#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3b n ARG 14 N 0.00 -1.24 0.28 5.56 1.74 -1.26 -4.82 116.66 116.92 3i3b n ARG 14 Ca 0.00 0.39 0.18 0.00 -0.77 0.00 0.00 57.85 57.66 3i3b n ARG 14 Cb 0.00 -3.91 0.84 0.00 -1.02 0.00 0.00 32.46 28.37 3i3b n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3i3b h ASP 15 N -2.01 0.00 0.00 0.55 3.32 -1.94 -2.26 116.42 114.07 3i3b h ASP 15 Ca -0.67 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.38 3i3b h ASP 15 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 3i3b h ASP 15 CO 0.50 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.35 3i3b n TRP 16 N -2.98 0.00 -2.39 4.55 2.14 -1.26 -2.85 117.44 114.66 3i3b n TRP 16 Ca -0.01 0.00 -0.05 0.00 2.07 0.00 0.00 57.50 59.51 3i3b n TRP 16 Cb 0.21 0.00 0.06 0.00 -0.81 0.00 0.00 31.31 30.77 3i3b n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3i3b n GLU 17 N -0.70 1.89 -3.48 -2.67 1.02 -0.85 -0.31 120.64 115.54 3i3b n GLU 17 Ca 0.09 -3.37 -0.23 0.00 -0.02 0.00 0.00 57.16 53.64 3i3b n GLU 17 Cb 0.04 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 29.86 3i3b n GLU 17 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3i3b s ASN 18 N -3.33 2.43 0.28 1.62 3.84 -1.13 -4.68 114.94 113.96 3i3b s ASN 18 Ca 0.36 -0.91 0.20 0.00 0.21 0.00 0.00 52.86 52.73 3i3b s ASN 18 Cb 0.36 0.11 1.03 0.00 -0.55 0.00 0.00 41.25 42.20 3i3b s ASN 18 CO -0.05 -0.40 1.61 -0.81 -2.79 0.00 0.00 177.10 174.66 3i3b n PRO 19 N 5.29 0.14 0.14 0.43 -0.04 -1.26 -1.02 135.00 138.67 3i3b n PRO 19 Ca -0.04 0.58 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 3i3b n PRO 19 Cb 0.45 -1.90 0.33 0.00 -0.04 0.00 0.00 33.50 32.35 3i3b n PRO 19 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3i3b h GLY 20 N 0.50 0.00 -7.57 0.55 0.00 -1.93 -3.39 103.07 91.22 3i3b h GLY 20 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 3i3b h GLY 20 CO 0.00 0.00 -0.62 0.14 0.00 0.00 0.00 176.54 176.06 3i3b s VAL 21 N -3.13 2.82 -2.09 4.60 1.01 -0.19 -4.91 120.40 118.51 3i3b s VAL 21 Ca 0.10 -2.30 0.18 0.00 0.00 0.00 0.00 61.98 59.96 3i3b s VAL 21 Cb 0.10 -2.99 0.22 0.00 0.00 0.00 0.00 36.38 33.72 3i3b s VAL 21 CO 0.62 -0.67 1.15 0.35 0.00 0.00 0.00 175.10 176.55 3i3b n THR 22 N 4.31 0.22 0.00 3.92 -2.24 -1.26 -4.79 114.28 114.44 3i3b n THR 22 Ca 0.01 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3i3b n THR 22 Cb 0.41 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 3i3b n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3b n GLN 23 N 1.05 0.00 -3.62 -0.78 -0.00 -1.26 -1.87 117.38 110.90 3i3b n GLN 23 Ca 0.12 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 56.97 3i3b n GLN 23 Cb 0.47 0.00 -0.14 0.00 -0.00 0.00 0.00 30.24 30.58 3i3b n GLN 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3i3b s LEU 24 N 0.00 -0.22 -1.32 2.61 1.43 0.30 -4.86 118.68 116.62 3i3b s LEU 24 Ca 0.00 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3i3b s LEU 24 Cb 0.00 0.55 0.00 0.00 0.03 0.00 0.00 46.19 46.77 3i3b s LEU 24 CO 0.00 -0.26 0.00 0.59 0.23 0.00 0.00 176.35 176.91 3i3b n ASN 25 N 5.34 -4.45 -4.75 2.29 3.02 -1.26 -1.71 115.26 113.75 3i3b n ASN 25 Ca -0.06 0.21 -0.40 0.00 -0.03 0.00 0.00 54.58 54.31 3i3b n ASN 25 Cb 0.50 -3.30 -0.06 0.00 -0.61 0.00 0.00 39.78 36.32 3i3b n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3i3b s ARG 26 N -3.65 4.77 0.72 3.52 3.52 -1.26 -4.61 118.95 121.96 3i3b s ARG 26 Ca 0.00 1.43 -0.11 0.00 -0.13 0.00 0.00 55.73 56.92 3i3b s ARG 26 Cb 0.00 -3.31 0.03 0.00 -1.56 0.00 0.00 34.95 30.11 3i3b s ARG 26 CO 0.00 0.44 1.07 -0.51 -0.81 0.00 0.00 175.30 175.49 3i3b s LEU 27 N -0.82 3.10 0.58 -0.88 1.43 0.66 -5.00 118.68 117.76 3i3b s LEU 27 Ca 0.42 1.71 -0.19 0.00 -1.03 0.00 0.00 54.13 55.03 3i3b s LEU 27 Cb -0.25 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.43 3i3b s LEU 27 CO 0.30 -1.67 1.21 0.00 0.23 0.00 0.00 176.35 176.43 3i3b s ALA 28 N -2.97 2.57 0.57 4.21 0.00 -1.26 -4.65 121.76 120.23 3i3b s ALA 28 Ca 0.59 1.02 -0.17 0.00 0.00 0.00 0.00 51.96 53.40 3i3b s ALA 28 Cb -0.15 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 3i3b s ALA 28 CO 0.55 -1.14 1.06 0.00 0.00 0.00 0.00 175.76 176.23 3i3b s ALA 29 N -1.58 2.76 0.14 0.00 0.00 -1.26 -4.99 121.76 116.82 3i3b s ALA 29 Ca 0.77 0.48 -0.25 0.00 0.00 0.00 0.00 51.96 52.95 3i3b s ALA 29 Cb -0.30 -3.25 0.07 0.00 0.00 0.00 0.00 23.12 19.63 3i3b s ALA 29 CO 0.33 -0.71 0.94 -3.38 0.00 0.00 0.00 175.76 172.94 3i3b s HIS 30 N -2.30 -0.17 0.89 0.00 -3.43 -1.26 -4.88 115.29 104.15 3i3b s HIS 30 Ca 0.65 -0.12 -0.11 0.00 -0.80 0.00 0.00 55.06 54.68 3i3b s HIS 30 Cb -0.17 0.63 0.13 0.00 -1.43 0.00 0.00 32.58 31.73 3i3b s HIS 30 CO 0.32 -0.80 1.09 -2.14 -2.00 0.00 0.00 174.74 171.22 3i3b s PRO 31 N -3.28 1.30 -0.01 -0.38 0.02 -1.14 -4.31 135.00 127.20 3i3b s PRO 31 Ca 0.11 0.86 -0.36 0.00 0.02 0.00 0.00 61.00 61.64 3i3b s PRO 31 Cb -0.01 -1.81 -0.14 0.00 0.02 0.00 0.00 34.50 32.55 3i3b s PRO 31 CO 0.01 -2.22 1.65 -2.30 -0.33 0.00 0.00 177.00 173.80 3i3b n PRO 32 N -3.88 1.78 -4.31 5.54 -0.02 -1.26 -4.99 135.00 127.86 3i3b n PRO 32 Ca 0.07 0.65 -0.27 0.00 -2.02 0.00 0.00 63.50 61.93 3i3b n PRO 32 Cb 0.55 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.54 3i3b n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3i3b s PHE 33 N 2.24 2.58 0.00 6.00 0.08 -1.26 -4.78 117.98 122.85 3i3b s PHE 33 Ca 0.88 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.68 3i3b s PHE 33 Cb -0.81 -1.26 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 3i3b s PHE 33 CO 0.49 0.52 0.00 0.00 -0.10 0.00 0.00 175.22 176.12 3i3b n ALA 34 N 0.04 0.02 -3.91 5.36 0.00 -1.26 -5.05 120.51 115.71 3i3b n ALA 34 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 3i3b n ALA 34 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 3i3b n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i3b n SER 35 N -0.01 -2.07 -4.77 0.00 2.88 -1.26 -4.22 113.62 104.17 3i3b n SER 35 Ca 0.00 -1.06 -0.40 0.00 -1.33 0.00 0.00 58.87 56.08 3i3b n SER 35 Cb 0.00 -2.89 -0.00 0.00 -0.75 0.00 0.00 64.21 60.57 3i3b n SER 35 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3i3b s TRP 36 N -3.80 2.72 -0.64 0.66 0.51 -0.72 -4.64 118.94 113.03 3i3b s TRP 36 Ca 0.19 1.33 0.11 0.00 -2.12 0.00 0.00 56.10 55.61 3i3b s TRP 36 Cb -0.08 -3.80 0.33 0.00 -0.81 0.00 0.00 33.47 29.11 3i3b s TRP 36 CO 0.90 -2.43 1.27 0.54 -0.51 0.00 0.00 176.95 176.71 3i3b n ARG 37 N 0.20 2.86 -3.67 4.98 5.12 -1.26 -0.51 116.66 124.38 3i3b n ARG 37 Ca 0.03 -2.20 -0.23 0.00 -1.93 0.00 0.00 57.85 53.52 3i3b n ARG 37 Cb 0.42 -1.38 -0.17 0.00 -1.16 0.00 0.00 32.46 30.16 3i3b n ARG 37 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3i3b s ASN 38 N -1.27 1.79 0.40 0.55 3.84 -1.26 -4.95 114.94 114.04 3i3b s ASN 38 Ca 0.26 -0.27 0.13 0.00 0.21 0.00 0.00 52.86 53.19 3i3b s ASN 38 Cb 0.16 -0.26 0.97 0.00 -0.55 0.00 0.00 41.25 41.57 3i3b s ASN 38 CO 0.12 -0.28 1.89 0.28 -2.79 0.00 0.00 177.10 176.32 3i3b h SER 39 N 8.40 0.50 -0.08 -4.21 0.02 -1.98 -1.99 113.55 114.21 3i3b h SER 39 Ca -0.15 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.71 3i3b h SER 39 Cb 1.13 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3i3b h SER 39 CO 0.23 0.24 -0.39 -0.08 -1.14 0.00 0.00 176.83 175.70 3i3b h GLU 40 N 0.52 0.59 -0.17 3.45 4.57 -1.99 -1.91 114.58 119.65 3i3b h GLU 40 Ca 0.42 -0.30 -0.10 0.00 -1.18 0.00 0.00 59.36 58.20 3i3b h GLU 40 Cb 0.87 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 3i3b h GLU 40 CO -0.17 0.89 -0.33 0.93 -1.18 0.00 0.00 179.01 179.15 3i3b h GLU 41 N 0.49 0.35 -0.23 1.92 4.39 -1.75 -1.96 114.58 117.78 3i3b h GLU 41 Ca 0.04 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 3i3b h GLU 41 Cb 0.89 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 3i3b h GLU 41 CO 0.08 0.64 -0.33 0.00 -1.16 0.00 0.00 179.01 178.24 3i3b h ALA 42 N 1.35 0.34 -0.14 3.43 0.00 -1.32 0.13 119.26 123.06 3i3b h ALA 42 Ca 0.04 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3i3b h ALA 42 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3i3b h ALA 42 CO 0.06 0.39 0.08 -0.09 0.00 0.00 0.00 179.25 179.69 3i3b h ARG 43 N 0.32 0.19 0.00 0.00 2.43 -1.18 -2.04 114.38 114.11 3i3b h ARG 43 Ca 0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i3b h ARG 43 Cb 0.91 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3i3b h ARG 43 CO 0.08 0.20 0.00 0.25 -1.51 0.00 0.00 179.97 178.99 3i3b n THR 44 N -4.95 0.18 -3.03 0.20 -2.24 -0.75 -4.89 114.28 98.79 3i3b n THR 44 Ca -0.05 0.04 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 3i3b n THR 44 Cb 0.07 -0.63 0.03 0.00 -2.10 0.00 0.00 70.33 67.69 3i3b n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i3b n ASP 45 N -1.25 -5.85 -4.86 3.42 2.03 -0.50 -4.99 116.55 104.56 3i3b n ASP 45 Ca 0.13 -0.28 -0.28 0.00 0.52 0.00 0.00 54.79 54.88 3i3b n ASP 45 Cb 0.18 -4.74 0.09 0.00 -0.72 0.00 0.00 41.12 35.93 3i3b n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3i3b s ARG 46 N -5.71 1.96 0.62 -0.67 0.52 -0.08 -5.02 118.95 110.56 3i3b s ARG 46 Ca 0.30 -0.07 -0.19 0.00 -0.52 0.00 0.00 55.73 55.25 3i3b s ARG 46 Cb -0.14 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.27 3i3b s ARG 46 CO 0.37 -1.52 1.17 -2.30 0.02 0.00 0.00 175.30 173.04 3i3b n PRO 47 N -3.20 1.09 -4.66 3.54 -0.02 -1.26 -4.77 135.00 125.73 3i3b n PRO 47 Ca 0.09 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.66 3i3b n PRO 47 Cb 0.61 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 31.55 3i3b n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i3b s SER 48 N -1.27 3.96 0.00 2.55 0.15 -1.26 -4.98 113.70 112.84 3i3b s SER 48 Ca 0.79 -0.36 0.14 0.00 0.70 0.00 0.00 55.95 57.21 3i3b s SER 48 Cb -0.40 -1.61 0.71 0.00 -1.71 0.00 0.00 66.02 63.01 3i3b s SER 48 CO 0.44 0.13 1.36 0.00 1.20 0.00 0.00 173.24 176.38 3i3b n GLN 49 N 3.73 0.21 0.00 5.44 6.02 -1.26 -1.80 117.38 129.72 3i3b n GLN 49 Ca -0.18 0.15 0.13 0.00 -0.01 0.00 0.00 57.00 57.08 3i3b n GLN 49 Cb 0.52 -1.50 0.29 0.00 1.02 0.00 0.00 30.24 30.58 3i3b n GLN 49 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3i3b n GLN 50 N -1.27 1.73 -3.98 -1.09 1.13 -1.26 -4.74 117.38 107.89 3i3b n GLN 50 Ca 0.07 -1.24 -0.31 0.00 -1.94 0.00 0.00 57.00 53.58 3i3b n GLN 50 Cb 0.11 -1.47 -0.15 0.00 0.11 0.00 0.00 30.24 28.83 3i3b n GLN 50 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3i3b s LEU 51 N -2.13 3.21 -0.01 1.08 2.96 -0.75 -0.34 118.68 122.70 3i3b s LEU 51 Ca 0.30 -1.44 0.00 0.00 -0.22 0.00 0.00 54.13 52.77 3i3b s LEU 51 Cb 0.20 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 3i3b s LEU 51 CO 0.38 -0.26 0.04 -0.13 -1.32 0.00 0.00 176.35 175.06 3i3b s ARG 52 N 1.23 2.93 -0.15 1.98 0.52 0.53 -4.75 118.95 121.23 3i3b s ARG 52 Ca -0.03 -0.53 -0.12 0.00 -0.52 0.00 0.00 55.73 54.53 3i3b s ARG 52 Cb -0.19 -2.77 -0.05 0.00 0.52 0.00 0.00 34.95 32.46 3i3b s ARG 52 CO -0.07 0.64 0.23 0.45 0.02 0.00 0.00 175.30 176.57 3i3b s SER 53 N -1.56 6.39 -0.13 0.23 0.15 -1.26 -0.72 113.70 116.81 3i3b s SER 53 Ca 0.20 0.46 0.17 0.00 0.70 0.00 0.00 55.95 57.48 3i3b s SER 53 Cb -0.12 -2.14 0.65 0.00 -1.71 0.00 0.00 66.02 62.71 3i3b s SER 53 CO 0.11 0.20 1.57 0.18 1.20 0.00 0.00 173.24 176.50 3i3b n LEU 54 N 3.11 4.52 -4.77 3.45 4.77 0.40 -4.94 117.00 123.54 3i3b n LEU 54 Ca -0.15 -2.55 -0.37 0.00 -0.03 0.00 0.00 56.01 52.91 3i3b n LEU 54 Cb 0.53 -0.54 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3i3b n LEU 54 CO 0.37 0.76 0.86 0.20 -1.33 0.00 0.00 177.39 178.25 3i3b s ASN 55 N -1.09 6.05 0.00 -1.43 -0.87 -1.25 -4.85 114.94 111.51 3i3b s ASN 55 Ca 0.47 2.39 0.00 0.00 -1.57 0.00 0.00 52.86 54.15 3i3b s ASN 55 Cb 0.32 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.94 3i3b s ASN 55 CO 0.20 -1.00 0.00 0.61 -2.57 0.00 0.00 177.10 174.33 3i3b n GLY 56 N 0.50 0.56 3.66 0.66 0.00 -0.59 -5.00 105.19 104.98 3i3b n GLY 56 Ca 0.07 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 3i3b n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i3b s GLU 57 N -2.00 4.27 0.46 1.61 2.02 -1.26 -0.96 118.70 122.84 3i3b s GLU 57 Ca 0.00 1.19 0.05 0.00 0.02 0.00 0.00 54.97 56.22 3i3b s GLU 57 Cb 0.00 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.58 3i3b s GLU 57 CO 0.00 -0.50 0.07 -1.58 0.02 0.00 0.00 175.26 173.27 3i3b s TRP 58 N 2.74 2.21 -0.19 1.61 0.52 0.43 -4.91 118.94 121.34 3i3b s TRP 58 Ca 0.41 -0.78 -0.08 0.00 0.02 0.00 0.00 56.10 55.67 3i3b s TRP 58 Cb -0.16 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.36 3i3b s TRP 58 CO 0.09 0.24 0.07 1.03 0.02 0.00 0.00 176.95 178.41 3i3b s ARG 59 N -3.86 3.99 0.04 4.98 1.81 -0.01 -1.36 118.95 124.54 3i3b s ARG 59 Ca 0.25 -0.33 0.05 0.00 -1.72 0.00 0.00 55.73 53.97 3i3b s ARG 59 Cb 0.05 -3.26 -0.02 0.00 -0.45 0.00 0.00 34.95 31.27 3i3b s ARG 59 CO 0.13 0.25 -0.13 0.12 -0.68 0.00 0.00 175.30 174.99 3i3b s PHE 60 N 0.45 1.17 -0.12 -0.53 5.36 0.22 -0.98 117.98 123.54 3i3b s PHE 60 Ca 0.04 -0.35 -0.06 0.00 -0.96 0.00 0.00 56.93 55.60 3i3b s PHE 60 Cb -0.12 -0.70 0.05 0.00 -0.34 0.00 0.00 43.02 41.91 3i3b s PHE 60 CO 0.00 0.03 0.27 0.00 -1.46 0.00 0.00 175.22 174.06 3i3b s ALA 61 N -0.85 -0.64 -0.03 11.12 0.00 -0.59 -0.14 121.76 130.64 3i3b s ALA 61 Ca 0.01 1.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 3i3b s ALA 61 Cb -0.08 -0.69 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 3i3b s ALA 61 CO 0.01 -0.22 0.31 -0.46 0.00 0.00 0.00 175.76 175.41 3i3b s TRP 62 N 1.30 3.66 0.02 0.00 -0.00 -1.26 -0.20 118.94 122.45 3i3b s TRP 62 Ca -0.09 0.79 0.01 0.00 -0.00 0.00 0.00 56.10 56.81 3i3b s TRP 62 Cb -0.10 -2.14 -0.01 0.00 -0.00 0.00 0.00 33.47 31.21 3i3b s TRP 62 CO -0.09 0.66 -0.05 -0.06 -0.00 0.00 0.00 176.95 177.41 3i3b s PHE 63 N -1.12 0.42 0.29 5.86 0.08 0.62 -4.99 117.98 119.14 3i3b s PHE 63 Ca 0.22 -0.28 0.32 0.00 0.12 0.00 0.00 56.93 57.31 3i3b s PHE 63 Cb -0.15 -0.26 1.47 0.00 -0.57 0.00 0.00 43.02 43.51 3i3b s PHE 63 CO 0.11 -0.06 2.04 -1.00 -0.10 0.00 0.00 175.22 176.21 3i3b h PRO 64 N 5.32 0.00 -2.79 0.24 0.13 -1.86 0.42 132.00 133.46 3i3b h PRO 64 Ca -0.30 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 3i3b h PRO 64 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 3i3b h PRO 64 CO 0.46 0.08 0.18 0.00 -0.23 0.00 0.00 178.00 178.49 3i3b s ALA 65 N -3.89 -1.59 0.54 -0.56 0.00 -1.24 -2.10 121.76 112.92 3i3b s ALA 65 Ca -0.01 0.65 0.23 0.00 0.00 0.00 0.00 51.96 52.83 3i3b s ALA 65 Cb 0.11 0.66 1.53 0.00 0.00 0.00 0.00 23.12 25.42 3i3b s ALA 65 CO 0.55 -0.66 2.18 -1.00 0.00 0.00 0.00 175.76 176.83 3i3b h PRO 66 N 2.28 0.00 0.00 0.00 0.13 -1.87 -1.67 132.00 130.87 3i3b h PRO 66 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3i3b h PRO 66 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3i3b h PRO 66 CO 0.39 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 179.11 3i3b h GLU 67 N 0.00 0.00 -0.20 0.86 3.07 -1.94 -2.65 114.58 113.71 3i3b h GLU 67 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i3b h GLU 67 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3i3b h GLU 67 CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 3i3b n ALA 68 N -1.99 2.49 -2.60 3.43 0.00 -0.63 -4.84 120.51 116.37 3i3b n ALA 68 Ca 0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 53.44 52.37 3i3b n ALA 68 Cb 0.24 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 3i3b n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i3b s VAL 69 N -1.75 4.57 0.13 0.00 1.01 -1.00 -5.00 120.40 118.35 3i3b s VAL 69 Ca 0.34 1.15 -0.31 0.00 0.00 0.00 0.00 61.98 63.16 3i3b s VAL 69 Cb 0.19 -4.34 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 3i3b s VAL 69 CO 0.28 -0.57 1.38 -2.16 0.00 0.00 0.00 175.10 174.03 3i3b s PRO 70 N 3.51 4.33 0.65 2.72 0.04 -1.26 -4.90 135.00 140.09 3i3b s PRO 70 Ca 0.38 2.07 0.35 0.00 0.04 0.00 0.00 61.00 63.84 3i3b s PRO 70 Cb -0.12 -3.24 1.90 0.00 0.04 0.00 0.00 34.50 33.08 3i3b s PRO 70 CO 0.19 -0.41 2.11 0.93 0.04 0.00 0.00 177.00 179.87 3i3b h GLU 71 N 6.61 0.00 0.00 4.56 4.39 -1.98 -0.45 114.58 127.71 3i3b h GLU 71 Ca -0.42 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 3i3b h GLU 71 Cb 1.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3i3b h GLU 71 CO 0.85 0.00 -0.00 0.66 -1.16 0.00 0.00 179.01 179.36 3i3b h SER 72 N 0.00 0.00 -0.11 1.42 4.64 -1.93 -0.76 113.55 116.81 3i3b h SER 72 Ca 0.03 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.38 3i3b h SER 72 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3i3b h SER 72 CO -0.00 0.00 0.08 -0.25 -0.87 0.00 0.00 176.83 175.79 3i3b h TRP 73 N 0.00 0.00 -0.47 4.77 7.01 -1.22 -1.36 115.95 124.68 3i3b h TRP 73 Ca -0.00 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 3i3b h TRP 73 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 3i3b h TRP 73 CO 0.00 0.00 -0.08 -0.07 -2.79 0.00 0.00 178.44 175.50 3i3b h LEU 74 N 0.00 0.84 0.10 0.65 3.38 -1.32 -3.28 115.31 115.68 3i3b h LEU 74 Ca 0.05 -0.25 -0.32 0.00 0.09 0.00 0.00 57.88 57.46 3i3b h LEU 74 Cb 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3i3b h LEU 74 CO -0.00 0.95 -1.64 -0.33 0.09 0.00 0.00 178.44 177.51 3i3b h GLU 75 N 0.77 0.22 -3.15 1.13 4.39 -1.46 -3.29 114.58 113.19 3i3b h GLU 75 Ca 0.13 -0.38 -0.04 0.00 0.34 0.00 0.00 59.36 59.42 3i3b h GLU 75 Cb 0.58 0.14 -0.13 0.00 -0.10 0.00 0.00 28.75 29.24 3i3b h GLU 75 CO 0.04 1.05 0.06 0.00 -1.16 0.00 0.00 179.01 179.00 3i3b n ASP 77 N -0.22 1.96 -4.65 0.00 2.03 -1.26 -4.12 116.55 110.28 3i3b n ASP 77 Ca -0.17 1.14 -0.41 0.00 0.52 0.00 0.00 54.79 55.87 3i3b n ASP 77 Cb 0.64 -1.31 -0.05 0.00 -0.72 0.00 0.00 41.12 39.68 3i3b n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3i3b s LEU 78 N 0.44 4.11 0.58 -2.67 1.43 -1.26 -4.94 118.68 116.36 3i3b s LEU 78 Ca 0.72 0.94 0.32 0.00 -1.03 0.00 0.00 54.13 55.08 3i3b s LEU 78 Cb -0.77 -3.05 1.39 0.00 0.03 0.00 0.00 46.19 43.79 3i3b s LEU 78 CO 0.51 -0.39 1.72 -0.65 0.23 0.00 0.00 176.35 177.76 3i3b h PRO 79 N 7.59 0.00 0.01 1.29 0.11 -2.02 0.03 132.00 139.01 3i3b h PRO 79 Ca -0.27 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.63 3i3b h PRO 79 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3i3b h PRO 79 CO 0.82 0.00 -0.96 0.93 -0.21 0.00 0.00 178.00 178.58 3i3b h GLU 80 N 0.00 0.03 -6.63 1.05 3.07 -1.97 -3.46 114.58 106.68 3i3b h GLU 80 Ca 0.42 -0.05 -0.57 0.00 -0.50 0.00 0.00 59.36 58.66 3i3b h GLU 80 Cb 2.03 0.02 0.18 0.00 -0.84 0.00 0.00 28.75 30.13 3i3b h GLU 80 CO -0.00 0.96 -0.30 0.00 -1.40 0.00 0.00 179.01 178.27 3i3b n ALA 81 N -2.38 -1.04 -2.31 3.43 0.00 -0.00 -4.99 120.51 113.22 3i3b n ALA 81 Ca -0.01 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.10 3i3b n ALA 81 Cb 0.89 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 3i3b n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i3b s ASP 82 N -1.31 4.79 -0.21 0.00 1.01 0.81 -4.86 116.67 116.91 3i3b s ASP 82 Ca 0.69 -0.95 -0.08 0.00 0.71 0.00 0.00 52.55 52.92 3i3b s ASP 82 Cb -0.40 -0.31 -0.04 0.00 1.01 0.00 0.00 42.92 43.18 3i3b s ASP 82 CO 0.54 -0.74 0.09 -0.89 0.21 0.00 0.00 175.17 174.38 3i3b s THR 83 N -2.58 4.91 0.05 -1.27 2.01 -1.26 -0.61 115.64 116.89 3i3b s THR 83 Ca 0.43 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.43 3i3b s THR 83 Cb -0.01 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 3i3b s THR 83 CO 0.25 0.41 -0.01 0.68 -0.69 0.00 0.00 174.62 175.27 3i3b s VAL 84 N 0.73 0.21 0.38 3.82 -7.23 -0.47 -4.95 120.40 112.89 3i3b s VAL 84 Ca 0.05 -1.70 -0.24 0.00 -1.81 0.00 0.00 61.98 58.27 3i3b s VAL 84 Cb -0.13 -1.44 -0.10 0.00 0.56 0.00 0.00 36.38 35.27 3i3b s VAL 84 CO 0.02 -0.94 1.00 -0.69 -0.31 0.00 0.00 175.10 174.17 3i3b s VAL 85 N -3.79 4.01 -0.01 1.32 1.01 -1.26 -0.43 120.40 121.25 3i3b s VAL 85 Ca 0.06 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.56 3i3b s VAL 85 Cb 0.07 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3i3b s VAL 85 CO -0.10 -0.01 -0.01 -0.69 0.00 0.00 0.00 175.10 174.30 3i3b s VAL 86 N -1.74 0.12 0.76 2.92 1.01 -0.13 -4.30 120.40 119.03 3i3b s VAL 86 Ca 0.56 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 3i3b s VAL 86 Cb -0.18 -0.13 0.05 0.00 0.00 0.00 0.00 36.38 36.12 3i3b s VAL 86 CO 0.24 0.05 1.12 -2.16 0.00 0.00 0.00 175.10 174.35 3i3b s PRO 87 N 0.17 2.17 0.00 2.72 0.04 -1.26 -1.55 135.00 137.30 3i3b s PRO 87 Ca -0.01 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.40 3i3b s PRO 87 Cb -0.03 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3i3b s PRO 87 CO -0.00 -1.73 0.00 -1.13 0.04 0.00 0.00 177.00 174.17 3i3b n SER 88 N -3.23 0.00 -4.68 6.66 3.41 0.07 -4.92 113.62 110.92 3i3b n SER 88 Ca 0.10 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.35 3i3b n SER 88 Cb 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 3i3b n SER 88 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3i3b s ASN 89 N 0.00 6.15 0.38 4.04 -0.87 -1.26 -3.40 114.94 119.97 3i3b s ASN 89 Ca 0.00 0.16 0.26 0.00 -1.57 0.00 0.00 52.86 51.70 3i3b s ASN 89 Cb 0.00 -2.10 1.35 0.00 -0.02 0.00 0.00 41.25 40.48 3i3b s ASN 89 CO 0.00 0.10 1.79 4.11 -2.57 0.00 0.00 177.10 180.54 3i3b h TRP 90 N 7.23 0.00 0.00 2.20 0.09 -1.83 0.22 115.95 123.86 3i3b h TRP 90 Ca -0.39 0.00 -0.10 0.00 0.09 0.00 0.00 58.89 58.49 3i3b h TRP 90 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.39 3i3b h TRP 90 CO 0.64 0.00 -0.47 1.96 0.09 0.00 0.00 178.44 180.66 3i3b h GLN 91 N 0.00 0.00 0.00 0.12 7.50 -1.79 -2.39 115.11 118.55 3i3b h GLN 91 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3i3b h GLN 91 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.60 3i3b h GLN 91 CO 0.00 0.47 0.00 -1.33 -1.50 0.00 0.00 178.83 176.47 3i3b n MET 92 N -3.91 0.07 0.00 1.46 2.81 0.07 -2.08 117.12 115.53 3i3b n MET 92 Ca -0.01 0.15 0.11 0.00 -1.81 0.00 0.00 57.70 56.14 3i3b n MET 92 Cb 0.50 -1.60 0.03 0.00 -0.71 0.00 0.00 33.22 31.44 3i3b n MET 92 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3i3b n HIS 93 N -1.72 0.00 -0.65 2.03 8.25 -0.93 -4.98 115.22 117.22 3i3b n HIS 93 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3i3b n HIS 93 Cb 0.30 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 3i3b n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i3b n GLY 94 N 1.40 0.62 0.15 -1.41 0.00 -0.88 -4.97 105.19 100.10 3i3b n GLY 94 Ca 0.10 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 3i3b n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3i3b h TYR 95 N 0.00 0.13 -2.87 1.61 0.05 -1.68 -3.47 116.97 110.74 3i3b h TYR 95 Ca 0.00 -0.05 0.04 0.00 0.05 0.00 0.00 58.73 58.77 3i3b h TYR 95 Cb 0.00 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 3i3b h TYR 95 CO 0.00 0.70 0.34 0.16 -1.05 0.00 0.00 178.16 178.31 3i3b s ASP 96 N -6.87 -0.05 0.11 3.88 1.47 -1.26 -5.05 116.67 108.90 3i3b s ASP 96 Ca -0.02 -0.92 -0.22 0.00 1.18 0.00 0.00 52.55 52.57 3i3b s ASP 96 Cb 0.12 0.74 -0.07 0.00 -0.34 0.00 0.00 42.92 43.37 3i3b s ASP 96 CO 0.78 -1.45 0.66 0.00 0.68 0.00 0.00 175.17 175.84 3i3b s ALA 97 N -2.62 3.53 0.38 2.11 0.00 -1.26 -4.47 121.76 119.42 3i3b s ALA 97 Ca 0.16 0.18 -0.24 0.00 0.00 0.00 0.00 51.96 52.05 3i3b s ALA 97 Cb -0.05 -2.78 -0.10 0.00 0.00 0.00 0.00 23.12 20.20 3i3b s ALA 97 CO 0.09 0.34 0.97 -1.25 0.00 0.00 0.00 175.76 175.91 3i3b s PRO 98 N -1.08 4.35 -0.13 0.00 0.04 -1.26 -5.00 135.00 131.92 3i3b s PRO 98 Ca 0.32 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.66 3i3b s PRO 98 Cb -0.21 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.81 3i3b s PRO 98 CO 0.22 0.07 -0.16 0.42 0.04 0.00 0.00 177.00 177.59 3i3b s ILE 99 N -1.83 2.76 -0.42 0.56 1.01 -1.03 -4.65 121.20 117.61 3i3b s ILE 99 Ca 0.56 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 60.40 3i3b s ILE 99 Cb -0.16 -2.14 0.10 0.00 0.01 0.00 0.00 42.46 40.27 3i3b s ILE 99 CO 0.21 0.53 0.23 -0.47 0.00 0.00 0.00 174.94 175.44 3i3b s TYR 100 N 0.44 3.49 0.05 3.97 5.04 -1.26 0.79 117.35 129.87 3i3b s TYR 100 Ca -0.12 -2.12 0.07 0.00 -2.44 0.00 0.00 57.07 52.46 3i3b s TYR 100 Cb -0.16 -3.18 -0.02 0.00 0.35 0.00 0.00 41.96 38.94 3i3b s TYR 100 CO 0.05 -0.95 -0.19 -0.08 -1.34 0.00 0.00 175.55 173.04 3i3b s THR 101 N 1.24 1.52 0.00 4.34 -1.32 -1.26 -1.61 115.64 118.55 3i3b s THR 101 Ca 0.06 -1.17 0.00 0.00 -1.21 0.00 0.00 61.69 59.37 3i3b s THR 101 Cb -0.23 -1.34 0.00 0.00 -1.51 0.00 0.00 72.50 69.42 3i3b s THR 101 CO -0.02 0.13 0.00 -3.20 -2.21 0.00 0.00 174.62 169.32 3i3b n ASN 102 N 1.80 0.00 -0.10 8.08 5.15 -1.26 -3.95 115.26 124.98 3i3b n ASN 102 Ca -0.18 0.02 -0.24 0.00 -0.60 0.00 0.00 54.58 53.59 3i3b n ASN 102 Cb 0.54 -0.03 -0.11 0.00 -0.53 0.00 0.00 39.78 39.64 3i3b n ASN 102 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3i3b n VAL 103 N -1.02 1.56 -1.81 3.44 0.31 -1.26 -3.99 118.33 115.57 3i3b n VAL 103 Ca 0.00 -0.22 -0.42 0.00 -0.01 0.00 0.00 64.34 63.69 3i3b n VAL 103 Cb 0.00 -1.94 -0.03 0.00 -0.91 0.00 0.00 33.84 30.96 3i3b n VAL 103 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3i3b s THR 104 N -2.43 2.89 0.36 2.52 2.01 -1.26 -3.12 115.64 116.61 3i3b s THR 104 Ca -0.31 0.25 -0.27 0.00 0.31 0.00 0.00 61.69 61.67 3i3b s THR 104 Cb 0.09 -3.16 -0.12 0.00 0.01 0.00 0.00 72.50 69.32 3i3b s THR 104 CO 0.58 -0.01 1.23 -1.22 -0.69 0.00 0.00 174.62 174.51 3i3b n TYR 105 N 6.13 2.02 0.78 4.92 4.01 -1.26 -4.85 117.16 128.91 3i3b n TYR 105 Ca 0.17 0.56 0.08 0.00 -0.16 0.00 0.00 57.90 58.56 3i3b n TYR 105 Cb 0.40 -2.37 0.42 0.00 -0.31 0.00 0.00 39.34 37.48 3i3b n TYR 105 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3i3b n PRO 106 N 0.41 0.22 -4.28 -0.72 -0.04 -1.26 -4.69 135.00 124.64 3i3b n PRO 106 Ca 0.06 0.13 -0.19 0.00 -0.04 0.00 0.00 63.50 63.46 3i3b n PRO 106 Cb 0.37 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.22 3i3b n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i3b s ILE 107 N -2.60 1.52 0.25 0.52 -4.36 -1.26 -5.05 121.20 110.23 3i3b s ILE 107 Ca 0.15 -1.86 -0.30 0.00 -0.26 0.00 0.00 60.65 58.38 3i3b s ILE 107 Cb 0.11 -1.71 -0.14 0.00 1.25 0.00 0.00 42.46 41.98 3i3b s ILE 107 CO 0.26 -0.42 1.29 0.41 0.24 0.00 0.00 174.94 176.71 3i3b n THR 108 N 0.31 1.29 -2.57 8.37 -1.04 -1.26 -4.85 114.28 114.52 3i3b n THR 108 Ca -0.14 -0.32 -0.41 0.00 -2.04 0.00 0.00 64.05 61.14 3i3b n THR 108 Cb 0.58 -1.32 -0.03 0.00 -1.82 0.00 0.00 70.33 67.74 3i3b n THR 108 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i3b s VAL 109 N -0.42 3.80 -0.44 12.58 1.01 -1.26 -4.79 120.40 130.88 3i3b s VAL 109 Ca 0.65 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.80 3i3b s VAL 109 Cb -0.67 -4.94 0.30 0.00 0.00 0.00 0.00 36.38 31.06 3i3b s VAL 109 CO 0.54 -1.85 0.91 -3.20 0.00 0.00 0.00 175.10 171.50 3i3b n ASN 110 N 9.16 -1.61 -4.72 3.32 5.15 -1.26 -5.13 115.26 120.16 3i3b n ASN 110 Ca 0.09 -3.35 -0.41 0.00 -0.60 0.00 0.00 54.58 50.31 3i3b n ASN 110 Cb 0.49 1.13 0.01 0.00 -0.53 0.00 0.00 39.78 40.88 3i3b n ASN 110 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3i3b n PRO 111 N 0.82 2.15 -0.33 1.20 -0.04 -1.26 -1.00 135.00 136.54 3i3b n PRO 111 Ca 0.12 0.76 0.07 0.00 -0.04 0.00 0.00 63.50 64.41 3i3b n PRO 111 Cb 0.65 -2.45 0.23 0.00 -0.04 0.00 0.00 33.50 31.90 3i3b n PRO 111 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3i3b n PRO 112 N 0.22 2.48 -2.40 0.54 -0.04 -1.26 -5.11 135.00 129.43 3i3b n PRO 112 Ca 0.05 -1.87 -0.34 0.00 -0.04 0.00 0.00 63.50 61.31 3i3b n PRO 112 Cb 0.39 -1.53 -0.02 0.00 -0.04 0.00 0.00 33.50 32.30 3i3b n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i3b s PHE 113 N -1.52 2.99 0.27 0.54 0.08 -0.17 -4.26 117.98 115.90 3i3b s PHE 113 Ca 0.34 1.56 0.06 0.00 0.12 0.00 0.00 56.93 59.01 3i3b s PHE 113 Cb 0.20 -3.05 -0.06 0.00 -0.57 0.00 0.00 43.02 39.54 3i3b s PHE 113 CO 0.20 -0.92 -0.06 0.14 -0.10 0.00 0.00 175.22 174.48 3i3b s VAL 114 N -2.12 1.57 0.40 -0.44 -7.23 -1.26 -4.60 120.40 106.72 3i3b s VAL 114 Ca 0.66 -2.12 -0.26 0.00 -1.81 0.00 0.00 61.98 58.46 3i3b s VAL 114 Cb -0.16 -2.41 -0.10 0.00 0.56 0.00 0.00 36.38 34.26 3i3b s VAL 114 CO 0.25 -0.32 1.24 -2.65 -0.31 0.00 0.00 175.10 173.30 3i3b n PRO 115 N -0.55 1.89 0.19 4.82 -0.02 -1.26 -4.87 135.00 135.20 3i3b n PRO 115 Ca -0.06 0.67 0.04 0.00 -2.02 0.00 0.00 63.50 62.13 3i3b n PRO 115 Cb 0.63 -2.32 0.36 0.00 -0.02 0.00 0.00 33.50 32.15 3i3b n PRO 115 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3i3b h THR 116 N 2.12 1.11 -2.04 3.45 1.35 -1.99 -3.26 112.91 113.64 3i3b h THR 116 Ca -0.47 -1.41 -0.72 0.00 -0.55 0.00 0.00 66.41 63.27 3i3b h THR 116 Cb 1.30 1.80 -0.16 0.00 -1.73 0.00 0.00 68.15 69.35 3i3b h THR 116 CO 0.60 0.38 1.33 -0.70 -0.25 0.00 0.00 175.52 176.88 3i3b s GLU 117 N -3.93 3.95 -0.38 4.72 2.12 -1.26 -4.76 118.70 119.16 3i3b s GLU 117 Ca -0.02 -2.28 -0.03 0.00 0.36 0.00 0.00 54.97 53.00 3i3b s GLU 117 Cb 0.13 -5.09 0.09 0.00 0.26 0.00 0.00 34.13 29.52 3i3b s GLU 117 CO 0.70 -1.84 0.15 1.21 -0.54 0.00 0.00 175.26 174.95 3i3b s ASN 118 N 3.24 5.17 -0.33 -1.70 2.47 -0.89 -4.97 114.94 117.93 3i3b s ASN 118 Ca 0.42 -1.79 -0.44 0.00 0.42 0.00 0.00 52.86 51.46 3i3b s ASN 118 Cb -0.02 -1.80 -0.19 0.00 -1.45 0.00 0.00 41.25 37.78 3i3b s ASN 118 CO -0.02 -0.46 1.48 -2.65 -3.72 0.00 0.00 177.10 171.73 3i3b n PRO 119 N 4.61 0.18 -4.06 0.43 -0.02 -1.18 -3.60 135.00 131.36 3i3b n PRO 119 Ca -0.05 0.06 -0.34 0.00 -2.02 0.00 0.00 63.50 61.16 3i3b n PRO 119 Cb 0.42 -1.59 -0.15 0.00 -0.02 0.00 0.00 33.50 32.16 3i3b n PRO 119 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i3b s THR 120 N 2.25 2.43 -0.23 3.45 2.01 0.15 -1.73 115.64 123.97 3i3b s THR 120 Ca 1.00 -0.82 -0.10 0.00 0.31 0.00 0.00 61.69 62.08 3i3b s THR 120 Cb -1.38 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 3i3b s THR 120 CO 0.73 0.50 0.14 -0.83 -0.69 0.00 0.00 174.62 174.47 3i3b s GLY 121 N 1.34 1.97 -0.40 4.40 0.00 -0.08 -0.27 107.32 114.28 3i3b s GLY 121 Ca 0.05 -0.86 -0.08 0.00 0.00 0.00 0.00 44.72 43.84 3i3b s GLY 121 CO -0.10 0.32 0.22 0.00 0.00 0.00 0.00 173.10 173.54 3i3b s TYR 123 N 1.38 3.49 -0.12 0.00 1.51 -0.01 -1.54 117.35 122.06 3i3b s TYR 123 Ca 0.03 0.22 -0.29 0.00 -1.01 0.00 0.00 57.07 56.01 3i3b s TYR 123 Cb -0.22 -1.74 0.07 0.00 -0.11 0.00 0.00 41.96 39.96 3i3b s TYR 123 CO 0.01 0.51 0.71 -1.54 -1.11 0.00 0.00 175.55 174.13 3i3b s SER 124 N -2.99 -0.67 -0.05 2.29 1.04 -0.16 -0.43 113.70 112.74 3i3b s SER 124 Ca 0.36 0.92 -0.04 0.00 0.48 0.00 0.00 55.95 57.66 3i3b s SER 124 Cb -0.12 0.80 0.01 0.00 0.10 0.00 0.00 66.02 66.82 3i3b s SER 124 CO 0.28 -0.48 0.13 -0.22 0.98 0.00 0.00 173.24 173.92 3i3b s LEU 125 N -0.70 1.47 -0.17 2.42 2.96 -1.02 -0.83 118.68 122.81 3i3b s LEU 125 Ca -0.07 0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 54.01 3i3b s LEU 125 Cb -0.02 0.42 -0.05 0.00 0.50 0.00 0.00 46.19 47.05 3i3b s LEU 125 CO 0.07 -0.05 0.12 -0.89 -1.32 0.00 0.00 176.35 174.28 3i3b s THR 126 N 0.14 5.37 0.39 3.68 2.01 -1.26 -1.27 115.64 124.69 3i3b s THR 126 Ca -0.01 0.17 -0.14 0.00 0.31 0.00 0.00 61.69 62.02 3i3b s THR 126 Cb -0.02 -3.41 0.05 0.00 0.01 0.00 0.00 72.50 69.14 3i3b s THR 126 CO -0.00 0.50 0.76 0.72 -0.69 0.00 0.00 174.62 175.91 3i3b s PHE 127 N -0.11 0.23 0.09 4.92 -0.71 0.26 -4.94 117.98 117.72 3i3b s PHE 127 Ca 0.10 -0.87 -0.16 0.00 -1.04 0.00 0.00 56.93 54.96 3i3b s PHE 127 Cb -0.11 0.75 0.03 0.00 -1.21 0.00 0.00 43.02 42.48 3i3b s PHE 127 CO 0.00 -1.55 0.38 0.54 -1.34 0.00 0.00 175.22 173.25 3i3b s ASN 128 N -3.09 -0.21 0.29 1.98 2.20 -1.26 0.23 114.94 115.07 3i3b s ASN 128 Ca 0.17 -0.24 0.09 0.00 -0.94 0.00 0.00 52.86 51.94 3i3b s ASN 128 Cb -0.05 0.44 -0.04 0.00 -2.00 0.00 0.00 41.25 39.60 3i3b s ASN 128 CO 0.13 -0.77 0.03 0.68 -2.94 0.00 0.00 177.10 174.23 3i3b s VAL 129 N -3.31 3.33 0.89 3.54 -7.23 -1.26 -5.02 120.40 111.33 3i3b s VAL 129 Ca 0.00 -1.86 -0.12 0.00 -1.81 0.00 0.00 61.98 58.19 3i3b s VAL 129 Cb 0.01 -2.88 0.11 0.00 0.56 0.00 0.00 36.38 34.18 3i3b s VAL 129 CO -0.08 -0.32 1.02 -0.67 -0.31 0.00 0.00 175.10 174.74 3i3b n ASP 130 N -0.96 0.10 0.17 4.85 2.03 -1.26 -4.90 116.55 116.58 3i3b n ASP 130 Ca -0.06 0.46 -0.14 0.00 0.52 0.00 0.00 54.79 55.57 3i3b n ASP 130 Cb 0.60 -1.44 -0.08 0.00 -0.72 0.00 0.00 41.12 39.48 3i3b n ASP 130 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3i3b h GLU 131 N -1.51 -0.34 -0.06 -0.67 4.57 -2.01 -2.88 114.58 111.69 3i3b h GLU 131 Ca -0.44 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 57.78 3i3b h GLU 131 Cb 1.28 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.95 3i3b h GLU 131 CO 0.41 -0.23 0.11 0.66 -1.18 0.00 0.00 179.01 178.79 3i3b h SER 132 N -0.35 0.00 0.43 1.04 4.64 -1.96 -0.19 113.55 117.16 3i3b h SER 132 Ca -0.04 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.13 3i3b h SER 132 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3i3b h SER 132 CO 0.06 0.00 -0.64 -0.50 -0.87 0.00 0.00 176.83 174.87 3i3b h TRP 133 N 0.00 0.26 -0.02 4.77 4.06 -1.73 -2.31 115.95 120.98 3i3b h TRP 133 Ca 0.03 -0.11 -0.16 0.00 2.06 0.00 0.00 58.89 60.71 3i3b h TRP 133 Cb 0.25 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 3i3b h TRP 133 CO 0.00 0.79 -0.72 -0.07 -3.56 0.00 0.00 178.44 174.88 3i3b h LEU 134 N 0.14 0.16 0.22 -4.49 3.38 -1.06 -3.35 115.31 110.31 3i3b h LEU 134 Ca -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3i3b h LEU 134 Cb 1.16 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3i3b h LEU 134 CO 0.10 0.82 -0.11 1.56 0.09 0.00 0.00 178.44 180.90 3i3b h GLN 135 N 0.09 -0.29 -4.99 1.13 4.20 -1.20 -3.49 115.11 110.57 3i3b h GLN 135 Ca -0.02 0.02 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 3i3b h GLN 135 Cb 1.27 0.07 -0.14 0.00 0.30 0.00 0.00 27.48 28.98 3i3b h GLN 135 CO 0.10 -0.19 -0.54 -1.21 -0.67 0.00 0.00 178.83 176.32 3i3b s GLU 136 N -2.94 1.75 0.00 1.46 0.41 -0.89 -5.11 118.70 113.37 3i3b s GLU 136 Ca -0.04 -2.02 0.00 0.00 -0.41 0.00 0.00 54.97 52.49 3i3b s GLU 136 Cb 0.00 -0.37 0.00 0.00 -1.78 0.00 0.00 34.13 31.98 3i3b s GLU 136 CO 0.13 -0.44 0.00 0.41 -0.49 0.00 0.00 175.26 174.87 3i3b n GLY 137 N -0.73 -0.96 3.29 -1.39 0.00 -1.26 -4.49 105.19 99.65 3i3b n GLY 137 Ca -0.02 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 3i3b n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i3b s GLN 138 N -1.02 3.34 -0.27 1.61 0.74 0.70 -4.88 119.66 119.86 3i3b s GLN 138 Ca 0.00 -0.65 -0.06 0.00 0.05 0.00 0.00 55.36 54.70 3i3b s GLN 138 Cb 0.00 -2.95 -0.00 0.00 1.10 0.00 0.00 33.01 31.16 3i3b s GLN 138 CO 0.00 -0.18 0.06 0.99 -0.55 0.00 0.00 175.29 175.61 3i3b s THR 139 N 1.41 3.93 0.23 -0.34 2.01 -1.26 -0.50 115.64 121.12 3i3b s THR 139 Ca 0.05 -0.56 0.11 0.00 0.31 0.00 0.00 61.69 61.60 3i3b s THR 139 Cb -0.14 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 3i3b s THR 139 CO -0.04 0.19 -0.16 0.00 -0.69 0.00 0.00 174.62 173.92 3i3b s ARG 140 N 1.52 1.82 -0.08 4.92 1.70 -0.21 -0.19 118.95 128.43 3i3b s ARG 140 Ca 0.04 -1.53 0.01 0.00 -0.47 0.00 0.00 55.73 53.78 3i3b s ARG 140 Cb -0.16 -1.95 -0.03 0.00 -0.57 0.00 0.00 34.95 32.24 3i3b s ARG 140 CO 0.02 0.38 -0.09 -1.50 -1.08 0.00 0.00 175.30 173.02 3i3b s ILE 141 N -2.05 3.48 -0.16 4.99 2.07 0.39 -1.30 121.20 128.62 3i3b s ILE 141 Ca 0.26 -0.55 0.01 0.00 -1.41 0.00 0.00 60.65 58.96 3i3b s ILE 141 Cb -0.07 -2.42 0.02 0.00 0.13 0.00 0.00 42.46 40.12 3i3b s ILE 141 CO 0.14 0.58 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.92 3i3b s ILE 142 N -0.56 1.97 -0.47 2.00 1.01 0.30 -1.48 121.20 123.97 3i3b s ILE 142 Ca 0.08 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 3i3b s ILE 142 Cb -0.12 -1.78 0.12 0.00 0.01 0.00 0.00 42.46 40.70 3i3b s ILE 142 CO 0.02 0.53 0.33 -0.36 0.00 0.00 0.00 174.94 175.46 3i3b s PHE 143 N 1.13 3.44 0.55 3.97 0.40 -0.87 -1.47 117.98 125.14 3i3b s PHE 143 Ca 0.00 -1.93 0.23 0.00 -0.60 0.00 0.00 56.93 54.64 3i3b s PHE 143 Cb -0.14 -3.48 1.48 0.00 0.51 0.00 0.00 43.02 41.39 3i3b s PHE 143 CO -0.08 -0.99 2.14 -0.44 0.70 0.00 0.00 175.22 176.54 3i3b h ASP 144 N 8.41 0.00 -1.38 1.36 3.32 -1.46 -1.51 116.42 125.17 3i3b h ASP 144 Ca -0.20 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.98 3i3b h ASP 144 Cb 1.07 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.40 3i3b h ASP 144 CO 0.85 0.00 0.03 -0.83 -1.72 0.00 0.00 179.24 177.57 3i3b s GLY 145 N -4.05 -0.48 -0.08 2.75 0.00 -1.26 -3.41 107.32 100.79 3i3b s GLY 145 Ca -0.05 2.65 0.01 0.00 0.00 0.00 0.00 44.72 47.34 3i3b s GLY 145 CO 0.63 3.21 -0.10 0.14 0.00 0.00 0.00 173.10 176.98 3i3b s VAL 146 N 2.69 1.02 -0.28 1.40 1.01 -1.25 -2.35 120.40 122.65 3i3b s VAL 146 Ca -0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3i3b s VAL 146 Cb -0.09 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.33 3i3b s VAL 146 CO -0.18 0.34 0.02 0.21 0.00 0.00 0.00 175.10 175.49 3i3b s ASN 147 N 0.99 4.79 -0.00 3.32 3.84 0.05 -3.88 114.94 124.04 3i3b s ASN 147 Ca -0.09 -0.80 0.01 0.00 0.21 0.00 0.00 52.86 52.20 3i3b s ASN 147 Cb -0.15 -1.78 -0.02 0.00 -0.55 0.00 0.00 41.25 38.75 3i3b s ASN 147 CO -0.00 -0.17 0.06 -1.54 -2.79 0.00 0.00 177.10 172.66 3i3b n SER 148 N 4.77 0.27 -3.65 -4.21 3.41 -0.44 -1.18 113.62 112.59 3i3b n SER 148 Ca -0.15 -0.51 -0.13 0.00 -0.26 0.00 0.00 58.87 57.81 3i3b n SER 148 Cb 0.47 1.00 -0.06 0.00 -0.26 0.00 0.00 64.21 65.36 3i3b n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3b s ALA 149 N -1.18 -1.07 0.02 7.33 0.00 -1.17 -3.59 121.76 122.10 3i3b s ALA 149 Ca 0.01 0.41 -0.28 0.00 0.00 0.00 0.00 51.96 52.09 3i3b s ALA 149 Cb 0.01 0.30 0.08 0.00 0.00 0.00 0.00 23.12 23.51 3i3b s ALA 149 CO 0.06 -0.44 0.69 -0.59 0.00 0.00 0.00 175.76 175.49 3i3b s PHE 150 N -2.27 -0.57 0.08 0.00 -0.71 -0.84 -0.38 117.98 113.29 3i3b s PHE 150 Ca -0.06 0.72 0.05 0.00 -1.04 0.00 0.00 56.93 56.60 3i3b s PHE 150 Cb -0.01 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.24 3i3b s PHE 150 CO -0.01 -0.67 -0.03 -1.01 -1.34 0.00 0.00 175.22 172.16 3i3b s HIS 151 N -2.27 2.92 -0.02 3.49 3.76 -0.83 -1.65 115.29 120.69 3i3b s HIS 151 Ca -0.05 -0.06 0.06 0.00 -0.15 0.00 0.00 55.06 54.87 3i3b s HIS 151 Cb -0.00 -1.53 -0.01 0.00 1.11 0.00 0.00 32.58 32.15 3i3b s HIS 151 CO -0.01 0.45 -0.20 -1.17 -0.85 0.00 0.00 174.74 172.96 3i3b s LEU 152 N -2.14 2.03 0.01 0.89 2.96 0.11 -2.06 118.68 120.48 3i3b s LEU 152 Ca 0.23 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 3i3b s LEU 152 Cb -0.11 -1.06 -0.01 0.00 0.50 0.00 0.00 46.19 45.51 3i3b s LEU 152 CO 0.15 0.24 -0.09 0.26 -1.32 0.00 0.00 176.35 175.60 3i3b s TRP 153 N -0.43 0.79 -0.09 5.38 0.51 0.06 0.65 118.94 125.80 3i3b s TRP 153 Ca 0.07 -0.22 -0.01 0.00 -2.12 0.00 0.00 56.10 53.82 3i3b s TRP 153 Cb -0.08 -0.49 0.03 0.00 -0.81 0.00 0.00 33.47 32.11 3i3b s TRP 153 CO -0.00 -0.01 -0.04 0.00 -0.51 0.00 0.00 176.95 176.38 3i3b n ASN 155 N 4.99 -4.41 0.00 0.00 3.02 0.52 -1.72 115.26 117.66 3i3b n ASN 155 Ca -0.11 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 3i3b n ASN 155 Cb 0.50 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 3i3b n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i3b n GLY 156 N -1.72 2.90 3.75 7.41 0.00 -1.24 -5.01 105.19 111.29 3i3b n GLY 156 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 3i3b n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3b s ARG 157 N -0.04 4.12 0.15 1.61 0.52 -0.70 -4.93 118.95 119.68 3i3b s ARG 157 Ca 0.00 0.04 -0.31 0.00 -0.52 0.00 0.00 55.73 54.93 3i3b s ARG 157 Cb 0.00 -3.38 -0.10 0.00 0.52 0.00 0.00 34.95 31.99 3i3b s ARG 157 CO 0.00 0.35 1.62 -0.46 0.02 0.00 0.00 175.30 176.82 3i3b s TRP 158 N 0.15 2.89 -0.16 -0.53 -0.00 -1.26 -0.85 118.94 119.18 3i3b s TRP 158 Ca 0.15 0.51 -0.14 0.00 -0.00 0.00 0.00 56.10 56.62 3i3b s TRP 158 Cb -0.13 -3.97 -0.06 0.00 -0.00 0.00 0.00 33.47 29.31 3i3b s TRP 158 CO 0.04 -3.68 -0.29 0.28 -0.00 0.00 0.00 176.95 173.29 3i3b n VAL 159 N 4.14 1.40 -3.76 5.86 0.31 0.21 -4.90 118.33 121.59 3i3b n VAL 159 Ca 0.15 0.05 -0.01 0.00 -0.01 0.00 0.00 64.34 64.52 3i3b n VAL 159 Cb 0.38 -2.11 0.01 0.00 -0.91 0.00 0.00 33.84 31.21 3i3b n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i3b n GLY 160 N 1.75 0.78 3.06 2.92 0.00 -1.15 -4.78 105.19 107.77 3i3b n GLY 160 Ca -0.21 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 3i3b n GLY 160 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i3b s TYR 161 N -3.39 0.72 -0.06 1.61 5.04 -0.69 0.05 117.35 120.63 3i3b s TYR 161 Ca 0.15 -0.45 -0.19 0.00 -2.44 0.00 0.00 57.07 54.14 3i3b s TYR 161 Cb -0.02 -0.43 0.04 0.00 0.35 0.00 0.00 41.96 41.90 3i3b s TYR 161 CO 0.03 -0.06 0.44 0.20 -1.34 0.00 0.00 175.55 174.82 3i3b s GLY 162 N -1.42 -0.31 0.44 8.97 0.00 -0.66 -0.53 107.32 113.81 3i3b s GLY 162 Ca -0.07 0.81 0.03 0.00 0.00 0.00 0.00 44.72 45.48 3i3b s GLY 162 CO 0.01 0.56 0.11 -1.06 0.00 0.00 0.00 173.10 172.72 3i3b n GLN 163 N 1.53 0.63 -1.53 2.90 6.02 -0.78 -1.98 117.38 124.16 3i3b n GLN 163 Ca -0.19 -3.57 -0.01 0.00 -0.01 0.00 0.00 57.00 53.22 3i3b n GLN 163 Cb 0.56 1.64 -0.00 0.00 1.02 0.00 0.00 30.24 33.46 3i3b n GLN 163 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3i3b n ASP 164 N -1.45 -1.99 0.04 1.08 -0.08 -1.24 -4.92 116.55 107.99 3i3b n ASP 164 Ca -0.10 0.16 0.08 0.00 -1.51 0.00 0.00 54.79 53.41 3i3b n ASP 164 Cb 0.63 -1.46 0.34 0.00 2.34 0.00 0.00 41.12 42.97 3i3b n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3i3b n SER 165 N 0.19 0.20 -0.46 1.67 7.64 -1.25 -3.67 113.62 117.93 3i3b n SER 165 Ca -0.04 0.55 0.05 0.00 1.01 0.00 0.00 58.87 60.44 3i3b n SER 165 Cb 0.06 -0.59 0.12 0.00 -1.01 0.00 0.00 64.21 62.79 3i3b n SER 165 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i3b n ARG 166 N -1.73 2.84 -4.11 1.43 5.12 -1.26 -3.93 116.66 115.01 3i3b n ARG 166 Ca 0.03 -2.01 -0.15 0.00 -1.93 0.00 0.00 57.85 53.79 3i3b n ARG 166 Cb 0.17 -1.27 -0.11 0.00 -1.16 0.00 0.00 32.46 30.08 3i3b n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3i3b s LEU 167 N -1.29 2.30 0.33 0.55 1.43 -1.24 -4.38 118.68 116.38 3i3b s LEU 167 Ca 0.19 -0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 3i3b s LEU 167 Cb 0.12 -0.28 -0.10 0.00 0.03 0.00 0.00 46.19 45.96 3i3b s LEU 167 CO 0.10 -0.19 1.26 -2.16 0.23 0.00 0.00 176.35 175.59 3i3b s PRO 168 N -1.91 4.38 -0.24 1.29 0.04 -1.22 -4.58 135.00 132.76 3i3b s PRO 168 Ca -0.04 2.13 -0.01 0.00 0.04 0.00 0.00 61.00 63.11 3i3b s PRO 168 Cb -0.08 -3.07 0.03 0.00 0.04 0.00 0.00 34.50 31.42 3i3b s PRO 168 CO 0.01 -0.13 -0.08 -1.12 0.04 0.00 0.00 177.00 175.71 3i3b s SER 169 N -0.59 4.18 -0.01 6.66 0.01 -0.57 -4.95 113.70 118.43 3i3b s SER 169 Ca 0.49 -0.87 0.03 0.00 1.31 0.00 0.00 55.95 56.90 3i3b s SER 169 Cb -0.38 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 3i3b s SER 169 CO 0.50 -0.11 -0.07 -1.61 0.41 0.00 0.00 173.24 172.36 3i3b s GLU 170 N 1.31 2.58 0.01 12.44 2.02 -1.26 -2.05 118.70 133.75 3i3b s GLU 170 Ca 0.00 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.33 3i3b s GLU 170 Cb -0.16 -2.51 -0.01 0.00 0.10 0.00 0.00 34.13 31.54 3i3b s GLU 170 CO -0.06 0.62 -0.07 -0.06 0.02 0.00 0.00 175.26 175.71 3i3b s PHE 171 N -0.95 0.65 -0.34 1.61 0.08 -0.55 -0.24 117.98 118.24 3i3b s PHE 171 Ca 0.16 -0.23 -0.27 0.00 0.12 0.00 0.00 56.93 56.71 3i3b s PHE 171 Cb -0.11 -0.40 0.01 0.00 -0.57 0.00 0.00 43.02 41.95 3i3b s PHE 171 CO 0.06 -0.02 0.96 0.34 -0.10 0.00 0.00 175.22 176.45 3i3b s ASP 172 N -0.61 6.76 0.00 1.36 -1.08 -1.26 -0.46 116.67 121.38 3i3b s ASP 172 Ca -0.01 0.76 0.21 0.00 -0.52 0.00 0.00 52.55 52.99 3i3b s ASP 172 Cb -0.05 -2.48 0.37 0.00 -1.46 0.00 0.00 42.92 39.30 3i3b s ASP 172 CO 0.00 -0.83 1.33 0.18 0.52 0.00 0.00 175.17 176.37 3i3b n LEU 173 N 6.72 3.26 -0.21 -1.34 4.77 0.74 -4.67 117.00 126.26 3i3b n LEU 173 Ca 0.08 -1.47 -0.02 0.00 -0.03 0.00 0.00 56.01 54.57 3i3b n LEU 173 Cb 0.48 -0.21 0.05 0.00 -2.33 0.00 0.00 43.42 41.40 3i3b n LEU 173 CO 0.57 0.70 0.70 0.28 -1.33 0.00 0.00 177.39 178.31 3i3b h SER 174 N 4.05 -0.78 0.00 -1.43 0.02 -1.79 0.03 113.55 113.64 3i3b h SER 174 Ca 0.00 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3i3b h SER 174 Cb 0.92 0.46 0.00 0.00 0.14 0.00 0.00 62.40 63.92 3i3b h SER 174 CO 0.00 -0.25 0.00 0.00 -1.14 0.00 0.00 176.83 175.44 3i3b n ALA 175 N -3.12 2.59 -0.03 3.77 0.00 -1.26 -3.61 120.51 118.85 3i3b n ALA 175 Ca 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.34 3i3b n ALA 175 Cb 0.35 -1.48 -0.11 0.00 0.00 0.00 0.00 19.45 18.21 3i3b n ALA 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i3b n PHE 176 N -1.00 0.00 -1.19 0.00 3.01 -0.06 -5.03 117.46 113.19 3i3b n PHE 176 Ca 0.22 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.34 3i3b n PHE 176 Cb 0.10 -0.48 0.12 0.00 -0.01 0.00 0.00 39.48 39.21 3i3b n PHE 176 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i3b s LEU 177 N -4.43 3.18 0.16 4.37 1.43 -0.85 -4.83 118.68 117.71 3i3b s LEU 177 Ca -0.06 2.37 -0.10 0.00 -1.03 0.00 0.00 54.13 55.32 3i3b s LEU 177 Cb 0.07 -4.59 -0.00 0.00 0.03 0.00 0.00 46.19 41.70 3i3b s LEU 177 CO 0.58 -2.57 0.30 0.00 0.23 0.00 0.00 176.35 174.89 3i3b s ARG 178 N -4.08 1.16 0.36 1.70 1.70 -1.26 -5.08 118.95 113.45 3i3b s ARG 178 Ca 0.74 -1.12 -0.27 0.00 -0.47 0.00 0.00 55.73 54.60 3i3b s ARG 178 Cb -0.29 0.39 -0.10 0.00 -0.57 0.00 0.00 34.95 34.38 3i3b s ARG 178 CO 0.49 -0.43 1.29 0.00 -1.08 0.00 0.00 175.30 175.58 3i3b s ALA 179 N -3.95 3.39 0.00 7.88 0.00 -1.26 -4.73 121.76 123.09 3i3b s ALA 179 Ca 0.15 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3i3b s ALA 179 Cb 0.03 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3i3b s ALA 179 CO -0.01 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.46 3i3b n GLY 180 N 0.74 -0.00 3.75 0.00 0.00 -1.26 -4.88 105.19 103.53 3i3b n GLY 180 Ca 0.02 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 3i3b n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i3b s GLU 181 N 0.00 4.52 0.13 1.61 2.02 -1.26 -4.33 118.70 121.39 3i3b s GLU 181 Ca 0.00 1.90 0.09 0.00 0.02 0.00 0.00 54.97 56.99 3i3b s GLU 181 Cb 0.00 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 3i3b s GLU 181 CO 0.00 -0.01 -0.23 -0.80 0.02 0.00 0.00 175.26 174.24 3i3b s ASN 182 N -0.26 2.90 -0.08 -0.19 0.01 0.63 -4.91 114.94 113.04 3i3b s ASN 182 Ca 0.50 -0.76 0.01 0.00 -0.71 0.00 0.00 52.86 51.90 3i3b s ASN 182 Cb -0.33 -0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.17 3i3b s ASN 182 CO 0.40 0.09 -0.07 -0.60 -1.51 0.00 0.00 177.10 175.41 3i3b s ARG 183 N -2.19 1.26 0.02 -0.60 3.52 -1.26 -0.57 118.95 119.13 3i3b s ARG 183 Ca 0.12 -0.20 -0.11 0.00 -0.13 0.00 0.00 55.73 55.40 3i3b s ARG 183 Cb -0.09 -1.25 -0.05 0.00 -1.56 0.00 0.00 34.95 31.99 3i3b s ARG 183 CO 0.06 -0.14 0.37 -0.51 -0.81 0.00 0.00 175.30 174.26 3i3b s LEU 184 N 1.26 4.41 -0.15 -0.88 1.43 -0.40 -0.36 118.68 123.99 3i3b s LEU 184 Ca -0.05 0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 53.86 3i3b s LEU 184 Cb -0.14 -2.70 0.04 0.00 0.03 0.00 0.00 46.19 43.42 3i3b s LEU 184 CO -0.02 0.27 -0.05 0.00 0.23 0.00 0.00 176.35 176.78 3i3b s ALA 185 N -1.22 1.36 -0.22 4.21 0.00 -0.03 -2.43 121.76 123.43 3i3b s ALA 185 Ca 0.27 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.53 3i3b s ALA 185 Cb -0.15 -1.05 0.05 0.00 0.00 0.00 0.00 23.12 21.97 3i3b s ALA 185 CO 0.15 -0.71 -0.09 0.08 0.00 0.00 0.00 175.76 175.19 3i3b s VAL 186 N 1.69 1.68 -0.44 0.00 1.01 0.43 -0.76 120.40 124.01 3i3b s VAL 186 Ca 0.02 -1.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.67 3i3b s VAL 186 Cb -0.15 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.45 3i3b s VAL 186 CO -0.08 0.06 0.44 -0.32 0.00 0.00 0.00 175.10 175.21 3i3b s MET 187 N 1.36 3.07 -0.24 2.72 1.75 -0.88 -0.83 119.30 126.24 3i3b s MET 187 Ca -0.04 -0.90 -0.12 0.00 -1.25 0.00 0.00 55.69 53.38 3i3b s MET 187 Cb -0.18 -4.02 -0.05 0.00 2.84 0.00 0.00 34.83 33.43 3i3b s MET 187 CO -0.07 -0.93 0.22 0.08 -0.65 0.00 0.00 175.02 173.67 3i3b s VAL 188 N 2.08 5.31 -0.08 10.11 1.01 0.39 -1.96 120.40 137.26 3i3b s VAL 188 Ca 0.10 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 3i3b s VAL 188 Cb -0.19 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3i3b s VAL 188 CO 0.12 0.30 0.28 -0.76 0.00 0.00 0.00 175.10 175.03 3i3b s LEU 189 N 1.32 4.39 0.08 3.92 1.43 0.49 -0.90 118.68 129.40 3i3b s LEU 189 Ca 0.10 0.66 -0.15 0.00 -1.03 0.00 0.00 54.13 53.71 3i3b s LEU 189 Cb -0.14 -2.34 -0.15 0.00 0.03 0.00 0.00 46.19 43.59 3i3b s LEU 189 CO 0.07 0.30 1.30 -0.09 0.23 0.00 0.00 176.35 178.16 3i3b h ARG 190 N 5.29 0.67 -6.42 1.70 2.43 -1.58 -1.15 114.38 115.33 3i3b h ARG 190 Ca -0.50 -0.51 -0.68 0.00 -0.81 0.00 0.00 59.98 57.48 3i3b h ARG 190 Cb 1.21 0.09 -0.20 0.00 -0.42 0.00 0.00 29.97 30.65 3i3b h ARG 190 CO 0.64 1.13 -0.75 -1.58 -1.51 0.00 0.00 179.97 177.89 3i3b s TRP 191 N -3.84 2.73 0.26 2.20 0.23 -1.26 -4.02 118.94 115.23 3i3b s TRP 191 Ca -0.12 -0.14 -0.19 0.00 -2.03 0.00 0.00 56.10 53.62 3i3b s TRP 191 Cb 0.07 -1.55 0.02 0.00 0.03 0.00 0.00 33.47 32.05 3i3b s TRP 191 CO 0.86 0.31 0.64 -1.54 0.96 0.00 0.00 176.95 178.18 3i3b s SER 192 N -1.39 -0.24 0.36 2.95 1.04 -1.26 -4.89 113.70 110.27 3i3b s SER 192 Ca 0.16 -0.62 0.24 0.00 0.48 0.00 0.00 55.95 56.20 3i3b s SER 192 Cb -0.11 0.68 1.30 0.00 0.10 0.00 0.00 66.02 67.99 3i3b s SER 192 CO 0.06 -1.25 1.73 -2.24 0.98 0.00 0.00 173.24 172.52 3i3b h ASP 193 N 2.07 0.00 0.75 7.02 3.04 -0.84 0.51 116.42 128.97 3i3b h ASP 193 Ca -0.22 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.48 3i3b h ASP 193 Cb 1.25 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.53 3i3b h ASP 193 CO 0.28 0.00 -0.41 1.23 -2.04 0.00 0.00 179.24 178.30 3i3b h GLY 194 N 0.00 0.00 1.92 7.15 0.00 -1.92 -2.97 103.07 107.25 3i3b h GLY 194 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3i3b h GLY 194 CO 0.00 0.00 0.03 1.76 0.00 0.00 0.00 176.54 178.33 3i3b h SER 195 N 0.00 0.00 0.57 0.19 0.02 -0.34 -0.63 113.55 113.36 3i3b h SER 195 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i3b h SER 195 Cb 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 3i3b h SER 195 CO 0.05 0.00 0.00 1.88 -1.14 0.00 0.00 176.83 177.62 3i3b h TYR 196 N 0.00 0.00 -0.39 3.45 0.05 -1.65 -2.19 116.97 116.24 3i3b h TYR 196 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3i3b h TYR 196 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3i3b h TYR 196 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.39 3i3b n LEU 197 N -2.73 3.21 -2.72 3.88 4.77 -0.25 -4.38 117.00 118.79 3i3b n LEU 197 Ca -0.00 -2.12 -0.18 0.00 -0.03 0.00 0.00 56.01 53.67 3i3b n LEU 197 Cb 0.19 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3i3b n LEU 197 CO 0.21 0.76 -0.00 -0.62 -1.33 0.00 0.00 177.39 176.40 3i3b n GLU 198 N 0.56 2.12 -1.13 3.23 1.02 -0.82 -0.61 120.64 125.00 3i3b n GLU 198 Ca 0.15 -3.88 -0.26 0.00 -0.02 0.00 0.00 57.16 53.14 3i3b n GLU 198 Cb 0.51 -1.76 0.08 0.00 -0.02 0.00 0.00 31.44 30.25 3i3b n GLU 198 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3i3b n ASP 199 N -0.17 6.59 -4.77 1.62 2.03 0.08 -4.97 116.55 116.97 3i3b n ASP 199 Ca 0.24 -3.48 -0.38 0.00 0.52 0.00 0.00 54.79 51.69 3i3b n ASP 199 Cb 0.69 -0.97 -0.01 0.00 -0.72 0.00 0.00 41.12 40.12 3i3b n ASP 199 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3i3b s GLN 200 N -3.00 3.88 -1.01 -0.67 1.11 -1.26 -4.57 119.66 114.15 3i3b s GLN 200 Ca 0.51 1.94 -0.24 0.00 0.01 0.00 0.00 55.36 57.58 3i3b s GLN 200 Cb 0.40 -2.60 -0.06 0.00 -1.01 0.00 0.00 33.01 29.74 3i3b s GLN 200 CO 0.01 -0.49 1.94 0.34 0.01 0.00 0.00 175.29 177.10 3i3b s ASP 201 N -1.06 5.11 0.19 5.90 2.15 -1.26 -4.79 116.67 122.90 3i3b s ASP 201 Ca 0.60 -1.05 -0.23 0.00 0.43 0.00 0.00 52.55 52.29 3i3b s ASP 201 Cb -0.33 -2.57 0.06 0.00 -0.30 0.00 0.00 42.92 39.78 3i3b s ASP 201 CO 0.41 -2.86 0.94 0.00 -0.17 0.00 0.00 175.17 173.49 3i3b s MET 202 N 6.79 1.34 0.39 4.34 0.23 -1.25 -5.01 119.30 126.14 3i3b s MET 202 Ca 0.69 -0.78 -0.27 0.00 -1.03 0.00 0.00 55.69 54.30 3i3b s MET 202 Cb -0.04 0.43 -0.10 0.00 -1.53 0.00 0.00 34.83 33.59 3i3b s MET 202 CO 0.04 -0.62 1.45 -1.58 -2.03 0.00 0.00 175.02 172.29 3i3b s TRP 203 N -3.05 2.59 -0.38 3.16 0.52 -1.26 -4.26 118.94 116.26 3i3b s TRP 203 Ca 0.14 1.22 -0.14 0.00 0.02 0.00 0.00 56.10 57.34 3i3b s TRP 203 Cb -0.02 -3.96 0.00 0.00 -1.15 0.00 0.00 33.47 28.34 3i3b s TRP 203 CO 0.04 -2.87 0.29 1.03 0.02 0.00 0.00 176.95 175.46 3i3b s ARG 204 N -2.18 3.25 0.00 4.98 1.81 0.24 -4.94 118.95 122.11 3i3b s ARG 204 Ca 0.55 -0.80 0.00 0.00 -1.72 0.00 0.00 55.73 53.76 3i3b s ARG 204 Cb -0.45 -3.89 0.00 0.00 -0.45 0.00 0.00 34.95 30.16 3i3b s ARG 204 CO 0.60 -0.61 0.00 -1.33 -0.68 0.00 0.00 175.30 173.28 3i3b n MET 205 N 5.18 1.54 -3.63 3.54 2.81 -1.26 -2.46 117.12 122.85 3i3b n MET 205 Ca -0.11 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.71 3i3b n MET 205 Cb 0.48 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.98 3i3b n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3i3b s SER 206 N -0.60 -0.30 0.00 7.83 1.04 -1.26 -4.82 113.70 115.59 3i3b s SER 206 Ca 0.00 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3i3b s SER 206 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 3i3b s SER 206 CO 0.00 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.99 3i3b n GLY 207 N -0.37 0.52 3.40 7.32 0.00 -0.32 -2.18 105.19 113.55 3i3b n GLY 207 Ca -0.08 -2.23 -0.45 0.00 0.00 0.00 0.00 46.02 43.25 3i3b n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i3b s ILE 208 N -0.58 5.34 -2.40 -0.61 1.01 -1.22 -0.77 121.20 121.96 3i3b s ILE 208 Ca 0.00 -2.50 0.25 0.00 0.00 0.00 0.00 60.65 58.40 3i3b s ILE 208 Cb 0.00 -4.69 0.51 0.00 0.01 0.00 0.00 42.46 38.29 3i3b s ILE 208 CO 0.00 -1.33 1.65 2.22 0.00 0.00 0.00 174.94 177.48 3i3b n PHE 209 N 4.75 0.10 -4.29 3.97 -1.74 -0.99 -0.75 117.46 118.50 3i3b n PHE 209 Ca 0.24 -0.05 -0.16 0.00 -0.56 0.00 0.00 57.45 56.93 3i3b n PHE 209 Cb 0.45 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.35 3i3b n PHE 209 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3i3b s ARG 210 N -1.90 1.25 0.89 3.97 0.52 -1.19 -4.42 118.95 118.08 3i3b s ARG 210 Ca 0.35 -1.63 -0.16 0.00 -0.52 0.00 0.00 55.73 53.77 3i3b s ARG 210 Cb 0.19 -0.42 -0.11 0.00 0.52 0.00 0.00 34.95 35.13 3i3b s ARG 210 CO 0.30 -0.14 -0.39 -0.25 0.02 0.00 0.00 175.30 174.85 3i3b n ASP 211 N -0.35 -4.62 -3.88 0.23 8.00 -1.26 -4.34 116.55 110.32 3i3b n ASP 211 Ca -0.05 0.31 -0.16 0.00 0.71 0.00 0.00 54.79 55.60 3i3b n ASP 211 Cb 0.64 -0.89 -0.15 0.00 -0.02 0.00 0.00 41.12 40.70 3i3b n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i3b s VAL 212 N -2.06 0.28 0.27 2.53 1.01 -1.26 -1.37 120.40 119.81 3i3b s VAL 212 Ca 0.48 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 3i3b s VAL 212 Cb -0.25 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.83 3i3b s VAL 212 CO 0.76 0.13 0.51 -0.94 0.00 0.00 0.00 175.10 175.56 3i3b s SER 213 N 0.51 0.03 -0.10 3.32 1.04 -0.54 -0.46 113.70 117.51 3i3b s SER 213 Ca -0.05 -1.00 0.04 0.00 0.48 0.00 0.00 55.95 55.42 3i3b s SER 213 Cb -0.08 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3i3b s SER 213 CO -0.01 -1.21 -0.23 -0.76 0.98 0.00 0.00 173.24 172.01 3i3b s LEU 214 N -3.04 2.06 -0.12 2.42 1.43 0.11 -0.54 118.68 120.99 3i3b s LEU 214 Ca 0.22 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 3i3b s LEU 214 Cb -0.01 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.85 3i3b s LEU 214 CO 0.11 0.16 -0.21 -0.22 0.23 0.00 0.00 176.35 176.41 3i3b s LEU 215 N 0.34 2.02 -0.31 1.79 2.96 -0.42 -0.35 118.68 124.71 3i3b s LEU 215 Ca -0.18 -0.55 -0.07 0.00 -0.22 0.00 0.00 54.13 53.11 3i3b s LEU 215 Cb -0.18 -1.36 0.01 0.00 0.50 0.00 0.00 46.19 45.17 3i3b s LEU 215 CO 0.08 0.09 0.10 -2.28 -1.32 0.00 0.00 176.35 173.02 3i3b s HIS 216 N 0.72 3.17 0.21 5.38 5.65 0.53 -1.05 115.29 129.91 3i3b s HIS 216 Ca -0.10 -1.03 0.10 0.00 0.25 0.00 0.00 55.06 54.27 3i3b s HIS 216 Cb -0.16 -2.28 -0.04 0.00 -1.18 0.00 0.00 32.58 28.92 3i3b s HIS 216 CO 0.01 -0.60 -0.11 0.15 -0.65 0.00 0.00 174.74 173.54 3i3b s LYS 217 N 1.49 1.99 0.73 2.88 -0.14 0.34 -4.84 119.74 122.20 3i3b s LYS 217 Ca 0.02 -1.39 -0.11 0.00 -1.36 0.00 0.00 55.97 53.13 3i3b s LYS 217 Cb -0.18 -2.07 0.03 0.00 -1.68 0.00 0.00 37.83 33.93 3i3b s LYS 217 CO 0.03 0.40 1.08 -2.14 -0.76 0.00 0.00 175.35 173.97 3i3b s PRO 218 N -3.05 2.53 0.25 -1.68 0.02 -1.26 -0.22 135.00 131.60 3i3b s PRO 218 Ca 0.26 1.15 -0.01 0.00 0.02 0.00 0.00 61.00 62.42 3i3b s PRO 218 Cb -0.08 -1.93 0.31 0.00 0.02 0.00 0.00 34.50 32.82 3i3b s PRO 218 CO 0.15 -1.43 1.70 1.79 -0.33 0.00 0.00 177.00 178.88 3i3b h THR 219 N -0.82 1.26 -3.27 0.99 1.35 -1.92 -3.33 112.91 107.18 3i3b h THR 219 Ca -0.44 -1.23 -0.68 0.00 -0.55 0.00 0.00 66.41 63.52 3i3b h THR 219 Cb 1.23 1.19 -0.17 0.00 -1.73 0.00 0.00 68.15 68.66 3i3b h THR 219 CO 0.53 0.41 0.10 -0.89 -0.25 0.00 0.00 175.52 175.41 3i3b s THR 220 N -4.65 4.83 0.17 6.82 2.01 -1.26 -3.84 115.64 119.72 3i3b s THR 220 Ca -0.08 -0.38 -0.00 0.00 0.31 0.00 0.00 61.69 61.53 3i3b s THR 220 Cb 0.14 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 3i3b s THR 220 CO 0.81 -0.81 0.07 0.00 -0.69 0.00 0.00 174.62 174.00 3i3b s GLN 221 N 2.75 1.09 -0.35 4.92 -2.07 0.00 -4.91 119.66 121.09 3i3b s GLN 221 Ca 0.17 -1.55 -0.26 0.00 -1.82 0.00 0.00 55.36 51.90 3i3b s GLN 221 Cb -0.18 0.09 0.01 0.00 -1.09 0.00 0.00 33.01 31.84 3i3b s GLN 221 CO 0.13 -0.28 0.92 0.42 -1.32 0.00 0.00 175.29 175.17 3i3b s ILE 222 N -3.97 4.61 -1.00 3.63 1.01 -1.26 -1.28 121.20 122.93 3i3b s ILE 222 Ca 0.30 1.25 0.21 0.00 0.00 0.00 0.00 60.65 62.41 3i3b s ILE 222 Cb 0.07 -4.32 -0.23 0.00 0.01 0.00 0.00 42.46 38.00 3i3b s ILE 222 CO 0.06 -0.49 0.90 -1.54 0.00 0.00 0.00 174.94 173.87 3i3b n SER 223 N 6.70 1.00 -3.64 3.58 3.41 0.36 -4.92 113.62 120.11 3i3b n SER 223 Ca 0.07 -1.00 -0.02 0.00 -0.26 0.00 0.00 58.87 57.66 3i3b n SER 223 Cb 0.48 1.00 -0.03 0.00 -0.26 0.00 0.00 64.21 65.40 3i3b n SER 223 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i3b s ASP 224 N -2.99 -0.02 -0.28 4.04 2.15 -1.18 -4.87 116.67 113.52 3i3b s ASP 224 Ca 0.08 0.01 -0.23 0.00 0.43 0.00 0.00 52.55 52.84 3i3b s ASP 224 Cb 0.16 0.02 0.11 0.00 -0.30 0.00 0.00 42.92 42.91 3i3b s ASP 224 CO 0.86 -0.03 0.91 0.72 -0.17 0.00 0.00 175.17 177.46 3i3b s PHE 225 N -1.70 -0.63 -0.01 -5.34 -0.71 -1.26 -0.35 117.98 107.99 3i3b s PHE 225 Ca 0.11 1.46 0.08 0.00 -1.04 0.00 0.00 56.93 57.54 3i3b s PHE 225 Cb -0.01 0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 42.14 3i3b s PHE 225 CO -0.04 -0.30 -0.25 -1.01 -1.34 0.00 0.00 175.22 172.27 3i3b s HIS 226 N 0.50 2.23 -0.15 3.49 3.76 0.09 -4.84 115.29 120.37 3i3b s HIS 226 Ca -0.00 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 3i3b s HIS 226 Cb -0.05 -1.41 0.01 0.00 1.11 0.00 0.00 32.58 32.24 3i3b s HIS 226 CO -0.06 -0.01 -0.20 0.08 -0.85 0.00 0.00 174.74 173.70 3i3b s VAL 227 N -0.63 2.21 0.15 -0.90 1.01 -1.26 -1.38 120.40 119.60 3i3b s VAL 227 Ca 0.10 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.24 3i3b s VAL 227 Cb -0.10 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3i3b s VAL 227 CO -0.00 0.54 -0.19 0.00 0.00 0.00 0.00 175.10 175.45 3i3b s ALA 228 N 0.92 1.94 -0.06 5.51 0.00 -0.35 -4.85 121.76 124.87 3i3b s ALA 228 Ca -0.04 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 3i3b s ALA 228 Cb -0.15 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.80 3i3b s ALA 228 CO -0.04 0.26 0.01 0.95 0.00 0.00 0.00 175.76 176.94 3i3b s THR 229 N -1.85 0.29 0.08 0.00 -4.23 -1.26 -1.11 115.64 107.56 3i3b s THR 229 Ca 0.13 0.17 0.05 0.00 -1.18 0.00 0.00 61.69 60.87 3i3b s THR 229 Cb -0.07 -0.46 -0.04 0.00 1.34 0.00 0.00 72.50 73.27 3i3b s THR 229 CO 0.06 0.24 -0.03 -0.13 -0.54 0.00 0.00 174.62 174.23 3i3b s ARG 230 N 1.98 2.46 0.20 3.99 0.52 -0.69 -4.85 118.95 122.57 3i3b s ARG 230 Ca 0.05 -0.86 0.07 0.00 -0.52 0.00 0.00 55.73 54.46 3i3b s ARG 230 Cb -0.12 -2.49 -0.05 0.00 0.52 0.00 0.00 34.95 32.81 3i3b s ARG 230 CO -0.05 0.54 -0.12 -0.06 0.02 0.00 0.00 175.30 175.63 3i3b s PHE 231 N -1.26 1.66 0.90 -0.53 0.40 -1.26 -1.34 117.98 116.55 3i3b s PHE 231 Ca 0.24 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.84 3i3b s PHE 231 Cb -0.11 -0.80 0.19 0.00 0.51 0.00 0.00 43.02 42.80 3i3b s PHE 231 CO 0.16 0.30 1.23 0.54 0.70 0.00 0.00 175.22 178.14 3i3b s ASN 232 N -3.31 3.38 0.39 1.36 4.22 -0.81 -4.92 114.94 115.26 3i3b s ASN 232 Ca 0.22 -0.06 0.16 0.00 -2.14 0.00 0.00 52.86 51.04 3i3b s ASN 232 Cb 0.00 -0.03 1.02 0.00 1.28 0.00 0.00 41.25 43.53 3i3b s ASN 232 CO 0.06 -2.53 1.83 -2.24 -2.04 0.00 0.00 177.10 172.18 3i3b h ASP 233 N -1.31 0.48 -0.25 3.54 3.04 -2.01 -2.64 116.42 117.27 3i3b h ASP 233 Ca -0.41 0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.44 3i3b h ASP 233 Cb 1.23 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 3i3b h ASP 233 CO 0.35 0.18 0.00 -0.90 -2.04 0.00 0.00 179.24 176.82 3i3b n ASP 234 N -4.57 3.55 -1.97 4.15 5.75 -1.26 -4.97 116.55 117.22 3i3b n ASP 234 Ca 0.21 -2.82 -0.17 0.00 -0.01 0.00 0.00 54.79 51.99 3i3b n ASP 234 Cb 0.71 -0.47 -0.04 0.00 -1.03 0.00 0.00 41.12 40.29 3i3b n ASP 234 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3i3b n PHE 235 N -0.41 -0.68 0.79 2.11 3.01 -1.00 -4.82 117.46 116.45 3i3b n PHE 235 Ca 0.19 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.77 3i3b n PHE 235 Cb 0.78 -3.28 0.21 0.00 -0.01 0.00 0.00 39.48 37.17 3i3b n PHE 235 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3i3b n SER 236 N -1.46 0.58 -3.84 4.37 3.41 -1.26 -4.50 113.62 110.91 3i3b n SER 236 Ca -0.19 -0.07 -0.13 0.00 -0.26 0.00 0.00 58.87 58.22 3i3b n SER 236 Cb 0.61 0.24 -0.15 0.00 -0.26 0.00 0.00 64.21 64.66 3i3b n SER 236 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i3b s ARG 237 N -3.09 -0.00 0.07 4.33 0.52 -1.26 0.15 118.95 119.67 3i3b s ARG 237 Ca 0.08 0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.35 3i3b s ARG 237 Cb 0.16 -0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.50 3i3b s ARG 237 CO 0.71 -0.05 -0.05 0.00 0.02 0.00 0.00 175.30 175.94 3i3b s ALA 238 N 0.32 0.70 -0.12 2.13 0.00 0.33 -1.92 121.76 123.20 3i3b s ALA 238 Ca -0.03 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.73 3i3b s ALA 238 Cb -0.04 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.30 3i3b s ALA 238 CO -0.01 -0.28 -0.14 0.08 0.00 0.00 0.00 175.76 175.41 3i3b s VAL 239 N -3.52 1.47 -0.28 0.00 1.01 -0.45 -0.24 120.40 118.39 3i3b s VAL 239 Ca 0.07 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 3i3b s VAL 239 Cb 0.05 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 3i3b s VAL 239 CO -0.07 0.44 0.21 -0.22 0.00 0.00 0.00 175.10 175.47 3i3b s LEU 240 N 1.23 4.06 -0.22 3.92 0.20 0.83 -1.70 118.68 127.00 3i3b s LEU 240 Ca -0.02 -0.01 -0.03 0.00 0.69 0.00 0.00 54.13 54.76 3i3b s LEU 240 Cb -0.14 -2.15 0.00 0.00 -0.43 0.00 0.00 46.19 43.47 3i3b s LEU 240 CO -0.05 -0.08 -0.07 -0.70 -0.29 0.00 0.00 176.35 175.15 3i3b s GLU 241 N 1.79 3.21 -0.22 1.98 2.12 -0.27 -0.35 118.70 126.97 3i3b s GLU 241 Ca 0.08 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.69 3i3b s GLU 241 Cb -0.16 -2.93 0.03 0.00 0.26 0.00 0.00 34.13 31.34 3i3b s GLU 241 CO 0.11 -0.24 -0.14 0.00 -0.54 0.00 0.00 175.26 174.45 3i3b s ALA 242 N 1.42 2.48 -0.11 6.30 0.00 0.39 -1.21 121.76 131.03 3i3b s ALA 242 Ca 0.05 -1.44 -0.18 0.00 0.00 0.00 0.00 51.96 50.38 3i3b s ALA 242 Cb -0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 3i3b s ALA 242 CO -0.05 -0.71 0.49 -2.00 0.00 0.00 0.00 175.76 173.48 3i3b s GLU 243 N 1.24 4.34 -0.05 0.00 2.12 -0.48 -0.99 118.70 124.88 3i3b s GLU 243 Ca -0.00 0.47 0.05 0.00 0.36 0.00 0.00 54.97 55.85 3i3b s GLU 243 Cb -0.16 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 3i3b s GLU 243 CO -0.09 0.17 -0.21 0.08 -0.54 0.00 0.00 175.26 174.68 3i3b s VAL 244 N 0.58 1.71 0.03 3.70 1.01 -0.28 -0.73 120.40 126.42 3i3b s VAL 244 Ca 0.27 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.45 3i3b s VAL 244 Cb -0.15 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3i3b s VAL 244 CO 0.11 0.48 -0.19 -1.10 0.00 0.00 0.00 175.10 174.40 3i3b s GLN 245 N -0.01 2.08 0.18 2.72 -0.21 0.53 -2.10 119.66 122.85 3i3b s GLN 245 Ca -0.05 -0.97 0.07 0.00 0.02 0.00 0.00 55.36 54.43 3i3b s GLN 245 Cb -0.13 -2.17 -0.04 0.00 1.00 0.00 0.00 33.01 31.67 3i3b s GLN 245 CO 0.03 0.55 -0.14 0.00 -2.12 0.00 0.00 175.29 173.61 3i3b s MET 246 N -1.30 1.22 0.06 2.91 0.23 -0.80 -0.49 119.30 121.13 3i3b s MET 246 Ca 0.14 -1.50 0.06 0.00 -1.03 0.00 0.00 55.69 53.36 3i3b s MET 246 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 34.83 32.17 3i3b s MET 246 CO 0.04 0.17 -0.17 0.00 -2.03 0.00 0.00 175.02 173.02 3i3b n GLY 248 N 1.60 0.32 3.68 0.00 0.00 -1.25 -0.82 105.19 108.72 3i3b n GLY 248 Ca -0.19 -2.30 -0.41 0.00 0.00 0.00 0.00 46.02 43.12 3i3b n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i3b s GLU 249 N 0.00 4.37 0.16 1.61 2.12 -1.26 -5.01 118.70 120.69 3i3b s GLU 249 Ca 0.00 1.13 -0.30 0.00 0.36 0.00 0.00 54.97 56.16 3i3b s GLU 249 Cb 0.00 -3.54 -0.08 0.00 0.26 0.00 0.00 34.13 30.78 3i3b s GLU 249 CO 0.00 -0.25 1.19 -0.51 -0.54 0.00 0.00 175.26 175.15 3i3b s LEU 250 N 1.84 4.44 0.01 2.70 1.43 -1.26 -4.99 118.68 122.84 3i3b s LEU 250 Ca 0.42 2.17 0.03 0.00 -1.03 0.00 0.00 54.13 55.72 3i3b s LEU 250 Cb -0.18 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 3i3b s LEU 250 CO 0.16 -0.37 -0.08 -0.13 0.23 0.00 0.00 176.35 176.15 3i3b s ARG 251 N 0.01 0.63 0.54 1.70 1.81 -1.26 -5.05 118.95 117.33 3i3b s ARG 251 Ca 0.54 -0.40 0.21 0.00 -1.72 0.00 0.00 55.73 54.36 3i3b s ARG 251 Cb -0.32 -0.58 1.45 0.00 -0.45 0.00 0.00 34.95 35.05 3i3b s ARG 251 CO 0.35 0.15 2.16 -0.44 -0.68 0.00 0.00 175.30 176.84 3i3b h ASP 252 N 5.60 0.00 0.70 0.23 3.32 -2.00 -2.08 116.42 122.19 3i3b h ASP 252 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3i3b h ASP 252 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3i3b h ASP 252 CO 0.48 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 178.03 3i3b n TYR 253 N -4.21 0.00 -2.28 4.55 0.18 -1.26 -4.87 117.16 109.27 3i3b n TYR 253 Ca -0.03 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.38 3i3b n TYR 253 Cb 0.11 -0.35 -0.01 0.00 -0.38 0.00 0.00 39.34 38.71 3i3b n TYR 253 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3i3b s LEU 254 N -2.70 4.08 0.12 -3.48 1.43 -0.79 -0.25 118.68 117.09 3i3b s LEU 254 Ca 0.24 2.31 -0.06 0.00 -1.03 0.00 0.00 54.13 55.59 3i3b s LEU 254 Cb 0.20 -4.16 -0.02 0.00 0.03 0.00 0.00 46.19 42.24 3i3b s LEU 254 CO 0.48 -0.82 0.18 -0.13 0.23 0.00 0.00 176.35 176.29 3i3b s ARG 255 N -2.55 0.95 -0.04 1.70 1.81 0.12 -4.17 118.95 116.78 3i3b s ARG 255 Ca 0.61 -1.16 0.01 0.00 -1.72 0.00 0.00 55.73 53.47 3i3b s ARG 255 Cb -0.29 0.32 0.02 0.00 -0.45 0.00 0.00 34.95 34.55 3i3b s ARG 255 CO 0.36 -0.31 -0.04 0.08 -0.68 0.00 0.00 175.30 174.71 3i3b s VAL 256 N -3.94 0.47 -0.10 3.52 1.01 -0.17 -1.16 120.40 120.04 3i3b s VAL 256 Ca 0.13 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3i3b s VAL 256 Cb 0.05 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.93 3i3b s VAL 256 CO -0.04 0.21 -0.18 -0.89 0.00 0.00 0.00 175.10 174.20 3i3b s THR 257 N 0.88 1.61 -0.21 3.92 2.01 -0.56 -1.71 115.64 121.58 3i3b s THR 257 Ca -0.11 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 3i3b s THR 257 Cb -0.14 -1.44 -0.00 0.00 0.01 0.00 0.00 72.50 70.93 3i3b s THR 257 CO 0.00 0.46 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.62 3i3b s VAL 258 N 0.69 3.08 -0.05 3.82 1.01 -0.20 -0.82 120.40 127.92 3i3b s VAL 258 Ca -0.13 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.30 3i3b s VAL 258 Cb -0.16 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 3i3b s VAL 258 CO 0.03 0.45 -0.15 -0.44 0.00 0.00 0.00 175.10 174.99 3i3b s SER 259 N 1.43 3.93 -0.21 3.32 0.01 -0.59 -1.61 113.70 119.98 3i3b s SER 259 Ca 0.06 -0.23 -0.05 0.00 1.31 0.00 0.00 55.95 57.04 3i3b s SER 259 Cb -0.14 -0.83 -0.02 0.00 0.21 0.00 0.00 66.02 65.24 3i3b s SER 259 CO -0.05 0.34 -0.00 -0.22 0.41 0.00 0.00 173.24 173.71 3i3b s LEU 260 N -0.67 3.20 0.03 2.44 2.96 0.01 -1.24 118.68 125.41 3i3b s LEU 260 Ca 0.10 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.84 3i3b s LEU 260 Cb -0.11 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3i3b s LEU 260 CO 0.01 0.04 -0.19 0.26 -1.32 0.00 0.00 176.35 175.15 3i3b s TRP 261 N 1.16 2.54 -0.43 5.38 0.52 0.18 -1.26 118.94 127.04 3i3b s TRP 261 Ca 0.03 -0.27 0.03 0.00 0.02 0.00 0.00 56.10 55.91 3i3b s TRP 261 Cb -0.14 -1.48 0.12 0.00 -1.15 0.00 0.00 33.47 30.81 3i3b s TRP 261 CO 0.01 0.22 0.18 -1.14 0.02 0.00 0.00 176.95 176.23 3i3b s GLN 262 N -1.29 1.62 6.80 4.98 0.74 0.07 -0.25 119.66 132.32 3i3b s GLN 262 Ca 0.14 -2.17 0.00 0.00 0.05 0.00 0.00 55.36 53.38 3i3b s GLN 262 Cb -0.10 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 30.97 3i3b s GLN 262 CO 0.04 -1.05 0.00 0.41 -0.55 0.00 0.00 175.29 174.14 3i3b n GLY 263 N 3.68 2.23 0.50 2.59 0.00 -1.26 -1.88 105.19 111.05 3i3b n GLY 263 Ca 0.05 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.81 3i3b n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i3b n GLU 264 N 13.21 1.68 -3.56 1.61 1.02 -1.26 -4.85 120.64 128.49 3i3b n GLU 264 Ca 0.00 -0.99 -0.37 0.00 -0.02 0.00 0.00 57.16 55.78 3i3b n GLU 264 Cb 0.00 -1.45 -0.07 0.00 -0.02 0.00 0.00 31.44 29.90 3i3b n GLU 264 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3i3b s THR 265 N -1.94 5.28 -0.24 2.62 2.01 -0.79 -5.05 115.64 117.54 3i3b s THR 265 Ca 0.36 0.57 -0.19 0.00 0.31 0.00 0.00 61.69 62.75 3i3b s THR 265 Cb 0.20 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 3i3b s THR 265 CO 0.31 0.44 0.55 -1.58 -0.69 0.00 0.00 174.62 173.65 3i3b s GLN 266 N 0.09 4.12 -0.12 4.92 0.74 -1.26 -0.75 119.66 127.41 3i3b s GLN 266 Ca 0.18 0.41 0.18 0.00 0.05 0.00 0.00 55.36 56.19 3i3b s GLN 266 Cb -0.13 -3.62 -0.25 0.00 1.10 0.00 0.00 33.01 30.10 3i3b s GLN 266 CO 0.05 -0.29 0.30 1.33 -0.55 0.00 0.00 175.29 176.13 3i3b n VAL 267 N 4.95 1.05 -3.52 1.34 0.24 -0.39 -4.98 118.33 117.02 3i3b n VAL 267 Ca -0.03 -0.75 -0.12 0.00 -2.04 0.00 0.00 64.34 61.39 3i3b n VAL 267 Cb 0.50 -0.43 -0.04 0.00 -1.47 0.00 0.00 33.84 32.41 3i3b n VAL 267 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i3b s ALA 268 N -2.79 -1.34 -0.11 2.33 0.00 -1.20 -5.01 121.76 113.63 3i3b s ALA 268 Ca -0.08 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 3i3b s ALA 268 Cb 0.08 0.68 0.10 0.00 0.00 0.00 0.00 23.12 23.98 3i3b s ALA 268 CO 0.85 -0.66 0.82 0.45 0.00 0.00 0.00 175.76 177.22 3i3b s SER 269 N -2.53 -0.54 -0.09 0.00 0.15 -1.26 -0.81 113.70 108.62 3i3b s SER 269 Ca -0.00 0.62 -0.08 0.00 0.70 0.00 0.00 55.95 57.19 3i3b s SER 269 Cb -0.00 0.48 0.03 0.00 -1.71 0.00 0.00 66.02 64.82 3i3b s SER 269 CO -0.09 -0.47 0.25 -0.83 1.20 0.00 0.00 173.24 173.29 3i3b s GLY 270 N -1.06 -0.18 0.07 9.45 0.00 -0.63 -4.96 107.32 110.01 3i3b s GLY 270 Ca -0.06 0.75 0.07 0.00 0.00 0.00 0.00 44.72 45.47 3i3b s GLY 270 CO 0.06 0.72 -0.18 -1.59 0.00 0.00 0.00 173.10 172.11 3i3b s THR 271 N 0.33 1.43 -0.12 0.90 2.01 -1.26 -1.03 115.64 117.90 3i3b s THR 271 Ca -0.02 -1.30 -0.31 0.00 0.31 0.00 0.00 61.69 60.37 3i3b s THR 271 Cb -0.03 -1.30 0.13 0.00 0.01 0.00 0.00 72.50 71.30 3i3b s THR 271 CO -0.01 -0.04 1.05 0.00 -0.69 0.00 0.00 174.62 174.93 3i3b s ALA 272 N -1.05 -1.95 0.81 7.40 0.00 -0.69 -4.99 121.76 121.28 3i3b s ALA 272 Ca 0.04 1.40 -0.10 0.00 0.00 0.00 0.00 51.96 53.30 3i3b s ALA 272 Cb -0.09 -0.16 0.12 0.00 0.00 0.00 0.00 23.12 22.98 3i3b s ALA 272 CO 0.03 -0.53 1.14 -1.25 0.00 0.00 0.00 175.76 175.15 3i3b s PRO 273 N -2.25 1.61 0.44 0.00 0.04 -1.26 -0.99 135.00 132.58 3i3b s PRO 273 Ca 0.05 -0.32 -0.22 0.00 0.04 0.00 0.00 61.00 60.55 3i3b s PRO 273 Cb -0.01 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 3i3b s PRO 273 CO -0.05 -1.70 1.01 -0.06 0.04 0.00 0.00 177.00 176.24 3i3b s PHE 274 N -3.50 3.20 0.00 0.56 0.08 -1.26 -4.83 117.98 112.22 3i3b s PHE 274 Ca 0.65 1.62 0.00 0.00 0.12 0.00 0.00 56.93 59.32 3i3b s PHE 274 Cb -0.08 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 3i3b s PHE 274 CO 0.48 -0.50 0.00 0.41 -0.10 0.00 0.00 175.22 175.52 3i3b n GLY 275 N -0.19 1.62 3.84 4.36 0.00 0.15 -4.97 105.19 110.00 3i3b n GLY 275 Ca 0.07 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 3i3b n GLY 275 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i3b s GLY 276 N 0.00 1.61 0.85 -0.02 0.00 -0.32 -4.83 107.32 104.61 3i3b s GLY 276 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 44.72 43.91 3i3b s GLY 276 CO 0.00 -0.12 1.11 -1.83 0.00 0.00 0.00 173.10 172.26 3i3b s GLU 277 N -5.49 1.57 0.18 2.90 -1.05 -1.26 -4.48 118.70 111.08 3i3b s GLU 277 Ca 0.65 1.25 -0.31 0.00 -0.15 0.00 0.00 54.97 56.42 3i3b s GLU 277 Cb -0.11 -1.81 -0.10 0.00 -0.44 0.00 0.00 34.13 31.67 3i3b s GLU 277 CO 0.52 -2.15 1.50 0.42 0.95 0.00 0.00 175.26 176.50 3i3b s ILE 278 N -2.80 2.75 -0.08 1.83 1.01 -1.26 -4.29 121.20 118.35 3i3b s ILE 278 Ca 0.64 0.57 0.07 0.00 0.00 0.00 0.00 60.65 61.92 3i3b s ILE 278 Cb -0.20 -3.36 -0.10 0.00 0.01 0.00 0.00 42.46 38.82 3i3b s ILE 278 CO 0.57 0.06 0.02 2.30 0.00 0.00 0.00 174.94 177.89 3i3b n ILE 279 N 3.43 0.56 -3.69 2.92 -5.35 -0.21 -4.92 119.36 112.10 3i3b n ILE 279 Ca 0.11 -0.33 -0.06 0.00 -0.27 0.00 0.00 62.75 62.20 3i3b n ILE 279 Cb 0.40 -0.79 -0.01 0.00 -1.74 0.00 0.00 39.64 37.50 3i3b n ILE 279 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3i3b n ASP 280 N -2.34 -0.72 0.08 7.28 5.68 -1.01 -5.03 116.55 120.48 3i3b n ASP 280 Ca -0.14 -1.83 0.21 0.00 -0.50 0.00 0.00 54.79 52.53 3i3b n ASP 280 Cb 0.76 1.30 0.74 0.00 -1.14 0.00 0.00 41.12 42.78 3i3b n ASP 280 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i3b h GLU 281 N 0.00 0.00 -0.24 0.11 3.07 -2.05 -0.35 114.58 115.12 3i3b h GLU 281 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 3i3b h GLU 281 Cb 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 3i3b h GLU 281 CO 0.17 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.32 3i3b n ARG 282 N -3.81 1.76 0.00 2.33 5.12 -1.26 -5.04 116.66 115.76 3i3b n ARG 282 Ca 0.08 -1.16 0.00 0.00 -1.93 0.00 0.00 57.85 54.83 3i3b n ARG 282 Cb 0.61 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.57 3i3b n ARG 282 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i3b n GLY 283 N 1.10 0.81 0.00 -0.13 0.00 -0.14 -5.04 105.19 101.78 3i3b n GLY 283 Ca 0.14 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3i3b n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3b n GLY 284 N 0.00 4.35 3.46 -0.02 0.00 -1.26 -1.04 105.19 110.67 3i3b n GLY 284 Ca 0.00 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 3i3b n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i3b s TYR 285 N -1.58 2.72 0.29 1.61 2.02 -1.26 -4.88 117.35 116.27 3i3b s TYR 285 Ca 0.00 -0.51 0.32 0.00 -0.37 0.00 0.00 57.07 56.51 3i3b s TYR 285 Cb 0.00 -4.23 1.50 0.00 -0.40 0.00 0.00 41.96 38.83 3i3b s TYR 285 CO 0.00 -1.58 2.05 0.00 -1.57 0.00 0.00 175.55 174.45 3i3b h ALA 286 N 9.50 1.08 -0.50 3.71 0.00 -1.94 -0.76 119.26 130.36 3i3b h ALA 286 Ca -0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3i3b h ALA 286 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i3b h ALA 286 CO 1.16 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 180.10 3i3b n ASP 287 N -3.30 5.00 -4.16 0.00 5.75 -1.26 -3.31 116.55 115.26 3i3b n ASP 287 Ca -0.01 -2.77 -0.10 0.00 -0.01 0.00 0.00 54.79 51.90 3i3b n ASP 287 Cb 0.27 -0.65 -0.10 0.00 -1.03 0.00 0.00 41.12 39.61 3i3b n ASP 287 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3i3b s ARG 288 N -2.46 0.92 -0.21 0.11 0.52 -1.02 -1.90 118.95 114.92 3i3b s ARG 288 Ca 0.46 -1.42 -0.25 0.00 -0.52 0.00 0.00 55.73 54.00 3i3b s ARG 288 Cb 0.35 0.08 0.07 0.00 0.52 0.00 0.00 34.95 35.97 3i3b s ARG 288 CO 0.14 -0.19 0.68 0.54 0.02 0.00 0.00 175.30 176.49 3i3b s VAL 289 N -3.91 0.00 -0.16 3.52 0.11 -0.89 -0.67 120.40 118.40 3i3b s VAL 289 Ca 0.21 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 3i3b s VAL 289 Cb 0.07 -0.96 0.01 0.00 -1.53 0.00 0.00 36.38 33.97 3i3b s VAL 289 CO 0.00 -0.01 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.70 3i3b s THR 290 N -0.02 2.39 -0.13 5.04 2.01 -1.26 -1.12 115.64 122.55 3i3b s THR 290 Ca -0.03 -0.85 -0.07 0.00 0.31 0.00 0.00 61.69 61.05 3i3b s THR 290 Cb -0.04 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 3i3b s THR 290 CO 0.03 0.52 0.12 -0.76 -0.69 0.00 0.00 174.62 173.84 3i3b s LEU 291 N 0.98 4.23 -0.14 4.42 2.01 -0.16 -4.93 118.68 125.09 3i3b s LEU 291 Ca -0.03 0.38 0.01 0.00 0.01 0.00 0.00 54.13 54.51 3i3b s LEU 291 Cb -0.15 -2.03 0.02 0.00 0.01 0.00 0.00 46.19 44.04 3i3b s LEU 291 CO -0.04 0.37 -0.17 -0.13 1.01 0.00 0.00 176.35 177.39 3i3b s ARG 292 N -0.79 2.50 -0.06 1.70 0.52 -1.26 -0.46 118.95 121.10 3i3b s ARG 292 Ca 0.13 -0.65 0.05 0.00 -0.52 0.00 0.00 55.73 54.75 3i3b s ARG 292 Cb -0.12 -2.17 -0.01 0.00 0.52 0.00 0.00 34.95 33.17 3i3b s ARG 292 CO 0.03 -0.15 -0.22 -0.51 0.02 0.00 0.00 175.30 174.47 3i3b s LEU 293 N 1.20 2.23 -0.10 2.53 1.02 0.53 -4.87 118.68 121.22 3i3b s LEU 293 Ca -0.00 -0.45 -0.15 0.00 0.02 0.00 0.00 54.13 53.55 3i3b s LEU 293 Cb -0.14 -1.42 -0.05 0.00 0.02 0.00 0.00 46.19 44.60 3i3b s LEU 293 CO -0.07 0.25 0.36 0.20 0.02 0.00 0.00 176.35 177.11 3i3b s ASN 294 N -0.21 6.60 -0.11 2.29 -0.87 -1.26 -0.12 114.94 121.26 3i3b s ASN 294 Ca -0.02 0.71 0.00 0.00 -1.57 0.00 0.00 52.86 51.99 3i3b s ASN 294 Cb -0.13 -2.22 0.02 0.00 -0.02 0.00 0.00 41.25 38.90 3i3b s ASN 294 CO 0.03 0.16 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.93 3i3b s VAL 295 N -0.06 1.21 -0.01 1.60 1.01 0.66 -4.86 120.40 119.96 3i3b s VAL 295 Ca 0.21 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 3i3b s VAL 295 Cb -0.14 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 3i3b s VAL 295 CO 0.08 0.39 0.57 -1.61 0.00 0.00 0.00 175.10 174.54 3i3b s GLU 296 N 1.40 4.29 -1.36 2.72 0.41 -1.26 -0.51 118.70 124.38 3i3b s GLU 296 Ca 0.00 0.69 -0.16 0.00 -0.41 0.00 0.00 54.97 55.09 3i3b s GLU 296 Cb -0.13 -3.34 0.02 0.00 -1.78 0.00 0.00 34.13 28.90 3i3b s GLU 296 CO -0.06 0.38 0.40 0.09 -0.49 0.00 0.00 175.26 175.58 3i3b n ASN 297 N 2.70 -1.79 -4.73 -0.19 4.13 0.38 -4.87 115.26 110.88 3i3b n ASN 297 Ca -0.07 -1.23 -0.36 0.00 1.68 0.00 0.00 54.58 54.60 3i3b n ASN 297 Cb 0.51 -1.97 0.07 0.00 -1.54 0.00 0.00 39.78 36.85 3i3b n ASN 297 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3i3b s PRO 298 N -7.18 2.51 -0.16 3.52 0.04 -1.26 -4.94 135.00 127.53 3i3b s PRO 298 Ca 0.24 1.89 -0.28 0.00 0.04 0.00 0.00 61.00 62.89 3i3b s PRO 298 Cb -0.12 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 3i3b s PRO 298 CO 0.96 -1.58 0.95 0.15 0.04 0.00 0.00 177.00 177.52 3i3b s LYS 299 N -3.56 4.34 0.18 4.56 1.02 -1.26 -5.01 119.74 120.02 3i3b s LYS 299 Ca 0.78 1.25 -0.28 0.00 0.02 0.00 0.00 55.97 57.75 3i3b s LYS 299 Cb -0.33 -3.58 -0.08 0.00 -0.52 0.00 0.00 37.83 33.33 3i3b s LYS 299 CO 0.40 -0.39 0.86 -0.51 -0.92 0.00 0.00 175.35 174.79 3i3b s LEU 300 N 2.33 4.60 0.18 3.17 1.43 -1.26 -4.38 118.68 124.74 3i3b s LEU 300 Ca 0.44 1.78 -0.18 0.00 -1.03 0.00 0.00 54.13 55.13 3i3b s LEU 300 Cb -0.17 -3.45 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 3i3b s LEU 300 CO 0.13 0.15 0.65 0.86 0.23 0.00 0.00 176.35 178.37 3i3b s TRP 301 N -0.97 3.66 0.07 0.29 -0.00 0.12 -4.04 118.94 118.08 3i3b s TRP 301 Ca 0.39 1.28 -0.27 0.00 -0.00 0.00 0.00 56.10 57.50 3i3b s TRP 301 Cb -0.24 -2.53 0.08 0.00 -0.00 0.00 0.00 33.47 30.78 3i3b s TRP 301 CO 0.29 0.40 0.95 -1.54 -0.00 0.00 0.00 176.95 177.05 3i3b s SER 302 N -1.60 -0.25 0.46 5.86 1.04 -1.08 -4.64 113.70 113.50 3i3b s SER 302 Ca 0.39 -0.21 0.24 0.00 0.48 0.00 0.00 55.95 56.86 3i3b s SER 302 Cb -0.17 0.42 1.10 0.00 0.10 0.00 0.00 66.02 67.47 3i3b s SER 302 CO 0.20 -0.74 1.91 0.00 0.98 0.00 0.00 173.24 175.60 3i3b h ALA 303 N 2.00 1.14 0.05 5.32 0.00 -1.91 -1.99 119.26 123.88 3i3b h ALA 303 Ca -0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 3i3b h ALA 303 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3i3b h ALA 303 CO 0.28 0.26 -0.03 0.93 0.00 0.00 0.00 179.25 180.69 3i3b h GLU 304 N 0.00 -0.07 -3.03 0.00 5.08 -1.93 -3.42 114.58 111.21 3i3b h GLU 304 Ca -0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 3i3b h GLU 304 Cb 0.59 0.02 -0.40 0.00 0.50 0.00 0.00 28.75 29.46 3i3b h GLU 304 CO 0.03 0.45 -0.77 0.42 -1.00 0.00 0.00 179.01 178.14 3i3b s ILE 305 N -3.89 0.87 -0.87 3.13 1.01 -1.13 -4.99 121.20 115.33 3i3b s ILE 305 Ca -0.15 -1.93 -0.09 0.00 0.00 0.00 0.00 60.65 58.48 3i3b s ILE 305 Cb 0.01 -1.63 -0.07 0.00 0.01 0.00 0.00 42.46 40.78 3i3b s ILE 305 CO 0.63 -0.85 2.05 -0.81 0.00 0.00 0.00 174.94 175.96 3i3b n PRO 306 N 4.12 1.94 -2.05 2.79 -0.04 -0.76 -2.62 135.00 138.38 3i3b n PRO 306 Ca 0.06 -1.52 -0.42 0.00 -0.04 0.00 0.00 63.50 61.57 3i3b n PRO 306 Cb 0.37 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.27 3i3b n PRO 306 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i3b s ASN 307 N 3.75 6.70 0.14 3.54 0.01 -1.26 -4.88 114.94 122.93 3i3b s ASN 307 Ca 0.42 2.23 0.11 0.00 -0.71 0.00 0.00 52.86 54.91 3i3b s ASN 307 Cb 0.11 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.19 3i3b s ASN 307 CO -0.00 -0.88 -0.25 -0.76 -1.51 0.00 0.00 177.10 173.69 3i3b s LEU 308 N 3.52 2.34 0.39 0.60 1.43 -1.26 -4.11 118.68 121.59 3i3b s LEU 308 Ca 0.71 -0.76 0.08 0.00 -1.03 0.00 0.00 54.13 53.13 3i3b s LEU 308 Cb -0.33 -1.15 -0.08 0.00 0.03 0.00 0.00 46.19 44.66 3i3b s LEU 308 CO 0.29 0.15 -0.01 -0.31 0.23 0.00 0.00 176.35 176.69 3i3b s TYR 309 N -1.18 2.49 -0.13 0.29 1.51 0.34 -4.84 117.35 115.83 3i3b s TYR 309 Ca 0.14 -0.63 0.03 0.00 -1.01 0.00 0.00 57.07 55.60 3i3b s TYR 309 Cb -0.10 -1.69 0.01 0.00 -0.11 0.00 0.00 41.96 40.08 3i3b s TYR 309 CO 0.06 0.48 -0.21 0.50 -1.11 0.00 0.00 175.55 175.27 3i3b s ARG 310 N -3.69 2.92 -0.21 -0.62 6.06 0.65 -0.11 118.95 123.96 3i3b s ARG 310 Ca 0.34 -0.82 -0.05 0.00 -2.50 0.00 0.00 55.73 52.70 3i3b s ARG 310 Cb 0.08 -2.35 -0.02 0.00 0.06 0.00 0.00 34.95 32.72 3i3b s ARG 310 CO 0.18 0.00 -0.00 0.00 -2.50 0.00 0.00 175.30 172.98 3i3b s ALA 311 N 0.78 3.00 -0.18 6.12 0.00 -0.64 0.51 121.76 131.35 3i3b s ALA 311 Ca -0.08 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 3i3b s ALA 311 Cb -0.16 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 3i3b s ALA 311 CO -0.01 -0.25 -0.03 0.08 0.00 0.00 0.00 175.76 175.56 3i3b s VAL 312 N 1.17 3.83 -0.30 0.00 1.01 -0.37 -2.22 120.40 123.52 3i3b s VAL 312 Ca 0.03 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3i3b s VAL 312 Cb -0.14 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.55 3i3b s VAL 312 CO 0.01 0.46 0.07 -0.69 0.00 0.00 0.00 175.10 174.95 3i3b s VAL 313 N 0.73 3.76 -0.17 2.92 1.01 0.42 -1.54 120.40 127.53 3i3b s VAL 313 Ca -0.01 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 3i3b s VAL 313 Cb -0.14 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3i3b s VAL 313 CO 0.02 0.02 0.00 -1.61 0.00 0.00 0.00 175.10 173.53 3i3b s GLU 314 N 1.45 3.77 -0.34 2.72 2.02 -0.00 -1.09 118.70 127.23 3i3b s GLU 314 Ca 0.01 -0.46 -0.12 0.00 0.02 0.00 0.00 54.97 54.42 3i3b s GLU 314 Cb -0.18 -3.04 -0.01 0.00 0.10 0.00 0.00 34.13 31.00 3i3b s GLU 314 CO 0.02 0.22 0.23 -1.17 0.02 0.00 0.00 175.26 174.58 3i3b s LEU 315 N 0.45 4.53 0.00 1.80 2.96 -0.18 -1.50 118.68 126.74 3i3b s LEU 315 Ca -0.01 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3i3b s LEU 315 Cb -0.14 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.44 3i3b s LEU 315 CO 0.02 -0.26 0.08 0.00 -1.32 0.00 0.00 176.35 174.87 3i3b n HIS 316 N 5.08 -0.40 -4.14 5.38 1.44 -0.31 -0.39 115.22 121.89 3i3b n HIS 316 Ca -0.13 -0.52 -0.22 0.00 -2.01 0.00 0.00 57.72 54.84 3i3b n HIS 316 Cb 0.49 0.09 -0.06 0.00 0.12 0.00 0.00 29.99 30.63 3i3b n HIS 316 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3i3b s THR 317 N -2.39 3.69 0.45 0.61 -4.23 -0.24 0.15 115.64 113.69 3i3b s THR 317 Ca 0.07 -1.64 0.14 0.00 -1.18 0.00 0.00 61.69 59.08 3i3b s THR 317 Cb 0.00 -3.09 0.20 0.00 1.34 0.00 0.00 72.50 70.94 3i3b s THR 317 CO 0.05 -0.30 2.01 0.00 -0.54 0.00 0.00 174.62 175.84 3i3b h ALA 318 N 1.61 1.73 -0.05 3.99 0.00 -0.93 -2.02 119.26 123.59 3i3b h ALA 318 Ca -0.46 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3i3b h ALA 318 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3i3b h ALA 318 CO 0.61 0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.66 3i3b n ASP 319 N -4.35 0.50 0.00 0.00 5.75 -1.26 -4.91 116.55 112.27 3i3b n ASP 319 Ca -0.02 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 3i3b n ASP 319 Cb 0.22 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 3i3b n ASP 319 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i3b n GLY 320 N 0.90 0.87 3.67 6.12 0.00 -0.76 -5.09 105.19 110.90 3i3b n GLY 320 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3i3b n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3b s THR 321 N -2.00 5.08 -0.02 2.61 2.01 -1.26 -4.86 115.64 117.20 3i3b s THR 321 Ca 0.00 1.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.77 3i3b s THR 321 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 3i3b s THR 321 CO 0.00 0.18 0.96 -0.22 -0.69 0.00 0.00 174.62 174.85 3i3b s LEU 322 N 1.54 4.35 -0.17 4.42 2.96 -1.26 -1.08 118.68 129.45 3i3b s LEU 322 Ca 0.27 1.61 -0.07 0.00 -0.22 0.00 0.00 54.13 55.71 3i3b s LEU 322 Cb -0.16 -3.53 -0.23 0.00 0.50 0.00 0.00 46.19 42.78 3i3b s LEU 322 CO 0.10 -0.27 0.19 -0.38 -1.32 0.00 0.00 176.35 174.67 3i3b n ILE 323 N 3.98 1.68 -3.60 6.68 5.41 0.48 -4.98 119.36 129.00 3i3b n ILE 323 Ca 0.06 -0.54 -0.03 0.00 1.00 0.00 0.00 62.75 63.24 3i3b n ILE 323 Cb 0.51 -1.72 -0.02 0.00 -0.71 0.00 0.00 39.64 37.70 3i3b n ILE 323 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3i3b s GLU 324 N -2.52 0.32 0.00 0.38 -1.05 -1.05 -4.88 118.70 109.91 3i3b s GLU 324 Ca -0.27 -0.14 -0.02 0.00 -0.15 0.00 0.00 54.97 54.40 3i3b s GLU 324 Cb 0.07 0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.89 3i3b s GLU 324 CO 0.70 -0.14 0.03 0.00 0.95 0.00 0.00 175.26 176.79 3i3b s ALA 325 N -2.40 -0.04 0.28 -0.84 0.00 0.34 -1.01 121.76 118.08 3i3b s ALA 325 Ca 0.11 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.88 3i3b s ALA 325 Cb 0.01 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.12 3i3b s ALA 325 CO -0.04 -0.11 0.05 -1.21 0.00 0.00 0.00 175.76 174.45 3i3b s GLU 326 N -0.80 1.50 0.23 0.00 0.41 -0.25 -1.76 118.70 118.03 3i3b s GLU 326 Ca -0.09 -1.81 -0.21 0.00 -0.41 0.00 0.00 54.97 52.45 3i3b s GLU 326 Cb -0.05 -0.64 0.06 0.00 -1.78 0.00 0.00 34.13 31.72 3i3b s GLU 326 CO -0.00 -0.19 0.94 0.00 -0.49 0.00 0.00 175.26 175.52 3i3b s ALA 327 N -3.45 -1.40 -0.06 5.21 0.00 -1.26 -0.44 121.76 120.35 3i3b s ALA 327 Ca 0.35 -0.30 -0.31 0.00 0.00 0.00 0.00 51.96 51.70 3i3b s ALA 327 Cb 0.08 0.71 0.11 0.00 0.00 0.00 0.00 23.12 24.02 3i3b s ALA 327 CO 0.13 -1.04 0.99 0.00 0.00 0.00 0.00 175.76 175.84 3i3b s ASP 329 N -2.39 7.42 -0.08 0.00 1.01 -1.26 -1.63 116.67 119.74 3i3b s ASP 329 Ca 0.06 1.68 0.01 0.00 0.71 0.00 0.00 52.55 55.02 3i3b s ASP 329 Cb -0.01 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 3i3b s ASP 329 CO -0.08 0.14 -0.11 -0.69 0.21 0.00 0.00 175.17 174.65 3i3b s VAL 330 N -0.87 3.32 -0.16 -1.27 1.01 0.84 -4.69 120.40 118.58 3i3b s VAL 330 Ca 0.38 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3i3b s VAL 330 Cb -0.23 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.82 3i3b s VAL 330 CO 0.27 0.57 -0.18 -0.83 0.00 0.00 0.00 175.10 174.94 3i3b s GLY 331 N -0.45 1.28 -0.53 4.51 0.00 -1.26 -0.50 107.32 110.36 3i3b s GLY 331 Ca 0.06 -1.08 -0.26 0.00 0.00 0.00 0.00 44.72 43.43 3i3b s GLY 331 CO 0.02 0.36 1.04 -1.36 0.00 0.00 0.00 173.10 173.17 3i3b s PHE 332 N 1.34 2.76 -0.06 1.90 0.40 -1.26 -4.82 117.98 118.24 3i3b s PHE 332 Ca 0.04 0.29 -0.30 0.00 -0.60 0.00 0.00 56.93 56.36 3i3b s PHE 332 Cb -0.13 -4.24 0.07 0.00 0.51 0.00 0.00 43.02 39.23 3i3b s PHE 332 CO -0.11 -1.36 0.68 -0.98 0.70 0.00 0.00 175.22 174.14 3i3b s ARG 333 N 4.29 1.04 -0.16 0.44 3.03 -1.26 0.15 118.95 126.48 3i3b s ARG 333 Ca 0.38 0.30 -0.01 0.00 2.03 0.00 0.00 55.73 58.43 3i3b s ARG 333 Cb -0.10 0.49 -0.01 0.00 -1.03 0.00 0.00 34.95 34.30 3i3b s ARG 333 CO 0.24 -0.31 -0.11 -2.00 -1.13 0.00 0.00 175.30 171.99 3i3b s GLU 334 N -1.10 3.37 -0.19 3.89 2.12 -1.26 -4.90 118.70 120.63 3i3b s GLU 334 Ca -0.10 -0.67 -0.02 0.00 0.36 0.00 0.00 54.97 54.53 3i3b s GLU 334 Cb -0.00 -2.74 -0.00 0.00 0.26 0.00 0.00 34.13 31.64 3i3b s GLU 334 CO 0.09 0.08 -0.09 0.08 -0.54 0.00 0.00 175.26 174.88 3i3b s VAL 335 N 0.71 3.05 -0.07 3.70 1.01 -1.26 -0.74 120.40 126.80 3i3b s VAL 335 Ca -0.05 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 3i3b s VAL 335 Cb -0.15 -2.35 0.06 0.00 0.00 0.00 0.00 36.38 33.95 3i3b s VAL 335 CO 0.02 0.47 0.64 0.00 0.00 0.00 0.00 175.10 176.23 3i3b s ARG 336 N 1.18 0.98 -0.22 2.72 1.70 -0.74 -4.62 118.95 119.95 3i3b s ARG 336 Ca 0.02 0.30 -0.11 0.00 -0.47 0.00 0.00 55.73 55.47 3i3b s ARG 336 Cb -0.14 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.65 3i3b s ARG 336 CO -0.03 -0.28 0.16 0.42 -1.08 0.00 0.00 175.30 174.49 3i3b s ILE 337 N -1.00 5.37 -0.02 4.99 1.01 -1.26 -0.19 121.20 130.10 3i3b s ILE 337 Ca -0.10 0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.76 3i3b s ILE 337 Cb -0.01 -3.50 0.03 0.00 0.01 0.00 0.00 42.46 38.98 3i3b s ILE 337 CO 0.08 0.37 0.04 -0.70 0.00 0.00 0.00 174.94 174.73 3i3b s GLU 338 N 0.85 -0.02 -1.30 2.79 2.12 0.80 -4.82 118.70 119.12 3i3b s GLU 338 Ca 0.08 0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.57 3i3b s GLU 338 Cb -0.13 -0.21 0.01 0.00 0.26 0.00 0.00 34.13 34.07 3i3b s GLU 338 CO 0.03 -0.15 0.18 -1.71 -0.54 0.00 0.00 175.26 173.07 3i3b n ASN 339 N 4.03 -4.54 0.00 -1.70 5.15 -1.26 -0.95 115.26 115.98 3i3b n ASN 339 Ca -0.26 -0.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.71 3i3b n ASN 339 Cb 0.52 -3.79 0.00 0.00 -0.53 0.00 0.00 39.78 35.97 3i3b n ASN 339 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i3b n GLY 340 N -1.01 0.72 3.20 8.20 0.00 -1.26 -5.05 105.19 110.00 3i3b n GLY 340 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 3i3b n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3b s LEU 341 N 0.00 2.01 -0.35 0.99 1.43 -0.13 -3.11 118.68 119.53 3i3b s LEU 341 Ca 0.00 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 52.45 3i3b s LEU 341 Cb 0.00 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 45.17 3i3b s LEU 341 CO 0.00 0.23 0.98 -0.22 0.23 0.00 0.00 176.35 177.57 3i3b s LEU 342 N -0.32 3.96 0.01 1.79 2.96 -1.26 -0.14 118.68 125.68 3i3b s LEU 342 Ca 0.04 0.78 0.04 0.00 -0.22 0.00 0.00 54.13 54.76 3i3b s LEU 342 Cb -0.09 -3.37 -0.03 0.00 0.50 0.00 0.00 46.19 43.19 3i3b s LEU 342 CO 0.00 -0.86 -0.08 -0.76 -1.32 0.00 0.00 176.35 173.34 3i3b s LEU 343 N 3.53 3.11 -0.18 -0.68 1.43 0.74 -2.28 118.68 124.35 3i3b s LEU 343 Ca 0.41 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3i3b s LEU 343 Cb -0.12 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.35 3i3b s LEU 343 CO 0.17 0.28 -0.13 -0.22 0.23 0.00 0.00 176.35 176.68 3i3b s LEU 344 N -1.42 2.11 -1.44 1.79 2.96 0.56 -1.79 118.68 121.46 3i3b s LEU 344 Ca 0.17 -0.75 -0.07 0.00 -0.22 0.00 0.00 54.13 53.26 3i3b s LEU 344 Cb -0.11 -1.26 0.05 0.00 0.50 0.00 0.00 46.19 45.37 3i3b s LEU 344 CO 0.07 -0.10 0.77 0.59 -1.32 0.00 0.00 176.35 176.36 3i3b n ASN 345 N 4.70 -2.58 0.00 3.68 3.02 0.08 -1.37 115.26 122.80 3i3b n ASN 345 Ca -0.16 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 3i3b n ASN 345 Cb 0.48 -3.72 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 3i3b n ASN 345 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i3b n GLY 346 N -1.68 1.65 3.62 7.41 0.00 -1.26 -5.01 105.19 109.92 3i3b n GLY 346 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3i3b n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3b s LYS 347 N -0.08 2.73 -0.20 1.61 -0.14 -0.47 -5.00 119.74 118.20 3i3b s LYS 347 Ca 0.00 -0.59 -0.29 0.00 -1.36 0.00 0.00 55.97 53.73 3i3b s LYS 347 Cb 0.00 -2.61 -0.02 0.00 -1.68 0.00 0.00 37.83 33.53 3i3b s LYS 347 CO 0.00 0.65 1.35 -1.25 -0.76 0.00 0.00 175.35 175.34 3i3b s PRO 348 N -1.13 4.09 0.68 -1.68 0.04 -1.26 -0.32 135.00 135.42 3i3b s PRO 348 Ca 0.15 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 3i3b s PRO 348 Cb -0.11 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.59 3i3b s PRO 348 CO 0.05 -0.90 1.07 -0.51 0.04 0.00 0.00 177.00 176.75 3i3b s LEU 349 N 3.98 3.25 -0.33 -3.56 1.43 -0.97 -4.96 118.68 117.51 3i3b s LEU 349 Ca 0.59 1.77 -0.00 0.00 -1.03 0.00 0.00 54.13 55.45 3i3b s LEU 349 Cb -0.22 -4.52 0.11 0.00 0.03 0.00 0.00 46.19 41.59 3i3b s LEU 349 CO 0.20 -1.52 0.13 -0.22 0.23 0.00 0.00 176.35 175.17 3i3b s LEU 350 N -5.24 2.17 -0.27 1.79 2.96 -1.26 -4.77 118.68 114.06 3i3b s LEU 350 Ca 0.61 -1.81 -0.29 0.00 -0.22 0.00 0.00 54.13 52.43 3i3b s LEU 350 Cb -0.16 -0.84 -0.01 0.00 0.50 0.00 0.00 46.19 45.67 3i3b s LEU 350 CO 0.48 -0.39 1.50 -0.63 -1.32 0.00 0.00 176.35 175.99 3i3b s ILE 351 N 1.41 3.85 -0.89 6.68 -1.09 0.51 -4.92 121.20 126.76 3i3b s ILE 351 Ca 0.11 0.95 -0.00 0.00 -2.23 0.00 0.00 60.65 59.48 3i3b s ILE 351 Cb -0.19 -3.90 0.26 0.00 -1.58 0.00 0.00 42.46 37.05 3i3b s ILE 351 CO -0.20 -0.40 1.01 0.54 -1.23 0.00 0.00 174.94 174.65 3i3b n ARG 352 N 7.62 3.23 -3.80 2.79 1.74 -1.26 -2.40 116.66 124.58 3i3b n ARG 352 Ca 0.17 -4.56 -0.23 0.00 -0.77 0.00 0.00 57.85 52.46 3i3b n ARG 352 Cb 0.46 -2.40 -0.03 0.00 -1.02 0.00 0.00 32.46 29.46 3i3b n ARG 352 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3i3b s GLY 353 N -1.33 2.26 -0.03 -0.13 0.00 -0.55 -0.91 107.32 106.62 3i3b s GLY 353 Ca 0.33 -1.76 -0.08 0.00 0.00 0.00 0.00 44.72 43.21 3i3b s GLY 353 CO -0.02 -1.83 0.19 0.54 0.00 0.00 0.00 173.10 171.99 3i3b s VAL 354 N -2.60 0.05 0.21 1.40 0.11 -0.85 -0.72 120.40 118.00 3i3b s VAL 354 Ca 0.42 -0.38 -0.26 0.00 -2.93 0.00 0.00 61.98 58.84 3i3b s VAL 354 Cb -0.01 -0.40 -0.08 0.00 -1.53 0.00 0.00 36.38 34.36 3i3b s VAL 354 CO 0.25 -0.21 0.83 0.20 -3.33 0.00 0.00 175.10 172.84 3i3b s ASN 355 N -0.76 7.40 -0.03 3.54 0.01 0.42 -1.81 114.94 123.71 3i3b s ASN 355 Ca -0.08 1.71 -0.01 0.00 -0.71 0.00 0.00 52.86 53.76 3i3b s ASN 355 Cb -0.05 -2.52 0.03 0.00 0.41 0.00 0.00 41.25 39.12 3i3b s ASN 355 CO 0.01 0.14 0.05 -0.60 -1.51 0.00 0.00 177.10 175.20 3i3b s ARG 356 N -1.37 -0.06 0.29 -0.60 3.52 -0.90 -0.94 118.95 118.89 3i3b s ARG 356 Ca 0.39 0.32 -0.02 0.00 -0.13 0.00 0.00 55.73 56.29 3i3b s ARG 356 Cb -0.22 -0.43 -0.04 0.00 -1.56 0.00 0.00 34.95 32.70 3i3b s ARG 356 CO 0.27 -0.28 0.51 -1.01 -0.81 0.00 0.00 175.30 173.98 3i3b s HIS 357 N 1.82 3.49 -0.69 5.12 3.76 -1.26 -3.66 115.29 123.86 3i3b s HIS 357 Ca 0.00 0.46 -0.21 0.00 -0.15 0.00 0.00 55.06 55.16 3i3b s HIS 357 Cb -0.12 -1.97 0.09 0.00 1.11 0.00 0.00 32.58 31.69 3i3b s HIS 357 CO -0.03 0.21 0.94 -1.21 -0.85 0.00 0.00 174.74 173.80 3i3b s GLU 358 N -3.76 3.17 -0.01 1.40 2.02 -1.26 -4.93 118.70 115.33 3i3b s GLU 358 Ca 0.41 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 54.34 3i3b s GLU 358 Cb -0.10 -4.34 0.01 0.00 0.10 0.00 0.00 34.13 29.80 3i3b s GLU 358 CO 0.32 -1.76 -0.01 -1.58 0.02 0.00 0.00 175.26 172.25 3i3b s HIS 359 N 3.60 0.15 -0.06 1.61 2.46 -1.26 -4.47 115.29 117.33 3i3b s HIS 359 Ca 0.22 0.00 0.00 0.00 0.47 0.00 0.00 55.06 55.75 3i3b s HIS 359 Cb -0.16 -0.17 0.02 0.00 -0.13 0.00 0.00 32.58 32.14 3i3b s HIS 359 CO 0.06 -0.04 -0.04 -1.58 -2.47 0.00 0.00 174.74 170.68 3i3b s HIS 360 N 0.32 0.80 0.58 3.88 5.04 0.15 -5.01 115.29 121.05 3i3b s HIS 360 Ca -0.03 -0.24 0.29 0.00 -1.54 0.00 0.00 55.06 53.53 3i3b s HIS 360 Cb -0.05 -0.75 1.50 0.00 0.04 0.00 0.00 32.58 33.31 3i3b s HIS 360 CO -0.01 -0.25 1.94 -1.00 -2.34 0.00 0.00 174.74 173.08 3i3b h PRO 361 N 7.56 0.00 0.00 2.88 0.13 -1.78 -0.30 132.00 140.49 3i3b h PRO 361 Ca -0.32 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.50 3i3b h PRO 361 Cb 1.14 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 3i3b h PRO 361 CO 0.41 0.00 -2.13 1.28 -0.23 0.00 0.00 178.00 177.33 3i3b n LEU 362 N -3.84 2.56 -1.26 1.56 4.77 -1.26 -1.54 117.00 117.99 3i3b n LEU 362 Ca 0.08 -0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.16 3i3b n LEU 362 Cb 0.63 -0.66 0.30 0.00 -2.33 0.00 0.00 43.42 41.35 3i3b n LEU 362 CO 0.29 0.72 0.75 1.41 -1.33 0.00 0.00 177.39 179.23 3i3b n HIS 363 N -3.32 0.95 0.00 -1.77 8.25 -1.20 -4.94 115.22 113.19 3i3b n HIS 363 Ca -0.36 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 56.64 3i3b n HIS 363 Cb 0.85 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.92 3i3b n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i3b n GLY 364 N 1.48 1.58 0.94 -1.41 0.00 -0.13 -2.59 105.19 105.06 3i3b n GLY 364 Ca 0.22 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.48 3i3b n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i3b n GLN 365 N 0.88 3.10 -3.03 1.61 6.02 -1.26 0.32 117.38 125.02 3i3b n GLN 365 Ca 0.00 -2.67 -0.40 0.00 -0.01 0.00 0.00 57.00 53.91 3i3b n GLN 365 Cb 0.00 -1.74 -0.05 0.00 1.02 0.00 0.00 30.24 29.48 3i3b n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3i3b s VAL 366 N -2.31 4.99 -0.11 5.09 1.01 -1.07 -4.85 120.40 123.16 3i3b s VAL 366 Ca 0.39 1.41 -0.04 0.00 0.00 0.00 0.00 61.98 63.73 3i3b s VAL 366 Cb 0.29 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3i3b s VAL 366 CO 0.12 0.14 0.06 -0.04 0.00 0.00 0.00 175.10 175.37 3i3b s MET 367 N 1.58 3.25 0.15 2.72 -1.94 -1.26 -4.72 119.30 119.08 3i3b s MET 367 Ca 0.35 -0.30 0.10 0.00 -1.71 0.00 0.00 55.69 54.12 3i3b s MET 367 Cb -0.17 -2.97 -0.04 0.00 2.01 0.00 0.00 34.83 33.66 3i3b s MET 367 CO 0.14 0.68 -0.22 0.16 -0.01 0.00 0.00 175.02 175.77 3i3b s ASP 368 N -0.80 2.95 0.26 3.03 -4.77 -1.26 -5.03 116.67 111.04 3i3b s ASP 368 Ca 0.13 -0.81 -0.02 0.00 -3.30 0.00 0.00 52.55 48.55 3i3b s ASP 368 Cb -0.12 -0.19 0.48 0.00 -1.09 0.00 0.00 42.92 42.00 3i3b s ASP 368 CO 0.03 0.06 1.78 -0.08 0.70 0.00 0.00 175.17 177.66 3i3b h GLU 369 N 3.51 0.68 -0.74 2.11 4.81 -1.99 -2.08 114.58 120.88 3i3b h GLU 369 Ca -0.45 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 58.80 3i3b h GLU 369 Cb 1.20 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 3i3b h GLU 369 CO 0.46 0.45 0.43 0.37 -0.73 0.00 0.00 179.01 179.99 3i3b h GLN 370 N 0.70 0.76 -0.15 1.92 4.15 -1.99 -0.34 115.11 120.16 3i3b h GLN 370 Ca 0.44 -0.05 -0.20 0.00 0.77 0.00 0.00 58.65 59.61 3i3b h GLN 370 Cb 0.53 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3i3b h GLN 370 CO -0.31 0.50 -0.72 1.15 -1.93 0.00 0.00 178.83 177.52 3i3b h THR 371 N 0.78 1.31 -0.39 2.39 2.02 -1.82 -1.87 112.91 115.32 3i3b h THR 371 Ca 0.33 -1.97 -0.03 0.00 0.77 0.00 0.00 66.41 65.51 3i3b h THR 371 Cb 0.20 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 3i3b h THR 371 CO -0.19 0.62 0.14 0.24 0.37 0.00 0.00 175.52 176.70 3i3b h MET 372 N 0.47 0.60 -0.44 6.66 2.86 -0.98 -1.25 114.93 122.86 3i3b h MET 372 Ca -0.03 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3i3b h MET 372 Cb 1.32 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 3i3b h MET 372 CO 0.14 0.58 0.20 0.28 1.06 0.00 0.00 176.91 179.17 3i3b h VAL 373 N 0.49 1.19 -0.89 -2.22 2.07 -1.08 -1.25 116.25 114.56 3i3b h VAL 373 Ca 0.13 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.17 3i3b h VAL 373 Cb 0.22 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3i3b h VAL 373 CO -0.01 0.21 0.56 -0.61 0.02 0.00 0.00 177.57 177.74 3i3b h GLN 374 N 0.57 0.97 0.10 1.57 4.15 -1.11 -1.09 115.11 120.27 3i3b h GLN 374 Ca 0.15 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 3i3b h GLN 374 Cb 0.14 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.62 3i3b h GLN 374 CO -0.02 0.64 -0.05 -0.44 -1.93 0.00 0.00 178.83 177.04 3i3b h ASP 375 N 1.00 -0.11 -0.86 -0.69 3.32 -0.83 -2.41 116.42 115.84 3i3b h ASP 375 Ca 0.40 -0.29 0.10 0.00 0.02 0.00 0.00 57.03 57.26 3i3b h ASP 375 Cb 0.20 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.71 3i3b h ASP 375 CO -0.18 0.24 0.50 0.40 -1.72 0.00 0.00 179.24 178.47 3i3b h ILE 376 N -0.47 0.92 -0.08 0.35 2.04 -0.95 0.85 117.51 120.17 3i3b h ILE 376 Ca -0.01 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3i3b h ILE 376 Cb 0.39 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3i3b h ILE 376 CO 0.02 0.15 0.03 -0.07 0.00 0.00 0.00 178.15 178.29 3i3b h LEU 377 N 0.84 0.11 -1.09 1.44 3.38 -1.19 -0.86 115.31 117.93 3i3b h LEU 377 Ca 0.41 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 3i3b h LEU 377 Cb 0.37 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3i3b h LEU 377 CO -0.25 0.23 0.29 -0.07 0.09 0.00 0.00 178.44 178.74 3i3b h LEU 378 N -0.02 0.84 0.33 1.67 3.38 -0.89 -0.25 115.31 120.37 3i3b h LEU 378 Ca 0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3i3b h LEU 378 Cb 0.15 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3i3b h LEU 378 CO -0.00 0.73 -0.16 0.24 0.09 0.00 0.00 178.44 179.34 3i3b h MET 379 N 0.92 -0.43 -0.62 1.13 2.86 -0.58 -1.85 114.93 116.36 3i3b h MET 379 Ca 0.22 0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.84 3i3b h MET 379 Cb 0.13 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3i3b h MET 379 CO -0.03 -0.18 0.19 0.87 1.06 0.00 0.00 176.91 178.82 3i3b h LYS 380 N -0.60 0.95 0.00 1.72 1.57 -1.02 -0.88 116.57 118.30 3i3b h LYS 380 Ca -0.05 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 3i3b h LYS 380 Cb 0.44 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3i3b h LYS 380 CO 0.07 0.81 -0.14 1.96 -0.57 0.00 0.00 179.45 181.59 3i3b h GLN 381 N 0.92 0.00 -0.84 3.15 4.20 -0.98 -2.06 115.11 119.49 3i3b h GLN 381 Ca 0.21 0.00 -0.42 0.00 0.06 0.00 0.00 58.65 58.50 3i3b h GLN 381 Cb 0.26 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 27.79 3i3b h GLN 381 CO -0.01 0.14 0.47 0.09 -0.67 0.00 0.00 178.83 178.85 3i3b n ASN 382 N -4.05 3.60 -3.11 1.46 3.02 -0.70 -4.94 115.26 110.54 3i3b n ASN 382 Ca -0.02 -3.60 -0.23 0.00 -0.03 0.00 0.00 54.58 50.70 3i3b n ASN 382 Cb 0.22 -0.79 0.04 0.00 -0.61 0.00 0.00 39.78 38.65 3i3b n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3i3b n ASN 383 N -1.04 -6.09 -4.90 6.41 3.02 -0.77 -3.88 115.26 107.99 3i3b n ASN 383 Ca 0.53 -0.33 -0.33 0.00 -0.03 0.00 0.00 54.58 54.42 3i3b n ASN 383 Cb 1.52 -4.91 -0.05 0.00 -0.61 0.00 0.00 39.78 35.73 3i3b n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3i3b s PHE 384 N -3.19 3.54 0.00 3.10 0.40 -0.41 -4.83 117.98 116.58 3i3b s PHE 384 Ca 0.35 0.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.12 3i3b s PHE 384 Cb -0.15 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.48 3i3b s PHE 384 CO 0.43 0.58 0.52 0.27 0.70 0.00 0.00 175.22 177.71 3i3b n ASN 385 N 0.65 0.67 -3.68 1.36 0.23 -0.09 -4.18 115.26 110.23 3i3b n ASN 385 Ca -0.08 -1.26 -0.13 0.00 -0.53 0.00 0.00 54.58 52.59 3i3b n ASN 385 Cb 0.52 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.15 3i3b n ASN 385 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i3b s ALA 386 N -0.26 -0.99 -0.01 -2.53 0.00 -1.20 -0.57 121.76 116.22 3i3b s ALA 386 Ca 0.00 0.32 -0.03 0.00 0.00 0.00 0.00 51.96 52.25 3i3b s ALA 386 Cb 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.42 3i3b s ALA 386 CO 0.00 -0.43 0.06 0.54 0.00 0.00 0.00 175.76 175.93 3i3b s VAL 387 N -2.32 0.05 -0.16 0.00 0.11 -0.46 -2.01 120.40 115.61 3i3b s VAL 387 Ca -0.06 -0.45 -0.02 0.00 -2.93 0.00 0.00 61.98 58.52 3i3b s VAL 387 Cb -0.01 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 3i3b s VAL 387 CO -0.01 -0.24 -0.08 -0.60 -3.33 0.00 0.00 175.10 170.84 3i3b s ARG 388 N -0.77 3.48 -1.07 1.54 3.52 -0.75 -2.07 118.95 122.83 3i3b s ARG 388 Ca -0.08 -0.61 -0.17 0.00 -0.13 0.00 0.00 55.73 54.73 3i3b s ARG 388 Cb -0.05 -2.83 -0.08 0.00 -1.56 0.00 0.00 34.95 30.43 3i3b s ARG 388 CO 0.00 0.11 2.11 0.00 -0.81 0.00 0.00 175.30 176.71 3i3b s SER 390 N 4.05 6.40 -0.41 0.00 1.04 -1.24 -0.23 113.70 123.30 3i3b s SER 390 Ca 0.53 1.23 0.09 0.00 0.48 0.00 0.00 55.95 58.28 3i3b s SER 390 Cb 0.14 -2.54 0.28 0.00 0.10 0.00 0.00 66.02 64.01 3i3b s SER 390 CO 0.02 -1.31 0.62 1.41 0.98 0.00 0.00 173.24 174.96 3i3b n HIS 391 N 8.52 0.31 -3.63 5.02 -0.00 -1.26 -4.21 115.22 119.97 3i3b n HIS 391 Ca 0.17 -3.71 0.00 0.00 -0.00 0.00 0.00 57.72 54.19 3i3b n HIS 391 Cb 0.47 -0.39 -0.01 0.00 -0.00 0.00 0.00 29.99 30.05 3i3b n HIS 391 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 3i3b s TYR 392 N -1.77 -0.06 0.15 4.41 -0.85 0.68 -4.21 117.35 115.69 3i3b s TYR 392 Ca 0.38 -0.06 -0.31 0.00 -0.52 0.00 0.00 57.07 56.56 3i3b s TYR 392 Cb 0.23 0.56 -0.08 0.00 0.38 0.00 0.00 41.96 43.04 3i3b s TYR 392 CO -0.09 -0.35 1.35 -2.14 -1.52 0.00 0.00 175.55 172.80 3i3b s PRO 393 N -2.55 4.35 0.85 -3.49 0.02 -1.01 -4.42 135.00 128.76 3i3b s PRO 393 Ca 0.13 2.05 -0.12 0.00 0.02 0.00 0.00 61.00 63.09 3i3b s PRO 393 Cb 0.04 -3.23 0.14 0.00 0.02 0.00 0.00 34.50 31.46 3i3b s PRO 393 CO -0.03 -0.35 1.20 -0.80 -0.33 0.00 0.00 177.00 176.68 3i3b s ASN 394 N 0.78 3.91 0.29 2.53 -0.87 -1.26 -4.77 114.94 115.56 3i3b s ASN 394 Ca 0.61 0.38 -0.30 0.00 -1.57 0.00 0.00 52.86 51.98 3i3b s ASN 394 Cb -0.36 -0.69 -0.12 0.00 -0.02 0.00 0.00 41.25 40.06 3i3b s ASN 394 CO 0.34 -2.23 1.46 1.57 -2.57 0.00 0.00 177.10 175.67 3i3b n HIS 395 N -3.41 2.52 -0.28 2.20 -0.00 -1.26 -4.87 115.22 110.11 3i3b n HIS 395 Ca 0.12 0.39 0.24 0.00 -0.00 0.00 0.00 57.72 58.47 3i3b n HIS 395 Cb 0.60 -2.51 0.56 0.00 -0.00 0.00 0.00 29.99 28.65 3i3b n HIS 395 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3i3b h PRO 396 N 3.99 0.30 0.00 1.57 0.13 -1.96 -1.74 132.00 134.28 3i3b h PRO 396 Ca -0.46 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 3i3b h PRO 396 Cb 1.26 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3i3b h PRO 396 CO 0.73 0.20 -0.14 1.25 -0.23 0.00 0.00 178.00 179.81 3i3b h LEU 397 N 0.31 0.00 -0.51 1.56 5.85 -2.01 -3.08 115.31 117.43 3i3b h LEU 397 Ca 0.53 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.29 3i3b h LEU 397 Cb 1.51 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.50 3i3b h LEU 397 CO -0.19 0.14 0.27 -0.25 -0.34 0.00 0.00 178.44 178.07 3i3b h TRP 398 N 0.00 0.50 -0.66 1.25 2.91 -1.67 -1.89 115.95 116.39 3i3b h TRP 398 Ca -0.00 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.97 3i3b h TRP 398 Cb 0.31 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.78 3i3b h TRP 398 CO 0.00 0.25 0.15 1.88 -1.03 0.00 0.00 178.44 179.70 3i3b h TYR 399 N 0.53 1.10 -0.50 2.65 0.05 -1.71 -0.42 116.97 118.68 3i3b h TYR 399 Ca 0.22 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 3i3b h TYR 399 Cb 0.11 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.51 3i3b h TYR 399 CO -0.09 0.90 0.26 1.15 -1.05 0.00 0.00 178.16 179.33 3i3b h THR 400 N 1.00 1.18 -0.50 -2.88 2.02 -1.56 0.24 112.91 112.40 3i3b h THR 400 Ca 0.21 -0.49 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 3i3b h THR 400 Cb 0.36 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3i3b h THR 400 CO 0.00 0.20 -0.10 -0.07 0.37 0.00 0.00 175.52 175.92 3i3b h LEU 401 N 0.66 0.92 -0.73 2.58 3.38 -1.05 -1.33 115.31 119.73 3i3b h LEU 401 Ca 0.17 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 3i3b h LEU 401 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3i3b h LEU 401 CO -0.03 1.03 -0.25 0.00 0.09 0.00 0.00 178.44 179.29 3i3b h ASP 403 N 0.60 0.64 0.16 0.00 3.32 -0.21 0.87 116.42 121.80 3i3b h ASP 403 Ca 0.08 -0.18 -0.31 0.00 0.02 0.00 0.00 57.03 56.64 3i3b h ASP 403 Cb 0.74 -0.17 0.03 0.00 0.22 0.00 0.00 39.33 40.16 3i3b h ASP 403 CO 0.06 0.64 -1.29 0.03 -1.72 0.00 0.00 179.24 176.96 3i3b h ARG 404 N 0.59 0.61 0.00 3.56 3.08 -1.05 -3.33 114.38 117.83 3i3b h ARG 404 Ca 0.15 -0.85 -0.19 0.00 0.07 0.00 0.00 59.98 59.17 3i3b h ARG 404 Cb 0.22 0.29 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3i3b h ARG 404 CO -0.01 1.39 -1.03 1.88 -1.07 0.00 0.00 179.97 181.13 3i3b h TYR 405 N 0.25 0.00 -1.32 3.04 0.05 -0.65 -3.45 116.97 114.89 3i3b h TYR 405 Ca -0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.58 3i3b h TYR 405 Cb 1.97 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.71 3i3b h TYR 405 CO 0.12 0.79 0.00 0.41 -1.05 0.00 0.00 178.16 178.42 3i3b n GLY 406 N 1.35 -1.13 3.09 3.88 0.00 0.26 -4.80 105.19 107.85 3i3b n GLY 406 Ca -0.04 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 3i3b n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3b s LEU 407 N -0.08 0.50 0.32 0.99 1.43 -0.98 -4.66 118.68 116.20 3i3b s LEU 407 Ca 0.00 0.55 -0.28 0.00 -1.03 0.00 0.00 54.13 53.37 3i3b s LEU 407 Cb 0.00 0.81 -0.09 0.00 0.03 0.00 0.00 46.19 46.93 3i3b s LEU 407 CO 0.00 -0.15 1.12 -0.31 0.23 0.00 0.00 176.35 177.23 3i3b s TYR 408 N 1.04 3.43 -0.04 0.29 2.02 0.27 -4.72 117.35 119.64 3i3b s TYR 408 Ca -0.07 1.65 0.03 0.00 -0.37 0.00 0.00 57.07 58.31 3i3b s TYR 408 Cb -0.08 -3.31 0.00 0.00 -0.40 0.00 0.00 41.96 38.17 3i3b s TYR 408 CO -0.07 -0.76 -0.14 0.08 -1.57 0.00 0.00 175.55 173.09 3i3b s VAL 409 N -1.26 1.20 -0.44 0.71 1.01 0.10 -1.36 120.40 120.36 3i3b s VAL 409 Ca 0.48 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 3i3b s VAL 409 Cb -0.31 -1.04 0.07 0.00 0.00 0.00 0.00 36.38 35.10 3i3b s VAL 409 CO 0.40 0.35 0.33 -0.69 0.00 0.00 0.00 175.10 175.49 3i3b s VAL 410 N 0.16 4.81 -0.13 2.92 1.01 -0.88 -1.42 120.40 126.86 3i3b s VAL 410 Ca -0.05 -1.15 -0.26 0.00 0.00 0.00 0.00 61.98 60.51 3i3b s VAL 410 Cb -0.11 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3i3b s VAL 410 CO 0.02 -0.51 0.87 -0.62 0.00 0.00 0.00 175.10 174.86 3i3b s ASP 411 N 2.29 7.06 -0.11 3.32 2.15 -0.56 -1.85 116.67 128.96 3i3b s ASP 411 Ca 0.03 1.29 0.03 0.00 0.43 0.00 0.00 52.55 54.34 3i3b s ASP 411 Cb -0.23 -2.48 -0.00 0.00 -0.30 0.00 0.00 42.92 39.90 3i3b s ASP 411 CO 0.05 -0.38 -0.21 -0.70 -0.17 0.00 0.00 175.17 173.76 3i3b s GLU 412 N 1.93 3.13 0.41 4.34 2.12 -1.26 -0.07 118.70 129.31 3i3b s GLU 412 Ca 0.41 -0.83 -0.27 0.00 0.36 0.00 0.00 54.97 54.65 3i3b s GLU 412 Cb -0.17 -2.40 -0.10 0.00 0.26 0.00 0.00 34.13 31.72 3i3b s GLU 412 CO 0.15 0.17 1.46 0.00 -0.54 0.00 0.00 175.26 176.50 3i3b n ALA 413 N 3.57 2.20 -1.91 6.30 0.00 -0.02 -2.39 120.51 128.25 3i3b n ALA 413 Ca -0.19 0.29 -0.41 0.00 0.00 0.00 0.00 53.44 53.14 3i3b n ALA 413 Cb 0.53 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 3i3b n ALA 413 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i3b n ASN 414 N 0.13 3.83 -3.55 0.00 5.15 -1.26 -4.06 115.26 115.51 3i3b n ASN 414 Ca 0.03 -2.82 -0.22 0.00 -0.60 0.00 0.00 54.58 50.98 3i3b n ASN 414 Cb 0.40 -1.59 -0.15 0.00 -0.53 0.00 0.00 39.78 37.91 3i3b n ASN 414 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i3b s ILE 415 N 4.83 -0.22 -0.12 -1.44 1.01 -1.24 -4.75 121.20 119.27 3i3b s ILE 415 Ca 0.54 -0.12 -0.05 0.00 0.00 0.00 0.00 60.65 61.01 3i3b s ILE 415 Cb 0.09 -0.62 0.06 0.00 0.01 0.00 0.00 42.46 42.00 3i3b s ILE 415 CO 0.03 -0.23 0.25 -0.70 0.00 0.00 0.00 174.94 174.28 3i3b s GLU 416 N 2.24 0.16 -0.33 2.79 2.12 0.22 -1.22 118.70 124.68 3i3b s GLU 416 Ca 0.05 0.66 0.11 0.00 0.36 0.00 0.00 54.97 56.14 3i3b s GLU 416 Cb -0.16 -0.08 0.46 0.00 0.26 0.00 0.00 34.13 34.61 3i3b s GLU 416 CO -0.11 -0.24 1.12 0.25 -0.54 0.00 0.00 175.26 175.75 3i3b n THR 417 N 4.95 2.08 -0.28 -1.70 -2.24 -1.11 -0.74 114.28 115.24 3i3b n THR 417 Ca -0.13 -4.06 0.06 0.00 -2.27 0.00 0.00 64.05 57.65 3i3b n THR 417 Cb 0.51 -0.53 0.20 0.00 -2.10 0.00 0.00 70.33 68.41 3i3b n THR 417 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3i3b h HIS 418 N 2.47 0.72 0.00 4.78 6.17 -1.57 -2.23 115.15 125.49 3i3b h HIS 418 Ca 0.20 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.32 3i3b h HIS 418 Cb 1.27 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 31.00 3i3b h HIS 418 CO 0.74 0.19 0.00 0.41 0.71 0.00 0.00 177.93 179.98 3i3b n GLY 419 N -1.32 -0.78 3.80 5.26 0.00 -1.18 -4.77 105.19 106.19 3i3b n GLY 419 Ca 0.15 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3i3b n GLY 419 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i3b s MET 420 N -2.75 2.74 -0.19 1.61 -1.94 -0.84 -4.83 119.30 113.10 3i3b s MET 420 Ca 0.09 1.09 -0.04 0.00 -1.71 0.00 0.00 55.69 55.12 3i3b s MET 420 Cb 0.08 -1.96 0.06 0.00 2.01 0.00 0.00 34.83 35.02 3i3b s MET 420 CO 0.20 -1.26 0.06 0.08 -0.01 0.00 0.00 175.02 174.10 3i3b s VAL 421 N -2.88 0.24 1.01 -6.03 1.01 -1.26 -3.12 120.40 109.38 3i3b s VAL 421 Ca 0.60 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 3i3b s VAL 421 Cb -0.16 -0.84 0.20 0.00 0.00 0.00 0.00 36.38 35.58 3i3b s VAL 421 CO 0.52 -0.26 1.13 -2.16 0.00 0.00 0.00 175.10 174.32 3i3b s PRO 422 N 1.99 0.29 0.63 2.72 0.04 -1.26 -4.85 135.00 134.56 3i3b s PRO 422 Ca 0.01 0.25 0.35 0.00 0.04 0.00 0.00 61.00 61.64 3i3b s PRO 422 Cb -0.17 -1.74 1.95 0.00 0.04 0.00 0.00 34.50 34.58 3i3b s PRO 422 CO -0.09 -2.77 2.18 1.98 0.04 0.00 0.00 177.00 178.34 3i3b h MET 423 N -1.91 0.00 -0.69 4.56 4.05 -1.84 -2.04 114.93 117.06 3i3b h MET 423 Ca -0.51 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 3i3b h MET 423 Cb 1.32 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 3i3b h MET 423 CO 0.53 0.00 0.00 0.27 0.23 0.00 0.00 176.91 177.94 3i3b n ASN 424 N -3.38 4.54 -0.33 1.39 6.94 -1.25 -3.73 115.26 119.44 3i3b n ASN 424 Ca -0.01 -2.30 0.11 0.00 -0.02 0.00 0.00 54.58 52.36 3i3b n ASN 424 Cb 0.22 -0.55 0.32 0.00 -2.36 0.00 0.00 39.78 37.41 3i3b n ASN 424 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 3i3b h ARG 425 N 4.20 0.78 0.11 -3.83 2.43 -1.68 -1.24 114.38 115.15 3i3b h ARG 425 Ca 0.00 -0.05 -0.28 0.00 -0.81 0.00 0.00 59.98 58.85 3i3b h ARG 425 Cb 1.31 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3i3b h ARG 425 CO 0.16 0.51 -1.42 -0.07 -1.51 0.00 0.00 179.97 177.64 3i3b h LEU 426 N 0.80 0.38 -2.12 3.80 3.38 -1.85 -3.34 115.31 116.35 3i3b h LEU 426 Ca 0.51 -0.85 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3i3b h LEU 426 Cb 0.74 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3i3b h LEU 426 CO -0.28 1.62 -0.02 0.71 0.09 0.00 0.00 178.44 180.56 3i3b h THR 427 N -0.30 0.10 -0.14 0.22 1.35 -1.77 -1.48 112.91 110.89 3i3b h THR 427 Ca -0.30 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3i3b h THR 427 Cb 1.76 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 3i3b h THR 427 CO 0.06 0.02 0.00 -0.67 -0.25 0.00 0.00 175.52 174.68 3i3b n ASP 428 N -3.18 2.81 -4.55 5.36 2.03 -0.49 -2.30 116.55 116.23 3i3b n ASP 428 Ca -0.01 -1.91 -0.41 0.00 0.52 0.00 0.00 54.79 52.99 3i3b n ASP 428 Cb 0.21 -0.08 -0.09 0.00 -0.72 0.00 0.00 41.12 40.43 3i3b n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3i3b s ASP 429 N -1.82 6.18 0.65 1.67 -1.08 -0.56 -4.63 116.67 117.09 3i3b s ASP 429 Ca 0.33 -0.21 0.34 0.00 -0.52 0.00 0.00 52.55 52.48 3i3b s ASP 429 Cb 0.21 -2.20 1.83 0.00 -1.46 0.00 0.00 42.92 41.30 3i3b s ASP 429 CO 0.31 -0.33 2.05 1.55 0.52 0.00 0.00 175.17 179.27 3i3b h PRO 430 N 8.45 0.00 0.00 4.34 0.13 -1.88 -0.70 132.00 142.34 3i3b h PRO 430 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3i3b h PRO 430 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3i3b h PRO 430 CO 0.69 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.00 3i3b n ARG 431 N -3.08 0.21 0.00 0.86 1.74 -1.26 -2.06 116.66 113.07 3i3b n ARG 431 Ca -0.01 0.37 0.09 0.00 -0.77 0.00 0.00 57.85 57.52 3i3b n ARG 431 Cb 0.31 -1.85 0.01 0.00 -1.02 0.00 0.00 32.46 29.91 3i3b n ARG 431 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3i3b n TRP 432 N -2.24 0.00 -0.18 -1.55 7.02 -0.27 -4.51 117.44 115.71 3i3b n TRP 432 Ca 0.03 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.49 3i3b n TRP 432 Cb 0.28 0.00 0.08 0.00 -2.42 0.00 0.00 31.31 29.25 3i3b n TRP 432 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3i3b h LEU 433 N 2.18 0.20 -0.09 -0.99 5.85 -1.41 -0.93 115.31 120.12 3i3b h LEU 433 Ca 0.00 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3i3b h LEU 433 Cb 0.62 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3i3b h LEU 433 CO 0.00 0.13 -0.06 -0.65 -0.34 0.00 0.00 178.44 177.53 3i3b h PRO 434 N 0.38 -0.06 -0.50 5.25 0.11 -1.79 0.31 132.00 135.70 3i3b h PRO 434 Ca 0.27 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.39 3i3b h PRO 434 Cb 0.31 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 3i3b h PRO 434 CO -0.27 -0.04 0.32 0.00 -0.21 0.00 0.00 178.00 177.80 3i3b h ALA 435 N 1.02 0.64 -0.45 -0.75 0.00 -1.67 -2.86 119.26 115.19 3i3b h ALA 435 Ca 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3i3b h ALA 435 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3i3b h ALA 435 CO -0.12 0.06 0.09 0.52 0.00 0.00 0.00 179.25 179.80 3i3b h MET 436 N 0.66 0.73 -0.72 0.00 2.86 -0.83 -3.16 114.93 114.47 3i3b h MET 436 Ca 0.19 -0.19 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3i3b h MET 436 Cb -0.05 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 3i3b h MET 436 CO -0.05 0.74 0.47 0.66 1.06 0.00 0.00 176.91 179.79 3i3b h SER 437 N 0.60 0.72 0.20 1.22 4.64 -0.18 -1.89 113.55 118.86 3i3b h SER 437 Ca 0.14 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.36 3i3b h SER 437 Cb 0.35 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3i3b h SER 437 CO 0.01 0.49 -0.37 -0.33 -0.87 0.00 0.00 176.83 175.76 3i3b h GLU 438 N 0.84 0.24 0.00 4.77 5.08 -1.48 0.36 114.58 124.38 3i3b h GLU 438 Ca 0.29 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3i3b h GLU 438 Cb 0.12 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3i3b h GLU 438 CO -0.09 0.58 -0.18 0.00 -1.00 0.00 0.00 179.01 178.32 3i3b h ARG 439 N 0.21 0.00 0.00 2.33 3.08 -1.36 -2.21 114.38 116.43 3i3b h ARG 439 Ca 0.02 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.86 3i3b h ARG 439 Cb 0.75 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 3i3b h ARG 439 CO 0.06 0.18 -1.38 0.28 -1.07 0.00 0.00 179.97 178.04 3i3b n VAL 440 N -3.38 1.51 -0.16 2.04 0.31 -0.96 -4.04 118.33 113.64 3i3b n VAL 440 Ca -0.00 -0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.20 3i3b n VAL 440 Cb 0.39 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 3i3b n VAL 440 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3i3b h THR 441 N -1.00 1.20 0.00 2.52 1.35 -0.39 -2.31 112.91 114.28 3i3b h THR 441 Ca -0.33 -0.58 -0.05 0.00 -0.55 0.00 0.00 66.41 64.90 3i3b h THR 441 Cb 1.18 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 3i3b h THR 441 CO -0.20 0.22 -0.23 0.03 -0.25 0.00 0.00 175.52 175.09 3i3b h ARG 442 N 0.59 0.00 0.05 4.72 3.08 -1.59 0.68 114.38 121.91 3i3b h ARG 442 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3i3b h ARG 442 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3i3b h ARG 442 CO -0.02 0.23 -0.02 1.98 -1.07 0.00 0.00 179.97 181.07 3i3b h MET 443 N 0.00 -0.06 -0.49 0.04 4.05 -1.62 -2.12 114.93 114.72 3i3b h MET 443 Ca -0.00 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 3i3b h MET 443 Cb 0.52 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.30 3i3b h MET 443 CO 0.03 0.37 0.31 0.28 0.23 0.00 0.00 176.91 178.13 3i3b h VAL 444 N -0.52 1.09 0.00 -5.77 2.07 -1.07 -0.21 116.25 111.84 3i3b h VAL 444 Ca -0.01 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3i3b h VAL 444 Cb 0.47 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3i3b h VAL 444 CO 0.01 0.11 -0.06 1.56 0.02 0.00 0.00 177.57 179.21 3i3b h GLN 445 N 0.63 0.00 0.09 1.57 4.20 -0.88 -2.06 115.11 118.66 3i3b h GLN 445 Ca 0.19 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.66 3i3b h GLN 445 Cb -0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3i3b h GLN 445 CO -0.06 0.06 -1.25 -0.09 -0.67 0.00 0.00 178.83 176.81 3i3b h ARG 446 N 0.00 0.18 -0.40 1.46 2.43 -0.51 -3.01 114.38 114.54 3i3b h ARG 446 Ca -0.00 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3i3b h ARG 446 Cb 0.15 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3i3b h ARG 446 CO 0.01 1.15 0.00 -0.25 -1.51 0.00 0.00 179.97 179.37 3i3b n ASP 447 N -4.06 3.17 0.31 -3.80 8.00 -0.21 -4.24 116.55 115.71 3i3b n ASP 447 Ca -0.25 -1.92 0.19 0.00 0.71 0.00 0.00 54.79 53.52 3i3b n ASP 447 Cb 0.83 -0.26 1.03 0.00 -0.02 0.00 0.00 41.12 42.70 3i3b n ASP 447 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3i3b h ARG 448 N 3.22 0.00 -0.00 -1.24 0.11 -1.59 -2.61 114.38 112.27 3i3b h ARG 448 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3i3b h ARG 448 Cb 0.82 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.90 3i3b h ARG 448 CO 0.00 0.02 -0.29 0.09 0.10 0.00 0.00 179.97 179.88 3i3b n ASN 449 N -3.35 0.67 -4.66 0.08 3.02 -1.26 -4.86 115.26 104.90 3i3b n ASN 449 Ca -0.02 -0.51 -0.43 0.00 -0.03 0.00 0.00 54.58 53.58 3i3b n ASN 449 Cb 0.12 0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.36 3i3b n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3i3b s HIS 450 N -2.70 3.02 0.34 3.10 3.76 -0.99 -4.81 115.29 117.01 3i3b s HIS 450 Ca 0.20 1.16 0.21 0.00 -0.15 0.00 0.00 55.06 56.48 3i3b s HIS 450 Cb 0.19 -3.43 1.05 0.00 1.11 0.00 0.00 32.58 31.51 3i3b s HIS 450 CO 0.57 -1.30 1.93 -1.00 -0.85 0.00 0.00 174.74 174.09 3i3b h PRO 451 N 7.94 0.00 -0.51 8.40 0.13 -1.88 -3.01 132.00 143.07 3i3b h PRO 451 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3i3b h PRO 451 Cb 1.09 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 3i3b h PRO 451 CO 0.97 0.24 0.33 0.66 -0.23 0.00 0.00 178.00 179.97 3i3b h SER 452 N 0.00 0.59 -2.89 1.44 4.64 -1.87 -3.40 113.55 112.07 3i3b h SER 452 Ca -0.00 -0.02 -0.56 0.00 -0.47 0.00 0.00 61.79 60.74 3i3b h SER 452 Cb 0.54 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 3i3b h SER 452 CO 0.03 0.43 0.99 -0.69 -0.87 0.00 0.00 176.83 176.73 3i3b s VAL 453 N -5.59 4.02 -0.11 0.95 1.01 -1.14 0.03 120.40 119.57 3i3b s VAL 453 Ca -0.09 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.12 3i3b s VAL 453 Cb 0.17 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3i3b s VAL 453 CO 0.75 -0.24 0.12 2.30 0.00 0.00 0.00 175.10 178.02 3i3b n ILE 454 N 5.81 0.00 -3.78 2.22 -5.35 -0.51 -4.89 119.36 112.86 3i3b n ILE 454 Ca 0.16 -0.33 -0.13 0.00 -0.27 0.00 0.00 62.75 62.17 3i3b n ILE 454 Cb 0.45 0.84 -0.14 0.00 -1.74 0.00 0.00 39.64 39.05 3i3b n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3i3b s ILE 455 N -1.55 -0.03 -0.01 7.28 1.01 -1.19 -3.76 121.20 122.95 3i3b s ILE 455 Ca 0.01 0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 3i3b s ILE 455 Cb 0.02 -0.19 -0.05 0.00 0.01 0.00 0.00 42.46 42.25 3i3b s ILE 455 CO 0.13 0.05 0.33 0.26 0.00 0.00 0.00 174.94 175.71 3i3b s TRP 456 N 0.79 3.65 -0.07 3.97 0.52 -0.65 -1.50 118.94 125.65 3i3b s TRP 456 Ca -0.06 0.79 0.04 0.00 0.02 0.00 0.00 56.10 56.90 3i3b s TRP 456 Cb -0.08 -2.15 -0.00 0.00 -1.15 0.00 0.00 33.47 30.09 3i3b s TRP 456 CO -0.04 0.64 -0.22 0.45 0.02 0.00 0.00 176.95 177.80 3i3b s SER 457 N -1.29 2.77 0.00 2.95 0.15 0.90 -0.65 113.70 118.53 3i3b s SER 457 Ca 0.24 -0.48 0.23 0.00 0.70 0.00 0.00 55.95 56.65 3i3b s SER 457 Cb -0.15 -1.05 1.30 0.00 -1.71 0.00 0.00 66.02 64.42 3i3b s SER 457 CO 0.13 0.17 1.77 0.18 1.20 0.00 0.00 173.24 176.69 3i3b n LEU 458 N 3.34 0.00 0.00 3.45 4.77 -0.98 -0.84 117.00 126.74 3i3b n LEU 458 Ca -0.19 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3i3b n LEU 458 Cb 0.53 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3i3b n LEU 458 CO 0.26 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3i3b n GLY 459 N 0.57 0.70 3.18 -0.72 0.00 -1.26 -4.56 105.19 103.10 3i3b n GLY 459 Ca 0.15 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 3i3b n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3b s ASN 460 N -4.00 -0.24 -0.65 1.61 2.47 -0.35 -4.74 114.94 109.03 3i3b s ASN 460 Ca 0.00 0.38 -0.11 0.00 0.42 0.00 0.00 52.86 53.55 3i3b s ASN 460 Cb 0.00 0.48 0.01 0.00 -1.45 0.00 0.00 41.25 40.30 3i3b s ASN 460 CO 0.00 -0.21 0.41 -0.62 -3.72 0.00 0.00 177.10 172.96 3i3b n GLU 461 N 2.37 -0.77 -0.82 0.43 1.02 -1.26 -3.97 120.64 117.64 3i3b n GLU 461 Ca -0.16 0.19 0.05 0.00 -0.02 0.00 0.00 57.16 57.22 3i3b n GLU 461 Cb 0.57 -1.35 0.08 0.00 -0.02 0.00 0.00 31.44 30.73 3i3b n GLU 461 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i3b n SER 462 N -1.32 1.15 0.00 1.62 7.64 -1.26 -1.69 113.62 119.77 3i3b n SER 462 Ca -0.15 -2.64 0.00 0.00 1.01 0.00 0.00 58.87 57.09 3i3b n SER 462 Cb 0.41 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 3i3b n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i3b n GLY 463 N -0.32 0.94 2.74 0.23 0.00 -1.24 -3.90 105.19 103.63 3i3b n GLY 463 Ca 0.09 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 3i3b n GLY 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i3b s HIS 464 N 0.00 0.77 0.27 1.61 2.46 -1.26 -3.21 115.29 115.92 3i3b s HIS 464 Ca 0.00 -0.44 0.06 0.00 0.47 0.00 0.00 55.06 55.15 3i3b s HIS 464 Cb 0.00 -0.88 -0.06 0.00 -0.13 0.00 0.00 32.58 31.51 3i3b s HIS 464 CO 0.00 -0.45 -0.05 0.20 -2.47 0.00 0.00 174.74 171.96 3i3b s GLY 465 N 1.94 1.75 0.54 1.59 0.00 -1.26 -4.84 107.32 107.04 3i3b s GLY 465 Ca 0.02 -1.86 0.26 0.00 0.00 0.00 0.00 44.72 43.14 3i3b s GLY 465 CO -0.07 -1.80 2.00 0.00 0.00 0.00 0.00 173.10 173.23 3i3b h ALA 466 N 2.33 2.42 -0.58 3.20 0.00 -1.82 0.12 119.26 124.93 3i3b h ALA 466 Ca -0.39 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3i3b h ALA 466 Cb 1.23 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3i3b h ALA 466 CO 0.66 -0.62 0.22 -0.91 0.00 0.00 0.00 179.25 178.61 3i3b h ASN 467 N 0.00 0.78 -0.60 0.00 2.35 -1.77 -1.18 115.58 115.15 3i3b h ASN 467 Ca 0.23 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3i3b h ASN 467 Cb 0.97 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 3i3b h ASN 467 CO -0.00 0.71 0.33 0.45 -1.65 0.00 0.00 177.43 177.26 3i3b h HIS 468 N 0.84 0.83 -0.65 1.19 3.86 -0.94 -1.04 115.15 119.23 3i3b h HIS 468 Ca 0.20 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.32 3i3b h HIS 468 Cb 0.18 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 3i3b h HIS 468 CO 0.01 0.60 0.14 -0.44 0.86 0.00 0.00 177.93 179.10 3i3b h ASP 469 N 0.82 1.01 -0.22 2.45 3.32 -1.31 0.10 116.42 122.59 3i3b h ASP 469 Ca 0.21 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3i3b h ASP 469 Cb 0.05 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3i3b h ASP 469 CO -0.03 1.00 0.08 0.00 -1.72 0.00 0.00 179.24 178.56 3i3b h ALA 470 N 1.05 0.29 -0.04 3.45 0.00 -0.94 -1.90 119.26 121.16 3i3b h ALA 470 Ca 0.20 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3i3b h ALA 470 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3i3b h ALA 470 CO 0.01 -0.10 -0.46 -0.07 0.00 0.00 0.00 179.25 178.62 3i3b h LEU 471 N 0.19 0.10 -0.46 0.00 3.38 -1.06 -0.90 115.31 116.57 3i3b h LEU 471 Ca 0.07 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3i3b h LEU 471 Cb 0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3i3b h LEU 471 CO -0.00 0.55 0.21 0.22 0.09 0.00 0.00 178.44 179.51 3i3b h TYR 472 N 0.08 0.66 -0.25 1.13 3.20 -0.58 -2.05 116.97 119.16 3i3b h TYR 472 Ca 0.00 -0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 3i3b h TYR 472 Cb 0.84 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 3i3b h TYR 472 CO 0.01 0.54 -0.33 -0.09 -1.64 0.00 0.00 178.16 176.64 3i3b h ARG 473 N 0.59 0.53 -0.60 1.82 9.65 -1.01 -2.24 114.38 123.12 3i3b h ARG 473 Ca 0.16 -0.24 0.02 0.00 -1.10 0.00 0.00 59.98 58.82 3i3b h ARG 473 Cb 0.13 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 3i3b h ARG 473 CO -0.02 0.80 0.38 2.35 2.80 0.00 0.00 179.97 186.28 3i3b h TRP 474 N 0.45 0.71 0.10 2.20 7.01 -0.81 -1.76 115.95 123.86 3i3b h TRP 474 Ca 0.05 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 3i3b h TRP 474 Cb 0.80 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.62 3i3b h TRP 474 CO 0.03 0.43 -0.05 0.82 -2.79 0.00 0.00 178.44 176.88 3i3b h ILE 475 N 0.76 1.07 -0.96 2.65 2.04 -1.10 -0.94 117.51 121.03 3i3b h ILE 475 Ca 0.23 -0.67 0.24 0.00 1.00 0.00 0.00 64.86 65.67 3i3b h ILE 475 Cb -0.03 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 3i3b h ILE 475 CO -0.08 0.16 0.65 0.11 0.00 0.00 0.00 178.15 178.99 3i3b h LYS 476 N -0.45 0.28 0.00 2.37 1.79 -1.28 0.41 116.57 119.70 3i3b h LYS 476 Ca -0.01 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 3i3b h LYS 476 Cb 0.37 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 30.96 3i3b h LYS 476 CO 0.02 0.19 -0.36 1.03 -1.08 0.00 0.00 179.45 179.25 3i3b h SER 477 N 0.29 0.31 0.71 0.86 0.87 -1.08 -3.26 113.55 112.26 3i3b h SER 477 Ca 0.50 -0.79 -0.25 0.00 -1.23 0.00 0.00 61.79 60.03 3i3b h SER 477 Cb 1.45 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 3i3b h SER 477 CO -0.16 1.05 -1.12 0.58 -0.53 0.00 0.00 176.83 176.65 3i3b h VAL 478 N -0.41 1.55 -2.51 2.23 2.07 -0.18 -3.41 116.25 115.59 3i3b h VAL 478 Ca -0.05 -3.08 -0.58 0.00 0.82 0.00 0.00 66.70 63.81 3i3b h VAL 478 Cb 1.11 2.84 -0.39 0.00 -1.52 0.00 0.00 31.29 33.34 3i3b h VAL 478 CO 0.07 0.89 -0.89 -0.62 0.02 0.00 0.00 177.57 177.04 3i3b s ASP 479 N -7.00 2.44 0.00 0.57 2.15 0.14 -4.96 116.67 110.00 3i3b s ASP 479 Ca -0.03 -2.48 0.26 0.00 0.43 0.00 0.00 52.55 50.73 3i3b s ASP 479 Cb 0.08 -0.41 1.54 0.00 -0.30 0.00 0.00 42.92 43.84 3i3b s ASP 479 CO 0.86 -0.26 1.91 -0.81 -0.17 0.00 0.00 175.17 176.70 3i3b n PRO 480 N 3.64 0.78 0.17 4.34 -0.04 -1.23 -3.42 135.00 139.24 3i3b n PRO 480 Ca 0.18 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 3i3b n PRO 480 Cb 0.41 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.75 3i3b n PRO 480 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i3b h SER 481 N 0.00 0.00 -4.24 3.54 4.64 -1.90 -3.45 113.55 112.14 3i3b h SER 481 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3i3b h SER 481 Cb 0.02 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.82 3i3b h SER 481 CO 0.00 0.00 -0.83 -0.13 -0.87 0.00 0.00 176.83 175.00 3i3b s ARG 482 N -3.25 1.36 0.64 4.77 0.52 -1.22 -4.25 118.95 117.52 3i3b s ARG 482 Ca 0.07 -0.58 -0.15 0.00 -0.52 0.00 0.00 55.73 54.55 3i3b s ARG 482 Cb 0.09 -1.29 -0.01 0.00 0.52 0.00 0.00 34.95 34.25 3i3b s ARG 482 CO 0.58 0.34 1.10 -2.14 0.02 0.00 0.00 175.30 175.20 3i3b s PRO 483 N -0.33 2.93 -0.10 3.54 0.02 -1.25 -4.81 135.00 135.01 3i3b s PRO 483 Ca 0.05 1.35 0.03 0.00 0.02 0.00 0.00 61.00 62.45 3i3b s PRO 483 Cb -0.07 -1.97 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 3i3b s PRO 483 CO -0.00 -1.14 -0.20 0.08 -0.33 0.00 0.00 177.00 175.41 3i3b s VAL 484 N -2.36 2.48 0.26 3.83 1.01 -1.26 -1.64 120.40 122.72 3i3b s VAL 484 Ca 0.66 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.83 3i3b s VAL 484 Cb -0.19 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 3i3b s VAL 484 CO 0.40 0.55 -0.06 0.00 0.00 0.00 0.00 175.10 175.99 3i3b s GLN 485 N 0.23 1.47 -0.30 2.72 -2.07 0.17 -0.38 119.66 121.51 3i3b s GLN 485 Ca -0.13 -1.73 -0.16 0.00 -1.82 0.00 0.00 55.36 51.52 3i3b s GLN 485 Cb -0.16 -1.05 0.17 0.00 -1.09 0.00 0.00 33.01 30.87 3i3b s GLN 485 CO 0.07 0.04 1.06 -0.47 -1.32 0.00 0.00 175.29 174.66 3i3b s TYR 486 N -3.08 -0.48 -0.07 9.60 5.04 -1.26 -2.31 117.35 124.80 3i3b s TYR 486 Ca 0.28 0.89 0.13 0.00 -2.44 0.00 0.00 57.07 55.93 3i3b s TYR 486 Cb 0.03 0.29 -0.06 0.00 0.35 0.00 0.00 41.96 42.57 3i3b s TYR 486 CO 0.10 -0.24 1.25 1.49 -1.34 0.00 0.00 175.55 176.81 3i3b h GLU 487 N 6.49 0.00 -6.50 4.97 4.22 -1.85 -3.43 114.58 118.48 3i3b h GLU 487 Ca -0.22 0.00 -0.59 0.00 0.08 0.00 0.00 59.36 58.63 3i3b h GLU 487 Cb 1.15 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.55 3i3b h GLU 487 CO 0.15 0.60 -0.20 0.41 -2.18 0.00 0.00 179.01 177.79 3i3b n GLY 488 N 1.31 -1.04 2.24 1.92 0.00 -1.26 0.69 105.19 109.05 3i3b n GLY 488 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 3i3b n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3b n GLY 489 N 1.58 0.99 0.00 -0.02 0.00 -1.20 -3.94 105.19 102.60 3i3b n GLY 489 Ca 0.11 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3i3b n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3b n GLY 490 N -1.99 0.89 4.02 -0.02 0.00 -1.20 -4.74 105.19 102.15 3i3b n GLY 490 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3i3b n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3b n ALA 491 N 0.00 0.00 -2.39 4.61 0.00 0.22 -4.70 120.51 118.25 3i3b n ALA 491 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3i3b n ALA 491 Cb 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 19.45 19.14 3i3b n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i3b n ASP 492 N 0.00 1.31 -2.98 0.00 5.75 -1.26 -2.23 116.55 117.15 3i3b n ASP 492 Ca 0.00 -2.36 -0.14 0.00 -0.01 0.00 0.00 54.79 52.28 3i3b n ASP 492 Cb 0.00 -0.36 0.11 0.00 -1.03 0.00 0.00 41.12 39.84 3i3b n ASP 492 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3i3b n THR 493 N 0.06 0.00 1.59 2.12 -2.24 -1.26 -4.92 114.28 109.63 3i3b n THR 493 Ca 0.09 -0.32 0.14 0.00 -2.27 0.00 0.00 64.05 61.70 3i3b n THR 493 Cb 1.02 -1.34 0.78 0.00 -2.10 0.00 0.00 70.33 68.69 3i3b n THR 493 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i3b n THR 494 N -3.37 0.05 -0.78 4.28 -2.24 -1.26 -3.25 114.28 107.72 3i3b n THR 494 Ca 0.08 0.01 0.08 0.00 -2.27 0.00 0.00 64.05 61.95 3i3b n THR 494 Cb 0.28 -0.56 0.39 0.00 -2.10 0.00 0.00 70.33 68.34 3i3b n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3b n ALA 495 N -1.12 3.51 -3.51 6.98 0.00 -1.26 -4.93 120.51 120.19 3i3b n ALA 495 Ca 0.18 -1.78 -0.13 0.00 0.00 0.00 0.00 53.44 51.71 3i3b n ALA 495 Cb 0.15 -1.07 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 3i3b n ALA 495 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3i3b s THR 496 N -2.33 -0.03 -1.10 0.00 -1.32 -1.20 -4.15 115.64 105.51 3i3b s THR 496 Ca 0.53 0.11 0.27 0.00 -1.21 0.00 0.00 61.69 61.39 3i3b s THR 496 Cb 0.38 -0.31 0.15 0.00 -1.51 0.00 0.00 72.50 71.22 3i3b s THR 496 CO 0.20 0.04 1.66 0.47 -2.21 0.00 0.00 174.62 174.79 3i3b n ASP 497 N 3.80 0.33 -3.97 8.08 8.00 0.49 -4.80 116.55 128.47 3i3b n ASP 497 Ca -0.21 -0.03 -0.22 0.00 0.71 0.00 0.00 54.79 55.04 3i3b n ASP 497 Cb 0.55 -0.07 -0.16 0.00 -0.02 0.00 0.00 41.12 41.41 3i3b n ASP 497 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i3b s ILE 498 N -2.92 0.84 -0.29 0.53 1.01 -1.26 -4.52 121.20 114.58 3i3b s ILE 498 Ca 0.15 -0.32 -0.29 0.00 0.00 0.00 0.00 60.65 60.18 3i3b s ILE 498 Cb 0.18 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 3i3b s ILE 498 CO 0.60 0.28 1.63 -0.63 0.00 0.00 0.00 174.94 176.83 3i3b s ILE 499 N 0.63 3.67 -0.52 2.92 1.01 -0.49 -4.68 121.20 123.73 3i3b s ILE 499 Ca -0.11 0.72 0.07 0.00 0.00 0.00 0.00 60.65 61.33 3i3b s ILE 499 Cb -0.14 -3.79 0.33 0.00 0.01 0.00 0.00 42.46 38.88 3i3b s ILE 499 CO 0.02 -0.42 0.85 0.00 0.00 0.00 0.00 174.94 175.38 3i3b s PRO 501 N -2.97 0.71 -0.16 0.00 0.04 -1.26 -3.74 135.00 127.61 3i3b s PRO 501 Ca 0.45 0.96 0.01 0.00 0.04 0.00 0.00 61.00 62.47 3i3b s PRO 501 Cb 0.28 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 33.11 3i3b s PRO 501 CO -0.11 -2.66 -0.20 0.00 0.04 0.00 0.00 177.00 174.07 3i3b s MET 502 N -4.77 2.91 -1.40 4.56 0.23 -1.26 -1.49 119.30 118.09 3i3b s MET 502 Ca 0.65 -0.81 0.00 0.00 -1.03 0.00 0.00 55.69 54.51 3i3b s MET 502 Cb -0.20 -2.46 0.00 0.00 -1.53 0.00 0.00 34.83 30.63 3i3b s MET 502 CO 0.59 -0.14 0.00 0.66 -2.03 0.00 0.00 175.02 174.09 3i3b n TYR 503 N 4.44 -0.44 -2.47 3.16 4.01 0.12 -4.97 117.16 121.01 3i3b n TYR 503 Ca -0.20 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.15 3i3b n TYR 503 Cb 0.51 -2.94 -0.04 0.00 -0.31 0.00 0.00 39.34 36.55 3i3b n TYR 503 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i3b s ALA 504 N -2.67 3.25 0.67 -0.72 0.00 -1.26 -4.89 121.76 116.14 3i3b s ALA 504 Ca 0.00 0.84 -0.05 0.00 0.00 0.00 0.00 51.96 52.75 3i3b s ALA 504 Cb 0.00 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 19.86 3i3b s ALA 504 CO 0.00 -0.23 0.96 1.03 0.00 0.00 0.00 175.76 177.52 3i3b s ARG 505 N -1.95 2.30 -0.04 0.00 0.52 -1.26 -4.77 118.95 113.74 3i3b s ARG 505 Ca 0.51 -0.37 -0.25 0.00 -0.52 0.00 0.00 55.73 55.10 3i3b s ARG 505 Cb -0.28 -2.25 -0.19 0.00 0.52 0.00 0.00 34.95 32.75 3i3b s ARG 505 CO 0.36 -1.10 1.07 0.28 0.02 0.00 0.00 175.30 175.93 3i3b h VAL 506 N -0.43 1.21 0.00 3.52 2.07 -1.94 0.13 116.25 120.81 3i3b h VAL 506 Ca -0.44 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 65.76 3i3b h VAL 506 Cb 1.31 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 3i3b h VAL 506 CO 0.58 0.30 -1.33 0.47 0.02 0.00 0.00 177.57 177.61 3i3b n ASP 507 N -4.87 3.74 -4.70 0.57 8.00 -1.26 -3.66 116.55 114.38 3i3b n ASP 507 Ca -0.08 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.02 3i3b n ASP 507 Cb 0.28 0.76 -0.05 0.00 -0.02 0.00 0.00 41.12 42.09 3i3b n ASP 507 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3i3b s GLU 508 N -2.18 4.32 0.55 -1.24 2.12 -1.26 -4.72 118.70 116.29 3i3b s GLU 508 Ca -0.02 0.67 -0.10 0.00 0.36 0.00 0.00 54.97 55.88 3i3b s GLU 508 Cb 0.02 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 3i3b s GLU 508 CO 0.21 -0.03 0.93 -0.51 -0.54 0.00 0.00 175.26 175.32 3i3b s ASP 509 N 0.91 6.30 -0.41 -1.70 1.01 -1.26 -3.91 116.67 117.60 3i3b s ASP 509 Ca 0.31 1.26 0.05 0.00 0.71 0.00 0.00 52.55 54.89 3i3b s ASP 509 Cb -0.16 -2.39 0.20 0.00 1.01 0.00 0.00 42.92 41.57 3i3b s ASP 509 CO 0.13 -0.72 0.41 0.00 0.21 0.00 0.00 175.17 175.20 3i3b n GLN 510 N -2.39 0.45 -0.20 8.23 6.02 -0.17 -4.93 117.38 124.39 3i3b n GLN 510 Ca 0.04 -3.25 -0.04 0.00 -0.01 0.00 0.00 57.00 53.74 3i3b n GLN 510 Cb 0.54 -1.54 -0.02 0.00 1.02 0.00 0.00 30.24 30.25 3i3b n GLN 510 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3i3b n PRO 511 N 2.29 0.49 -1.82 -1.09 -0.04 -1.26 -1.13 135.00 132.43 3i3b n PRO 511 Ca 0.27 -0.48 -0.39 0.00 -0.04 0.00 0.00 63.50 62.86 3i3b n PRO 511 Cb 0.49 -1.86 0.03 0.00 -0.04 0.00 0.00 33.50 32.13 3i3b n PRO 511 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i3b s PHE 512 N 3.57 2.38 0.39 0.54 0.08 -1.26 -4.87 117.98 118.80 3i3b s PHE 512 Ca 0.12 1.36 -0.27 0.00 0.12 0.00 0.00 56.93 58.26 3i3b s PHE 512 Cb 0.04 -3.80 -0.09 0.00 -0.57 0.00 0.00 43.02 38.60 3i3b s PHE 512 CO -0.01 -2.81 1.32 -2.14 -0.10 0.00 0.00 175.22 171.48 3i3b s PRO 513 N -2.76 4.03 0.00 0.24 0.02 -1.26 -2.37 135.00 132.90 3i3b s PRO 513 Ca 0.68 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.89 3i3b s PRO 513 Cb -0.40 -2.82 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3i3b s PRO 513 CO 0.49 -0.45 0.00 0.00 -0.33 0.00 0.00 177.00 176.71 3i3b n ALA 514 N 0.25 0.00 -3.11 -1.55 0.00 -1.26 -4.50 120.51 110.35 3i3b n ALA 514 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.21 3i3b n ALA 514 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 3i3b n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i3b n VAL 515 N 0.00 2.52 -1.98 0.00 0.24 -1.24 -4.85 118.33 113.02 3i3b n VAL 515 Ca 0.00 -5.36 -0.35 0.00 -2.04 0.00 0.00 64.34 56.59 3i3b n VAL 515 Cb 0.00 -1.54 0.03 0.00 -1.47 0.00 0.00 33.84 30.86 3i3b n VAL 515 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3i3b s PRO 516 N -3.04 2.95 -0.57 7.34 0.04 -1.00 -4.58 135.00 136.15 3i3b s PRO 516 Ca 0.45 1.73 -0.03 0.00 0.04 0.00 0.00 61.00 63.20 3i3b s PRO 516 Cb 0.24 -1.94 0.15 0.00 0.04 0.00 0.00 34.50 32.99 3i3b s PRO 516 CO -0.10 -1.20 0.37 0.15 0.04 0.00 0.00 177.00 176.26 3i3b s LYS 517 N -3.46 2.40 0.70 4.56 1.02 -0.28 -4.88 119.74 119.80 3i3b s LYS 517 Ca 0.75 -2.36 -0.11 0.00 0.02 0.00 0.00 55.97 54.26 3i3b s LYS 517 Cb -0.28 -3.68 0.02 0.00 -0.52 0.00 0.00 37.83 33.37 3i3b s LYS 517 CO 0.34 -1.15 1.07 -1.58 -0.92 0.00 0.00 175.35 173.11 3i3b s TRP 518 N 0.22 2.93 0.34 3.18 0.52 -1.26 -1.00 118.94 123.87 3i3b s TRP 518 Ca 0.15 1.48 -0.29 0.00 0.02 0.00 0.00 56.10 57.46 3i3b s TRP 518 Cb -0.21 -2.96 -0.11 0.00 -1.15 0.00 0.00 33.47 29.05 3i3b s TRP 518 CO -0.03 -1.39 1.43 -1.54 0.02 0.00 0.00 176.95 175.43 3i3b s SER 519 N -3.50 6.51 0.39 2.95 1.04 -1.25 -4.33 113.70 115.50 3i3b s SER 519 Ca 0.60 2.89 0.14 0.00 0.48 0.00 0.00 55.95 60.06 3i3b s SER 519 Cb -0.15 -2.65 0.97 0.00 0.10 0.00 0.00 66.02 64.28 3i3b s SER 519 CO 0.52 -0.75 1.84 0.16 0.98 0.00 0.00 173.24 175.99 3i3b h ILE 520 N 3.09 0.71 -0.46 -1.02 3.07 -1.03 0.40 117.51 122.26 3i3b h ILE 520 Ca -0.49 -0.18 -0.04 0.00 1.55 0.00 0.00 64.86 65.69 3i3b h ILE 520 Cb 1.23 0.14 -0.02 0.00 -0.27 0.00 0.00 36.82 37.90 3i3b h ILE 520 CO 0.67 0.10 0.12 0.11 -1.05 0.00 0.00 178.15 178.10 3i3b h LYS 521 N 0.52 0.73 -0.36 0.16 1.57 -1.83 -3.03 116.57 114.34 3i3b h LYS 521 Ca 0.49 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.96 3i3b h LYS 521 Cb 1.05 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3i3b h LYS 521 CO -0.22 0.72 -0.33 -0.22 -0.57 0.00 0.00 179.45 178.82 3i3b h LYS 522 N 0.61 0.81 -0.24 3.15 3.64 -1.40 -3.28 116.57 119.86 3i3b h LYS 522 Ca 0.14 -0.39 0.05 0.00 -1.27 0.00 0.00 60.65 59.18 3i3b h LYS 522 Cb 0.31 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 3i3b h LYS 522 CO 0.00 1.02 -0.06 2.35 -2.27 0.00 0.00 179.45 180.49 3i3b h TRP 523 N 0.68 -0.14 -0.98 1.91 2.91 -0.88 -2.75 115.95 116.70 3i3b h TRP 523 Ca 0.07 0.02 0.26 0.00 1.13 0.00 0.00 58.89 60.37 3i3b h TRP 523 Cb 0.88 0.10 -0.13 0.00 -0.51 0.00 0.00 29.16 29.50 3i3b h TRP 523 CO 0.05 -0.11 0.53 -0.07 -1.03 0.00 0.00 178.44 177.82 3i3b h LEU 524 N -0.00 0.54 -2.97 0.65 3.38 -1.59 -2.28 115.31 113.03 3i3b h LEU 524 Ca 0.12 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3i3b h LEU 524 Cb 0.18 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3i3b h LEU 524 CO -0.25 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 176.75 3i3b n SER 525 N -4.98 4.47 -4.69 -0.43 3.41 -1.04 -4.53 113.62 105.84 3i3b n SER 525 Ca 0.27 -2.25 -0.41 0.00 -0.26 0.00 0.00 58.87 56.23 3i3b n SER 525 Cb 0.79 -0.55 0.02 0.00 -0.26 0.00 0.00 64.21 64.21 3i3b n SER 525 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i3b n LEU 526 N 1.41 3.94 -4.69 1.04 4.77 -0.86 -4.74 117.00 117.86 3i3b n LEU 526 Ca 0.26 1.07 -0.64 0.00 -0.03 0.00 0.00 56.01 56.66 3i3b n LEU 526 Cb 0.78 -1.48 -0.09 0.00 -2.33 0.00 0.00 43.42 40.30 3i3b n LEU 526 CO 0.21 -0.84 1.05 -2.65 -1.33 0.00 0.00 177.39 173.83 3i3b n PRO 527 N -0.10 0.19 0.00 3.23 -0.02 -1.26 -0.76 135.00 136.28 3i3b n PRO 527 Ca 0.08 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3i3b n PRO 527 Cb 0.40 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 3i3b n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i3b n GLY 528 N 3.48 2.92 3.74 -1.23 0.00 -1.26 -5.02 105.19 107.81 3i3b n GLY 528 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 3i3b n GLY 528 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i3b s GLU 529 N -0.20 4.55 0.00 1.61 2.56 0.06 -4.92 118.70 122.36 3i3b s GLU 529 Ca 0.00 1.80 0.00 0.00 0.00 0.00 0.00 54.97 56.77 3i3b s GLU 529 Cb 0.00 -3.25 0.00 0.00 2.00 0.00 0.00 34.13 32.88 3i3b s GLU 529 CO 0.00 0.00 0.04 0.25 -0.56 0.00 0.00 175.26 174.99 3i3b n THR 530 N 2.36 0.00 -1.63 -1.70 -2.24 -1.26 -4.76 114.28 105.05 3i3b n THR 530 Ca 0.03 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.41 3i3b n THR 530 Cb 0.45 1.36 0.05 0.00 -2.10 0.00 0.00 70.33 70.09 3i3b n THR 530 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i3b s ARG 531 N -0.10 3.00 0.60 -0.78 0.52 -1.26 -3.98 118.95 116.94 3i3b s ARG 531 Ca 0.00 0.89 -0.14 0.00 -0.52 0.00 0.00 55.73 55.96 3i3b s ARG 531 Cb 0.00 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 33.43 3i3b s ARG 531 CO 0.00 -1.04 1.03 -1.25 0.02 0.00 0.00 175.30 174.06 3i3b s PRO 532 N -5.08 3.51 -0.14 3.54 0.04 -1.18 -4.81 135.00 130.88 3i3b s PRO 532 Ca 0.58 0.96 0.02 0.00 0.04 0.00 0.00 61.00 62.59 3i3b s PRO 532 Cb -0.13 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.35 3i3b s PRO 532 CO 0.55 -0.64 -0.21 -1.17 0.04 0.00 0.00 177.00 175.57 3i3b s LEU 533 N -4.76 2.17 -0.13 -3.56 0.20 0.05 -1.39 118.68 111.26 3i3b s LEU 533 Ca 0.59 -0.58 -0.04 0.00 0.69 0.00 0.00 54.13 54.79 3i3b s LEU 533 Cb -0.12 -1.47 0.05 0.00 -0.43 0.00 0.00 46.19 44.22 3i3b s LEU 533 CO 0.43 0.08 0.07 -0.63 -0.29 0.00 0.00 176.35 176.01 3i3b s ILE 534 N 0.83 0.03 0.08 6.68 1.01 -0.49 -1.31 121.20 128.04 3i3b s ILE 534 Ca -0.06 -0.02 -0.31 0.00 0.00 0.00 0.00 60.65 60.26 3i3b s ILE 534 Cb -0.15 -0.51 -0.08 0.00 0.01 0.00 0.00 42.46 41.72 3i3b s ILE 534 CO -0.02 -0.09 1.59 -0.76 0.00 0.00 0.00 174.94 175.66 3i3b s LEU 535 N 2.10 4.36 0.44 2.97 1.43 -0.79 -4.11 118.68 125.07 3i3b s LEU 535 Ca 0.03 2.46 0.24 0.00 -1.03 0.00 0.00 54.13 55.83 3i3b s LEU 535 Cb -0.15 -3.57 0.78 0.00 0.03 0.00 0.00 46.19 43.28 3i3b s LEU 535 CO -0.07 -0.84 1.76 0.00 0.23 0.00 0.00 176.35 177.43 3i3b s GLU 537 N -3.47 0.48 0.03 0.00 2.02 -1.24 -4.20 118.70 112.32 3i3b s GLU 537 Ca 0.02 0.70 -0.28 0.00 0.02 0.00 0.00 54.97 55.44 3i3b s GLU 537 Cb 0.09 0.15 0.09 0.00 0.10 0.00 0.00 34.13 34.56 3i3b s GLU 537 CO 0.64 -0.10 0.85 1.52 0.02 0.00 0.00 175.26 178.19 3i3b s TYR 538 N 0.70 -0.36 -0.76 1.61 1.13 -1.14 0.13 117.35 118.66 3i3b s TYR 538 Ca -0.04 0.20 -0.00 0.00 -1.41 0.00 0.00 57.07 55.82 3i3b s TYR 538 Cb -0.05 0.55 0.00 0.00 -1.10 0.00 0.00 41.96 41.36 3i3b s TYR 538 CO -0.05 -0.61 0.68 0.00 -2.51 0.00 0.00 175.55 173.06 3i3b n ALA 539 N -0.28 -2.57 -1.73 9.51 0.00 -1.25 -2.36 120.51 121.83 3i3b n ALA 539 Ca -0.10 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 3i3b n ALA 539 Cb 0.62 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 3i3b n ALA 539 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3i3b s HIS 540 N -2.99 1.39 -0.27 0.00 2.46 -0.53 -3.80 115.29 111.54 3i3b s HIS 540 Ca 0.00 -0.11 0.01 0.00 0.47 0.00 0.00 55.06 55.44 3i3b s HIS 540 Cb -0.00 -4.13 0.33 0.00 -0.13 0.00 0.00 32.58 28.65 3i3b s HIS 540 CO 0.78 -4.89 1.62 0.00 -2.47 0.00 0.00 174.74 169.78 3i3b n ALA 541 N 8.45 4.43 -2.26 1.58 0.00 0.63 -4.24 120.51 129.10 3i3b n ALA 541 Ca 0.22 -1.62 -0.43 0.00 0.00 0.00 0.00 53.44 51.60 3i3b n ALA 541 Cb 0.42 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 3i3b n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3b s ALA 542 N -1.83 3.16 0.00 0.00 0.00 -1.26 -3.80 121.76 118.03 3i3b s ALA 542 Ca 0.31 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3i3b s ALA 542 Cb 0.26 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3i3b s ALA 542 CO 0.04 -2.16 0.00 0.41 0.00 0.00 0.00 175.76 174.06 3i3b n GLY 543 N 4.83 2.20 3.57 0.00 0.00 -1.26 -4.11 105.19 110.42 3i3b n GLY 543 Ca 0.18 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 3i3b n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i3b s ASN 544 N -4.00 5.93 0.00 1.61 3.84 -1.26 -4.85 114.94 116.21 3i3b s ASN 544 Ca 0.00 -1.53 0.00 0.00 0.21 0.00 0.00 52.86 51.54 3i3b s ASN 544 Cb 0.00 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 3i3b s ASN 544 CO 0.00 -2.07 0.00 -0.24 -2.79 0.00 0.00 177.10 172.00 3i3b n SER 545 N 11.22 0.74 -0.30 -4.21 2.88 -1.26 -4.79 113.62 117.90 3i3b n SER 545 Ca 0.41 -0.21 -0.03 0.00 -1.33 0.00 0.00 58.87 57.71 3i3b n SER 545 Cb 0.48 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.93 3i3b n SER 545 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3i3b n LEU 546 N 0.00 -0.79 -4.73 2.46 7.94 -1.21 -4.78 117.00 115.88 3i3b n LEU 546 Ca 0.00 0.03 -0.41 0.00 -1.11 0.00 0.00 56.01 54.51 3i3b n LEU 546 Cb 0.00 -0.85 -0.04 0.00 0.53 0.00 0.00 43.42 43.07 3i3b n LEU 546 CO 0.00 -0.08 0.80 -0.83 -1.11 0.00 0.00 177.39 176.17 3i3b s GLY 547 N -2.90 2.80 0.00 -3.96 0.00 0.83 -2.80 107.32 101.28 3i3b s GLY 547 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.53 3i3b s GLY 547 CO 0.00 1.70 0.00 0.61 0.00 0.00 0.00 173.10 175.41 3i3b n GLY 548 N 2.21 0.65 0.30 0.20 0.00 0.19 -4.13 105.19 104.61 3i3b n GLY 548 Ca 0.03 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 3i3b n GLY 548 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3i3b h PHE 549 N 0.00 1.05 -0.11 1.61 3.57 -1.71 -2.65 116.94 118.71 3i3b h PHE 549 Ca 0.00 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.44 3i3b h PHE 549 Cb 0.00 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.43 3i3b h PHE 549 CO 0.00 0.84 0.08 0.00 -2.23 0.00 0.00 178.31 177.00 3i3b h ALA 550 N 1.10 2.01 -0.21 2.41 0.00 -1.86 -2.03 119.26 120.68 3i3b h ALA 550 Ca 0.22 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3i3b h ALA 550 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3i3b h ALA 550 CO -0.01 -0.14 -0.17 -0.22 0.00 0.00 0.00 179.25 178.72 3i3b h LYS 551 N 0.00 0.36 -0.05 0.00 3.64 -1.87 -2.08 116.57 116.58 3i3b h LYS 551 Ca 0.05 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3i3b h LYS 551 Cb 0.21 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3i3b h LYS 551 CO -0.00 0.53 -0.05 1.88 -2.27 0.00 0.00 179.45 179.54 3i3b h TYR 552 N 0.34 0.13 0.00 1.91 0.05 -1.45 -2.94 116.97 115.01 3i3b h TYR 552 Ca 0.06 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 3i3b h TYR 552 Cb 0.49 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 3i3b h TYR 552 CO 0.01 0.57 -0.17 -1.49 -1.05 0.00 0.00 178.16 176.03 3i3b h TRP 553 N -0.34 0.00 -0.36 4.88 4.06 -1.47 0.31 115.95 123.03 3i3b h TRP 553 Ca 0.01 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.80 3i3b h TRP 553 Cb 0.55 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.71 3i3b h TRP 553 CO 0.09 0.17 -0.41 0.37 -3.56 0.00 0.00 178.44 175.11 3i3b h GLN 554 N 0.00 0.91 -0.42 0.49 -0.00 -1.39 -2.13 115.11 112.57 3i3b h GLN 554 Ca -0.00 -0.50 -0.11 0.00 -0.00 0.00 0.00 58.65 58.04 3i3b h GLN 554 Cb 0.35 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.85 3i3b h GLN 554 CO 0.02 1.15 -0.16 0.00 0.00 0.00 0.00 178.83 179.85 3i3b h ALA 555 N 0.75 0.58 -0.80 3.38 0.00 -1.11 -1.78 119.26 120.27 3i3b h ALA 555 Ca 0.05 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3i3b h ALA 555 Cb 1.00 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3i3b h ALA 555 CO 0.10 0.51 0.52 0.74 0.00 0.00 0.00 179.25 181.12 3i3b h PHE 556 N 0.67 0.97 0.00 0.00 0.04 -0.32 -1.68 116.94 116.62 3i3b h PHE 556 Ca 0.10 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.81 3i3b h PHE 556 Cb 0.71 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 3i3b h PHE 556 CO 0.05 0.57 -0.41 0.00 -0.60 0.00 0.00 178.31 177.92 3i3b h ARG 557 N 1.02 0.00 0.17 1.51 3.08 -1.27 -3.33 114.38 115.56 3i3b h ARG 557 Ca 0.32 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.03 3i3b h ARG 557 Cb -0.02 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.04 3i3b h ARG 557 CO -0.10 0.41 -1.68 0.37 -1.07 0.00 0.00 179.97 177.90 3i3b h GLN 558 N 0.00 0.36 -4.91 0.04 4.15 -0.92 -3.45 115.11 110.38 3i3b h GLN 558 Ca -0.00 -0.61 -0.67 0.00 0.77 0.00 0.00 58.65 58.13 3i3b h GLN 558 Cb 1.14 0.23 -0.18 0.00 0.21 0.00 0.00 27.48 28.88 3i3b h GLN 558 CO 0.05 1.26 -0.29 0.71 -1.93 0.00 0.00 178.83 178.63 3i3b s TYR 559 N -2.59 3.21 0.23 3.99 1.51 -0.67 -4.99 117.35 118.04 3i3b s TYR 559 Ca -0.13 -0.10 -0.06 0.00 -1.01 0.00 0.00 57.07 55.76 3i3b s TYR 559 Cb 0.06 -2.69 0.42 0.00 -0.11 0.00 0.00 41.96 39.63 3i3b s TYR 559 CO 0.86 -0.47 1.70 -1.35 -1.11 0.00 0.00 175.55 175.17 3i3b h PRO 560 N 8.51 0.29 0.00 -1.71 0.11 -1.87 -1.60 132.00 135.74 3i3b h PRO 560 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3i3b h PRO 560 Cb 1.14 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3i3b h PRO 560 CO 0.71 0.19 0.00 0.54 -0.21 0.00 0.00 178.00 179.23 3i3b n ARG 561 N -5.12 0.44 -2.99 1.05 1.74 -1.26 -4.36 116.66 106.16 3i3b n ARG 561 Ca 0.13 0.04 -0.44 0.00 -0.77 0.00 0.00 57.85 56.81 3i3b n ARG 561 Cb 0.41 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 3i3b n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i3b s LEU 562 N -2.47 4.92 -0.40 0.55 1.43 -0.60 -0.77 118.68 121.34 3i3b s LEU 562 Ca 0.26 -1.26 0.05 0.00 -1.03 0.00 0.00 54.13 52.16 3i3b s LEU 562 Cb 0.17 -2.36 0.62 0.00 0.03 0.00 0.00 46.19 44.65 3i3b s LEU 562 CO 0.37 -1.26 1.79 0.00 0.23 0.00 0.00 176.35 177.47 3i3b n GLN 563 N 6.97 2.13 0.00 1.70 6.02 -0.43 -4.64 117.38 129.14 3i3b n GLN 563 Ca -0.06 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 53.87 3i3b n GLN 563 Cb 0.44 -2.07 0.00 0.00 1.02 0.00 0.00 30.24 29.63 3i3b n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3b n GLY 564 N -1.14 -0.91 0.00 1.08 0.00 -1.26 -0.36 105.19 102.59 3i3b n GLY 564 Ca 0.52 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3i3b n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3b n GLY 565 N 0.00 -1.26 3.06 -0.02 0.00 -1.01 -1.89 105.19 104.07 3i3b n GLY 565 Ca 0.00 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 3i3b n GLY 565 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i3b s PHE 566 N -2.13 3.16 0.44 1.61 0.40 -0.02 -1.48 117.98 119.97 3i3b s PHE 566 Ca 0.00 -2.25 -0.25 0.00 -0.60 0.00 0.00 56.93 53.84 3i3b s PHE 566 Cb 0.00 -1.89 -0.09 0.00 0.51 0.00 0.00 43.02 41.54 3i3b s PHE 566 CO 0.00 -0.87 1.22 0.28 0.70 0.00 0.00 175.22 176.55 3i3b n VAL 567 N 4.46 2.70 -3.88 -0.44 0.31 0.11 -2.89 118.33 118.70 3i3b n VAL 567 Ca -0.14 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.34 3i3b n VAL 567 Cb 0.43 -1.48 -0.13 0.00 -0.91 0.00 0.00 33.84 31.74 3i3b n VAL 567 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3i3b s TRP 568 N -1.23 3.39 0.00 3.52 -0.11 -0.99 -0.44 118.94 123.08 3i3b s TRP 568 Ca 0.63 -2.11 0.00 0.00 1.22 0.00 0.00 56.10 55.84 3i3b s TRP 568 Cb -0.50 -2.49 0.00 0.00 -1.50 0.00 0.00 33.47 28.98 3i3b s TRP 568 CO 0.57 -0.86 0.00 -0.40 -4.62 0.00 0.00 176.95 171.63 3i3b n ASP 569 N 4.59 0.00 0.22 5.86 5.75 0.45 -0.27 116.55 133.15 3i3b n ASP 569 Ca -0.09 -0.57 -0.10 0.00 -0.01 0.00 0.00 54.79 54.02 3i3b n ASP 569 Cb 0.43 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.47 3i3b n ASP 569 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3i3b h TRP 570 N 0.57 -0.58 -4.22 2.11 2.91 -1.26 -1.99 115.95 113.50 3i3b h TRP 570 Ca 0.00 -0.01 -0.53 0.00 1.13 0.00 0.00 58.89 59.48 3i3b h TRP 570 Cb 0.00 0.19 -0.30 0.00 -0.51 0.00 0.00 29.16 28.55 3i3b h TRP 570 CO 0.00 -0.34 -0.83 0.54 -1.03 0.00 0.00 178.44 176.78 3i3b s VAL 571 N -3.67 1.29 0.22 2.65 0.11 -1.26 -1.04 120.40 118.69 3i3b s VAL 571 Ca -0.10 -0.69 -0.32 0.00 -2.93 0.00 0.00 61.98 57.94 3i3b s VAL 571 Cb 0.01 -1.08 -0.13 0.00 -1.53 0.00 0.00 36.38 33.65 3i3b s VAL 571 CO 0.30 0.37 1.53 0.47 -3.33 0.00 0.00 175.10 174.44 3i3b n ASP 572 N 2.76 3.20 -2.77 3.54 8.00 -0.71 -4.40 116.55 126.16 3i3b n ASP 572 Ca -0.15 1.11 -0.31 0.00 0.71 0.00 0.00 54.79 56.16 3i3b n ASP 572 Cb 0.54 -1.47 -0.04 0.00 -0.02 0.00 0.00 41.12 40.13 3i3b n ASP 572 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i3b n GLN 573 N 2.76 3.03 -3.33 -1.24 6.02 -0.20 -4.06 117.38 120.36 3i3b n GLN 573 Ca 0.13 -2.67 -0.29 0.00 -0.01 0.00 0.00 57.00 54.17 3i3b n GLN 573 Cb 0.32 -2.28 -0.03 0.00 1.02 0.00 0.00 30.24 29.27 3i3b n GLN 573 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i3b s SER 574 N 0.35 6.44 0.20 1.08 1.04 -1.26 -4.76 113.70 116.79 3i3b s SER 574 Ca 0.57 0.72 0.11 0.00 0.48 0.00 0.00 55.95 57.83 3i3b s SER 574 Cb 0.33 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 64.26 3i3b s SER 574 CO -0.19 -0.20 -0.21 -0.76 0.98 0.00 0.00 173.24 172.86 3i3b s LEU 575 N -3.57 2.55 0.03 2.42 1.43 -0.40 -4.29 118.68 116.84 3i3b s LEU 575 Ca 0.44 -0.84 -0.20 0.00 -1.03 0.00 0.00 54.13 52.49 3i3b s LEU 575 Cb -0.11 -1.24 -0.06 0.00 0.03 0.00 0.00 46.19 44.81 3i3b s LEU 575 CO 0.30 0.11 0.60 -0.63 0.23 0.00 0.00 176.35 176.95 3i3b s ILE 576 N -1.80 4.83 0.16 -0.59 -1.09 -0.59 0.07 121.20 122.18 3i3b s ILE 576 Ca 0.23 1.26 0.04 0.00 -2.23 0.00 0.00 60.65 59.95 3i3b s ILE 576 Cb -0.08 -3.93 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 3i3b s ILE 576 CO 0.11 0.47 -0.07 -0.54 -1.23 0.00 0.00 174.94 173.68 3i3b s LYS 577 N -0.52 1.07 -0.06 2.79 1.02 -0.62 -4.92 119.74 118.50 3i3b s LYS 577 Ca 0.31 -1.48 0.05 0.00 0.02 0.00 0.00 55.97 54.87 3i3b s LYS 577 Cb -0.19 -0.52 -0.00 0.00 -0.52 0.00 0.00 37.83 36.60 3i3b s LYS 577 CO 0.18 0.01 -0.21 0.71 -0.92 0.00 0.00 175.35 175.12 3i3b s TYR 578 N -3.42 2.17 0.82 3.18 2.02 -1.26 -0.11 117.35 120.75 3i3b s TYR 578 Ca 0.19 -0.70 -0.12 0.00 -0.37 0.00 0.00 57.07 56.06 3i3b s TYR 578 Cb 0.04 -1.44 0.09 0.00 -0.40 0.00 0.00 41.96 40.24 3i3b s TYR 578 CO 0.01 -0.24 1.17 0.16 -1.57 0.00 0.00 175.55 175.08 3i3b s ASP 579 N 0.05 4.41 0.40 2.29 1.47 0.31 -4.83 116.67 120.77 3i3b s ASP 579 Ca -0.07 0.81 0.15 0.00 1.18 0.00 0.00 52.55 54.62 3i3b s ASP 579 Cb -0.14 -1.32 0.81 0.00 -0.34 0.00 0.00 42.92 41.93 3i3b s ASP 579 CO 0.04 -1.97 1.37 -0.33 0.68 0.00 0.00 175.17 174.96 3i3b h GLU 580 N -1.10 0.00 -0.31 2.11 5.08 -2.01 0.60 114.58 118.95 3i3b h GLU 580 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3i3b h GLU 580 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3i3b h GLU 580 CO 0.65 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.75 3i3b n ASN 581 N -2.20 2.79 0.00 1.42 3.02 -1.26 -4.93 115.26 114.10 3i3b n ASN 581 Ca -0.01 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 3i3b n ASN 581 Cb 0.38 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 3i3b n ASN 581 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i3b n GLY 582 N 1.36 0.96 3.72 7.41 0.00 0.21 -5.01 105.19 113.85 3i3b n GLY 582 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3i3b n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i3b s ASN 583 N -2.98 7.40 0.39 1.61 0.01 -1.25 -4.75 114.94 115.37 3i3b s ASN 583 Ca 0.00 1.68 -0.18 0.00 -0.71 0.00 0.00 52.86 53.65 3i3b s ASN 583 Cb 0.00 -2.56 -0.10 0.00 0.41 0.00 0.00 41.25 39.00 3i3b s ASN 583 CO 0.00 -0.12 0.86 -2.16 -1.51 0.00 0.00 177.10 174.17 3i3b s PRO 584 N 0.34 4.10 0.04 -0.60 0.04 -1.26 -0.53 135.00 137.12 3i3b s PRO 584 Ca 0.47 0.89 -0.05 0.00 0.04 0.00 0.00 61.00 62.36 3i3b s PRO 584 Cb -0.22 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 3i3b s PRO 584 CO 0.28 0.03 0.08 1.67 0.04 0.00 0.00 177.00 179.10 3i3b s TRP 585 N -2.14 0.24 -0.22 0.56 1.48 0.85 -4.93 118.94 114.77 3i3b s TRP 585 Ca 0.58 -0.58 -0.27 0.00 -1.06 0.00 0.00 56.10 54.77 3i3b s TRP 585 Cb -0.10 -0.17 0.00 0.00 -1.16 0.00 0.00 33.47 32.04 3i3b s TRP 585 CO 0.17 -0.37 0.94 -1.12 -4.06 0.00 0.00 176.95 172.51 3i3b s SER 586 N -2.24 7.00 0.28 -2.66 0.01 -1.26 -1.59 113.70 113.24 3i3b s SER 586 Ca -0.03 1.24 0.08 0.00 1.31 0.00 0.00 55.95 58.55 3i3b s SER 586 Cb -0.00 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 3i3b s SER 586 CO -0.06 -0.58 0.15 0.00 0.41 0.00 0.00 173.24 173.16 3i3b s ALA 587 N 2.94 3.50 0.00 1.44 0.00 0.11 -4.92 121.76 124.83 3i3b s ALA 587 Ca 0.40 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.78 3i3b s ALA 587 Cb -0.15 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.91 3i3b s ALA 587 CO 0.07 0.18 0.00 2.48 0.00 0.00 0.00 175.76 178.50 3i3b n TYR 588 N -1.13 -0.13 -1.56 0.00 0.18 -1.26 -1.28 117.16 111.98 3i3b n TYR 588 Ca -0.06 0.00 -0.56 0.00 1.88 0.00 0.00 57.90 59.16 3i3b n TYR 588 Cb 0.59 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.48 3i3b n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3i3b n GLY 589 N 0.00 0.13 1.00 -7.48 0.00 -0.61 -1.60 105.19 96.63 3i3b n GLY 589 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 3i3b n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3b n GLY 590 N 2.20 2.34 0.00 -0.02 0.00 -1.26 -3.82 105.19 104.63 3i3b n GLY 590 Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 3i3b n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i3b n ASP 591 N 0.00 0.00 -0.14 1.61 8.00 -0.63 -3.05 116.55 122.33 3i3b n ASP 591 Ca 0.00 -1.37 0.09 0.00 0.71 0.00 0.00 54.79 54.22 3i3b n ASP 591 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.23 3i3b n ASP 591 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i3b n PHE 592 N -0.81 0.00 -1.00 1.24 3.01 -1.26 -4.92 117.46 113.72 3i3b n PHE 592 Ca 0.15 -0.91 0.00 0.00 1.01 0.00 0.00 57.45 57.70 3i3b n PHE 592 Cb 0.07 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 3i3b n PHE 592 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i3b n GLY 593 N -1.26 0.96 3.71 1.37 0.00 -1.17 -4.77 105.19 104.02 3i3b n GLY 593 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3i3b n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i3b s ASP 594 N -2.93 6.87 -0.28 1.61 -4.77 -1.26 -5.01 116.67 110.91 3i3b s ASP 594 Ca 0.00 2.22 -0.23 0.00 -3.30 0.00 0.00 52.55 51.24 3i3b s ASP 594 Cb 0.00 -2.58 0.09 0.00 -1.09 0.00 0.00 42.92 39.35 3i3b s ASP 594 CO 0.00 -0.64 0.84 0.28 0.70 0.00 0.00 175.17 176.35 3i3b s THR 595 N 1.47 0.00 0.83 2.11 -1.32 -1.26 -4.03 115.64 113.44 3i3b s THR 595 Ca 0.64 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 61.00 3i3b s THR 595 Cb -0.34 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 69.74 3i3b s THR 595 CO 0.29 0.00 1.16 -2.84 -2.21 0.00 0.00 174.62 171.02 3i3b s PRO 596 N 0.53 1.59 0.18 7.08 0.02 -1.26 -5.16 135.00 137.99 3i3b s PRO 596 Ca -0.01 1.56 -0.14 0.00 0.02 0.00 0.00 61.00 62.44 3i3b s PRO 596 Cb -0.05 -1.79 0.01 0.00 0.02 0.00 0.00 34.50 32.69 3i3b s PRO 596 CO -0.05 -2.21 0.42 0.54 -0.33 0.00 0.00 177.00 175.37 3i3b s ASN 597 N -2.56 -0.12 -0.26 2.53 2.20 -1.26 -4.72 114.94 110.74 3i3b s ASN 597 Ca 0.68 -0.67 0.10 0.00 -0.94 0.00 0.00 52.86 52.04 3i3b s ASN 597 Cb -0.24 0.52 0.48 0.00 -2.00 0.00 0.00 41.25 40.01 3i3b s ASN 597 CO 0.53 -0.99 1.38 0.47 -2.94 0.00 0.00 177.10 175.55 3i3b n ASP 598 N -0.29 2.28 0.00 3.54 8.00 -0.63 -4.35 116.55 125.10 3i3b n ASP 598 Ca -0.08 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.64 3i3b n ASP 598 Cb 0.63 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3i3b n ASP 598 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i3b n ARG 599 N -1.11 0.00 0.00 -1.24 1.74 -1.25 -1.55 116.66 113.25 3i3b n ARG 599 Ca 0.28 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.43 3i3b n ARG 599 Cb 0.92 0.00 0.40 0.00 -1.02 0.00 0.00 32.46 32.76 3i3b n ARG 599 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i3b n GLN 600 N 14.00 0.65 0.00 5.56 0.00 -1.26 -1.57 117.38 134.75 3i3b n GLN 600 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 57.00 57.08 3i3b n GLN 600 Cb 0.00 -1.32 0.46 0.00 0.00 0.00 0.00 30.24 29.38 3i3b n GLN 600 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3i3b n PHE 601 N -0.82 0.00 1.29 2.61 -0.00 -0.60 -2.02 117.46 117.92 3i3b n PHE 601 Ca 0.10 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.68 3i3b n PHE 601 Cb 0.05 -0.16 0.41 0.00 -0.00 0.00 0.00 39.48 39.78 3i3b n PHE 601 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i3b s MET 603 N -1.90 1.98 -0.06 0.00 -1.94 -0.86 -1.03 119.30 115.48 3i3b s MET 603 Ca 0.35 -2.14 0.20 0.00 -1.71 0.00 0.00 55.69 52.38 3i3b s MET 603 Cb 0.20 -3.47 0.39 0.00 2.01 0.00 0.00 34.83 33.96 3i3b s MET 603 CO 0.31 -1.07 1.17 0.09 -0.01 0.00 0.00 175.02 175.51 3i3b n ASN 604 N 3.98 1.17 -4.93 3.03 5.03 -1.26 -4.15 115.26 118.13 3i3b n ASN 604 Ca 0.03 -2.57 -0.25 0.00 0.87 0.00 0.00 54.58 52.66 3i3b n ASN 604 Cb 0.39 -0.36 0.01 0.00 -1.02 0.00 0.00 39.78 38.80 3i3b n ASN 604 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3i3b s GLY 605 N -2.30 1.52 0.14 7.41 0.00 -1.25 -0.41 107.32 112.43 3i3b s GLY 605 Ca 0.32 -0.76 0.26 0.00 0.00 0.00 0.00 44.72 44.55 3i3b s GLY 605 CO -0.12 -0.58 1.67 1.04 0.00 0.00 0.00 173.10 175.10 3i3b n LEU 606 N -2.22 0.64 -4.11 0.66 4.77 -0.20 -4.75 117.00 111.80 3i3b n LEU 606 Ca 0.01 0.45 -0.10 0.00 -0.03 0.00 0.00 56.01 56.33 3i3b n LEU 606 Cb 0.57 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.24 3i3b n LEU 606 CO 0.51 -0.10 -0.38 0.68 -1.33 0.00 0.00 177.39 176.76 3i3b s VAL 607 N -3.10 0.51 0.93 4.08 -7.23 -0.84 -0.68 120.40 114.07 3i3b s VAL 607 Ca 0.10 -1.56 -0.12 0.00 -1.81 0.00 0.00 61.98 58.59 3i3b s VAL 607 Cb 0.14 -1.20 0.15 0.00 0.56 0.00 0.00 36.38 36.03 3i3b s VAL 607 CO 0.62 -0.72 1.10 -0.36 -0.31 0.00 0.00 175.10 175.44 3i3b s PHE 608 N -2.81 2.32 0.52 2.82 0.08 0.12 -1.74 117.98 119.30 3i3b s PHE 608 Ca 0.02 1.07 0.21 0.00 0.12 0.00 0.00 56.93 58.34 3i3b s PHE 608 Cb -0.00 -3.23 1.33 0.00 -0.57 0.00 0.00 43.02 40.54 3i3b s PHE 608 CO -0.04 -2.52 2.06 0.00 -0.10 0.00 0.00 175.22 174.62 3i3b h ALA 609 N -1.63 2.26 -0.31 5.36 0.00 -1.89 0.32 119.26 123.37 3i3b h ALA 609 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3i3b h ALA 609 Cb 1.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3i3b h ALA 609 CO 0.58 -0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.08 3i3b n ASP 610 N -4.45 1.85 -0.08 0.00 5.68 -1.26 -4.46 116.55 113.83 3i3b n ASP 610 Ca 0.04 -2.05 -0.01 0.00 -0.50 0.00 0.00 54.79 52.27 3i3b n ASP 610 Cb 0.37 -0.25 -0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3i3b n ASP 610 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3i3b n ARG 611 N 0.41 -0.51 -2.37 0.11 3.00 0.11 -5.01 116.66 112.40 3i3b n ARG 611 Ca 0.11 0.24 -0.41 0.00 -0.01 0.00 0.00 57.85 57.78 3i3b n ARG 611 Cb 0.31 -3.70 -0.04 0.00 0.00 0.00 0.00 32.46 29.03 3i3b n ARG 611 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3i3b s THR 612 N -1.82 3.44 0.38 0.55 2.01 -1.26 -4.70 115.64 114.25 3i3b s THR 612 Ca 0.00 1.30 -0.26 0.00 0.31 0.00 0.00 61.69 63.04 3i3b s THR 612 Cb 0.00 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.60 3i3b s THR 612 CO 0.00 0.25 1.18 -2.84 -0.69 0.00 0.00 174.62 172.52 3i3b s PRO 613 N -0.73 4.15 0.52 4.92 0.02 -1.26 0.12 135.00 142.73 3i3b s PRO 613 Ca 0.50 1.90 -0.05 0.00 0.02 0.00 0.00 61.00 63.36 3i3b s PRO 613 Cb -0.33 -2.78 -0.02 0.00 0.02 0.00 0.00 34.50 31.39 3i3b s PRO 613 CO 0.40 -0.25 0.82 -1.01 -0.33 0.00 0.00 177.00 176.62 3i3b s HIS 614 N -1.35 3.46 0.41 6.54 3.76 0.14 -4.81 115.29 123.45 3i3b s HIS 614 Ca 0.55 0.74 0.10 0.00 -0.15 0.00 0.00 55.06 56.30 3i3b s HIS 614 Cb -0.32 -2.44 0.92 0.00 1.11 0.00 0.00 32.58 31.85 3i3b s HIS 614 CO 0.41 -0.45 1.99 -1.35 -0.85 0.00 0.00 174.74 174.49 3i3b h PRO 615 N 0.10 0.51 0.00 8.40 0.11 -1.93 -2.61 132.00 136.58 3i3b h PRO 615 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3i3b h PRO 615 Cb 1.22 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3i3b h PRO 615 CO 0.61 0.34 -0.03 0.00 -0.21 0.00 0.00 178.00 178.71 3i3b h ALA 616 N 1.69 1.23 -0.85 -0.75 0.00 -1.86 -2.84 119.26 115.87 3i3b h ALA 616 Ca 0.26 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3i3b h ALA 616 Cb 0.33 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3i3b h ALA 616 CO -0.07 0.03 0.52 1.25 0.00 0.00 0.00 179.25 180.98 3i3b h LEU 617 N 0.00 0.80 -1.41 0.00 5.85 -1.65 -1.33 115.31 117.57 3i3b h LEU 617 Ca -0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 3i3b h LEU 617 Cb 0.11 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3i3b h LEU 617 CO 0.00 0.51 -0.24 0.00 -0.34 0.00 0.00 178.44 178.37 3i3b h THR 618 N 0.93 1.20 -0.39 1.05 1.03 -1.71 0.02 112.91 115.03 3i3b h THR 618 Ca 0.37 -0.93 -0.15 0.00 -0.01 0.00 0.00 66.41 65.70 3i3b h THR 618 Cb 0.20 1.44 -0.01 0.00 -1.07 0.00 0.00 68.15 68.71 3i3b h THR 618 CO -0.18 0.27 -0.35 -0.08 -0.01 0.00 0.00 175.52 175.16 3i3b h GLU 619 N 0.07 0.92 -0.24 0.00 4.57 -1.41 -1.65 114.58 116.84 3i3b h GLU 619 Ca 0.01 -0.46 -0.04 0.00 -1.18 0.00 0.00 59.36 57.69 3i3b h GLU 619 Cb 0.47 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3i3b h GLU 619 CO 0.03 1.11 0.01 0.00 -1.18 0.00 0.00 179.01 178.98 3i3b h ALA 620 N 0.83 0.32 -0.42 2.92 0.00 -0.73 -2.04 119.26 120.14 3i3b h ALA 620 Ca 0.07 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3i3b h ALA 620 Cb 0.94 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3i3b h ALA 620 CO 0.09 0.04 0.17 -0.22 0.00 0.00 0.00 179.25 179.34 3i3b h LYS 621 N 0.20 0.35 -0.37 0.00 3.64 -0.93 -0.14 116.57 119.32 3i3b h LYS 621 Ca 0.07 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3i3b h LYS 621 Cb 0.40 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3i3b h LYS 621 CO 0.01 0.23 0.05 1.25 -2.27 0.00 0.00 179.45 178.73 3i3b h HIS 622 N 0.36 0.65 0.00 1.91 2.76 -1.25 -2.67 115.15 116.92 3i3b h HIS 622 Ca 0.19 -0.09 -0.06 0.00 -2.20 0.00 0.00 60.37 58.21 3i3b h HIS 622 Cb 0.15 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 3i3b h HIS 622 CO -0.13 0.67 -0.29 1.96 -1.30 0.00 0.00 177.93 178.83 3i3b h GLN 623 N 0.45 0.00 -0.38 5.26 1.08 -1.21 -2.88 115.11 117.43 3i3b h GLN 623 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3i3b h GLN 623 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3i3b h GLN 623 CO 0.01 0.29 0.00 1.04 -0.95 0.00 0.00 178.83 179.22 3i3b n GLN 624 N -3.53 1.91 -1.62 1.46 6.02 -0.08 -4.96 117.38 116.58 3i3b n GLN 624 Ca -0.00 -1.41 -0.42 0.00 -0.01 0.00 0.00 57.00 55.15 3i3b n GLN 624 Cb 0.44 -1.32 0.01 0.00 1.02 0.00 0.00 30.24 30.39 3i3b n GLN 624 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3i3b n GLN 625 N 0.65 1.47 0.00 -1.09 6.02 -1.03 -4.86 117.38 118.54 3i3b n GLN 625 Ca 0.14 0.52 0.13 0.00 -0.01 0.00 0.00 57.00 57.78 3i3b n GLN 625 Cb 0.34 -2.07 0.41 0.00 1.02 0.00 0.00 30.24 29.94 3i3b n GLN 625 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3i3b n PHE 626 N -0.29 0.00 -4.64 1.08 3.01 -1.26 -4.80 117.46 110.56 3i3b n PHE 626 Ca 0.09 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.26 3i3b n PHE 626 Cb 0.38 -0.06 -0.17 0.00 -0.01 0.00 0.00 39.48 39.62 3i3b n PHE 626 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3i3b s PHE 627 N -2.28 2.11 0.07 1.38 0.08 -1.26 0.21 117.98 118.28 3i3b s PHE 627 Ca 0.30 -0.96 0.04 0.00 0.12 0.00 0.00 56.93 56.43 3i3b s PHE 627 Cb 0.20 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 41.13 3i3b s PHE 627 CO 0.44 -0.46 -0.02 -0.65 -0.10 0.00 0.00 175.22 174.43 3i3b s GLN 628 N 0.80 2.54 0.09 0.44 -1.52 -0.08 -4.92 119.66 117.01 3i3b s GLN 628 Ca -0.10 -0.81 0.06 0.00 -1.95 0.00 0.00 55.36 52.57 3i3b s GLN 628 Cb -0.16 -2.53 -0.03 0.00 -0.22 0.00 0.00 33.01 30.07 3i3b s GLN 628 CO 0.01 0.56 -0.17 -0.06 -0.25 0.00 0.00 175.29 175.38 3i3b s PHE 629 N -1.23 1.47 -0.03 0.91 0.08 -1.26 -0.69 117.98 117.22 3i3b s PHE 629 Ca 0.23 -0.45 -0.02 0.00 0.12 0.00 0.00 56.93 56.81 3i3b s PHE 629 Cb -0.12 -0.81 0.02 0.00 -0.57 0.00 0.00 43.02 41.55 3i3b s PHE 629 CO 0.15 0.13 0.08 1.03 -0.10 0.00 0.00 175.22 176.51 3i3b s ARG 630 N -1.94 0.06 -0.10 0.44 0.52 -0.79 -4.98 118.95 112.16 3i3b s ARG 630 Ca 0.03 0.19 0.01 0.00 -0.52 0.00 0.00 55.73 55.43 3i3b s ARG 630 Cb -0.09 -0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.27 3i3b s ARG 630 CO 0.03 -0.09 -0.11 -1.17 0.02 0.00 0.00 175.30 173.98 3i3b s LEU 631 N 0.58 2.86 -0.20 2.53 2.96 -1.26 -0.12 118.68 126.03 3i3b s LEU 631 Ca -0.05 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 3i3b s LEU 631 Cb -0.06 -1.63 0.08 0.00 0.50 0.00 0.00 46.19 45.08 3i3b s LEU 631 CO -0.02 0.25 0.15 -0.55 -1.32 0.00 0.00 176.35 174.86 3i3b s SER 632 N -0.14 2.06 1.66 3.68 0.15 0.55 -5.01 113.70 116.65 3i3b s SER 632 Ca -0.00 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.11 3i3b s SER 632 Cb -0.13 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 3i3b s SER 632 CO 0.03 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.73 3i3b n GLY 633 N 5.29 1.40 0.33 9.45 0.00 -1.26 -0.10 105.19 120.31 3i3b n GLY 633 Ca -0.06 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.21 3i3b n GLY 633 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i3b n GLN 634 N 0.00 0.46 -3.27 1.61 6.02 -1.26 -4.98 117.38 115.97 3i3b n GLN 634 Ca 0.00 -1.09 -0.39 0.00 -0.01 0.00 0.00 57.00 55.51 3i3b n GLN 634 Cb 0.00 -1.16 -0.07 0.00 1.02 0.00 0.00 30.24 30.04 3i3b n GLN 634 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3i3b s THR 635 N -0.70 5.12 -0.22 5.09 2.01 0.86 -0.32 115.64 127.48 3i3b s THR 635 Ca 0.10 0.93 -0.07 0.00 0.31 0.00 0.00 61.69 62.97 3i3b s THR 635 Cb 0.07 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 3i3b s THR 635 CO 0.10 0.20 0.05 -0.63 -0.69 0.00 0.00 174.62 173.65 3i3b s ILE 636 N 1.50 4.35 -0.28 1.82 1.01 0.95 -0.33 121.20 130.22 3i3b s ILE 636 Ca 0.24 -0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.61 3i3b s ILE 636 Cb -0.15 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 3i3b s ILE 636 CO 0.10 0.40 0.16 -0.70 0.00 0.00 0.00 174.94 174.89 3i3b s GLU 637 N 1.09 3.72 -0.24 2.79 2.12 0.83 -0.73 118.70 128.27 3i3b s GLU 637 Ca 0.04 -0.46 -0.07 0.00 0.36 0.00 0.00 54.97 54.83 3i3b s GLU 637 Cb -0.14 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 3i3b s GLU 637 CO 0.03 -0.25 0.06 0.08 -0.54 0.00 0.00 175.26 174.63 3i3b s VAL 638 N 1.69 4.25 -0.12 3.70 1.01 -0.35 -1.88 120.40 128.69 3i3b s VAL 638 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3i3b s VAL 638 Cb -0.16 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 3i3b s VAL 638 CO 0.08 0.35 -0.09 -0.89 0.00 0.00 0.00 175.10 174.56 3i3b s THR 639 N 1.52 3.45 -0.03 3.92 2.01 0.14 -1.16 115.64 125.48 3i3b s THR 639 Ca 0.06 -0.53 -0.18 0.00 0.31 0.00 0.00 61.69 61.34 3i3b s THR 639 Cb -0.15 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 3i3b s THR 639 CO 0.03 0.53 0.51 -0.55 -0.69 0.00 0.00 174.62 174.45 3i3b s SER 640 N 0.09 6.86 -0.08 3.53 0.15 -0.63 -0.91 113.70 122.71 3i3b s SER 640 Ca -0.03 1.02 0.16 0.00 0.70 0.00 0.00 55.95 57.79 3i3b s SER 640 Cb -0.14 -2.31 0.54 0.00 -1.71 0.00 0.00 66.02 62.39 3i3b s SER 640 CO 0.04 0.15 1.45 -0.62 1.20 0.00 0.00 173.24 175.46 3i3b n GLU 641 N 2.68 3.19 -2.75 5.44 1.02 0.13 -2.44 120.64 127.91 3i3b n GLU 641 Ca -0.09 -2.58 -0.37 0.00 -0.02 0.00 0.00 57.16 54.10 3i3b n GLU 641 Cb 0.51 -1.64 -0.06 0.00 -0.02 0.00 0.00 31.44 30.23 3i3b n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3i3b s TYR 642 N -1.67 3.65 -0.11 -0.32 2.02 -1.26 -4.88 117.35 114.78 3i3b s TYR 642 Ca 0.40 1.77 0.21 0.00 -0.37 0.00 0.00 57.07 59.08 3i3b s TYR 642 Cb 0.25 -2.95 -0.23 0.00 -0.40 0.00 0.00 41.96 38.63 3i3b s TYR 642 CO 0.19 0.11 0.61 1.28 -1.57 0.00 0.00 175.55 176.17 3i3b n LEU 643 N 0.51 0.30 0.00 -1.29 4.77 -1.26 -2.25 117.00 117.77 3i3b n LEU 643 Ca 0.02 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3i3b n LEU 643 Cb 0.50 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3i3b n LEU 643 CO 0.45 0.02 -0.27 0.49 -1.33 0.00 0.00 177.39 176.75 3i3b n PHE 644 N -2.48 0.00 -3.18 -1.77 3.72 -1.26 -4.87 117.46 107.62 3i3b n PHE 644 Ca -0.07 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.02 3i3b n PHE 644 Cb 0.66 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.15 3i3b n PHE 644 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3i3b s ARG 645 N -1.53 3.80 0.37 -1.08 1.70 -1.26 -4.79 118.95 116.16 3i3b s ARG 645 Ca 0.00 0.35 -0.04 0.00 -0.47 0.00 0.00 55.73 55.58 3i3b s ARG 645 Cb 0.00 -2.53 -0.04 0.00 -0.57 0.00 0.00 34.95 31.81 3i3b s ARG 645 CO 0.00 0.16 0.64 -1.58 -1.08 0.00 0.00 175.30 173.43 3i3b s HIS 646 N -2.07 3.51 -1.53 5.89 5.65 -1.26 -3.36 115.29 122.11 3i3b s HIS 646 Ca 0.49 0.63 -0.11 0.00 0.25 0.00 0.00 55.06 56.32 3i3b s HIS 646 Cb -0.11 -2.12 -0.05 0.00 -1.18 0.00 0.00 32.58 29.12 3i3b s HIS 646 CO 0.25 0.00 2.69 -1.13 -0.65 0.00 0.00 174.74 175.90 3i3b n SER 647 N -1.61 6.99 -0.69 9.88 3.41 -0.90 -4.69 113.62 126.01 3i3b n SER 647 Ca -0.02 -2.64 0.02 0.00 -0.26 0.00 0.00 58.87 55.97 3i3b n SER 647 Cb 0.55 -1.56 0.10 0.00 -0.26 0.00 0.00 64.21 63.04 3i3b n SER 647 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i3b n ASP 648 N 4.46 1.83 -2.72 4.04 5.75 -1.26 -3.78 116.55 124.86 3i3b n ASP 648 Ca 0.69 -2.16 -0.08 0.00 -0.01 0.00 0.00 54.79 53.23 3i3b n ASP 648 Cb 0.28 -0.40 0.10 0.00 -1.03 0.00 0.00 41.12 40.07 3i3b n ASP 648 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3i3b n ASN 649 N 0.13 -1.85 -3.79 -1.12 5.15 -1.26 -5.05 115.26 107.47 3i3b n ASN 649 Ca 0.07 -2.85 -0.13 0.00 -0.60 0.00 0.00 54.58 51.07 3i3b n ASN 649 Cb 0.38 1.20 -0.14 0.00 -0.53 0.00 0.00 39.78 40.69 3i3b n ASN 649 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3i3b s GLU 650 N 0.03 0.06 -0.03 1.20 8.01 -1.25 -4.14 118.70 122.59 3i3b s GLU 650 Ca 0.23 0.22 0.03 0.00 0.01 0.00 0.00 54.97 55.45 3i3b s GLU 650 Cb 0.37 -0.10 0.00 0.00 -4.31 0.00 0.00 34.13 30.10 3i3b s GLU 650 CO -0.07 -0.10 -0.10 -1.17 0.01 0.00 0.00 175.26 173.83 3i3b s LEU 651 N 0.65 1.78 -0.28 1.80 2.96 0.16 -2.52 118.68 123.23 3i3b s LEU 651 Ca -0.05 -0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 53.53 3i3b s LEU 651 Cb -0.07 -0.63 -0.05 0.00 0.50 0.00 0.00 46.19 45.94 3i3b s LEU 651 CO -0.03 0.07 0.20 -0.22 -1.32 0.00 0.00 176.35 175.06 3i3b s LEU 652 N 0.22 4.04 -0.16 -0.68 2.96 0.72 0.31 118.68 126.10 3i3b s LEU 652 Ca -0.04 -0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.78 3i3b s LEU 652 Cb -0.10 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 3i3b s LEU 652 CO 0.01 -0.06 0.09 -1.00 -1.32 0.00 0.00 176.35 174.06 3i3b s HIS 653 N 1.77 3.36 0.05 5.38 3.76 0.25 0.03 115.29 129.90 3i3b s HIS 653 Ca 0.07 0.26 0.08 0.00 -0.15 0.00 0.00 55.06 55.33 3i3b s HIS 653 Cb -0.16 -2.02 -0.03 0.00 1.11 0.00 0.00 32.58 31.48 3i3b s HIS 653 CO 0.11 0.38 -0.23 1.67 -0.85 0.00 0.00 174.74 175.81 3i3b s TRP 654 N -0.16 2.02 -0.07 1.40 1.48 -0.29 -0.78 118.94 122.54 3i3b s TRP 654 Ca 0.08 -0.39 -0.05 0.00 -1.06 0.00 0.00 56.10 54.69 3i3b s TRP 654 Cb -0.12 -1.20 0.03 0.00 -1.16 0.00 0.00 33.47 31.03 3i3b s TRP 654 CO 0.01 0.12 0.18 1.41 -4.06 0.00 0.00 176.95 174.61 3i3b s MET 655 N -1.29 0.16 -0.05 3.25 1.75 0.16 -1.25 119.30 122.03 3i3b s MET 655 Ca 0.09 0.34 0.06 0.00 -1.25 0.00 0.00 55.69 54.93 3i3b s MET 655 Cb -0.09 -0.04 -0.02 0.00 2.84 0.00 0.00 34.83 37.52 3i3b s MET 655 CO 0.02 -0.10 -0.22 0.08 -0.65 0.00 0.00 175.02 174.16 3i3b s VAL 656 N 0.68 2.40 -0.03 10.11 1.01 0.23 0.46 120.40 135.26 3i3b s VAL 656 Ca -0.05 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 3i3b s VAL 656 Cb -0.06 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.44 3i3b s VAL 656 CO -0.04 0.58 0.21 0.00 0.00 0.00 0.00 175.10 175.86 3i3b s ALA 657 N -0.44 -0.53 -0.41 5.51 0.00 -0.46 -1.43 121.76 124.00 3i3b s ALA 657 Ca 0.05 0.23 -0.14 0.00 0.00 0.00 0.00 51.96 52.09 3i3b s ALA 657 Cb -0.12 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.98 3i3b s ALA 657 CO 0.01 -0.20 0.29 -1.17 0.00 0.00 0.00 175.76 174.70 3i3b s LEU 658 N -0.93 5.07 -1.47 0.00 2.96 -0.06 -0.46 118.68 123.78 3i3b s LEU 658 Ca -0.10 -0.94 -0.02 0.00 -0.22 0.00 0.00 54.13 52.85 3i3b s LEU 658 Cb -0.05 -2.14 0.01 0.00 0.50 0.00 0.00 46.19 44.52 3i3b s LEU 658 CO 0.02 -0.45 0.33 0.47 -1.32 0.00 0.00 176.35 175.40 3i3b n ASP 659 N 5.13 -0.17 0.00 3.68 8.00 -0.95 -0.74 116.55 131.50 3i3b n ASP 659 Ca -0.11 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.30 3i3b n ASP 659 Cb 0.47 -2.60 0.00 0.00 -0.02 0.00 0.00 41.12 38.97 3i3b n ASP 659 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i3b n GLY 660 N -2.10 1.02 3.49 0.44 0.00 -1.26 -4.81 105.19 101.96 3i3b n GLY 660 Ca -0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 3i3b n GLY 660 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3b s LYS 661 N -0.19 3.37 0.13 1.61 1.02 0.08 -4.64 119.74 121.12 3i3b s LYS 661 Ca 0.00 -0.72 -0.35 0.00 0.02 0.00 0.00 55.97 54.92 3i3b s LYS 661 Cb 0.00 -3.74 -0.16 0.00 -0.52 0.00 0.00 37.83 33.41 3i3b s LYS 661 CO 0.00 -0.47 1.33 -2.30 -0.92 0.00 0.00 175.35 172.99 3i3b n PRO 662 N 5.07 1.33 0.00 -1.68 -0.02 -1.26 -0.88 135.00 137.56 3i3b n PRO 662 Ca -0.13 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3i3b n PRO 662 Cb 0.49 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3i3b n PRO 662 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3i3b n LEU 663 N 2.49 0.00 -3.64 2.45 -0.00 -0.52 -4.84 117.00 112.95 3i3b n LEU 663 Ca 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.15 3i3b n LEU 663 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.62 3i3b n LEU 663 CO 0.62 0.00 1.15 0.00 -0.00 0.00 0.00 177.39 179.16 3i3b s ALA 664 N -1.52 -2.17 0.11 1.96 0.00 -1.07 -4.95 121.76 114.13 3i3b s ALA 664 Ca 0.00 1.86 -0.26 0.00 0.00 0.00 0.00 51.96 53.56 3i3b s ALA 664 Cb 0.00 -0.60 0.07 0.00 0.00 0.00 0.00 23.12 22.60 3i3b s ALA 664 CO 0.00 -0.49 0.95 -1.54 0.00 0.00 0.00 175.76 174.68 3i3b s SER 665 N -1.83 -0.22 0.04 0.00 1.04 -1.26 -0.60 113.70 110.87 3i3b s SER 665 Ca 0.11 -0.30 -0.19 0.00 0.48 0.00 0.00 55.95 56.06 3i3b s SER 665 Cb -0.01 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.63 3i3b s SER 665 CO -0.04 -0.82 0.86 0.61 0.98 0.00 0.00 173.24 174.83 3i3b n GLY 666 N -0.42 0.51 3.00 7.32 0.00 -0.38 -5.00 105.19 110.22 3i3b n GLY 666 Ca -0.07 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 3i3b n GLY 666 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i3b s GLU 667 N -2.02 0.16 -0.05 1.61 -1.05 -1.26 -1.14 118.70 114.95 3i3b s GLU 667 Ca 0.20 0.49 0.06 0.00 -0.15 0.00 0.00 54.97 55.57 3i3b s GLU 667 Cb -0.01 -0.14 -0.01 0.00 -0.44 0.00 0.00 34.13 33.52 3i3b s GLU 667 CO 0.01 -0.18 -0.25 0.08 0.95 0.00 0.00 175.26 175.87 3i3b s VAL 668 N 1.35 2.06 0.40 1.83 1.01 0.10 -4.96 120.40 122.20 3i3b s VAL 668 Ca -0.08 -1.07 -0.25 0.00 0.00 0.00 0.00 61.98 60.58 3i3b s VAL 668 Cb -0.11 -1.73 -0.09 0.00 0.00 0.00 0.00 36.38 34.45 3i3b s VAL 668 CO -0.08 0.57 1.12 -2.84 0.00 0.00 0.00 175.10 173.87 3i3b s PRO 669 N -0.25 4.11 -0.25 2.72 0.02 -1.26 -0.20 135.00 139.88 3i3b s PRO 669 Ca -0.01 1.70 -0.11 0.00 0.02 0.00 0.00 61.00 62.61 3i3b s PRO 669 Cb -0.13 -2.63 -0.05 0.00 0.02 0.00 0.00 34.50 31.71 3i3b s PRO 669 CO 0.03 -0.24 0.17 -0.51 -0.33 0.00 0.00 177.00 176.12 3i3b s LEU 670 N -2.53 4.09 -0.51 -5.54 1.43 -1.05 -4.81 118.68 109.76 3i3b s LEU 670 Ca 0.57 0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.81 3i3b s LEU 670 Cb -0.27 -2.11 0.21 0.00 0.03 0.00 0.00 46.19 44.05 3i3b s LEU 670 CO 0.34 0.04 0.51 -0.67 0.23 0.00 0.00 176.35 176.80 3i3b n ASP 671 N 4.47 1.27 -4.20 2.29 2.03 -1.26 -4.71 116.55 116.44 3i3b n ASP 671 Ca -0.15 -2.85 -0.31 0.00 0.52 0.00 0.00 54.79 52.00 3i3b n ASP 671 Cb 0.52 -0.64 -0.17 0.00 -0.72 0.00 0.00 41.12 40.11 3i3b n ASP 671 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3i3b s VAL 672 N -1.14 1.97 0.65 5.18 0.11 -1.26 -4.89 120.40 121.03 3i3b s VAL 672 Ca 0.33 -0.97 -0.11 0.00 -2.93 0.00 0.00 61.98 58.31 3i3b s VAL 672 Cb 0.09 -1.71 -0.02 0.00 -1.53 0.00 0.00 36.38 33.21 3i3b s VAL 672 CO -0.13 0.54 1.04 0.00 -3.33 0.00 0.00 175.10 173.23 3i3b s ALA 673 N 0.37 2.93 0.19 1.54 0.00 -1.26 -2.12 121.76 123.41 3i3b s ALA 673 Ca -0.19 -0.03 -0.33 0.00 0.00 0.00 0.00 51.96 51.41 3i3b s ALA 673 Cb -0.18 -3.11 -0.14 0.00 0.00 0.00 0.00 23.12 19.69 3i3b s ALA 673 CO 0.09 -0.91 1.54 -0.35 0.00 0.00 0.00 175.76 176.12 3i3b n PRO 674 N -2.91 2.18 -0.86 0.00 -0.04 -1.21 0.25 135.00 132.42 3i3b n PRO 674 Ca 0.07 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 3i3b n PRO 674 Cb 0.54 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3i3b n PRO 674 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i3b n GLN 675 N 2.99 -0.28 -2.20 0.54 1.13 -0.96 -4.94 117.38 113.67 3i3b n GLN 675 Ca 0.15 0.07 -0.21 0.00 -1.94 0.00 0.00 57.00 55.07 3i3b n GLN 675 Cb 0.30 -3.52 0.12 0.00 0.11 0.00 0.00 30.24 27.25 3i3b n GLN 675 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i3b n GLY 676 N -1.76 0.23 3.13 1.08 0.00 0.14 -4.77 105.19 103.23 3i3b n GLY 676 Ca 0.00 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 3i3b n GLY 676 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3b s LYS 677 N -4.94 0.73 -0.03 1.61 1.02 -1.26 -1.61 119.74 115.26 3i3b s LYS 677 Ca 0.60 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 55.54 3i3b s LYS 677 Cb -0.03 -0.37 0.03 0.00 -0.52 0.00 0.00 37.83 36.94 3i3b s LYS 677 CO 0.40 0.05 0.00 -1.14 -0.92 0.00 0.00 175.35 173.75 3i3b s GLN 678 N -2.59 0.25 -0.18 1.68 0.74 -0.31 -4.87 119.66 114.38 3i3b s GLN 678 Ca 0.01 0.09 -0.13 0.00 0.05 0.00 0.00 55.36 55.38 3i3b s GLN 678 Cb -0.04 -0.44 -0.05 0.00 1.10 0.00 0.00 33.01 33.59 3i3b s GLN 678 CO -0.01 -0.14 0.27 -0.51 -0.55 0.00 0.00 175.29 174.35 3i3b s LEU 679 N 1.00 4.21 -0.16 3.68 1.43 -1.26 -1.21 118.68 126.37 3i3b s LEU 679 Ca -0.10 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 3i3b s LEU 679 Cb -0.13 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.78 3i3b s LEU 679 CO -0.02 0.08 -0.17 -0.63 0.23 0.00 0.00 176.35 175.84 3i3b s ILE 680 N 0.65 1.79 -0.47 -0.59 1.01 0.09 -4.96 121.20 118.71 3i3b s ILE 680 Ca 0.15 -0.77 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 3i3b s ILE 680 Cb -0.13 -1.64 0.04 0.00 0.01 0.00 0.00 42.46 40.73 3i3b s ILE 680 CO 0.04 0.50 0.66 -1.61 0.00 0.00 0.00 174.94 174.52 3i3b s GLU 681 N 1.37 3.22 0.25 2.79 0.41 -1.26 -0.04 118.70 125.44 3i3b s GLU 681 Ca 0.04 -0.57 -0.30 0.00 -0.41 0.00 0.00 54.97 53.74 3i3b s GLU 681 Cb -0.13 -4.01 -0.09 0.00 -1.78 0.00 0.00 34.13 28.11 3i3b s GLU 681 CO -0.11 -1.13 1.23 -0.51 -0.49 0.00 0.00 175.26 174.25 3i3b s LEU 682 N 2.83 4.46 1.20 1.80 1.43 0.56 -5.00 118.68 125.97 3i3b s LEU 682 Ca 0.20 2.41 -0.14 0.00 -1.03 0.00 0.00 54.13 55.57 3i3b s LEU 682 Cb -0.16 -3.62 0.28 0.00 0.03 0.00 0.00 46.19 42.71 3i3b s LEU 682 CO 0.16 -0.39 0.83 -2.65 0.23 0.00 0.00 176.35 174.53 3i3b n PRO 683 N 1.71 -2.59 -2.20 1.29 -0.02 -1.26 -4.88 135.00 127.05 3i3b n PRO 683 Ca 0.02 -0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 60.35 3i3b n PRO 683 Cb 0.43 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 3i3b n PRO 683 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3i3b s GLU 684 N -4.23 4.32 -0.33 -0.52 2.12 -1.26 -4.98 118.70 113.82 3i3b s GLU 684 Ca 0.67 2.03 -0.12 0.00 0.36 0.00 0.00 54.97 57.90 3i3b s GLU 684 Cb -0.23 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 30.81 3i3b s GLU 684 CO 0.66 -0.45 0.23 -0.51 -0.54 0.00 0.00 175.26 174.64 3i3b s LEU 685 N 1.39 4.42 0.09 2.70 1.43 -1.26 -5.04 118.68 122.41 3i3b s LEU 685 Ca 0.64 -0.39 -0.34 0.00 -1.03 0.00 0.00 54.13 53.01 3i3b s LEU 685 Cb -0.35 -2.12 -0.13 0.00 0.03 0.00 0.00 46.19 43.62 3i3b s LEU 685 CO 0.29 -0.21 1.69 -0.81 0.23 0.00 0.00 176.35 177.54 3i3b n PRO 686 N 5.09 2.23 -2.06 1.29 -0.04 -1.26 -4.87 135.00 135.37 3i3b n PRO 686 Ca -0.13 0.81 -0.43 0.00 -0.04 0.00 0.00 63.50 63.71 3i3b n PRO 686 Cb 0.50 -2.61 -0.03 0.00 -0.04 0.00 0.00 33.50 31.32 3i3b n PRO 686 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3i3b s GLN 687 N 1.98 3.69 0.96 0.54 1.11 -1.26 -4.97 119.66 121.70 3i3b s GLN 687 Ca 0.83 1.64 -0.11 0.00 0.01 0.00 0.00 55.36 57.73 3i3b s GLN 687 Cb -0.66 -4.08 0.16 0.00 -1.01 0.00 0.00 33.01 27.42 3i3b s GLN 687 CO 0.42 -1.43 1.06 -0.35 0.01 0.00 0.00 175.29 175.00 3i3b n PRO 688 N 7.86 -0.75 -0.10 2.91 -0.04 -1.26 -4.98 135.00 138.64 3i3b n PRO 688 Ca 0.20 -0.16 -0.19 0.00 -0.04 0.00 0.00 63.50 63.31 3i3b n PRO 688 Cb 0.45 -2.30 -0.10 0.00 -0.04 0.00 0.00 33.50 31.51 3i3b n PRO 688 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3i3b h GLU 689 N -2.00 0.00 -6.51 0.54 4.39 -2.03 -3.48 114.58 105.50 3i3b h GLU 689 Ca -0.46 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.67 3i3b h GLU 689 Cb 1.28 0.00 0.19 0.00 -0.10 0.00 0.00 28.75 30.12 3i3b h GLU 689 CO 0.42 0.82 -0.59 0.45 -1.16 0.00 0.00 179.01 178.95 3i3b n SER 690 N -4.47 -1.80 -4.83 1.42 2.88 -1.26 -4.94 113.62 100.62 3i3b n SER 690 Ca -0.27 0.59 -0.31 0.00 -1.33 0.00 0.00 58.87 57.55 3i3b n SER 690 Cb 0.60 -1.13 0.06 0.00 -0.75 0.00 0.00 64.21 62.99 3i3b n SER 690 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i3b s ALA 691 N -1.90 2.60 0.00 -1.46 0.00 -1.26 -4.91 121.76 114.83 3i3b s ALA 691 Ca 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.52 3i3b s ALA 691 Cb -0.37 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3i3b s ALA 691 CO 0.60 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 175.45 3i3b n GLY 692 N -2.21 1.35 3.71 0.00 0.00 0.01 -4.95 105.19 103.10 3i3b n GLY 692 Ca 0.07 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.79 3i3b n GLY 692 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i3b s GLN 693 N -1.16 3.84 0.02 1.61 2.00 -1.26 -0.98 119.66 123.73 3i3b s GLN 693 Ca 0.00 -0.27 -0.18 0.00 -2.00 0.00 0.00 55.36 52.91 3i3b s GLN 693 Cb 0.00 -3.23 -0.06 0.00 0.80 0.00 0.00 33.01 30.52 3i3b s GLN 693 CO 0.00 0.42 0.52 -0.51 -0.50 0.00 0.00 175.29 175.22 3i3b s LEU 694 N -0.02 4.47 -0.08 3.68 1.43 -0.41 -2.23 118.68 125.52 3i3b s LEU 694 Ca 0.08 1.11 0.03 0.00 -1.03 0.00 0.00 54.13 54.32 3i3b s LEU 694 Cb -0.12 -2.79 0.01 0.00 0.03 0.00 0.00 46.19 43.32 3i3b s LEU 694 CO 0.00 0.23 -0.18 0.26 0.23 0.00 0.00 176.35 176.90 3i3b s TRP 695 N -0.75 1.95 -0.25 0.29 0.52 0.39 0.20 118.94 121.29 3i3b s TRP 695 Ca 0.28 -0.74 -0.08 0.00 0.02 0.00 0.00 56.10 55.57 3i3b s TRP 695 Cb -0.18 -1.35 -0.03 0.00 -1.15 0.00 0.00 33.47 30.76 3i3b s TRP 695 CO 0.16 -0.32 0.09 -1.17 0.02 0.00 0.00 176.95 175.74 3i3b s LEU 696 N 0.45 3.59 -0.07 2.99 2.96 0.29 -1.36 118.68 127.53 3i3b s LEU 696 Ca -0.15 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3i3b s LEU 696 Cb -0.16 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 3i3b s LEU 696 CO 0.06 -0.02 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.93 3i3b s THR 697 N 1.55 2.08 0.02 3.68 2.01 0.17 -1.43 115.64 123.72 3i3b s THR 697 Ca 0.06 -1.04 0.06 0.00 0.31 0.00 0.00 61.69 61.08 3i3b s THR 697 Cb -0.15 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 3i3b s THR 697 CO 0.05 0.57 -0.19 0.68 -0.69 0.00 0.00 174.62 175.04 3i3b s VAL 698 N 0.01 1.50 -0.03 3.82 -7.23 -0.21 0.35 120.40 118.61 3i3b s VAL 698 Ca -0.09 -1.01 -0.04 0.00 -1.81 0.00 0.00 61.98 59.04 3i3b s VAL 698 Cb -0.15 -1.29 0.01 0.00 0.56 0.00 0.00 36.38 35.51 3i3b s VAL 698 CO 0.06 0.26 0.10 0.00 -0.31 0.00 0.00 175.10 175.20 3i3b s ARG 699 N -0.88 0.17 -0.22 4.82 1.70 0.04 -0.70 118.95 123.88 3i3b s ARG 699 Ca 0.06 0.06 -0.15 0.00 -0.47 0.00 0.00 55.73 55.23 3i3b s ARG 699 Cb -0.08 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.34 3i3b s ARG 699 CO 0.01 -0.03 0.37 0.08 -1.08 0.00 0.00 175.30 174.65 3i3b s VAL 700 N -0.16 5.21 -0.04 4.99 1.01 1.00 -0.58 120.40 131.83 3i3b s VAL 700 Ca -0.02 0.63 0.05 0.00 0.00 0.00 0.00 61.98 62.64 3i3b s VAL 700 Cb -0.02 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3i3b s VAL 700 CO 0.00 0.24 -0.19 -0.69 0.00 0.00 0.00 175.10 174.46 3i3b s VAL 701 N 1.45 2.61 -0.52 2.92 1.01 0.15 -0.97 120.40 127.05 3i3b s VAL 701 Ca 0.17 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 3i3b s VAL 701 Cb -0.15 -1.98 0.10 0.00 0.00 0.00 0.00 36.38 34.35 3i3b s VAL 701 CO 0.08 0.58 0.50 -1.10 0.00 0.00 0.00 175.10 175.16 3i3b s GLN 702 N -0.63 3.01 0.25 2.72 -0.21 0.04 0.37 119.66 125.20 3i3b s GLN 702 Ca 0.10 -1.45 -0.03 0.00 0.02 0.00 0.00 55.36 54.00 3i3b s GLN 702 Cb -0.11 -4.22 0.43 0.00 1.00 0.00 0.00 33.01 30.12 3i3b s GLN 702 CO 0.00 -1.24 1.81 -1.35 -2.12 0.00 0.00 175.29 172.40 3i3b h PRO 703 N 8.89 0.81 -5.87 2.91 0.11 -1.88 0.77 132.00 137.74 3i3b h PRO 703 Ca -0.29 -0.05 -0.63 0.00 0.11 0.00 0.00 66.00 65.14 3i3b h PRO 703 Cb 1.10 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.98 3i3b h PRO 703 CO 0.98 0.54 -0.42 -0.80 -0.21 0.00 0.00 178.00 178.09 3i3b s ASN 704 N -5.62 6.45 0.76 -2.05 0.01 -1.26 -3.80 114.94 109.44 3i3b s ASN 704 Ca -0.12 0.50 -0.11 0.00 -0.71 0.00 0.00 52.86 52.41 3i3b s ASN 704 Cb 0.20 -2.06 0.05 0.00 0.41 0.00 0.00 41.25 39.85 3i3b s ASN 704 CO 0.79 0.26 1.10 0.00 -1.51 0.00 0.00 177.10 177.74 3i3b s ALA 705 N -1.30 2.24 0.25 0.60 0.00 -1.26 -4.53 121.76 117.77 3i3b s ALA 705 Ca 0.27 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.60 3i3b s ALA 705 Cb -0.13 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3i3b s ALA 705 CO 0.16 -1.75 0.13 0.25 0.00 0.00 0.00 175.76 174.55 3i3b n THR 706 N -3.39 0.00 0.27 0.00 -2.24 -0.38 -4.92 114.28 103.61 3i3b n THR 706 Ca 0.09 -1.58 0.17 0.00 -2.27 0.00 0.00 64.05 60.47 3i3b n THR 706 Cb 0.53 0.66 0.66 0.00 -2.10 0.00 0.00 70.33 70.07 3i3b n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3b h ALA 707 N 1.55 1.00 -0.01 6.98 0.00 -2.00 -3.20 119.26 123.58 3i3b h ALA 707 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3i3b h ALA 707 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3i3b h ALA 707 CO 0.29 0.00 -0.16 -2.67 0.00 0.00 0.00 179.25 176.71 3i3b n TRP 708 N -3.09 0.00 -3.94 0.00 4.27 -1.26 -5.05 117.44 108.37 3i3b n TRP 708 Ca 0.01 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.52 3i3b n TRP 708 Cb 0.32 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.21 3i3b n TRP 708 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 3i3b s SER 709 N -1.16 -0.04 0.45 -0.67 1.04 -1.21 -4.67 113.70 107.44 3i3b s SER 709 Ca 0.06 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.66 3i3b s SER 709 Cb 0.06 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.67 3i3b s SER 709 CO 0.20 -0.98 0.67 -1.61 0.98 0.00 0.00 173.24 172.50 3i3b s GLU 710 N -3.97 3.08 0.36 4.02 2.02 -1.26 -1.25 118.70 121.69 3i3b s GLU 710 Ca 0.18 -0.47 -0.28 0.00 0.02 0.00 0.00 54.97 54.42 3i3b s GLU 710 Cb 0.02 -2.56 -0.10 0.00 0.10 0.00 0.00 34.13 31.59 3i3b s GLU 710 CO 0.02 -0.27 1.29 0.00 0.02 0.00 0.00 175.26 176.32 3i3b s ALA 711 N -2.56 3.40 0.00 5.21 0.00 -1.26 -2.51 121.76 124.05 3i3b s ALA 711 Ca 0.48 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3i3b s ALA 711 Cb -0.10 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3i3b s ALA 711 CO 0.38 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3i3b n GLY 712 N 0.76 1.01 3.64 0.00 0.00 0.26 -4.95 105.19 105.93 3i3b n GLY 712 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.57 3i3b n GLY 712 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i3b n HIS 713 N -2.00 1.95 -3.41 1.61 -0.00 -1.04 -4.58 115.22 107.74 3i3b n HIS 713 Ca 0.00 0.47 -0.39 0.00 0.46 0.00 0.00 57.72 58.26 3i3b n HIS 713 Cb 0.00 -2.43 -0.09 0.00 -0.12 0.00 0.00 29.99 27.35 3i3b n HIS 713 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3i3b s ILE 714 N 0.18 5.19 -0.11 3.57 1.01 -1.26 -0.78 121.20 129.00 3i3b s ILE 714 Ca 0.73 0.54 0.22 0.00 0.00 0.00 0.00 60.65 62.14 3i3b s ILE 714 Cb -0.73 -3.68 -0.32 0.00 0.01 0.00 0.00 42.46 37.74 3i3b s ILE 714 CO 0.47 0.18 0.53 -1.54 0.00 0.00 0.00 174.94 174.58 3i3b n SER 715 N 5.21 0.10 -3.48 3.58 3.41 -0.15 -5.01 113.62 117.27 3i3b n SER 715 Ca -0.09 -0.07 -0.10 0.00 -0.26 0.00 0.00 58.87 58.35 3i3b n SER 715 Cb 0.51 1.89 -0.02 0.00 -0.26 0.00 0.00 64.21 66.32 3i3b n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3b s ALA 716 N -3.48 -1.77 0.24 7.33 0.00 -1.24 -4.70 121.76 118.15 3i3b s ALA 716 Ca -0.07 0.90 -0.21 0.00 0.00 0.00 0.00 51.96 52.59 3i3b s ALA 716 Cb 0.14 0.49 0.03 0.00 0.00 0.00 0.00 23.12 23.79 3i3b s ALA 716 CO 0.90 -0.69 0.67 1.67 0.00 0.00 0.00 175.76 178.31 3i3b s TRP 717 N -3.18 -0.25 -0.23 0.00 -2.14 -1.26 -0.00 118.94 111.89 3i3b s TRP 717 Ca 0.03 -0.14 -0.27 0.00 2.66 0.00 0.00 56.10 58.38 3i3b s TRP 717 Cb -0.01 0.63 0.13 0.00 -3.10 0.00 0.00 33.47 31.11 3i3b s TRP 717 CO -0.09 -1.11 1.02 -1.14 -2.66 0.00 0.00 176.95 172.97 3i3b s GLN 718 N -3.88 0.54 0.23 3.25 2.00 0.12 -4.97 119.66 116.95 3i3b s GLN 718 Ca 0.09 0.38 0.11 0.00 -2.00 0.00 0.00 55.36 53.94 3i3b s GLN 718 Cb -0.04 0.26 -0.05 0.00 0.80 0.00 0.00 33.01 33.98 3i3b s GLN 718 CO 0.01 -0.12 -0.22 -0.65 -0.50 0.00 0.00 175.29 173.82 3i3b s GLN 719 N -0.39 1.58 -0.14 1.67 -0.21 -1.26 -1.05 119.66 119.85 3i3b s GLN 719 Ca 0.01 -1.63 -0.14 0.00 0.02 0.00 0.00 55.36 53.61 3i3b s GLN 719 Cb -0.03 -1.77 0.04 0.00 1.00 0.00 0.00 33.01 32.25 3i3b s GLN 719 CO -0.03 0.36 0.40 -1.58 -2.12 0.00 0.00 175.29 172.32 3i3b s TRP 720 N -2.10 -0.43 0.14 0.91 0.51 -0.51 -5.00 118.94 112.46 3i3b s TRP 720 Ca 0.25 1.04 -0.29 0.00 -2.12 0.00 0.00 56.10 54.98 3i3b s TRP 720 Cb -0.06 0.15 -0.07 0.00 -0.81 0.00 0.00 33.47 32.68 3i3b s TRP 720 CO 0.12 -0.23 0.93 1.03 -0.51 0.00 0.00 176.95 178.29 3i3b s ARG 721 N 0.12 4.72 0.00 4.98 0.52 -1.26 -0.55 118.95 127.48 3i3b s ARG 721 Ca -0.01 1.42 0.00 0.00 -0.52 0.00 0.00 55.73 56.62 3i3b s ARG 721 Cb -0.03 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 32.10 3i3b s ARG 721 CO 0.01 0.32 0.00 1.28 0.02 0.00 0.00 175.30 176.93 3i3b n LEU 722 N 2.36 0.00 -4.77 2.53 4.77 0.13 -4.89 117.00 117.13 3i3b n LEU 722 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.63 3i3b n LEU 722 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3i3b n LEU 722 CO 0.50 0.00 0.80 0.00 -1.33 0.00 0.00 177.39 177.36 3i3b s ALA 723 N -2.90 2.75 -0.04 -1.18 0.00 -1.26 -4.64 121.76 114.50 3i3b s ALA 723 Ca 0.00 0.88 0.04 0.00 0.00 0.00 0.00 51.96 52.88 3i3b s ALA 723 Cb 0.00 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.74 3i3b s ALA 723 CO 0.00 -0.78 -0.15 -2.00 0.00 0.00 0.00 175.76 172.83 3i3b s GLU 724 N -3.14 1.56 -0.36 0.00 2.12 -1.26 -1.28 118.70 116.33 3i3b s GLU 724 Ca 0.71 -0.53 0.02 0.00 0.36 0.00 0.00 54.97 55.53 3i3b s GLU 724 Cb -0.26 -1.38 0.10 0.00 0.26 0.00 0.00 34.13 32.86 3i3b s GLU 724 CO 0.30 0.21 0.10 -0.80 -0.54 0.00 0.00 175.26 174.53 3i3b s ASN 725 N 0.06 4.91 0.37 -1.70 0.01 -0.15 -4.97 114.94 113.46 3i3b s ASN 725 Ca -0.03 -2.14 -0.28 0.00 -0.71 0.00 0.00 52.86 49.70 3i3b s ASN 725 Cb -0.11 -1.69 -0.11 0.00 0.41 0.00 0.00 41.25 39.76 3i3b s ASN 725 CO 0.02 -0.43 1.49 -0.76 -1.51 0.00 0.00 177.10 175.91 3i3b s LEU 726 N 0.95 4.32 -0.10 0.60 1.43 -1.26 -0.81 118.68 123.81 3i3b s LEU 726 Ca 0.10 3.03 -0.30 0.00 -1.03 0.00 0.00 54.13 55.94 3i3b s LEU 726 Cb -0.20 -3.67 -0.01 0.00 0.03 0.00 0.00 46.19 42.34 3i3b s LEU 726 CO -0.07 -0.87 1.02 -0.55 0.23 0.00 0.00 176.35 176.12 3i3b s SER 727 N -0.10 7.23 0.00 2.29 0.15 -1.26 -4.88 113.70 117.13 3i3b s SER 727 Ca 0.53 1.56 0.06 0.00 0.70 0.00 0.00 55.95 58.81 3i3b s SER 727 Cb -0.46 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.32 3i3b s SER 727 CO 0.62 -0.45 0.63 1.33 1.20 0.00 0.00 173.24 176.56 3i3b n VAL 728 N 4.53 0.00 -3.03 4.45 0.24 -1.26 -4.99 118.33 118.26 3i3b n VAL 728 Ca 0.09 -0.48 -0.40 0.00 -2.04 0.00 0.00 64.34 61.51 3i3b n VAL 728 Cb 0.49 1.11 -0.05 0.00 -1.47 0.00 0.00 33.84 33.92 3i3b n VAL 728 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i3b s THR 729 N -0.69 5.02 0.49 3.34 -4.23 -1.26 -5.05 115.64 113.26 3i3b s THR 729 Ca 0.07 1.43 -0.20 0.00 -1.18 0.00 0.00 61.69 61.81 3i3b s THR 729 Cb 0.05 -4.04 -0.08 0.00 1.34 0.00 0.00 72.50 69.77 3i3b s THR 729 CO 0.10 0.20 1.05 -0.76 -0.54 0.00 0.00 174.62 174.67 3i3b s LEU 730 N 1.17 3.84 0.61 4.79 1.02 -1.26 -5.02 118.68 123.82 3i3b s LEU 730 Ca 0.36 1.95 -0.17 0.00 0.02 0.00 0.00 54.13 56.29 3i3b s LEU 730 Cb -0.17 -4.56 -0.02 0.00 0.02 0.00 0.00 46.19 41.45 3i3b s LEU 730 CO 0.16 -0.82 1.13 -2.16 0.02 0.00 0.00 176.35 174.68 3i3b s PRO 731 N -3.24 3.01 0.33 1.29 0.04 -1.26 -4.94 135.00 130.22 3i3b s PRO 731 Ca 0.68 1.53 -0.26 0.00 0.04 0.00 0.00 61.00 62.98 3i3b s PRO 731 Cb -0.17 -1.97 -0.13 0.00 0.04 0.00 0.00 34.50 32.27 3i3b s PRO 731 CO 0.21 -1.11 0.89 0.00 0.04 0.00 0.00 177.00 177.03 3i3b n ALA 732 N -1.91 -0.58 -2.05 8.56 0.00 -1.26 -4.88 120.51 118.38 3i3b n ALA 732 Ca 0.11 0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 3i3b n ALA 732 Cb 0.51 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 3i3b n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3b s ALA 733 N -1.16 3.54 -0.16 0.00 0.00 -1.26 -4.99 121.76 117.73 3i3b s ALA 733 Ca 0.61 1.11 -0.26 0.00 0.00 0.00 0.00 51.96 53.42 3i3b s ALA 733 Cb -0.68 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 18.93 3i3b s ALA 733 CO 0.59 -0.56 0.85 -1.12 0.00 0.00 0.00 175.76 175.52 3i3b s SER 734 N 0.55 6.99 -0.09 0.00 0.01 -1.26 -4.96 113.70 114.94 3i3b s SER 734 Ca 0.59 1.21 -0.17 0.00 1.31 0.00 0.00 55.95 58.89 3i3b s SER 734 Cb -0.37 -2.46 -0.14 0.00 0.21 0.00 0.00 66.02 63.27 3i3b s SER 734 CO 0.36 -0.40 0.60 0.45 0.41 0.00 0.00 173.24 174.66 3i3b h HIS 735 N 7.30 -0.11 -4.24 2.43 3.86 -1.94 -3.46 115.15 118.98 3i3b h HIS 735 Ca -0.30 -0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.39 3i3b h HIS 735 Cb 1.13 0.04 0.18 0.00 1.06 0.00 0.00 27.41 29.82 3i3b h HIS 735 CO 0.72 0.33 0.29 0.00 0.86 0.00 0.00 177.93 180.12 3i3b s ALA 736 N -3.04 1.72 -0.07 2.45 0.00 -1.26 -5.04 121.76 116.52 3i3b s ALA 736 Ca -0.11 0.68 -0.00 0.00 0.00 0.00 0.00 51.96 52.54 3i3b s ALA 736 Cb -0.01 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.69 3i3b s ALA 736 CO 0.39 -2.44 -0.04 0.42 0.00 0.00 0.00 175.76 174.09 3i3b s ILE 737 N -2.44 0.62 0.43 0.00 1.01 -1.26 -4.05 121.20 115.50 3i3b s ILE 737 Ca 0.69 -0.09 -0.26 0.00 0.00 0.00 0.00 60.65 60.99 3i3b s ILE 737 Cb -0.25 -0.68 -0.08 0.00 0.01 0.00 0.00 42.46 41.45 3i3b s ILE 737 CO 0.54 0.28 1.34 -2.84 0.00 0.00 0.00 174.94 174.25 3i3b s PRO 738 N 1.44 3.85 0.04 2.79 0.02 -1.26 -4.94 135.00 136.94 3i3b s PRO 738 Ca -0.02 2.23 0.03 0.00 0.02 0.00 0.00 61.00 63.25 3i3b s PRO 738 Cb -0.13 -2.70 -0.04 0.00 0.02 0.00 0.00 34.50 31.65 3i3b s PRO 738 CO -0.03 -0.62 0.01 -1.01 -0.33 0.00 0.00 177.00 175.02 3i3b s HIS 739 N -1.25 3.05 -0.12 6.54 3.76 -0.51 -4.74 115.29 122.02 3i3b s HIS 739 Ca 0.59 0.04 -0.03 0.00 -0.15 0.00 0.00 55.06 55.51 3i3b s HIS 739 Cb -0.39 -1.61 -0.03 0.00 1.11 0.00 0.00 32.58 31.65 3i3b s HIS 739 CO 0.51 0.47 -0.01 -1.17 -0.85 0.00 0.00 174.74 173.69 3i3b s LEU 740 N -1.93 3.48 -0.17 0.89 2.96 -1.26 -1.49 118.68 121.17 3i3b s LEU 740 Ca 0.23 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 3i3b s LEU 740 Cb -0.12 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.77 3i3b s LEU 740 CO 0.14 0.29 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.37 3i3b s THR 741 N -0.35 2.03 0.12 3.68 2.01 0.90 -4.99 115.64 119.05 3i3b s THR 741 Ca 0.07 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.18 3i3b s THR 741 Cb -0.12 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 3i3b s THR 741 CO 0.02 0.54 0.05 -0.89 -0.69 0.00 0.00 174.62 173.65 3i3b s THR 742 N 1.18 4.19 0.15 -0.82 2.01 -1.26 -0.88 115.64 120.22 3i3b s THR 742 Ca 0.02 -1.05 -0.20 0.00 0.31 0.00 0.00 61.69 60.78 3i3b s THR 742 Cb -0.14 -3.06 0.05 0.00 0.01 0.00 0.00 72.50 69.36 3i3b s THR 742 CO -0.10 0.02 0.52 -0.94 -0.69 0.00 0.00 174.62 173.43 3i3b s SER 743 N -2.65 -0.40 0.53 3.53 1.04 -0.83 -5.00 113.70 109.92 3i3b s SER 743 Ca 0.28 -0.19 0.22 0.00 0.48 0.00 0.00 55.95 56.74 3i3b s SER 743 Cb -0.11 0.55 1.39 0.00 0.10 0.00 0.00 66.02 67.95 3i3b s SER 743 CO 0.20 -0.95 2.08 -0.08 0.98 0.00 0.00 173.24 175.48 3i3b h GLU 744 N 2.16 0.00 0.00 4.02 4.81 -2.03 -2.88 114.58 120.66 3i3b h GLU 744 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3i3b h GLU 744 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3i3b h GLU 744 CO 0.41 0.00 -1.27 -0.12 -0.73 0.00 0.00 179.01 177.30 3i3b n MET 745 N -4.36 0.34 -3.67 1.92 1.56 -1.26 -4.73 117.12 106.91 3i3b n MET 745 Ca 0.03 -0.05 -0.11 0.00 -0.27 0.00 0.00 57.70 57.31 3i3b n MET 745 Cb 0.35 -1.57 -0.05 0.00 2.15 0.00 0.00 33.22 34.10 3i3b n MET 745 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3i3b s ASP 746 N -3.95 -0.19 -0.32 6.12 1.01 -1.09 -0.70 116.67 117.56 3i3b s ASP 746 Ca 0.01 -0.28 0.03 0.00 0.71 0.00 0.00 52.55 53.03 3i3b s ASP 746 Cb 0.14 0.44 0.09 0.00 1.01 0.00 0.00 42.92 44.60 3i3b s ASP 746 CO 0.84 -0.78 0.02 -0.36 0.21 0.00 0.00 175.17 175.11 3i3b s PHE 747 N -3.43 3.35 -0.16 4.23 0.08 -0.16 -1.97 117.98 119.93 3i3b s PHE 747 Ca 0.01 -2.66 -0.06 0.00 0.12 0.00 0.00 56.93 54.33 3i3b s PHE 747 Cb 0.01 -2.53 -0.04 0.00 -0.57 0.00 0.00 43.02 39.89 3i3b s PHE 747 CO -0.09 -0.92 0.05 0.00 -0.10 0.00 0.00 175.22 174.16 3i3b s ILE 749 N -0.00 3.02 -0.01 0.00 1.09 0.32 -0.07 121.20 125.55 3i3b s ILE 749 Ca 0.05 -0.71 0.03 0.00 -1.10 0.00 0.00 60.65 58.92 3i3b s ILE 749 Cb -0.12 -2.21 -0.01 0.00 -1.06 0.00 0.00 42.46 39.06 3i3b s ILE 749 CO 0.01 0.57 -0.11 -0.70 -0.10 0.00 0.00 174.94 174.61 3i3b s GLU 750 N -0.32 0.90 -0.19 2.79 2.12 -0.55 -0.27 118.70 123.18 3i3b s GLU 750 Ca 0.03 -0.39 -0.04 0.00 0.36 0.00 0.00 54.97 54.93 3i3b s GLU 750 Cb -0.13 -0.87 0.10 0.00 0.26 0.00 0.00 34.13 33.49 3i3b s GLU 750 CO 0.02 0.23 0.27 -1.17 -0.54 0.00 0.00 175.26 174.07 3i3b s LEU 751 N -0.22 -0.29 0.00 2.70 2.96 -0.58 -1.43 118.68 121.83 3i3b s LEU 751 Ca 0.04 0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3i3b s LEU 751 Cb -0.05 0.65 0.00 0.00 0.50 0.00 0.00 46.19 47.29 3i3b s LEU 751 CO -0.00 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.34 3i3b n GLY 752 N 5.34 4.01 1.49 7.98 0.00 -1.26 -0.95 105.19 121.79 3i3b n GLY 752 Ca -0.05 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3i3b n GLY 752 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i3b n ASN 753 N 7.05 4.40 -4.57 1.61 6.94 -1.26 -4.91 115.26 124.51 3i3b n ASN 753 Ca 0.00 -2.47 -0.33 0.00 -0.02 0.00 0.00 54.58 51.76 3i3b n ASN 753 Cb 0.00 -0.57 -0.11 0.00 -2.36 0.00 0.00 39.78 36.74 3i3b n ASN 753 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3i3b s LYS 754 N -1.96 2.62 -0.00 -3.83 1.02 -0.12 0.12 119.74 117.59 3i3b s LYS 754 Ca 0.45 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.79 3i3b s LYS 754 Cb 0.30 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 3i3b s LYS 754 CO 0.20 0.63 -0.00 1.03 -0.92 0.00 0.00 175.35 176.28 3i3b s ARG 755 N -1.08 0.06 -0.04 1.68 0.52 -0.05 -1.52 118.95 118.51 3i3b s ARG 755 Ca 0.14 -0.01 0.05 0.00 -0.52 0.00 0.00 55.73 55.40 3i3b s ARG 755 Cb -0.11 -0.09 -0.01 0.00 0.52 0.00 0.00 34.95 35.26 3i3b s ARG 755 CO 0.04 -0.00 -0.21 -1.58 0.02 0.00 0.00 175.30 173.57 3i3b s TRP 756 N 0.10 2.00 -0.14 -0.53 0.51 0.63 -0.02 118.94 121.49 3i3b s TRP 756 Ca -0.01 -0.54 0.00 0.00 -2.12 0.00 0.00 56.10 53.43 3i3b s TRP 756 Cb -0.02 -1.32 0.02 0.00 -0.81 0.00 0.00 33.47 31.35 3i3b s TRP 756 CO -0.00 -0.16 -0.12 -1.14 -0.51 0.00 0.00 176.95 175.02 3i3b s GLN 757 N -0.14 2.09 -0.21 4.98 0.74 0.25 -0.52 119.66 126.86 3i3b s GLN 757 Ca -0.01 -0.48 -0.05 0.00 0.05 0.00 0.00 55.36 54.86 3i3b s GLN 757 Cb -0.12 -1.98 -0.02 0.00 1.10 0.00 0.00 33.01 31.99 3i3b s GLN 757 CO 0.02 -0.25 -0.01 -0.06 -0.55 0.00 0.00 175.29 174.45 3i3b s PHE 758 N 1.54 3.02 -0.18 1.67 0.40 -0.63 -0.78 117.98 123.02 3i3b s PHE 758 Ca 0.05 -0.55 -0.29 0.00 -0.60 0.00 0.00 56.93 55.53 3i3b s PHE 758 Cb -0.13 -2.09 -0.00 0.00 0.51 0.00 0.00 43.02 41.30 3i3b s PHE 758 CO -0.10 -0.31 1.13 1.21 0.70 0.00 0.00 175.22 177.85 3i3b s ASN 759 N 1.13 7.06 0.11 1.36 3.84 -0.20 -0.99 114.94 127.24 3i3b s ASN 759 Ca 0.02 1.54 0.22 0.00 0.21 0.00 0.00 52.86 54.86 3i3b s ASN 759 Cb -0.14 -2.54 0.89 0.00 -0.55 0.00 0.00 41.25 38.91 3i3b s ASN 759 CO 0.01 -0.67 1.70 0.54 -2.79 0.00 0.00 177.10 175.88 3i3b n ARG 760 N 6.19 0.10 0.00 0.43 1.74 0.13 0.43 116.66 125.68 3i3b n ARG 760 Ca 0.12 0.23 -0.17 0.00 -0.77 0.00 0.00 57.85 57.26 3i3b n ARG 760 Cb 0.46 -1.66 -0.14 0.00 -1.02 0.00 0.00 32.46 30.10 3i3b n ARG 760 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3i3b h GLN 761 N 0.00 0.19 0.00 5.56 4.15 -1.87 -3.39 115.11 119.75 3i3b h GLN 761 Ca 0.00 -0.32 -0.20 0.00 0.77 0.00 0.00 58.65 58.90 3i3b h GLN 761 Cb 0.43 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.20 3i3b h GLN 761 CO 0.00 0.99 -1.97 -1.13 -1.93 0.00 0.00 178.83 174.79 3i3b n SER 762 N -3.35 0.27 -0.01 -0.69 3.41 -1.19 -4.73 113.62 107.34 3i3b n SER 762 Ca -0.26 0.12 -0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3i3b n SER 762 Cb 1.05 1.02 -0.00 0.00 -0.26 0.00 0.00 64.21 66.02 3i3b n SER 762 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i3b n GLY 763 N 1.50 0.45 3.59 5.00 0.00 0.17 -4.75 105.19 111.15 3i3b n GLY 763 Ca -0.17 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 3i3b n GLY 763 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i3b s PHE 764 N -2.00 2.59 -0.46 1.61 0.08 -1.22 -4.89 117.98 113.69 3i3b s PHE 764 Ca 0.00 -0.25 -0.29 0.00 0.12 0.00 0.00 56.93 56.51 3i3b s PHE 764 Cb 0.00 -1.16 0.02 0.00 -0.57 0.00 0.00 43.02 41.31 3i3b s PHE 764 CO 0.00 0.63 1.30 -1.17 -0.10 0.00 0.00 175.22 175.88 3i3b s LEU 765 N -3.53 3.58 0.01 -0.37 2.96 -1.26 -1.04 118.68 119.04 3i3b s LEU 765 Ca 0.30 0.61 0.22 0.00 -0.22 0.00 0.00 54.13 55.05 3i3b s LEU 765 Cb -0.06 -3.50 -0.01 0.00 0.50 0.00 0.00 46.19 43.12 3i3b s LEU 765 CO 0.18 -1.39 1.01 -1.54 -1.32 0.00 0.00 176.35 173.29 3i3b n SER 766 N 8.49 0.71 -3.52 3.68 3.41 0.04 -1.62 113.62 124.81 3i3b n SER 766 Ca 0.14 -0.54 -0.10 0.00 -0.26 0.00 0.00 58.87 58.11 3i3b n SER 766 Cb 0.49 0.87 -0.03 0.00 -0.26 0.00 0.00 64.21 65.27 3i3b n SER 766 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3i3b s GLN 767 N -3.10 0.81 -0.05 4.33 2.00 -1.15 -4.48 119.66 118.01 3i3b s GLN 767 Ca 0.06 -0.15 -0.08 0.00 -2.00 0.00 0.00 55.36 53.19 3i3b s GLN 767 Cb 0.16 0.38 0.02 0.00 0.80 0.00 0.00 33.01 34.36 3i3b s GLN 767 CO 0.82 -0.32 0.19 -1.64 -0.50 0.00 0.00 175.29 173.84 3i3b s MET 768 N -2.48 0.34 0.02 1.67 -1.94 -1.26 -0.58 119.30 115.06 3i3b s MET 768 Ca 0.02 0.06 0.05 0.00 -1.71 0.00 0.00 55.69 54.11 3i3b s MET 768 Cb -0.01 0.15 -0.02 0.00 2.01 0.00 0.00 34.83 36.97 3i3b s MET 768 CO -0.05 -0.06 -0.15 -1.58 -0.01 0.00 0.00 175.02 173.17 3i3b s TRP 769 N -0.40 1.32 -0.35 -0.03 0.51 0.98 -0.93 118.94 120.03 3i3b s TRP 769 Ca -0.05 -0.31 0.02 0.00 -2.12 0.00 0.00 56.10 53.64 3i3b s TRP 769 Cb -0.03 -0.81 0.11 0.00 -0.81 0.00 0.00 33.47 31.93 3i3b s TRP 769 CO 0.01 0.02 0.11 0.42 -0.51 0.00 0.00 176.95 177.00 3i3b s ILE 770 N -0.65 1.63 0.00 2.03 1.01 -1.07 -0.87 121.20 123.29 3i3b s ILE 770 Ca 0.04 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 58.61 3i3b s ILE 770 Cb -0.07 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.20 3i3b s ILE 770 CO 0.01 -0.68 0.00 0.61 0.00 0.00 0.00 174.94 174.87 3i3b n GLY 771 N 4.31 1.06 0.68 6.18 0.00 0.34 -2.84 105.19 114.92 3i3b n GLY 771 Ca 0.02 -0.62 0.07 0.00 0.00 0.00 0.00 46.02 45.50 3i3b n GLY 771 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i3b n ASP 772 N 7.69 2.63 -4.67 1.61 9.92 -1.26 -4.90 116.55 127.57 3i3b n ASP 772 Ca 0.00 -1.77 -0.40 0.00 -0.53 0.00 0.00 54.79 52.09 3i3b n ASP 772 Cb 0.00 -0.13 -0.06 0.00 -0.64 0.00 0.00 41.12 40.29 3i3b n ASP 772 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3i3b s LYS 773 N -1.11 4.24 0.37 -1.24 2.47 -1.13 -5.05 119.74 118.29 3i3b s LYS 773 Ca 0.22 0.57 -0.27 0.00 -1.56 0.00 0.00 55.97 54.94 3i3b s LYS 773 Cb 0.13 -3.55 -0.09 0.00 -1.46 0.00 0.00 37.83 32.86 3i3b s LYS 773 CO 0.19 -0.16 1.27 -1.59 0.16 0.00 0.00 175.35 175.22 3i3b s LYS 774 N 1.65 4.16 -0.08 4.03 -2.85 -1.26 -2.59 119.74 122.80 3i3b s LYS 774 Ca 0.28 2.12 0.13 0.00 -1.00 0.00 0.00 55.97 57.50 3i3b s LYS 774 Cb -0.16 -2.89 -0.20 0.00 -2.06 0.00 0.00 37.83 32.53 3i3b s LYS 774 CO 0.11 -0.31 0.18 1.04 0.10 0.00 0.00 175.35 176.46 3i3b n GLN 775 N 0.43 1.12 -4.38 1.78 1.13 -0.10 -4.77 117.38 112.60 3i3b n GLN 775 Ca 0.02 -0.07 -0.30 0.00 -1.94 0.00 0.00 57.00 54.71 3i3b n GLN 775 Cb 0.43 -1.35 -0.11 0.00 0.11 0.00 0.00 30.24 29.32 3i3b n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3i3b s LEU 776 N -4.50 2.75 -0.01 1.08 1.43 -1.26 -0.84 118.68 117.33 3i3b s LEU 776 Ca -0.06 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 3i3b s LEU 776 Cb 0.07 -1.60 -0.09 0.00 0.03 0.00 0.00 46.19 44.60 3i3b s LEU 776 CO 0.58 0.20 0.18 0.18 0.23 0.00 0.00 176.35 177.71 3i3b n LEU 777 N 0.97 0.08 -3.72 1.79 4.77 0.17 -4.69 117.00 116.37 3i3b n LEU 777 Ca -0.15 -0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 55.57 3i3b n LEU 777 Cb 0.52 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 3i3b n LEU 777 CO 0.29 0.02 -0.07 -0.89 -1.33 0.00 0.00 177.39 175.41 3i3b s THR 778 N -2.20 -0.03 0.51 -5.08 2.01 -1.10 -4.93 115.64 104.81 3i3b s THR 778 Ca -0.01 0.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.92 3i3b s THR 778 Cb 0.04 -0.44 -0.10 0.00 0.01 0.00 0.00 72.50 72.01 3i3b s THR 778 CO 0.26 0.05 0.53 -2.65 -0.69 0.00 0.00 174.62 172.13 3i3b n PRO 779 N 4.19 0.56 -2.52 4.92 -0.02 -1.26 -3.03 135.00 137.84 3i3b n PRO 779 Ca -0.24 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.03 3i3b n PRO 779 Cb 0.54 -1.64 -0.02 0.00 -0.02 0.00 0.00 33.50 32.36 3i3b n PRO 779 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i3b s LEU 780 N 1.15 3.42 0.21 2.45 2.96 -0.64 -4.47 118.68 123.76 3i3b s LEU 780 Ca 0.66 0.13 0.07 0.00 -0.22 0.00 0.00 54.13 54.77 3i3b s LEU 780 Cb -0.50 -3.09 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 3i3b s LEU 780 CO 0.56 -1.57 -0.13 -0.13 -1.32 0.00 0.00 176.35 173.76 3i3b s ARG 781 N 5.18 1.35 0.64 1.98 0.52 -0.71 -4.14 118.95 123.77 3i3b s ARG 781 Ca 0.45 -1.62 -0.17 0.00 -0.52 0.00 0.00 55.73 53.88 3i3b s ARG 781 Cb -0.08 -1.10 -0.01 0.00 0.52 0.00 0.00 34.95 34.28 3i3b s ARG 781 CO 0.25 0.15 1.16 -0.51 0.02 0.00 0.00 175.30 176.37 3i3b s ASP 782 N -3.33 5.01 -0.03 0.23 1.11 -1.26 -1.01 116.67 117.39 3i3b s ASP 782 Ca 0.23 2.21 -0.01 0.00 0.18 0.00 0.00 52.55 55.17 3i3b s ASP 782 Cb 0.00 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.44 3i3b s ASP 782 CO 0.07 -1.70 0.06 -1.58 1.18 0.00 0.00 175.17 173.20 3i3b s GLN 783 N -3.72 0.01 0.00 8.23 0.74 -0.19 -4.78 119.66 119.95 3i3b s GLN 783 Ca 0.72 0.22 0.00 0.00 0.05 0.00 0.00 55.36 56.35 3i3b s GLN 783 Cb -0.26 -0.19 0.00 0.00 1.10 0.00 0.00 33.01 33.66 3i3b s GLN 783 CO 0.38 -0.15 0.57 1.19 -0.55 0.00 0.00 175.29 176.73 3i3b n PHE 784 N 4.04 0.00 -4.56 1.67 3.72 -1.26 -2.45 117.46 118.63 3i3b n PHE 784 Ca -0.25 -0.09 -0.26 0.00 -0.05 0.00 0.00 57.45 56.80 3i3b n PHE 784 Cb 0.52 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.94 3i3b n PHE 784 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3i3b s THR 785 N -0.17 1.94 0.02 4.37 -4.23 -1.26 -2.61 115.64 113.70 3i3b s THR 785 Ca 0.00 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.39 3i3b s THR 785 Cb 0.00 -2.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.02 3i3b s THR 785 CO 0.00 -0.09 0.07 0.00 -0.54 0.00 0.00 174.62 174.06 3i3b s ARG 786 N -3.70 0.49 -0.07 3.99 1.70 -1.26 -4.76 118.95 115.33 3i3b s ARG 786 Ca 0.34 -0.63 -0.29 0.00 -0.47 0.00 0.00 55.73 54.68 3i3b s ARG 786 Cb 0.07 0.19 -0.06 0.00 -0.57 0.00 0.00 34.95 34.58 3i3b s ARG 786 CO 0.17 -0.11 1.88 0.00 -1.08 0.00 0.00 175.30 176.15 3i3b s ALA 787 N -1.99 3.39 -0.08 7.88 0.00 -1.26 -4.85 121.76 124.85 3i3b s ALA 787 Ca -0.10 0.99 -0.39 0.00 0.00 0.00 0.00 51.96 52.46 3i3b s ALA 787 Cb -0.05 -3.86 -0.17 0.00 0.00 0.00 0.00 23.12 19.04 3i3b s ALA 787 CO -0.02 -1.81 1.47 -0.35 0.00 0.00 0.00 175.76 175.05 3i3b n PRO 788 N 7.68 0.98 -2.03 0.00 -0.04 -1.26 -1.18 135.00 139.15 3i3b n PRO 788 Ca 0.21 0.36 -0.29 0.00 -0.04 0.00 0.00 63.50 63.74 3i3b n PRO 788 Cb 0.43 -1.99 0.05 0.00 -0.04 0.00 0.00 33.50 31.95 3i3b n PRO 788 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i3b s LEU 789 N 1.65 2.89 0.32 1.53 1.43 -1.26 -4.62 118.68 120.61 3i3b s LEU 789 Ca 0.91 0.92 0.05 0.00 -1.03 0.00 0.00 54.13 54.97 3i3b s LEU 789 Cb -1.06 -3.65 0.67 0.00 0.03 0.00 0.00 46.19 42.18 3i3b s LEU 789 CO 0.56 -1.41 1.86 0.44 0.23 0.00 0.00 176.35 178.04 3i3b h ASP 790 N -0.62 0.81 0.91 2.29 5.19 -1.87 0.33 116.42 123.45 3i3b h ASP 790 Ca -0.45 0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 55.93 3i3b h ASP 790 Cb 1.27 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 3i3b h ASP 790 CO 0.63 0.43 -0.33 0.78 -3.12 0.00 0.00 179.24 177.64 3i3b h ASN 791 N 0.87 0.00 0.22 6.45 2.35 -1.85 -1.07 115.58 122.55 3i3b h ASN 791 Ca 0.46 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.98 3i3b h ASN 791 Cb 0.55 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.93 3i3b h ASN 791 CO -0.23 0.33 -0.96 0.44 -1.65 0.00 0.00 177.43 175.36 3i3b h ASP 792 N 0.00 0.66 -0.25 5.81 3.32 -1.29 -3.26 116.42 121.40 3i3b h ASP 792 Ca -0.00 -0.52 -0.15 0.00 0.02 0.00 0.00 57.03 56.38 3i3b h ASP 792 Cb 0.87 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 3i3b h ASP 792 CO 0.04 1.32 -0.43 0.40 -1.72 0.00 0.00 179.24 178.85 3i3b h ILE 793 N 0.29 1.30 -6.10 0.35 2.04 -1.15 -1.49 117.51 112.76 3i3b h ILE 793 Ca -0.09 -1.63 -0.41 0.00 1.00 0.00 0.00 64.86 63.73 3i3b h ILE 793 Cb 1.60 1.71 0.07 0.00 -0.74 0.00 0.00 36.82 39.47 3i3b h ILE 793 CO 0.17 0.52 -0.88 0.61 0.00 0.00 0.00 178.15 178.58 3i3b n GLY 794 N 0.34 -0.62 2.93 5.37 0.00 -0.42 -4.83 105.19 107.97 3i3b n GLY 794 Ca -0.05 0.29 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 3i3b n GLY 794 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i3b s VAL 795 N -3.60 0.98 -0.82 1.61 -7.23 -1.13 -4.38 120.40 105.82 3i3b s VAL 795 Ca 0.21 -0.31 0.23 0.00 -1.81 0.00 0.00 61.98 60.30 3i3b s VAL 795 Cb -0.06 -0.97 -0.13 0.00 0.56 0.00 0.00 36.38 35.77 3i3b s VAL 795 CO 0.83 0.35 1.06 -1.54 -0.31 0.00 0.00 175.10 175.48 3i3b n SER 796 N 4.54 0.69 -3.87 4.85 3.41 -1.26 -4.84 113.62 117.14 3i3b n SER 796 Ca -0.16 -0.48 -0.19 0.00 -0.26 0.00 0.00 58.87 57.77 3i3b n SER 796 Cb 0.51 0.78 -0.16 0.00 -0.26 0.00 0.00 64.21 65.07 3i3b n SER 796 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3i3b s GLU 797 N -3.09 0.65 0.43 4.33 2.02 -1.26 -4.84 118.70 116.94 3i3b s GLU 797 Ca 0.07 -0.05 0.29 0.00 0.02 0.00 0.00 54.97 55.30 3i3b s GLU 797 Cb 0.16 -0.71 1.54 0.00 0.10 0.00 0.00 34.13 35.22 3i3b s GLU 797 CO 0.80 -0.09 1.90 0.00 0.02 0.00 0.00 175.26 177.90 3i3b h ALA 798 N 7.14 1.00 -0.19 5.21 0.00 -1.82 -2.38 119.26 128.22 3i3b h ALA 798 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3i3b h ALA 798 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3i3b h ALA 798 CO 0.48 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.98 3i3b n THR 799 N -2.55 0.24 -3.98 0.00 -2.24 -1.26 -4.87 114.28 99.62 3i3b n THR 799 Ca -0.01 -0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 60.93 3i3b n THR 799 Cb 0.08 0.79 -0.15 0.00 -2.10 0.00 0.00 70.33 68.96 3i3b n THR 799 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i3b s ARG 800 N -1.76 3.04 -0.39 -0.78 0.52 -0.90 -5.07 118.95 113.61 3i3b s ARG 800 Ca 0.34 -0.83 -0.11 0.00 -0.52 0.00 0.00 55.73 54.61 3i3b s ARG 800 Cb 0.20 -2.90 0.04 0.00 0.52 0.00 0.00 34.95 32.81 3i3b s ARG 800 CO 0.30 -0.29 0.24 0.42 0.02 0.00 0.00 175.30 175.98 3i3b s ILE 801 N 1.37 4.61 -0.36 1.52 1.09 -1.26 -4.87 121.20 123.30 3i3b s ILE 801 Ca 0.03 -0.96 -0.18 0.00 -1.10 0.00 0.00 60.65 58.44 3i3b s ILE 801 Cb -0.15 -3.63 -0.00 0.00 -1.06 0.00 0.00 42.46 37.62 3i3b s ILE 801 CO -0.06 -0.32 0.48 -0.62 -0.10 0.00 0.00 174.94 174.32 3i3b s ASP 802 N 1.74 6.28 0.58 3.58 2.15 -1.26 -4.95 116.67 124.78 3i3b s ASP 802 Ca 0.02 -0.16 0.38 0.00 0.43 0.00 0.00 52.55 53.22 3i3b s ASP 802 Cb -0.20 -2.25 1.85 0.00 -0.30 0.00 0.00 42.92 42.02 3i3b s ASP 802 CO 0.06 -0.48 2.14 1.55 -0.17 0.00 0.00 175.17 178.27 3i3b h PRO 803 N 8.52 0.00 0.00 4.34 0.13 -1.97 -2.29 132.00 140.73 3i3b h PRO 803 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3i3b h PRO 803 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3i3b h PRO 803 CO 0.77 0.00 -0.19 -0.97 -0.23 0.00 0.00 178.00 177.37 3i3b h ASN 804 N 0.00 0.00 -4.05 1.44 -1.24 -1.95 -3.35 115.58 106.44 3i3b h ASN 804 Ca 0.00 -0.04 -0.54 0.00 0.71 0.00 0.00 56.30 56.43 3i3b h ASN 804 Cb 0.23 0.00 0.12 0.00 0.73 0.00 0.00 38.32 39.40 3i3b h ASN 804 CO 0.00 0.02 0.56 0.00 -1.29 0.00 0.00 177.43 176.72 3i3b s ALA 805 N -3.16 2.79 0.23 1.57 0.00 -0.86 -4.71 121.76 117.62 3i3b s ALA 805 Ca 0.08 1.20 -0.06 0.00 0.00 0.00 0.00 51.96 53.19 3i3b s ALA 805 Cb 0.10 -3.51 0.39 0.00 0.00 0.00 0.00 23.12 20.10 3i3b s ALA 805 CO 0.65 -1.21 1.76 -1.49 0.00 0.00 0.00 175.76 175.47 3i3b h TRP 806 N 1.45 0.58 -0.28 0.00 4.06 -1.82 -1.59 115.95 118.35 3i3b h TRP 806 Ca -0.51 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.42 3i3b h TRP 806 Cb 1.29 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 29.29 3i3b h TRP 806 CO 0.47 0.16 -0.07 -0.24 -3.56 0.00 0.00 178.44 175.20 3i3b h VAL 807 N 0.53 1.20 -0.05 1.49 3.04 -1.60 -0.86 116.25 120.00 3i3b h VAL 807 Ca 0.38 -0.87 -0.15 0.00 -1.01 0.00 0.00 66.70 65.05 3i3b h VAL 807 Cb 0.48 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.82 3i3b h VAL 807 CO -0.33 0.29 -0.65 -0.33 -1.01 0.00 0.00 177.57 175.54 3i3b h GLU 808 N 0.43 0.22 -0.10 4.17 4.39 -1.60 -1.31 114.58 120.78 3i3b h GLU 808 Ca 0.09 -0.16 -0.18 0.00 0.34 0.00 0.00 59.36 59.45 3i3b h GLU 808 Cb 0.40 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3i3b h GLU 808 CO 0.02 0.79 -0.69 0.00 -1.16 0.00 0.00 179.01 177.97 3i3b h ARG 809 N 0.16 0.45 -0.16 2.33 3.08 -0.86 -1.65 114.38 117.73 3i3b h ARG 809 Ca -0.01 -0.35 -0.07 0.00 0.07 0.00 0.00 59.98 59.62 3i3b h ARG 809 Cb 1.17 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3i3b h ARG 809 CO 0.10 0.98 -0.18 -1.49 -1.07 0.00 0.00 179.97 178.31 3i3b h TRP 810 N 0.32 0.48 -0.08 3.04 6.55 -1.05 -2.29 115.95 122.92 3i3b h TRP 810 Ca -0.02 -0.15 0.01 0.00 0.95 0.00 0.00 58.89 59.67 3i3b h TRP 810 Cb 1.26 -0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 29.45 3i3b h TRP 810 CO 0.05 0.79 0.03 0.87 -1.05 0.00 0.00 178.44 179.13 3i3b h LYS 811 N 0.04 0.07 0.00 0.49 1.57 -1.25 -0.89 116.57 116.59 3i3b h LYS 811 Ca 0.02 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3i3b h LYS 811 Cb 0.72 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 3i3b h LYS 811 CO 0.04 0.04 -0.14 0.00 -0.57 0.00 0.00 179.45 178.83 3i3b h ALA 812 N 1.05 1.60 -0.00 3.86 0.00 -1.33 -0.69 119.26 123.76 3i3b h ALA 812 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i3b h ALA 812 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i3b h ALA 812 CO -0.04 0.17 -0.21 0.00 0.00 0.00 0.00 179.25 179.17 3i3b n ALA 813 N -2.44 2.88 -0.82 0.00 0.00 -0.86 -4.93 120.51 114.34 3i3b n ALA 813 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3i3b n ALA 813 Cb 0.22 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3i3b n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3b n GLY 814 N 1.46 0.53 0.34 0.00 0.00 -0.26 -4.86 105.19 102.40 3i3b n GLY 814 Ca 0.08 -0.50 0.09 0.00 0.00 0.00 0.00 46.02 45.69 3i3b n GLY 814 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3i3b h HIS 815 N 0.00 0.44 0.00 1.61 3.86 -1.41 0.58 115.15 120.24 3i3b h HIS 815 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3i3b h HIS 815 Cb 0.00 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.32 3i3b h HIS 815 CO 0.00 0.24 -0.08 0.66 0.86 0.00 0.00 177.93 179.61 3i3b n TYR 816 N -4.47 0.82 0.05 2.45 4.01 -1.26 -3.95 117.16 114.81 3i3b n TYR 816 Ca 0.07 0.24 0.01 0.00 -0.16 0.00 0.00 57.90 58.06 3i3b n TYR 816 Cb 0.27 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 38.43 3i3b n TYR 816 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3i3b n GLN 817 N -2.19 -0.81 -1.75 -0.72 6.02 -0.56 -5.05 117.38 112.33 3i3b n GLN 817 Ca 0.05 -0.56 -0.42 0.00 -0.01 0.00 0.00 57.00 56.06 3i3b n GLN 817 Cb 0.43 -1.02 -0.01 0.00 1.02 0.00 0.00 30.24 30.65 3i3b n GLN 817 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i3b n ALA 818 N 0.06 2.50 -2.63 -1.58 0.00 0.09 -5.00 120.51 113.94 3i3b n ALA 818 Ca 0.01 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.49 3i3b n ALA 818 Cb 0.03 -2.45 -0.10 0.00 0.00 0.00 0.00 19.45 16.92 3i3b n ALA 818 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i3b s GLU 819 N -0.79 2.69 -0.38 0.00 2.02 -1.22 -4.89 118.70 116.13 3i3b s GLU 819 Ca 0.62 -0.63 -0.28 0.00 0.02 0.00 0.00 54.97 54.70 3i3b s GLU 819 Cb -0.49 -2.59 0.02 0.00 0.10 0.00 0.00 34.13 31.16 3i3b s GLU 819 CO 0.51 0.63 1.04 0.00 0.02 0.00 0.00 175.26 177.46 3i3b s ALA 820 N -0.98 3.37 -0.21 5.21 0.00 -1.26 -3.00 121.76 124.89 3i3b s ALA 820 Ca 0.17 -0.32 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 3i3b s ALA 820 Cb -0.11 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 3i3b s ALA 820 CO 0.07 -1.75 0.37 0.00 0.00 0.00 0.00 175.76 174.45 3i3b s ALA 821 N 3.81 3.56 -0.12 0.00 0.00 -0.22 -4.90 121.76 123.89 3i3b s ALA 821 Ca 0.43 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.51 3i3b s ALA 821 Cb -0.11 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 3i3b s ALA 821 CO 0.21 -0.32 1.24 -1.17 0.00 0.00 0.00 175.76 175.72 3i3b s LEU 822 N 1.35 4.22 -0.21 0.00 2.96 -1.26 -1.69 118.68 124.04 3i3b s LEU 822 Ca 0.18 1.74 0.14 0.00 -0.22 0.00 0.00 54.13 55.97 3i3b s LEU 822 Cb -0.15 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.77 3i3b s LEU 822 CO 0.08 -0.70 0.01 0.18 -1.32 0.00 0.00 176.35 174.60 3i3b n LEU 823 N 6.07 0.63 -3.63 -0.68 4.77 0.83 -4.99 117.00 119.99 3i3b n LEU 823 Ca 0.13 -0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 3i3b n LEU 823 Cb 0.45 0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.68 3i3b n LEU 823 CO 0.56 0.59 0.44 -1.58 -1.33 0.00 0.00 177.39 176.07 3i3b s GLN 824 N -2.49 0.82 -0.27 3.23 0.74 -1.02 -4.93 119.66 115.75 3i3b s GLN 824 Ca -0.15 0.95 -0.00 0.00 0.05 0.00 0.00 55.36 56.21 3i3b s GLN 824 Cb 0.07 0.40 0.15 0.00 1.10 0.00 0.00 33.01 34.73 3i3b s GLN 824 CO 0.77 -0.10 0.40 0.00 -0.55 0.00 0.00 175.29 175.81 3i3b s THR 826 N 2.55 1.45 -0.03 0.00 -4.23 0.13 -4.97 115.64 110.55 3i3b s THR 826 Ca 0.11 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 3i3b s THR 826 Cb -0.14 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.28 3i3b s THR 826 CO -0.23 -0.30 -0.04 0.00 -0.54 0.00 0.00 174.62 173.50 3i3b s ALA 827 N -3.14 0.54 -0.04 3.99 0.00 -1.26 -1.55 121.76 120.31 3i3b s ALA 827 Ca 0.29 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.18 3i3b s ALA 827 Cb 0.04 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.90 3i3b s ALA 827 CO 0.11 0.04 -0.06 -0.51 0.00 0.00 0.00 175.76 175.34 3i3b s ASP 828 N 0.51 0.98 -0.21 0.00 1.01 0.16 -4.96 116.67 114.16 3i3b s ASP 828 Ca -0.06 -0.14 -0.16 0.00 0.71 0.00 0.00 52.55 52.90 3i3b s ASP 828 Cb -0.10 -0.39 -0.04 0.00 1.01 0.00 0.00 42.92 43.41 3i3b s ASP 828 CO -0.00 -0.01 0.40 -0.89 0.21 0.00 0.00 175.17 174.88 3i3b s THR 829 N 0.60 5.19 0.19 -1.27 2.01 -1.26 0.13 115.64 121.22 3i3b s THR 829 Ca -0.08 0.70 0.02 0.00 0.31 0.00 0.00 61.69 62.63 3i3b s THR 829 Cb -0.12 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.69 3i3b s THR 829 CO 0.00 0.24 0.17 0.18 -0.69 0.00 0.00 174.62 174.53 3i3b n LEU 830 N 4.56 0.00 0.13 4.42 4.77 0.30 -4.97 117.00 126.21 3i3b n LEU 830 Ca -0.08 -0.92 -0.15 0.00 -0.03 0.00 0.00 56.01 54.82 3i3b n LEU 830 Cb 0.51 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 3i3b n LEU 830 CO 0.40 -0.42 0.56 0.00 -1.33 0.00 0.00 177.39 176.59 3i3b h ALA 831 N 0.62 -0.86 -0.16 -1.18 0.00 -2.01 -3.30 119.26 112.37 3i3b h ALA 831 Ca -0.11 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 3i3b h ALA 831 Cb 0.42 0.78 -0.22 0.00 0.00 0.00 0.00 17.79 18.77 3i3b h ALA 831 CO 0.17 -1.05 -0.76 -0.40 0.00 0.00 0.00 179.25 177.21 3i3b n ASP 832 N -5.48 2.02 -3.50 0.00 5.75 -1.26 -4.96 116.55 109.12 3i3b n ASP 832 Ca -0.08 -3.18 -0.09 0.00 -0.01 0.00 0.00 54.79 51.44 3i3b n ASP 832 Cb 0.40 -0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 40.04 3i3b n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i3b s ALA 833 N -2.46 -1.81 -0.13 2.12 0.00 -1.24 -1.16 121.76 117.07 3i3b s ALA 833 Ca 0.38 1.01 -0.03 0.00 0.00 0.00 0.00 51.96 53.32 3i3b s ALA 833 Cb 0.38 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 3i3b s ALA 833 CO -0.08 -0.67 -0.04 0.08 0.00 0.00 0.00 175.76 175.05 3i3b s VAL 834 N -3.06 3.88 -0.18 0.00 1.01 -0.51 0.11 120.40 121.65 3i3b s VAL 834 Ca 0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 3i3b s VAL 834 Cb -0.01 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 3i3b s VAL 834 CO -0.09 0.52 -0.07 -0.22 0.00 0.00 0.00 175.10 175.24 3i3b s LEU 835 N 0.04 2.87 -0.20 3.92 2.96 0.34 -2.46 118.68 126.16 3i3b s LEU 835 Ca 0.00 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 3i3b s LEU 835 Cb -0.13 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 3i3b s LEU 835 CO 0.03 0.06 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.42 3i3b s ILE 836 N 0.97 3.26 -0.12 6.68 -1.09 -0.44 0.38 121.20 130.84 3i3b s ILE 836 Ca -0.01 -0.54 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 3i3b s ILE 836 Cb -0.15 -2.45 -0.02 0.00 -1.58 0.00 0.00 42.46 38.26 3i3b s ILE 836 CO 0.00 0.46 -0.14 -0.89 -1.23 0.00 0.00 174.94 173.13 3i3b s THR 837 N 1.17 2.98 0.11 2.92 2.01 -0.60 0.10 115.64 124.33 3i3b s THR 837 Ca 0.02 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.35 3i3b s THR 837 Cb -0.14 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 3i3b s THR 837 CO -0.02 0.54 -0.08 0.42 -0.69 0.00 0.00 174.62 174.79 3i3b s THR 838 N 0.18 0.83 -0.14 -0.82 -4.23 0.55 -0.70 115.64 111.32 3i3b s THR 838 Ca -0.08 -1.88 -0.07 0.00 -1.18 0.00 0.00 61.69 58.48 3i3b s THR 838 Cb -0.15 -1.62 0.06 0.00 1.34 0.00 0.00 72.50 72.12 3i3b s THR 838 CO 0.05 -0.78 0.33 0.00 -0.54 0.00 0.00 174.62 173.68 3i3b s ALA 839 N -3.29 -0.80 0.17 3.99 0.00 0.04 -0.94 121.76 120.94 3i3b s ALA 839 Ca 0.11 1.25 0.07 0.00 0.00 0.00 0.00 51.96 53.38 3i3b s ALA 839 Cb 0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 3i3b s ALA 839 CO -0.03 -0.30 -0.13 -1.01 0.00 0.00 0.00 175.76 174.29 3i3b s HIS 840 N 1.50 1.54 -0.08 0.00 3.76 0.42 -0.12 115.29 122.32 3i3b s HIS 840 Ca -0.08 -0.62 -0.02 0.00 -0.15 0.00 0.00 55.06 54.19 3i3b s HIS 840 Cb -0.10 -0.75 0.04 0.00 1.11 0.00 0.00 32.58 32.88 3i3b s HIS 840 CO -0.11 0.24 0.04 0.00 -0.85 0.00 0.00 174.74 174.07 3i3b s ALA 841 N -2.91 0.47 -0.25 -1.40 0.00 -0.68 -1.18 121.76 115.82 3i3b s ALA 841 Ca 0.18 -0.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.93 3i3b s ALA 841 Cb -0.01 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 3i3b s ALA 841 CO 0.04 -0.61 0.48 -1.58 0.00 0.00 0.00 175.76 174.09 3i3b s TRP 842 N 2.07 3.29 0.26 0.00 0.51 0.19 -1.06 118.94 124.21 3i3b s TRP 842 Ca 0.04 0.61 0.05 0.00 -2.12 0.00 0.00 56.10 54.69 3i3b s TRP 842 Cb -0.13 -2.67 -0.06 0.00 -0.81 0.00 0.00 33.47 29.81 3i3b s TRP 842 CO -0.05 -0.22 -0.04 -0.65 -0.51 0.00 0.00 176.95 175.48 3i3b s GLN 843 N 2.08 1.48 -0.21 4.98 -0.21 -1.16 0.49 119.66 127.10 3i3b s GLN 843 Ca 0.20 -1.75 -0.09 0.00 0.02 0.00 0.00 55.36 53.74 3i3b s GLN 843 Cb -0.16 -0.96 0.08 0.00 1.00 0.00 0.00 33.01 32.97 3i3b s GLN 843 CO 0.09 -0.01 0.47 -1.58 -2.12 0.00 0.00 175.29 172.14 3i3b s HIS 844 N -3.16 -0.80 -1.50 0.91 2.46 0.63 -3.37 115.29 110.45 3i3b s HIS 844 Ca 0.29 1.57 -0.13 0.00 0.47 0.00 0.00 55.06 57.27 3i3b s HIS 844 Cb 0.05 0.38 0.08 0.00 -0.13 0.00 0.00 32.58 32.95 3i3b s HIS 844 CO 0.11 -0.44 0.90 1.04 -2.47 0.00 0.00 174.74 173.88 3i3b n GLN 845 N 4.75 -5.30 -0.98 2.88 1.13 -1.26 -0.21 117.38 118.38 3i3b n GLN 845 Ca -0.17 0.61 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 3i3b n GLN 845 Cb 0.53 -5.49 0.00 0.00 0.11 0.00 0.00 30.24 25.39 3i3b n GLN 845 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i3b n GLY 846 N -1.63 0.77 3.58 1.08 0.00 -1.26 -5.01 105.19 102.72 3i3b n GLY 846 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3i3b n GLY 846 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i3b s LYS 847 N -0.08 3.92 -0.48 1.61 2.47 0.70 -5.05 119.74 122.84 3i3b s LYS 847 Ca 0.00 -0.34 -0.28 0.00 -1.56 0.00 0.00 55.97 53.79 3i3b s LYS 847 Cb 0.00 -3.52 0.03 0.00 -1.46 0.00 0.00 37.83 32.88 3i3b s LYS 847 CO 0.00 -0.08 1.09 0.99 0.16 0.00 0.00 175.35 177.51 3i3b s THR 848 N 1.43 4.25 -0.15 3.43 2.01 -1.26 -0.27 115.64 125.09 3i3b s THR 848 Ca 0.07 1.10 -0.27 0.00 0.31 0.00 0.00 61.69 62.89 3i3b s THR 848 Cb -0.15 -4.58 -0.24 0.00 0.01 0.00 0.00 72.50 67.54 3i3b s THR 848 CO 0.07 -0.99 0.68 -0.07 -0.69 0.00 0.00 174.62 173.61 3i3b h LEU 849 N 11.12 0.00 -8.38 4.42 3.38 -0.31 -3.42 115.31 122.12 3i3b h LEU 849 Ca -0.23 -0.91 -0.21 0.00 0.09 0.00 0.00 57.88 56.62 3i3b h LEU 849 Cb 1.06 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.66 3i3b h LEU 849 CO 1.11 1.05 -0.70 -0.36 0.09 0.00 0.00 178.44 179.63 3i3b s PHE 850 N -2.22 0.79 -0.05 1.13 0.08 -1.07 -1.73 117.98 114.92 3i3b s PHE 850 Ca -0.20 -0.91 -0.01 0.00 0.12 0.00 0.00 56.93 55.93 3i3b s PHE 850 Cb -0.02 -0.48 0.03 0.00 -0.57 0.00 0.00 43.02 41.98 3i3b s PHE 850 CO 0.66 -0.19 0.03 0.42 -0.10 0.00 0.00 175.22 176.03 3i3b s ILE 851 N -3.49 0.10 -0.18 0.64 1.01 -0.40 -0.63 121.20 118.26 3i3b s ILE 851 Ca 0.09 0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.97 3i3b s ILE 851 Cb 0.04 -0.29 -0.00 0.00 0.01 0.00 0.00 42.46 42.22 3i3b s ILE 851 CO -0.05 0.19 -0.12 -0.55 0.00 0.00 0.00 174.94 174.41 3i3b s SER 852 N 1.76 3.88 -0.17 3.58 0.15 -0.32 -0.60 113.70 121.97 3i3b s SER 852 Ca 0.00 -0.44 -0.01 0.00 0.70 0.00 0.00 55.95 56.21 3i3b s SER 852 Cb -0.13 -1.62 -0.00 0.00 -1.71 0.00 0.00 66.02 62.56 3i3b s SER 852 CO -0.03 0.05 -0.13 -0.13 1.20 0.00 0.00 173.24 174.19 3i3b s ARG 853 N 1.03 3.24 0.18 5.44 0.52 0.05 -0.43 118.95 128.98 3i3b s ARG 853 Ca -0.01 -0.73 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 3i3b s ARG 853 Cb -0.15 -2.70 -0.05 0.00 0.52 0.00 0.00 34.95 32.58 3i3b s ARG 853 CO -0.02 -0.03 0.01 0.15 0.02 0.00 0.00 175.30 175.43 3i3b s LYS 854 N 0.96 1.15 -0.07 3.54 1.02 -0.11 -1.20 119.74 125.03 3i3b s LYS 854 Ca -0.02 -1.56 -0.04 0.00 0.02 0.00 0.00 55.97 54.37 3i3b s LYS 854 Cb -0.15 -0.28 0.04 0.00 -0.52 0.00 0.00 37.83 36.92 3i3b s LYS 854 CO -0.02 -0.15 0.16 0.95 -0.92 0.00 0.00 175.35 175.38 3i3b s THR 855 N -3.66 -0.04 -0.20 2.17 -4.23 -1.02 -0.33 115.64 108.34 3i3b s THR 855 Ca 0.26 0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 60.89 3i3b s THR 855 Cb 0.06 -0.26 -0.01 0.00 1.34 0.00 0.00 72.50 73.63 3i3b s THR 855 CO 0.05 0.06 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.82 3i3b s TYR 856 N 1.03 2.93 -0.33 3.99 1.51 0.11 -1.73 117.35 124.86 3i3b s TYR 856 Ca -0.08 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.07 3i3b s TYR 856 Cb -0.10 -2.04 0.08 0.00 -0.11 0.00 0.00 41.96 39.79 3i3b s TYR 856 CO -0.06 -0.49 0.04 0.50 -1.11 0.00 0.00 175.55 174.43 3i3b s ARG 857 N 1.23 2.07 -0.30 -0.62 3.52 0.15 -1.32 118.95 123.68 3i3b s ARG 857 Ca 0.03 -1.55 -0.12 0.00 -0.13 0.00 0.00 55.73 53.96 3i3b s ARG 857 Cb -0.14 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 3i3b s ARG 857 CO -0.02 -0.79 0.21 0.42 -0.81 0.00 0.00 175.30 174.31 3i3b s ILE 858 N 1.12 5.30 0.45 4.11 1.01 -1.03 -0.95 121.20 131.21 3i3b s ILE 858 Ca 0.01 0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.77 3i3b s ILE 858 Cb -0.20 -3.59 0.06 0.00 0.01 0.00 0.00 42.46 38.74 3i3b s ILE 858 CO -0.04 0.17 0.51 -0.90 0.00 0.00 0.00 174.94 174.68 3i3b n ASP 859 N 5.08 1.94 0.00 3.58 5.68 -1.06 -1.43 116.55 130.33 3i3b n ASP 859 Ca -0.14 -2.32 0.02 0.00 -0.50 0.00 0.00 54.79 51.86 3i3b n ASP 859 Cb 0.51 -0.22 0.09 0.00 -1.14 0.00 0.00 41.12 40.37 3i3b n ASP 859 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i3b n GLY 860 N -0.41 -0.57 0.82 6.12 0.00 -0.31 -1.92 105.19 108.92 3i3b n GLY 860 Ca 0.07 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3i3b n GLY 860 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i3b n SER 861 N -1.43 2.56 0.00 1.61 3.41 -1.26 -4.45 113.62 114.06 3i3b n SER 861 Ca 0.01 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 3i3b n SER 861 Cb 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3i3b n SER 861 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i3b n GLY 862 N 1.30 0.59 3.80 5.00 0.00 -0.81 -5.01 105.19 110.06 3i3b n GLY 862 Ca 0.15 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3i3b n GLY 862 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i3b s GLN 863 N -0.64 3.88 -0.41 1.61 -0.21 -1.26 -4.56 119.66 118.07 3i3b s GLN 863 Ca 0.00 -0.10 -0.09 0.00 0.02 0.00 0.00 55.36 55.19 3i3b s GLN 863 Cb 0.00 -3.32 0.08 0.00 1.00 0.00 0.00 33.01 30.77 3i3b s GLN 863 CO 0.00 0.51 0.25 1.41 -2.12 0.00 0.00 175.29 175.34 3i3b s MET 864 N -0.27 2.59 -0.33 2.91 -2.45 0.06 -2.58 119.30 119.22 3i3b s MET 864 Ca 0.13 -1.45 -0.22 0.00 -1.25 0.00 0.00 55.69 52.90 3i3b s MET 864 Cb -0.12 -3.76 0.00 0.00 1.25 0.00 0.00 34.83 32.20 3i3b s MET 864 CO 0.02 -0.94 0.72 0.00 1.05 0.00 0.00 175.02 175.88 3i3b s ALA 865 N 1.42 3.49 -0.19 4.11 0.00 -0.12 -0.95 121.76 129.51 3i3b s ALA 865 Ca 0.03 -0.61 -0.06 0.00 0.00 0.00 0.00 51.96 51.32 3i3b s ALA 865 Cb -0.23 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 3i3b s ALA 865 CO 0.02 -1.27 0.02 0.42 0.00 0.00 0.00 175.76 174.95 3i3b s ILE 866 N 2.87 4.27 -0.20 0.00 1.01 0.13 -0.67 121.20 128.61 3i3b s ILE 866 Ca 0.29 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.73 3i3b s ILE 866 Cb -0.14 -2.93 0.02 0.00 0.01 0.00 0.00 42.46 39.42 3i3b s ILE 866 CO 0.14 0.43 -0.15 -0.89 0.00 0.00 0.00 174.94 174.47 3i3b s THR 867 N 0.79 2.38 -0.14 2.92 2.01 -0.71 -0.74 115.64 122.16 3i3b s THR 867 Ca 0.02 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.12 3i3b s THR 867 Cb -0.14 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.30 3i3b s THR 867 CO 0.02 0.46 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.58 3i3b s VAL 868 N 1.32 2.92 -0.17 3.82 1.01 0.11 -2.44 120.40 126.98 3i3b s VAL 868 Ca 0.04 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 3i3b s VAL 868 Cb -0.14 -2.23 0.04 0.00 0.00 0.00 0.00 36.38 34.05 3i3b s VAL 868 CO -0.10 0.52 -0.07 -1.81 0.00 0.00 0.00 175.10 173.65 3i3b s ASP 869 N 0.48 2.87 0.03 3.32 1.01 -0.34 -1.51 116.67 122.53 3i3b s ASP 869 Ca -0.10 -0.67 0.05 0.00 0.71 0.00 0.00 52.55 52.55 3i3b s ASP 869 Cb -0.16 -0.97 -0.03 0.00 1.01 0.00 0.00 42.92 42.77 3i3b s ASP 869 CO 0.05 -0.17 -0.12 -0.69 0.21 0.00 0.00 175.17 174.44 3i3b s VAL 870 N 1.60 3.21 -0.08 -1.27 1.01 0.17 -0.77 120.40 124.27 3i3b s VAL 870 Ca 0.01 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.02 3i3b s VAL 870 Cb -0.15 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3i3b s VAL 870 CO -0.08 0.35 -0.19 -1.61 0.00 0.00 0.00 175.10 173.57 3i3b s GLU 871 N -1.47 2.84 -0.16 2.72 2.02 0.23 -0.84 118.70 124.03 3i3b s GLU 871 Ca 0.16 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.36 3i3b s GLU 871 Cb -0.11 -2.36 0.02 0.00 0.10 0.00 0.00 34.13 31.79 3i3b s GLU 871 CO 0.07 0.36 -0.17 0.08 0.02 0.00 0.00 175.26 175.62 3i3b s VAL 872 N -0.08 1.81 0.13 2.63 1.01 0.32 -1.28 120.40 124.94 3i3b s VAL 872 Ca -0.04 -0.78 -0.35 0.00 0.00 0.00 0.00 61.98 60.80 3i3b s VAL 872 Cb -0.14 -1.66 -0.16 0.00 0.00 0.00 0.00 36.38 34.42 3i3b s VAL 872 CO 0.04 0.50 1.34 0.00 0.00 0.00 0.00 175.10 176.98 3i3b n ALA 873 N 4.68 -0.44 0.25 5.51 0.00 -0.70 -4.65 120.51 125.16 3i3b n ALA 873 Ca -0.19 0.49 0.10 0.00 0.00 0.00 0.00 53.44 53.84 3i3b n ALA 873 Cb 0.50 -2.12 0.67 0.00 0.00 0.00 0.00 19.45 18.50 3i3b n ALA 873 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i3b h SER 874 N 4.50 0.00 -0.14 0.00 4.64 -1.94 -2.82 113.55 117.80 3i3b h SER 874 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3i3b h SER 874 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3i3b h SER 874 CO 0.78 0.13 0.00 -0.90 -0.87 0.00 0.00 176.83 175.96 3i3b n ASP 875 N -3.90 1.80 -4.90 4.97 5.75 -1.26 -4.88 116.55 114.13 3i3b n ASP 875 Ca -0.02 -1.68 -0.31 0.00 -0.01 0.00 0.00 54.79 52.77 3i3b n ASP 875 Cb 0.22 -0.08 -0.04 0.00 -1.03 0.00 0.00 41.12 40.18 3i3b n ASP 875 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3i3b s THR 876 N -1.83 5.17 0.32 2.12 -1.32 -1.07 -5.03 115.64 114.00 3i3b s THR 876 Ca 0.34 -0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.51 3i3b s THR 876 Cb 0.19 -3.64 -0.11 0.00 -1.51 0.00 0.00 72.50 67.43 3i3b s THR 876 CO 0.29 0.01 1.53 -2.16 -2.21 0.00 0.00 174.62 172.07 3i3b s PRO 877 N -2.75 4.14 0.14 7.08 0.04 -1.26 -4.86 135.00 137.52 3i3b s PRO 877 Ca 0.41 2.54 -0.35 0.00 0.04 0.00 0.00 61.00 63.64 3i3b s PRO 877 Cb -0.12 -3.01 -0.15 0.00 0.04 0.00 0.00 34.50 31.26 3i3b s PRO 877 CO 0.25 -0.56 1.37 0.72 0.04 0.00 0.00 177.00 178.82 3i3b n HIS 878 N 1.47 1.74 -2.19 0.56 8.25 -1.26 -4.91 115.22 118.87 3i3b n HIS 878 Ca 0.05 0.53 -0.36 0.00 -0.26 0.00 0.00 57.72 57.68 3i3b n HIS 878 Cb 0.38 -2.39 0.00 0.00 1.12 0.00 0.00 29.99 29.11 3i3b n HIS 878 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3i3b s PRO 879 N 0.31 3.46 0.49 -0.41 0.04 -1.26 -4.91 135.00 132.72 3i3b s PRO 879 Ca 0.79 1.75 0.18 0.00 0.04 0.00 0.00 61.00 63.76 3i3b s PRO 879 Cb -0.83 -2.18 1.22 0.00 0.04 0.00 0.00 34.50 32.75 3i3b s PRO 879 CO 0.46 -0.79 2.07 0.00 0.04 0.00 0.00 177.00 178.78 3i3b h ALA 880 N 1.53 1.69 -2.39 8.56 0.00 -1.85 -3.42 119.26 123.38 3i3b h ALA 880 Ca -0.50 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.43 3i3b h ALA 880 Cb 1.26 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.91 3i3b h ALA 880 CO 0.58 0.14 0.45 -0.98 0.00 0.00 0.00 179.25 179.44 3i3b s ARG 881 N -4.68 1.01 -0.32 0.00 1.70 -1.16 -0.71 118.95 114.79 3i3b s ARG 881 Ca -0.04 -0.45 -0.02 0.00 -0.47 0.00 0.00 55.73 54.75 3i3b s ARG 881 Cb 0.16 0.42 0.11 0.00 -0.57 0.00 0.00 34.95 35.06 3i3b s ARG 881 CO 0.66 -0.45 0.13 0.42 -1.08 0.00 0.00 175.30 174.98 3i3b s ILE 882 N -3.26 0.51 0.00 4.99 1.01 -0.21 -4.04 121.20 120.21 3i3b s ILE 882 Ca 0.07 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.44 3i3b s ILE 882 Cb -0.01 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 41.06 3i3b s ILE 882 CO -0.06 -0.74 0.00 0.61 0.00 0.00 0.00 174.94 174.76 3i3b n GLY 883 N 4.83 2.71 3.32 6.18 0.00 -1.02 -0.59 105.19 120.62 3i3b n GLY 883 Ca -0.01 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 3i3b n GLY 883 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3b s LEU 884 N 0.00 2.52 0.00 0.99 1.43 0.88 -1.02 118.68 123.47 3i3b s LEU 884 Ca 0.00 -0.97 -0.18 0.00 -1.03 0.00 0.00 54.13 51.95 3i3b s LEU 884 Cb 0.00 -0.63 0.03 0.00 0.03 0.00 0.00 46.19 45.63 3i3b s LEU 884 CO 0.00 -0.18 0.39 0.54 0.23 0.00 0.00 176.35 177.34 3i3b s ASN 885 N -3.11 -0.28 0.18 2.29 4.22 -0.18 -1.13 114.94 116.93 3i3b s ASN 885 Ca 0.19 0.13 -0.23 0.00 -2.14 0.00 0.00 52.86 50.80 3i3b s ASN 885 Cb -0.01 0.38 0.06 0.00 1.28 0.00 0.00 41.25 42.95 3i3b s ASN 885 CO 0.05 -0.55 0.75 0.00 -2.04 0.00 0.00 177.10 175.31 3i3b s GLN 887 N -3.64 2.13 0.58 0.00 0.74 -1.17 -1.26 119.66 117.04 3i3b s GLN 887 Ca 0.07 -1.67 -0.19 0.00 0.05 0.00 0.00 55.36 53.62 3i3b s GLN 887 Cb -0.03 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 3i3b s GLN 887 CO -0.03 -0.96 1.14 -0.51 -0.55 0.00 0.00 175.29 174.38 3i3b s LEU 888 N 1.18 3.67 0.12 3.68 1.43 0.11 0.41 118.68 129.28 3i3b s LEU 888 Ca 0.05 2.19 0.04 0.00 -1.03 0.00 0.00 54.13 55.39 3i3b s LEU 888 Cb -0.22 -4.58 -0.19 0.00 0.03 0.00 0.00 46.19 41.23 3i3b s LEU 888 CO -0.03 -1.38 1.27 0.00 0.23 0.00 0.00 176.35 176.44 3i3b h ALA 889 N 0.92 0.33 -2.39 4.21 0.00 -1.26 0.14 119.26 121.21 3i3b h ALA 889 Ca -0.50 -0.88 -0.48 0.00 0.00 0.00 0.00 54.91 53.06 3i3b h ALA 889 Cb 1.27 -0.11 0.04 0.00 0.00 0.00 0.00 17.79 18.98 3i3b h ALA 889 CO 0.56 1.14 0.40 -1.14 0.00 0.00 0.00 179.25 180.21 3i3b s GLN 890 N -2.77 3.69 -0.27 0.00 0.74 -1.26 -4.15 119.66 115.63 3i3b s GLN 890 Ca -0.01 1.42 -0.01 0.00 0.05 0.00 0.00 55.36 56.81 3i3b s GLN 890 Cb 0.09 -2.07 0.09 0.00 1.10 0.00 0.00 33.01 32.22 3i3b s GLN 890 CO 0.83 -0.53 0.06 0.08 -0.55 0.00 0.00 175.29 175.18 3i3b s VAL 891 N -1.93 0.88 0.37 1.34 1.01 -1.26 -3.38 120.40 117.43 3i3b s VAL 891 Ca 0.69 -1.18 0.07 0.00 0.00 0.00 0.00 61.98 61.56 3i3b s VAL 891 Cb -0.18 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 3i3b s VAL 891 CO 0.22 -0.49 0.42 0.00 0.00 0.00 0.00 175.10 175.25 3i3b s ALA 892 N 1.64 4.15 -0.01 5.51 0.00 -1.26 -5.05 121.76 126.74 3i3b s ALA 892 Ca 0.05 -1.65 0.11 0.00 0.00 0.00 0.00 51.96 50.48 3i3b s ALA 892 Cb -0.17 -1.39 -0.23 0.00 0.00 0.00 0.00 23.12 21.33 3i3b s ALA 892 CO -0.19 -0.11 0.78 0.93 0.00 0.00 0.00 175.76 177.17 3i3b h GLU 893 N 0.97 0.01 -6.40 0.00 5.08 -2.00 -3.43 114.58 108.80 3i3b h GLU 893 Ca -0.43 -0.01 -0.62 0.00 -1.00 0.00 0.00 59.36 57.29 3i3b h GLU 893 Cb 1.26 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.37 3i3b h GLU 893 CO 0.54 0.61 -0.76 1.03 -1.00 0.00 0.00 179.01 179.42 3i3b s ARG 894 N -2.62 1.76 -0.14 2.33 1.81 -1.26 -0.64 118.95 120.20 3i3b s ARG 894 Ca -0.04 -1.54 -0.00 0.00 -1.72 0.00 0.00 55.73 52.42 3i3b s ARG 894 Cb 0.08 -1.92 0.03 0.00 -0.45 0.00 0.00 34.95 32.70 3i3b s ARG 894 CO 0.82 0.38 -0.07 0.08 -0.68 0.00 0.00 175.30 175.83 3i3b s VAL 895 N -2.02 1.10 -0.12 3.52 1.01 0.33 -4.59 120.40 119.62 3i3b s VAL 895 Ca 0.26 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3i3b s VAL 895 Cb -0.07 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3i3b s VAL 895 CO 0.14 0.28 -0.15 0.21 0.00 0.00 0.00 175.10 175.57 3i3b s ASN 896 N 1.66 3.84 0.04 3.32 3.84 -0.67 -1.90 114.94 125.07 3i3b s ASN 896 Ca 0.03 -0.36 -0.16 0.00 0.21 0.00 0.00 52.86 52.58 3i3b s ASN 896 Cb -0.14 -1.52 0.03 0.00 -0.55 0.00 0.00 41.25 39.08 3i3b s ASN 896 CO -0.08 0.18 0.37 -1.66 -2.79 0.00 0.00 177.10 173.11 3i3b s TRP 897 N 0.27 -0.20 -0.37 0.43 -2.14 -0.09 0.10 118.94 116.95 3i3b s TRP 897 Ca -0.11 0.12 -0.07 0.00 2.66 0.00 0.00 56.10 58.70 3i3b s TRP 897 Cb -0.16 0.17 0.06 0.00 -3.10 0.00 0.00 33.47 30.44 3i3b s TRP 897 CO 0.06 -0.54 0.16 -1.17 -2.66 0.00 0.00 176.95 172.80 3i3b s LEU 898 N -2.03 4.67 0.00 -4.66 2.96 0.17 -0.16 118.68 119.64 3i3b s LEU 898 Ca -0.05 -1.33 0.00 0.00 -0.22 0.00 0.00 54.13 52.53 3i3b s LEU 898 Cb -0.01 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.78 3i3b s LEU 898 CO -0.03 -0.41 0.00 0.61 -1.32 0.00 0.00 176.35 175.20 3i3b n GLY 899 N 4.83 -0.63 3.72 7.98 0.00 -0.58 -0.93 105.19 119.58 3i3b n GLY 899 Ca -0.11 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 3i3b n GLY 899 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i3b s LEU 900 N 0.00 4.37 0.00 0.99 1.43 -0.76 -1.31 118.68 123.41 3i3b s LEU 900 Ca 0.00 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 3i3b s LEU 900 Cb 0.00 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.86 3i3b s LEU 900 CO 0.00 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.04 3i3b n GLY 901 N 2.84 1.42 0.19 -3.19 0.00 -0.49 -4.38 105.19 101.59 3i3b n GLY 901 Ca 0.02 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.50 3i3b n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i3b h PRO 902 N 0.00 0.00 -7.32 1.61 0.13 -1.93 -1.89 132.00 122.60 3i3b h PRO 902 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 3i3b h PRO 902 Cb 0.00 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.21 3i3b h PRO 902 CO 0.00 0.00 0.25 -0.65 -0.23 0.00 0.00 178.00 177.37 3i3b s GLN 903 N -3.19 2.31 0.24 0.86 -0.21 -1.26 -5.01 119.66 113.40 3i3b s GLN 903 Ca 0.08 -0.14 -0.31 0.00 0.02 0.00 0.00 55.36 55.01 3i3b s GLN 903 Cb 0.07 -2.15 -0.14 0.00 1.00 0.00 0.00 33.01 31.79 3i3b s GLN 903 CO 0.65 -1.19 1.36 -1.91 -2.12 0.00 0.00 175.29 172.08 3i3b n GLU 904 N -2.92 1.91 -3.73 2.91 2.13 -1.26 -4.88 120.64 114.80 3i3b n GLU 904 Ca 0.07 0.68 -0.13 0.00 0.66 0.00 0.00 57.16 58.44 3i3b n GLU 904 Cb 0.60 -2.30 -0.10 0.00 0.27 0.00 0.00 31.44 29.91 3i3b n GLU 904 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3i3b s ASN 905 N 0.19 -0.38 0.30 4.31 2.20 -0.17 -4.90 114.94 116.49 3i3b s ASN 905 Ca 0.68 0.67 0.10 0.00 -0.94 0.00 0.00 52.86 53.36 3i3b s ASN 905 Cb -0.67 0.72 -0.06 0.00 -2.00 0.00 0.00 41.25 39.24 3i3b s ASN 905 CO 0.51 -0.21 -0.13 -0.31 -2.94 0.00 0.00 177.10 174.02 3i3b s TYR 906 N -0.12 2.23 0.32 1.54 1.51 -0.82 -3.72 117.35 118.28 3i3b s TYR 906 Ca -0.03 -0.49 0.07 0.00 -1.01 0.00 0.00 57.07 55.61 3i3b s TYR 906 Cb -0.03 -1.16 0.89 0.00 -0.11 0.00 0.00 41.96 41.55 3i3b s TYR 906 CO 0.02 0.55 1.61 -1.35 -1.11 0.00 0.00 175.55 175.27 3i3b h PRO 907 N 2.19 0.11 -0.67 -1.71 0.11 -1.86 0.31 132.00 130.48 3i3b h PRO 907 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3i3b h PRO 907 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i3b h PRO 907 CO 0.66 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 3i3b n ASP 908 N -5.30 3.90 -2.99 -2.05 5.75 -1.26 -4.45 116.55 110.15 3i3b n ASP 908 Ca 0.26 -2.13 -0.16 0.00 -0.01 0.00 0.00 54.79 52.75 3i3b n ASP 908 Cb 0.86 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 3i3b n ASP 908 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3i3b n ARG 909 N 1.34 0.84 0.00 0.11 0.63 0.11 -0.63 116.66 119.06 3i3b n ARG 909 Ca 0.23 -2.62 0.00 0.00 -0.92 0.00 0.00 57.85 54.54 3i3b n ARG 909 Cb 0.66 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 32.21 3i3b n ARG 909 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 3i3b n LEU 910 N 1.03 0.08 0.06 6.15 -0.00 -1.00 -1.94 117.00 121.38 3i3b n LEU 910 Ca 0.16 -0.08 0.02 0.00 -0.00 0.00 0.00 56.01 56.10 3i3b n LEU 910 Cb 0.62 0.00 0.36 0.00 -0.00 0.00 0.00 43.42 44.40 3i3b n LEU 910 CO 0.12 0.02 0.95 0.71 -0.00 0.00 0.00 177.39 179.19 3i3b h THR 911 N 2.61 1.17 0.00 1.47 1.35 -1.91 -2.55 112.91 115.05 3i3b h THR 911 Ca 0.00 -0.68 -0.12 0.00 -0.55 0.00 0.00 66.41 65.06 3i3b h THR 911 Cb 0.91 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 3i3b h THR 911 CO 0.00 0.23 -0.57 0.00 -0.25 0.00 0.00 175.52 174.93 3i3b h ALA 912 N 1.61 0.89 -2.53 6.62 0.00 -1.88 -3.45 119.26 120.52 3i3b h ALA 912 Ca 0.09 -0.51 -0.51 0.00 0.00 0.00 0.00 54.91 53.97 3i3b h ALA 912 Cb 0.29 -0.09 0.11 0.00 0.00 0.00 0.00 17.79 18.09 3i3b h ALA 912 CO 0.01 0.71 0.39 0.00 0.00 0.00 0.00 179.25 180.35 3i3b s ALA 913 N -3.46 2.43 0.07 0.00 0.00 -0.96 -5.01 121.76 114.83 3i3b s ALA 913 Ca -0.00 0.66 0.07 0.00 0.00 0.00 0.00 51.96 52.69 3i3b s ALA 913 Cb 0.11 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 3i3b s ALA 913 CO 0.74 -1.33 -0.20 0.00 0.00 0.00 0.00 175.76 174.97 3i3b s PHE 915 N -1.01 3.51 -0.01 0.00 5.36 -1.25 -1.39 117.98 123.18 3i3b s PHE 915 Ca 0.06 1.38 -0.11 0.00 -0.96 0.00 0.00 56.93 57.30 3i3b s PHE 915 Cb -0.09 -3.02 0.04 0.00 -0.34 0.00 0.00 43.02 39.61 3i3b s PHE 915 CO 0.03 -0.13 0.49 -3.47 -1.46 0.00 0.00 175.22 170.68 3i3b n ASP 916 N 4.68 -0.45 -4.52 6.13 -0.08 -0.43 -4.90 116.55 116.98 3i3b n ASP 916 Ca 0.04 -1.09 -0.43 0.00 -1.51 0.00 0.00 54.79 51.81 3i3b n ASP 916 Cb 0.50 0.69 -0.07 0.00 2.34 0.00 0.00 41.12 44.58 3i3b n ASP 916 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 3i3b s ARG 917 N -2.00 3.30 0.03 -0.67 6.06 -1.26 -1.53 118.95 122.88 3i3b s ARG 917 Ca 0.12 -0.38 0.03 0.00 -2.50 0.00 0.00 55.73 53.00 3i3b s ARG 917 Cb -0.00 -3.93 -0.04 0.00 0.06 0.00 0.00 34.95 31.04 3i3b s ARG 917 CO -0.00 -0.95 -0.02 -1.58 -2.50 0.00 0.00 175.30 170.25 3i3b s TRP 918 N 2.69 2.99 -0.20 5.12 0.52 0.78 -4.97 118.94 125.87 3i3b s TRP 918 Ca 0.21 0.01 -0.04 0.00 0.02 0.00 0.00 56.10 56.30 3i3b s TRP 918 Cb -0.15 -1.60 0.09 0.00 -1.15 0.00 0.00 33.47 30.67 3i3b s TRP 918 CO 0.18 0.44 0.23 0.34 0.02 0.00 0.00 176.95 178.17 3i3b s ASP 919 N -1.79 1.20 0.13 2.95 -1.08 -1.26 -0.91 116.67 115.91 3i3b s ASP 919 Ca 0.21 -0.12 0.02 0.00 -0.52 0.00 0.00 52.55 52.14 3i3b s ASP 919 Cb -0.11 0.46 -0.04 0.00 -1.46 0.00 0.00 42.92 41.76 3i3b s ASP 919 CO 0.12 -0.32 -0.05 -0.76 0.52 0.00 0.00 175.17 174.69 3i3b s LEU 920 N 2.35 2.38 0.60 -1.34 1.43 -0.80 -4.96 118.68 118.34 3i3b s LEU 920 Ca 0.07 -1.06 -0.17 0.00 -1.03 0.00 0.00 54.13 51.93 3i3b s LEU 920 Cb -0.15 -0.12 -0.03 0.00 0.03 0.00 0.00 46.19 45.91 3i3b s LEU 920 CO -0.12 -0.47 1.12 -2.16 0.23 0.00 0.00 176.35 174.95 3i3b s PRO 921 N -3.84 3.09 0.28 1.29 0.04 -1.26 -0.52 135.00 134.07 3i3b s PRO 921 Ca 0.17 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.73 3i3b s PRO 921 Cb 0.05 -1.98 0.63 0.00 0.04 0.00 0.00 34.50 33.24 3i3b s PRO 921 CO -0.01 -1.04 1.72 1.25 0.04 0.00 0.00 177.00 178.96 3i3b h LEU 922 N 0.64 0.38 -1.40 -3.56 5.85 -1.15 -2.16 115.31 113.91 3i3b h LEU 922 Ca -0.48 0.13 0.14 0.00 0.84 0.00 0.00 57.88 58.51 3i3b h LEU 922 Cb 1.25 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.31 3i3b h LEU 922 CO 0.56 0.08 0.54 0.77 -0.34 0.00 0.00 178.44 180.05 3i3b h SER 923 N 0.48 0.55 0.56 1.25 4.64 -1.91 -0.68 113.55 118.43 3i3b h SER 923 Ca 0.51 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3i3b h SER 923 Cb 0.87 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3i3b h SER 923 CO -0.46 0.29 0.00 0.47 -0.87 0.00 0.00 176.83 176.26 3i3b n ASP 924 N -4.52 0.39 -0.42 4.97 9.92 -0.81 -1.93 116.55 124.15 3i3b n ASP 924 Ca 0.16 0.61 0.09 0.00 -0.53 0.00 0.00 54.79 55.12 3i3b n ASP 924 Cb 0.48 -0.69 0.37 0.00 -0.64 0.00 0.00 41.12 40.64 3i3b n ASP 924 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 3i3b n MET 925 N -1.95 1.54 -4.97 -1.24 2.81 -0.26 -4.71 117.12 108.35 3i3b n MET 925 Ca 0.02 -0.82 -0.31 0.00 -1.81 0.00 0.00 57.70 54.78 3i3b n MET 925 Cb 0.18 -1.34 -0.17 0.00 -0.71 0.00 0.00 33.22 31.19 3i3b n MET 925 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3i3b s TYR 926 N -1.81 2.37 -0.37 2.03 5.04 -0.81 -4.40 117.35 119.40 3i3b s TYR 926 Ca 0.29 -1.02 -0.12 0.00 -2.44 0.00 0.00 57.07 53.77 3i3b s TYR 926 Cb 0.15 -1.61 0.01 0.00 0.35 0.00 0.00 41.96 40.85 3i3b s TYR 926 CO 0.23 -0.44 0.23 0.99 -1.34 0.00 0.00 175.55 175.22 3i3b s THR 927 N 0.53 4.95 -0.05 4.34 2.01 -1.26 -4.96 115.64 121.20 3i3b s THR 927 Ca -0.15 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 3i3b s THR 927 Cb -0.17 -3.67 -0.08 0.00 0.01 0.00 0.00 72.50 68.59 3i3b s THR 927 CO 0.05 -0.16 1.47 -0.81 -0.69 0.00 0.00 174.62 174.49 3i3b n PRO 928 N 5.07 0.66 -1.73 4.92 -0.04 -1.26 -4.87 135.00 137.75 3i3b n PRO 928 Ca -0.12 -0.37 -0.42 0.00 -0.04 0.00 0.00 63.50 62.55 3i3b n PRO 928 Cb 0.48 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 3i3b n PRO 928 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i3b n TYR 929 N 3.00 2.79 -0.23 0.54 4.01 -1.26 -4.86 117.16 121.15 3i3b n TYR 929 Ca 0.14 0.20 0.02 0.00 -0.16 0.00 0.00 57.90 58.10 3i3b n TYR 929 Cb 0.26 -2.61 0.14 0.00 -0.31 0.00 0.00 39.34 36.82 3i3b n TYR 929 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3i3b h VAL 930 N 3.47 0.76 -3.59 -0.72 2.07 -1.96 -3.28 116.25 113.00 3i3b h VAL 930 Ca -0.46 -0.17 -0.68 0.00 0.82 0.00 0.00 66.70 66.22 3i3b h VAL 930 Cb 1.22 0.23 -0.18 0.00 -1.52 0.00 0.00 31.29 31.04 3i3b h VAL 930 CO 0.84 0.09 -0.22 0.12 0.02 0.00 0.00 177.57 178.41 3i3b s PHE 931 N -6.06 3.19 0.48 1.57 5.36 -1.26 -1.08 117.98 120.17 3i3b s PHE 931 Ca -0.13 -0.20 -0.24 0.00 -0.96 0.00 0.00 56.93 55.40 3i3b s PHE 931 Cb 0.18 -2.81 -0.07 0.00 -0.34 0.00 0.00 43.02 39.98 3i3b s PHE 931 CO 0.76 -0.59 1.41 -2.14 -1.46 0.00 0.00 175.22 173.20 3i3b s PRO 932 N 2.11 3.54 0.18 10.12 0.02 -1.24 -4.97 135.00 144.76 3i3b s PRO 932 Ca 0.12 2.37 -0.21 0.00 0.02 0.00 0.00 61.00 63.30 3i3b s PRO 932 Cb -0.17 -2.55 0.08 0.00 0.02 0.00 0.00 34.50 31.88 3i3b s PRO 932 CO 0.13 -0.91 1.02 -1.13 -0.33 0.00 0.00 177.00 175.78 3i3b n SER 933 N -0.41 -1.69 -4.68 2.53 3.41 -1.26 -4.73 113.62 106.79 3i3b n SER 933 Ca 0.06 -1.88 -0.44 0.00 -0.26 0.00 0.00 58.87 56.35 3i3b n SER 933 Cb 0.43 2.75 -0.02 0.00 -0.26 0.00 0.00 64.21 67.10 3i3b n SER 933 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i3b n GLU 934 N -0.72 2.09 -3.82 4.33 4.07 -0.33 -4.93 120.64 121.33 3i3b n GLU 934 Ca -0.02 0.74 -0.07 0.00 -0.06 0.00 0.00 57.16 57.75 3i3b n GLU 934 Cb 0.57 -2.40 -0.02 0.00 -0.06 0.00 0.00 31.44 29.53 3i3b n GLU 934 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3i3b s ASN 935 N 0.27 -0.27 0.00 4.31 2.20 -1.26 -4.91 114.94 115.28 3i3b s ASN 935 Ca 0.67 -0.55 0.00 0.00 -0.94 0.00 0.00 52.86 52.04 3i3b s ASN 935 Cb -0.63 0.70 0.00 0.00 -2.00 0.00 0.00 41.25 39.32 3i3b s ASN 935 CO 0.50 -1.28 0.00 0.61 -2.94 0.00 0.00 177.10 173.99 3i3b n GLY 936 N -0.45 0.54 3.72 0.45 0.00 -1.26 -4.83 105.19 103.36 3i3b n GLY 936 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 3i3b n GLY 936 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i3b s LEU 937 N 0.00 3.43 -0.04 0.99 2.96 -1.26 -4.53 118.68 120.24 3i3b s LEU 937 Ca 0.00 2.55 -0.01 0.00 -0.22 0.00 0.00 54.13 56.45 3i3b s LEU 937 Cb 0.00 -4.61 0.03 0.00 0.50 0.00 0.00 46.19 42.11 3i3b s LEU 937 CO 0.00 -2.24 0.06 -0.13 -1.32 0.00 0.00 176.35 172.71 3i3b s ARG 938 N -3.63 -0.05 0.58 1.98 3.00 -0.23 -1.00 118.95 119.60 3i3b s ARG 938 Ca 0.80 0.32 0.09 0.00 0.00 0.00 0.00 55.73 56.93 3i3b s ARG 938 Cb -0.35 -0.39 0.09 0.00 0.00 0.00 0.00 34.95 34.29 3i3b s ARG 938 CO 0.43 -0.27 0.80 0.00 0.00 0.00 0.00 175.30 176.26 3i3b n GLY 940 N -2.27 -0.50 3.70 0.00 0.00 -1.21 -1.82 105.19 103.09 3i3b n GLY 940 Ca 0.15 0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3i3b n GLY 940 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3b s THR 941 N -2.95 5.09 -0.05 2.61 2.01 -0.54 -3.93 115.64 117.89 3i3b s THR 941 Ca 0.27 1.19 0.20 0.00 0.31 0.00 0.00 61.69 63.66 3i3b s THR 941 Cb -0.14 -3.93 -0.30 0.00 0.01 0.00 0.00 72.50 68.14 3i3b s THR 941 CO 0.34 0.24 0.40 0.54 -0.69 0.00 0.00 174.62 175.44 3i3b n ARG 942 N 4.08 0.65 -3.74 4.92 5.12 -0.10 -1.33 116.66 126.27 3i3b n ARG 942 Ca -0.03 -0.16 -0.12 0.00 -1.93 0.00 0.00 57.85 55.60 3i3b n ARG 942 Cb 0.51 -1.48 -0.11 0.00 -1.16 0.00 0.00 32.46 30.22 3i3b n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3i3b s GLU 943 N -3.29 0.38 -0.03 5.56 2.12 -1.16 -1.83 118.70 120.44 3i3b s GLU 943 Ca -0.08 0.57 0.02 0.00 0.36 0.00 0.00 54.97 55.84 3i3b s GLU 943 Cb 0.12 0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.62 3i3b s GLU 943 CO 0.83 -0.09 -0.09 -1.17 -0.54 0.00 0.00 175.26 174.20 3i3b s LEU 944 N 0.62 1.74 -0.04 2.70 2.96 -0.29 -0.65 118.68 125.71 3i3b s LEU 944 Ca -0.04 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 3i3b s LEU 944 Cb -0.05 -0.59 0.00 0.00 0.50 0.00 0.00 46.19 46.05 3i3b s LEU 944 CO -0.04 0.06 -0.14 0.20 -1.32 0.00 0.00 176.35 175.10 3i3b s ASN 945 N 0.30 1.86 -0.27 3.68 0.01 0.28 -1.17 114.94 119.63 3i3b s ASN 945 Ca -0.05 -0.30 -0.04 0.00 -0.71 0.00 0.00 52.86 51.76 3i3b s ASN 945 Cb -0.10 -0.59 0.15 0.00 0.41 0.00 0.00 41.25 41.12 3i3b s ASN 945 CO 0.01 0.11 0.51 -0.47 -1.51 0.00 0.00 177.10 175.75 3i3b s TYR 946 N 0.21 -1.20 0.00 2.20 5.04 -0.91 -1.68 117.35 121.01 3i3b s TYR 946 Ca -0.06 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 3i3b s TYR 946 Cb -0.12 0.40 0.00 0.00 0.35 0.00 0.00 41.96 42.59 3i3b s TYR 946 CO 0.02 -0.73 0.00 0.41 -1.34 0.00 0.00 175.55 173.91 3i3b n GLY 947 N 5.41 2.91 0.20 8.97 0.00 -1.26 -1.58 105.19 119.84 3i3b n GLY 947 Ca -0.05 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.85 3i3b n GLY 947 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i3b n PRO 948 N 13.62 0.83 -3.07 1.61 -0.04 -1.26 -4.89 135.00 141.81 3i3b n PRO 948 Ca 0.00 -0.40 -0.32 0.00 -0.04 0.00 0.00 63.50 62.73 3i3b n PRO 948 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 3i3b n PRO 948 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3i3b s HIS 949 N -2.45 3.38 -0.15 0.54 3.76 -0.61 0.02 115.29 119.79 3i3b s HIS 949 Ca 0.28 1.21 -0.07 0.00 -0.15 0.00 0.00 55.06 56.32 3i3b s HIS 949 Cb 0.20 -2.54 0.06 0.00 1.11 0.00 0.00 32.58 31.41 3i3b s HIS 949 CO 0.48 0.05 0.35 -1.14 -0.85 0.00 0.00 174.74 173.63 3i3b s GLN 950 N -3.14 0.31 -0.06 1.40 0.74 -0.66 -2.15 119.66 116.11 3i3b s GLN 950 Ca 0.54 0.71 0.05 0.00 0.05 0.00 0.00 55.36 56.72 3i3b s GLN 950 Cb -0.10 -0.04 -0.01 0.00 1.10 0.00 0.00 33.01 33.96 3i3b s GLN 950 CO 0.19 -0.17 -0.22 -1.58 -0.55 0.00 0.00 175.29 172.96 3i3b s TRP 951 N 1.48 2.50 0.08 1.67 0.51 -0.31 -1.69 118.94 123.17 3i3b s TRP 951 Ca -0.08 -0.58 0.06 0.00 -2.12 0.00 0.00 56.10 53.37 3i3b s TRP 951 Cb -0.09 -1.61 -0.03 0.00 -0.81 0.00 0.00 33.47 30.93 3i3b s TRP 951 CO -0.11 -0.12 -0.16 1.03 -0.51 0.00 0.00 176.95 177.07 3i3b s ARG 952 N -0.28 0.92 0.00 4.98 0.52 -0.12 -1.13 118.95 123.83 3i3b s ARG 952 Ca 0.00 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.22 3i3b s ARG 952 Cb -0.13 -1.00 0.00 0.00 0.52 0.00 0.00 34.95 34.34 3i3b s ARG 952 CO 0.03 0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.98 3i3b n GLY 953 N 1.30 -0.25 2.59 -3.53 0.00 -0.76 -0.80 105.19 103.74 3i3b n GLY 953 Ca -0.20 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 3i3b n GLY 953 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i3b s ASP 954 N -4.00 0.44 0.31 1.61 2.15 -1.25 -4.04 116.67 111.91 3i3b s ASP 954 Ca 0.00 -2.32 0.03 0.00 0.43 0.00 0.00 52.55 50.69 3i3b s ASP 954 Cb 0.00 0.53 -0.01 0.00 -0.30 0.00 0.00 42.92 43.14 3i3b s ASP 954 CO 0.00 -0.15 0.11 2.22 -0.17 0.00 0.00 175.17 177.17 3i3b n PHE 955 N 3.18 0.14 -4.36 -5.34 1.16 -0.44 -4.88 117.46 106.92 3i3b n PHE 955 Ca 0.22 -1.98 -0.27 0.00 -1.87 0.00 0.00 57.45 53.55 3i3b n PHE 955 Cb 0.50 -0.02 -0.13 0.00 -1.61 0.00 0.00 39.48 38.22 3i3b n PHE 955 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3i3b s GLN 956 N -3.19 1.29 0.09 3.97 -1.52 0.56 -1.47 119.66 119.38 3i3b s GLN 956 Ca 0.15 -1.25 -0.22 0.00 -1.95 0.00 0.00 55.36 52.09 3i3b s GLN 956 Cb 0.01 -1.67 0.06 0.00 -0.22 0.00 0.00 33.01 31.18 3i3b s GLN 956 CO 0.11 0.39 0.54 -0.59 -0.25 0.00 0.00 175.29 175.49 3i3b s PHE 957 N -1.09 -0.44 0.03 0.91 -0.71 -0.68 0.46 117.98 116.45 3i3b s PHE 957 Ca 0.10 0.37 0.01 0.00 -1.04 0.00 0.00 56.93 56.38 3i3b s PHE 957 Cb -0.10 0.40 -0.02 0.00 -1.21 0.00 0.00 43.02 42.09 3i3b s PHE 957 CO 0.05 -0.72 -0.06 0.54 -1.34 0.00 0.00 175.22 173.69 3i3b s ASN 958 N -2.32 0.64 -0.10 1.98 2.20 -0.86 -1.07 114.94 115.42 3i3b s ASN 958 Ca -0.02 -0.52 -0.05 0.00 -0.94 0.00 0.00 52.86 51.33 3i3b s ASN 958 Cb -0.00 0.06 0.05 0.00 -2.00 0.00 0.00 41.25 39.35 3i3b s ASN 958 CO -0.06 -0.23 0.23 -0.51 -2.94 0.00 0.00 177.10 173.58 3i3b s ILE 959 N -1.38 -0.04 0.15 0.54 2.07 -1.26 -1.66 121.20 119.62 3i3b s ILE 959 Ca -0.12 0.16 -0.14 0.00 -1.41 0.00 0.00 60.65 59.14 3i3b s ILE 959 Cb -0.10 -0.36 0.05 0.00 0.13 0.00 0.00 42.46 42.19 3i3b s ILE 959 CO -0.00 0.06 0.68 -1.54 -1.91 0.00 0.00 174.94 172.23 3i3b n SER 960 N 4.24 -1.26 -0.89 4.50 3.41 -0.65 -4.58 113.62 118.39 3i3b n SER 960 Ca -0.25 -1.70 0.08 0.00 -0.26 0.00 0.00 58.87 56.74 3i3b n SER 960 Cb 0.53 2.05 0.23 0.00 -0.26 0.00 0.00 64.21 66.76 3i3b n SER 960 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i3b n ARG 961 N -0.47 2.13 -4.83 4.33 5.12 -1.26 0.20 116.66 121.87 3i3b n ARG 961 Ca -0.02 -1.74 -0.31 0.00 -1.93 0.00 0.00 57.85 53.84 3i3b n ARG 961 Cb 0.40 -1.39 -0.17 0.00 -1.16 0.00 0.00 32.46 30.14 3i3b n ARG 961 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3i3b s TYR 962 N -1.40 2.49 0.60 -1.55 2.02 -1.26 -0.70 117.35 117.56 3i3b s TYR 962 Ca 0.33 -1.15 -0.13 0.00 -0.37 0.00 0.00 57.07 55.75 3i3b s TYR 962 Cb 0.18 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 3i3b s TYR 962 CO 0.23 -0.51 1.03 -1.54 -1.57 0.00 0.00 175.55 173.19 3i3b s SER 963 N 0.66 6.12 0.38 2.29 1.04 -1.26 -4.83 113.70 118.11 3i3b s SER 963 Ca -0.12 1.54 0.05 0.00 0.48 0.00 0.00 55.95 57.90 3i3b s SER 963 Cb -0.16 -2.49 0.76 0.00 0.10 0.00 0.00 66.02 64.23 3i3b s SER 963 CO 0.02 -0.94 2.04 1.56 0.98 0.00 0.00 173.24 176.90 3i3b h GLN 964 N -0.00 0.65 -0.11 4.02 1.08 -1.99 -1.11 115.11 117.65 3i3b h GLN 964 Ca -0.45 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 56.70 3i3b h GLN 964 Cb 1.20 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 28.48 3i3b h GLN 964 CO 0.60 0.44 0.02 0.37 -0.95 0.00 0.00 178.83 179.32 3i3b h GLN 965 N 0.67 0.19 -0.69 1.46 4.15 -1.99 -1.89 115.11 117.00 3i3b h GLN 965 Ca 0.18 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 3i3b h GLN 965 Cb -0.06 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 3i3b h GLN 965 CO -0.04 0.37 0.31 0.37 -1.93 0.00 0.00 178.83 177.91 3i3b h GLN 966 N -0.03 1.01 -0.63 1.69 4.15 -1.83 -2.05 115.11 117.42 3i3b h GLN 966 Ca 0.04 -0.17 0.04 0.00 0.77 0.00 0.00 58.65 59.33 3i3b h GLN 966 Cb 0.27 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.74 3i3b h GLN 966 CO 0.00 0.82 0.37 -0.07 -1.93 0.00 0.00 178.83 178.02 3i3b h LEU 967 N 0.97 0.57 -0.00 -2.39 3.38 -1.05 -0.43 115.31 116.35 3i3b h LEU 967 Ca 0.23 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3i3b h LEU 967 Cb 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3i3b h LEU 967 CO -0.02 0.39 0.00 1.15 0.09 0.00 0.00 178.44 180.04 3i3b n MET 968 N -4.76 0.05 -0.00 1.13 0.00 -0.73 -3.23 117.12 109.58 3i3b n MET 968 Ca 0.07 0.05 0.10 0.00 0.00 0.00 0.00 57.70 57.91 3i3b n MET 968 Cb 0.12 -1.56 -0.12 0.00 0.00 0.00 0.00 33.22 31.66 3i3b n MET 968 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3i3b n GLU 969 N -1.65 0.37 -4.01 3.17 1.02 -0.78 -4.91 120.64 113.85 3i3b n GLU 969 Ca 0.07 -0.02 -0.35 0.00 -0.02 0.00 0.00 57.16 56.84 3i3b n GLU 969 Cb 0.35 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 30.21 3i3b n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3i3b s THR 970 N -2.97 4.63 0.04 2.62 2.01 -0.24 -5.01 115.64 116.72 3i3b s THR 970 Ca 0.06 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 3i3b s THR 970 Cb 0.15 -3.09 -0.27 0.00 0.01 0.00 0.00 72.50 69.30 3i3b s THR 970 CO 0.83 0.44 1.00 0.77 -0.69 0.00 0.00 174.62 176.98 3i3b h SER 971 N 6.94 0.32 -4.47 3.53 4.64 -1.90 -3.38 113.55 119.22 3i3b h SER 971 Ca -0.36 -0.40 -0.67 0.00 -0.47 0.00 0.00 61.79 59.89 3i3b h SER 971 Cb 1.17 -0.10 -0.29 0.00 -0.31 0.00 0.00 62.40 62.87 3i3b h SER 971 CO 0.67 1.32 -0.88 -1.00 -0.87 0.00 0.00 176.83 176.08 3i3b s HIS 972 N -2.64 2.19 0.47 4.77 3.76 -1.26 -4.14 115.29 118.43 3i3b s HIS 972 Ca -0.05 -0.41 0.12 0.00 -0.15 0.00 0.00 55.06 54.56 3i3b s HIS 972 Cb 0.07 -1.38 1.07 0.00 1.11 0.00 0.00 32.58 33.45 3i3b s HIS 972 CO 0.86 0.01 2.10 0.07 -0.85 0.00 0.00 174.74 176.93 3i3b h ARG 973 N 5.29 0.27 0.00 1.40 0.11 -1.32 -1.95 114.38 118.18 3i3b h ARG 973 Ca -0.43 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.63 3i3b h ARG 973 Cb 1.13 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.15 3i3b h ARG 973 CO 0.46 0.18 0.00 -2.39 0.10 0.00 0.00 179.97 178.32 3i3b n HIS 974 N -4.50 0.00 1.07 4.08 1.44 -1.26 -2.22 115.22 113.82 3i3b n HIS 974 Ca 0.01 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 3i3b n HIS 974 Cb 0.10 -0.41 0.10 0.00 0.12 0.00 0.00 29.99 29.89 3i3b n HIS 974 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3i3b n LEU 975 N -1.41 1.71 -4.77 2.39 4.77 -0.73 -4.94 117.00 114.01 3i3b n LEU 975 Ca 0.05 -0.61 -0.39 0.00 -0.03 0.00 0.00 56.01 55.04 3i3b n LEU 975 Cb 0.16 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3i3b n LEU 975 CO 0.13 0.32 0.84 -0.76 -1.33 0.00 0.00 177.39 176.59 3i3b s LEU 976 N -2.51 4.31 -0.05 2.23 1.43 -0.94 -5.04 118.68 118.11 3i3b s LEU 976 Ca 0.20 2.35 0.04 0.00 -1.03 0.00 0.00 54.13 55.68 3i3b s LEU 976 Cb 0.18 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.52 3i3b s LEU 976 CO 0.57 -0.50 -0.15 -1.38 0.23 0.00 0.00 176.35 175.12 3i3b s HIS 977 N -1.33 1.56 0.20 0.29 -3.43 -1.26 -5.10 115.29 106.22 3i3b s HIS 977 Ca 0.53 -0.47 -0.32 0.00 -0.80 0.00 0.00 55.06 53.99 3i3b s HIS 977 Cb -0.31 -1.07 -0.12 0.00 -1.43 0.00 0.00 32.58 29.64 3i3b s HIS 977 CO 0.40 -0.18 1.72 0.00 -2.00 0.00 0.00 174.74 174.68 3i3b n ALA 978 N 3.30 2.66 -2.07 -1.38 0.00 -1.26 -4.84 120.51 116.92 3i3b n ALA 978 Ca -0.19 0.40 -0.26 0.00 0.00 0.00 0.00 53.44 53.39 3i3b n ALA 978 Cb 0.53 -2.51 0.04 0.00 0.00 0.00 0.00 19.45 17.51 3i3b n ALA 978 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i3b s GLU 979 N 1.23 2.78 0.56 0.00 2.02 0.13 -5.02 118.70 120.39 3i3b s GLU 979 Ca 0.76 -0.15 -0.20 0.00 0.02 0.00 0.00 54.97 55.39 3i3b s GLU 979 Cb -0.52 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 3i3b s GLU 979 CO 0.33 -0.75 1.27 -2.00 0.02 0.00 0.00 175.26 174.13 3i3b s GLU 980 N -4.98 3.09 2.53 1.61 2.12 -1.26 -4.76 118.70 117.05 3i3b s GLU 980 Ca 0.55 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.89 3i3b s GLU 980 Cb -0.10 -2.12 0.00 0.00 0.26 0.00 0.00 34.13 32.17 3i3b s GLU 980 CO 0.44 -1.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.41 3i3b n GLY 981 N 0.65 0.07 3.08 -1.50 0.00 -1.26 -4.83 105.19 101.40 3i3b n GLY 981 Ca 0.12 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 3i3b n GLY 981 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i3b s THR 982 N 0.00 1.38 -0.12 2.61 2.01 0.49 -4.73 115.64 117.28 3i3b s THR 982 Ca 0.00 -0.63 -0.23 0.00 0.31 0.00 0.00 61.69 61.14 3i3b s THR 982 Cb 0.00 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 3i3b s THR 982 CO 0.00 0.41 0.69 0.26 -0.69 0.00 0.00 174.62 175.28 3i3b s TRP 983 N 0.48 3.49 -0.06 4.92 0.52 0.13 0.09 118.94 128.51 3i3b s TRP 983 Ca -0.14 1.14 0.05 0.00 0.02 0.00 0.00 56.10 57.17 3i3b s TRP 983 Cb -0.15 -2.82 -0.01 0.00 -1.15 0.00 0.00 33.47 29.33 3i3b s TRP 983 CO 0.05 -0.03 -0.22 -1.17 0.02 0.00 0.00 176.95 175.59 3i3b s LEU 984 N 1.32 2.23 -0.31 2.99 2.96 -0.39 -1.63 118.68 125.86 3i3b s LEU 984 Ca 0.34 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3i3b s LEU 984 Cb -0.17 -1.42 0.09 0.00 0.50 0.00 0.00 46.19 45.20 3i3b s LEU 984 CO 0.14 0.26 0.06 0.20 -1.32 0.00 0.00 176.35 175.70 3i3b s ASN 985 N -0.27 4.28 -0.29 3.68 0.01 -0.66 -2.10 114.94 119.58 3i3b s ASN 985 Ca -0.00 -1.77 -0.09 0.00 -0.71 0.00 0.00 52.86 50.30 3i3b s ASN 985 Cb -0.13 -1.20 -0.01 0.00 0.41 0.00 0.00 41.25 40.32 3i3b s ASN 985 CO 0.03 -0.38 0.12 -0.63 -1.51 0.00 0.00 177.10 174.73 3i3b s ILE 986 N 1.32 4.43 -0.03 0.60 1.01 -0.29 -2.03 121.20 126.20 3i3b s ILE 986 Ca 0.08 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3i3b s ILE 986 Cb -0.18 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 3i3b s ILE 986 CO -0.16 0.13 -0.07 -1.81 0.00 0.00 0.00 174.94 173.04 3i3b s ASP 987 N 1.60 4.63 0.07 3.58 1.01 0.17 -0.09 116.67 127.64 3i3b s ASP 987 Ca 0.05 -0.08 0.06 0.00 0.71 0.00 0.00 52.55 53.28 3i3b s ASP 987 Cb -0.17 -1.12 -0.23 0.00 1.01 0.00 0.00 42.92 42.41 3i3b s ASP 987 CO 0.05 0.32 1.09 1.23 0.21 0.00 0.00 175.17 178.08 3i3b h GLY 988 N 4.90 0.06 -5.10 0.21 0.00 -1.12 0.16 103.07 102.18 3i3b h GLY 988 Ca -0.49 -0.16 -0.16 0.00 0.00 0.00 0.00 47.33 46.52 3i3b h GLY 988 CO 0.53 0.14 -0.47 -1.36 0.00 0.00 0.00 176.54 175.38 3i3b s PHE 989 N -2.67 -0.12 -0.00 5.60 0.40 -0.93 -4.71 117.98 115.55 3i3b s PHE 989 Ca -0.02 0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.59 3i3b s PHE 989 Cb 0.09 0.03 -0.00 0.00 0.51 0.00 0.00 43.02 43.65 3i3b s PHE 989 CO 0.83 -0.19 -0.02 -1.58 0.70 0.00 0.00 175.22 174.96 3i3b s HIS 990 N -0.55 0.21 0.63 0.36 2.46 -1.26 -1.05 115.29 116.09 3i3b s HIS 990 Ca -0.06 -0.04 -0.16 0.00 0.47 0.00 0.00 55.06 55.27 3i3b s HIS 990 Cb -0.04 -0.14 -0.02 0.00 -0.13 0.00 0.00 32.58 32.25 3i3b s HIS 990 CO 0.01 -0.01 1.11 1.41 -2.47 0.00 0.00 174.74 174.79 3i3b s MET 991 N -0.01 2.97 0.95 2.88 1.75 0.11 -4.77 119.30 123.18 3i3b s MET 991 Ca 0.00 1.43 -0.11 0.00 -1.25 0.00 0.00 55.69 55.76 3i3b s MET 991 Cb -0.01 -1.97 0.16 0.00 2.84 0.00 0.00 34.83 35.85 3i3b s MET 991 CO -0.00 -1.12 1.09 0.20 -0.65 0.00 0.00 175.02 174.54 3i3b s GLY 992 N -2.39 1.62 0.03 2.11 0.00 -0.44 -4.73 107.32 103.52 3i3b s GLY 992 Ca 0.68 0.09 0.22 0.00 0.00 0.00 0.00 44.72 45.71 3i3b s GLY 992 CO 0.37 0.60 0.72 0.29 0.00 0.00 0.00 173.10 175.09 3i3b n ILE 993 N -4.16 0.16 -4.69 0.90 -5.35 -1.26 -4.95 119.36 100.00 3i3b n ILE 993 Ca 0.07 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 3i3b n ILE 993 Cb 0.54 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 3i3b n ILE 993 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i3b n GLY 994 N 1.28 0.41 0.00 3.28 0.00 -1.26 -4.76 105.19 104.14 3i3b n GLY 994 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3i3b n GLY 994 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3b n GLY 995 N 0.00 0.27 0.50 -0.02 0.00 -1.26 -0.12 105.19 104.57 3i3b n GLY 995 Ca 0.00 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.34 3i3b n GLY 995 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i3b h ASP 996 N 0.00 0.00 -5.01 1.61 3.32 -1.79 -1.42 116.42 113.13 3i3b h ASP 996 Ca 0.00 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.12 3i3b h ASP 996 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 3i3b h ASP 996 CO 0.00 0.00 0.32 1.51 -1.72 0.00 0.00 179.24 179.35 3i3b s ASP 997 N -4.98 -0.35 -0.21 6.45 1.47 -1.26 -3.97 116.67 113.82 3i3b s ASP 997 Ca -0.05 -0.30 0.14 0.00 1.18 0.00 0.00 52.55 53.53 3i3b s ASP 997 Cb 0.20 0.59 0.45 0.00 -0.34 0.00 0.00 42.92 43.82 3i3b s ASP 997 CO 0.71 -1.03 1.35 -1.20 0.68 0.00 0.00 175.17 175.68 3i3b n SER 998 N -0.41 2.80 -0.64 2.11 7.64 -1.26 -4.62 113.62 119.24 3i3b n SER 998 Ca -0.09 -3.39 0.04 0.00 1.01 0.00 0.00 58.87 56.44 3i3b n SER 998 Cb 0.62 -0.54 0.07 0.00 -1.01 0.00 0.00 64.21 63.34 3i3b n SER 998 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 3i3b n TRP 999 N -1.01 0.00 -3.57 1.43 2.14 -1.26 -2.85 117.44 112.32 3i3b n TRP 999 Ca 0.24 -0.57 -0.08 0.00 2.07 0.00 0.00 57.50 59.16 3i3b n TRP 999 Cb 0.85 -0.13 -0.04 0.00 -0.81 0.00 0.00 31.31 31.19 3i3b n TRP 999 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 3i3b s SER 1000N -2.00 -0.28 0.05 -0.67 1.04 -1.26 -4.83 113.70 105.74 3i3b s SER 1000Ca 0.21 0.19 -0.35 0.00 0.48 0.00 0.00 55.95 56.48 3i3b s SER 1000Cb 0.21 0.26 -0.14 0.00 0.10 0.00 0.00 66.02 66.45 3i3b s SER 1000CO -0.04 -0.35 1.61 -2.65 0.98 0.00 0.00 173.24 172.80 3i3b n PRO 1001N 0.33 1.85 0.00 4.02 -0.02 -1.26 -4.84 135.00 135.08 3i3b n PRO 1001Ca -0.07 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3i3b n PRO 1001Cb 0.59 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3i3b n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i3b n SER 1002N 4.16 0.72 -4.64 2.55 3.41 -1.26 -5.02 113.62 113.53 3i3b n SER 1002Ca 0.19 -1.30 -0.43 0.00 -0.26 0.00 0.00 58.87 57.07 3i3b n SER 1002Cb 0.25 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 3i3b n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i3b s VAL 1003N -0.30 4.49 0.74 -3.33 1.01 -1.26 -4.25 120.40 117.50 3i3b s VAL 1003Ca 0.00 1.74 -0.15 0.00 0.00 0.00 0.00 61.98 63.57 3i3b s VAL 1003Cb 0.00 -4.33 0.01 0.00 0.00 0.00 0.00 36.38 32.06 3i3b s VAL 1003CO 0.00 -0.38 0.93 -0.24 0.00 0.00 0.00 175.10 175.42 3i3b n SER 1004N 6.80 0.30 -0.22 3.32 2.88 -1.26 -4.85 113.62 120.59 3i3b n SER 1004Ca 0.12 0.64 -0.00 0.00 -1.33 0.00 0.00 58.87 58.30 3i3b n SER 1004Cb 0.47 -1.39 0.11 0.00 -0.75 0.00 0.00 64.21 62.64 3i3b n SER 1004CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i3b h ALA 1005N -0.39 0.85 0.00 -1.46 0.00 -1.96 -1.58 119.26 114.72 3i3b h ALA 1005Ca -0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3i3b h ALA 1005Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3i3b h ALA 1005CO 0.46 -0.10 0.00 -0.85 0.00 0.00 0.00 179.25 178.76 3i3b n GLU 1006N -4.91 0.11 -0.15 0.00 0.00 -1.26 -1.60 120.64 112.83 3i3b n GLU 1006Ca 0.09 0.21 0.04 0.00 0.00 0.00 0.00 57.16 57.51 3i3b n GLU 1006Cb 0.25 -1.50 0.12 0.00 0.00 0.00 0.00 31.44 30.31 3i3b n GLU 1006CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3i3b n PHE 1007N -1.28 0.36 -3.83 -1.84 3.72 -0.60 -4.97 117.46 109.02 3i3b n PHE 1007Ca 0.04 -0.56 -0.35 0.00 -0.05 0.00 0.00 57.45 56.53 3i3b n PHE 1007Cb 0.06 -0.07 -0.05 0.00 -0.94 0.00 0.00 39.48 38.48 3i3b n PHE 1007CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3i3b s GLN 1008N -1.26 3.51 -1.27 -1.08 -0.21 -0.63 -1.32 119.66 117.41 3i3b s GLN 1008Ca 0.19 -0.13 -0.15 0.00 0.02 0.00 0.00 55.36 55.28 3i3b s GLN 1008Cb 0.11 -3.13 0.12 0.00 1.00 0.00 0.00 33.01 31.12 3i3b s GLN 1008CO 0.10 0.70 1.64 1.28 -2.12 0.00 0.00 175.29 176.89 3i3b n LEU 1009N 1.39 5.26 -0.58 2.90 4.77 -1.26 -4.67 117.00 124.81 3i3b n LEU 1009Ca -0.14 -4.22 0.05 0.00 -0.03 0.00 0.00 56.01 51.68 3i3b n LEU 1009Cb 0.53 -1.67 0.13 0.00 -2.33 0.00 0.00 43.42 40.08 3i3b n LEU 1009CO 0.38 0.53 0.58 -1.54 -1.33 0.00 0.00 177.39 176.01 3i3b n SER 1010N 6.78 2.67 0.31 -1.43 3.41 -1.26 -4.40 113.62 119.70 3i3b n SER 1010Ca 0.43 -1.87 0.21 0.00 -0.26 0.00 0.00 58.87 57.38 3i3b n SER 1010Cb 0.44 -0.17 1.06 0.00 -0.26 0.00 0.00 64.21 65.28 3i3b n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3b h ALA 1011N 2.04 1.00 0.00 7.33 0.00 -1.98 -3.46 119.26 124.19 3i3b h ALA 1011Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i3b h ALA 1011Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i3b h ALA 1011CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3i3b n GLY 1012N -0.91 1.76 2.88 0.00 0.00 -1.26 -4.89 105.19 102.77 3i3b n GLY 1012Ca -0.02 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 3i3b n GLY 1012CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3b s ARG 1013N 0.00 0.87 0.04 1.61 0.52 -1.26 -0.52 118.95 120.21 3i3b s ARG 1013Ca 0.00 -0.10 0.07 0.00 -0.52 0.00 0.00 55.73 55.19 3i3b s ARG 1013Cb 0.00 -0.93 -0.03 0.00 0.52 0.00 0.00 34.95 34.52 3i3b s ARG 1013CO 0.00 -0.12 -0.21 0.71 0.02 0.00 0.00 175.30 175.70 3i3b s TYR 1014N 1.11 1.87 -0.02 -0.53 2.02 -0.02 -4.98 117.35 116.79 3i3b s TYR 1014Ca -0.08 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.27 3i3b s TYR 1014Cb -0.14 -1.11 -0.00 0.00 -0.40 0.00 0.00 41.96 40.30 3i3b s TYR 1014CO -0.01 0.09 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.39 3i3b s HIS 1015N -0.80 0.96 -0.05 2.71 5.65 -1.26 -0.65 115.29 121.85 3i3b s HIS 1015Ca 0.08 -0.21 -0.30 0.00 0.25 0.00 0.00 55.06 54.87 3i3b s HIS 1015Cb -0.09 -0.65 0.08 0.00 -1.18 0.00 0.00 32.58 30.73 3i3b s HIS 1015CO 0.02 -0.06 0.71 1.52 -0.65 0.00 0.00 174.74 176.28 3i3b s TYR 1016N -0.02 -0.62 0.05 3.88 1.13 -0.57 -5.03 117.35 116.17 3i3b s TYR 1016Ca 0.00 1.01 0.03 0.00 -1.41 0.00 0.00 57.07 56.70 3i3b s TYR 1016Cb -0.06 0.43 -0.03 0.00 -1.10 0.00 0.00 41.96 41.20 3i3b s TYR 1016CO 0.00 -0.60 -0.09 1.14 -2.51 0.00 0.00 175.55 173.49 3i3b s GLN 1017N -1.38 0.62 0.03 -3.49 -2.07 -1.26 -0.71 119.66 111.40 3i3b s GLN 1017Ca -0.09 -0.85 -0.00 0.00 -1.82 0.00 0.00 55.36 52.60 3i3b s GLN 1017Cb -0.00 -0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 31.49 3i3b s GLN 1017CO 0.07 0.07 -0.03 -0.51 -1.32 0.00 0.00 175.29 173.57 3i3b s LEU 1018N -1.73 2.33 -0.15 2.60 1.43 0.08 -4.29 118.68 118.96 3i3b s LEU 1018Ca -0.07 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 3i3b s LEU 1018Cb -0.09 0.13 0.02 0.00 0.03 0.00 0.00 46.19 46.28 3i3b s LEU 1018CO 0.00 -0.41 -0.16 -0.69 0.23 0.00 0.00 176.35 175.33 3i3b s VAL 1019N -2.38 1.67 -0.18 -1.59 1.01 0.02 0.23 120.40 119.18 3i3b s VAL 1019Ca -0.07 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 3i3b s VAL 1019Cb -0.03 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3i3b s VAL 1019CO -0.04 0.48 -0.06 0.86 0.00 0.00 0.00 175.10 176.34 3i3b s TRP 1020N 1.32 2.95 0.32 5.22 -0.11 -0.12 -0.95 118.94 127.56 3i3b s TRP 1020Ca 0.02 -0.64 -0.07 0.00 1.22 0.00 0.00 56.10 56.62 3i3b s TRP 1020Cb -0.13 -2.00 0.01 0.00 -1.50 0.00 0.00 33.47 29.84 3i3b s TRP 1020CO -0.09 -0.30 0.51 0.00 -4.62 0.00 0.00 176.95 172.46 3i3b s GLN 1022N -3.24 3.22 0.00 0.00 0.74 -1.26 -1.65 119.66 117.47 3i3b s GLN 1022Ca 0.26 -0.53 0.00 0.00 0.05 0.00 0.00 55.36 55.14 3i3b s GLN 1022Cb -0.01 -2.92 0.00 0.00 1.10 0.00 0.00 33.01 31.18 3i3b s GLN 1022CO 0.16 0.59 0.08 1.63 -0.55 0.00 0.00 175.29 177.20