#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 -0.38 0.22 5.56 1.74 -1.26 -4.78 116.66 117.76 3i3b n ARG 14 Ca 0.00 0.11 0.16 0.00 -0.77 0.00 0.00 57.85 57.35 3i3b n ARG 14 Cb 0.00 -2.26 0.74 0.00 -1.02 0.00 0.00 32.46 29.92 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 -2.16 0.00 -0.06 0.55 3.32 -1.94 -2.27 116.42 113.86 3i3b h ASP 15 Ca -0.68 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.37 3i3b h ASP 15 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3i3b h ASP 15 CO 0.48 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.33 3i3b n TRP 16 N -2.63 0.08 -2.38 4.55 2.14 -1.26 -3.13 117.44 114.80 3i3b n TRP 16 Ca -0.01 -0.04 -0.07 0.00 2.07 0.00 0.00 57.50 59.46 3i3b n TRP 16 Cb 0.15 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 30.70 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 -0.40 2.14 -3.39 -2.67 1.02 -0.85 -0.23 120.64 116.25 3i3b n GLU 17 Ca 0.08 -3.52 -0.14 0.00 -0.02 0.00 0.00 57.16 53.57 3i3b n GLU 17 Cb 0.09 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 29.79 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 -3.44 1.01 0.00 1.62 2.47 -1.18 -4.70 114.94 110.71 3i3b s ASN 18 Ca 0.37 -0.29 0.10 0.00 0.42 0.00 0.00 52.86 53.46 3i3b s ASN 18 Cb 0.37 0.74 0.49 0.00 -1.45 0.00 0.00 41.25 41.40 3i3b s ASN 18 CO -0.03 -0.34 1.20 -0.81 -3.72 0.00 0.00 177.10 173.39 3i3b n PRO 19 N 5.33 0.14 0.21 0.43 -0.04 -1.26 -1.50 135.00 138.31 3i3b n PRO 19 Ca -0.03 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 3i3b n PRO 19 Cb 0.49 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.59 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 1.62 0.00 -7.67 0.55 0.00 -1.93 -3.39 103.07 92.25 3i3b h GLY 20 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3i3b h GLY 20 CO 0.00 0.00 -0.70 0.14 0.00 0.00 0.00 176.54 175.98 3i3b s VAL 21 N -3.18 2.42 -2.49 4.60 1.01 -0.56 -4.92 120.40 117.28 3i3b s VAL 21 Ca 0.06 -2.27 0.21 0.00 0.00 0.00 0.00 61.98 59.98 3i3b s VAL 21 Cb 0.05 -2.75 0.13 0.00 0.00 0.00 0.00 36.38 33.81 3i3b s VAL 21 CO 0.68 -0.58 1.14 0.35 0.00 0.00 0.00 175.10 176.69 3i3b n THR 22 N 4.31 0.00 0.00 3.92 -2.24 -1.26 -4.79 114.28 114.21 3i3b n THR 22 Ca 0.02 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3i3b n THR 22 Cb 0.42 1.40 0.00 0.00 -2.10 0.00 0.00 70.33 70.05 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 0.93 0.00 -3.69 -0.78 -0.00 -1.26 -1.51 117.38 111.07 3i3b n GLN 23 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 56.98 3i3b n GLN 23 Cb 0.51 0.00 -0.13 0.00 -0.00 0.00 0.00 30.24 30.62 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 -0.04 -1.16 2.61 1.43 -0.18 -4.87 118.68 116.47 3i3b s LEU 24 Ca 0.00 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 3i3b s LEU 24 Cb 0.00 0.66 0.00 0.00 0.03 0.00 0.00 46.19 46.88 3i3b s LEU 24 CO 0.00 -0.22 0.00 0.59 0.23 0.00 0.00 176.35 176.95 3i3b n ASN 25 N 4.98 -4.73 -4.75 2.29 3.02 -1.26 -1.10 115.26 113.71 3i3b n ASN 25 Ca -0.12 0.27 -0.40 0.00 -0.03 0.00 0.00 54.58 54.30 3i3b n ASN 25 Cb 0.51 -3.19 -0.06 0.00 -0.61 0.00 0.00 39.78 36.43 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 -2.79 4.82 0.67 3.52 3.52 -1.26 -4.63 118.95 122.80 3i3b s ARG 26 Ca 0.00 1.51 -0.11 0.00 -0.13 0.00 0.00 55.73 56.99 3i3b s ARG 26 Cb 0.00 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 30.09 3i3b s ARG 26 CO 0.00 0.45 1.05 -0.51 -0.81 0.00 0.00 175.30 175.48 3i3b s LEU 27 N -1.00 3.18 0.52 -0.88 1.43 -0.12 -5.01 118.68 116.82 3i3b s LEU 27 Ca 0.42 1.59 -0.22 0.00 -1.03 0.00 0.00 54.13 54.89 3i3b s LEU 27 Cb -0.26 -4.49 -0.05 0.00 0.03 0.00 0.00 46.19 41.41 3i3b s LEU 27 CO 0.32 -1.30 1.30 0.00 0.23 0.00 0.00 176.35 176.90 3i3b s ALA 28 N -3.03 2.85 0.65 4.21 0.00 -1.26 -4.68 121.76 120.49 3i3b s ALA 28 Ca 0.58 1.21 -0.13 0.00 0.00 0.00 0.00 51.96 53.62 3i3b s ALA 28 Cb -0.13 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 3i3b s ALA 28 CO 0.53 -1.17 1.06 0.00 0.00 0.00 0.00 175.76 176.18 3i3b s ALA 29 N -1.38 2.67 0.14 0.00 0.00 -1.26 -5.00 121.76 116.94 3i3b s ALA 29 Ca 0.70 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 52.68 3i3b s ALA 29 Cb -0.37 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.61 3i3b s ALA 29 CO 0.44 -1.06 1.02 -3.38 0.00 0.00 0.00 175.76 172.79 3i3b s HIS 30 N -2.71 -0.06 0.87 0.00 -3.43 -1.26 -4.89 115.29 103.81 3i3b s HIS 30 Ca 0.61 -0.26 -0.12 0.00 -0.80 0.00 0.00 55.06 54.50 3i3b s HIS 30 Cb -0.15 0.65 0.11 0.00 -1.43 0.00 0.00 32.58 31.76 3i3b s HIS 30 CO 0.45 -0.79 1.09 -2.14 -2.00 0.00 0.00 174.74 171.36 3i3b s PRO 31 N -2.84 1.49 -0.03 -0.38 0.02 -1.11 -4.18 135.00 127.97 3i3b s PRO 31 Ca 0.15 0.75 -0.36 0.00 0.02 0.00 0.00 61.00 61.56 3i3b s PRO 31 Cb -0.01 -1.84 -0.15 0.00 0.02 0.00 0.00 34.50 32.52 3i3b s PRO 31 CO 0.03 -2.06 1.63 -2.30 -0.33 0.00 0.00 177.00 173.97 3i3b n PRO 32 N -3.75 1.64 -4.31 5.54 -0.02 -1.26 -4.98 135.00 127.85 3i3b n PRO 32 Ca 0.07 0.60 -0.26 0.00 -2.02 0.00 0.00 63.50 61.88 3i3b n PRO 32 Cb 0.56 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.61 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 2.25 2.59 0.00 6.00 0.08 -1.26 -4.79 117.98 122.86 3i3b s PHE 33 Ca 0.89 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.70 3i3b s PHE 33 Cb -0.85 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 3i3b s PHE 33 CO 0.51 0.53 0.00 0.00 -0.10 0.00 0.00 175.22 176.15 3i3b n ALA 34 N -0.03 0.00 -3.90 5.36 0.00 -1.26 -5.05 120.51 115.63 3i3b n ALA 34 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 3i3b n ALA 34 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 -1.99 -4.76 0.00 2.88 -1.26 -4.12 113.62 104.37 3i3b n SER 35 Ca 0.00 -1.04 -0.39 0.00 -1.33 0.00 0.00 58.87 56.11 3i3b n SER 35 Cb 0.00 -2.98 0.01 0.00 -0.75 0.00 0.00 64.21 60.48 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 2.66 -0.17 0.66 0.51 -0.70 -4.61 118.94 113.49 3i3b s TRP 36 Ca 0.18 1.38 0.17 0.00 -2.12 0.00 0.00 56.10 55.71 3i3b s TRP 36 Cb -0.07 -3.72 0.50 0.00 -0.81 0.00 0.00 33.47 29.37 3i3b s TRP 36 CO 0.89 -2.35 1.39 0.54 -0.51 0.00 0.00 176.95 176.92 3i3b n ARG 37 N -0.17 2.73 -3.68 4.98 5.12 -1.26 -0.20 116.66 124.18 3i3b n ARG 37 Ca 0.05 -2.82 -0.11 0.00 -1.93 0.00 0.00 57.85 53.05 3i3b n ARG 37 Cb 0.44 -1.81 -0.11 0.00 -1.16 0.00 0.00 32.46 29.82 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 -2.05 -0.14 0.27 0.55 3.84 -1.26 -4.97 114.94 111.18 3i3b s ASN 38 Ca 0.41 0.78 -0.00 0.00 0.21 0.00 0.00 52.86 54.26 3i3b s ASN 38 Cb 0.34 0.89 0.36 0.00 -0.55 0.00 0.00 41.25 42.29 3i3b s ASN 38 CO 0.08 -0.22 1.74 0.28 -2.79 0.00 0.00 177.10 176.20 3i3b h SER 39 N 7.82 0.66 -0.24 -4.21 0.02 -1.97 -2.66 113.55 112.97 3i3b h SER 39 Ca -0.24 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.44 3i3b h SER 39 Cb 1.13 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 3i3b h SER 39 CO 0.20 0.80 -0.15 -0.08 -1.14 0.00 0.00 176.83 176.45 3i3b h GLU 40 N 0.62 0.67 -0.34 3.45 4.57 -1.98 0.21 114.58 121.77 3i3b h GLU 40 Ca 0.11 -0.23 -0.10 0.00 -1.18 0.00 0.00 59.36 57.97 3i3b h GLU 40 Cb 0.54 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 3i3b h GLU 40 CO 0.03 0.79 -0.20 0.93 -1.18 0.00 0.00 179.01 179.38 3i3b h GLU 41 N 0.60 0.64 -0.36 1.92 4.39 -1.92 -0.79 114.58 119.06 3i3b h GLU 41 Ca 0.10 -0.23 -0.12 0.00 0.34 0.00 0.00 59.36 59.44 3i3b h GLU 41 Cb 0.61 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3i3b h GLU 41 CO 0.04 0.80 -0.26 0.00 -1.16 0.00 0.00 179.01 178.43 3i3b h ALA 42 N 1.22 0.52 -0.10 3.43 0.00 -1.05 -1.61 119.26 121.67 3i3b h ALA 42 Ca 0.09 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3i3b h ALA 42 Cb 0.65 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3i3b h ALA 42 CO 0.05 0.52 0.06 -0.09 0.00 0.00 0.00 179.25 179.79 3i3b h ARG 43 N 0.61 0.14 -0.01 0.00 2.43 -0.30 -2.67 114.38 114.58 3i3b h ARG 43 Ca 0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3i3b h ARG 43 Cb 0.83 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3i3b h ARG 43 CO 0.07 0.13 0.00 0.25 -1.51 0.00 0.00 179.97 178.91 3i3b n THR 44 N -4.99 0.01 -3.83 0.20 -2.24 -0.33 -4.91 114.28 98.18 3i3b n THR 44 Ca -0.05 -0.03 -0.28 0.00 -2.27 0.00 0.00 64.05 61.41 3i3b n THR 44 Cb 0.05 -0.32 0.04 0.00 -2.10 0.00 0.00 70.33 68.00 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 -0.79 -4.95 -4.93 3.42 2.03 -0.69 -4.99 116.55 105.66 3i3b n ASP 45 Ca 0.20 -0.73 -0.25 0.00 0.52 0.00 0.00 54.79 54.53 3i3b n ASP 45 Cb 0.12 -4.16 0.03 0.00 -0.72 0.00 0.00 41.12 36.38 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 -6.51 2.96 0.37 -0.67 0.52 -0.72 -5.02 118.95 109.88 3i3b s ARG 46 Ca 0.61 -0.16 -0.25 0.00 -0.52 0.00 0.00 55.73 55.40 3i3b s ARG 46 Cb -0.30 -2.36 -0.13 0.00 0.52 0.00 0.00 34.95 32.69 3i3b s ARG 46 CO 0.81 -0.57 0.80 -2.30 0.02 0.00 0.00 175.30 174.05 3i3b n PRO 47 N -2.43 0.95 -4.53 3.54 -0.02 -1.26 -4.84 135.00 126.41 3i3b n PRO 47 Ca 0.04 0.34 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 3i3b n PRO 47 Cb 0.58 -1.71 -0.13 0.00 -0.02 0.00 0.00 33.50 32.22 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 -0.80 4.55 0.24 2.55 0.15 -1.26 -4.97 113.70 114.16 3i3b s SER 48 Ca 0.62 -0.19 0.21 0.00 0.70 0.00 0.00 55.95 57.29 3i3b s SER 48 Cb -0.64 -1.72 0.95 0.00 -1.71 0.00 0.00 66.02 62.90 3i3b s SER 48 CO 0.58 0.17 1.63 0.00 1.20 0.00 0.00 173.24 176.82 3i3b n GLN 49 N 3.50 0.15 0.00 5.44 1.13 -1.26 -1.55 117.38 124.79 3i3b n GLN 49 Ca -0.18 0.49 0.13 0.00 -1.94 0.00 0.00 57.00 55.50 3i3b n GLN 49 Cb 0.53 -1.85 0.32 0.00 0.11 0.00 0.00 30.24 29.34 3i3b n GLN 49 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3i3b n GLN 50 N -2.14 1.18 -3.99 -1.09 3.00 -1.26 -4.69 117.38 108.39 3i3b n GLN 50 Ca 0.01 -0.78 -0.31 0.00 -0.01 0.00 0.00 57.00 55.91 3i3b n GLN 50 Cb 0.14 -1.48 -0.15 0.00 0.00 0.00 0.00 30.24 28.75 3i3b n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3i3b s LEU 51 N -2.36 4.52 -0.00 1.08 2.96 -0.59 -1.07 118.68 123.22 3i3b s LEU 51 Ca 0.26 -2.27 -0.08 0.00 -0.22 0.00 0.00 54.13 51.83 3i3b s LEU 51 Cb 0.19 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 45.26 3i3b s LEU 51 CO 0.48 -0.36 0.28 -0.13 -1.32 0.00 0.00 176.35 175.30 3i3b s ARG 52 N 0.75 3.61 -0.02 1.98 0.52 0.13 -4.71 118.95 121.21 3i3b s ARG 52 Ca 0.12 -0.01 -0.11 0.00 -0.52 0.00 0.00 55.73 55.20 3i3b s ARG 52 Cb -0.20 -3.10 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 3i3b s ARG 52 CO -0.08 0.66 0.33 0.45 0.02 0.00 0.00 175.30 176.69 3i3b s SER 53 N -1.55 6.66 -0.06 0.23 0.15 -1.26 -0.53 113.70 117.33 3i3b s SER 53 Ca 0.26 0.78 0.12 0.00 0.70 0.00 0.00 55.95 57.81 3i3b s SER 53 Cb -0.13 -2.18 0.36 0.00 -1.71 0.00 0.00 66.02 62.35 3i3b s SER 53 CO 0.14 0.32 1.29 0.18 1.20 0.00 0.00 173.24 176.37 3i3b n LEU 54 N 1.66 3.15 -4.74 3.45 4.77 0.11 -4.89 117.00 120.51 3i3b n LEU 54 Ca -0.14 -2.35 -0.33 0.00 -0.03 0.00 0.00 56.01 53.15 3i3b n LEU 54 Cb 0.53 -0.32 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 3i3b n LEU 54 CO 0.37 0.70 0.76 0.20 -1.33 0.00 0.00 177.39 178.08 3i3b s ASN 55 N -1.35 4.56 0.00 -1.43 0.01 -1.23 -4.85 114.94 110.66 3i3b s ASN 55 Ca 0.28 2.14 0.00 0.00 -0.71 0.00 0.00 52.86 54.57 3i3b s ASN 55 Cb 0.19 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.28 3i3b s ASN 55 CO 0.12 -2.01 0.00 0.61 -1.51 0.00 0.00 177.10 174.31 3i3b n GLY 56 N -0.15 0.61 3.69 0.66 0.00 -0.14 -4.99 105.19 104.87 3i3b n GLY 56 Ca 0.12 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.72 4.37 0.38 1.61 2.02 -1.26 -0.12 118.70 123.98 3i3b s GLU 57 Ca 0.00 0.98 0.05 0.00 0.02 0.00 0.00 54.97 56.02 3i3b s GLU 57 Cb 0.00 -3.52 -0.07 0.00 0.10 0.00 0.00 34.13 30.64 3i3b s GLU 57 CO 0.00 -0.15 0.03 -1.58 0.02 0.00 0.00 175.26 173.58 3i3b s TRP 58 N 1.53 2.27 -0.09 1.61 0.52 0.15 -4.92 118.94 120.01 3i3b s TRP 58 Ca 0.39 -0.80 -0.09 0.00 0.02 0.00 0.00 56.10 55.61 3i3b s TRP 58 Cb -0.17 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 3i3b s TRP 58 CO 0.16 0.26 0.21 1.03 0.02 0.00 0.00 176.95 178.63 3i3b s ARG 59 N -3.78 3.59 -0.06 4.98 1.81 -0.22 -0.32 118.95 124.95 3i3b s ARG 59 Ca 0.34 0.00 -0.04 0.00 -1.72 0.00 0.00 55.73 54.31 3i3b s ARG 59 Cb 0.09 -3.21 0.02 0.00 -0.45 0.00 0.00 34.95 31.41 3i3b s ARG 59 CO 0.16 0.73 0.14 0.12 -0.68 0.00 0.00 175.30 175.78 3i3b s PHE 60 N -0.97 -0.16 -0.01 -0.53 5.36 0.85 -1.82 117.98 120.70 3i3b s PHE 60 Ca 0.17 0.42 0.02 0.00 -0.96 0.00 0.00 56.93 56.57 3i3b s PHE 60 Cb -0.13 -0.01 -0.00 0.00 -0.34 0.00 0.00 43.02 42.54 3i3b s PHE 60 CO 0.06 -0.11 -0.06 0.00 -1.46 0.00 0.00 175.22 173.65 3i3b s ALA 61 N 0.56 0.48 -0.12 11.12 0.00 -0.89 -0.95 121.76 131.95 3i3b s ALA 61 Ca -0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.65 3i3b s ALA 61 Cb -0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 3i3b s ALA 61 CO -0.03 0.11 0.02 -0.46 0.00 0.00 0.00 175.76 175.41 3i3b s TRP 62 N -0.10 3.20 0.05 0.00 -0.00 -1.26 -0.81 118.94 120.02 3i3b s TRP 62 Ca 0.02 0.13 0.05 0.00 -0.00 0.00 0.00 56.10 56.29 3i3b s TRP 62 Cb -0.03 -1.88 -0.02 0.00 -0.00 0.00 0.00 33.47 31.54 3i3b s TRP 62 CO -0.00 0.36 -0.13 -0.06 -0.00 0.00 0.00 176.95 177.11 3i3b s PHE 63 N -0.46 1.16 0.28 5.86 0.08 0.58 -5.00 117.98 120.48 3i3b s PHE 63 Ca 0.09 -0.39 0.34 0.00 0.12 0.00 0.00 56.93 57.08 3i3b s PHE 63 Cb -0.12 -0.68 1.54 0.00 -0.57 0.00 0.00 43.02 43.20 3i3b s PHE 63 CO 0.02 0.03 2.06 -1.00 -0.10 0.00 0.00 175.22 176.23 3i3b h PRO 64 N 4.73 0.00 -2.68 0.24 0.13 -1.86 0.18 132.00 132.74 3i3b h PRO 64 Ca -0.38 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.76 3i3b h PRO 64 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 3i3b h PRO 64 CO 0.43 0.05 0.30 0.00 -0.23 0.00 0.00 178.00 178.55 3i3b s ALA 65 N -3.86 -1.69 0.46 -0.56 0.00 -1.24 -1.66 121.76 113.22 3i3b s ALA 65 Ca -0.01 0.74 0.32 0.00 0.00 0.00 0.00 51.96 53.01 3i3b s ALA 65 Cb 0.11 0.64 1.72 0.00 0.00 0.00 0.00 23.12 25.59 3i3b s ALA 65 CO 0.54 -0.70 2.16 -1.00 0.00 0.00 0.00 175.76 176.75 3i3b h PRO 66 N 2.09 0.00 0.00 0.00 0.13 -1.86 -1.84 132.00 130.52 3i3b h PRO 66 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 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 0.36 0.06 0.00 0.39 -0.23 0.00 0.00 178.00 178.58 3i3b n GLU 67 N -3.49 0.08 0.00 0.86 4.71 -1.26 -2.80 120.64 118.74 3i3b n GLU 67 Ca -0.02 0.16 0.13 0.00 -0.01 0.00 0.00 57.16 57.43 3i3b n GLU 67 Cb 0.18 -1.62 0.40 0.00 -1.01 0.00 0.00 31.44 29.39 3i3b n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i3b n ALA 68 N -1.60 2.87 -2.66 0.62 0.00 -0.69 -4.88 120.51 114.17 3i3b n ALA 68 Ca 0.05 -0.45 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 3i3b n ALA 68 Cb 0.31 -1.11 -0.02 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 -2.27 4.69 0.18 0.00 1.01 -1.12 -5.01 120.40 117.88 3i3b s VAL 69 Ca 0.30 2.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.98 3i3b s VAL 69 Cb 0.20 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 3i3b s VAL 69 CO 0.43 -0.10 1.30 -2.16 0.00 0.00 0.00 175.10 174.57 3i3b s PRO 70 N 2.73 4.39 0.42 2.72 0.04 -1.26 -4.92 135.00 139.12 3i3b s PRO 70 Ca 0.46 2.02 0.17 0.00 0.04 0.00 0.00 61.00 63.70 3i3b s PRO 70 Cb -0.17 -3.22 1.08 0.00 0.04 0.00 0.00 34.50 32.24 3i3b s PRO 70 CO 0.11 -0.26 1.87 1.49 0.04 0.00 0.00 177.00 180.25 3i3b h GLU 71 N 5.66 0.39 -0.22 4.56 4.81 -1.99 -0.68 114.58 127.12 3i3b h GLU 71 Ca -0.44 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.83 3i3b h GLU 71 Cb 1.21 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3i3b h GLU 71 CO 0.79 0.26 0.18 0.66 -0.73 0.00 0.00 179.01 180.17 3i3b h SER 72 N 0.40 0.00 -0.59 1.04 4.64 -1.92 -1.83 113.55 115.29 3i3b h SER 72 Ca 0.44 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.91 3i3b h SER 72 Cb 1.09 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 3i3b h SER 72 CO -0.16 0.00 0.41 -0.25 -0.87 0.00 0.00 176.83 175.96 3i3b h TRP 73 N 0.00 0.15 -0.23 4.77 7.01 -1.25 0.81 115.95 127.22 3i3b h TRP 73 Ca 0.10 0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.98 3i3b h TRP 73 Cb 0.47 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 3i3b h TRP 73 CO 0.00 0.06 -0.40 -0.07 -2.79 0.00 0.00 178.44 175.24 3i3b h LEU 74 N 0.13 0.57 0.10 0.65 3.38 -1.52 -3.28 115.31 115.35 3i3b h LEU 74 Ca 0.28 -0.25 -0.32 0.00 0.09 0.00 0.00 57.88 57.68 3i3b h LEU 74 Cb 0.93 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3i3b h LEU 74 CO -0.04 0.91 -1.67 -0.33 0.09 0.00 0.00 178.44 177.40 3i3b h GLU 75 N 0.45 0.22 -3.28 1.13 4.39 -1.28 -3.24 114.58 112.96 3i3b h GLU 75 Ca 0.04 -0.37 -0.02 0.00 0.34 0.00 0.00 59.36 59.35 3i3b h GLU 75 Cb 0.89 0.14 -0.11 0.00 -0.10 0.00 0.00 28.75 29.57 3i3b h GLU 75 CO 0.08 1.04 0.04 0.00 -1.16 0.00 0.00 179.01 179.01 3i3b n ASP 77 N -0.33 3.14 -4.68 0.00 2.03 -1.26 -3.99 116.55 111.46 3i3b n ASP 77 Ca -0.12 1.16 -0.42 0.00 0.52 0.00 0.00 54.79 55.94 3i3b n ASP 77 Cb 0.63 -1.50 -0.03 0.00 -0.72 0.00 0.00 41.12 39.50 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 -0.37 4.20 0.55 -2.67 1.43 -1.26 -4.93 118.68 115.63 3i3b s LEU 78 Ca 0.64 1.30 0.23 0.00 -1.03 0.00 0.00 54.13 55.27 3i3b s LEU 78 Cb -0.58 -3.34 1.52 0.00 0.03 0.00 0.00 46.19 43.81 3i3b s LEU 78 CO 0.52 -0.41 2.17 -0.65 0.23 0.00 0.00 176.35 178.21 3i3b h PRO 79 N 7.23 0.00 0.00 1.29 0.11 -2.03 -0.63 132.00 137.97 3i3b h PRO 79 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3i3b h PRO 79 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3i3b h PRO 79 CO 0.84 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.78 3i3b n GLU 80 N -4.20 0.08 -1.79 1.05 0.28 -1.26 -4.84 120.64 109.96 3i3b n GLU 80 Ca -0.02 0.15 -0.32 0.00 -0.16 0.00 0.00 57.16 56.81 3i3b n GLU 80 Cb 0.15 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.56 3i3b n GLU 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i3b s ALA 81 N -2.87 2.68 0.37 -1.84 0.00 -0.24 -4.95 121.76 114.91 3i3b s ALA 81 Ca 0.12 0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.42 3i3b s ALA 81 Cb 0.13 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3i3b s ALA 81 CO 0.34 -1.04 0.18 -0.51 0.00 0.00 0.00 175.76 174.73 3i3b s ASP 82 N -3.25 4.66 -0.27 0.00 1.01 -0.13 -4.88 116.67 113.83 3i3b s ASP 82 Ca 0.61 -0.85 -0.08 0.00 0.71 0.00 0.00 52.55 52.94 3i3b s ASP 82 Cb -0.15 -0.64 -0.03 0.00 1.01 0.00 0.00 42.92 43.11 3i3b s ASP 82 CO 0.46 -0.41 0.10 -0.89 0.21 0.00 0.00 175.17 174.64 3i3b s THR 83 N -2.48 4.50 0.28 -1.27 2.01 -1.26 -0.11 115.64 117.32 3i3b s THR 83 Ca 0.40 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.27 3i3b s THR 83 Cb -0.01 -3.15 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 3i3b s THR 83 CO 0.23 0.27 -0.01 0.68 -0.69 0.00 0.00 174.62 175.11 3i3b s VAL 84 N 1.63 1.32 0.18 3.82 -7.23 0.56 -4.90 120.40 115.78 3i3b s VAL 84 Ca 0.06 -2.06 -0.22 0.00 -1.81 0.00 0.00 61.98 57.95 3i3b s VAL 84 Cb -0.16 -2.53 -0.08 0.00 0.56 0.00 0.00 36.38 34.17 3i3b s VAL 84 CO 0.05 -0.21 0.73 -0.69 -0.31 0.00 0.00 175.10 174.67 3i3b s VAL 85 N -3.22 4.49 -0.02 1.32 1.01 -1.26 0.34 120.40 123.07 3i3b s VAL 85 Ca 0.31 1.47 0.03 0.00 0.00 0.00 0.00 61.98 63.79 3i3b s VAL 85 Cb 0.06 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 3i3b s VAL 85 CO 0.12 0.38 -0.10 -0.69 0.00 0.00 0.00 175.10 174.81 3i3b s VAL 86 N -1.32 0.85 0.75 2.92 1.01 0.82 -4.22 120.40 121.22 3i3b s VAL 86 Ca 0.38 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 3i3b s VAL 86 Cb -0.20 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.49 3i3b s VAL 86 CO 0.23 0.25 1.10 -2.16 0.00 0.00 0.00 175.10 174.52 3i3b s PRO 87 N -0.05 2.37 -0.27 2.72 0.04 -1.26 -0.97 135.00 137.58 3i3b s PRO 87 Ca 0.01 1.22 -0.38 0.00 0.04 0.00 0.00 61.00 61.89 3i3b s PRO 87 Cb -0.06 -1.91 0.16 0.00 0.04 0.00 0.00 34.50 32.73 3i3b s PRO 87 CO 0.00 -1.56 1.40 -1.54 0.04 0.00 0.00 177.00 175.34 3i3b s SER 88 N -3.20 -0.01 -0.16 6.66 1.04 0.29 -4.92 113.70 113.41 3i3b s SER 88 Ca 0.63 -0.00 -0.06 0.00 0.48 0.00 0.00 55.95 56.99 3i3b s SER 88 Cb -0.18 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 3i3b s SER 88 CO 0.53 -0.01 0.05 0.20 0.98 0.00 0.00 173.24 174.99 3i3b s ASN 89 N -2.11 5.57 0.22 7.02 -0.87 -1.26 -3.24 114.94 120.27 3i3b s ASN 89 Ca 0.12 0.11 0.21 0.00 -1.57 0.00 0.00 52.86 51.73 3i3b s ASN 89 Cb -0.00 -1.88 0.91 0.00 -0.02 0.00 0.00 41.25 40.26 3i3b s ASN 89 CO -0.03 0.23 1.63 -2.67 -2.57 0.00 0.00 177.10 173.70 3i3b n TRP 90 N 3.15 0.63 0.12 2.20 2.14 -0.76 -1.80 117.44 123.12 3i3b n TRP 90 Ca -0.17 0.26 -0.01 0.00 2.07 0.00 0.00 57.50 59.65 3i3b n TRP 90 Cb 0.53 -0.93 0.25 0.00 -0.81 0.00 0.00 31.31 30.35 3i3b n TRP 90 CO 0.00 0.00 0.00 1.96 2.07 0.00 0.00 177.69 181.72 3i3b h GLN 91 N 0.00 0.17 0.00 -2.67 7.50 -1.80 -2.50 115.11 115.81 3i3b h GLN 91 Ca 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 58.65 59.07 3i3b h GLN 91 Cb 0.27 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.80 3i3b h GLN 91 CO 0.00 0.56 0.00 -1.33 -1.50 0.00 0.00 178.83 176.56 3i3b n MET 92 N -4.02 0.19 -0.12 1.46 2.81 -0.74 -2.01 117.12 114.68 3i3b n MET 92 Ca -0.02 0.36 0.12 0.00 -1.81 0.00 0.00 57.70 56.35 3i3b n MET 92 Cb 0.47 -1.82 0.18 0.00 -0.71 0.00 0.00 33.22 31.35 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 -2.17 0.31 -0.67 2.03 8.25 -0.96 -4.97 115.22 117.04 3i3b n HIS 93 Ca 0.03 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 3i3b n HIS 93 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 1.44 0.79 0.35 -1.41 0.00 -0.85 -4.96 105.19 100.56 3i3b n GLY 94 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 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 1.14 -3.45 1.61 0.05 -1.74 -3.46 116.97 111.12 3i3b h TYR 95 Ca 0.00 -0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 3i3b h TYR 95 Cb 0.00 -0.36 -0.07 0.00 1.01 0.00 0.00 36.73 37.31 3i3b h TYR 95 CO 0.00 0.82 0.01 0.16 -1.05 0.00 0.00 178.16 178.10 3i3b s ASP 96 N -6.34 -0.04 0.21 3.88 1.47 -1.26 -5.06 116.67 109.53 3i3b s ASP 96 Ca -0.12 -0.91 -0.24 0.00 1.18 0.00 0.00 52.55 52.46 3i3b s ASP 96 Cb 0.16 0.66 -0.08 0.00 -0.34 0.00 0.00 42.92 43.32 3i3b s ASP 96 CO 0.82 -1.27 0.79 0.00 0.68 0.00 0.00 175.17 176.19 3i3b s ALA 97 N -3.74 3.40 0.25 2.11 0.00 -1.26 -4.41 121.76 118.11 3i3b s ALA 97 Ca 0.19 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 52.24 3i3b s ALA 97 Cb -0.03 -2.95 -0.09 0.00 0.00 0.00 0.00 23.12 20.05 3i3b s ALA 97 CO 0.10 0.28 0.84 -1.25 0.00 0.00 0.00 175.76 175.73 3i3b s PRO 98 N -1.56 4.53 -0.13 0.00 0.04 -1.26 -4.99 135.00 131.63 3i3b s PRO 98 Ca 0.40 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 3i3b s PRO 98 Cb -0.20 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 3i3b s PRO 98 CO 0.24 0.41 -0.11 0.42 0.04 0.00 0.00 177.00 178.01 3i3b s ILE 99 N -1.42 3.27 -0.31 0.56 1.01 -1.05 -4.66 121.20 118.60 3i3b s ILE 99 Ca 0.43 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.46 3i3b s ILE 99 Cb -0.20 -2.38 0.04 0.00 0.01 0.00 0.00 42.46 39.93 3i3b s ILE 99 CO 0.25 0.52 0.03 -0.47 0.00 0.00 0.00 174.94 175.27 3i3b s TYR 100 N 0.24 3.24 0.02 3.97 5.04 -1.26 0.60 117.35 129.20 3i3b s TYR 100 Ca -0.07 -1.67 0.02 0.00 -2.44 0.00 0.00 57.07 52.91 3i3b s TYR 100 Cb -0.15 -2.16 -0.01 0.00 0.35 0.00 0.00 41.96 39.98 3i3b s TYR 100 CO 0.05 -0.76 -0.06 -0.08 -1.34 0.00 0.00 175.55 173.35 3i3b s THR 101 N 1.32 0.43 0.00 4.34 -1.32 -1.26 -1.69 115.64 117.46 3i3b s THR 101 Ca -0.03 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.79 3i3b s THR 101 Cb -0.19 -0.45 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 3i3b s THR 101 CO 0.00 -0.16 0.00 -3.20 -2.21 0.00 0.00 174.62 169.05 3i3b n ASN 102 N 2.17 0.00 -0.10 8.08 5.15 -1.26 -4.04 115.26 125.26 3i3b n ASN 102 Ca -0.18 0.07 -0.16 0.00 -0.60 0.00 0.00 54.58 53.71 3i3b n ASN 102 Cb 0.56 -0.09 -0.07 0.00 -0.53 0.00 0.00 39.78 39.65 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 1.49 -1.68 3.44 0.31 -1.26 -4.02 118.33 115.59 3i3b n VAL 103 Ca 0.00 0.03 -0.46 0.00 -0.01 0.00 0.00 64.34 63.90 3i3b n VAL 103 Cb 0.00 -2.16 -0.04 0.00 -0.91 0.00 0.00 33.84 30.73 3i3b n VAL 103 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3i3b n THR 104 N -4.48 0.32 -1.74 2.52 -1.04 -1.26 -3.34 114.28 105.26 3i3b n THR 104 Ca -0.25 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.29 3i3b n THR 104 Cb 0.55 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 3i3b n THR 104 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3i3b n TYR 105 N 5.23 2.64 0.37 -1.42 4.01 -1.26 -4.86 117.16 121.88 3i3b n TYR 105 Ca 0.19 0.48 0.07 0.00 -0.16 0.00 0.00 57.90 58.48 3i3b n TYR 105 Cb 0.31 -2.47 0.30 0.00 -0.31 0.00 0.00 39.34 37.17 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 0.31 0.04 -4.39 -0.72 -0.04 -1.26 -4.70 135.00 124.24 3i3b n PRO 106 Ca 0.03 0.34 -0.20 0.00 -0.04 0.00 0.00 63.50 63.64 3i3b n PRO 106 Cb 0.39 -1.58 -0.10 0.00 -0.04 0.00 0.00 33.50 32.16 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 -3.08 1.53 0.26 0.52 -4.36 -1.26 -5.05 121.20 109.76 3i3b s ILE 107 Ca 0.05 -2.12 -0.31 0.00 -0.26 0.00 0.00 60.65 58.01 3i3b s ILE 107 Cb 0.08 -2.34 -0.11 0.00 1.25 0.00 0.00 42.46 41.33 3i3b s ILE 107 CO 0.23 -0.37 1.61 -0.89 0.24 0.00 0.00 174.94 175.76 3i3b s THR 108 N -3.09 2.14 -0.64 8.37 2.01 -1.26 -4.89 115.64 118.27 3i3b s THR 108 Ca 0.28 0.11 -0.27 0.00 0.31 0.00 0.00 61.69 62.12 3i3b s THR 108 Cb 0.03 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.49 3i3b s THR 108 CO 0.10 0.02 1.42 -0.69 -0.69 0.00 0.00 174.62 174.78 3i3b s VAL 109 N 0.35 3.70 -0.45 3.82 1.01 -1.26 -4.79 120.40 122.78 3i3b s VAL 109 Ca 0.66 0.50 0.07 0.00 0.00 0.00 0.00 61.98 63.21 3i3b s VAL 109 Cb -0.47 -4.57 0.30 0.00 0.00 0.00 0.00 36.38 31.63 3i3b s VAL 109 CO 0.43 -1.42 0.97 -3.20 0.00 0.00 0.00 175.10 171.88 3i3b n ASN 110 N 9.96 -1.94 -4.71 3.32 5.15 -1.26 -5.12 115.26 120.66 3i3b n ASN 110 Ca 0.10 -3.44 -0.42 0.00 -0.60 0.00 0.00 54.58 50.21 3i3b n ASN 110 Cb 0.50 1.42 0.00 0.00 -0.53 0.00 0.00 39.78 41.17 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 0.78 2.13 -0.43 1.20 -0.04 -1.26 -0.56 135.00 136.81 3i3b n PRO 111 Ca 0.10 0.75 0.07 0.00 -0.04 0.00 0.00 63.50 64.38 3i3b n PRO 111 Cb 0.66 -2.39 0.25 0.00 -0.04 0.00 0.00 33.50 31.99 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 0.36 2.91 -2.58 0.54 -0.04 -1.26 -5.11 135.00 129.82 3i3b n PRO 112 Ca 0.05 -2.01 -0.35 0.00 -0.04 0.00 0.00 63.50 61.15 3i3b n PRO 112 Cb 0.38 -1.70 -0.04 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.74 3.20 0.27 0.54 0.08 0.28 -4.28 117.98 116.32 3i3b s PHE 113 Ca 0.36 1.62 0.07 0.00 0.12 0.00 0.00 56.93 59.10 3i3b s PHE 113 Cb 0.23 -3.07 -0.06 0.00 -0.57 0.00 0.00 43.02 39.55 3i3b s PHE 113 CO 0.18 -0.61 -0.08 0.14 -0.10 0.00 0.00 175.22 174.75 3i3b s VAL 114 N -1.81 1.70 0.46 -0.44 -7.23 -1.26 -4.49 120.40 107.33 3i3b s VAL 114 Ca 0.61 -2.15 -0.23 0.00 -1.81 0.00 0.00 61.98 58.40 3i3b s VAL 114 Cb -0.19 -2.40 -0.09 0.00 0.56 0.00 0.00 36.38 34.26 3i3b s VAL 114 CO 0.23 -0.34 1.06 -2.65 -0.31 0.00 0.00 175.10 173.10 3i3b n PRO 115 N -0.57 1.39 0.10 4.82 -0.02 -1.26 -4.89 135.00 134.58 3i3b n PRO 115 Ca -0.06 0.50 -0.01 0.00 -2.02 0.00 0.00 63.50 61.92 3i3b n PRO 115 Cb 0.63 -2.15 0.26 0.00 -0.02 0.00 0.00 33.50 32.22 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 1.44 1.29 -2.02 3.45 1.35 -1.99 -3.30 112.91 113.13 3i3b h THR 116 Ca -0.46 -1.39 -0.64 0.00 -0.55 0.00 0.00 66.41 63.37 3i3b h THR 116 Cb 1.33 1.60 -0.14 0.00 -1.73 0.00 0.00 68.15 69.22 3i3b h THR 116 CO 0.56 0.41 1.02 -1.61 -0.25 0.00 0.00 175.52 175.66 3i3b s GLU 117 N -4.24 3.50 -0.42 4.72 2.02 -1.26 -4.76 118.70 118.25 3i3b s GLU 117 Ca -0.05 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 53.62 3i3b s GLU 117 Cb 0.14 -4.92 0.12 0.00 0.10 0.00 0.00 34.13 29.56 3i3b s GLU 117 CO 0.76 -1.94 0.19 1.21 0.02 0.00 0.00 175.26 175.50 3i3b s ASN 118 N 4.08 5.00 -0.42 -0.19 3.84 -0.66 -4.96 114.94 121.63 3i3b s ASN 118 Ca 0.36 -2.27 -0.46 0.00 0.21 0.00 0.00 52.86 50.70 3i3b s ASN 118 Cb -0.05 -1.75 -0.20 0.00 -0.55 0.00 0.00 41.25 38.70 3i3b s ASN 118 CO -0.05 -0.44 1.53 -2.65 -2.79 0.00 0.00 177.10 172.70 3i3b n PRO 119 N 4.20 0.05 -4.32 0.43 -0.02 -1.21 -3.71 135.00 130.41 3i3b n PRO 119 Ca 0.02 0.02 -0.33 0.00 -2.02 0.00 0.00 63.50 61.19 3i3b n PRO 119 Cb 0.40 -1.52 -0.16 0.00 -0.02 0.00 0.00 33.50 32.20 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 2.59 2.10 -0.26 3.45 2.01 0.64 -1.11 115.64 125.07 3i3b s THR 120 Ca 1.03 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 62.00 3i3b s THR 120 Cb -1.45 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 3i3b s THR 120 CO 0.78 0.54 0.10 -0.83 -0.69 0.00 0.00 174.62 174.52 3i3b s GLY 121 N 1.11 1.81 -0.41 4.40 0.00 -0.13 -0.31 107.32 113.80 3i3b s GLY 121 Ca 0.01 -1.11 -0.13 0.00 0.00 0.00 0.00 44.72 43.48 3i3b s GLY 121 CO -0.09 0.56 0.29 0.00 0.00 0.00 0.00 173.10 173.86 3i3b s TYR 123 N 1.61 3.36 0.01 0.00 1.51 0.40 -2.10 117.35 122.13 3i3b s TYR 123 Ca 0.04 0.32 -0.10 0.00 -1.01 0.00 0.00 57.07 56.31 3i3b s TYR 123 Cb -0.20 -1.83 0.01 0.00 -0.11 0.00 0.00 41.96 39.83 3i3b s TYR 123 CO 0.08 0.59 0.20 -1.54 -1.11 0.00 0.00 175.55 173.77 3i3b s SER 124 N -1.19 -0.04 -0.10 2.29 1.04 -0.76 0.13 113.70 115.07 3i3b s SER 124 Ca 0.17 -0.15 -0.06 0.00 0.48 0.00 0.00 55.95 56.39 3i3b s SER 124 Cb -0.12 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.30 3i3b s SER 124 CO 0.06 -0.43 0.25 -0.22 0.98 0.00 0.00 173.24 173.88 3i3b s LEU 125 N -1.51 0.53 -0.22 2.42 2.96 -0.76 -1.05 118.68 121.06 3i3b s LEU 125 Ca -0.13 0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 54.22 3i3b s LEU 125 Cb -0.06 0.77 -0.04 0.00 0.50 0.00 0.00 46.19 47.36 3i3b s LEU 125 CO 0.01 -0.15 0.10 -0.89 -1.32 0.00 0.00 176.35 174.11 3i3b s THR 126 N 1.03 4.92 0.17 3.68 2.01 -1.26 -0.81 115.64 125.39 3i3b s THR 126 Ca -0.07 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.84 3i3b s THR 126 Cb -0.09 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.16 3i3b s THR 126 CO -0.07 0.39 0.34 0.72 -0.69 0.00 0.00 174.62 175.32 3i3b s PHE 127 N 0.87 0.26 0.16 4.92 -0.71 0.97 -4.94 117.98 119.51 3i3b s PHE 127 Ca 0.05 -0.63 -0.03 0.00 -1.04 0.00 0.00 56.93 55.29 3i3b s PHE 127 Cb -0.13 0.05 -0.05 0.00 -1.21 0.00 0.00 43.02 41.68 3i3b s PHE 127 CO 0.03 -0.76 0.37 1.21 -1.34 0.00 0.00 175.22 174.72 3i3b s ASN 128 N -2.94 6.44 -0.06 1.98 2.47 -1.26 0.52 114.94 122.10 3i3b s ASN 128 Ca 0.15 0.50 -0.01 0.00 0.42 0.00 0.00 52.86 53.92 3i3b s ASN 128 Cb 0.02 -2.05 0.03 0.00 -1.45 0.00 0.00 41.25 37.80 3i3b s ASN 128 CO -0.01 0.02 0.00 -0.69 -3.72 0.00 0.00 177.10 172.71 3i3b s VAL 129 N -1.73 0.31 0.40 -5.21 1.01 -0.54 -4.95 120.40 109.69 3i3b s VAL 129 Ca 0.40 0.12 -0.26 0.00 0.00 0.00 0.00 61.98 62.23 3i3b s VAL 129 Cb -0.12 -0.45 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 3i3b s VAL 129 CO 0.27 0.23 1.36 -1.81 0.00 0.00 0.00 175.10 175.14 3i3b s ASP 130 N 1.68 6.27 0.45 3.32 1.01 -1.26 -2.23 116.67 125.92 3i3b s ASP 130 Ca 0.00 2.78 0.12 0.00 0.71 0.00 0.00 52.55 56.16 3i3b s ASP 130 Cb -0.13 -2.65 1.03 0.00 1.01 0.00 0.00 42.92 42.19 3i3b s ASP 130 CO -0.04 -0.89 2.07 -0.08 0.21 0.00 0.00 175.17 176.44 3i3b h GLU 131 N 2.73 0.34 -0.08 8.23 4.57 -1.95 -1.68 114.58 126.74 3i3b h GLU 131 Ca -0.50 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 57.68 3i3b h GLU 131 Cb 1.25 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3i3b h GLU 131 CO 0.63 0.22 0.07 0.66 -1.18 0.00 0.00 179.01 179.41 3i3b h SER 132 N 0.35 0.00 1.51 1.04 4.64 -1.98 -0.38 113.55 118.73 3i3b h SER 132 Ca 0.14 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 3i3b h SER 132 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3i3b h SER 132 CO -0.03 0.00 -0.20 -0.50 -0.87 0.00 0.00 176.83 175.23 3i3b h TRP 133 N 0.00 0.00 0.00 4.77 4.06 -1.59 -3.32 115.95 119.87 3i3b h TRP 133 Ca 0.04 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.81 3i3b h TRP 133 Cb 0.18 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.30 3i3b h TRP 133 CO 0.00 0.20 -2.11 1.28 -3.56 0.00 0.00 178.44 174.25 3i3b n LEU 134 N -3.20 0.09 0.27 -4.49 4.77 -0.28 -4.35 117.00 109.82 3i3b n LEU 134 Ca 0.02 0.04 0.16 0.00 -0.03 0.00 0.00 56.01 56.20 3i3b n LEU 134 Cb 0.54 0.22 0.74 0.00 -2.33 0.00 0.00 43.42 42.59 3i3b n LEU 134 CO 0.35 0.23 0.98 0.06 -1.33 0.00 0.00 177.39 177.68 3i3b h GLN 135 N 0.00 0.00 -3.17 3.23 3.07 -1.31 -3.45 115.11 113.47 3i3b h GLN 135 Ca -0.25 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.44 3i3b h GLN 135 Cb 1.60 0.00 -0.13 0.00 0.08 0.00 0.00 27.48 29.02 3i3b h GLN 135 CO 0.02 0.07 0.01 -1.83 0.09 0.00 0.00 178.83 177.19 3i3b s GLU 136 N -3.85 1.11 1.18 0.06 -1.05 -1.26 -5.12 118.70 109.76 3i3b s GLU 136 Ca -0.01 -0.55 0.00 0.00 -0.15 0.00 0.00 54.97 54.26 3i3b s GLU 136 Cb 0.11 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.29 3i3b s GLU 136 CO 0.55 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 176.73 3i3b n GLY 137 N -0.12 -1.78 3.27 -3.83 0.00 -1.26 -4.75 105.19 96.72 3i3b n GLY 137 Ca -0.17 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.16 3.19 -0.23 1.61 0.74 0.27 -4.79 119.66 120.29 3i3b s GLN 138 Ca 0.00 -0.78 -0.04 0.00 0.05 0.00 0.00 55.36 54.58 3i3b s GLN 138 Cb 0.00 -2.50 -0.01 0.00 1.10 0.00 0.00 33.01 31.61 3i3b s GLN 138 CO 0.00 0.13 -0.02 0.99 -0.55 0.00 0.00 175.29 175.84 3i3b s THR 139 N 0.51 3.49 0.26 -0.34 2.01 -1.26 -0.39 115.64 119.92 3i3b s THR 139 Ca -0.12 -0.52 0.12 0.00 0.31 0.00 0.00 61.69 61.48 3i3b s THR 139 Cb -0.16 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 3i3b s THR 139 CO 0.05 0.36 -0.20 0.00 -0.69 0.00 0.00 174.62 174.13 3i3b s ARG 140 N 1.48 1.64 0.03 4.92 1.70 -0.31 -1.02 118.95 127.39 3i3b s ARG 140 Ca 0.05 -1.73 0.04 0.00 -0.47 0.00 0.00 55.73 53.62 3i3b s ARG 140 Cb -0.15 -1.76 -0.04 0.00 -0.57 0.00 0.00 34.95 32.44 3i3b s ARG 140 CO -0.02 0.33 -0.06 -1.50 -1.08 0.00 0.00 175.30 172.97 3i3b s ILE 141 N -2.40 3.69 -0.12 4.99 2.07 0.14 -1.32 121.20 128.24 3i3b s ILE 141 Ca 0.28 -0.85 -0.00 0.00 -1.41 0.00 0.00 60.65 58.67 3i3b s ILE 141 Cb -0.05 -2.64 0.02 0.00 0.13 0.00 0.00 42.46 39.92 3i3b s ILE 141 CO 0.14 0.32 -0.09 -0.63 -1.91 0.00 0.00 174.94 172.77 3i3b s ILE 142 N -1.07 1.14 -0.41 2.00 1.01 0.80 -1.58 121.20 123.10 3i3b s ILE 142 Ca 0.19 -0.37 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 3i3b s ILE 142 Cb -0.11 -1.13 0.08 0.00 0.01 0.00 0.00 42.46 41.30 3i3b s ILE 142 CO 0.10 0.39 0.24 -0.36 0.00 0.00 0.00 174.94 175.30 3i3b s PHE 143 N 1.63 3.36 0.30 3.97 0.40 -0.56 -1.48 117.98 125.61 3i3b s PHE 143 Ca 0.04 -1.66 0.27 0.00 -0.60 0.00 0.00 56.93 54.98 3i3b s PHE 143 Cb -0.13 -2.95 1.27 0.00 0.51 0.00 0.00 43.02 41.72 3i3b s PHE 143 CO -0.08 -0.86 1.98 -0.44 0.70 0.00 0.00 175.22 176.52 3i3b h ASP 144 N 8.34 0.00 -1.18 1.36 3.32 -1.29 0.44 116.42 127.42 3i3b h ASP 144 Ca -0.22 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.97 3i3b h ASP 144 Cb 1.08 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.41 3i3b h ASP 144 CO 0.74 0.16 -0.04 -0.83 -1.72 0.00 0.00 179.24 177.55 3i3b s GLY 145 N -4.23 -0.61 -0.09 2.75 0.00 -1.26 -3.42 107.32 100.46 3i3b s GLY 145 Ca -0.01 2.45 0.00 0.00 0.00 0.00 0.00 44.72 47.16 3i3b s GLY 145 CO 0.60 3.33 -0.08 0.14 0.00 0.00 0.00 173.10 177.09 3i3b s VAL 146 N 2.78 0.92 -0.23 1.40 1.01 -1.25 -2.33 120.40 122.70 3i3b s VAL 146 Ca 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 3i3b s VAL 146 Cb -0.11 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.35 3i3b s VAL 146 CO -0.18 0.33 -0.05 0.21 0.00 0.00 0.00 175.10 175.42 3i3b s ASN 147 N 1.37 4.29 0.00 3.32 3.84 -0.38 -3.92 114.94 123.46 3i3b s ASN 147 Ca -0.02 -0.54 0.04 0.00 0.21 0.00 0.00 52.86 52.55 3i3b s ASN 147 Cb -0.14 -1.72 -0.04 0.00 -0.55 0.00 0.00 41.25 38.81 3i3b s ASN 147 CO -0.04 -0.06 0.18 -1.54 -2.79 0.00 0.00 177.10 172.85 3i3b n SER 148 N 4.76 0.20 -3.60 -4.21 3.41 -0.58 -0.74 113.62 112.87 3i3b n SER 148 Ca -0.18 -0.60 -0.11 0.00 -0.26 0.00 0.00 58.87 57.72 3i3b n SER 148 Cb 0.50 0.99 -0.04 0.00 -0.26 0.00 0.00 64.21 65.39 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 -1.36 -1.05 -0.04 7.33 0.00 -1.14 -3.87 121.76 121.63 3i3b s ALA 149 Ca 0.02 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 3i3b s ALA 149 Cb 0.03 0.73 0.10 0.00 0.00 0.00 0.00 23.12 23.98 3i3b s ALA 149 CO 0.16 -0.67 0.86 -0.59 0.00 0.00 0.00 175.76 175.53 3i3b s PHE 150 N -3.80 -0.41 0.01 0.00 -0.71 -1.03 -0.43 117.98 111.61 3i3b s PHE 150 Ca 0.03 0.46 0.04 0.00 -1.04 0.00 0.00 56.93 56.42 3i3b s PHE 150 Cb 0.01 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.29 3i3b s PHE 150 CO -0.12 -0.53 -0.10 -1.01 -1.34 0.00 0.00 175.22 172.12 3i3b s HIS 151 N -2.39 2.78 -0.03 3.49 3.76 -0.80 -2.30 115.29 119.80 3i3b s HIS 151 Ca 0.01 -0.11 0.07 0.00 -0.15 0.00 0.00 55.06 54.87 3i3b s HIS 151 Cb -0.01 -1.57 -0.02 0.00 1.11 0.00 0.00 32.58 32.10 3i3b s HIS 151 CO -0.04 0.33 -0.24 -1.17 -0.85 0.00 0.00 174.74 172.76 3i3b s LEU 152 N -1.40 2.05 0.02 0.89 2.96 -0.24 -1.61 118.68 121.36 3i3b s LEU 152 Ca 0.16 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 3i3b s LEU 152 Cb -0.11 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 3i3b s LEU 152 CO 0.07 0.28 -0.13 0.26 -1.32 0.00 0.00 176.35 175.50 3i3b s TRP 153 N -0.41 1.13 -0.14 5.38 0.51 -0.30 0.47 118.94 125.58 3i3b s TRP 153 Ca 0.05 -0.31 -0.01 0.00 -2.12 0.00 0.00 56.10 53.71 3i3b s TRP 153 Cb -0.11 -0.68 0.04 0.00 -0.81 0.00 0.00 33.47 31.90 3i3b s TRP 153 CO 0.01 0.01 -0.05 0.00 -0.51 0.00 0.00 176.95 176.41 3i3b n ASN 155 N 4.93 -4.90 0.00 0.00 3.02 -0.20 -1.82 115.26 116.29 3i3b n ASN 155 Ca -0.11 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 3i3b n ASN 155 Cb 0.48 -4.48 0.00 0.00 -0.61 0.00 0.00 39.78 35.18 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 -1.77 2.80 3.76 7.41 0.00 -1.22 -5.01 105.19 111.15 3i3b n GLY 156 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.10 4.13 0.26 1.61 0.52 -0.76 -4.92 118.95 119.70 3i3b s ARG 157 Ca 0.00 0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 55.10 3i3b s ARG 157 Cb 0.00 -3.37 -0.10 0.00 0.52 0.00 0.00 34.95 32.00 3i3b s ARG 157 CO 0.00 0.36 1.45 -0.46 0.02 0.00 0.00 175.30 176.67 3i3b s TRP 158 N 0.06 2.99 -0.12 -0.53 -0.00 -1.26 -0.44 118.94 119.63 3i3b s TRP 158 Ca 0.19 1.04 -0.08 0.00 -0.00 0.00 0.00 56.10 57.24 3i3b s TRP 158 Cb -0.14 -3.84 -0.05 0.00 -0.00 0.00 0.00 33.47 29.44 3i3b s TRP 158 CO 0.07 -2.70 -0.19 0.28 -0.00 0.00 0.00 176.95 174.40 3i3b n VAL 159 N 2.17 1.02 -3.78 5.86 0.31 0.18 -4.87 118.33 119.22 3i3b n VAL 159 Ca 0.06 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3i3b n VAL 159 Cb 0.40 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 2.18 0.72 3.04 2.92 0.00 -1.19 -4.76 105.19 108.11 3i3b n GLY 160 Ca -0.22 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.53 0.35 -0.04 1.61 5.04 -0.26 -1.08 117.35 119.44 3i3b s TYR 161 Ca 0.04 -0.73 -0.28 0.00 -2.44 0.00 0.00 57.07 53.66 3i3b s TYR 161 Cb -0.00 -0.26 0.06 0.00 0.35 0.00 0.00 41.96 42.11 3i3b s TYR 161 CO 0.00 -0.29 0.62 0.20 -1.34 0.00 0.00 175.55 174.74 3i3b s GLY 162 N -2.11 -0.50 0.39 8.97 0.00 -0.97 -1.01 107.32 112.08 3i3b s GLY 162 Ca -0.06 1.15 0.04 0.00 0.00 0.00 0.00 44.72 45.85 3i3b s GLY 162 CO -0.05 0.82 0.12 1.20 0.00 0.00 0.00 173.10 175.19 3i3b s GLN 163 N -1.21 1.87 0.00 2.90 -0.21 -0.57 -2.47 119.66 119.97 3i3b s GLN 163 Ca -0.11 -2.12 0.00 0.00 0.02 0.00 0.00 55.36 53.14 3i3b s GLN 163 Cb -0.01 -0.60 0.00 0.00 1.00 0.00 0.00 33.01 33.41 3i3b s GLN 163 CO 0.09 -0.44 0.00 -3.47 -2.12 0.00 0.00 175.29 169.35 3i3b n ASP 164 N -1.20 -1.90 0.00 5.90 -0.08 -1.25 -4.92 116.55 113.09 3i3b n ASP 164 Ca -0.05 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.31 3i3b n ASP 164 Cb 0.65 -0.95 0.38 0.00 2.34 0.00 0.00 41.12 43.54 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 0.00 0.00 -0.36 1.67 7.64 -1.25 -3.69 113.62 117.63 3i3b n SER 165 Ca 0.00 0.23 0.04 0.00 1.01 0.00 0.00 58.87 60.14 3i3b n SER 165 Cb 0.00 -0.37 0.10 0.00 -1.01 0.00 0.00 64.21 62.93 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 -1.37 2.84 -4.13 1.43 5.12 -1.26 -3.82 116.66 115.46 3i3b n ARG 166 Ca 0.06 -1.91 -0.14 0.00 -1.93 0.00 0.00 57.85 53.93 3i3b n ARG 166 Cb 0.15 -1.21 -0.11 0.00 -1.16 0.00 0.00 32.46 30.13 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 -1.24 2.34 0.38 0.55 1.43 -1.24 -4.41 118.68 116.49 3i3b s LEU 167 Ca 0.15 -0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 52.28 3i3b s LEU 167 Cb 0.10 -0.24 -0.09 0.00 0.03 0.00 0.00 46.19 45.99 3i3b s LEU 167 CO 0.08 -0.25 1.20 -2.16 0.23 0.00 0.00 176.35 175.45 3i3b s PRO 168 N -2.32 4.16 -0.22 1.29 0.04 -1.22 -4.49 135.00 132.24 3i3b s PRO 168 Ca -0.01 1.93 -0.00 0.00 0.04 0.00 0.00 61.00 62.96 3i3b s PRO 168 Cb -0.05 -2.80 0.02 0.00 0.04 0.00 0.00 34.50 31.70 3i3b s PRO 168 CO -0.00 -0.26 -0.12 -1.12 0.04 0.00 0.00 177.00 175.54 3i3b s SER 169 N -0.96 3.84 0.02 6.66 0.01 0.15 -4.95 113.70 118.46 3i3b s SER 169 Ca 0.54 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 57.07 3i3b s SER 169 Cb -0.33 -1.59 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 3i3b s SER 169 CO 0.42 -0.07 -0.07 -1.61 0.41 0.00 0.00 173.24 172.33 3i3b s GLU 170 N 1.31 2.51 0.02 12.44 2.02 -1.26 -1.49 118.70 134.24 3i3b s GLU 170 Ca 0.02 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.25 3i3b s GLU 170 Cb -0.15 -2.48 -0.02 0.00 0.10 0.00 0.00 34.13 31.58 3i3b s GLU 170 CO -0.08 0.59 -0.02 -0.06 0.02 0.00 0.00 175.26 175.71 3i3b s PHE 171 N -1.04 0.20 -0.23 1.61 0.08 -0.61 -0.94 117.98 117.05 3i3b s PHE 171 Ca 0.18 -0.40 -0.23 0.00 0.12 0.00 0.00 56.93 56.59 3i3b s PHE 171 Cb -0.11 -0.15 -0.01 0.00 -0.57 0.00 0.00 43.02 42.18 3i3b s PHE 171 CO 0.09 -0.14 0.77 0.34 -0.10 0.00 0.00 175.22 176.18 3i3b s ASP 172 N -1.10 6.79 0.00 1.36 -1.08 -1.26 -0.68 116.67 120.69 3i3b s ASP 172 Ca -0.12 0.98 0.14 0.00 -0.52 0.00 0.00 52.55 53.03 3i3b s ASP 172 Cb -0.08 -2.41 0.23 0.00 -1.46 0.00 0.00 42.92 39.21 3i3b s ASP 172 CO -0.01 -0.45 1.11 0.18 0.52 0.00 0.00 175.17 176.53 3i3b n LEU 173 N 5.73 2.62 -0.27 -1.34 4.77 -0.19 -4.71 117.00 123.61 3i3b n LEU 173 Ca 0.04 -1.43 0.07 0.00 -0.03 0.00 0.00 56.01 54.65 3i3b n LEU 173 Cb 0.48 -0.13 0.18 0.00 -2.33 0.00 0.00 43.42 41.62 3i3b n LEU 173 CO 0.46 0.57 0.83 0.28 -1.33 0.00 0.00 177.39 178.20 3i3b h SER 174 N 2.70 -0.33 -0.01 -1.43 0.02 -1.85 0.12 113.55 112.78 3i3b h SER 174 Ca 0.00 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3i3b h SER 174 Cb 0.68 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3i3b h SER 174 CO 0.00 -0.19 -0.00 0.00 -1.14 0.00 0.00 176.83 175.50 3i3b n ALA 175 N -2.95 2.64 -0.05 3.77 0.00 -1.26 -4.01 120.51 118.64 3i3b n ALA 175 Ca 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 3i3b n ALA 175 Cb 0.51 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.46 0.00 -2.12 0.00 3.01 0.36 -5.03 117.46 113.22 3i3b n PHE 176 Ca 0.22 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.41 3i3b n PHE 176 Cb 0.22 -0.62 0.08 0.00 -0.01 0.00 0.00 39.48 39.15 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 -4.80 2.74 0.05 4.37 1.43 -0.80 -4.73 118.68 116.93 3i3b s LEU 177 Ca -0.07 0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 3i3b s LEU 177 Cb 0.06 -3.09 0.01 0.00 0.03 0.00 0.00 46.19 43.19 3i3b s LEU 177 CO 0.62 -1.72 0.23 0.00 0.23 0.00 0.00 176.35 175.71 3i3b s ARG 178 N -5.35 0.76 0.20 1.70 1.70 -1.26 -5.04 118.95 111.66 3i3b s ARG 178 Ca 0.61 -0.65 -0.31 0.00 -0.47 0.00 0.00 55.73 54.91 3i3b s ARG 178 Cb -0.10 0.32 -0.11 0.00 -0.57 0.00 0.00 34.95 34.49 3i3b s ARG 178 CO 0.46 -0.23 1.62 0.00 -1.08 0.00 0.00 175.30 176.07 3i3b s ALA 179 N -2.81 3.83 0.00 7.88 0.00 -1.26 -4.61 121.76 124.78 3i3b s ALA 179 Ca -0.03 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.40 3i3b s ALA 179 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3i3b s ALA 179 CO -0.05 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.26 3i3b n GLY 180 N 3.53 0.70 3.73 0.00 0.00 -0.95 -4.97 105.19 107.24 3i3b n GLY 180 Ca 0.13 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 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 4.61 0.07 1.61 0.41 -1.26 -1.46 118.70 122.68 3i3b s GLU 181 Ca 0.00 1.57 0.02 0.00 -0.41 0.00 0.00 54.97 56.15 3i3b s GLU 181 Cb 0.00 -3.35 -0.03 0.00 -1.78 0.00 0.00 34.13 28.96 3i3b s GLU 181 CO 0.00 0.08 -0.07 -0.80 -0.49 0.00 0.00 175.26 173.98 3i3b s ASN 182 N 0.23 0.98 -0.05 -0.19 0.01 0.18 -4.86 114.94 111.25 3i3b s ASN 182 Ca 0.50 -0.81 0.01 0.00 -0.71 0.00 0.00 52.86 51.86 3i3b s ASN 182 Cb -0.26 0.07 0.02 0.00 0.41 0.00 0.00 41.25 41.50 3i3b s ASN 182 CO 0.31 -0.36 -0.07 -0.60 -1.51 0.00 0.00 177.10 174.88 3i3b s ARG 183 N -2.85 1.04 0.04 -0.60 3.52 -1.26 -0.02 118.95 118.83 3i3b s ARG 183 Ca 0.02 -0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.44 3i3b s ARG 183 Cb -0.01 -0.97 -0.04 0.00 -1.56 0.00 0.00 34.95 32.37 3i3b s ARG 183 CO -0.03 -0.04 0.12 -0.51 -0.81 0.00 0.00 175.30 174.04 3i3b s LEU 184 N 0.80 4.04 -0.08 -0.88 1.43 0.01 -1.04 118.68 122.95 3i3b s LEU 184 Ca -0.12 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3i3b s LEU 184 Cb -0.15 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.54 3i3b s LEU 184 CO 0.01 0.21 -0.02 0.00 0.23 0.00 0.00 176.35 176.78 3i3b s ALA 185 N -1.36 0.86 -0.17 4.21 0.00 -0.69 -1.83 121.76 122.78 3i3b s ALA 185 Ca 0.29 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.02 3i3b s ALA 185 Cb -0.12 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.23 3i3b s ALA 185 CO 0.21 -0.45 -0.15 0.08 0.00 0.00 0.00 175.76 175.45 3i3b s VAL 186 N 1.91 1.74 -0.51 0.00 1.01 0.34 -1.15 120.40 123.73 3i3b s VAL 186 Ca 0.05 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 3i3b s VAL 186 Cb -0.12 -1.65 0.12 0.00 0.00 0.00 0.00 36.38 34.73 3i3b s VAL 186 CO -0.06 0.41 0.44 -0.32 0.00 0.00 0.00 175.10 175.57 3i3b s MET 187 N 1.40 2.81 -0.22 2.72 1.75 -0.63 -0.46 119.30 126.67 3i3b s MET 187 Ca 0.03 -1.72 -0.20 0.00 -1.25 0.00 0.00 55.69 52.56 3i3b s MET 187 Cb -0.14 -4.16 -0.03 0.00 2.84 0.00 0.00 34.83 33.35 3i3b s MET 187 CO -0.11 -1.27 0.58 0.08 -0.65 0.00 0.00 175.02 173.65 3i3b s VAL 188 N 1.52 5.04 -0.15 10.11 1.01 -0.00 -1.90 120.40 136.03 3i3b s VAL 188 Ca 0.04 1.06 -0.14 0.00 0.00 0.00 0.00 61.98 62.93 3i3b s VAL 188 Cb -0.29 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 3i3b s VAL 188 CO 0.02 0.10 0.31 -0.76 0.00 0.00 0.00 175.10 174.78 3i3b s LEU 189 N 2.05 4.25 0.09 3.92 1.43 0.43 -0.95 118.68 129.90 3i3b s LEU 189 Ca 0.25 0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 53.71 3i3b s LEU 189 Cb -0.16 -2.41 -0.08 0.00 0.03 0.00 0.00 46.19 43.58 3i3b s LEU 189 CO 0.09 0.09 1.60 -0.09 0.23 0.00 0.00 176.35 178.28 3i3b h ARG 190 N 6.64 0.36 -6.38 1.70 2.43 -1.37 -1.50 114.38 116.25 3i3b h ARG 190 Ca -0.41 -0.08 -0.67 0.00 -0.81 0.00 0.00 59.98 58.01 3i3b h ARG 190 Cb 1.17 -0.05 -0.17 0.00 -0.42 0.00 0.00 29.97 30.49 3i3b h ARG 190 CO 0.75 0.45 -0.72 -1.58 -1.51 0.00 0.00 179.97 177.36 3i3b s TRP 191 N -5.39 2.82 0.36 2.20 0.23 -1.26 -3.85 118.94 114.05 3i3b s TRP 191 Ca -0.14 -0.09 -0.17 0.00 -2.03 0.00 0.00 56.10 53.68 3i3b s TRP 191 Cb 0.08 -1.55 0.05 0.00 0.03 0.00 0.00 33.47 32.07 3i3b s TRP 191 CO 0.72 0.37 0.77 -1.54 0.96 0.00 0.00 176.95 178.23 3i3b s SER 192 N -1.61 -0.04 0.57 2.95 1.04 -1.26 -4.90 113.70 110.45 3i3b s SER 192 Ca 0.18 -1.04 0.38 0.00 0.48 0.00 0.00 55.95 55.94 3i3b s SER 192 Cb -0.11 0.82 1.91 0.00 0.10 0.00 0.00 66.02 68.74 3i3b s SER 192 CO 0.09 -1.62 2.14 -2.24 0.98 0.00 0.00 173.24 172.59 3i3b h ASP 193 N 2.00 0.00 0.58 7.02 3.04 -0.79 0.06 116.42 128.34 3i3b h ASP 193 Ca -0.29 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.43 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 0.37 0.00 -0.31 1.23 -2.04 0.00 0.00 179.24 178.49 3i3b h GLY 194 N 0.67 0.00 1.85 7.15 0.00 -1.91 -2.71 103.07 108.13 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 0.06 1.76 0.00 0.00 0.00 176.54 178.36 3i3b h SER 195 N 0.00 0.00 1.07 0.19 0.02 -1.33 0.13 113.55 113.63 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 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3i3b h SER 195 CO 0.04 0.00 0.00 1.88 -1.14 0.00 0.00 176.83 177.61 3i3b h TYR 196 N 0.00 0.00 -0.41 3.45 0.05 -1.62 -2.55 116.97 115.89 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 0.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 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 -2.71 3.13 -2.81 3.88 4.77 0.02 -4.29 117.00 118.99 3i3b n LEU 197 Ca 0.02 -1.83 -0.22 0.00 -0.03 0.00 0.00 56.01 53.95 3i3b n LEU 197 Cb 0.32 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 3i3b n LEU 197 CO 0.26 0.75 0.03 -0.62 -1.33 0.00 0.00 177.39 176.48 3i3b n GLU 198 N 0.92 2.44 -1.30 3.23 1.02 -0.96 0.67 120.64 126.67 3i3b n GLU 198 Ca 0.15 -4.16 -0.32 0.00 -0.02 0.00 0.00 57.16 52.81 3i3b n GLU 198 Cb 0.48 -1.95 0.10 0.00 -0.02 0.00 0.00 31.44 30.05 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 6.87 -4.77 1.62 2.03 0.44 -4.96 116.55 117.61 3i3b n ASP 199 Ca 0.28 -3.73 -0.40 0.00 0.52 0.00 0.00 54.79 51.46 3i3b n ASP 199 Cb 0.60 -0.95 -0.00 0.00 -0.72 0.00 0.00 41.12 40.05 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 -3.67 3.96 -1.14 -0.67 1.11 -1.26 -4.58 119.66 113.40 3i3b s GLN 200 Ca 0.63 2.23 -0.22 0.00 0.01 0.00 0.00 55.36 58.00 3i3b s GLN 200 Cb 0.50 -2.78 -0.06 0.00 -1.01 0.00 0.00 33.01 29.66 3i3b s GLN 200 CO 0.01 -0.52 1.90 0.34 0.01 0.00 0.00 175.29 177.03 3i3b s ASP 201 N -0.64 5.30 0.38 5.90 2.15 -1.26 -4.79 116.67 123.72 3i3b s ASP 201 Ca 0.57 -1.58 -0.16 0.00 0.43 0.00 0.00 52.55 51.81 3i3b s ASP 201 Cb -0.40 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 39.70 3i3b s ASP 201 CO 0.51 -2.76 0.80 0.00 -0.17 0.00 0.00 175.17 173.55 3i3b s MET 202 N 6.26 2.23 0.31 4.34 0.23 -1.26 -4.99 119.30 126.42 3i3b s MET 202 Ca 0.66 -1.43 -0.29 0.00 -1.03 0.00 0.00 55.69 53.60 3i3b s MET 202 Cb -0.01 0.62 -0.10 0.00 -1.53 0.00 0.00 34.83 33.81 3i3b s MET 202 CO 0.10 -1.04 1.35 -1.58 -2.03 0.00 0.00 175.02 171.81 3i3b s TRP 203 N -2.28 3.02 -0.45 3.16 0.52 -1.26 -4.22 118.94 117.43 3i3b s TRP 203 Ca 0.16 1.31 -0.16 0.00 0.02 0.00 0.00 56.10 57.42 3i3b s TRP 203 Cb -0.05 -3.73 0.04 0.00 -1.15 0.00 0.00 33.47 28.59 3i3b s TRP 203 CO 0.11 -2.11 0.42 1.03 0.02 0.00 0.00 176.95 176.43 3i3b s ARG 204 N -1.43 3.03 0.13 4.98 1.81 0.20 -4.94 118.95 122.73 3i3b s ARG 204 Ca 0.52 -1.05 0.00 0.00 -1.72 0.00 0.00 55.73 53.48 3i3b s ARG 204 Cb -0.40 -4.05 -0.00 0.00 -0.45 0.00 0.00 34.95 30.05 3i3b s ARG 204 CO 0.51 -0.95 0.01 -1.33 -0.68 0.00 0.00 175.30 172.87 3i3b n MET 205 N 5.45 1.37 -3.81 3.54 2.81 -1.26 -2.54 117.12 122.68 3i3b n MET 205 Ca -0.10 -0.96 -0.05 0.00 -1.81 0.00 0.00 57.70 54.78 3i3b n MET 205 Cb 0.46 0.35 -0.01 0.00 -0.71 0.00 0.00 33.22 33.30 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 -1.72 -0.20 0.00 7.83 1.04 -1.26 -4.82 113.70 114.58 3i3b s SER 206 Ca 0.02 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.90 3i3b s SER 206 Cb 0.00 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3i3b s SER 206 CO 0.01 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.69 3i3b n GLY 207 N -0.48 -0.08 3.43 7.32 0.00 0.08 -1.83 105.19 113.63 3i3b n GLY 207 Ca -0.05 -2.27 -0.44 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 -0.21 5.04 -2.22 -0.61 1.01 -1.20 -1.25 121.20 121.76 3i3b s ILE 208 Ca 0.00 -2.17 0.26 0.00 0.00 0.00 0.00 60.65 58.74 3i3b s ILE 208 Cb 0.00 -4.77 0.30 0.00 0.01 0.00 0.00 42.46 38.01 3i3b s ILE 208 CO 0.00 -1.46 1.50 2.22 0.00 0.00 0.00 174.94 177.21 3i3b n PHE 209 N 5.63 0.00 -4.54 3.97 -1.74 -0.99 -0.55 117.46 119.25 3i3b n PHE 209 Ca 0.27 0.00 -0.25 0.00 -0.56 0.00 0.00 57.45 56.90 3i3b n PHE 209 Cb 0.46 -0.04 -0.10 0.00 1.52 0.00 0.00 39.48 41.32 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 -2.26 1.84 0.71 3.97 0.52 -1.13 -4.43 118.95 118.16 3i3b s ARG 210 Ca 0.28 -2.07 -0.16 0.00 -0.52 0.00 0.00 55.73 53.26 3i3b s ARG 210 Cb 0.20 -1.08 -0.02 0.00 0.52 0.00 0.00 34.95 34.56 3i3b s ARG 210 CO 0.44 -0.23 0.77 -0.25 0.02 0.00 0.00 175.30 176.05 3i3b n ASP 211 N -0.93 -0.26 -3.99 0.23 8.00 -1.26 -4.45 116.55 113.90 3i3b n ASP 211 Ca -0.06 0.65 -0.24 0.00 0.71 0.00 0.00 54.79 55.85 3i3b n ASP 211 Cb 0.66 -1.32 -0.17 0.00 -0.02 0.00 0.00 41.12 40.28 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 -1.83 1.01 0.23 2.53 1.01 -1.26 -0.93 120.40 121.16 3i3b s VAL 212 Ca 0.70 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 62.14 3i3b s VAL 212 Cb -0.36 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.08 3i3b s VAL 212 CO 0.53 0.33 0.49 -0.94 0.00 0.00 0.00 175.10 175.52 3i3b s SER 213 N 0.82 -0.13 -0.07 3.32 1.04 -0.55 0.06 113.70 118.19 3i3b s SER 213 Ca -0.12 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 55.56 3i3b s SER 213 Cb -0.15 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 3i3b s SER 213 CO 0.02 -1.11 -0.16 -0.76 0.98 0.00 0.00 173.24 172.20 3i3b s LEU 214 N -2.97 2.59 -0.10 2.42 1.43 0.31 -0.14 118.68 122.22 3i3b s LEU 214 Ca 0.18 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 3i3b s LEU 214 Cb -0.01 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.69 3i3b s LEU 214 CO 0.05 0.28 -0.17 -0.22 0.23 0.00 0.00 176.35 176.52 3i3b s LEU 215 N -0.37 1.82 -0.22 1.79 2.96 -0.44 -0.70 118.68 123.53 3i3b s LEU 215 Ca 0.03 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 3i3b s LEU 215 Cb -0.12 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 3i3b s LEU 215 CO 0.02 0.06 0.06 -2.28 -1.32 0.00 0.00 176.35 172.89 3i3b s HIS 216 N 0.71 3.12 0.12 5.38 5.65 -0.23 -1.17 115.29 128.88 3i3b s HIS 216 Ca -0.12 -0.27 0.10 0.00 0.25 0.00 0.00 55.06 55.01 3i3b s HIS 216 Cb -0.16 -2.17 -0.04 0.00 -1.18 0.00 0.00 32.58 29.03 3i3b s HIS 216 CO 0.03 -0.19 -0.24 0.15 -0.65 0.00 0.00 174.74 173.83 3i3b s LYS 217 N 1.16 1.30 0.79 2.88 -0.14 0.47 -4.74 119.74 121.45 3i3b s LYS 217 Ca 0.04 -1.29 -0.11 0.00 -1.36 0.00 0.00 55.97 53.25 3i3b s LYS 217 Cb -0.14 -1.70 0.07 0.00 -1.68 0.00 0.00 37.83 34.37 3i3b s LYS 217 CO 0.03 0.40 1.09 -2.14 -0.76 0.00 0.00 175.35 173.97 3i3b s PRO 218 N -2.04 2.15 0.15 -1.68 0.02 -1.26 0.96 135.00 133.30 3i3b s PRO 218 Ca 0.11 0.69 -0.16 0.00 0.02 0.00 0.00 61.00 61.67 3i3b s PRO 218 Cb -0.10 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.52 3i3b s PRO 218 CO 0.06 -1.59 1.80 1.15 -0.33 0.00 0.00 177.00 178.08 3i3b h THR 219 N -1.07 1.13 -3.48 0.99 2.02 -1.93 -3.33 112.91 107.24 3i3b h THR 219 Ca -0.47 -0.27 -0.63 0.00 0.77 0.00 0.00 66.41 65.80 3i3b h THR 219 Cb 1.26 0.54 -0.14 0.00 -1.74 0.00 0.00 68.15 68.07 3i3b h THR 219 CO 0.59 0.13 0.33 -0.89 0.37 0.00 0.00 175.52 176.05 3i3b s THR 220 N -6.05 4.64 0.12 3.16 2.01 -1.26 -4.04 115.64 114.22 3i3b s THR 220 Ca -0.13 0.24 -0.00 0.00 0.31 0.00 0.00 61.69 62.11 3i3b s THR 220 Cb 0.11 -4.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 3i3b s THR 220 CO 0.73 -0.80 0.01 0.00 -0.69 0.00 0.00 174.62 173.88 3i3b s GLN 221 N 3.29 0.88 -0.23 4.92 -2.07 -0.61 -4.89 119.66 120.96 3i3b s GLN 221 Ca 0.27 -1.40 -0.25 0.00 -1.82 0.00 0.00 55.36 52.16 3i3b s GLN 221 Cb -0.13 0.09 -0.00 0.00 -1.09 0.00 0.00 33.01 31.87 3i3b s GLN 221 CO 0.20 -0.18 0.87 0.42 -1.32 0.00 0.00 175.29 175.28 3i3b s ILE 222 N -3.90 4.81 -1.35 3.63 1.01 -1.26 -1.56 121.20 122.58 3i3b s ILE 222 Ca 0.19 1.65 0.18 0.00 0.00 0.00 0.00 60.65 62.67 3i3b s ILE 222 Cb 0.07 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.32 3i3b s ILE 222 CO -0.01 -0.08 0.85 -1.54 0.00 0.00 0.00 174.94 174.16 3i3b n SER 223 N 6.00 1.42 0.00 3.58 3.41 -0.29 -4.92 113.62 122.82 3i3b n SER 223 Ca 0.07 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 3i3b n SER 223 Cb 0.47 0.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 3i3b n SER 223 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3i3b n ASP 224 N -0.54 0.00 -3.68 4.04 2.03 -1.21 -4.88 116.55 112.30 3i3b n ASP 224 Ca 0.06 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.23 3i3b n ASP 224 Cb 0.34 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.65 3i3b n ASP 224 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3i3b s PHE 225 N -1.90 -0.61 -0.06 -0.67 -0.71 -1.26 -0.30 117.98 112.47 3i3b s PHE 225 Ca 0.00 1.49 0.06 0.00 -1.04 0.00 0.00 56.93 57.44 3i3b s PHE 225 Cb 0.00 0.21 -0.01 0.00 -1.21 0.00 0.00 43.02 42.01 3i3b s PHE 225 CO 0.00 -0.30 -0.24 -1.01 -1.34 0.00 0.00 175.22 172.33 3i3b s HIS 226 N 0.31 2.37 -0.16 3.49 3.76 -0.46 -4.82 115.29 119.78 3i3b s HIS 226 Ca -0.00 -0.71 -0.01 0.00 -0.15 0.00 0.00 55.06 54.19 3i3b s HIS 226 Cb -0.04 -1.55 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 3i3b s HIS 226 CO 0.00 -0.22 -0.12 0.08 -0.85 0.00 0.00 174.74 173.64 3i3b s VAL 227 N -0.13 2.99 0.05 -0.90 1.01 -1.26 -1.50 120.40 120.65 3i3b s VAL 227 Ca -0.04 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.34 3i3b s VAL 227 Cb -0.14 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3i3b s VAL 227 CO 0.04 0.50 -0.17 0.00 0.00 0.00 0.00 175.10 175.46 3i3b s ALA 228 N 0.79 1.46 -0.14 5.51 0.00 -0.01 -4.85 121.76 124.51 3i3b s ALA 228 Ca -0.04 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 3i3b s ALA 228 Cb -0.15 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.76 3i3b s ALA 228 CO 0.01 0.30 -0.07 0.95 0.00 0.00 0.00 175.76 176.94 3i3b s THR 229 N -0.89 1.11 0.13 0.00 -4.23 -1.26 -0.52 115.64 109.97 3i3b s THR 229 Ca 0.04 -0.47 0.07 0.00 -1.18 0.00 0.00 61.69 60.15 3i3b s THR 229 Cb -0.09 -1.19 -0.04 0.00 1.34 0.00 0.00 72.50 72.53 3i3b s THR 229 CO 0.02 0.26 -0.06 -0.13 -0.54 0.00 0.00 174.62 174.17 3i3b s ARG 230 N 1.66 2.25 0.26 3.99 0.52 -0.89 -4.84 118.95 121.90 3i3b s ARG 230 Ca 0.03 -1.06 0.04 0.00 -0.52 0.00 0.00 55.73 54.22 3i3b s ARG 230 Cb -0.14 -2.33 -0.05 0.00 0.52 0.00 0.00 34.95 32.95 3i3b s ARG 230 CO -0.08 0.49 0.01 -0.06 0.02 0.00 0.00 175.30 175.68 3i3b s PHE 231 N -1.45 1.69 0.81 -0.53 0.40 -1.26 -1.78 117.98 115.86 3i3b s PHE 231 Ca 0.24 -0.93 -0.06 0.00 -0.60 0.00 0.00 56.93 55.58 3i3b s PHE 231 Cb -0.10 -1.01 0.15 0.00 0.51 0.00 0.00 43.02 42.57 3i3b s PHE 231 CO 0.16 -0.02 1.11 0.54 0.70 0.00 0.00 175.22 177.71 3i3b s ASN 232 N -3.36 3.90 0.42 1.36 4.22 -0.91 -4.96 114.94 115.61 3i3b s ASN 232 Ca 0.31 -0.15 0.12 0.00 -2.14 0.00 0.00 52.86 51.00 3i3b s ASN 232 Cb 0.06 -0.10 0.97 0.00 1.28 0.00 0.00 41.25 43.46 3i3b s ASN 232 CO 0.11 -2.18 1.99 -2.24 -2.04 0.00 0.00 177.10 172.74 3i3b h ASP 233 N -0.93 0.41 -0.47 3.54 3.04 -2.01 -2.80 116.42 117.20 3i3b h ASP 233 Ca -0.39 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.40 3i3b h ASP 233 Cb 1.26 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.46 3i3b h ASP 233 CO 0.39 0.26 0.00 -0.90 -2.04 0.00 0.00 179.24 176.95 3i3b n ASP 234 N -4.47 3.87 -1.60 4.15 5.68 -1.26 -4.95 116.55 117.97 3i3b n ASP 234 Ca 0.08 -2.36 -0.19 0.00 -0.50 0.00 0.00 54.79 51.82 3i3b n ASP 234 Cb 0.30 -0.44 -0.07 0.00 -1.14 0.00 0.00 41.12 39.76 3i3b n ASP 234 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3i3b n PHE 235 N 0.64 -0.14 0.89 2.11 3.01 -1.06 -4.85 117.46 118.06 3i3b n PHE 235 Ca 0.20 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.78 3i3b n PHE 235 Cb 0.70 -3.35 0.33 0.00 -0.01 0.00 0.00 39.48 37.16 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 -1.22 0.44 -3.83 4.37 3.41 -1.26 -4.52 113.62 111.00 3i3b n SER 236 Ca -0.20 0.06 -0.13 0.00 -0.26 0.00 0.00 58.87 58.34 3i3b n SER 236 Cb 0.64 -0.02 -0.15 0.00 -0.26 0.00 0.00 64.21 64.43 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 -3.04 -0.01 0.11 4.33 0.52 -1.26 0.04 118.95 119.63 3i3b s ARG 237 Ca 0.11 0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.41 3i3b s ARG 237 Cb 0.17 -0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.50 3i3b s ARG 237 CO 0.66 -0.06 -0.08 0.00 0.02 0.00 0.00 175.30 175.83 3i3b s ALA 238 N 0.39 1.14 -0.11 2.13 0.00 0.67 -2.15 121.76 123.83 3i3b s ALA 238 Ca -0.03 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.57 3i3b s ALA 238 Cb -0.05 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3i3b s ALA 238 CO -0.01 -0.16 -0.11 0.08 0.00 0.00 0.00 175.76 175.56 3i3b s VAL 239 N -3.33 1.21 -0.27 0.00 1.01 -0.73 -0.25 120.40 118.04 3i3b s VAL 239 Ca 0.12 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 3i3b s VAL 239 Cb 0.03 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 3i3b s VAL 239 CO -0.02 0.39 0.17 -0.22 0.00 0.00 0.00 175.10 175.42 3i3b s LEU 240 N 1.40 3.99 -0.17 3.92 0.20 0.14 -2.09 118.68 126.06 3i3b s LEU 240 Ca 0.00 -0.00 -0.02 0.00 0.69 0.00 0.00 54.13 54.79 3i3b s LEU 240 Cb -0.13 -2.10 -0.01 0.00 -0.43 0.00 0.00 46.19 43.51 3i3b s LEU 240 CO -0.06 -0.03 -0.07 -0.70 -0.29 0.00 0.00 176.35 175.20 3i3b s GLU 241 N 1.60 3.44 -0.18 1.98 2.12 0.32 0.05 118.70 128.03 3i3b s GLU 241 Ca 0.07 -0.63 0.01 0.00 0.36 0.00 0.00 54.97 54.78 3i3b s GLU 241 Cb -0.15 -2.85 0.03 0.00 0.26 0.00 0.00 34.13 31.41 3i3b s GLU 241 CO 0.09 0.04 -0.13 0.00 -0.54 0.00 0.00 175.26 174.72 3i3b s ALA 242 N 0.85 2.02 -0.20 6.30 0.00 0.55 -0.83 121.76 130.45 3i3b s ALA 242 Ca -0.02 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.69 3i3b s ALA 242 Cb -0.15 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 3i3b s ALA 242 CO 0.01 -0.60 0.30 -2.00 0.00 0.00 0.00 175.76 173.47 3i3b s GLU 243 N 1.40 4.17 -0.07 0.00 2.12 -0.56 -0.61 118.70 125.15 3i3b s GLU 243 Ca 0.02 0.03 0.05 0.00 0.36 0.00 0.00 54.97 55.42 3i3b s GLU 243 Cb -0.15 -3.51 -0.01 0.00 0.26 0.00 0.00 34.13 30.73 3i3b s GLU 243 CO -0.10 0.07 -0.22 0.08 -0.54 0.00 0.00 175.26 174.55 3i3b s VAL 244 N 1.00 2.27 0.09 3.70 1.01 0.54 -1.36 120.40 127.65 3i3b s VAL 244 Ca 0.15 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.23 3i3b s VAL 244 Cb -0.14 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3i3b s VAL 244 CO 0.06 0.57 -0.17 -1.10 0.00 0.00 0.00 175.10 174.45 3i3b s GLN 245 N -0.08 1.93 0.11 2.72 -0.21 0.59 -1.92 119.66 122.79 3i3b s GLN 245 Ca -0.05 -1.09 0.03 0.00 0.02 0.00 0.00 55.36 54.27 3i3b s GLN 245 Cb -0.14 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.67 3i3b s GLN 245 CO 0.04 0.51 -0.09 0.00 -2.12 0.00 0.00 175.29 173.63 3i3b s MET 246 N -1.87 0.89 0.08 2.91 0.23 -0.86 -1.14 119.30 119.53 3i3b s MET 246 Ca 0.17 -1.28 0.07 0.00 -1.03 0.00 0.00 55.69 53.62 3i3b s MET 246 Cb -0.11 -0.43 -0.03 0.00 -1.53 0.00 0.00 34.83 32.73 3i3b s MET 246 CO 0.08 0.04 -0.18 0.00 -2.03 0.00 0.00 175.02 172.93 3i3b n GLY 248 N 1.37 -0.21 3.71 0.00 0.00 -1.26 -1.57 105.19 107.23 3i3b n GLY 248 Ca -0.19 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.13 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 -0.60 4.46 0.08 1.61 2.12 -1.26 -5.00 118.70 120.11 3i3b s GLU 249 Ca 0.00 1.69 -0.30 0.00 0.36 0.00 0.00 54.97 56.72 3i3b s GLU 249 Cb 0.00 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 3i3b s GLU 249 CO 0.00 -0.20 1.05 -0.51 -0.54 0.00 0.00 175.26 175.06 3i3b s LEU 250 N 1.03 4.42 0.04 2.70 1.43 -1.26 -5.01 118.68 122.04 3i3b s LEU 250 Ca 0.57 1.87 0.04 0.00 -1.03 0.00 0.00 54.13 55.58 3i3b s LEU 250 Cb -0.27 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.34 3i3b s LEU 250 CO 0.29 -0.26 -0.11 -0.13 0.23 0.00 0.00 176.35 176.37 3i3b s ARG 251 N 0.50 0.73 0.58 1.70 1.81 -1.26 -5.04 118.95 117.97 3i3b s ARG 251 Ca 0.52 -0.74 0.36 0.00 -1.72 0.00 0.00 55.73 54.15 3i3b s ARG 251 Cb -0.25 -0.66 1.64 0.00 -0.45 0.00 0.00 34.95 35.22 3i3b s ARG 251 CO 0.30 0.15 2.09 -0.44 -0.68 0.00 0.00 175.30 176.72 3i3b h ASP 252 N 4.76 0.00 0.48 0.23 3.32 -1.99 -2.31 116.42 120.91 3i3b h ASP 252 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 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 0.43 0.01 -0.18 0.00 -1.72 0.00 0.00 179.24 177.78 3i3b n TYR 253 N -3.10 0.00 -2.33 4.55 0.18 -1.26 -4.87 117.16 110.32 3i3b n TYR 253 Ca -0.00 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.42 3i3b n TYR 253 Cb 0.25 -0.24 -0.01 0.00 -0.38 0.00 0.00 39.34 38.95 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 -2.66 3.92 0.08 -3.48 1.43 -0.87 0.40 118.68 117.49 3i3b s LEU 254 Ca 0.23 2.18 -0.08 0.00 -1.03 0.00 0.00 54.13 55.42 3i3b s LEU 254 Cb 0.19 -4.38 -0.00 0.00 0.03 0.00 0.00 46.19 42.02 3i3b s LEU 254 CO 0.53 -0.94 0.17 -0.13 0.23 0.00 0.00 176.35 176.21 3i3b s ARG 255 N -2.93 0.79 -0.07 1.70 1.81 0.28 -4.28 118.95 116.25 3i3b s ARG 255 Ca 0.66 -0.92 0.00 0.00 -1.72 0.00 0.00 55.73 53.75 3i3b s ARG 255 Cb -0.25 0.32 0.02 0.00 -0.45 0.00 0.00 34.95 34.60 3i3b s ARG 255 CO 0.29 -0.24 -0.06 0.08 -0.68 0.00 0.00 175.30 174.70 3i3b s VAL 256 N -3.63 0.73 -0.09 3.52 1.01 -0.52 -0.83 120.40 120.59 3i3b s VAL 256 Ca 0.03 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.88 3i3b s VAL 256 Cb 0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 3i3b s VAL 256 CO -0.10 0.29 -0.21 -0.89 0.00 0.00 0.00 175.10 174.20 3i3b s THR 257 N 1.30 2.39 -0.14 3.92 2.01 -0.32 -1.75 115.64 123.06 3i3b s THR 257 Ca -0.04 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.06 3i3b s THR 257 Cb -0.14 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.45 3i3b s THR 257 CO -0.03 0.56 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.56 3i3b s VAL 258 N 0.05 2.15 0.03 3.82 1.01 0.44 -1.00 120.40 126.90 3i3b s VAL 258 Ca -0.08 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.00 3i3b s VAL 258 Cb -0.15 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 3i3b s VAL 258 CO 0.05 0.55 -0.18 -0.94 0.00 0.00 0.00 175.10 174.58 3i3b s SER 259 N 0.73 2.19 -0.14 3.32 1.04 -0.85 -0.49 113.70 119.50 3i3b s SER 259 Ca -0.09 -0.47 -0.02 0.00 0.48 0.00 0.00 55.95 55.85 3i3b s SER 259 Cb -0.16 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.76 3i3b s SER 259 CO 0.00 0.13 -0.08 -0.22 0.98 0.00 0.00 173.24 174.06 3i3b s LEU 260 N -1.06 3.04 -0.02 2.42 2.96 0.19 -1.60 118.68 124.62 3i3b s LEU 260 Ca 0.06 -0.19 0.08 0.00 -0.22 0.00 0.00 54.13 53.85 3i3b s LEU 260 Cb -0.08 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 3i3b s LEU 260 CO 0.01 0.19 -0.25 0.26 -1.32 0.00 0.00 176.35 175.23 3i3b s TRP 261 N 0.25 2.35 -0.46 5.38 0.52 0.13 -0.16 118.94 126.95 3i3b s TRP 261 Ca -0.05 -0.44 0.01 0.00 0.02 0.00 0.00 56.10 55.64 3i3b s TRP 261 Cb -0.15 -1.51 0.12 0.00 -1.15 0.00 0.00 33.47 30.78 3i3b s TRP 261 CO 0.04 -0.04 0.21 -1.14 0.02 0.00 0.00 176.95 176.04 3i3b s GLN 262 N -0.59 1.93 6.99 4.98 2.00 0.51 -0.31 119.66 135.18 3i3b s GLN 262 Ca 0.09 -2.20 0.00 0.00 -2.00 0.00 0.00 55.36 51.25 3i3b s GLN 262 Cb -0.10 -3.42 0.00 0.00 0.80 0.00 0.00 33.01 30.29 3i3b s GLN 262 CO -0.01 -1.06 0.00 0.41 -0.50 0.00 0.00 175.29 174.13 3i3b n GLY 263 N 3.85 1.92 0.99 2.59 0.00 -1.26 -1.62 105.19 111.67 3i3b n GLY 263 Ca 0.04 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.77 3i3b n GLY 263 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i3b n GLU 264 N 12.97 2.31 -3.41 1.61 2.13 -1.26 -4.89 120.64 130.10 3i3b n GLU 264 Ca 0.00 -1.97 -0.37 0.00 0.66 0.00 0.00 57.16 55.48 3i3b n GLU 264 Cb 0.00 -1.48 -0.06 0.00 0.27 0.00 0.00 31.44 30.17 3i3b n GLU 264 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3i3b s THR 265 N -1.60 5.22 -0.24 6.31 2.01 -0.64 -5.05 115.64 121.65 3i3b s THR 265 Ca 0.36 0.80 -0.25 0.00 0.31 0.00 0.00 61.69 62.91 3i3b s THR 265 Cb 0.21 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.98 3i3b s THR 265 CO 0.30 0.36 0.84 -1.58 -0.69 0.00 0.00 174.62 173.86 3i3b s GLN 266 N 0.46 4.19 -0.10 4.92 0.74 -1.26 -0.36 119.66 128.25 3i3b s GLN 266 Ca 0.22 0.97 -0.16 0.00 0.05 0.00 0.00 55.36 56.44 3i3b s GLN 266 Cb -0.14 -3.64 -0.28 0.00 1.10 0.00 0.00 33.01 30.05 3i3b s GLN 266 CO 0.08 -0.52 0.60 0.28 -0.55 0.00 0.00 175.29 175.18 3i3b h VAL 267 N 5.43 1.08 -3.02 1.34 2.07 -0.91 -3.48 116.25 118.76 3i3b h VAL 267 Ca -0.23 -2.42 -0.04 0.00 0.82 0.00 0.00 66.70 64.83 3i3b h VAL 267 Cb 1.09 2.77 -0.14 0.00 -1.52 0.00 0.00 31.29 33.49 3i3b h VAL 267 CO 0.88 0.71 0.06 0.00 0.02 0.00 0.00 177.57 179.24 3i3b s ALA 268 N -2.47 -1.31 -0.10 1.67 0.00 -1.14 -4.98 121.76 113.42 3i3b s ALA 268 Ca -0.19 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 51.98 3i3b s ALA 268 Cb 0.04 0.64 0.04 0.00 0.00 0.00 0.00 23.12 23.84 3i3b s ALA 268 CO 0.77 -0.63 0.43 0.45 0.00 0.00 0.00 175.76 176.78 3i3b s SER 269 N -2.47 -0.40 -0.10 0.00 0.15 -1.26 0.57 113.70 110.20 3i3b s SER 269 Ca -0.01 0.62 -0.09 0.00 0.70 0.00 0.00 55.95 57.17 3i3b s SER 269 Cb 0.00 0.68 0.03 0.00 -1.71 0.00 0.00 66.02 65.01 3i3b s SER 269 CO -0.08 -0.30 0.27 -0.83 1.20 0.00 0.00 173.24 173.50 3i3b s GLY 270 N -0.42 -0.20 0.11 9.45 0.00 0.36 -4.99 107.32 111.62 3i3b s GLY 270 Ca -0.06 0.75 0.07 0.00 0.00 0.00 0.00 44.72 45.48 3i3b s GLY 270 CO 0.03 0.64 -0.18 -1.59 0.00 0.00 0.00 173.10 172.00 3i3b s THR 271 N 0.10 1.53 -0.18 0.90 2.01 -1.26 -0.42 115.64 118.31 3i3b s THR 271 Ca -0.00 -1.55 -0.30 0.00 0.31 0.00 0.00 61.69 60.14 3i3b s THR 271 Cb -0.02 -1.47 0.14 0.00 0.01 0.00 0.00 72.50 71.16 3i3b s THR 271 CO 0.00 -0.18 1.09 0.00 -0.69 0.00 0.00 174.62 174.84 3i3b s ALA 272 N -1.43 -1.98 0.80 7.40 0.00 -0.72 -5.00 121.76 120.83 3i3b s ALA 272 Ca 0.06 1.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.55 3i3b s ALA 272 Cb -0.09 -0.83 0.09 0.00 0.00 0.00 0.00 23.12 22.28 3i3b s ALA 272 CO 0.04 -0.32 1.16 -1.25 0.00 0.00 0.00 175.76 175.39 3i3b s PRO 273 N -1.22 1.91 0.69 0.00 0.04 -1.26 -1.44 135.00 133.72 3i3b s PRO 273 Ca 0.01 -0.01 -0.12 0.00 0.04 0.00 0.00 61.00 60.92 3i3b s PRO 273 Cb -0.01 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.56 3i3b s PRO 273 CO -0.01 -1.59 1.08 -0.06 0.04 0.00 0.00 177.00 176.46 3i3b s PHE 274 N -3.53 2.82 0.00 0.56 0.08 -1.26 -4.86 117.98 111.79 3i3b s PHE 274 Ca 0.63 1.51 0.00 0.00 0.12 0.00 0.00 56.93 59.18 3i3b s PHE 274 Cb -0.10 -3.01 0.00 0.00 -0.57 0.00 0.00 43.02 39.33 3i3b s PHE 274 CO 0.48 -1.48 0.00 0.41 -0.10 0.00 0.00 175.22 174.54 3i3b n GLY 275 N -1.26 2.48 3.95 4.36 0.00 0.26 -4.97 105.19 110.01 3i3b n GLY 275 Ca 0.09 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 1.75 0.93 -0.02 0.00 0.77 -4.77 107.32 105.98 3i3b s GLY 276 Ca 0.00 -1.33 -0.11 0.00 0.00 0.00 0.00 44.72 43.28 3i3b s GLY 276 CO 0.00 -0.75 1.09 -1.83 0.00 0.00 0.00 173.10 171.61 3i3b s GLU 277 N -5.40 0.97 0.18 2.90 -1.05 -1.26 -4.48 118.70 110.55 3i3b s GLU 277 Ca 0.67 0.95 -0.31 0.00 -0.15 0.00 0.00 54.97 56.13 3i3b s GLU 277 Cb -0.06 -1.76 -0.10 0.00 -0.44 0.00 0.00 34.13 31.76 3i3b s GLU 277 CO 0.47 -2.48 1.53 0.42 0.95 0.00 0.00 175.26 176.15 3i3b s ILE 278 N -2.82 2.68 -0.27 1.83 1.01 -1.26 -4.24 121.20 118.13 3i3b s ILE 278 Ca 0.64 0.50 -0.07 0.00 0.00 0.00 0.00 60.65 61.73 3i3b s ILE 278 Cb -0.20 -3.32 -0.14 0.00 0.01 0.00 0.00 42.46 38.81 3i3b s ILE 278 CO 0.58 0.05 -0.30 -0.38 0.00 0.00 0.00 174.94 174.89 3i3b n ILE 279 N 3.63 1.51 -2.93 2.92 2.08 0.90 -4.90 119.36 122.58 3i3b n ILE 279 Ca 0.12 -0.47 0.00 0.00 0.56 0.00 0.00 62.75 62.96 3i3b n ILE 279 Cb 0.39 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 37.60 3i3b n ILE 279 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3i3b n ASP 280 N -3.82 0.00 0.34 4.38 5.68 -0.95 -5.01 116.55 117.16 3i3b n ASP 280 Ca -0.51 -0.63 0.19 0.00 -0.50 0.00 0.00 54.79 53.34 3i3b n ASP 280 Cb 0.93 0.00 1.04 0.00 -1.14 0.00 0.00 41.12 41.95 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 -0.02 0.11 3.07 -2.05 -1.40 114.58 114.30 3i3b h GLU 281 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i3b h GLU 281 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3i3b h GLU 281 CO 0.00 0.00 -0.32 0.54 -1.40 0.00 0.00 179.01 177.83 3i3b n ARG 282 N -2.99 1.29 0.00 2.33 5.12 -1.26 -5.08 116.66 116.07 3i3b n ARG 282 Ca -0.03 -0.98 0.00 0.00 -1.93 0.00 0.00 57.85 54.91 3i3b n ARG 282 Cb 0.21 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 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 1.37 0.20 0.00 -0.13 0.00 -0.53 -5.06 105.19 101.04 3i3b n GLY 283 Ca 0.11 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 4.99 3.48 -0.02 0.00 -1.26 -0.07 105.19 112.31 3i3b n GLY 284 Ca 0.00 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.04 3.03 -0.16 1.61 2.02 -1.26 -4.90 117.35 116.65 3i3b s TYR 285 Ca 0.00 -0.33 0.29 0.00 -0.37 0.00 0.00 57.07 56.66 3i3b s TYR 285 Cb 0.00 -3.52 1.01 0.00 -0.40 0.00 0.00 41.96 39.05 3i3b s TYR 285 CO 0.00 -1.01 1.84 0.00 -1.57 0.00 0.00 175.55 174.81 3i3b h ALA 286 N 8.99 1.00 -0.58 3.71 0.00 -1.93 0.22 119.26 130.67 3i3b h ALA 286 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3i3b h ALA 286 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3i3b h ALA 286 CO 0.95 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.80 3i3b n ASP 287 N -2.95 5.64 -4.10 0.00 5.75 -1.26 -3.02 116.55 116.60 3i3b n ASP 287 Ca 0.02 -2.89 -0.08 0.00 -0.01 0.00 0.00 54.79 51.83 3i3b n ASP 287 Cb 0.37 -0.68 -0.10 0.00 -1.03 0.00 0.00 41.12 39.68 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 -2.68 0.65 -0.10 0.11 0.52 -1.11 -2.03 118.95 114.30 3i3b s ARG 288 Ca 0.54 -1.23 -0.23 0.00 -0.52 0.00 0.00 55.73 54.28 3i3b s ARG 288 Cb 0.41 0.14 0.05 0.00 0.52 0.00 0.00 34.95 36.07 3i3b s ARG 288 CO 0.16 -0.09 0.56 0.54 0.02 0.00 0.00 175.30 176.49 3i3b s VAL 289 N -3.85 0.01 -0.15 3.52 0.11 -0.81 -0.57 120.40 118.66 3i3b s VAL 289 Ca 0.08 -0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 3i3b s VAL 289 Cb 0.07 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 3i3b s VAL 289 CO -0.09 -0.06 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.52 3i3b s THR 290 N -0.72 2.04 -0.17 5.04 2.01 -1.26 -0.34 115.64 122.25 3i3b s THR 290 Ca -0.08 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 60.89 3i3b s THR 290 Cb -0.03 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 3i3b s THR 290 CO 0.06 0.54 0.09 -0.76 -0.69 0.00 0.00 174.62 173.86 3i3b s LEU 291 N 1.00 4.02 -0.15 4.42 2.01 0.23 -4.93 118.68 125.27 3i3b s LEU 291 Ca -0.03 0.20 0.02 0.00 0.01 0.00 0.00 54.13 54.33 3i3b s LEU 291 Cb -0.15 -2.01 0.01 0.00 0.01 0.00 0.00 46.19 44.05 3i3b s LEU 291 CO -0.06 0.24 -0.19 -0.13 1.01 0.00 0.00 176.35 177.22 3i3b s ARG 292 N -0.00 3.09 -0.06 1.70 0.52 -1.26 -0.33 118.95 122.61 3i3b s ARG 292 Ca 0.08 -0.81 0.05 0.00 -0.52 0.00 0.00 55.73 54.52 3i3b s ARG 292 Cb -0.12 -2.51 -0.01 0.00 0.52 0.00 0.00 34.95 32.82 3i3b s ARG 292 CO 0.00 -0.01 -0.22 -0.51 0.02 0.00 0.00 175.30 174.58 3i3b s LEU 293 N 0.84 2.24 -0.01 2.53 1.43 0.11 -4.94 118.68 120.87 3i3b s LEU 293 Ca -0.06 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.40 3i3b s LEU 293 Cb -0.15 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 3i3b s LEU 293 CO -0.02 0.25 0.56 0.20 0.23 0.00 0.00 176.35 177.58 3i3b s ASN 294 N -0.21 6.93 -0.10 2.29 0.01 -1.26 0.27 114.94 122.86 3i3b s ASN 294 Ca -0.02 1.10 -0.01 0.00 -0.71 0.00 0.00 52.86 53.23 3i3b s ASN 294 Cb -0.13 -2.34 0.03 0.00 0.41 0.00 0.00 41.25 39.21 3i3b s ASN 294 CO 0.03 0.13 -0.03 -0.69 -1.51 0.00 0.00 177.10 175.03 3i3b s VAL 295 N -0.25 0.67 -0.03 1.60 1.01 0.65 -4.88 120.40 119.17 3i3b s VAL 295 Ca 0.29 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 3i3b s VAL 295 Cb -0.18 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 3i3b s VAL 295 CO 0.16 0.26 0.38 -1.61 0.00 0.00 0.00 175.10 174.29 3i3b s GLU 296 N 1.85 3.94 -1.33 2.72 0.41 -1.26 -0.24 118.70 124.78 3i3b s GLU 296 Ca 0.04 0.35 -0.06 0.00 -0.41 0.00 0.00 54.97 54.89 3i3b s GLU 296 Cb -0.13 -3.25 -0.00 0.00 -1.78 0.00 0.00 34.13 28.97 3i3b s GLU 296 CO -0.07 0.62 0.53 0.09 -0.49 0.00 0.00 175.26 175.95 3i3b n ASN 297 N 2.11 -1.65 -4.76 -0.19 5.03 0.11 -4.89 115.26 111.01 3i3b n ASN 297 Ca -0.14 -1.00 -0.38 0.00 0.87 0.00 0.00 54.58 53.93 3i3b n ASN 297 Cb 0.52 -3.17 0.02 0.00 -1.02 0.00 0.00 39.78 36.14 3i3b n ASN 297 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3i3b s PRO 298 N -6.40 3.43 -0.23 3.52 0.04 -1.26 -4.94 135.00 129.16 3i3b s PRO 298 Ca 0.13 2.10 -0.29 0.00 0.04 0.00 0.00 61.00 62.98 3i3b s PRO 298 Cb -0.05 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 32.13 3i3b s PRO 298 CO 0.88 -0.92 1.05 0.15 0.04 0.00 0.00 177.00 178.20 3i3b s LYS 299 N -2.76 4.26 0.32 4.56 1.02 -1.26 -5.00 119.74 120.88 3i3b s LYS 299 Ca 0.67 1.37 -0.23 0.00 0.02 0.00 0.00 55.97 57.81 3i3b s LYS 299 Cb -0.37 -3.64 -0.10 0.00 -0.52 0.00 0.00 37.83 33.20 3i3b s LYS 299 CO 0.44 -0.63 0.88 -0.51 -0.92 0.00 0.00 175.35 174.61 3i3b s LEU 300 N 3.21 4.26 0.09 3.17 1.43 -1.26 -4.47 118.68 125.09 3i3b s LEU 300 Ca 0.44 1.67 -0.15 0.00 -1.03 0.00 0.00 54.13 55.07 3i3b s LEU 300 Cb -0.15 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.00 3i3b s LEU 300 CO 0.06 -0.10 0.50 0.86 0.23 0.00 0.00 176.35 177.90 3i3b s TRP 301 N -1.71 3.67 0.20 0.29 -0.00 0.51 -3.93 118.94 117.97 3i3b s TRP 301 Ca 0.51 1.05 -0.23 0.00 -0.00 0.00 0.00 56.10 57.42 3i3b s TRP 301 Cb -0.16 -2.35 0.05 0.00 -0.00 0.00 0.00 33.47 31.01 3i3b s TRP 301 CO 0.21 0.53 0.87 -1.54 -0.00 0.00 0.00 176.95 177.01 3i3b s SER 302 N -1.45 -0.21 0.32 5.86 1.04 -0.98 -4.65 113.70 113.64 3i3b s SER 302 Ca 0.32 -0.48 0.12 0.00 0.48 0.00 0.00 55.95 56.38 3i3b s SER 302 Cb -0.16 0.58 0.55 0.00 0.10 0.00 0.00 66.02 67.09 3i3b s SER 302 CO 0.18 -1.08 1.73 0.00 0.98 0.00 0.00 173.24 175.05 3i3b h ALA 303 N 2.00 1.19 0.05 5.32 0.00 -1.91 -2.08 119.26 123.83 3i3b h ALA 303 Ca -0.22 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 3i3b h ALA 303 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3i3b h ALA 303 CO 0.24 0.61 -0.02 0.93 0.00 0.00 0.00 179.25 181.01 3i3b h GLU 304 N 0.00 -0.06 -3.00 0.00 5.08 -1.94 -3.40 114.58 111.27 3i3b h GLU 304 Ca -0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3i3b h GLU 304 Cb 0.86 0.01 -0.40 0.00 0.50 0.00 0.00 28.75 29.73 3i3b h GLU 304 CO 0.06 0.22 -0.78 0.42 -1.00 0.00 0.00 179.01 177.93 3i3b s ILE 305 N -5.09 0.60 -1.05 3.13 1.01 -1.17 -5.01 121.20 113.61 3i3b s ILE 305 Ca -0.15 -1.61 -0.09 0.00 0.00 0.00 0.00 60.65 58.80 3i3b s ILE 305 Cb 0.03 -1.44 -0.07 0.00 0.01 0.00 0.00 42.46 40.99 3i3b s ILE 305 CO 0.65 -0.82 2.24 -0.81 0.00 0.00 0.00 174.94 176.20 3i3b n PRO 306 N 4.41 2.33 -1.79 2.79 -0.04 -0.79 -2.31 135.00 139.59 3i3b n PRO 306 Ca 0.03 -1.69 -0.42 0.00 -0.04 0.00 0.00 63.50 61.39 3i3b n PRO 306 Cb 0.39 -2.61 -0.02 0.00 -0.04 0.00 0.00 33.50 31.22 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 3.39 6.42 0.03 3.54 0.01 -1.25 -4.87 114.94 122.20 3i3b s ASN 307 Ca 0.47 2.85 0.03 0.00 -0.71 0.00 0.00 52.86 55.50 3i3b s ASN 307 Cb 0.12 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 39.15 3i3b s ASN 307 CO -0.02 -0.91 -0.09 -0.76 -1.51 0.00 0.00 177.10 173.80 3i3b s LEU 308 N 0.47 2.16 0.34 0.60 1.43 -1.26 -4.17 118.68 118.24 3i3b s LEU 308 Ca 0.69 -0.39 0.09 0.00 -1.03 0.00 0.00 54.13 53.49 3i3b s LEU 308 Cb -0.48 -0.34 -0.06 0.00 0.03 0.00 0.00 46.19 45.34 3i3b s LEU 308 CO 0.38 -0.05 -0.06 -0.31 0.23 0.00 0.00 176.35 176.54 3i3b s TYR 309 N -0.86 2.45 -0.12 0.29 1.51 -0.12 -4.66 117.35 115.84 3i3b s TYR 309 Ca -0.03 -0.47 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 3i3b s TYR 309 Cb -0.07 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.38 3i3b s TYR 309 CO 0.01 0.55 -0.22 0.50 -1.11 0.00 0.00 175.55 175.28 3i3b s ARG 310 N -3.64 2.99 -0.15 -0.62 6.06 0.58 0.17 118.95 124.34 3i3b s ARG 310 Ca 0.33 -0.85 -0.04 0.00 -2.50 0.00 0.00 55.73 52.67 3i3b s ARG 310 Cb 0.01 -2.36 -0.03 0.00 0.06 0.00 0.00 34.95 32.63 3i3b s ARG 310 CO 0.17 0.05 -0.01 0.00 -2.50 0.00 0.00 175.30 173.02 3i3b s ALA 311 N 0.65 3.15 -0.11 6.12 0.00 -0.58 0.19 121.76 131.19 3i3b s ALA 311 Ca -0.11 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.08 3i3b s ALA 311 Cb -0.16 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.31 3i3b s ALA 311 CO 0.02 0.27 -0.19 0.08 0.00 0.00 0.00 175.76 175.94 3i3b s VAL 312 N 0.17 2.55 -0.32 0.00 1.01 -0.63 -1.96 120.40 121.22 3i3b s VAL 312 Ca 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 3i3b s VAL 312 Cb -0.13 -2.02 0.06 0.00 0.00 0.00 0.00 36.38 34.29 3i3b s VAL 312 CO 0.02 0.55 0.03 -0.69 0.00 0.00 0.00 175.10 175.01 3i3b s VAL 313 N 0.23 3.02 -0.15 2.92 1.01 0.15 -2.02 120.40 125.56 3i3b s VAL 313 Ca -0.12 -1.50 -0.06 0.00 0.00 0.00 0.00 61.98 60.30 3i3b s VAL 313 Cb -0.16 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 3i3b s VAL 313 CO 0.07 -0.20 0.05 -1.61 0.00 0.00 0.00 175.10 173.40 3i3b s GLU 314 N 1.23 3.69 -0.20 2.72 2.02 -0.17 -1.32 118.70 126.66 3i3b s GLU 314 Ca -0.03 -0.35 -0.08 0.00 0.02 0.00 0.00 54.97 54.53 3i3b s GLU 314 Cb -0.20 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 3i3b s GLU 314 CO -0.02 0.41 0.08 -1.17 0.02 0.00 0.00 175.26 174.58 3i3b s LEU 315 N -0.04 3.76 0.33 1.80 2.96 -0.31 -1.17 118.68 126.02 3i3b s LEU 315 Ca 0.06 0.02 -0.14 0.00 -0.22 0.00 0.00 54.13 53.84 3i3b s LEU 315 Cb -0.12 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.62 3i3b s LEU 315 CO 0.01 0.11 0.67 -1.38 -1.32 0.00 0.00 176.35 174.44 3i3b s HIS 316 N 0.73 0.25 0.32 5.38 -3.43 -0.01 -0.64 115.29 117.89 3i3b s HIS 316 Ca 0.04 -0.75 0.02 0.00 -0.80 0.00 0.00 55.06 53.57 3i3b s HIS 316 Cb -0.13 0.54 -0.03 0.00 -1.43 0.00 0.00 32.58 31.53 3i3b s HIS 316 CO 0.02 -1.33 0.49 0.95 -2.00 0.00 0.00 174.74 172.88 3i3b s THR 317 N -3.10 5.08 0.47 -5.38 -4.23 -0.53 0.99 115.64 108.94 3i3b s THR 317 Ca 0.18 -0.64 0.16 0.00 -1.18 0.00 0.00 61.69 60.20 3i3b s THR 317 Cb -0.04 -3.83 0.32 0.00 1.34 0.00 0.00 72.50 70.29 3i3b s THR 317 CO 0.12 -0.47 2.03 0.00 -0.54 0.00 0.00 174.62 175.76 3i3b h ALA 318 N 0.87 2.07 0.00 3.99 0.00 -0.36 -1.26 119.26 124.57 3i3b h ALA 318 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3i3b h ALA 318 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3i3b h ALA 318 CO 0.61 -0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 3i3b n ASP 319 N -4.47 0.10 0.00 0.00 5.68 -1.26 -4.84 116.55 111.75 3i3b n ASP 319 Ca 0.06 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 3i3b n ASP 319 Cb 0.31 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 3i3b n ASP 319 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i3b n GLY 320 N 0.33 0.58 3.54 6.12 0.00 -0.48 -5.04 105.19 110.24 3i3b n GLY 320 Ca 0.00 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 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 5.09 0.24 2.61 2.01 -1.24 -4.90 115.64 117.45 3i3b s THR 321 Ca 0.00 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 3i3b s THR 321 Cb 0.00 -3.91 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 3i3b s THR 321 CO 0.00 -0.19 1.37 -0.22 -0.69 0.00 0.00 174.62 174.88 3i3b s LEU 322 N 2.20 4.41 -0.25 4.42 2.96 -1.26 -1.46 118.68 129.70 3i3b s LEU 322 Ca 0.15 2.55 -0.09 0.00 -0.22 0.00 0.00 54.13 56.52 3i3b s LEU 322 Cb -0.16 -3.62 -0.12 0.00 0.50 0.00 0.00 46.19 42.79 3i3b s LEU 322 CO 0.13 -0.60 -0.30 -0.38 -1.32 0.00 0.00 176.35 173.88 3i3b n ILE 323 N 2.28 1.39 -3.57 6.68 5.41 0.19 -4.95 119.36 126.79 3i3b n ILE 323 Ca 0.06 -0.40 -0.06 0.00 1.00 0.00 0.00 62.75 63.35 3i3b n ILE 323 Cb 0.41 -1.71 -0.02 0.00 -0.71 0.00 0.00 39.64 37.61 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 -2.47 0.75 -0.01 0.38 -1.05 -1.14 -4.88 118.70 110.29 3i3b s GLU 324 Ca -0.35 -0.32 -0.01 0.00 -0.15 0.00 0.00 54.97 54.14 3i3b s GLU 324 Cb 0.12 0.32 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 3i3b s GLU 324 CO 0.48 -0.33 0.02 0.00 0.95 0.00 0.00 175.26 176.37 3i3b s ALA 325 N -2.96 -0.05 0.37 -0.84 0.00 0.72 -1.16 121.76 117.83 3i3b s ALA 325 Ca 0.08 0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.15 3i3b s ALA 325 Cb -0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 23.12 23.01 3i3b s ALA 325 CO -0.06 -0.01 0.03 -1.21 0.00 0.00 0.00 175.76 174.51 3i3b s GLU 326 N -0.00 1.80 0.11 0.00 0.41 -0.44 -1.72 118.70 118.86 3i3b s GLU 326 Ca -0.00 -2.01 -0.26 0.00 -0.41 0.00 0.00 54.97 52.29 3i3b s GLU 326 Cb -0.00 -1.25 0.08 0.00 -1.78 0.00 0.00 34.13 31.18 3i3b s GLU 326 CO 0.00 -0.12 1.00 0.00 -0.49 0.00 0.00 175.26 175.65 3i3b s ALA 327 N -3.01 -1.76 0.19 5.21 0.00 -1.26 -0.68 121.76 120.45 3i3b s ALA 327 Ca 0.36 0.32 -0.23 0.00 0.00 0.00 0.00 51.96 52.41 3i3b s ALA 327 Cb 0.09 0.57 0.06 0.00 0.00 0.00 0.00 23.12 23.83 3i3b s ALA 327 CO 0.17 -1.00 0.68 0.00 0.00 0.00 0.00 175.76 175.60 3i3b s ASP 329 N -2.79 7.41 -0.12 0.00 1.01 -1.26 -1.52 116.67 119.40 3i3b s ASP 329 Ca 0.05 1.71 0.03 0.00 0.71 0.00 0.00 52.55 55.05 3i3b s ASP 329 Cb -0.03 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.38 3i3b s ASP 329 CO -0.06 0.16 -0.23 -0.69 0.21 0.00 0.00 175.17 174.57 3i3b s VAL 330 N -1.23 2.10 -0.23 -1.27 1.01 0.13 -4.71 120.40 116.20 3i3b s VAL 330 Ca 0.39 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 3i3b s VAL 330 Cb -0.23 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.35 3i3b s VAL 330 CO 0.27 0.55 -0.07 -0.83 0.00 0.00 0.00 175.10 175.02 3i3b s GLY 331 N 0.50 1.59 -0.61 4.51 0.00 -1.26 -0.95 107.32 111.11 3i3b s GLY 331 Ca -0.15 -1.36 -0.28 0.00 0.00 0.00 0.00 44.72 42.94 3i3b s GLY 331 CO 0.05 0.47 1.33 -1.36 0.00 0.00 0.00 173.10 173.59 3i3b s PHE 332 N 1.36 2.36 -0.03 1.90 0.40 -1.26 -4.82 117.98 117.89 3i3b s PHE 332 Ca 0.02 0.34 -0.28 0.00 -0.60 0.00 0.00 56.93 56.42 3i3b s PHE 332 Cb -0.16 -4.48 0.06 0.00 0.51 0.00 0.00 43.02 38.96 3i3b s PHE 332 CO -0.05 -1.89 0.61 -0.98 0.70 0.00 0.00 175.22 173.61 3i3b s ARG 333 N 5.45 1.02 -0.04 0.44 3.03 -1.26 -0.36 118.95 127.22 3i3b s ARG 333 Ca 0.46 0.13 0.05 0.00 2.03 0.00 0.00 55.73 58.40 3i3b s ARG 333 Cb -0.09 0.47 -0.02 0.00 -1.03 0.00 0.00 34.95 34.28 3i3b s ARG 333 CO 0.23 -0.32 -0.20 -2.00 -1.13 0.00 0.00 175.30 171.87 3i3b s GLU 334 N -1.42 2.40 -0.11 3.89 2.12 -1.26 -4.89 118.70 119.42 3i3b s GLU 334 Ca -0.10 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.43 3i3b s GLU 334 Cb -0.01 -2.23 0.02 0.00 0.26 0.00 0.00 34.13 32.17 3i3b s GLU 334 CO 0.07 0.55 -0.15 0.08 -0.54 0.00 0.00 175.26 175.28 3i3b s VAL 335 N -0.56 1.48 -0.01 3.70 1.01 -1.26 -0.89 120.40 123.86 3i3b s VAL 335 Ca 0.08 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.16 3i3b s VAL 335 Cb -0.11 -1.36 0.06 0.00 0.00 0.00 0.00 36.38 34.97 3i3b s VAL 335 CO 0.01 0.44 0.63 0.00 0.00 0.00 0.00 175.10 176.17 3i3b s ARG 336 N 1.06 1.06 -0.24 2.72 1.70 -0.77 -4.63 118.95 119.86 3i3b s ARG 336 Ca -0.05 0.09 -0.09 0.00 -0.47 0.00 0.00 55.73 55.21 3i3b s ARG 336 Cb -0.15 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 3i3b s ARG 336 CO -0.03 -0.35 0.11 0.42 -1.08 0.00 0.00 175.30 174.37 3i3b s ILE 337 N -1.63 4.85 -0.03 4.99 1.01 -1.26 -0.14 121.20 128.98 3i3b s ILE 337 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.57 3i3b s ILE 337 Cb -0.01 -3.25 0.02 0.00 0.01 0.00 0.00 42.46 39.24 3i3b s ILE 337 CO 0.06 0.35 -0.02 -0.70 0.00 0.00 0.00 174.94 174.63 3i3b s GLU 338 N 1.20 0.49 -1.64 2.79 2.12 -0.44 -4.83 118.70 118.40 3i3b s GLU 338 Ca 0.06 -0.00 -0.17 0.00 0.36 0.00 0.00 54.97 55.22 3i3b s GLU 338 Cb -0.14 -0.60 0.13 0.00 0.26 0.00 0.00 34.13 33.78 3i3b s GLU 338 CO 0.05 -0.10 0.86 -1.71 -0.54 0.00 0.00 175.26 173.81 3i3b n ASN 339 N 4.03 -3.84 0.00 -1.70 5.15 -1.26 -1.44 115.26 116.20 3i3b n ASN 339 Ca -0.26 -0.92 0.00 0.00 -0.60 0.00 0.00 54.58 52.80 3i3b n ASN 339 Cb 0.51 -3.19 0.00 0.00 -0.53 0.00 0.00 39.78 36.57 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 -1.52 0.82 3.25 8.20 0.00 -1.26 -5.05 105.19 109.63 3i3b n GLY 340 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 2.06 -0.33 0.99 1.43 -0.52 -2.78 118.68 119.53 3i3b s LEU 341 Ca 0.00 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 3i3b s LEU 341 Cb 0.00 -1.35 0.02 0.00 0.03 0.00 0.00 46.19 44.89 3i3b s LEU 341 CO 0.00 0.23 1.12 -0.22 0.23 0.00 0.00 176.35 177.71 3i3b s LEU 342 N -0.07 3.89 0.02 1.79 2.96 -1.26 -1.32 118.68 124.68 3i3b s LEU 342 Ca -0.06 1.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.91 3i3b s LEU 342 Cb -0.14 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 3i3b s LEU 342 CO 0.04 -0.96 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.24 3i3b s LEU 343 N 3.86 2.90 -0.14 -0.68 1.43 0.80 -1.81 118.68 125.04 3i3b s LEU 343 Ca 0.48 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 3i3b s LEU 343 Cb -0.12 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.43 3i3b s LEU 343 CO 0.19 0.28 -0.20 -0.22 0.23 0.00 0.00 176.35 176.62 3i3b s LEU 344 N -1.38 2.01 -1.56 1.79 2.96 0.13 -1.85 118.68 120.78 3i3b s LEU 344 Ca 0.16 -0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 3i3b s LEU 344 Cb -0.11 -1.36 0.08 0.00 0.50 0.00 0.00 46.19 45.30 3i3b s LEU 344 CO 0.06 0.04 0.58 0.59 -1.32 0.00 0.00 176.35 176.31 3i3b n ASN 345 N 4.24 -1.76 0.00 3.68 3.02 -0.07 -0.54 115.26 123.83 3i3b n ASN 345 Ca -0.20 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 3i3b n ASN 345 Cb 0.51 -2.87 0.00 0.00 -0.61 0.00 0.00 39.78 36.81 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 -1.74 0.62 3.52 7.41 0.00 -1.26 -5.01 105.19 108.73 3i3b n GLY 346 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.38 2.59 -0.17 1.61 -0.14 0.30 -5.00 119.74 118.56 3i3b s LYS 347 Ca 0.00 -0.64 -0.29 0.00 -1.36 0.00 0.00 55.97 53.68 3i3b s LYS 347 Cb 0.00 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 33.65 3i3b s LYS 347 CO 0.00 0.64 1.53 -1.25 -0.76 0.00 0.00 175.35 175.51 3i3b s PRO 348 N -0.81 4.00 0.65 -1.68 0.04 -1.26 0.18 135.00 136.12 3i3b s PRO 348 Ca 0.12 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.80 3i3b s PRO 348 Cb -0.11 -3.96 -0.01 0.00 0.04 0.00 0.00 34.50 30.47 3i3b s PRO 348 CO 0.01 -1.04 1.08 -0.51 0.04 0.00 0.00 177.00 176.58 3i3b s LEU 349 N 4.47 3.35 -0.29 -3.56 1.43 -0.75 -4.95 118.68 118.39 3i3b s LEU 349 Ca 0.68 1.85 -0.01 0.00 -1.03 0.00 0.00 54.13 55.61 3i3b s LEU 349 Cb -0.26 -4.53 0.09 0.00 0.03 0.00 0.00 46.19 41.52 3i3b s LEU 349 CO 0.26 -1.46 0.09 -0.22 0.23 0.00 0.00 176.35 175.25 3i3b s LEU 350 N -4.94 2.08 -0.36 1.79 2.96 -1.26 -4.77 118.68 114.18 3i3b s LEU 350 Ca 0.64 -1.52 -0.29 0.00 -0.22 0.00 0.00 54.13 52.74 3i3b s LEU 350 Cb -0.17 -0.83 0.01 0.00 0.50 0.00 0.00 46.19 45.69 3i3b s LEU 350 CO 0.43 -0.40 1.38 -0.63 -1.32 0.00 0.00 176.35 175.81 3i3b s ILE 351 N 1.65 3.99 -0.99 6.68 -1.09 0.54 -4.93 121.20 127.05 3i3b s ILE 351 Ca 0.08 1.06 -0.04 0.00 -2.23 0.00 0.00 60.65 59.52 3i3b s ILE 351 Cb -0.17 -4.17 0.26 0.00 -1.58 0.00 0.00 42.46 36.80 3i3b s ILE 351 CO -0.23 -0.63 1.04 0.54 -1.23 0.00 0.00 174.94 174.42 3i3b n ARG 352 N 7.76 3.31 -4.10 2.79 1.74 -1.26 -2.09 116.66 124.82 3i3b n ARG 352 Ca 0.16 -4.51 -0.28 0.00 -0.77 0.00 0.00 57.85 52.46 3i3b n ARG 352 Cb 0.47 -2.46 -0.03 0.00 -1.02 0.00 0.00 32.46 29.42 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 -0.21 2.51 -0.14 -0.13 0.00 -0.46 -0.68 107.32 108.22 3i3b s GLY 353 Ca 0.30 -1.13 -0.19 0.00 0.00 0.00 0.00 44.72 43.71 3i3b s GLY 353 CO -0.06 -1.99 0.50 0.54 0.00 0.00 0.00 173.10 172.09 3i3b s VAL 354 N -2.78 0.01 0.35 1.40 0.11 -0.87 -1.49 120.40 117.13 3i3b s VAL 354 Ca 0.28 -0.08 -0.25 0.00 -2.93 0.00 0.00 61.98 59.00 3i3b s VAL 354 Cb -0.01 -0.73 -0.10 0.00 -1.53 0.00 0.00 36.38 34.01 3i3b s VAL 354 CO 0.17 -0.04 0.96 0.20 -3.33 0.00 0.00 175.10 173.06 3i3b s ASN 355 N -0.18 7.20 -0.14 3.54 0.01 -0.21 -2.00 114.94 123.16 3i3b s ASN 355 Ca -0.04 1.86 -0.04 0.00 -0.71 0.00 0.00 52.86 53.93 3i3b s ASN 355 Cb -0.03 -2.58 0.07 0.00 0.41 0.00 0.00 41.25 39.12 3i3b s ASN 355 CO 0.02 -0.17 0.23 -0.60 -1.51 0.00 0.00 177.10 175.07 3i3b s ARG 356 N -2.24 0.14 0.54 -0.60 3.52 -0.96 -1.49 118.95 117.85 3i3b s ARG 356 Ca 0.53 0.53 -0.09 0.00 -0.13 0.00 0.00 55.73 56.57 3i3b s ARG 356 Cb -0.18 -0.46 -0.04 0.00 -1.56 0.00 0.00 34.95 32.70 3i3b s ARG 356 CO 0.23 -0.41 0.90 -1.01 -0.81 0.00 0.00 175.30 174.20 3i3b s HIS 357 N 2.36 3.58 -0.79 5.12 3.76 -1.26 -4.03 115.29 124.03 3i3b s HIS 357 Ca 0.04 1.07 -0.18 0.00 -0.15 0.00 0.00 55.06 55.84 3i3b s HIS 357 Cb -0.13 -2.52 0.13 0.00 1.11 0.00 0.00 32.58 31.17 3i3b s HIS 357 CO -0.09 -0.45 0.93 -1.21 -0.85 0.00 0.00 174.74 173.06 3i3b s GLU 358 N -4.84 3.40 -0.01 1.40 2.02 -1.26 -4.95 118.70 114.46 3i3b s GLU 358 Ca 0.52 -1.68 0.02 0.00 0.02 0.00 0.00 54.97 53.84 3i3b s GLU 358 Cb -0.11 -4.58 0.00 0.00 0.10 0.00 0.00 34.13 29.55 3i3b s GLU 358 CO 0.47 -1.62 -0.05 -1.58 0.02 0.00 0.00 175.26 172.50 3i3b s HIS 359 N 2.35 0.53 -0.03 1.61 2.46 -1.26 -4.43 115.29 116.51 3i3b s HIS 359 Ca 0.23 -0.10 0.01 0.00 0.47 0.00 0.00 55.06 55.67 3i3b s HIS 359 Cb -0.12 -0.39 0.02 0.00 -0.13 0.00 0.00 32.58 31.96 3i3b s HIS 359 CO -0.03 -0.05 -0.04 -1.58 -2.47 0.00 0.00 174.74 170.57 3i3b s HIS 360 N 0.12 0.60 0.62 3.88 5.04 0.13 -5.01 115.29 120.67 3i3b s HIS 360 Ca -0.01 -0.13 0.40 0.00 -1.54 0.00 0.00 55.06 53.78 3i3b s HIS 360 Cb -0.05 -0.53 2.21 0.00 0.04 0.00 0.00 32.58 34.26 3i3b s HIS 360 CO -0.00 -0.13 2.32 -1.00 -2.34 0.00 0.00 174.74 173.59 3i3b h PRO 361 N 6.90 0.00 0.00 2.88 0.13 -1.79 0.08 132.00 140.20 3i3b h PRO 361 Ca -0.37 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.51 3i3b h PRO 361 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 3i3b h PRO 361 CO 0.48 0.00 -1.89 1.28 -0.23 0.00 0.00 178.00 177.65 3i3b n LEU 362 N -3.30 2.42 -0.67 1.56 4.77 -1.26 -1.52 117.00 119.00 3i3b n LEU 362 Ca -0.03 0.01 0.12 0.00 -0.03 0.00 0.00 56.01 56.08 3i3b n LEU 362 Cb 0.09 -0.52 0.36 0.00 -2.33 0.00 0.00 43.42 41.02 3i3b n LEU 362 CO 0.23 0.63 0.78 1.41 -1.33 0.00 0.00 177.39 179.10 3i3b n HIS 363 N -3.19 0.13 0.00 -1.77 8.25 -1.23 -4.94 115.22 112.47 3i3b n HIS 363 Ca -0.29 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 3i3b n HIS 363 Cb 0.77 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.88 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 1.23 1.71 1.15 -1.41 0.00 0.01 -3.02 105.19 104.87 3i3b n GLY 364 Ca 0.17 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 1.48 3.37 -3.05 1.61 6.02 -1.26 0.22 117.38 125.78 3i3b n GLN 365 Ca 0.00 -2.71 -0.40 0.00 -0.01 0.00 0.00 57.00 53.88 3i3b n GLN 365 Cb 0.00 -1.78 -0.05 0.00 1.02 0.00 0.00 30.24 29.44 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 -2.12 5.03 -0.08 5.09 1.01 -1.17 -4.87 120.40 123.29 3i3b s VAL 366 Ca 0.42 1.41 -0.02 0.00 0.00 0.00 0.00 61.98 63.78 3i3b s VAL 366 Cb 0.30 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3i3b s VAL 366 CO 0.16 0.21 0.03 -0.04 0.00 0.00 0.00 175.10 175.45 3i3b s MET 367 N 1.12 3.05 0.14 2.72 -1.94 -1.26 -4.70 119.30 118.43 3i3b s MET 367 Ca 0.36 -0.38 0.08 0.00 -1.71 0.00 0.00 55.69 54.04 3i3b s MET 367 Cb -0.17 -2.85 -0.04 0.00 2.01 0.00 0.00 34.83 33.78 3i3b s MET 367 CO 0.16 0.71 -0.19 0.16 -0.01 0.00 0.00 175.02 175.85 3i3b s ASP 368 N -1.02 2.58 0.20 3.03 -4.77 -1.26 -5.04 116.67 110.38 3i3b s ASP 368 Ca 0.15 -0.81 -0.12 0.00 -3.30 0.00 0.00 52.55 48.48 3i3b s ASP 368 Cb -0.11 -0.14 0.23 0.00 -1.09 0.00 0.00 42.92 41.80 3i3b s ASP 368 CO 0.04 -0.02 1.71 -0.08 0.70 0.00 0.00 175.17 177.53 3i3b h GLU 369 N 3.51 0.25 -0.51 2.11 4.81 -1.99 -2.20 114.58 120.57 3i3b h GLU 369 Ca -0.43 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 58.87 3i3b h GLU 369 Cb 1.20 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.45 3i3b h GLU 369 CO 0.48 0.16 0.11 1.96 -0.73 0.00 0.00 179.01 180.99 3i3b h GLN 370 N 0.26 0.25 -0.59 1.92 4.20 -1.99 0.11 115.11 119.27 3i3b h GLN 370 Ca 0.27 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.88 3i3b h GLN 370 Cb 0.38 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3i3b h GLN 370 CO -0.35 0.16 -0.00 1.15 -0.67 0.00 0.00 178.83 179.12 3i3b h THR 371 N 0.25 1.26 -0.31 -0.54 2.02 -1.89 -0.25 112.91 113.46 3i3b h THR 371 Ca 0.25 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 3i3b h THR 371 Cb 0.33 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3i3b h THR 371 CO -0.32 0.41 0.12 0.24 0.37 0.00 0.00 175.52 176.34 3i3b h MET 372 N 0.94 0.46 -0.72 6.66 2.86 -0.74 -0.59 114.93 123.81 3i3b h MET 372 Ca 0.17 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 3i3b h MET 372 Cb 0.55 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 3i3b h MET 372 CO 0.03 0.47 0.18 0.28 1.06 0.00 0.00 176.91 178.93 3i3b h VAL 373 N 0.35 1.26 -0.60 -2.22 2.07 -0.68 -1.00 116.25 115.43 3i3b h VAL 373 Ca 0.10 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 3i3b h VAL 373 Cb 0.18 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3i3b h VAL 373 CO -0.01 0.38 0.37 -0.61 0.02 0.00 0.00 177.57 177.71 3i3b h GLN 374 N 1.09 0.82 -0.04 1.57 4.15 -0.75 -1.14 115.11 120.80 3i3b h GLN 374 Ca 0.23 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 3i3b h GLN 374 Cb 0.37 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 3i3b h GLN 374 CO 0.00 0.58 0.01 -0.44 -1.93 0.00 0.00 178.83 177.05 3i3b h ASP 375 N 0.81 0.06 -0.50 -0.69 3.32 -0.72 -2.44 116.42 116.27 3i3b h ASP 375 Ca 0.22 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 57.08 3i3b h ASP 375 Cb -0.03 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 3i3b h ASP 375 CO -0.04 0.27 0.26 0.40 -1.72 0.00 0.00 179.24 178.41 3i3b h ILE 376 N -0.15 0.97 -0.33 0.35 2.04 -1.00 0.64 117.51 120.04 3i3b h ILE 376 Ca 0.01 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.72 3i3b h ILE 376 Cb 0.23 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3i3b h ILE 376 CO 0.00 0.09 0.17 -0.07 0.00 0.00 0.00 178.15 178.34 3i3b h LEU 377 N 0.51 0.25 -1.22 1.44 3.38 -1.20 -0.81 115.31 117.66 3i3b h LEU 377 Ca 0.21 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3i3b h LEU 377 Cb 0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3i3b h LEU 377 CO -0.14 0.19 0.06 -0.07 0.09 0.00 0.00 178.44 178.56 3i3b h LEU 378 N 0.35 0.55 0.25 1.67 3.38 -0.97 -0.77 115.31 119.77 3i3b h LEU 378 Ca 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3i3b h LEU 378 Cb 0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3i3b h LEU 378 CO -0.09 0.58 -0.12 0.24 0.09 0.00 0.00 178.44 179.14 3i3b h MET 379 N 0.58 -0.33 -0.28 1.13 2.86 -0.31 -2.65 114.93 115.92 3i3b h MET 379 Ca 0.13 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 3i3b h MET 379 Cb 0.28 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3i3b h MET 379 CO 0.00 -0.01 -0.02 0.87 1.06 0.00 0.00 176.91 178.81 3i3b h LYS 380 N -0.68 0.44 0.00 1.72 1.57 -1.07 -1.18 116.57 117.36 3i3b h LYS 380 Ca -0.03 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3i3b h LYS 380 Cb 0.47 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3i3b h LYS 380 CO 0.06 0.49 0.00 1.96 -0.57 0.00 0.00 179.45 181.38 3i3b h GLN 381 N 0.42 0.00 -0.41 3.15 4.20 -1.14 -2.40 115.11 118.93 3i3b h GLN 381 Ca 0.09 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 3i3b h GLN 381 Cb 0.32 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.01 3i3b h GLN 381 CO 0.01 0.00 0.05 0.09 -0.67 0.00 0.00 178.83 178.31 3i3b n ASN 382 N -2.99 3.30 -2.30 1.46 3.02 -0.53 -4.96 115.26 112.27 3i3b n ASN 382 Ca 0.00 -3.44 -0.18 0.00 -0.03 0.00 0.00 54.58 50.93 3i3b n ASN 382 Cb 0.26 -0.63 0.02 0.00 -0.61 0.00 0.00 39.78 38.81 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 -0.82 -5.17 -4.88 6.41 3.02 -0.90 -3.82 115.26 109.09 3i3b n ASN 383 Ca 0.32 -0.16 -0.36 0.00 -0.03 0.00 0.00 54.58 54.34 3i3b n ASN 383 Cb 1.08 -4.09 -0.06 0.00 -0.61 0.00 0.00 39.78 36.10 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 -2.99 3.60 0.00 3.10 0.40 -0.68 -4.83 117.98 116.58 3i3b s PHE 384 Ca 0.17 0.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.02 3i3b s PHE 384 Cb -0.07 -1.93 0.00 0.00 0.51 0.00 0.00 43.02 41.52 3i3b s PHE 384 CO 0.21 0.72 0.77 0.27 0.70 0.00 0.00 175.22 177.89 3i3b n ASN 385 N 1.80 1.30 -3.67 1.36 0.23 0.14 -4.11 115.26 112.32 3i3b n ASN 385 Ca -0.18 -1.59 -0.14 0.00 -0.53 0.00 0.00 54.58 52.13 3i3b n ASN 385 Cb 0.55 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.18 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 -0.59 -1.08 -0.00 -2.53 0.00 -1.12 -0.46 121.76 115.97 3i3b s ALA 386 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.47 3i3b s ALA 386 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.31 3i3b s ALA 386 CO 0.00 -0.37 -0.01 0.54 0.00 0.00 0.00 175.76 175.92 3i3b s VAL 387 N -1.84 0.09 -0.18 0.00 0.11 0.12 -2.05 120.40 116.65 3i3b s VAL 387 Ca -0.09 -0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 58.86 3i3b s VAL 387 Cb -0.02 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.71 3i3b s VAL 387 CO 0.02 0.03 0.01 -0.60 -3.33 0.00 0.00 175.10 171.23 3i3b s ARG 388 N 0.02 3.75 -1.40 1.54 3.52 -0.85 -1.01 118.95 124.53 3i3b s ARG 388 Ca 0.00 -0.46 -0.14 0.00 -0.13 0.00 0.00 55.73 54.99 3i3b s ARG 388 Cb -0.01 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.31 3i3b s ARG 388 CO -0.00 0.17 2.28 0.00 -0.81 0.00 0.00 175.30 176.94 3i3b s SER 390 N 3.28 6.26 -0.38 0.00 1.04 -1.26 -0.67 113.70 121.97 3i3b s SER 390 Ca 0.51 1.51 0.11 0.00 0.48 0.00 0.00 55.95 58.55 3i3b s SER 390 Cb 0.14 -2.53 0.32 0.00 0.10 0.00 0.00 66.02 64.05 3i3b s SER 390 CO -0.06 -1.37 0.67 1.41 0.98 0.00 0.00 173.24 174.87 3i3b n HIS 391 N 8.89 0.17 -3.58 5.02 -0.00 -1.26 -4.29 115.22 120.17 3i3b n HIS 391 Ca 0.20 -3.75 -0.05 0.00 -0.00 0.00 0.00 57.72 54.12 3i3b n HIS 391 Cb 0.46 -0.40 -0.02 0.00 -0.00 0.00 0.00 29.99 30.03 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 -2.09 -0.17 0.34 4.41 -0.85 0.15 -4.19 117.35 114.95 3i3b s TYR 392 Ca 0.39 0.08 -0.29 0.00 -0.52 0.00 0.00 57.07 56.73 3i3b s TYR 392 Cb 0.29 0.53 -0.11 0.00 0.38 0.00 0.00 41.96 43.05 3i3b s TYR 392 CO -0.09 -0.31 1.48 -2.14 -1.52 0.00 0.00 175.55 172.97 3i3b s PRO 393 N -2.61 4.16 0.66 -3.49 0.02 -0.89 -4.56 135.00 128.29 3i3b s PRO 393 Ca 0.09 2.50 -0.02 0.00 0.02 0.00 0.00 61.00 63.59 3i3b s PRO 393 Cb -0.00 -3.01 0.07 0.00 0.02 0.00 0.00 34.50 31.58 3i3b s PRO 393 CO -0.05 -0.50 0.93 -0.80 -0.33 0.00 0.00 177.00 176.25 3i3b s ASN 394 N -0.00 4.80 0.25 2.53 -0.87 -1.26 -4.82 114.94 115.56 3i3b s ASN 394 Ca 0.55 0.04 -0.31 0.00 -1.57 0.00 0.00 52.86 51.57 3i3b s ASN 394 Cb -0.45 -0.68 -0.14 0.00 -0.02 0.00 0.00 41.25 39.96 3i3b s ASN 394 CO 0.56 -1.54 1.27 1.57 -2.57 0.00 0.00 177.10 176.39 3i3b n HIS 395 N -2.70 1.83 0.15 2.20 -0.00 -1.26 -4.83 115.22 110.61 3i3b n HIS 395 Ca 0.10 0.55 0.19 0.00 -0.00 0.00 0.00 57.72 58.56 3i3b n HIS 395 Cb 0.60 -2.38 0.76 0.00 -0.00 0.00 0.00 29.99 28.97 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 3.40 0.00 0.00 1.57 0.13 -1.96 -1.51 132.00 133.63 3i3b h PRO 396 Ca -0.44 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 3i3b h PRO 396 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 3i3b h PRO 396 CO 0.70 0.00 -0.38 1.25 -0.23 0.00 0.00 178.00 179.34 3i3b h LEU 397 N 0.00 0.00 -0.56 1.56 5.85 -2.01 -3.23 115.31 116.91 3i3b h LEU 397 Ca 0.15 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3i3b h LEU 397 Cb 0.98 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 3i3b h LEU 397 CO -0.00 0.38 0.28 -0.25 -0.34 0.00 0.00 178.44 178.51 3i3b h TRP 398 N 0.00 0.51 -0.60 1.25 2.91 -1.62 -1.42 115.95 116.99 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 0.94 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.42 3i3b h TRP 398 CO 0.00 0.23 0.10 1.88 -1.03 0.00 0.00 178.44 179.62 3i3b h TYR 399 N 0.53 1.05 -0.72 2.65 0.05 -1.72 -0.80 116.97 118.01 3i3b h TYR 399 Ca 0.26 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 3i3b h TYR 399 Cb 0.19 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 3i3b h TYR 399 CO -0.11 0.91 0.40 1.15 -1.05 0.00 0.00 178.16 179.47 3i3b h THR 400 N 0.89 1.22 -0.44 -2.88 2.02 -1.53 -0.45 112.91 111.74 3i3b h THR 400 Ca 0.18 -0.53 -0.13 0.00 0.77 0.00 0.00 66.41 66.71 3i3b h THR 400 Cb 0.42 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3i3b h THR 400 CO 0.01 0.24 -0.23 -0.07 0.37 0.00 0.00 175.52 175.84 3i3b h LEU 401 N 0.99 0.96 -1.39 2.58 3.38 -1.01 -2.17 115.31 118.66 3i3b h LEU 401 Ca 0.25 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3i3b h LEU 401 Cb 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3i3b h LEU 401 CO -0.04 1.16 -0.31 0.00 0.09 0.00 0.00 178.44 179.34 3i3b h ASP 403 N 0.00 0.75 0.42 0.00 3.32 -0.83 -0.81 116.42 119.27 3i3b h ASP 403 Ca -0.00 -0.41 -0.30 0.00 0.02 0.00 0.00 57.03 56.33 3i3b h ASP 403 Cb 0.56 -0.21 0.02 0.00 0.22 0.00 0.00 39.33 39.92 3i3b h ASP 403 CO 0.04 0.99 -1.34 0.03 -1.72 0.00 0.00 179.24 177.25 3i3b h ARG 404 N 0.50 0.42 0.00 3.56 3.08 -1.02 -3.34 114.38 117.59 3i3b h ARG 404 Ca 0.08 -0.70 -0.07 0.00 0.07 0.00 0.00 59.98 59.35 3i3b h ARG 404 Cb 0.71 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 3i3b h ARG 404 CO 0.05 1.33 -1.12 1.88 -1.07 0.00 0.00 179.97 181.04 3i3b h TYR 405 N 0.13 0.00 -1.83 3.04 0.05 -0.87 -3.45 116.97 114.03 3i3b h TYR 405 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.59 3i3b h TYR 405 Cb 2.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.78 3i3b h TYR 405 CO 0.10 0.26 0.00 0.41 -1.05 0.00 0.00 178.16 177.88 3i3b n GLY 406 N 1.27 -1.56 3.20 3.88 0.00 -0.37 -4.82 105.19 106.80 3i3b n GLY 406 Ca -0.04 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.09 0.41 0.09 0.99 1.43 -0.87 -4.66 118.68 115.98 3i3b s LEU 407 Ca 0.00 0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 53.50 3i3b s LEU 407 Cb 0.00 1.11 -0.05 0.00 0.03 0.00 0.00 46.19 47.27 3i3b s LEU 407 CO 0.00 -0.15 1.02 -0.31 0.23 0.00 0.00 176.35 177.14 3i3b s TYR 408 N 0.79 3.68 -0.06 0.29 2.02 0.40 -4.73 117.35 119.73 3i3b s TYR 408 Ca -0.05 1.67 0.04 0.00 -0.37 0.00 0.00 57.07 58.37 3i3b s TYR 408 Cb -0.06 -3.16 -0.02 0.00 -0.40 0.00 0.00 41.96 38.32 3i3b s TYR 408 CO -0.06 -0.19 -0.19 0.08 -1.57 0.00 0.00 175.55 173.62 3i3b s VAL 409 N 0.37 2.59 -0.42 0.71 1.01 0.11 0.14 120.40 124.91 3i3b s VAL 409 Ca 0.50 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 3i3b s VAL 409 Cb -0.25 -1.99 0.07 0.00 0.00 0.00 0.00 36.38 34.21 3i3b s VAL 409 CO 0.30 0.57 0.28 -0.69 0.00 0.00 0.00 175.10 175.57 3i3b s VAL 410 N -0.37 4.52 -0.20 2.92 1.01 -0.18 -1.96 120.40 126.13 3i3b s VAL 410 Ca 0.03 -1.24 -0.25 0.00 0.00 0.00 0.00 61.98 60.52 3i3b s VAL 410 Cb -0.12 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 3i3b s VAL 410 CO 0.02 -0.48 0.84 -0.62 0.00 0.00 0.00 175.10 174.86 3i3b s ASP 411 N 2.14 6.91 -0.10 3.32 2.15 -0.70 -1.50 116.67 128.88 3i3b s ASP 411 Ca 0.03 1.13 0.01 0.00 0.43 0.00 0.00 52.55 54.15 3i3b s ASP 411 Cb -0.23 -2.45 -0.02 0.00 -0.30 0.00 0.00 42.92 39.92 3i3b s ASP 411 CO 0.04 -0.46 -0.13 -0.70 -0.17 0.00 0.00 175.17 173.74 3i3b s GLU 412 N 2.50 3.09 0.46 4.34 2.12 -1.26 -0.63 118.70 129.33 3i3b s GLU 412 Ca 0.37 -0.69 -0.24 0.00 0.36 0.00 0.00 54.97 54.78 3i3b s GLU 412 Cb -0.16 -2.55 -0.07 0.00 0.26 0.00 0.00 34.13 31.61 3i3b s GLU 412 CO 0.10 0.35 1.27 0.00 -0.54 0.00 0.00 175.26 176.44 3i3b s ALA 413 N -0.01 3.03 -1.32 6.30 0.00 -0.46 -2.10 121.76 127.20 3i3b s ALA 413 Ca -0.03 1.15 -0.17 0.00 0.00 0.00 0.00 51.96 52.90 3i3b s ALA 413 Cb -0.14 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.55 3i3b s ALA 413 CO 0.04 -0.92 1.91 -1.71 0.00 0.00 0.00 175.76 175.08 3i3b n ASN 414 N -0.42 4.40 -3.49 0.00 5.15 -1.26 -4.09 115.26 115.55 3i3b n ASN 414 Ca 0.07 -2.87 -0.21 0.00 -0.60 0.00 0.00 54.58 50.97 3i3b n ASN 414 Cb 0.46 -1.70 -0.13 0.00 -0.53 0.00 0.00 39.78 37.88 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 4.43 -0.28 -0.06 -1.44 1.01 -1.24 -4.76 121.20 118.87 3i3b s ILE 415 Ca 0.53 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 3i3b s ILE 415 Cb 0.07 -0.80 0.04 0.00 0.01 0.00 0.00 42.46 41.77 3i3b s ILE 415 CO 0.04 -0.38 0.10 -0.70 0.00 0.00 0.00 174.94 174.00 3i3b s GLU 416 N 2.28 -0.01 -0.30 2.79 2.12 0.21 -1.78 118.70 124.01 3i3b s GLU 416 Ca 0.07 0.41 0.10 0.00 0.36 0.00 0.00 54.97 55.92 3i3b s GLU 416 Cb -0.15 -0.34 0.47 0.00 0.26 0.00 0.00 34.13 34.36 3i3b s GLU 416 CO -0.22 -0.27 1.17 0.25 -0.54 0.00 0.00 175.26 175.64 3i3b n THR 417 N 4.98 2.25 -0.34 -1.70 -2.24 -1.16 -0.42 114.28 115.65 3i3b n THR 417 Ca -0.11 -4.00 0.12 0.00 -2.27 0.00 0.00 64.05 57.79 3i3b n THR 417 Cb 0.50 -0.65 0.30 0.00 -2.10 0.00 0.00 70.33 68.38 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 2.30 1.00 0.00 4.78 6.17 -1.63 -2.29 115.15 125.49 3i3b h HIS 418 Ca 0.26 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.38 3i3b h HIS 418 Cb 1.44 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 31.07 3i3b h HIS 418 CO 0.78 0.22 0.00 0.41 0.71 0.00 0.00 177.93 180.04 3i3b n GLY 419 N -1.33 -0.64 3.85 5.26 0.00 -1.21 -4.81 105.19 106.31 3i3b n GLY 419 Ca 0.22 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 3.41 -0.19 1.61 -1.94 -0.86 -4.79 119.30 114.52 3i3b s MET 420 Ca 0.31 0.86 -0.02 0.00 -1.71 0.00 0.00 55.69 55.13 3i3b s MET 420 Cb 0.14 -2.05 0.06 0.00 2.01 0.00 0.00 34.83 34.99 3i3b s MET 420 CO 0.24 -0.72 0.03 0.08 -0.01 0.00 0.00 175.02 174.63 3i3b s VAL 421 N -3.04 0.60 1.14 -6.03 1.01 -1.26 -3.31 120.40 109.52 3i3b s VAL 421 Ca 0.57 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 3i3b s VAL 421 Cb -0.12 -1.08 0.27 0.00 0.00 0.00 0.00 36.38 35.45 3i3b s VAL 421 CO 0.51 -0.19 1.20 -2.16 0.00 0.00 0.00 175.10 174.46 3i3b s PRO 422 N 1.82 -0.80 0.53 2.72 0.04 -1.26 -4.82 135.00 133.23 3i3b s PRO 422 Ca -0.01 -0.28 0.17 0.00 0.04 0.00 0.00 61.00 60.92 3i3b s PRO 422 Cb -0.17 -1.67 1.31 0.00 0.04 0.00 0.00 34.50 34.02 3i3b s PRO 422 CO -0.08 -3.39 2.16 1.98 0.04 0.00 0.00 177.00 177.71 3i3b h MET 423 N -2.35 0.00 -0.69 4.56 4.05 -1.86 -2.59 114.93 116.05 3i3b h MET 423 Ca -0.43 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 3i3b h MET 423 Cb 1.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 3i3b h MET 423 CO 0.31 0.00 0.00 0.27 0.23 0.00 0.00 176.91 177.72 3i3b n ASN 424 N -4.49 4.01 -0.13 1.39 6.94 -1.26 -4.06 115.26 117.67 3i3b n ASN 424 Ca -0.03 -2.54 0.07 0.00 -0.02 0.00 0.00 54.58 52.06 3i3b n ASN 424 Cb 0.10 -0.59 0.39 0.00 -2.36 0.00 0.00 39.78 37.32 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 2.74 0.64 0.10 -3.83 2.43 -1.78 -1.95 114.38 112.73 3i3b h ARG 425 Ca 0.00 -0.04 -0.37 0.00 -0.81 0.00 0.00 59.98 58.76 3i3b h ARG 425 Cb 1.39 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 3i3b h ARG 425 CO 0.29 0.42 -2.08 1.28 -1.51 0.00 0.00 179.97 178.37 3i3b n LEU 426 N -4.47 2.62 0.06 3.80 4.77 -1.26 -4.07 117.00 118.44 3i3b n LEU 426 Ca 0.09 0.15 0.09 0.00 -0.03 0.00 0.00 56.01 56.31 3i3b n LEU 426 Cb 0.22 -1.02 0.39 0.00 -2.33 0.00 0.00 43.42 40.68 3i3b n LEU 426 CO 0.34 0.85 0.79 0.35 -1.33 0.00 0.00 177.39 178.39 3i3b n THR 427 N -3.42 0.91 0.82 -5.08 -2.24 -1.17 -1.66 114.28 102.44 3i3b n THR 427 Ca -0.34 0.23 0.10 0.00 -2.27 0.00 0.00 64.05 61.78 3i3b n THR 427 Cb 1.04 -1.06 0.09 0.00 -2.10 0.00 0.00 70.33 68.30 3i3b n THR 427 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i3b n ASP 428 N -1.84 2.77 -4.59 3.42 2.03 -0.74 -1.66 116.55 115.94 3i3b n ASP 428 Ca 0.03 -1.87 -0.39 0.00 0.52 0.00 0.00 54.79 53.08 3i3b n ASP 428 Cb 0.20 -0.02 -0.10 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.70 6.09 0.64 1.67 -1.08 -0.66 -4.62 116.67 117.00 3i3b s ASP 429 Ca 0.25 0.01 0.40 0.00 -0.52 0.00 0.00 52.55 52.69 3i3b s ASP 429 Cb 0.17 -2.15 2.18 0.00 -1.46 0.00 0.00 42.92 41.67 3i3b s ASP 429 CO 0.26 -0.11 2.31 1.55 0.52 0.00 0.00 175.17 179.70 3i3b h PRO 430 N 8.34 0.00 0.00 4.34 0.13 -1.90 -1.05 132.00 141.86 3i3b h PRO 430 Ca -0.34 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 3i3b h PRO 430 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3i3b h PRO 430 CO 0.59 0.01 -0.06 0.00 -0.23 0.00 0.00 178.00 178.31 3i3b h ARG 431 N 0.00 0.00 -0.02 0.86 3.08 -1.93 -1.97 114.38 114.39 3i3b h ARG 431 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i3b h ARG 431 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3i3b h ARG 431 CO 0.00 0.06 -0.16 0.91 -1.07 0.00 0.00 179.97 179.70 3i3b n TRP 432 N -3.25 0.00 -0.16 3.04 7.02 -0.40 -4.47 117.44 119.22 3i3b n TRP 432 Ca -0.01 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.42 3i3b n TRP 432 Cb 0.26 -0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.18 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 3.80 0.44 0.16 -0.99 5.85 -1.33 -2.12 115.31 121.13 3i3b h LEU 433 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3i3b h LEU 433 Cb 0.89 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3i3b h LEU 433 CO 0.00 0.31 -0.22 -0.65 -0.34 0.00 0.00 178.44 177.54 3i3b h PRO 434 N 0.55 -0.43 -0.94 5.25 0.11 -1.78 0.30 132.00 135.06 3i3b h PRO 434 Ca 0.20 0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.39 3i3b h PRO 434 Cb 0.04 0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.19 3i3b h PRO 434 CO -0.10 -0.29 0.62 0.00 -0.21 0.00 0.00 178.00 178.02 3i3b h ALA 435 N 0.30 1.43 -0.31 -0.75 0.00 -1.73 -2.20 119.26 116.00 3i3b h ALA 435 Ca 0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3i3b h ALA 435 Cb 0.44 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i3b h ALA 435 CO -0.09 0.45 -0.30 0.52 0.00 0.00 0.00 179.25 179.83 3i3b h MET 436 N 1.14 0.74 -0.86 0.00 2.86 -0.98 -3.19 114.93 114.64 3i3b h MET 436 Ca 0.39 -0.39 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3i3b h MET 436 Cb 0.09 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 3i3b h MET 436 CO -0.13 1.01 0.54 0.66 1.06 0.00 0.00 176.91 180.05 3i3b h SER 437 N 0.50 0.87 -0.07 1.22 4.64 0.17 -1.95 113.55 118.94 3i3b h SER 437 Ca 0.05 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 3i3b h SER 437 Cb 0.87 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 3i3b h SER 437 CO 0.07 0.57 -0.08 -0.33 -0.87 0.00 0.00 176.83 176.20 3i3b h GLU 438 N 1.01 0.33 0.00 4.77 5.08 -1.44 0.57 114.58 124.91 3i3b h GLU 438 Ca 0.36 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.59 3i3b h GLU 438 Cb 0.11 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3i3b h GLU 438 CO -0.15 0.43 -0.31 0.00 -1.00 0.00 0.00 179.01 177.98 3i3b h ARG 439 N 0.32 0.00 0.01 2.33 3.08 -1.35 -2.00 114.38 116.78 3i3b h ARG 439 Ca 0.07 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.83 3i3b h ARG 439 Cb 0.34 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 3i3b h ARG 439 CO 0.02 0.31 -1.60 0.28 -1.07 0.00 0.00 179.97 177.91 3i3b n VAL 440 N -3.55 1.56 -0.20 2.04 0.31 -0.68 -4.00 118.33 113.81 3i3b n VAL 440 Ca -0.00 -0.17 -0.09 0.00 -0.01 0.00 0.00 64.34 64.07 3i3b n VAL 440 Cb 0.45 -1.97 0.02 0.00 -0.91 0.00 0.00 33.84 31.43 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 -0.87 1.26 0.00 2.52 1.35 0.05 -2.49 112.91 114.73 3i3b h THR 441 Ca -0.43 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 3i3b h THR 441 Cb 1.45 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3i3b h THR 441 CO -0.22 0.36 0.00 0.03 -0.25 0.00 0.00 175.52 175.44 3i3b h ARG 442 N 0.84 0.00 0.00 4.72 3.08 -1.56 -1.38 114.38 120.09 3i3b h ARG 442 Ca 0.17 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 3i3b h ARG 442 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3i3b h ARG 442 CO 0.01 0.00 -0.08 1.98 -1.07 0.00 0.00 179.97 180.82 3i3b h MET 443 N 0.00 0.05 -0.60 0.04 4.05 -1.63 -3.03 114.93 113.81 3i3b h MET 443 Ca 0.00 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3i3b h MET 443 Cb 0.53 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 3i3b h MET 443 CO 0.00 0.86 0.36 0.28 0.23 0.00 0.00 176.91 178.63 3i3b h VAL 444 N -0.74 1.18 0.00 -5.77 2.07 -1.20 -0.75 116.25 111.05 3i3b h VAL 444 Ca -0.01 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3i3b h VAL 444 Cb 0.88 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3i3b h VAL 444 CO 0.02 0.18 -0.10 1.56 0.02 0.00 0.00 177.57 179.25 3i3b h GLN 445 N 0.81 0.00 0.00 1.57 4.20 -1.36 -1.85 115.11 118.47 3i3b h GLN 445 Ca 0.21 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.81 3i3b h GLN 445 Cb -0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3i3b h GLN 445 CO -0.04 0.10 -0.65 -0.09 -0.67 0.00 0.00 178.83 177.48 3i3b h ARG 446 N 0.00 0.00 -0.19 1.46 2.43 -1.25 -2.94 114.38 113.89 3i3b h ARG 446 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i3b h ARG 446 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3i3b h ARG 446 CO 0.01 0.82 0.00 -0.25 -1.51 0.00 0.00 179.97 179.04 3i3b n ASP 447 N -4.54 2.67 0.31 -3.80 8.00 -0.35 -4.30 116.55 114.53 3i3b n ASP 447 Ca -0.19 -1.87 0.20 0.00 0.71 0.00 0.00 54.79 53.64 3i3b n ASP 447 Cb 0.52 -0.11 1.08 0.00 -0.02 0.00 0.00 41.12 42.58 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 3.76 0.00 -0.00 -1.24 0.11 -1.55 -2.31 114.38 113.15 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 0.81 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.89 3i3b h ARG 448 CO 0.00 0.00 -0.52 0.09 0.10 0.00 0.00 179.97 179.64 3i3b n ASN 449 N -2.91 0.75 -4.66 0.08 3.02 -1.26 -4.86 115.26 105.42 3i3b n ASN 449 Ca -0.03 -0.55 -0.43 0.00 -0.03 0.00 0.00 54.58 53.54 3i3b n ASN 449 Cb 0.08 0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 39.57 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 -2.87 2.97 0.41 3.10 3.76 -0.87 -4.83 115.29 116.97 3i3b s HIS 450 Ca 0.14 1.12 0.20 0.00 -0.15 0.00 0.00 55.06 56.37 3i3b s HIS 450 Cb 0.18 -3.48 1.13 0.00 1.11 0.00 0.00 32.58 31.52 3i3b s HIS 450 CO 0.68 -1.36 1.99 -1.00 -0.85 0.00 0.00 174.74 174.20 3i3b h PRO 451 N 8.08 0.00 -0.04 8.40 0.13 -1.88 -2.86 132.00 143.83 3i3b h PRO 451 Ca -0.24 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 3i3b h PRO 451 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3i3b h PRO 451 CO 0.98 0.20 -0.11 0.66 -0.23 0.00 0.00 178.00 179.50 3i3b h SER 452 N 0.00 0.05 -3.26 1.44 4.64 -1.87 -3.39 113.55 111.16 3i3b h SER 452 Ca -0.00 -0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 60.74 3i3b h SER 452 Cb 0.41 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.43 3i3b h SER 452 CO 0.03 0.17 0.93 -0.69 -0.87 0.00 0.00 176.83 176.40 3i3b s VAL 453 N -4.80 4.26 -0.15 0.95 1.01 -1.08 0.08 120.40 120.67 3i3b s VAL 453 Ca -0.05 1.42 0.06 0.00 0.00 0.00 0.00 61.98 63.42 3i3b s VAL 453 Cb 0.16 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 3i3b s VAL 453 CO 0.70 -0.54 0.20 2.30 0.00 0.00 0.00 175.10 177.76 3i3b n ILE 454 N 6.18 0.00 -3.85 2.22 -5.35 -0.83 -4.92 119.36 112.81 3i3b n ILE 454 Ca 0.14 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.25 3i3b n ILE 454 Cb 0.47 0.67 -0.14 0.00 -1.74 0.00 0.00 39.64 38.90 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 -2.03 -0.00 -0.09 7.28 1.01 -1.21 -3.74 121.20 122.41 3i3b s ILE 455 Ca -0.00 0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 3i3b s ILE 455 Cb 0.04 -0.07 -0.04 0.00 0.01 0.00 0.00 42.46 42.41 3i3b s ILE 455 CO 0.26 0.00 0.13 0.26 0.00 0.00 0.00 174.94 175.60 3i3b s TRP 456 N 0.08 3.54 -0.05 3.97 0.52 -0.54 -1.73 118.94 124.74 3i3b s TRP 456 Ca -0.00 0.45 0.06 0.00 0.02 0.00 0.00 56.10 56.63 3i3b s TRP 456 Cb -0.01 -1.90 -0.01 0.00 -1.15 0.00 0.00 33.47 30.40 3i3b s TRP 456 CO -0.00 0.69 -0.23 0.45 0.02 0.00 0.00 176.95 177.88 3i3b s SER 457 N -1.24 2.85 0.00 2.95 0.15 0.19 -0.68 113.70 117.92 3i3b s SER 457 Ca 0.18 -0.47 0.32 0.00 0.70 0.00 0.00 55.95 56.68 3i3b s SER 457 Cb -0.12 -0.70 1.83 0.00 -1.71 0.00 0.00 66.02 65.32 3i3b s SER 457 CO 0.07 0.24 2.19 0.18 1.20 0.00 0.00 173.24 177.12 3i3b n LEU 458 N 2.91 0.01 0.00 3.45 4.77 -0.99 -1.35 117.00 125.80 3i3b n LEU 458 Ca -0.17 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3i3b n LEU 458 Cb 0.52 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3i3b n LEU 458 CO 0.25 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3i3b n GLY 459 N 1.05 0.77 3.29 -0.72 0.00 -1.26 -4.59 105.19 103.73 3i3b n GLY 459 Ca 0.22 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.40 -0.91 1.61 2.47 -0.74 -4.72 114.94 108.25 3i3b s ASN 460 Ca 0.00 0.75 -0.19 0.00 0.42 0.00 0.00 52.86 53.85 3i3b s ASN 460 Cb 0.00 0.78 0.03 0.00 -1.45 0.00 0.00 41.25 40.60 3i3b s ASN 460 CO 0.00 -0.17 0.55 -0.62 -3.72 0.00 0.00 177.10 173.15 3i3b n GLU 461 N 2.72 -0.71 -0.90 0.43 1.02 -1.26 -4.08 120.64 117.86 3i3b n GLU 461 Ca -0.14 0.23 0.05 0.00 -0.02 0.00 0.00 57.16 57.28 3i3b n GLU 461 Cb 0.57 -1.92 0.11 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.88 1.31 0.00 1.62 7.64 -1.26 -1.90 113.62 119.15 3i3b n SER 462 Ca -0.17 -2.87 0.00 0.00 1.01 0.00 0.00 58.87 56.85 3i3b n SER 462 Cb 0.53 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.39 1.02 2.76 0.23 0.00 -1.26 -4.01 105.19 103.55 3i3b n GLY 463 Ca 0.12 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 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 0.90 0.38 1.61 2.46 -1.26 -3.25 115.29 116.12 3i3b s HIS 464 Ca 0.00 -0.55 0.05 0.00 0.47 0.00 0.00 55.06 55.03 3i3b s HIS 464 Cb 0.00 -0.94 -0.06 0.00 -0.13 0.00 0.00 32.58 31.44 3i3b s HIS 464 CO 0.00 -0.48 0.04 0.20 -2.47 0.00 0.00 174.74 172.03 3i3b s GLY 465 N 1.90 2.34 0.52 1.59 0.00 -1.26 -4.86 107.32 107.54 3i3b s GLY 465 Ca 0.02 -1.94 0.20 0.00 0.00 0.00 0.00 44.72 43.00 3i3b s GLY 465 CO -0.07 -1.94 2.13 0.00 0.00 0.00 0.00 173.10 173.22 3i3b h ALA 466 N 1.91 1.76 0.00 3.20 0.00 -1.81 -1.08 119.26 123.24 3i3b h ALA 466 Ca -0.42 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3i3b h ALA 466 Cb 1.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i3b h ALA 466 CO 0.73 0.07 -0.15 -0.91 0.00 0.00 0.00 179.25 178.99 3i3b h ASN 467 N 0.00 0.00 -0.18 0.00 4.21 -1.63 -2.20 115.58 115.78 3i3b h ASN 467 Ca -0.00 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 3i3b h ASN 467 Cb 0.11 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.30 3i3b h ASN 467 CO 0.01 0.15 -0.17 0.45 -1.29 0.00 0.00 177.43 176.58 3i3b h HIS 468 N 0.00 0.52 -0.83 1.19 3.86 -1.37 -2.36 115.15 116.16 3i3b h HIS 468 Ca -0.00 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 3i3b h HIS 468 Cb 0.27 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 3i3b h HIS 468 CO 0.00 0.79 0.48 -0.44 0.86 0.00 0.00 177.93 179.63 3i3b h ASP 469 N 0.10 1.01 0.14 2.45 3.32 -1.44 0.11 116.42 122.11 3i3b h ASP 469 Ca 0.03 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3i3b h ASP 469 Cb 0.70 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3i3b h ASP 469 CO 0.04 0.79 -0.07 0.00 -1.72 0.00 0.00 179.24 178.29 3i3b h ALA 470 N 1.26 -0.18 -0.33 3.45 0.00 -1.40 -1.95 119.26 120.10 3i3b h ALA 470 Ca 0.30 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3i3b h ALA 470 Cb -0.02 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3i3b h ALA 470 CO -0.05 -0.56 -0.20 -0.07 0.00 0.00 0.00 179.25 178.37 3i3b h LEU 471 N -0.27 0.62 -0.01 0.00 3.38 -1.24 -0.66 115.31 117.13 3i3b h LEU 471 Ca -0.02 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3i3b h LEU 471 Cb 0.22 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3i3b h LEU 471 CO 0.03 0.83 -0.19 0.22 0.09 0.00 0.00 178.44 179.42 3i3b h TYR 472 N 0.55 -0.49 -0.28 1.13 3.20 -0.66 -1.23 116.97 119.19 3i3b h TYR 472 Ca 0.08 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 3i3b h TYR 472 Cb 0.65 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 3i3b h TYR 472 CO 0.03 -0.27 -0.00 -0.09 -1.64 0.00 0.00 178.16 176.19 3i3b h ARG 473 N -0.30 0.42 -0.59 1.82 9.65 -1.10 -2.13 114.38 122.15 3i3b h ARG 473 Ca 0.06 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3i3b h ARG 473 Cb 0.38 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 3i3b h ARG 473 CO -0.18 0.45 0.34 2.35 2.80 0.00 0.00 179.97 185.73 3i3b h TRP 474 N 0.41 0.79 0.00 2.20 7.01 -0.14 -1.30 115.95 124.93 3i3b h TRP 474 Ca 0.09 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 3i3b h TRP 474 Cb 0.27 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 3i3b h TRP 474 CO 0.01 0.56 -0.00 0.82 -2.79 0.00 0.00 178.44 177.03 3i3b h ILE 475 N 0.80 1.20 -0.70 2.65 2.04 -0.74 -1.50 117.51 121.25 3i3b h ILE 475 Ca 0.21 -0.60 0.17 0.00 1.00 0.00 0.00 64.86 65.64 3i3b h ILE 475 Cb 0.01 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 3i3b h ILE 475 CO -0.04 0.16 0.48 0.11 0.00 0.00 0.00 178.15 178.86 3i3b h LYS 476 N -0.26 0.18 0.06 2.37 1.79 -1.26 0.35 116.57 119.81 3i3b h LYS 476 Ca -0.00 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.34 3i3b h LYS 476 Cb 0.26 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 30.88 3i3b h LYS 476 CO 0.00 0.12 -0.49 1.03 -1.08 0.00 0.00 179.45 179.04 3i3b h SER 477 N 0.19 0.32 1.62 0.86 0.87 -0.90 -3.30 113.55 113.20 3i3b h SER 477 Ca 0.34 -0.91 -0.08 0.00 -1.23 0.00 0.00 61.79 59.91 3i3b h SER 477 Cb 1.07 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 3i3b h SER 477 CO -0.06 1.20 -0.38 -0.37 -0.53 0.00 0.00 176.83 176.68 3i3b h VAL 478 N -0.52 0.65 -2.20 2.23 -1.51 -0.64 -3.42 116.25 110.84 3i3b h VAL 478 Ca -0.08 -1.92 -0.44 0.00 -1.23 0.00 0.00 66.70 63.03 3i3b h VAL 478 Cb 1.33 2.32 -0.34 0.00 -2.13 0.00 0.00 31.29 32.47 3i3b h VAL 478 CO 0.09 0.37 -0.74 -0.62 -1.23 0.00 0.00 177.57 175.45 3i3b s ASP 479 N -6.39 1.88 0.00 4.19 2.15 0.12 -4.98 116.67 113.64 3i3b s ASP 479 Ca 0.05 -1.68 0.27 0.00 0.43 0.00 0.00 52.55 51.63 3i3b s ASP 479 Cb 0.07 0.22 1.38 0.00 -0.30 0.00 0.00 42.92 44.28 3i3b s ASP 479 CO 0.73 -0.30 1.94 -0.81 -0.17 0.00 0.00 175.17 176.56 3i3b n PRO 480 N 4.33 0.37 0.07 4.34 -0.04 -1.24 -3.76 135.00 139.07 3i3b n PRO 480 Ca 0.09 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 3i3b n PRO 480 Cb 0.43 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.85 3i3b n PRO 480 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i3b n SER 481 N -1.30 0.46 -4.06 3.54 3.41 -1.26 -4.80 113.62 109.62 3i3b n SER 481 Ca 0.13 0.56 -0.23 0.00 -0.26 0.00 0.00 58.87 59.07 3i3b n SER 481 Cb 0.22 -0.68 -0.16 0.00 -0.26 0.00 0.00 64.21 63.34 3i3b n SER 481 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i3b s ARG 482 N -3.10 1.27 0.67 4.33 0.52 -1.25 -4.25 118.95 117.14 3i3b s ARG 482 Ca 0.10 -0.43 -0.15 0.00 -0.52 0.00 0.00 55.73 54.73 3i3b s ARG 482 Cb 0.13 -1.15 0.00 0.00 0.52 0.00 0.00 34.95 34.45 3i3b s ARG 482 CO 0.50 0.18 1.11 -2.14 0.02 0.00 0.00 175.30 174.97 3i3b s PRO 483 N 0.08 2.74 -0.04 3.54 0.02 -1.25 -4.77 135.00 135.32 3i3b s PRO 483 Ca -0.02 1.38 0.04 0.00 0.02 0.00 0.00 61.00 62.42 3i3b s PRO 483 Cb -0.09 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 3i3b s PRO 483 CO 0.01 -1.29 -0.15 0.08 -0.33 0.00 0.00 177.00 175.32 3i3b s VAL 484 N -2.37 2.99 0.07 3.83 1.01 -1.26 -1.46 120.40 123.21 3i3b s VAL 484 Ca 0.67 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3i3b s VAL 484 Cb -0.20 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3i3b s VAL 484 CO 0.43 0.58 -0.05 0.00 0.00 0.00 0.00 175.10 176.05 3i3b s GLN 485 N -0.77 0.72 -0.29 2.72 -2.07 0.14 -0.29 119.66 119.84 3i3b s GLN 485 Ca 0.12 -1.27 -0.17 0.00 -1.82 0.00 0.00 55.36 52.21 3i3b s GLN 485 Cb -0.11 -0.01 0.14 0.00 -1.09 0.00 0.00 33.01 31.94 3i3b s GLN 485 CO 0.01 -0.06 0.95 -0.47 -1.32 0.00 0.00 175.29 174.40 3i3b s TYR 486 N -3.71 -0.61 -0.20 9.60 5.04 -1.26 -2.35 117.35 123.86 3i3b s TYR 486 Ca 0.09 1.25 0.21 0.00 -2.44 0.00 0.00 57.07 56.17 3i3b s TYR 486 Cb 0.06 0.38 -0.04 0.00 0.35 0.00 0.00 41.96 42.71 3i3b s TYR 486 CO -0.07 -0.30 0.98 1.49 -1.34 0.00 0.00 175.55 176.31 3i3b h GLU 487 N 5.91 0.00 -6.81 4.97 4.22 -1.84 -3.43 114.58 117.60 3i3b h GLU 487 Ca -0.28 0.00 -0.57 0.00 0.08 0.00 0.00 59.36 58.59 3i3b h GLU 487 Cb 1.19 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.60 3i3b h GLU 487 CO 0.18 0.09 0.14 0.41 -2.18 0.00 0.00 179.01 177.65 3i3b n GLY 488 N 1.25 -0.28 2.21 1.92 0.00 -1.26 -0.14 105.19 108.88 3i3b n GLY 488 Ca -0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 1.26 0.88 0.00 -0.02 0.00 -1.20 -3.94 105.19 102.17 3i3b n GLY 489 Ca 0.13 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.12 1.00 3.63 -0.02 0.00 -1.20 -4.72 105.19 101.76 3i3b n GLY 490 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.07 0.00 -2.29 4.61 0.00 0.80 -4.69 120.51 118.87 3i3b n ALA 491 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3i3b n ALA 491 Cb 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.05 0.57 -3.12 0.00 5.68 -1.26 -2.43 116.55 115.94 3i3b n ASP 492 Ca 0.00 -1.99 -0.18 0.00 -0.50 0.00 0.00 54.79 52.12 3i3b n ASP 492 Cb 0.03 -0.25 0.15 0.00 -1.14 0.00 0.00 41.12 39.91 3i3b n ASP 492 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3i3b n THR 493 N 0.29 0.00 1.92 2.12 -2.24 -1.26 -4.90 114.28 110.21 3i3b n THR 493 Ca 0.03 -0.21 0.16 0.00 -2.27 0.00 0.00 64.05 61.76 3i3b n THR 493 Cb 0.96 -0.99 0.92 0.00 -2.10 0.00 0.00 70.33 69.12 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 -4.08 0.00 -0.95 4.28 -2.24 -1.26 -3.37 114.28 106.66 3i3b n THR 494 Ca 0.09 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.92 3i3b n THR 494 Cb 0.34 -0.51 0.37 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.03 3.86 -3.41 6.98 0.00 -1.26 -4.93 120.51 120.72 3i3b n ALA 495 Ca 0.23 -2.05 -0.13 0.00 0.00 0.00 0.00 53.44 51.49 3i3b n ALA 495 Cb 0.12 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.82 -0.02 -1.00 0.00 -1.32 -1.22 -4.04 115.64 105.22 3i3b s THR 496 Ca 0.53 0.07 0.26 0.00 -1.21 0.00 0.00 61.69 61.34 3i3b s THR 496 Cb 0.41 -0.35 0.05 0.00 -1.51 0.00 0.00 72.50 71.11 3i3b s THR 496 CO 0.14 0.03 1.51 0.47 -2.21 0.00 0.00 174.62 174.57 3i3b n ASP 497 N 3.58 0.41 -4.03 8.08 8.00 0.61 -4.83 116.55 128.36 3i3b n ASP 497 Ca -0.19 -0.11 -0.23 0.00 0.71 0.00 0.00 54.79 54.97 3i3b n ASP 497 Cb 0.56 0.11 -0.16 0.00 -0.02 0.00 0.00 41.12 41.61 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 -3.00 1.02 -0.39 0.53 1.01 -1.26 -4.47 121.20 114.65 3i3b s ILE 498 Ca 0.12 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.01 3i3b s ILE 498 Cb 0.18 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.73 3i3b s ILE 498 CO 0.67 0.32 1.51 -0.63 0.00 0.00 0.00 174.94 176.81 3i3b s ILE 499 N 0.34 3.79 -0.55 2.92 1.01 -0.30 -4.69 121.20 123.72 3i3b s ILE 499 Ca -0.07 0.81 0.06 0.00 0.00 0.00 0.00 60.65 61.45 3i3b s ILE 499 Cb -0.12 -4.05 0.34 0.00 0.01 0.00 0.00 42.46 38.64 3i3b s ILE 499 CO 0.02 -0.66 0.93 0.00 0.00 0.00 0.00 174.94 175.23 3i3b s PRO 501 N -3.37 0.99 -0.16 0.00 0.04 -1.26 -3.72 135.00 127.52 3i3b s PRO 501 Ca 0.48 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.78 3i3b s PRO 501 Cb 0.29 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 33.10 3i3b s PRO 501 CO -0.13 -2.55 -0.20 0.00 0.04 0.00 0.00 177.00 174.16 3i3b s MET 502 N -4.72 3.03 -1.25 4.56 0.23 -1.26 -2.03 119.30 117.86 3i3b s MET 502 Ca 0.65 -0.83 0.00 0.00 -1.03 0.00 0.00 55.69 54.49 3i3b s MET 502 Cb -0.21 -2.54 0.00 0.00 -1.53 0.00 0.00 34.83 30.55 3i3b s MET 502 CO 0.58 -0.12 0.00 0.66 -2.03 0.00 0.00 175.02 174.11 3i3b n TYR 503 N 4.38 0.00 -2.08 3.16 4.01 -0.23 -4.97 117.16 121.43 3i3b n TYR 503 Ca -0.20 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.13 3i3b n TYR 503 Cb 0.51 -2.27 -0.02 0.00 -0.31 0.00 0.00 39.34 37.25 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 -2.36 3.46 0.56 -0.72 0.00 -1.26 -4.87 121.76 116.56 3i3b s ALA 504 Ca 0.00 1.28 -0.04 0.00 0.00 0.00 0.00 51.96 53.20 3i3b s ALA 504 Cb 0.00 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.64 3i3b s ALA 504 CO 0.00 -0.70 0.84 1.03 0.00 0.00 0.00 175.76 176.93 3i3b s ARG 505 N -1.90 2.90 0.01 0.00 0.52 -1.26 -4.76 118.95 114.46 3i3b s ARG 505 Ca 0.51 -0.18 -0.25 0.00 -0.52 0.00 0.00 55.73 55.28 3i3b s ARG 505 Cb -0.40 -2.35 -0.17 0.00 0.52 0.00 0.00 34.95 32.55 3i3b s ARG 505 CO 0.53 -0.62 1.29 0.28 0.02 0.00 0.00 175.30 176.80 3i3b h VAL 506 N -0.04 0.87 0.00 3.52 2.07 -1.93 0.17 116.25 120.90 3i3b h VAL 506 Ca -0.45 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 66.31 3i3b h VAL 506 Cb 1.26 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 3i3b h VAL 506 CO 0.59 0.14 -1.38 0.47 0.02 0.00 0.00 177.57 177.41 3i3b n ASP 507 N -5.07 3.61 -4.70 0.57 8.00 -1.26 -3.60 116.55 114.10 3i3b n ASP 507 Ca -0.09 -0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.01 3i3b n ASP 507 Cb 0.24 0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 41.86 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 -2.14 4.38 0.36 -1.24 2.12 -1.26 -4.71 118.70 116.21 3i3b s GLU 508 Ca -0.03 0.80 -0.16 0.00 0.36 0.00 0.00 54.97 55.93 3i3b s GLU 508 Cb 0.02 -3.48 -0.09 0.00 0.26 0.00 0.00 34.13 30.84 3i3b s GLU 508 CO 0.22 -0.01 0.80 -0.51 -0.54 0.00 0.00 175.26 175.23 3i3b s ASP 509 N 0.87 6.80 -0.54 -1.70 1.01 -1.26 -3.91 116.67 117.94 3i3b s ASP 509 Ca 0.35 1.39 0.04 0.00 0.71 0.00 0.00 52.55 55.04 3i3b s ASP 509 Cb -0.17 -2.42 0.17 0.00 1.01 0.00 0.00 42.92 41.51 3i3b s ASP 509 CO 0.15 -0.27 0.39 -1.10 0.21 0.00 0.00 175.17 174.56 3i3b s GLN 510 N -3.12 1.62 -0.39 8.23 -0.21 -0.11 -4.94 119.66 120.76 3i3b s GLN 510 Ca 0.56 -2.63 -0.03 0.00 0.02 0.00 0.00 55.36 53.28 3i3b s GLN 510 Cb -0.10 -2.40 -0.07 0.00 1.00 0.00 0.00 33.01 31.45 3i3b s GLN 510 CO 0.17 -1.32 1.80 -0.35 -2.12 0.00 0.00 175.29 173.48 3i3b n PRO 511 N 2.56 1.23 -1.84 2.91 -0.04 -1.26 -1.11 135.00 137.44 3i3b n PRO 511 Ca 0.23 -0.86 -0.39 0.00 -0.04 0.00 0.00 63.50 62.43 3i3b n PRO 511 Cb 0.41 -2.06 0.02 0.00 -0.04 0.00 0.00 33.50 31.83 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 3.14 2.43 0.33 0.54 0.08 -1.26 -4.88 117.98 118.36 3i3b s PHE 512 Ca 0.28 1.34 -0.29 0.00 0.12 0.00 0.00 56.93 58.39 3i3b s PHE 512 Cb 0.10 -3.81 -0.10 0.00 -0.57 0.00 0.00 43.02 38.63 3i3b s PHE 512 CO -0.01 -2.77 1.38 -2.14 -0.10 0.00 0.00 175.22 171.57 3i3b s PRO 513 N -2.66 4.27 0.00 0.24 0.02 -1.26 -2.37 135.00 133.25 3i3b s PRO 513 Ca 0.66 2.33 0.00 0.00 0.02 0.00 0.00 61.00 64.01 3i3b s PRO 513 Cb -0.41 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.07 3i3b s PRO 513 CO 0.51 -0.32 0.00 0.00 -0.33 0.00 0.00 177.00 176.86 3i3b n ALA 514 N 0.90 0.00 -3.19 -1.55 0.00 -1.26 -4.54 120.51 110.87 3i3b n ALA 514 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.20 3i3b n ALA 514 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 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 1.77 -2.30 0.00 0.24 -1.24 -4.85 118.33 111.95 3i3b n VAL 515 Ca 0.00 -5.07 -0.35 0.00 -2.04 0.00 0.00 64.34 56.88 3i3b n VAL 515 Cb 0.00 -1.56 -0.00 0.00 -1.47 0.00 0.00 33.84 30.80 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 -2.62 3.47 -0.60 7.34 0.04 -1.00 -4.59 135.00 137.05 3i3b s PRO 516 Ca 0.42 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 63.02 3i3b s PRO 516 Cb 0.23 -2.07 0.16 0.00 0.04 0.00 0.00 34.50 32.85 3i3b s PRO 516 CO -0.08 -0.75 0.43 0.15 0.04 0.00 0.00 177.00 176.79 3i3b s LYS 517 N -3.19 2.59 0.70 4.56 1.02 -0.26 -4.89 119.74 120.27 3i3b s LYS 517 Ca 0.71 -2.32 -0.11 0.00 0.02 0.00 0.00 55.97 54.26 3i3b s LYS 517 Cb -0.24 -3.82 0.01 0.00 -0.52 0.00 0.00 37.83 33.27 3i3b s LYS 517 CO 0.27 -1.18 1.06 -1.58 -0.92 0.00 0.00 175.35 173.01 3i3b s TRP 518 N 0.32 3.03 0.45 3.18 0.52 -1.26 -0.93 118.94 124.25 3i3b s TRP 518 Ca 0.14 1.45 -0.25 0.00 0.02 0.00 0.00 56.10 57.46 3i3b s TRP 518 Cb -0.20 -2.91 -0.08 0.00 -1.15 0.00 0.00 33.47 29.13 3i3b s TRP 518 CO -0.04 -1.30 1.35 -1.54 0.02 0.00 0.00 176.95 175.45 3i3b s SER 519 N -3.64 5.95 0.38 2.95 1.04 -1.25 -4.25 113.70 114.87 3i3b s SER 519 Ca 0.59 2.76 0.06 0.00 0.48 0.00 0.00 55.95 59.84 3i3b s SER 519 Cb -0.15 -2.64 0.78 0.00 0.10 0.00 0.00 66.02 64.11 3i3b s SER 519 CO 0.53 -1.11 2.00 0.16 0.98 0.00 0.00 173.24 175.80 3i3b h ILE 520 N 2.18 1.07 -0.63 -1.02 3.07 -0.72 0.18 117.51 121.64 3i3b h ILE 520 Ca -0.50 -0.24 -0.08 0.00 1.55 0.00 0.00 64.86 65.59 3i3b h ILE 520 Cb 1.26 0.31 -0.03 0.00 -0.27 0.00 0.00 36.82 38.10 3i3b h ILE 520 CO 0.61 0.13 0.10 0.11 -1.05 0.00 0.00 178.15 178.04 3i3b h LYS 521 N 0.69 1.04 -0.07 0.16 1.57 -1.82 -3.02 116.57 115.12 3i3b h LYS 521 Ca 0.24 -0.27 -0.24 0.00 -1.87 0.00 0.00 60.65 58.51 3i3b h LYS 521 Cb 0.11 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.31 3i3b h LYS 521 CO -0.07 0.96 -0.91 -0.22 -0.57 0.00 0.00 179.45 178.64 3i3b h LYS 522 N 0.97 0.69 -0.85 3.15 3.64 -1.65 -3.31 116.57 119.22 3i3b h LYS 522 Ca 0.19 -0.66 0.14 0.00 -1.27 0.00 0.00 60.65 59.06 3i3b h LYS 522 Cb 0.43 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.32 3i3b h LYS 522 CO 0.01 1.25 0.45 2.35 -2.27 0.00 0.00 179.45 181.25 3i3b h TRP 523 N 0.43 0.79 -0.99 1.91 2.91 -0.87 -2.43 115.95 117.70 3i3b h TRP 523 Ca -0.09 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.03 3i3b h TRP 523 Cb 1.55 -0.22 -0.07 0.00 -0.51 0.00 0.00 29.16 29.91 3i3b h TRP 523 CO 0.09 0.21 0.64 -0.07 -1.03 0.00 0.00 178.44 178.27 3i3b h LEU 524 N 0.65 1.02 -2.71 0.65 3.38 -1.61 -3.02 115.31 113.67 3i3b h LEU 524 Ca 0.46 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3i3b h LEU 524 Cb 0.63 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3i3b h LEU 524 CO -0.35 0.65 0.00 -1.54 0.09 0.00 0.00 178.44 177.29 3i3b n SER 525 N -4.51 4.12 -4.77 -0.43 3.41 -0.92 -4.56 113.62 105.95 3i3b n SER 525 Ca 0.15 -2.34 -0.40 0.00 -0.26 0.00 0.00 58.87 56.02 3i3b n SER 525 Cb 0.18 -0.53 0.01 0.00 -0.26 0.00 0.00 64.21 63.61 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 1.01 5.00 -4.69 1.04 4.77 -1.15 -4.79 117.00 118.20 3i3b n LEU 526 Ca 0.22 1.17 -0.63 0.00 -0.03 0.00 0.00 56.01 56.75 3i3b n LEU 526 Cb 0.76 -1.62 -0.09 0.00 -2.33 0.00 0.00 43.42 40.15 3i3b n LEU 526 CO 0.20 0.01 1.10 -2.65 -1.33 0.00 0.00 177.39 174.72 3i3b n PRO 527 N 0.10 0.41 0.00 3.23 -0.02 -1.26 -0.70 135.00 136.75 3i3b n PRO 527 Ca 0.03 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3i3b n PRO 527 Cb 0.40 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 3.60 2.82 3.74 -1.23 0.00 -1.26 -5.03 105.19 107.82 3i3b n GLY 528 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.37 4.59 0.00 1.61 2.56 0.12 -4.91 118.70 122.30 3i3b s GLU 529 Ca 0.00 1.70 0.00 0.00 0.00 0.00 0.00 54.97 56.67 3i3b s GLU 529 Cb 0.00 -3.29 0.00 0.00 2.00 0.00 0.00 34.13 32.84 3i3b s GLU 529 CO 0.00 0.06 0.00 0.25 -0.56 0.00 0.00 175.26 175.01 3i3b n THR 530 N 2.49 0.00 -1.45 -1.70 -2.24 -1.26 -4.77 114.28 105.35 3i3b n THR 530 Ca 0.03 -0.06 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 3i3b n THR 530 Cb 0.46 0.90 0.07 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.15 2.48 0.72 -0.78 0.52 -1.26 -4.05 118.95 116.43 3i3b s ARG 531 Ca 0.00 1.23 -0.11 0.00 -0.52 0.00 0.00 55.73 56.33 3i3b s ARG 531 Cb 0.00 -1.92 0.02 0.00 0.52 0.00 0.00 34.95 33.57 3i3b s ARG 531 CO 0.00 -1.48 1.08 -1.25 0.02 0.00 0.00 175.30 173.67 3i3b s PRO 532 N -4.63 2.73 -0.15 3.54 0.04 -1.12 -4.79 135.00 130.62 3i3b s PRO 532 Ca 0.63 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.39 3i3b s PRO 532 Cb -0.18 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.40 3i3b s PRO 532 CO 0.51 -1.18 -0.13 -1.17 0.04 0.00 0.00 177.00 175.06 3i3b s LEU 533 N -5.53 1.69 -0.19 -3.56 0.20 0.13 -1.15 118.68 110.27 3i3b s LEU 533 Ca 0.59 -0.51 -0.02 0.00 0.69 0.00 0.00 54.13 54.87 3i3b s LEU 533 Cb -0.13 -1.15 0.06 0.00 -0.43 0.00 0.00 46.19 44.54 3i3b s LEU 533 CO 0.54 -0.07 0.02 -0.63 -0.29 0.00 0.00 176.35 175.91 3i3b s ILE 534 N 1.50 0.68 0.10 6.68 1.01 -0.32 -1.52 121.20 129.35 3i3b s ILE 534 Ca 0.04 -0.60 -0.31 0.00 0.00 0.00 0.00 60.65 59.78 3i3b s ILE 534 Cb -0.13 -1.11 -0.09 0.00 0.01 0.00 0.00 42.46 41.13 3i3b s ILE 534 CO -0.10 -0.14 1.66 -0.76 0.00 0.00 0.00 174.94 175.60 3i3b s LEU 535 N 1.79 4.37 0.46 2.97 1.43 -0.97 -4.07 118.68 124.66 3i3b s LEU 535 Ca -0.01 2.57 0.26 0.00 -1.03 0.00 0.00 54.13 55.92 3i3b s LEU 535 Cb -0.17 -3.57 0.76 0.00 0.03 0.00 0.00 46.19 43.24 3i3b s LEU 535 CO -0.07 -0.89 1.76 0.00 0.23 0.00 0.00 176.35 177.37 3i3b s GLU 537 N -3.41 0.47 0.06 0.00 2.02 -1.23 -4.27 118.70 112.34 3i3b s GLU 537 Ca 0.04 0.63 -0.28 0.00 0.02 0.00 0.00 54.97 55.38 3i3b s GLU 537 Cb 0.07 0.18 0.09 0.00 0.10 0.00 0.00 34.13 34.57 3i3b s GLU 537 CO 0.63 -0.08 1.02 1.52 0.02 0.00 0.00 175.26 178.37 3i3b s TYR 538 N 0.49 -0.17 -0.94 1.61 1.13 -0.87 -1.07 117.35 117.54 3i3b s TYR 538 Ca -0.02 -0.04 -0.09 0.00 -1.41 0.00 0.00 57.07 55.50 3i3b s TYR 538 Cb -0.04 0.59 -0.01 0.00 -1.10 0.00 0.00 41.96 41.40 3i3b s TYR 538 CO -0.03 -0.62 0.73 0.00 -2.51 0.00 0.00 175.55 173.13 3i3b n ALA 539 N -0.39 -2.60 -1.61 9.51 0.00 -1.26 -1.66 120.51 122.50 3i3b n ALA 539 Ca -0.07 -0.15 -0.44 0.00 0.00 0.00 0.00 53.44 52.78 3i3b n ALA 539 Cb 0.61 -2.67 -0.04 0.00 0.00 0.00 0.00 19.45 17.36 3i3b n ALA 539 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i3b n HIS 540 N -3.05 2.13 -0.92 0.00 -0.00 -0.39 -3.90 115.22 109.08 3i3b n HIS 540 Ca -0.12 -0.15 -0.17 0.00 0.46 0.00 0.00 57.72 57.74 3i3b n HIS 540 Cb 0.59 -2.72 0.03 0.00 -0.12 0.00 0.00 29.99 27.77 3i3b n HIS 540 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i3b n ALA 541 N 9.78 5.19 -2.41 1.57 0.00 0.73 -4.29 120.51 131.07 3i3b n ALA 541 Ca 0.27 -1.73 -0.43 0.00 0.00 0.00 0.00 53.44 51.55 3i3b n ALA 541 Cb 0.40 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.84 3.12 0.00 0.00 0.00 -1.26 -3.75 121.76 118.04 3i3b s ALA 542 Ca 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3i3b s ALA 542 Cb 0.25 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3i3b s ALA 542 CO -0.01 -2.26 0.00 0.41 0.00 0.00 0.00 175.76 173.90 3i3b n GLY 543 N 4.89 2.28 3.56 0.00 0.00 -1.26 -4.12 105.19 110.55 3i3b n GLY 543 Ca 0.15 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 5.74 0.00 1.61 3.84 -1.26 -4.87 114.94 116.00 3i3b s ASN 544 Ca 0.00 -1.25 0.00 0.00 0.21 0.00 0.00 52.86 51.82 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 -2.23 0.00 -0.24 -2.79 0.00 0.00 177.10 171.84 3i3b n SER 545 N 11.82 0.43 -0.08 -4.21 2.88 -1.26 -4.77 113.62 118.43 3i3b n SER 545 Ca 0.39 -0.32 -0.01 0.00 -1.33 0.00 0.00 58.87 57.60 3i3b n SER 545 Cb 0.48 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 -0.40 -4.72 2.46 7.94 -1.23 -4.75 117.00 116.31 3i3b n LEU 546 Ca 0.00 0.01 -0.42 0.00 -1.11 0.00 0.00 56.01 54.50 3i3b n LEU 546 Cb 0.00 -0.60 -0.03 0.00 0.53 0.00 0.00 43.42 43.31 3i3b n LEU 546 CO 0.00 -0.03 0.86 -0.83 -1.11 0.00 0.00 177.39 176.28 3i3b s GLY 547 N -2.98 2.50 0.00 -3.96 0.00 -0.38 -2.62 107.32 99.87 3i3b s GLY 547 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.55 3i3b s GLY 547 CO 0.00 1.97 0.00 0.61 0.00 0.00 0.00 173.10 175.68 3i3b n GLY 548 N 3.03 0.75 0.23 0.20 0.00 0.15 -4.01 105.19 105.55 3i3b n GLY 548 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 0.59 -0.09 1.61 3.57 -1.69 -1.46 116.94 119.47 3i3b h PHE 549 Ca 0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.55 3i3b h PHE 549 Cb 0.00 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 3i3b h PHE 549 CO 0.00 0.29 0.10 0.00 -2.23 0.00 0.00 178.31 176.47 3i3b h ALA 550 N 1.31 1.70 -0.58 2.41 0.00 -1.87 -1.74 119.26 120.48 3i3b h ALA 550 Ca 0.26 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3i3b h ALA 550 Cb 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3i3b h ALA 550 CO -0.16 -0.15 -0.05 -0.22 0.00 0.00 0.00 179.25 178.67 3i3b h LYS 551 N 0.00 1.06 -0.28 0.00 3.64 -1.66 -1.87 116.57 117.46 3i3b h LYS 551 Ca 0.04 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 3i3b h LYS 551 Cb 0.24 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3i3b h LYS 551 CO -0.00 1.06 0.15 1.88 -2.27 0.00 0.00 179.45 180.28 3i3b h TYR 552 N 0.96 0.39 0.00 1.91 0.05 -1.36 -2.59 116.97 116.33 3i3b h TYR 552 Ca 0.16 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.84 3i3b h TYR 552 Cb 0.62 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 3i3b h TYR 552 CO 0.04 0.33 -0.45 -1.49 -1.05 0.00 0.00 178.16 175.54 3i3b h TRP 553 N 0.34 0.00 -0.49 4.88 4.06 -1.46 0.17 115.95 123.44 3i3b h TRP 553 Ca 0.10 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.93 3i3b h TRP 553 Cb 0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.21 3i3b h TRP 553 CO -0.03 0.45 -0.17 0.37 -3.56 0.00 0.00 178.44 175.50 3i3b h GLN 554 N 0.00 0.97 -0.20 0.49 -0.00 -1.26 -1.78 115.11 113.34 3i3b h GLN 554 Ca -0.00 -0.39 -0.08 0.00 -0.00 0.00 0.00 58.65 58.18 3i3b h GLN 554 Cb 0.83 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 28.26 3i3b h GLN 554 CO 0.06 1.06 -0.18 0.00 0.00 0.00 0.00 178.83 179.77 3i3b h ALA 555 N 0.94 0.29 -0.93 3.38 0.00 -1.00 -2.20 119.26 119.74 3i3b h ALA 555 Ca 0.12 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.77 3i3b h ALA 555 Cb 0.73 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 3i3b h ALA 555 CO 0.06 0.20 0.58 0.74 0.00 0.00 0.00 179.25 180.83 3i3b h PHE 556 N 0.15 1.07 0.00 0.00 0.04 -0.61 -0.89 116.94 116.69 3i3b h PHE 556 Ca 0.03 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.70 3i3b h PHE 556 Cb 0.71 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 3i3b h PHE 556 CO 0.08 0.50 -0.65 0.00 -0.60 0.00 0.00 178.31 177.64 3i3b h ARG 557 N 1.01 0.00 0.06 1.51 3.08 -1.25 -3.30 114.38 115.49 3i3b h ARG 557 Ca 0.43 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.22 3i3b h ARG 557 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3i3b h ARG 557 CO -0.21 0.65 -1.29 0.37 -1.07 0.00 0.00 179.97 178.42 3i3b h GLN 558 N 0.00 0.13 -4.74 0.04 4.15 -0.75 -3.44 115.11 110.49 3i3b h GLN 558 Ca -0.01 -0.21 -0.68 0.00 0.77 0.00 0.00 58.65 58.52 3i3b h GLN 558 Cb 1.18 0.08 -0.23 0.00 0.21 0.00 0.00 27.48 28.72 3i3b h GLN 558 CO 0.08 1.01 -0.55 0.71 -1.93 0.00 0.00 178.83 178.16 3i3b s TYR 559 N -2.66 3.19 0.24 3.99 1.51 -0.40 -5.00 117.35 118.22 3i3b s TYR 559 Ca -0.03 -0.64 -0.06 0.00 -1.01 0.00 0.00 57.07 55.33 3i3b s TYR 559 Cb 0.08 -2.37 0.42 0.00 -0.11 0.00 0.00 41.96 39.98 3i3b s TYR 559 CO 0.84 -0.49 1.72 -1.35 -1.11 0.00 0.00 175.55 175.16 3i3b h PRO 560 N 8.37 0.36 0.00 -1.71 0.11 -1.86 -1.38 132.00 135.89 3i3b h PRO 560 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3i3b h PRO 560 Cb 1.14 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3i3b h PRO 560 CO 0.63 0.24 0.00 0.54 -0.21 0.00 0.00 178.00 179.20 3i3b n ARG 561 N -5.05 0.34 -3.02 1.05 1.74 -1.26 -4.38 116.66 106.08 3i3b n ARG 561 Ca 0.13 0.03 -0.44 0.00 -0.77 0.00 0.00 57.85 56.80 3i3b n ARG 561 Cb 0.40 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.63 5.09 -0.49 0.55 1.43 -0.52 -0.69 118.68 121.41 3i3b s LEU 562 Ca 0.24 -1.41 0.03 0.00 -1.03 0.00 0.00 54.13 51.96 3i3b s LEU 562 Cb 0.18 -2.35 0.59 0.00 0.03 0.00 0.00 46.19 44.65 3i3b s LEU 562 CO 0.43 -1.19 1.90 0.00 0.23 0.00 0.00 176.35 177.72 3i3b n GLN 563 N 6.71 2.36 0.00 1.70 6.02 -0.57 -4.64 117.38 128.95 3i3b n GLN 563 Ca -0.03 -3.12 0.00 0.00 -0.01 0.00 0.00 57.00 53.83 3i3b n GLN 563 Cb 0.44 -2.18 0.00 0.00 1.02 0.00 0.00 30.24 29.52 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 -1.08 0.48 0.00 1.08 0.00 -1.26 -0.34 105.19 104.08 3i3b n GLY 564 Ca 0.59 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.99 3.18 -0.02 0.00 -0.89 -2.28 105.19 103.19 3i3b n GLY 565 Ca 0.00 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.16 3.00 0.54 1.61 0.40 0.13 -1.35 117.98 120.15 3i3b s PHE 566 Ca 0.00 -1.60 -0.21 0.00 -0.60 0.00 0.00 56.93 54.52 3i3b s PHE 566 Cb 0.00 -2.01 -0.05 0.00 0.51 0.00 0.00 43.02 41.47 3i3b s PHE 566 CO 0.00 -0.75 1.28 0.08 0.70 0.00 0.00 175.22 176.54 3i3b s VAL 567 N 1.31 2.39 -0.31 -0.44 1.01 -0.55 -2.04 120.40 121.76 3i3b s VAL 567 Ca 0.01 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.27 3i3b s VAL 567 Cb -0.16 -3.13 0.07 0.00 0.00 0.00 0.00 36.38 33.16 3i3b s VAL 567 CO -0.07 -0.02 0.00 0.86 0.00 0.00 0.00 175.10 175.88 3i3b s TRP 568 N -1.41 3.40 0.00 5.22 -0.11 -0.66 -1.05 118.94 124.32 3i3b s TRP 568 Ca 0.72 -2.28 0.00 0.00 1.22 0.00 0.00 56.10 55.76 3i3b s TRP 568 Cb -0.36 -2.34 0.00 0.00 -1.50 0.00 0.00 33.47 29.27 3i3b s TRP 568 CO 0.42 -0.88 0.00 -0.40 -4.62 0.00 0.00 176.95 171.47 3i3b n ASP 569 N 4.49 0.00 -0.00 5.86 5.75 -0.20 -0.19 116.55 132.26 3i3b n ASP 569 Ca -0.09 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.62 3i3b n ASP 569 Cb 0.42 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.46 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 0.00 -0.10 -3.98 2.11 2.91 -1.52 -2.01 115.95 113.36 3i3b h TRP 570 Ca 0.00 -0.00 -0.45 0.00 1.13 0.00 0.00 58.89 59.56 3i3b h TRP 570 Cb 0.00 0.03 -0.30 0.00 -0.51 0.00 0.00 29.16 28.39 3i3b h TRP 570 CO 0.00 0.24 -0.80 0.54 -1.03 0.00 0.00 178.44 177.39 3i3b s VAL 571 N -2.33 0.94 0.29 2.65 0.11 -1.26 -1.34 120.40 119.47 3i3b s VAL 571 Ca -0.08 -0.48 -0.30 0.00 -2.93 0.00 0.00 61.98 58.19 3i3b s VAL 571 Cb -0.00 -0.81 -0.13 0.00 -1.53 0.00 0.00 36.38 33.91 3i3b s VAL 571 CO 0.29 0.28 1.36 0.47 -3.33 0.00 0.00 175.10 174.17 3i3b n ASP 572 N 3.02 2.81 -3.25 3.54 8.00 -0.83 -4.40 116.55 125.44 3i3b n ASP 572 Ca -0.16 1.17 -0.37 0.00 0.71 0.00 0.00 54.79 56.14 3i3b n ASP 572 Cb 0.55 -1.46 -0.01 0.00 -0.02 0.00 0.00 41.12 40.18 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 1.34 4.15 -3.80 -1.24 6.02 -0.28 -4.17 117.38 119.39 3i3b n GLN 573 Ca 0.08 -3.43 -0.27 0.00 -0.01 0.00 0.00 57.00 53.37 3i3b n GLN 573 Cb 0.34 -2.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.10 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 -0.02 6.37 0.15 1.08 1.04 -1.26 -4.72 113.70 116.34 3i3b s SER 574 Ca 0.52 0.32 0.11 0.00 0.48 0.00 0.00 55.95 57.38 3i3b s SER 574 Cb 0.25 -1.97 -0.04 0.00 0.10 0.00 0.00 66.02 64.35 3i3b s SER 574 CO -0.15 0.01 -0.23 -0.76 0.98 0.00 0.00 173.24 173.09 3i3b s LEU 575 N -3.19 2.48 -0.08 2.42 1.43 -0.22 -4.25 118.68 117.28 3i3b s LEU 575 Ca 0.37 -0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 52.51 3i3b s LEU 575 Cb -0.11 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 3i3b s LEU 575 CO 0.29 0.16 0.68 -0.63 0.23 0.00 0.00 176.35 177.07 3i3b s ILE 576 N -1.29 5.06 0.18 -0.59 -1.09 -0.58 0.14 121.20 123.03 3i3b s ILE 576 Ca 0.17 1.39 0.08 0.00 -2.23 0.00 0.00 60.65 60.06 3i3b s ILE 576 Cb -0.09 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 3i3b s ILE 576 CO 0.09 0.25 -0.16 -0.54 -1.23 0.00 0.00 174.94 173.34 3i3b s LYS 577 N 0.84 1.28 -0.04 2.79 1.02 -0.44 -4.94 119.74 120.25 3i3b s LYS 577 Ca 0.36 -1.47 0.06 0.00 0.02 0.00 0.00 55.97 54.95 3i3b s LYS 577 Cb -0.17 -1.22 -0.01 0.00 -0.52 0.00 0.00 37.83 35.90 3i3b s LYS 577 CO 0.17 0.23 -0.24 0.71 -0.92 0.00 0.00 175.35 175.30 3i3b s TYR 578 N -2.41 2.26 0.65 3.18 2.02 -1.26 -0.13 117.35 121.66 3i3b s TYR 578 Ca 0.18 -0.58 -0.09 0.00 -0.37 0.00 0.00 57.07 56.21 3i3b s TYR 578 Cb -0.04 -1.48 0.15 0.00 -0.40 0.00 0.00 41.96 40.19 3i3b s TYR 578 CO 0.07 -0.15 0.89 -0.40 -1.57 0.00 0.00 175.55 174.39 3i3b n ASP 579 N 2.80 0.30 -0.23 2.29 5.68 -0.80 -4.82 116.55 121.77 3i3b n ASP 579 Ca -0.17 -1.46 0.20 0.00 -0.50 0.00 0.00 54.79 52.86 3i3b n ASP 579 Cb 0.52 -0.66 0.53 0.00 -1.14 0.00 0.00 41.12 40.37 3i3b n ASP 579 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3i3b h GLU 580 N 0.00 0.36 0.00 0.11 4.11 -2.01 0.29 114.58 117.44 3i3b h GLU 580 Ca -0.29 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.12 3i3b h GLU 580 Cb 0.85 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3i3b h GLU 580 CO 0.23 0.24 0.00 0.09 0.07 0.00 0.00 179.01 179.64 3i3b n ASN 581 N -4.49 0.34 0.00 3.06 3.02 -1.26 -4.89 115.26 111.04 3i3b n ASN 581 Ca 0.19 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.28 3i3b n ASN 581 Cb 0.71 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 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 1.13 0.75 3.71 7.41 0.00 0.10 -5.04 105.19 113.26 3i3b n GLY 582 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.28 7.35 0.39 1.61 0.01 -1.26 -4.74 114.94 116.02 3i3b s ASN 583 Ca 0.00 1.64 -0.24 0.00 -0.71 0.00 0.00 52.86 53.55 3i3b s ASN 583 Cb 0.00 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 39.00 3i3b s ASN 583 CO 0.00 -0.29 1.04 -2.16 -1.51 0.00 0.00 177.10 174.18 3i3b s PRO 584 N 1.18 4.23 0.03 -0.60 0.04 -1.26 -1.90 135.00 136.73 3i3b s PRO 584 Ca 0.51 1.51 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 3i3b s PRO 584 Cb -0.21 -2.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.72 3i3b s PRO 584 CO 0.26 -0.08 0.06 1.67 0.04 0.00 0.00 177.00 178.95 3i3b s TRP 585 N -1.64 0.23 -0.19 0.56 1.48 0.81 -4.96 118.94 115.23 3i3b s TRP 585 Ca 0.56 -0.53 -0.25 0.00 -1.06 0.00 0.00 56.10 54.82 3i3b s TRP 585 Cb -0.22 -0.17 -0.01 0.00 -1.16 0.00 0.00 33.47 31.91 3i3b s TRP 585 CO 0.28 -0.32 0.82 -1.12 -4.06 0.00 0.00 176.95 172.55 3i3b s SER 586 N -2.00 6.90 0.23 -2.66 0.01 -1.26 -1.32 113.70 113.61 3i3b s SER 586 Ca -0.07 1.12 0.09 0.00 1.31 0.00 0.00 55.95 58.40 3i3b s SER 586 Cb -0.03 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 3i3b s SER 586 CO -0.04 -0.43 -0.05 0.00 0.41 0.00 0.00 173.24 173.14 3i3b s ALA 587 N 2.36 3.07 0.00 1.44 0.00 0.12 -4.90 121.76 123.84 3i3b s ALA 587 Ca 0.37 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3i3b s ALA 587 Cb -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.22 3i3b s ALA 587 CO 0.11 0.35 0.00 2.48 0.00 0.00 0.00 175.76 178.69 3i3b n TYR 588 N -0.52 0.00 -1.61 0.00 0.18 -1.26 -1.06 117.16 112.89 3i3b n TYR 588 Ca -0.08 0.00 -0.50 0.00 1.88 0.00 0.00 57.90 59.20 3i3b n TYR 588 Cb 0.58 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.49 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 1.63 0.59 1.32 -7.48 0.00 0.74 -2.13 105.19 99.86 3i3b n GLY 589 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 2.64 1.15 0.23 -0.02 0.00 -1.26 -3.92 105.19 104.01 3i3b n GLY 590 Ca 0.17 0.00 0.13 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 0.70 -0.19 1.61 8.00 -0.90 -3.36 116.55 122.40 3i3b n ASP 591 Ca 0.00 -1.34 0.06 0.00 0.71 0.00 0.00 54.79 54.22 3i3b n ASP 591 Cb 0.00 -0.02 0.10 0.00 -0.02 0.00 0.00 41.12 41.19 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 -0.41 0.15 -0.80 1.24 3.01 -1.26 -4.92 117.46 114.46 3i3b n PHE 592 Ca 0.19 -0.76 0.00 0.00 1.01 0.00 0.00 57.45 57.90 3i3b n PHE 592 Cb 0.21 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 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 -0.81 1.07 3.72 1.37 0.00 -1.21 -4.81 105.19 104.53 3i3b n GLY 593 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.06 6.69 -0.26 1.61 -4.77 -1.26 -5.01 116.67 110.61 3i3b s ASP 594 Ca 0.00 2.52 -0.26 0.00 -3.30 0.00 0.00 52.55 51.52 3i3b s ASP 594 Cb 0.00 -2.60 0.10 0.00 -1.09 0.00 0.00 42.92 39.34 3i3b s ASP 594 CO 0.00 -0.74 0.92 0.28 0.70 0.00 0.00 175.17 176.34 3i3b s THR 595 N 0.89 0.00 0.89 2.11 -1.32 -1.26 -4.16 115.64 112.79 3i3b s THR 595 Ca 0.66 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 61.03 3i3b s THR 595 Cb -0.41 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 69.71 3i3b s THR 595 CO 0.33 0.00 1.12 -2.84 -2.21 0.00 0.00 174.62 171.02 3i3b s PRO 596 N 0.12 1.23 0.12 7.08 0.02 -1.26 -5.15 135.00 137.17 3i3b s PRO 596 Ca 0.01 1.36 -0.12 0.00 0.02 0.00 0.00 61.00 62.28 3i3b s PRO 596 Cb -0.04 -1.77 0.01 0.00 0.02 0.00 0.00 34.50 32.72 3i3b s PRO 596 CO -0.03 -2.42 0.30 0.54 -0.33 0.00 0.00 177.00 175.06 3i3b s ASN 597 N -2.89 -0.03 -0.32 2.53 2.20 -1.26 -4.72 114.94 110.44 3i3b s ASN 597 Ca 0.65 -0.58 0.08 0.00 -0.94 0.00 0.00 52.86 52.06 3i3b s ASN 597 Cb -0.21 0.42 0.52 0.00 -2.00 0.00 0.00 41.25 39.98 3i3b s ASN 597 CO 0.58 -0.83 1.52 0.47 -2.94 0.00 0.00 177.10 175.90 3i3b n ASP 598 N -0.17 2.84 0.00 3.54 8.00 -0.68 -4.41 116.55 125.67 3i3b n ASP 598 Ca -0.13 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.59 3i3b n ASP 598 Cb 0.63 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.79 116.66 113.01 3i3b n ARG 599 Ca 0.38 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.56 3i3b n ARG 599 Cb 1.09 0.00 0.65 0.00 -1.02 0.00 0.00 32.46 33.18 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 12.03 0.92 0.00 5.56 0.00 -1.26 -0.18 117.38 134.44 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 -1.37 0.42 0.00 0.00 0.00 0.00 30.24 29.29 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 -0.87 0.00 1.46 2.61 -0.00 -0.74 -1.82 117.46 118.10 3i3b n PHE 601 Ca 0.16 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.75 3i3b n PHE 601 Cb 0.08 -0.16 0.51 0.00 -0.00 0.00 0.00 39.48 39.91 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 -2.15 2.05 -0.01 0.00 -1.94 -0.75 -1.13 119.30 115.37 3i3b s MET 603 Ca 0.35 -1.78 0.09 0.00 -1.71 0.00 0.00 55.69 52.64 3i3b s MET 603 Cb 0.21 -3.58 0.15 0.00 2.01 0.00 0.00 34.83 33.62 3i3b s MET 603 CO 0.39 -1.05 1.06 0.09 -0.01 0.00 0.00 175.02 175.50 3i3b n ASN 604 N 4.61 0.44 -4.89 3.03 5.03 -1.26 -4.18 115.26 118.04 3i3b n ASN 604 Ca -0.03 -2.08 -0.29 0.00 0.87 0.00 0.00 54.58 53.05 3i3b n ASN 604 Cb 0.41 -0.25 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 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 -1.43 1.57 0.39 7.41 0.00 -1.25 -1.03 107.32 112.98 3i3b s GLY 605 Ca 0.13 -0.34 0.21 0.00 0.00 0.00 0.00 44.72 44.72 3i3b s GLY 605 CO -0.05 -0.13 1.53 1.41 0.00 0.00 0.00 173.10 175.85 3i3b h LEU 606 N -0.02 0.00 -8.64 0.66 3.38 -0.42 -3.44 115.31 106.83 3i3b h LEU 606 Ca -0.46 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.03 3i3b h LEU 606 Cb 1.20 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.75 3i3b h LEU 606 CO 0.62 0.10 -0.79 0.68 0.09 0.00 0.00 178.44 179.13 3i3b s VAL 607 N -3.17 1.52 1.00 1.22 -7.23 -0.63 -0.29 120.40 112.82 3i3b s VAL 607 Ca 0.06 -1.63 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 3i3b s VAL 607 Cb 0.06 -1.52 0.19 0.00 0.56 0.00 0.00 36.38 35.66 3i3b s VAL 607 CO 0.69 -0.24 1.09 -0.36 -0.31 0.00 0.00 175.10 175.97 3i3b s PHE 608 N -1.63 2.07 0.50 2.82 0.08 0.77 -1.96 117.98 120.63 3i3b s PHE 608 Ca 0.07 1.05 0.20 0.00 0.12 0.00 0.00 56.93 58.38 3i3b s PHE 608 Cb -0.08 -3.23 1.25 0.00 -0.57 0.00 0.00 43.02 40.39 3i3b s PHE 608 CO 0.04 -2.90 2.03 0.00 -0.10 0.00 0.00 175.22 174.29 3i3b h ALA 609 N -1.90 2.23 -0.31 5.36 0.00 -1.89 0.13 119.26 122.89 3i3b h ALA 609 Ca -0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3i3b h ALA 609 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3i3b h ALA 609 CO 0.56 -0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.07 3i3b n ASP 610 N -4.44 1.72 -0.06 0.00 5.75 -1.26 -4.50 116.55 113.76 3i3b n ASP 610 Ca 0.07 -1.97 -0.01 0.00 -0.01 0.00 0.00 54.79 52.87 3i3b n ASP 610 Cb 0.41 -0.21 -0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3i3b n ASP 610 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i3b n ARG 611 N 0.43 -0.22 -2.51 0.11 3.00 0.47 -5.03 116.66 112.91 3i3b n ARG 611 Ca 0.11 0.22 -0.42 0.00 -0.01 0.00 0.00 57.85 57.75 3i3b n ARG 611 Cb 0.28 -3.52 -0.03 0.00 0.00 0.00 0.00 32.46 29.18 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 -1.94 4.21 0.65 0.55 2.01 -1.26 -4.72 115.64 115.14 3i3b s THR 612 Ca 0.00 1.63 -0.18 0.00 0.31 0.00 0.00 61.69 63.45 3i3b s THR 612 Cb 0.00 -4.04 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 3i3b s THR 612 CO 0.00 0.15 1.28 -2.84 -0.69 0.00 0.00 174.62 172.53 3i3b s PRO 613 N 0.80 2.57 0.23 4.92 0.02 -1.26 -0.16 135.00 142.12 3i3b s PRO 613 Ca 0.55 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.62 3i3b s PRO 613 Cb -0.27 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 3i3b s PRO 613 CO 0.30 -1.58 0.40 -1.01 -0.33 0.00 0.00 177.00 174.78 3i3b s HIS 614 N -1.44 3.48 0.49 6.54 3.76 0.60 -4.73 115.29 124.00 3i3b s HIS 614 Ca 0.82 0.23 0.23 0.00 -0.15 0.00 0.00 55.06 56.19 3i3b s HIS 614 Cb -0.37 -1.77 1.27 0.00 1.11 0.00 0.00 32.58 32.83 3i3b s HIS 614 CO 0.39 0.37 1.92 -1.35 -0.85 0.00 0.00 174.74 175.22 3i3b h PRO 615 N 1.62 0.17 -0.03 8.40 0.11 -1.93 -1.79 132.00 138.55 3i3b h PRO 615 Ca -0.49 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.62 3i3b h PRO 615 Cb 1.20 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i3b h PRO 615 CO 0.65 0.12 0.03 0.00 -0.21 0.00 0.00 178.00 178.59 3i3b h ALA 616 N 1.64 1.59 -0.67 -0.75 0.00 -1.85 -2.83 119.26 116.40 3i3b h ALA 616 Ca 0.36 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.32 3i3b h ALA 616 Cb 1.17 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 3i3b h ALA 616 CO -0.07 -0.05 0.39 1.25 0.00 0.00 0.00 179.25 180.78 3i3b h LEU 617 N 0.00 0.60 -1.25 0.00 5.85 -1.50 -2.01 115.31 117.00 3i3b h LEU 617 Ca 0.01 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3i3b h LEU 617 Cb 0.08 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3i3b h LEU 617 CO -0.00 0.40 0.15 0.00 -0.34 0.00 0.00 178.44 178.65 3i3b h THR 618 N 0.73 1.19 -0.68 1.05 1.03 -1.70 -0.67 112.91 113.86 3i3b h THR 618 Ca 0.29 -0.63 -0.08 0.00 -0.01 0.00 0.00 66.41 65.98 3i3b h THR 618 Cb 0.12 0.68 -0.03 0.00 -1.07 0.00 0.00 68.15 67.85 3i3b h THR 618 CO -0.15 0.24 0.12 -0.08 -0.01 0.00 0.00 175.52 175.63 3i3b h GLU 619 N 0.66 1.13 -0.21 0.00 4.57 -1.50 -1.80 114.58 117.43 3i3b h GLU 619 Ca 0.16 -0.30 -0.03 0.00 -1.18 0.00 0.00 59.36 58.01 3i3b h GLU 619 Cb 0.19 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 3i3b h GLU 619 CO -0.01 1.03 0.01 0.00 -1.18 0.00 0.00 179.01 178.86 3i3b h ALA 620 N 1.06 0.28 -0.40 2.92 0.00 -0.94 -1.84 119.26 120.34 3i3b h ALA 620 Ca 0.21 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3i3b h ALA 620 Cb 0.44 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 3i3b h ALA 620 CO 0.01 -0.02 -0.04 -0.22 0.00 0.00 0.00 179.25 178.98 3i3b h LYS 621 N 0.13 0.05 0.02 0.00 3.64 -0.90 -0.44 116.57 119.07 3i3b h LYS 621 Ca 0.06 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3i3b h LYS 621 Cb 0.37 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3i3b h LYS 621 CO 0.01 0.04 -0.01 1.25 -2.27 0.00 0.00 179.45 178.47 3i3b h HIS 622 N 0.06 -0.02 -0.05 1.91 2.76 -1.26 -2.87 115.15 115.68 3i3b h HIS 622 Ca 0.20 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.32 3i3b h HIS 622 Cb 0.29 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 3i3b h HIS 622 CO -0.31 0.06 -0.19 1.96 -1.30 0.00 0.00 177.93 178.16 3i3b h GLN 623 N -0.10 0.07 -0.61 5.26 1.08 -1.03 -2.64 115.11 117.15 3i3b h GLN 623 Ca -0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3i3b h GLN 623 Cb 0.09 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3i3b h GLN 623 CO 0.00 0.27 0.00 1.04 -0.95 0.00 0.00 178.83 179.19 3i3b n GLN 624 N -4.28 2.51 -1.70 1.46 6.02 -0.20 -4.97 117.38 116.22 3i3b n GLN 624 Ca -0.02 -1.50 -0.39 0.00 -0.01 0.00 0.00 57.00 55.07 3i3b n GLN 624 Cb 0.27 -1.63 0.03 0.00 1.02 0.00 0.00 30.24 29.93 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 0.45 1.65 0.00 -1.09 6.02 -1.00 -4.84 117.38 118.58 3i3b n GLN 625 Ca 0.14 0.60 0.14 0.00 -0.01 0.00 0.00 57.00 57.86 3i3b n GLN 625 Cb 0.56 -2.42 0.46 0.00 1.02 0.00 0.00 30.24 29.85 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 -0.81 0.00 -4.91 1.08 3.01 -1.26 -4.82 117.46 109.75 3i3b n PHE 626 Ca 0.09 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.28 3i3b n PHE 626 Cb 0.43 -0.02 -0.16 0.00 -0.01 0.00 0.00 39.48 39.72 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 -2.09 1.88 0.14 1.38 0.08 -1.26 0.18 117.98 118.28 3i3b s PHE 627 Ca 0.35 -0.59 0.09 0.00 0.12 0.00 0.00 56.93 56.89 3i3b s PHE 627 Cb 0.21 -1.27 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 3i3b s PHE 627 CO 0.37 -0.22 -0.13 -0.65 -0.10 0.00 0.00 175.22 174.49 3i3b s GLN 628 N 0.12 1.96 0.05 0.44 -1.52 -0.27 -4.93 119.66 115.53 3i3b s GLN 628 Ca -0.07 -1.18 0.03 0.00 -1.95 0.00 0.00 55.36 52.19 3i3b s GLN 628 Cb -0.13 -2.17 -0.03 0.00 -0.22 0.00 0.00 33.01 30.46 3i3b s GLN 628 CO 0.03 0.47 -0.09 -0.06 -0.25 0.00 0.00 175.29 175.39 3i3b s PHE 629 N -1.39 0.81 -0.00 0.91 0.08 -1.26 -0.74 117.98 116.39 3i3b s PHE 629 Ca 0.21 -0.52 0.00 0.00 0.12 0.00 0.00 56.93 56.75 3i3b s PHE 629 Cb -0.10 -0.47 0.00 0.00 -0.57 0.00 0.00 43.02 41.88 3i3b s PHE 629 CO 0.13 -0.05 -0.01 1.03 -0.10 0.00 0.00 175.22 176.22 3i3b s ARG 630 N -1.76 0.06 -0.13 0.44 0.52 -0.76 -4.97 118.95 112.35 3i3b s ARG 630 Ca -0.07 -0.01 -0.02 0.00 -0.52 0.00 0.00 55.73 55.11 3i3b s ARG 630 Cb -0.09 -0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.28 3i3b s ARG 630 CO 0.01 0.00 -0.05 -1.17 0.02 0.00 0.00 175.30 174.11 3i3b s LEU 631 N 0.05 3.20 -0.19 2.53 2.96 -1.26 -0.67 118.68 125.30 3i3b s LEU 631 Ca -0.00 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.76 3i3b s LEU 631 Cb -0.01 -1.75 0.08 0.00 0.50 0.00 0.00 46.19 45.01 3i3b s LEU 631 CO -0.00 0.22 0.16 -0.55 -1.32 0.00 0.00 176.35 174.86 3i3b s SER 632 N 0.02 1.88 1.88 3.68 0.15 -0.23 -5.02 113.70 116.06 3i3b s SER 632 Ca -0.00 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.21 3i3b s SER 632 Cb -0.13 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 3i3b s SER 632 CO 0.03 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.74 3i3b n GLY 633 N 5.30 3.22 0.86 9.45 0.00 -1.26 -0.25 105.19 122.52 3i3b n GLY 633 Ca -0.06 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 9.18 2.05 -3.63 1.61 1.13 -1.26 -4.95 117.38 121.51 3i3b n GLN 634 Ca 0.00 -1.92 -0.37 0.00 -1.94 0.00 0.00 57.00 52.77 3i3b n GLN 634 Cb 0.00 -1.39 -0.10 0.00 0.11 0.00 0.00 30.24 28.86 3i3b n GLN 634 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3i3b s THR 635 N -1.30 5.34 -0.26 5.09 2.01 0.66 -0.02 115.64 127.16 3i3b s THR 635 Ca 0.28 0.18 -0.11 0.00 0.31 0.00 0.00 61.69 62.36 3i3b s THR 635 Cb 0.17 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 3i3b s THR 635 CO 0.24 0.31 0.17 -0.63 -0.69 0.00 0.00 174.62 174.02 3i3b s ILE 636 N 1.34 5.26 -0.26 1.82 1.01 0.03 -1.07 121.20 129.32 3i3b s ILE 636 Ca 0.07 0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 3i3b s ILE 636 Cb -0.14 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 3i3b s ILE 636 CO 0.07 0.29 0.17 -0.70 0.00 0.00 0.00 174.94 174.77 3i3b s GLU 637 N 1.49 3.98 -0.21 2.79 2.12 0.15 -0.63 118.70 128.40 3i3b s GLU 637 Ca 0.07 -0.31 -0.05 0.00 0.36 0.00 0.00 54.97 55.05 3i3b s GLU 637 Cb -0.15 -3.59 -0.02 0.00 0.26 0.00 0.00 34.13 30.63 3i3b s GLU 637 CO 0.08 -0.08 -0.01 0.08 -0.54 0.00 0.00 175.26 174.79 3i3b s VAL 638 N 1.45 3.76 -0.12 3.70 1.01 0.50 -1.83 120.40 128.87 3i3b s VAL 638 Ca 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3i3b s VAL 638 Cb -0.15 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 3i3b s VAL 638 CO 0.08 0.42 -0.09 -0.89 0.00 0.00 0.00 175.10 174.62 3i3b s THR 639 N 1.15 3.44 -0.05 3.92 2.01 0.08 -0.43 115.64 125.76 3i3b s THR 639 Ca 0.02 -0.54 -0.19 0.00 0.31 0.00 0.00 61.69 61.30 3i3b s THR 639 Cb -0.14 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 3i3b s THR 639 CO 0.01 0.53 0.52 -0.55 -0.69 0.00 0.00 174.62 174.44 3i3b s SER 640 N 0.03 6.84 0.00 3.53 0.15 0.25 -1.11 113.70 123.39 3i3b s SER 640 Ca -0.02 1.00 0.19 0.00 0.70 0.00 0.00 55.95 57.81 3i3b s SER 640 Cb -0.14 -2.32 0.43 0.00 -1.71 0.00 0.00 66.02 62.28 3i3b s SER 640 CO 0.04 0.10 1.35 -0.62 1.20 0.00 0.00 173.24 175.31 3i3b n GLU 641 N 2.93 2.47 -2.51 5.44 1.02 0.13 -2.43 120.64 127.68 3i3b n GLU 641 Ca -0.08 -2.24 -0.36 0.00 -0.02 0.00 0.00 57.16 54.46 3i3b n GLU 641 Cb 0.51 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.45 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 -1.19 3.19 -0.09 -0.32 2.02 -1.26 -4.84 117.35 114.86 3i3b s TYR 642 Ca 0.36 1.62 0.20 0.00 -0.37 0.00 0.00 57.07 58.88 3i3b s TYR 642 Cb 0.20 -3.14 -0.30 0.00 -0.40 0.00 0.00 41.96 38.32 3i3b s TYR 642 CO 0.27 -0.75 0.32 1.28 -1.57 0.00 0.00 175.55 175.10 3i3b n LEU 643 N -0.25 0.00 0.00 -1.29 4.77 -1.26 -1.81 117.00 117.17 3i3b n LEU 643 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3i3b n LEU 643 Cb 0.50 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 3i3b n LEU 643 CO 0.44 0.18 -0.46 0.49 -1.33 0.00 0.00 177.39 176.72 3i3b n PHE 644 N -2.42 0.00 -3.99 -1.77 3.72 -1.26 -4.84 117.46 106.90 3i3b n PHE 644 Ca -0.14 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.95 3i3b n PHE 644 Cb 0.77 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.26 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 -1.91 3.17 0.52 -1.08 1.70 -1.26 -4.81 118.95 115.27 3i3b s ARG 645 Ca 0.00 -0.54 -0.06 0.00 -0.47 0.00 0.00 55.73 54.66 3i3b s ARG 645 Cb 0.00 -2.90 -0.03 0.00 -0.57 0.00 0.00 34.95 31.45 3i3b s ARG 645 CO 0.00 0.60 0.84 -1.01 -1.08 0.00 0.00 175.30 174.65 3i3b s HIS 646 N -1.42 3.52 -1.38 5.89 3.76 -1.26 -3.46 115.29 120.95 3i3b s HIS 646 Ca 0.31 0.85 -0.16 0.00 -0.15 0.00 0.00 55.06 55.91 3i3b s HIS 646 Cb -0.13 -2.42 0.05 0.00 1.11 0.00 0.00 32.58 31.19 3i3b s HIS 646 CO 0.24 -0.42 2.02 -1.13 -0.85 0.00 0.00 174.74 174.60 3i3b n SER 647 N -2.37 4.26 -1.14 1.40 3.41 -0.58 -4.70 113.62 113.89 3i3b n SER 647 Ca 0.02 -2.87 0.05 0.00 -0.26 0.00 0.00 58.87 55.82 3i3b n SER 647 Cb 0.55 -1.68 0.23 0.00 -0.26 0.00 0.00 64.21 63.05 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 7.18 3.29 -2.71 4.04 5.75 -1.26 -3.99 116.55 128.85 3i3b n ASP 648 Ca 0.51 -2.34 -0.08 0.00 -0.01 0.00 0.00 54.79 52.87 3i3b n ASP 648 Cb 0.42 -0.49 0.09 0.00 -1.03 0.00 0.00 41.12 40.11 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 0.55 -1.17 -3.76 -1.12 5.15 -1.26 -5.05 115.26 108.60 3i3b n ASN 649 Ca 0.16 -2.63 -0.13 0.00 -0.60 0.00 0.00 54.58 51.39 3i3b n ASN 649 Cb 0.65 0.72 -0.11 0.00 -0.53 0.00 0.00 39.78 40.51 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 -0.56 0.37 0.00 1.20 8.01 -1.26 -4.15 118.70 122.31 3i3b s GLU 650 Ca 0.24 0.46 0.00 0.00 0.01 0.00 0.00 54.97 55.67 3i3b s GLU 650 Cb 0.40 0.18 -0.00 0.00 -4.31 0.00 0.00 34.13 30.40 3i3b s GLU 650 CO -0.06 -0.05 -0.01 -0.48 0.01 0.00 0.00 175.26 174.67 3i3b s LEU 651 N 0.21 2.01 -0.13 1.80 0.05 -0.26 -1.73 118.68 120.62 3i3b s LEU 651 Ca -0.00 -0.04 -0.15 0.00 0.05 0.00 0.00 54.13 53.99 3i3b s LEU 651 Cb -0.02 -0.05 -0.05 0.00 -2.05 0.00 0.00 46.19 44.02 3i3b s LEU 651 CO 0.00 -0.00 0.34 -0.22 -0.55 0.00 0.00 176.35 175.92 3i3b s LEU 652 N -0.09 4.29 -0.12 1.48 2.96 0.31 -1.21 118.68 126.29 3i3b s LEU 652 Ca -0.00 0.63 -0.00 0.00 -0.22 0.00 0.00 54.13 54.53 3i3b s LEU 652 Cb -0.01 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.21 3i3b s LEU 652 CO -0.00 0.12 -0.11 -2.28 -1.32 0.00 0.00 176.35 172.77 3i3b s HIS 653 N 0.24 2.86 0.18 5.38 5.65 -0.04 -1.20 115.29 128.36 3i3b s HIS 653 Ca 0.19 -0.45 0.11 0.00 0.25 0.00 0.00 55.06 55.16 3i3b s HIS 653 Cb -0.14 -1.84 -0.04 0.00 -1.18 0.00 0.00 32.58 29.38 3i3b s HIS 653 CO 0.06 -0.08 -0.24 1.67 -0.65 0.00 0.00 174.74 175.51 3i3b s TRP 654 N 0.14 2.22 -0.15 3.88 1.48 -0.51 -0.97 118.94 125.03 3i3b s TRP 654 Ca -0.05 -0.38 -0.11 0.00 -1.06 0.00 0.00 56.10 54.50 3i3b s TRP 654 Cb -0.15 -1.12 0.05 0.00 -1.16 0.00 0.00 33.47 31.09 3i3b s TRP 654 CO 0.04 0.44 0.38 1.41 -4.06 0.00 0.00 176.95 175.17 3i3b s MET 655 N -2.55 0.41 -0.14 3.25 1.75 -0.30 -2.00 119.30 119.71 3i3b s MET 655 Ca 0.18 0.64 0.02 0.00 -1.25 0.00 0.00 55.69 55.29 3i3b s MET 655 Cb -0.08 0.09 0.01 0.00 2.84 0.00 0.00 34.83 37.69 3i3b s MET 655 CO 0.09 -0.11 -0.21 0.08 -0.65 0.00 0.00 175.02 174.21 3i3b s VAL 656 N 0.79 2.12 0.04 10.11 1.01 0.07 -0.88 120.40 133.66 3i3b s VAL 656 Ca -0.05 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.00 3i3b s VAL 656 Cb -0.06 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 3i3b s VAL 656 CO -0.06 0.55 -0.10 0.00 0.00 0.00 0.00 175.10 175.49 3i3b s ALA 657 N 0.78 0.76 -0.41 5.51 0.00 -0.56 -0.16 121.76 127.68 3i3b s ALA 657 Ca -0.08 -0.76 -0.13 0.00 0.00 0.00 0.00 51.96 50.99 3i3b s ALA 657 Cb -0.16 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 22.97 3i3b s ALA 657 CO -0.01 0.07 0.28 -1.17 0.00 0.00 0.00 175.76 174.93 3i3b s LEU 658 N -1.39 5.08 -1.38 0.00 2.96 0.10 -0.40 118.68 123.64 3i3b s LEU 658 Ca -0.05 -1.05 -0.10 0.00 -0.22 0.00 0.00 54.13 52.70 3i3b s LEU 658 Cb -0.09 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.50 3i3b s LEU 658 CO 0.01 -0.47 0.38 0.47 -1.32 0.00 0.00 176.35 175.42 3i3b n ASP 659 N 5.10 -1.34 0.00 3.68 8.00 -0.82 -1.14 116.55 130.03 3i3b n ASP 659 Ca -0.11 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.22 3i3b n ASP 659 Cb 0.46 -2.31 0.00 0.00 -0.02 0.00 0.00 41.12 39.25 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 -2.17 3.08 3.62 0.44 0.00 -1.26 -4.85 105.19 104.05 3i3b n GLY 660 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.34 4.02 0.24 1.61 1.02 -0.29 -4.71 119.74 121.29 3i3b s LYS 661 Ca 0.00 0.64 -0.31 0.00 0.02 0.00 0.00 55.97 56.32 3i3b s LYS 661 Cb 0.00 -3.71 -0.11 0.00 -0.52 0.00 0.00 37.83 33.50 3i3b s LYS 661 CO 0.00 -0.62 1.58 -2.14 -0.92 0.00 0.00 175.35 173.25 3i3b s PRO 662 N 2.88 4.17 -0.05 -1.68 0.02 -1.26 0.00 135.00 139.08 3i3b s PRO 662 Ca 0.32 2.49 -0.00 0.00 0.02 0.00 0.00 61.00 63.82 3i3b s PRO 662 Cb -0.14 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.27 3i3b s PRO 662 CO 0.11 -0.61 -0.05 1.28 -0.33 0.00 0.00 177.00 177.40 3i3b n LEU 663 N 2.94 2.53 -3.71 -5.54 7.99 0.77 -4.89 117.00 117.09 3i3b n LEU 663 Ca 0.11 -0.01 -0.11 0.00 -0.01 0.00 0.00 56.01 55.99 3i3b n LEU 663 Cb 0.38 -0.18 -0.06 0.00 -0.11 0.00 0.00 43.42 43.45 3i3b n LEU 663 CO 0.63 0.50 0.08 0.00 -1.51 0.00 0.00 177.39 177.09 3i3b s ALA 664 N -2.10 -0.75 0.18 -1.18 0.00 -1.08 -5.02 121.76 111.81 3i3b s ALA 664 Ca -0.07 -0.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.54 3i3b s ALA 664 Cb 0.02 0.53 0.05 0.00 0.00 0.00 0.00 23.12 23.73 3i3b s ALA 664 CO 0.12 -0.55 0.79 -1.54 0.00 0.00 0.00 175.76 174.58 3i3b s SER 665 N -2.57 -0.31 -0.04 0.00 1.04 -1.26 -0.75 113.70 109.80 3i3b s SER 665 Ca 0.01 -0.34 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 3i3b s SER 665 Cb 0.02 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.77 3i3b s SER 665 CO -0.09 -1.03 0.68 0.61 0.98 0.00 0.00 173.24 174.39 3i3b n GLY 666 N -0.42 0.27 3.52 7.32 0.00 -0.85 -5.00 105.19 110.03 3i3b n GLY 666 Ca -0.08 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.00 0.73 -0.03 1.61 -1.05 -1.26 -1.42 118.70 115.29 3i3b s GLU 667 Ca 0.16 0.82 0.03 0.00 -0.15 0.00 0.00 54.97 55.83 3i3b s GLU 667 Cb -0.00 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 3i3b s GLU 667 CO -0.01 -0.10 -0.10 0.08 0.95 0.00 0.00 175.26 176.08 3i3b s VAL 668 N 0.24 0.85 0.43 1.83 1.01 -0.34 -4.97 120.40 119.45 3i3b s VAL 668 Ca -0.01 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 3i3b s VAL 668 Cb -0.04 -0.75 -0.08 0.00 0.00 0.00 0.00 36.38 35.50 3i3b s VAL 668 CO 0.01 0.26 1.32 -2.84 0.00 0.00 0.00 175.10 173.86 3i3b s PRO 669 N 0.18 3.81 -0.02 2.72 0.02 -1.26 -0.53 135.00 139.92 3i3b s PRO 669 Ca -0.03 2.19 -0.18 0.00 0.02 0.00 0.00 61.00 62.99 3i3b s PRO 669 Cb -0.09 -2.66 -0.05 0.00 0.02 0.00 0.00 34.50 31.72 3i3b s PRO 669 CO 0.01 -0.63 0.50 -0.51 -0.33 0.00 0.00 177.00 176.03 3i3b s LEU 670 N -2.65 4.41 -0.41 -5.54 1.43 -0.71 -4.77 118.68 110.45 3i3b s LEU 670 Ca 0.60 1.02 0.07 0.00 -1.03 0.00 0.00 54.13 54.78 3i3b s LEU 670 Cb -0.39 -2.74 0.22 0.00 0.03 0.00 0.00 46.19 43.31 3i3b s LEU 670 CO 0.49 0.17 0.53 -0.67 0.23 0.00 0.00 176.35 177.10 3i3b n ASP 671 N 2.53 -0.57 -4.27 2.29 2.03 -1.26 -4.73 116.55 112.58 3i3b n ASP 671 Ca -0.10 -2.69 -0.32 0.00 0.52 0.00 0.00 54.79 52.21 3i3b n ASP 671 Cb 0.52 -0.20 -0.16 0.00 -0.72 0.00 0.00 41.12 40.55 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 -0.52 2.18 0.60 5.18 0.11 -1.26 -4.90 120.40 121.78 3i3b s VAL 672 Ca 0.34 -1.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.26 3i3b s VAL 672 Cb 0.13 -1.82 -0.05 0.00 -1.53 0.00 0.00 36.38 33.12 3i3b s VAL 672 CO -0.15 0.56 1.02 0.00 -3.33 0.00 0.00 175.10 173.21 3i3b s ALA 673 N 0.05 3.07 0.17 1.54 0.00 -1.26 -1.53 121.76 123.79 3i3b s ALA 673 Ca -0.09 -0.01 -0.33 0.00 0.00 0.00 0.00 51.96 51.52 3i3b s ALA 673 Cb -0.15 -3.10 -0.15 0.00 0.00 0.00 0.00 23.12 19.72 3i3b s ALA 673 CO 0.06 -0.60 1.33 -0.35 0.00 0.00 0.00 175.76 176.19 3i3b n PRO 674 N -2.46 1.52 -0.74 0.00 -0.04 -1.22 0.35 135.00 132.41 3i3b n PRO 674 Ca 0.06 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 3i3b n PRO 674 Cb 0.54 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 2.25 0.00 -2.12 0.54 1.13 -0.75 -4.94 117.38 113.49 3i3b n GLN 675 Ca 0.15 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.97 3i3b n GLN 675 Cb 0.26 -3.32 0.15 0.00 0.11 0.00 0.00 30.24 27.44 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 -2.00 -0.33 3.15 1.08 0.00 0.16 -4.69 105.19 102.56 3i3b n GLY 676 Ca 0.00 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.00 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 -5.27 0.78 -0.00 1.61 1.02 -1.26 -0.58 119.74 116.03 3i3b s LYS 677 Ca 0.65 -1.07 0.01 0.00 0.02 0.00 0.00 55.97 55.59 3i3b s LYS 677 Cb -0.03 -0.49 -0.00 0.00 -0.52 0.00 0.00 37.83 36.79 3i3b s LYS 677 CO 0.45 0.08 -0.03 -1.14 -0.92 0.00 0.00 175.35 173.79 3i3b s GLN 678 N -2.50 0.22 -0.20 1.68 0.74 0.43 -4.89 119.66 115.15 3i3b s GLN 678 Ca 0.02 -0.09 -0.05 0.00 0.05 0.00 0.00 55.36 55.28 3i3b s GLN 678 Cb -0.05 -0.22 -0.03 0.00 1.10 0.00 0.00 33.01 33.82 3i3b s GLN 678 CO -0.00 0.05 0.01 -0.51 -0.55 0.00 0.00 175.29 174.29 3i3b s LEU 679 N -0.03 3.31 -0.25 3.68 1.43 -1.26 -0.37 118.68 125.19 3i3b s LEU 679 Ca 0.01 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3i3b s LEU 679 Cb -0.01 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.41 3i3b s LEU 679 CO -0.00 0.07 -0.11 -0.63 0.23 0.00 0.00 176.35 175.92 3i3b s ILE 680 N 0.95 2.35 -0.18 -0.59 1.01 0.20 -4.96 121.20 119.99 3i3b s ILE 680 Ca 0.02 -1.40 -0.25 0.00 0.00 0.00 0.00 60.65 59.01 3i3b s ILE 680 Cb -0.14 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 3i3b s ILE 680 CO 0.02 0.09 0.84 -0.70 0.00 0.00 0.00 174.94 175.19 3i3b s GLU 681 N 1.18 4.29 0.28 2.79 2.56 -1.26 -0.79 118.70 127.74 3i3b s GLU 681 Ca -0.05 1.03 -0.25 0.00 0.00 0.00 0.00 54.97 55.69 3i3b s GLU 681 Cb -0.18 -3.58 -0.09 0.00 2.00 0.00 0.00 34.13 32.27 3i3b s GLU 681 CO -0.06 -0.36 0.89 -0.51 -0.56 0.00 0.00 175.26 174.66 3i3b s LEU 682 N 2.25 4.41 0.87 2.70 1.43 0.97 -5.00 118.68 126.31 3i3b s LEU 682 Ca 0.38 1.76 -0.10 0.00 -1.03 0.00 0.00 54.13 55.14 3i3b s LEU 682 Cb -0.16 -3.80 0.12 0.00 0.03 0.00 0.00 46.19 42.37 3i3b s LEU 682 CO 0.12 0.01 1.13 -2.84 0.23 0.00 0.00 176.35 175.01 3i3b s PRO 683 N -1.82 1.38 0.20 1.29 0.02 -1.26 -4.91 135.00 129.89 3i3b s PRO 683 Ca 0.46 1.46 -0.31 0.00 0.02 0.00 0.00 61.00 62.63 3i3b s PRO 683 Cb -0.20 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.44 3i3b s PRO 683 CO 0.25 -2.35 1.55 -2.00 -0.33 0.00 0.00 177.00 174.12 3i3b s GLU 684 N -4.69 4.21 -0.14 5.54 -6.30 -1.26 -4.99 118.70 111.08 3i3b s GLU 684 Ca 0.66 2.38 -0.02 0.00 -2.50 0.00 0.00 54.97 55.48 3i3b s GLU 684 Cb -0.22 -3.13 -0.02 0.00 0.00 0.00 0.00 34.13 30.76 3i3b s GLU 684 CO 0.57 -0.58 -0.06 -0.51 0.02 0.00 0.00 175.26 174.70 3i3b s LEU 685 N 0.68 3.11 -0.01 2.70 1.43 -1.26 -5.07 118.68 120.26 3i3b s LEU 685 Ca 0.67 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.31 3i3b s LEU 685 Cb -0.44 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 43.98 3i3b s LEU 685 CO 0.35 0.19 1.79 -2.16 0.23 0.00 0.00 176.35 176.76 3i3b s PRO 686 N 0.21 4.16 0.29 1.29 0.04 -1.26 -4.92 135.00 134.82 3i3b s PRO 686 Ca -0.04 2.38 -0.29 0.00 0.04 0.00 0.00 61.00 63.09 3i3b s PRO 686 Cb -0.14 -4.06 -0.13 0.00 0.04 0.00 0.00 34.50 30.21 3i3b s PRO 686 CO 0.03 -0.89 1.27 1.04 0.04 0.00 0.00 177.00 178.49 3i3b n GLN 687 N 7.28 1.92 -1.26 4.56 3.00 -1.26 -4.93 117.38 126.69 3i3b n GLN 687 Ca 0.18 0.68 -0.33 0.00 -0.01 0.00 0.00 57.00 57.52 3i3b n GLN 687 Cb 0.42 -2.24 0.11 0.00 0.00 0.00 0.00 30.24 28.52 3i3b n GLN 687 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3i3b s PRO 688 N -1.27 1.96 0.00 -1.09 0.04 -1.26 -5.02 135.00 128.35 3i3b s PRO 688 Ca 0.61 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3i3b s PRO 688 Cb -0.63 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.08 3i3b s PRO 688 CO 0.57 -1.94 0.00 0.39 0.04 0.00 0.00 177.00 176.07 3i3b n GLU 689 N -3.17 0.00 -0.62 4.56 -0.58 -1.26 -4.96 120.64 114.61 3i3b n GLU 689 Ca 0.12 0.36 -0.29 0.00 -0.42 0.00 0.00 57.16 56.93 3i3b n GLU 689 Cb 0.51 -0.85 0.22 0.00 -0.57 0.00 0.00 31.44 30.75 3i3b n GLU 689 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3i3b s SER 690 N -2.94 1.65 0.85 1.62 1.04 -1.26 -5.00 113.70 109.66 3i3b s SER 690 Ca 0.00 1.72 -0.12 0.00 0.48 0.00 0.00 55.95 58.03 3i3b s SER 690 Cb 0.00 -2.38 0.10 0.00 0.10 0.00 0.00 66.02 63.85 3i3b s SER 690 CO 0.00 -3.82 1.10 0.00 0.98 0.00 0.00 173.24 171.50 3i3b s ALA 691 N -2.54 1.90 0.00 5.32 0.00 -1.26 -4.91 121.76 120.27 3i3b s ALA 691 Ca 0.68 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.47 3i3b s ALA 691 Cb -0.24 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3i3b s ALA 691 CO 0.62 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.74 3i3b n GLY 692 N -1.68 1.42 3.58 0.00 0.00 -0.00 -4.94 105.19 103.57 3i3b n GLY 692 Ca 0.07 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.20 3.86 0.18 1.61 2.00 -1.26 -0.68 119.66 124.17 3i3b s GLN 693 Ca 0.00 -0.40 -0.24 0.00 -2.00 0.00 0.00 55.36 52.72 3i3b s GLN 693 Cb 0.00 -3.18 -0.08 0.00 0.80 0.00 0.00 33.01 30.54 3i3b s GLN 693 CO 0.00 0.18 0.76 -0.51 -0.50 0.00 0.00 175.29 175.22 3i3b s LEU 694 N 0.61 4.52 -0.04 3.68 1.43 0.05 -1.94 118.68 126.99 3i3b s LEU 694 Ca 0.02 1.58 0.03 0.00 -1.03 0.00 0.00 54.13 54.73 3i3b s LEU 694 Cb -0.13 -3.37 0.01 0.00 0.03 0.00 0.00 46.19 42.72 3i3b s LEU 694 CO 0.02 0.16 -0.11 0.26 0.23 0.00 0.00 176.35 176.90 3i3b s TRP 695 N -1.26 1.21 -0.18 0.29 0.52 0.46 -0.95 118.94 119.03 3i3b s TRP 695 Ca 0.38 -0.35 -0.07 0.00 0.02 0.00 0.00 56.10 56.08 3i3b s TRP 695 Cb -0.21 -0.86 -0.04 0.00 -1.15 0.00 0.00 33.47 31.21 3i3b s TRP 695 CO 0.24 -0.16 0.05 -1.17 0.02 0.00 0.00 176.95 175.94 3i3b s LEU 696 N 0.31 3.75 -0.11 2.99 2.96 -0.22 -1.50 118.68 126.86 3i3b s LEU 696 Ca -0.06 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 3i3b s LEU 696 Cb -0.11 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.66 3i3b s LEU 696 CO 0.01 0.17 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.27 3i3b s THR 697 N 0.38 0.84 0.15 3.68 2.01 -0.06 -1.13 115.64 121.51 3i3b s THR 697 Ca 0.02 -0.19 0.09 0.00 0.31 0.00 0.00 61.69 61.92 3i3b s THR 697 Cb -0.13 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 3i3b s THR 697 CO 0.00 0.32 -0.14 0.68 -0.69 0.00 0.00 174.62 174.79 3i3b s VAL 698 N 1.78 3.00 -0.09 3.82 -7.23 -0.11 -1.15 120.40 120.43 3i3b s VAL 698 Ca 0.05 -1.60 -0.19 0.00 -1.81 0.00 0.00 61.98 58.42 3i3b s VAL 698 Cb -0.13 -2.43 0.04 0.00 0.56 0.00 0.00 36.38 34.42 3i3b s VAL 698 CO -0.07 -0.01 0.46 0.00 -0.31 0.00 0.00 175.10 175.16 3i3b s ARG 699 N -2.50 0.71 -0.20 4.82 1.70 -0.14 -1.14 118.95 122.20 3i3b s ARG 699 Ca 0.22 0.24 -0.15 0.00 -0.47 0.00 0.00 55.73 55.57 3i3b s ARG 699 Cb -0.10 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 3i3b s ARG 699 CO 0.13 -0.17 0.35 0.08 -1.08 0.00 0.00 175.30 174.61 3i3b s VAL 700 N -0.68 5.24 -0.05 4.99 1.01 0.22 -0.86 120.40 130.27 3i3b s VAL 700 Ca -0.08 0.60 0.05 0.00 0.00 0.00 0.00 61.98 62.55 3i3b s VAL 700 Cb -0.03 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3i3b s VAL 700 CO 0.04 0.28 -0.19 -0.69 0.00 0.00 0.00 175.10 174.55 3i3b s VAL 701 N 1.18 2.67 -0.39 2.92 1.01 -0.35 -1.65 120.40 125.80 3i3b s VAL 701 Ca 0.17 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 3i3b s VAL 701 Cb -0.14 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.22 3i3b s VAL 701 CO 0.07 0.58 0.34 -1.10 0.00 0.00 0.00 175.10 174.99 3i3b s GLN 702 N -0.51 3.22 0.30 2.72 -0.21 -0.09 -1.11 119.66 123.99 3i3b s GLN 702 Ca 0.07 -0.75 0.03 0.00 0.02 0.00 0.00 55.36 54.73 3i3b s GLN 702 Cb -0.11 -3.91 0.48 0.00 1.00 0.00 0.00 33.01 30.47 3i3b s GLN 702 CO 0.01 -0.68 1.78 -1.35 -2.12 0.00 0.00 175.29 172.93 3i3b h PRO 703 N 8.60 0.48 -6.06 2.91 0.11 -1.89 0.26 132.00 136.40 3i3b h PRO 703 Ca -0.28 -0.15 -0.64 0.00 0.11 0.00 0.00 66.00 65.03 3i3b h PRO 703 Cb 1.13 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.11 3i3b h PRO 703 CO 0.72 0.64 -0.57 -0.80 -0.21 0.00 0.00 178.00 177.78 3i3b s ASN 704 N -6.79 5.74 0.72 -2.05 0.02 -1.26 -3.88 114.94 107.44 3i3b s ASN 704 Ca -0.07 0.10 -0.12 0.00 -1.02 0.00 0.00 52.86 51.75 3i3b s ASN 704 Cb 0.14 -1.63 0.03 0.00 0.02 0.00 0.00 41.25 39.82 3i3b s ASN 704 CO 0.78 0.21 1.09 0.00 0.02 0.00 0.00 177.10 179.20 3i3b s ALA 705 N -1.33 2.41 0.32 0.60 0.00 -1.26 -4.45 121.76 118.05 3i3b s ALA 705 Ca 0.28 0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.59 3i3b s ALA 705 Cb -0.12 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3i3b s ALA 705 CO 0.20 -1.50 0.26 0.95 0.00 0.00 0.00 175.76 175.66 3i3b s THR 706 N -2.80 0.04 0.53 0.00 -4.23 0.80 -4.92 115.64 105.06 3i3b s THR 706 Ca 0.62 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.49 3i3b s THR 706 Cb -0.17 -2.49 0.38 0.00 1.34 0.00 0.00 72.50 71.57 3i3b s THR 706 CO 0.52 0.00 2.23 0.00 -0.54 0.00 0.00 174.62 176.83 3i3b h ALA 707 N 2.16 1.19 -0.00 3.99 0.00 -2.00 -2.96 119.26 121.64 3i3b h ALA 707 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i3b h ALA 707 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3i3b h ALA 707 CO 0.39 0.03 -0.20 -2.67 0.00 0.00 0.00 179.25 176.80 3i3b n TRP 708 N -3.39 0.00 -3.72 0.00 4.27 -1.26 -5.05 117.44 108.29 3i3b n TRP 708 Ca -0.02 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.49 3i3b n TRP 708 Cb 0.14 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.03 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 -1.27 -0.10 0.47 -0.67 1.04 -1.12 -4.72 113.70 107.32 3i3b s SER 709 Ca 0.05 -0.42 -0.04 0.00 0.48 0.00 0.00 55.95 56.03 3i3b s SER 709 Cb 0.06 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 3i3b s SER 709 CO 0.22 -0.79 0.74 -1.61 0.98 0.00 0.00 173.24 172.77 3i3b s GLU 710 N -3.74 3.40 0.35 4.02 2.02 -1.26 -0.14 118.70 123.35 3i3b s GLU 710 Ca 0.03 -0.00 -0.28 0.00 0.02 0.00 0.00 54.97 54.73 3i3b s GLU 710 Cb 0.03 -2.44 -0.11 0.00 0.10 0.00 0.00 34.13 31.71 3i3b s GLU 710 CO -0.11 -0.21 1.43 0.00 0.02 0.00 0.00 175.26 176.39 3i3b s ALA 711 N -2.67 3.56 0.00 5.21 0.00 -1.26 -2.41 121.76 124.19 3i3b s ALA 711 Ca 0.47 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.90 3i3b s ALA 711 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3i3b s ALA 711 CO 0.42 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.68 3i3b n GLY 712 N 0.71 0.70 3.69 0.00 0.00 0.90 -4.94 105.19 106.25 3i3b n GLY 712 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 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 2.46 -3.38 1.61 -0.00 -1.01 -4.63 115.22 108.26 3i3b n HIS 713 Ca 0.00 0.25 -0.39 0.00 0.46 0.00 0.00 57.72 58.04 3i3b n HIS 713 Cb 0.00 -2.56 -0.09 0.00 -0.12 0.00 0.00 29.99 27.22 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 0.57 5.17 -0.62 3.57 1.01 -1.26 -0.91 121.20 128.73 3i3b s ILE 714 Ca 0.73 0.54 0.17 0.00 0.00 0.00 0.00 60.65 62.09 3i3b s ILE 714 Cb -0.60 -3.72 -0.21 0.00 0.01 0.00 0.00 42.46 37.94 3i3b s ILE 714 CO 0.41 0.13 0.65 -1.54 0.00 0.00 0.00 174.94 174.59 3i3b n SER 715 N 5.35 0.84 -3.54 3.58 3.41 -0.66 -5.03 113.62 117.58 3i3b n SER 715 Ca -0.08 -0.68 -0.07 0.00 -0.26 0.00 0.00 58.87 57.77 3i3b n SER 715 Cb 0.51 1.20 -0.02 0.00 -0.26 0.00 0.00 64.21 65.64 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 -2.78 -1.84 0.13 7.33 0.00 -1.25 -4.66 121.76 118.68 3i3b s ALA 716 Ca 0.03 1.00 -0.25 0.00 0.00 0.00 0.00 51.96 52.74 3i3b s ALA 716 Cb 0.13 0.37 0.07 0.00 0.00 0.00 0.00 23.12 23.69 3i3b s ALA 716 CO 0.72 -0.71 0.85 1.67 0.00 0.00 0.00 175.76 178.28 3i3b s TRP 717 N -3.04 -0.26 -0.12 0.00 -2.14 -1.26 -0.61 118.94 111.50 3i3b s TRP 717 Ca 0.06 -0.00 -0.30 0.00 2.66 0.00 0.00 56.10 58.52 3i3b s TRP 717 Cb -0.01 0.61 0.11 0.00 -3.10 0.00 0.00 33.47 31.08 3i3b s TRP 717 CO -0.07 -0.81 0.89 -1.14 -2.66 0.00 0.00 176.95 173.15 3i3b s GLN 718 N -3.40 0.75 0.15 3.25 2.00 -0.29 -4.97 119.66 117.15 3i3b s GLN 718 Ca 0.08 0.19 0.07 0.00 -2.00 0.00 0.00 55.36 53.71 3i3b s GLN 718 Cb -0.02 0.35 -0.04 0.00 0.80 0.00 0.00 33.01 34.10 3i3b s GLN 718 CO -0.03 -0.23 -0.16 -0.65 -0.50 0.00 0.00 175.29 173.72 3i3b s GLN 719 N -1.12 1.19 -0.09 1.67 -0.21 -1.26 -0.93 119.66 118.91 3i3b s GLN 719 Ca -0.05 -1.37 -0.09 0.00 0.02 0.00 0.00 55.36 53.87 3i3b s GLN 719 Cb -0.00 -1.14 0.02 0.00 1.00 0.00 0.00 33.01 32.89 3i3b s GLN 719 CO 0.04 0.22 0.25 -1.58 -2.12 0.00 0.00 175.29 172.10 3i3b s TRP 720 N -2.22 -0.27 0.10 0.91 0.51 -0.29 -4.99 118.94 112.69 3i3b s TRP 720 Ca 0.14 0.66 -0.30 0.00 -2.12 0.00 0.00 56.10 54.49 3i3b s TRP 720 Cb -0.05 0.09 -0.06 0.00 -0.81 0.00 0.00 33.47 32.65 3i3b s TRP 720 CO 0.05 -0.13 0.97 1.03 -0.51 0.00 0.00 176.95 178.36 3i3b s ARG 721 N 0.15 4.68 0.00 4.98 0.52 -1.26 -1.05 118.95 126.96 3i3b s ARG 721 Ca -0.00 1.45 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 3i3b s ARG 721 Cb -0.02 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 32.07 3i3b s ARG 721 CO 0.00 0.18 0.00 1.28 0.02 0.00 0.00 175.30 176.78 3i3b n LEU 722 N 2.90 0.00 -4.76 2.53 4.77 -0.13 -4.92 117.00 117.39 3i3b n LEU 722 Ca 0.03 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.65 3i3b n LEU 722 Cb 0.49 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 3i3b n LEU 722 CO 0.51 0.00 0.84 0.00 -1.33 0.00 0.00 177.39 177.41 3i3b s ALA 723 N -2.71 2.65 -0.01 -1.18 0.00 -1.26 -4.66 121.76 114.59 3i3b s ALA 723 Ca 0.00 0.99 0.03 0.00 0.00 0.00 0.00 51.96 52.98 3i3b s ALA 723 Cb 0.00 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 3i3b s ALA 723 CO 0.00 -1.04 -0.10 -2.00 0.00 0.00 0.00 175.76 172.63 3i3b s GLU 724 N -3.20 0.86 -0.29 0.00 2.12 -1.26 -0.77 118.70 116.15 3i3b s GLU 724 Ca 0.74 -0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.75 3i3b s GLU 724 Cb -0.30 -0.82 0.07 0.00 0.26 0.00 0.00 34.13 33.34 3i3b s GLU 724 CO 0.33 0.19 -0.04 -0.80 -0.54 0.00 0.00 175.26 174.40 3i3b s ASN 725 N -0.12 4.62 0.30 -1.70 0.01 0.14 -4.97 114.94 113.21 3i3b s ASN 725 Ca 0.02 -1.66 -0.29 0.00 -0.71 0.00 0.00 52.86 50.22 3i3b s ASN 725 Cb -0.05 -1.60 -0.10 0.00 0.41 0.00 0.00 41.25 39.91 3i3b s ASN 725 CO -0.00 -0.27 1.41 -0.76 -1.51 0.00 0.00 177.10 175.97 3i3b s LEU 726 N 1.05 4.39 -0.16 0.60 1.43 -1.26 -0.82 118.68 123.90 3i3b s LEU 726 Ca -0.02 2.74 -0.29 0.00 -1.03 0.00 0.00 54.13 55.53 3i3b s LEU 726 Cb -0.20 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.37 3i3b s LEU 726 CO -0.06 -0.68 1.18 -0.55 0.23 0.00 0.00 176.35 176.47 3i3b s SER 727 N 0.02 7.02 0.00 2.29 0.15 -1.26 -4.86 113.70 117.06 3i3b s SER 727 Ca 0.55 1.62 0.06 0.00 0.70 0.00 0.00 55.95 58.89 3i3b s SER 727 Cb -0.42 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.33 3i3b s SER 727 CO 0.49 -0.69 0.45 1.33 1.20 0.00 0.00 173.24 176.03 3i3b n VAL 728 N 5.18 0.00 -2.14 4.45 0.24 -1.26 -5.00 118.33 119.81 3i3b n VAL 728 Ca 0.13 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 61.59 3i3b n VAL 728 Cb 0.46 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 33.86 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 -1.16 3.66 0.08 3.34 -4.23 -1.26 -4.98 115.64 111.09 3i3b s THR 729 Ca 0.05 0.94 -0.30 0.00 -1.18 0.00 0.00 61.69 61.20 3i3b s THR 729 Cb 0.05 -3.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.23 3i3b s THR 729 CO 0.18 -0.04 1.08 -0.76 -0.54 0.00 0.00 174.62 174.54 3i3b s LEU 730 N 3.15 4.42 0.49 4.79 1.43 -1.26 -5.01 118.68 126.69 3i3b s LEU 730 Ca 0.67 1.90 -0.23 0.00 -1.03 0.00 0.00 54.13 55.45 3i3b s LEU 730 Cb -0.32 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.25 3i3b s LEU 730 CO 0.27 -0.28 1.23 -2.16 0.23 0.00 0.00 176.35 175.63 3i3b s PRO 731 N 0.51 3.57 0.34 1.29 0.04 -1.26 -4.95 135.00 134.54 3i3b s PRO 731 Ca 0.53 1.93 -0.29 0.00 0.04 0.00 0.00 61.00 63.21 3i3b s PRO 731 Cb -0.26 -2.37 -0.11 0.00 0.04 0.00 0.00 34.50 31.80 3i3b s PRO 731 CO 0.30 -0.75 1.49 0.00 0.04 0.00 0.00 177.00 178.08 3i3b s ALA 732 N -1.46 3.61 0.42 8.56 0.00 -1.26 -4.91 121.76 126.72 3i3b s ALA 732 Ca 0.66 1.51 -0.23 0.00 0.00 0.00 0.00 51.96 53.90 3i3b s ALA 732 Cb -0.33 -3.60 -0.11 0.00 0.00 0.00 0.00 23.12 19.09 3i3b s ALA 732 CO 0.39 -0.96 0.81 0.00 0.00 0.00 0.00 175.76 176.00 3i3b n ALA 733 N 1.09 -0.57 -1.55 0.00 0.00 -1.26 -4.94 120.51 113.28 3i3b n ALA 733 Ca 0.03 0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 3i3b n ALA 733 Cb 0.39 -1.95 0.04 0.00 0.00 0.00 0.00 19.45 17.93 3i3b n ALA 733 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i3b s SER 734 N -0.86 5.34 -0.16 0.00 1.04 -1.26 -5.01 113.70 112.79 3i3b s SER 734 Ca 0.64 1.81 -0.25 0.00 0.48 0.00 0.00 55.95 58.63 3i3b s SER 734 Cb -0.58 -2.53 -0.22 0.00 0.10 0.00 0.00 66.02 62.80 3i3b s SER 734 CO 0.57 -1.47 0.51 0.45 0.98 0.00 0.00 173.24 174.28 3i3b h HIS 735 N -0.17 0.00 -2.07 5.02 3.86 -1.92 -3.48 115.15 116.38 3i3b h HIS 735 Ca -0.46 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.25 3i3b h HIS 735 Cb 1.22 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.65 3i3b h HIS 735 CO 0.58 1.12 -0.50 0.00 0.86 0.00 0.00 177.93 180.00 3i3b s ALA 736 N -2.30 3.67 -0.17 2.45 0.00 -1.26 -5.12 121.76 119.04 3i3b s ALA 736 Ca -0.22 -1.51 -0.01 0.00 0.00 0.00 0.00 51.96 50.22 3i3b s ALA 736 Cb 0.01 -1.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.88 3i3b s ALA 736 CO 0.62 0.16 -0.12 0.42 0.00 0.00 0.00 175.76 176.84 3i3b s ILE 737 N -2.20 2.91 0.52 0.00 1.01 -1.26 -3.81 121.20 118.37 3i3b s ILE 737 Ca 0.36 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 60.10 3i3b s ILE 737 Cb -0.07 -2.25 -0.06 0.00 0.01 0.00 0.00 42.46 40.09 3i3b s ILE 737 CO 0.25 0.50 1.32 -2.65 0.00 0.00 0.00 174.94 174.36 3i3b n PRO 738 N 4.16 1.71 -4.35 2.79 -0.02 -1.26 -4.94 135.00 133.09 3i3b n PRO 738 Ca -0.19 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 3i3b n PRO 738 Cb 0.52 -2.51 -0.11 0.00 -0.02 0.00 0.00 33.50 31.37 3i3b n PRO 738 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3i3b s HIS 739 N -1.28 3.10 -0.24 6.00 2.46 0.25 -4.76 115.29 120.82 3i3b s HIS 739 Ca 0.69 -0.04 -0.12 0.00 0.47 0.00 0.00 55.06 56.07 3i3b s HIS 739 Cb -0.43 -1.89 -0.05 0.00 -0.13 0.00 0.00 32.58 30.08 3i3b s HIS 739 CO 0.51 0.21 0.23 -1.17 -2.47 0.00 0.00 174.74 172.05 3i3b s LEU 740 N -0.19 4.11 -0.32 8.88 2.96 -1.26 -0.97 118.68 131.88 3i3b s LEU 740 Ca 0.05 0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 54.12 3i3b s LEU 740 Cb -0.13 -2.22 0.05 0.00 0.50 0.00 0.00 46.19 44.39 3i3b s LEU 740 CO 0.02 0.00 0.04 -0.89 -1.32 0.00 0.00 176.35 174.20 3i3b s THR 741 N 1.28 3.25 -0.27 3.68 2.01 0.92 -4.98 115.64 121.53 3i3b s THR 741 Ca 0.10 -1.32 -0.13 0.00 0.31 0.00 0.00 61.69 60.66 3i3b s THR 741 Cb -0.14 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 3i3b s THR 741 CO 0.06 -0.14 0.28 -0.89 -0.69 0.00 0.00 174.62 173.25 3i3b s THR 742 N 1.30 5.24 0.41 -0.82 2.01 -1.26 -1.29 115.64 121.24 3i3b s THR 742 Ca -0.04 0.38 0.04 0.00 0.31 0.00 0.00 61.69 62.38 3i3b s THR 742 Cb -0.20 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 3i3b s THR 742 CO 0.00 0.21 0.04 -0.94 -0.69 0.00 0.00 174.62 173.24 3i3b s SER 743 N 1.67 3.38 0.25 3.53 1.04 -0.32 -5.01 113.70 118.24 3i3b s SER 743 Ca 0.11 -1.50 -0.06 0.00 0.48 0.00 0.00 55.95 54.98 3i3b s SER 743 Cb -0.16 0.08 0.25 0.00 0.10 0.00 0.00 66.02 66.29 3i3b s SER 743 CO 0.10 -0.68 1.92 -0.33 0.98 0.00 0.00 173.24 175.24 3i3b h GLU 744 N 1.75 1.31 0.00 4.02 4.39 -2.03 -3.15 114.58 120.86 3i3b h GLU 744 Ca -0.42 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.20 3i3b h GLU 744 Cb 1.27 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 3i3b h GLU 744 CO 0.72 0.87 -1.07 -1.33 -1.16 0.00 0.00 179.01 177.04 3i3b n MET 745 N -4.39 0.11 -4.04 2.33 2.81 -1.26 -4.84 117.12 107.83 3i3b n MET 745 Ca 0.12 -0.02 -0.10 0.00 -1.81 0.00 0.00 57.70 55.88 3i3b n MET 745 Cb 0.01 -1.51 -0.06 0.00 -0.71 0.00 0.00 33.22 30.95 3i3b n MET 745 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3i3b s ASP 746 N -3.27 0.04 -0.32 7.83 1.01 -1.19 -1.45 116.67 119.32 3i3b s ASP 746 Ca 0.06 -1.06 -0.01 0.00 0.71 0.00 0.00 52.55 52.25 3i3b s ASP 746 Cb 0.16 0.56 0.10 0.00 1.01 0.00 0.00 42.92 44.75 3i3b s ASP 746 CO 0.85 -1.11 0.11 -0.36 0.21 0.00 0.00 175.17 174.87 3i3b s PHE 747 N -3.94 1.62 -0.08 4.23 0.08 -0.42 -1.17 117.98 118.31 3i3b s PHE 747 Ca 0.26 -1.72 -0.03 0.00 0.12 0.00 0.00 56.93 55.56 3i3b s PHE 747 Cb 0.01 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 3i3b s PHE 747 CO 0.11 -0.87 0.06 0.00 -0.10 0.00 0.00 175.22 174.42 3i3b s ILE 749 N -0.99 2.42 -0.03 0.00 1.09 0.34 -0.05 121.20 123.97 3i3b s ILE 749 Ca 0.16 -0.89 0.07 0.00 -1.10 0.00 0.00 60.65 58.89 3i3b s ILE 749 Cb -0.12 -1.96 -0.02 0.00 -1.06 0.00 0.00 42.46 39.31 3i3b s ILE 749 CO 0.05 0.55 -0.26 -1.61 -0.10 0.00 0.00 174.94 173.57 3i3b s GLU 750 N 0.30 2.27 -0.29 2.79 8.01 -0.15 -1.39 118.70 130.23 3i3b s GLU 750 Ca -0.15 -0.92 0.04 0.00 0.01 0.00 0.00 54.97 53.95 3i3b s GLU 750 Cb -0.17 -2.08 0.20 0.00 -4.31 0.00 0.00 34.13 27.77 3i3b s GLU 750 CO 0.07 0.50 0.61 -1.17 0.01 0.00 0.00 175.26 175.28 3i3b s LEU 751 N -0.45 -1.54 0.00 1.80 2.96 -0.99 -0.58 118.68 119.89 3i3b s LEU 751 Ca 0.05 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 3i3b s LEU 751 Cb -0.11 2.05 0.00 0.00 0.50 0.00 0.00 46.19 48.63 3i3b s LEU 751 CO 0.01 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 3i3b n GLY 752 N 5.42 1.32 1.64 7.98 0.00 -1.26 -2.37 105.19 117.92 3i3b n GLY 752 Ca 0.03 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 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 1.67 3.86 -4.62 1.61 6.94 -1.26 -4.87 115.26 118.58 3i3b n ASN 753 Ca 0.00 -2.87 -0.34 0.00 -0.02 0.00 0.00 54.58 51.35 3i3b n ASN 753 Cb 0.00 -0.68 -0.10 0.00 -2.36 0.00 0.00 39.78 36.64 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 -2.21 2.89 0.00 -3.83 -0.14 -1.00 0.13 119.74 115.57 3i3b s LYS 754 Ca 0.38 -0.48 0.01 0.00 -1.36 0.00 0.00 55.97 54.51 3i3b s LYS 754 Cb 0.30 -2.69 -0.01 0.00 -1.68 0.00 0.00 37.83 33.76 3i3b s LYS 754 CO 0.09 0.67 -0.04 0.50 -0.76 0.00 0.00 175.35 175.81 3i3b s ARG 755 N -0.80 0.29 -0.11 1.68 3.52 -0.30 -2.34 118.95 120.89 3i3b s ARG 755 Ca 0.12 -0.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.53 3i3b s ARG 755 Cb -0.11 -0.24 0.02 0.00 -1.56 0.00 0.00 34.95 33.06 3i3b s ARG 755 CO 0.02 0.06 -0.14 -1.58 -0.81 0.00 0.00 175.30 172.85 3i3b s TRP 756 N -0.27 1.94 -0.20 5.12 0.51 -0.49 -0.03 118.94 125.52 3i3b s TRP 756 Ca -0.01 -0.93 -0.00 0.00 -2.12 0.00 0.00 56.10 53.04 3i3b s TRP 756 Cb -0.03 -1.41 0.02 0.00 -0.81 0.00 0.00 33.47 31.24 3i3b s TRP 756 CO -0.00 -0.49 -0.15 -1.14 -0.51 0.00 0.00 176.95 174.66 3i3b s GLN 757 N 1.08 3.04 -0.24 4.98 0.74 0.79 -0.50 119.66 129.55 3i3b s GLN 757 Ca -0.05 -0.81 -0.05 0.00 0.05 0.00 0.00 55.36 54.50 3i3b s GLN 757 Cb -0.15 -2.72 -0.01 0.00 1.10 0.00 0.00 33.01 31.24 3i3b s GLN 757 CO -0.03 -0.24 0.00 -0.06 -0.55 0.00 0.00 175.29 174.42 3i3b s PHE 758 N 1.33 3.03 -0.16 1.67 0.40 -0.54 -1.57 117.98 122.14 3i3b s PHE 758 Ca 0.04 -0.91 -0.29 0.00 -0.60 0.00 0.00 56.93 55.17 3i3b s PHE 758 Cb -0.14 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.21 3i3b s PHE 758 CO -0.10 -0.53 1.41 1.21 0.70 0.00 0.00 175.22 177.91 3i3b s ASN 759 N 1.49 6.78 0.00 1.36 3.84 -0.98 -1.30 114.94 126.13 3i3b s ASN 759 Ca 0.05 1.77 0.19 0.00 0.21 0.00 0.00 52.86 55.07 3i3b s ASN 759 Cb -0.15 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 38.91 3i3b s ASN 759 CO -0.01 -0.90 1.57 0.54 -2.79 0.00 0.00 177.10 175.52 3i3b n ARG 760 N 6.95 0.19 -0.09 0.43 1.74 -0.53 0.56 116.66 125.92 3i3b n ARG 760 Ca 0.15 0.13 -0.23 0.00 -0.77 0.00 0.00 57.85 57.14 3i3b n ARG 760 Cb 0.45 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.27 3i3b n ARG 760 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i3b n GLN 761 N -1.34 0.64 0.07 5.56 7.27 -1.26 -4.51 117.38 123.80 3i3b n GLN 761 Ca 0.08 0.35 -0.23 0.00 0.07 0.00 0.00 57.00 57.27 3i3b n GLN 761 Cb 0.17 -1.64 -0.15 0.00 2.41 0.00 0.00 30.24 31.02 3i3b n GLN 761 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3i3b h SER 762 N -0.55 0.61 0.00 1.69 4.64 -1.93 -3.44 113.55 114.56 3i3b h SER 762 Ca -0.49 -0.94 0.00 0.00 -0.47 0.00 0.00 61.79 59.89 3i3b h SER 762 Cb 1.67 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 3i3b h SER 762 CO -0.16 1.80 0.00 0.61 -0.87 0.00 0.00 176.83 178.21 3i3b n GLY 763 N 1.87 0.65 3.40 -0.77 0.00 0.19 -4.62 105.19 105.91 3i3b n GLY 763 Ca -0.25 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 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 2.18 -0.59 1.61 0.08 -1.24 -4.92 117.98 113.10 3i3b s PHE 764 Ca 0.00 -0.38 -0.27 0.00 0.12 0.00 0.00 56.93 56.40 3i3b s PHE 764 Cb 0.00 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.34 3i3b s PHE 764 CO 0.00 0.44 1.90 -1.17 -0.10 0.00 0.00 175.22 176.30 3i3b s LEU 765 N -2.60 3.31 0.07 -0.37 2.96 -1.26 -2.31 118.68 118.48 3i3b s LEU 765 Ca 0.19 0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 54.47 3i3b s LEU 765 Cb -0.08 -2.57 -0.28 0.00 0.50 0.00 0.00 46.19 43.76 3i3b s LEU 765 CO 0.09 -2.39 1.13 0.77 -1.32 0.00 0.00 176.35 174.63 3i3b h SER 766 N 15.25 0.48 -5.03 3.68 4.64 -1.64 -1.88 113.55 129.05 3i3b h SER 766 Ca -0.26 -0.50 -0.08 0.00 -0.47 0.00 0.00 61.79 60.48 3i3b h SER 766 Cb 1.17 -0.15 -0.17 0.00 -0.31 0.00 0.00 62.40 62.94 3i3b h SER 766 CO 1.21 1.39 -0.11 -1.58 -0.87 0.00 0.00 176.83 176.87 3i3b s GLN 767 N -2.68 0.90 -0.04 4.77 2.00 -1.11 -4.31 119.66 119.18 3i3b s GLN 767 Ca -0.05 -0.32 -0.02 0.00 -2.00 0.00 0.00 55.36 52.98 3i3b s GLN 767 Cb 0.07 0.40 0.03 0.00 0.80 0.00 0.00 33.01 34.31 3i3b s GLN 767 CO 0.89 -0.30 0.10 1.41 -0.50 0.00 0.00 175.29 176.88 3i3b s MET 768 N -2.31 0.05 0.03 1.67 -2.45 -1.26 -0.15 119.30 114.88 3i3b s MET 768 Ca -0.06 0.27 0.07 0.00 -1.25 0.00 0.00 55.69 54.72 3i3b s MET 768 Cb -0.01 -0.17 -0.03 0.00 1.25 0.00 0.00 34.83 35.87 3i3b s MET 768 CO -0.01 -0.14 -0.18 -1.58 1.05 0.00 0.00 175.02 174.15 3i3b s TRP 769 N 0.97 2.56 -0.44 4.11 0.51 0.96 -0.37 118.94 127.25 3i3b s TRP 769 Ca -0.08 -0.26 0.03 0.00 -2.12 0.00 0.00 56.10 53.67 3i3b s TRP 769 Cb -0.10 -1.47 0.12 0.00 -0.81 0.00 0.00 33.47 31.21 3i3b s TRP 769 CO -0.04 0.24 0.20 0.42 -0.51 0.00 0.00 176.95 177.27 3i3b s ILE 770 N -0.91 1.85 0.00 2.03 1.01 -0.96 -1.15 121.20 123.08 3i3b s ILE 770 Ca 0.14 -2.66 0.00 0.00 0.00 0.00 0.00 60.65 58.14 3i3b s ILE 770 Cb -0.10 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.05 3i3b s ILE 770 CO 0.05 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 174.80 3i3b n GLY 771 N 3.64 1.33 0.00 6.18 0.00 0.34 -3.26 105.19 113.42 3i3b n GLY 771 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3i3b n GLY 771 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i3b n ASP 772 N 4.62 0.78 -4.60 1.61 5.75 -1.26 -4.84 116.55 118.60 3i3b n ASP 772 Ca 0.00 -1.23 -0.40 0.00 -0.01 0.00 0.00 54.79 53.15 3i3b n ASP 772 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 3i3b n ASP 772 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3i3b s LYS 773 N -0.23 3.97 0.45 0.11 -0.14 -1.20 -5.05 119.74 117.66 3i3b s LYS 773 Ca 0.00 0.17 -0.25 0.00 -1.36 0.00 0.00 55.97 54.54 3i3b s LYS 773 Cb 0.00 -3.68 -0.08 0.00 -1.68 0.00 0.00 37.83 32.39 3i3b s LYS 773 CO 0.00 -0.39 1.33 0.15 -0.76 0.00 0.00 175.35 175.68 3i3b s LYS 774 N 2.28 3.69 -0.01 1.68 1.02 -1.26 -2.25 119.74 124.88 3i3b s LYS 774 Ca 0.19 2.20 0.18 0.00 0.02 0.00 0.00 55.97 58.56 3i3b s LYS 774 Cb -0.16 -2.58 -0.24 0.00 -0.52 0.00 0.00 37.83 34.33 3i3b s LYS 774 CO 0.10 -0.73 0.55 1.04 -0.92 0.00 0.00 175.35 175.39 3i3b n GLN 775 N -0.28 0.85 -4.62 1.68 1.13 0.51 -4.76 117.38 111.89 3i3b n GLN 775 Ca 0.06 -0.09 -0.27 0.00 -1.94 0.00 0.00 57.00 54.76 3i3b n GLN 775 Cb 0.44 -1.38 -0.14 0.00 0.11 0.00 0.00 30.24 29.27 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 -3.60 2.20 -0.13 1.08 1.43 -1.26 0.17 118.68 118.57 3i3b s LEU 776 Ca -0.01 -0.59 0.15 0.00 -1.03 0.00 0.00 54.13 52.66 3i3b s LEU 776 Cb 0.12 -1.05 -0.21 0.00 0.03 0.00 0.00 46.19 45.08 3i3b s LEU 776 CO 0.74 0.17 0.13 0.18 0.23 0.00 0.00 176.35 177.79 3i3b n LEU 777 N 1.62 0.00 -4.00 1.79 4.77 0.10 -4.63 117.00 116.65 3i3b n LEU 777 Ca -0.18 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.63 3i3b n LEU 777 Cb 0.53 0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 41.78 3i3b n LEU 777 CO 0.23 0.31 -0.42 -0.89 -1.33 0.00 0.00 177.39 175.29 3i3b s THR 778 N -2.56 0.60 1.02 -5.08 2.01 -1.16 -4.97 115.64 105.50 3i3b s THR 778 Ca -0.08 -0.37 -0.12 0.00 0.31 0.00 0.00 61.69 61.44 3i3b s THR 778 Cb 0.06 -0.51 0.18 0.00 0.01 0.00 0.00 72.50 72.24 3i3b s THR 778 CO 0.67 0.13 0.96 -2.65 -0.69 0.00 0.00 174.62 173.04 3i3b n PRO 779 N 2.80 -1.16 -2.92 4.92 -0.02 -1.26 -3.52 135.00 133.84 3i3b n PRO 779 Ca -0.14 -0.29 -0.43 0.00 -2.02 0.00 0.00 63.50 60.63 3i3b n PRO 779 Cb 0.57 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 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 -5.92 4.12 0.14 2.45 2.96 -0.71 -4.46 118.68 117.27 3i3b s LEU 780 Ca 0.66 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 3i3b s LEU 780 Cb -0.23 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 3i3b s LEU 780 CO 0.62 -0.83 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.61 3i3b s ARG 781 N 3.28 1.00 0.77 1.98 0.52 -0.71 -4.12 118.95 121.67 3i3b s ARG 781 Ca 0.33 -1.43 -0.11 0.00 -0.52 0.00 0.00 55.73 53.99 3i3b s ARG 781 Cb -0.12 -0.43 0.06 0.00 0.52 0.00 0.00 34.95 34.98 3i3b s ARG 781 CO 0.20 0.01 1.11 -0.51 0.02 0.00 0.00 175.30 176.12 3i3b s ASP 782 N -3.13 4.36 -0.14 0.23 1.11 -1.26 -0.15 116.67 117.69 3i3b s ASP 782 Ca 0.16 1.92 -0.06 0.00 0.18 0.00 0.00 52.55 54.76 3i3b s ASP 782 Cb 0.04 -2.53 0.06 0.00 1.07 0.00 0.00 42.92 41.56 3i3b s ASP 782 CO -0.01 -2.14 0.30 -1.58 1.18 0.00 0.00 175.17 172.93 3i3b s GLN 783 N -4.71 0.22 -0.06 8.23 0.74 0.01 -4.70 119.66 119.39 3i3b s GLN 783 Ca 0.63 0.75 0.09 0.00 0.05 0.00 0.00 55.36 56.89 3i3b s GLN 783 Cb -0.19 0.01 0.22 0.00 1.10 0.00 0.00 33.01 34.15 3i3b s GLN 783 CO 0.54 -0.24 1.16 1.19 -0.55 0.00 0.00 175.29 177.38 3i3b n PHE 784 N 4.98 0.24 -4.32 1.67 3.72 -1.25 -2.63 117.46 119.87 3i3b n PHE 784 Ca -0.13 -0.68 -0.17 0.00 -0.05 0.00 0.00 57.45 56.43 3i3b n PHE 784 Cb 0.51 -0.11 -0.10 0.00 -0.94 0.00 0.00 39.48 38.84 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 -1.73 0.76 0.04 4.37 -4.23 -1.26 -2.98 115.64 110.61 3i3b s THR 785 Ca 0.19 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.63 3i3b s THR 785 Cb 0.15 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.48 3i3b s THR 785 CO 0.06 -0.16 0.13 0.00 -0.54 0.00 0.00 174.62 174.11 3i3b s ARG 786 N -3.96 0.62 -0.11 3.99 1.70 -1.26 -4.75 118.95 115.18 3i3b s ARG 786 Ca 0.33 -0.70 -0.29 0.00 -0.47 0.00 0.00 55.73 54.60 3i3b s ARG 786 Cb 0.07 0.25 -0.06 0.00 -0.57 0.00 0.00 34.95 34.64 3i3b s ARG 786 CO 0.11 -0.16 1.88 0.00 -1.08 0.00 0.00 175.30 176.05 3i3b s ALA 787 N -2.53 3.30 0.10 7.88 0.00 -1.26 -4.86 121.76 124.39 3i3b s ALA 787 Ca -0.05 0.90 -0.36 0.00 0.00 0.00 0.00 51.96 52.45 3i3b s ALA 787 Cb -0.01 -3.89 -0.17 0.00 0.00 0.00 0.00 23.12 19.05 3i3b s ALA 787 CO -0.04 -1.94 1.27 -0.35 0.00 0.00 0.00 175.76 174.69 3i3b n PRO 788 N 7.81 1.06 -2.08 0.00 -0.04 -1.26 -1.65 135.00 138.83 3i3b n PRO 788 Ca 0.22 0.38 -0.28 0.00 -0.04 0.00 0.00 63.50 63.78 3i3b n PRO 788 Cb 0.43 -1.97 0.07 0.00 -0.04 0.00 0.00 33.50 31.99 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 0.52 2.78 0.33 1.53 1.43 -1.26 -4.60 118.68 119.41 3i3b s LEU 789 Ca 0.82 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 54.64 3i3b s LEU 789 Cb -0.95 -3.34 0.63 0.00 0.03 0.00 0.00 46.19 42.56 3i3b s LEU 789 CO 0.49 -1.59 1.93 0.44 0.23 0.00 0.00 176.35 177.85 3i3b h ASP 790 N -0.70 0.80 0.55 2.29 3.45 -1.87 -0.60 116.42 120.34 3i3b h ASP 790 Ca -0.45 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 56.94 3i3b h ASP 790 Cb 1.30 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.90 3i3b h ASP 790 CO 0.63 0.51 -0.35 0.78 -1.57 0.00 0.00 179.24 179.24 3i3b h ASN 791 N 0.90 0.00 0.29 6.45 2.35 -1.85 -2.02 115.58 121.70 3i3b h ASN 791 Ca 0.36 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.90 3i3b h ASN 791 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3i3b h ASN 791 CO -0.13 0.35 -0.87 0.44 -1.65 0.00 0.00 177.43 175.57 3i3b h ASP 792 N 0.00 0.53 -0.11 5.81 3.32 -1.45 -3.23 116.42 121.29 3i3b h ASP 792 Ca -0.00 -0.40 -0.16 0.00 0.02 0.00 0.00 57.03 56.49 3i3b h ASP 792 Cb 0.72 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3i3b h ASP 792 CO 0.05 1.18 -0.48 0.40 -1.72 0.00 0.00 179.24 178.67 3i3b h ILE 793 N 0.26 1.30 -5.94 0.35 2.04 -1.13 -1.87 117.51 112.51 3i3b h ILE 793 Ca -0.06 -1.68 -0.38 0.00 1.00 0.00 0.00 64.86 63.74 3i3b h ILE 793 Cb 1.49 1.62 0.10 0.00 -0.74 0.00 0.00 36.82 39.28 3i3b h ILE 793 CO 0.15 0.53 -0.84 0.61 0.00 0.00 0.00 178.15 178.60 3i3b n GLY 794 N 0.17 -0.55 2.83 5.37 0.00 -0.78 -4.85 105.19 107.39 3i3b n GLY 794 Ca -0.03 0.25 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.55 -0.04 -0.91 1.61 -7.23 -1.04 -4.31 120.40 104.92 3i3b s VAL 795 Ca 0.15 0.16 0.21 0.00 -1.81 0.00 0.00 61.98 60.69 3i3b s VAL 795 Cb -0.04 -0.11 -0.22 0.00 0.56 0.00 0.00 36.38 36.57 3i3b s VAL 795 CO 0.80 0.07 0.89 -1.54 -0.31 0.00 0.00 175.10 175.01 3i3b n SER 796 N 3.94 0.88 -3.92 4.85 3.41 -1.26 -4.87 113.62 116.65 3i3b n SER 796 Ca -0.24 -0.86 -0.21 0.00 -0.26 0.00 0.00 58.87 57.30 3i3b n SER 796 Cb 0.53 1.04 -0.16 0.00 -0.26 0.00 0.00 64.21 65.35 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 -3.05 1.07 0.45 4.33 2.02 -1.26 -4.79 118.70 117.47 3i3b s GLU 797 Ca 0.07 -0.18 0.31 0.00 0.02 0.00 0.00 54.97 55.18 3i3b s GLU 797 Cb 0.16 -1.01 1.61 0.00 0.10 0.00 0.00 34.13 34.99 3i3b s GLU 797 CO 0.86 -0.07 1.94 0.00 0.02 0.00 0.00 175.26 178.02 3i3b h ALA 798 N 7.19 1.00 -0.01 5.21 0.00 -1.83 -2.09 119.26 128.73 3i3b h ALA 798 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3i3b h ALA 798 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3i3b h ALA 798 CO 0.46 0.00 -0.23 0.25 0.00 0.00 0.00 179.25 179.74 3i3b n THR 799 N -2.61 0.00 -3.54 0.00 -2.24 -1.26 -4.88 114.28 99.75 3i3b n THR 799 Ca -0.01 -0.10 -0.37 0.00 -2.27 0.00 0.00 64.05 61.29 3i3b n THR 799 Cb 0.09 0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.52 4.17 -0.66 -0.78 0.52 -0.79 -5.03 118.95 113.86 3i3b s ARG 800 Ca 0.25 -0.01 -0.04 0.00 -0.52 0.00 0.00 55.73 55.42 3i3b s ARG 800 Cb 0.19 -3.49 0.17 0.00 0.52 0.00 0.00 34.95 32.34 3i3b s ARG 800 CO 0.52 0.10 0.48 0.42 0.02 0.00 0.00 175.30 176.84 3i3b s ILE 801 N 0.90 3.88 -0.45 1.52 1.01 -1.26 -4.94 121.20 121.86 3i3b s ILE 801 Ca 0.14 -3.00 -0.24 0.00 0.00 0.00 0.00 60.65 57.55 3i3b s ILE 801 Cb -0.13 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 38.85 3i3b s ILE 801 CO 0.05 -0.90 0.86 -0.62 0.00 0.00 0.00 174.94 174.33 3i3b s ASP 802 N 0.71 6.47 0.52 3.58 2.15 -1.26 -4.92 116.67 123.92 3i3b s ASP 802 Ca 0.18 0.05 0.27 0.00 0.43 0.00 0.00 52.55 53.47 3i3b s ASP 802 Cb -0.19 -2.42 1.46 0.00 -0.30 0.00 0.00 42.92 41.47 3i3b s ASP 802 CO -0.04 -0.98 2.08 -0.65 -0.17 0.00 0.00 175.17 175.42 3i3b h PRO 803 N 8.99 0.00 0.00 4.34 0.11 -1.97 -2.70 132.00 140.78 3i3b h PRO 803 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3i3b h PRO 803 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3i3b h PRO 803 CO 0.99 0.11 0.00 -1.71 -0.21 0.00 0.00 178.00 177.18 3i3b n ASN 804 N -3.71 0.80 -4.76 -2.05 5.15 -1.26 -3.95 115.26 105.49 3i3b n ASN 804 Ca -0.02 0.59 -0.37 0.00 -0.60 0.00 0.00 54.58 54.18 3i3b n ASN 804 Cb 0.22 -0.80 0.02 0.00 -0.53 0.00 0.00 39.78 38.70 3i3b n ASN 804 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i3b s ALA 805 N -3.12 2.71 0.17 5.20 0.00 -1.02 -4.71 121.76 120.98 3i3b s ALA 805 Ca 0.10 1.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.96 3i3b s ALA 805 Cb 0.12 -3.46 0.11 0.00 0.00 0.00 0.00 23.12 19.89 3i3b s ALA 805 CO 0.58 -1.08 1.70 -1.49 0.00 0.00 0.00 175.76 175.46 3i3b h TRP 806 N 1.30 -0.01 -0.83 0.00 4.06 -1.82 -1.34 115.95 117.30 3i3b h TRP 806 Ca -0.50 0.03 0.04 0.00 2.06 0.00 0.00 58.89 60.52 3i3b h TRP 806 Cb 1.29 0.07 -0.05 0.00 -1.00 0.00 0.00 29.16 29.46 3i3b h TRP 806 CO 0.48 -0.07 0.53 -0.24 -3.56 0.00 0.00 178.44 175.57 3i3b h VAL 807 N 0.11 1.11 -0.63 1.49 3.04 -1.67 0.14 116.25 119.83 3i3b h VAL 807 Ca 0.20 -0.35 -0.08 0.00 -1.01 0.00 0.00 66.70 65.46 3i3b h VAL 807 Cb 0.27 0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 29.54 3i3b h VAL 807 CO -0.32 0.18 0.07 -0.33 -1.01 0.00 0.00 177.57 176.16 3i3b h GLU 808 N 1.01 1.07 -0.26 4.17 4.39 -1.69 -1.00 114.58 122.27 3i3b h GLU 808 Ca 0.34 -0.31 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 3i3b h GLU 808 Cb 0.05 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3i3b h GLU 808 CO -0.13 1.01 -0.28 0.00 -1.16 0.00 0.00 179.01 178.46 3i3b h ARG 809 N 0.99 0.51 -0.35 2.33 3.08 -0.55 -0.99 114.38 119.40 3i3b h ARG 809 Ca 0.19 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 3i3b h ARG 809 Cb 0.48 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3i3b h ARG 809 CO 0.02 0.74 -0.12 -1.49 -1.07 0.00 0.00 179.97 178.05 3i3b h TRP 810 N 0.45 0.80 0.34 3.04 6.55 -0.34 -2.01 115.95 124.78 3i3b h TRP 810 Ca 0.06 -0.18 -0.02 0.00 0.95 0.00 0.00 58.89 59.70 3i3b h TRP 810 Cb 0.71 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.83 3i3b h TRP 810 CO 0.03 0.88 -0.16 0.87 -1.05 0.00 0.00 178.44 179.00 3i3b h LYS 811 N 0.49 -0.44 -0.95 0.49 1.57 -1.09 -0.35 116.57 116.29 3i3b h LYS 811 Ca 0.08 0.03 0.18 0.00 -1.87 0.00 0.00 60.65 59.08 3i3b h LYS 811 Cb 0.65 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.97 3i3b h LYS 811 CO 0.04 -0.16 0.61 0.00 -0.57 0.00 0.00 179.45 179.37 3i3b h ALA 812 N -0.15 1.89 0.00 3.86 0.00 -1.21 0.40 119.26 124.05 3i3b h ALA 812 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i3b h ALA 812 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3i3b h ALA 812 CO 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.13 3i3b n ALA 813 N -2.42 2.19 -0.97 0.00 0.00 -0.76 -4.91 120.51 113.64 3i3b n ALA 813 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3i3b n ALA 813 Cb 0.59 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.16 0.51 0.32 0.00 0.00 0.14 -4.85 105.19 102.48 3i3b n GLY 814 Ca 0.06 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 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 1.19 0.00 1.61 3.86 -1.26 0.51 115.15 121.05 3i3b h HIS 815 Ca 0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3i3b h HIS 815 Cb 0.14 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.27 3i3b h HIS 815 CO 0.00 0.95 0.00 0.66 0.86 0.00 0.00 177.93 180.40 3i3b n TYR 816 N -4.25 0.32 0.23 2.45 4.01 -1.26 -3.35 117.16 115.30 3i3b n TYR 816 Ca 0.05 0.10 0.07 0.00 -0.16 0.00 0.00 57.90 57.96 3i3b n TYR 816 Cb 0.25 -0.67 -0.10 0.00 -0.31 0.00 0.00 39.34 38.52 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 -1.77 1.18 -1.45 -0.72 1.13 -0.74 -5.03 117.38 109.98 3i3b n GLN 817 Ca 0.05 -0.08 -0.43 0.00 -1.94 0.00 0.00 57.00 54.61 3i3b n GLN 817 Cb 0.31 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.40 3i3b n GLN 817 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i3b n ALA 818 N -1.75 -1.64 -3.42 -1.58 0.00 0.17 -5.00 120.51 107.29 3i3b n ALA 818 Ca -0.01 0.21 -0.20 0.00 0.00 0.00 0.00 53.44 53.45 3i3b n ALA 818 Cb 0.31 -1.76 -0.16 0.00 0.00 0.00 0.00 19.45 17.84 3i3b n ALA 818 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3i3b s GLU 819 N -1.46 0.86 0.14 0.00 -1.05 -1.23 -4.95 118.70 111.01 3i3b s GLU 819 Ca 0.62 -0.17 -0.31 0.00 -0.15 0.00 0.00 54.97 54.96 3i3b s GLU 819 Cb -0.65 -0.83 -0.09 0.00 -0.44 0.00 0.00 34.13 32.12 3i3b s GLU 819 CO 0.59 -0.02 1.42 0.00 0.95 0.00 0.00 175.26 178.20 3i3b s ALA 820 N 0.64 3.63 -0.21 -0.84 0.00 -1.26 -3.36 121.76 120.36 3i3b s ALA 820 Ca -0.09 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.06 3i3b s ALA 820 Cb -0.12 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.47 3i3b s ALA 820 CO 0.01 -0.65 -0.13 0.00 0.00 0.00 0.00 175.76 174.98 3i3b s ALA 821 N 0.97 2.51 0.07 0.00 0.00 0.10 -4.94 121.76 120.47 3i3b s ALA 821 Ca 0.65 -1.37 -0.31 0.00 0.00 0.00 0.00 51.96 50.93 3i3b s ALA 821 Cb -0.39 -1.43 -0.09 0.00 0.00 0.00 0.00 23.12 21.22 3i3b s ALA 821 CO 0.32 -0.62 1.73 -1.17 0.00 0.00 0.00 175.76 176.02 3i3b s LEU 822 N 1.29 4.38 -0.08 0.00 2.96 -1.26 -1.46 118.68 124.51 3i3b s LEU 822 Ca 0.02 2.56 0.13 0.00 -0.22 0.00 0.00 54.13 56.61 3i3b s LEU 822 Cb -0.15 -3.56 -0.19 0.00 0.50 0.00 0.00 46.19 42.79 3i3b s LEU 822 CO -0.09 -0.94 0.16 0.18 -1.32 0.00 0.00 176.35 174.35 3i3b n LEU 823 N 5.93 0.00 -3.59 -0.68 4.77 0.15 -4.94 117.00 118.63 3i3b n LEU 823 Ca 0.17 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 3i3b n LEU 823 Cb 0.40 0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 3i3b n LEU 823 CO 0.64 0.18 0.58 -1.58 -1.33 0.00 0.00 177.39 175.88 3i3b s GLN 824 N -2.61 0.77 -0.33 3.23 0.74 -0.93 -4.91 119.66 115.62 3i3b s GLN 824 Ca -0.06 0.49 0.03 0.00 0.05 0.00 0.00 55.36 55.88 3i3b s GLN 824 Cb 0.06 0.37 0.19 0.00 1.10 0.00 0.00 33.01 34.73 3i3b s GLN 824 CO 0.55 -0.18 0.69 0.00 -0.55 0.00 0.00 175.29 175.81 3i3b s THR 826 N 2.48 1.92 -0.01 0.00 -4.23 -0.26 -4.99 115.64 110.55 3i3b s THR 826 Ca 0.14 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 3i3b s THR 826 Cb -0.06 -2.78 0.01 0.00 1.34 0.00 0.00 72.50 71.00 3i3b s THR 826 CO -0.19 -0.11 0.00 0.00 -0.54 0.00 0.00 174.62 173.79 3i3b s ALA 827 N -2.80 0.09 0.07 3.99 0.00 -1.26 -1.61 121.76 120.24 3i3b s ALA 827 Ca 0.34 0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.43 3i3b s ALA 827 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 3i3b s ALA 827 CO 0.16 -0.03 -0.11 -0.51 0.00 0.00 0.00 175.76 175.28 3i3b s ASP 828 N 0.42 1.34 -0.19 0.00 1.01 -0.39 -5.00 116.67 113.85 3i3b s ASP 828 Ca -0.04 -0.67 -0.04 0.00 0.71 0.00 0.00 52.55 52.52 3i3b s ASP 828 Cb -0.06 -0.00 -0.02 0.00 1.01 0.00 0.00 42.92 43.86 3i3b s ASP 828 CO -0.01 -0.19 -0.04 -0.89 0.21 0.00 0.00 175.17 174.25 3i3b s THR 829 N -1.75 3.59 0.45 -1.27 2.01 -1.26 -0.65 115.64 116.76 3i3b s THR 829 Ca -0.02 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 61.62 3i3b s THR 829 Cb -0.07 -2.61 0.02 0.00 0.01 0.00 0.00 72.50 69.85 3i3b s THR 829 CO 0.01 0.45 0.62 -0.76 -0.69 0.00 0.00 174.62 174.24 3i3b s LEU 830 N 1.03 3.56 0.66 4.42 1.43 0.22 -4.98 118.68 125.02 3i3b s LEU 830 Ca 0.01 -0.42 0.32 0.00 -1.03 0.00 0.00 54.13 53.01 3i3b s LEU 830 Cb -0.15 -2.58 1.74 0.00 0.03 0.00 0.00 46.19 45.23 3i3b s LEU 830 CO 0.01 -0.86 1.98 0.00 0.23 0.00 0.00 176.35 177.70 3i3b h ALA 831 N 0.53 1.28 0.00 4.21 0.00 -2.02 -3.06 119.26 120.20 3i3b h ALA 831 Ca -0.39 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3i3b h ALA 831 Cb 1.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3i3b h ALA 831 CO 0.45 -0.28 -0.27 -0.40 0.00 0.00 0.00 179.25 178.75 3i3b n ASP 832 N -2.90 -0.00 -3.61 0.00 5.75 -1.26 -5.03 116.55 109.50 3i3b n ASP 832 Ca -0.02 -1.51 -0.02 0.00 -0.01 0.00 0.00 54.79 53.23 3i3b n ASP 832 Cb 0.33 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.00 -1.82 -0.10 2.12 0.00 -1.16 -3.00 121.76 117.82 3i3b s ALA 833 Ca 0.01 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.09 3i3b s ALA 833 Cb 0.01 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 3i3b s ALA 833 CO -0.01 -1.06 -0.16 0.08 0.00 0.00 0.00 175.76 174.61 3i3b s VAL 834 N -2.66 2.80 -0.26 0.00 1.01 -0.47 0.68 120.40 121.51 3i3b s VAL 834 Ca 0.17 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 3i3b s VAL 834 Cb -0.00 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.29 3i3b s VAL 834 CO 0.02 0.55 -0.07 -0.22 0.00 0.00 0.00 175.10 175.37 3i3b s LEU 835 N 0.01 3.31 -0.30 3.92 2.96 0.18 -1.87 118.68 126.88 3i3b s LEU 835 Ca -0.05 -1.08 -0.11 0.00 -0.22 0.00 0.00 54.13 52.67 3i3b s LEU 835 Cb -0.15 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 3i3b s LEU 835 CO 0.05 -0.16 0.18 -0.63 -1.32 0.00 0.00 176.35 174.46 3i3b s ILE 836 N 1.25 4.92 -0.20 6.68 -1.09 -0.15 -1.26 121.20 131.36 3i3b s ILE 836 Ca -0.03 -0.19 -0.05 0.00 -2.23 0.00 0.00 60.65 58.15 3i3b s ILE 836 Cb -0.18 -3.45 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 3i3b s ILE 836 CO -0.05 0.12 0.00 -0.89 -1.23 0.00 0.00 174.94 172.90 3i3b s THR 837 N 1.68 3.98 0.22 2.92 2.01 -0.64 0.10 115.64 125.92 3i3b s THR 837 Ca 0.06 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.80 3i3b s THR 837 Cb -0.17 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 3i3b s THR 837 CO 0.08 0.43 -0.04 0.42 -0.69 0.00 0.00 174.62 174.82 3i3b s THR 838 N 0.95 1.21 -0.17 -0.82 -4.23 -0.20 -1.10 115.64 111.28 3i3b s THR 838 Ca 0.01 -2.07 -0.08 0.00 -1.18 0.00 0.00 61.69 58.38 3i3b s THR 838 Cb -0.14 -2.24 0.07 0.00 1.34 0.00 0.00 72.50 71.53 3i3b s THR 838 CO 0.02 -0.43 0.39 0.00 -0.54 0.00 0.00 174.62 174.06 3i3b s ALA 839 N -3.30 -1.02 0.11 3.99 0.00 -0.41 -1.24 121.76 119.89 3i3b s ALA 839 Ca 0.26 1.44 0.07 0.00 0.00 0.00 0.00 51.96 53.74 3i3b s ALA 839 Cb 0.04 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 3i3b s ALA 839 CO 0.07 -0.46 -0.19 -1.01 0.00 0.00 0.00 175.76 174.18 3i3b s HIS 840 N 1.88 1.66 -0.07 0.00 3.76 0.70 0.31 115.29 123.53 3i3b s HIS 840 Ca -0.06 -0.45 0.04 0.00 -0.15 0.00 0.00 55.06 54.45 3i3b s HIS 840 Cb -0.10 -0.89 -0.00 0.00 1.11 0.00 0.00 32.58 32.70 3i3b s HIS 840 CO -0.12 0.19 -0.20 0.00 -0.85 0.00 0.00 174.74 173.76 3i3b s ALA 841 N -1.41 1.84 -0.22 -1.40 0.00 -0.53 -0.73 121.76 119.30 3i3b s ALA 841 Ca 0.07 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 3i3b s ALA 841 Cb -0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 3i3b s ALA 841 CO 0.04 0.30 0.04 -1.58 0.00 0.00 0.00 175.76 174.56 3i3b s TRP 842 N 0.16 3.09 0.14 0.00 0.51 0.12 0.03 118.94 122.98 3i3b s TRP 842 Ca -0.09 -0.37 0.05 0.00 -2.12 0.00 0.00 56.10 53.57 3i3b s TRP 842 Cb -0.15 -2.15 -0.04 0.00 -0.81 0.00 0.00 33.47 30.32 3i3b s TRP 842 CO 0.05 -0.24 -0.12 -0.65 -0.51 0.00 0.00 176.95 175.47 3i3b s GLN 843 N 1.19 1.06 -0.17 4.98 -0.21 -1.21 0.89 119.66 126.19 3i3b s GLN 843 Ca 0.04 -1.34 -0.04 0.00 0.02 0.00 0.00 55.36 54.04 3i3b s GLN 843 Cb -0.14 -0.81 0.08 0.00 1.00 0.00 0.00 33.01 33.14 3i3b s GLN 843 CO 0.02 0.14 0.26 -1.58 -2.12 0.00 0.00 175.29 172.01 3i3b s HIS 844 N -2.64 -0.41 -1.34 0.91 2.46 -0.17 -3.57 115.29 110.52 3i3b s HIS 844 Ca 0.13 0.67 -0.05 0.00 0.47 0.00 0.00 55.06 56.28 3i3b s HIS 844 Cb -0.02 -0.15 0.02 0.00 -0.13 0.00 0.00 32.58 32.30 3i3b s HIS 844 CO 0.02 -0.49 0.97 1.04 -2.47 0.00 0.00 174.74 173.82 3i3b n GLN 845 N 5.34 -6.35 -1.13 2.88 6.02 -1.26 -1.69 117.38 121.19 3i3b n GLN 845 Ca -0.06 0.73 -0.04 0.00 -0.01 0.00 0.00 57.00 57.62 3i3b n GLN 845 Cb 0.50 -5.62 -0.02 0.00 1.02 0.00 0.00 30.24 26.11 3i3b n GLN 845 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i3b n GLY 846 N -1.60 0.70 3.21 1.08 0.00 -1.26 -5.01 105.19 102.31 3i3b n GLY 846 Ca -0.14 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.84 3.18 -0.30 1.61 2.47 -0.68 -5.08 119.74 119.10 3i3b s LYS 847 Ca 0.00 -0.73 -0.29 0.00 -1.56 0.00 0.00 55.97 53.39 3i3b s LYS 847 Cb 0.00 -2.76 0.00 0.00 -1.46 0.00 0.00 37.83 33.61 3i3b s LYS 847 CO 0.00 -0.18 1.28 0.99 0.16 0.00 0.00 175.35 177.60 3i3b s THR 848 N 1.33 4.18 -0.18 3.43 2.01 -1.26 -1.00 115.64 124.14 3i3b s THR 848 Ca 0.04 1.33 -0.18 0.00 0.31 0.00 0.00 61.69 63.19 3i3b s THR 848 Cb -0.14 -4.18 -0.15 0.00 0.01 0.00 0.00 72.50 68.05 3i3b s THR 848 CO -0.08 -0.47 0.17 -0.07 -0.69 0.00 0.00 174.62 173.49 3i3b h LEU 849 N 10.78 0.00 -8.21 4.42 3.38 0.14 -3.43 115.31 122.39 3i3b h LEU 849 Ca -0.26 -0.42 -0.31 0.00 0.09 0.00 0.00 57.88 56.99 3i3b h LEU 849 Cb 1.09 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.63 3i3b h LEU 849 CO 1.03 1.20 -0.74 -0.36 0.09 0.00 0.00 178.44 179.66 3i3b s PHE 850 N -2.27 0.78 -0.10 1.13 0.08 -1.16 -1.83 117.98 114.60 3i3b s PHE 850 Ca -0.23 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.35 3i3b s PHE 850 Cb 0.04 -0.46 0.02 0.00 -0.57 0.00 0.00 43.02 42.05 3i3b s PHE 850 CO 0.48 -0.05 -0.09 0.42 -0.10 0.00 0.00 175.22 175.88 3i3b s ILE 851 N -1.30 1.08 -0.17 0.64 1.01 -0.11 0.13 121.20 122.49 3i3b s ILE 851 Ca -0.08 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.23 3i3b s ILE 851 Cb -0.10 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.32 3i3b s ILE 851 CO 0.01 0.37 -0.18 -0.55 0.00 0.00 0.00 174.94 174.59 3i3b s SER 852 N 1.45 3.32 -0.14 3.58 0.15 0.09 0.69 113.70 122.83 3i3b s SER 852 Ca 0.00 -0.59 -0.00 0.00 0.70 0.00 0.00 55.95 56.07 3i3b s SER 852 Cb -0.13 -1.51 -0.01 0.00 -1.71 0.00 0.00 66.02 62.66 3i3b s SER 852 CO -0.06 0.03 -0.14 -0.13 1.20 0.00 0.00 173.24 174.14 3i3b s ARG 853 N 1.13 3.30 0.25 5.44 0.52 0.02 -0.21 118.95 129.40 3i3b s ARG 853 Ca 0.01 -0.72 0.04 0.00 -0.52 0.00 0.00 55.73 54.54 3i3b s ARG 853 Cb -0.14 -2.64 -0.05 0.00 0.52 0.00 0.00 34.95 32.64 3i3b s ARG 853 CO -0.08 0.11 0.01 0.15 0.02 0.00 0.00 175.30 175.51 3i3b s LYS 854 N 0.60 1.41 -0.08 3.54 1.02 -0.37 -0.66 119.74 125.20 3i3b s LYS 854 Ca -0.08 -1.73 -0.05 0.00 0.02 0.00 0.00 55.97 54.13 3i3b s LYS 854 Cb -0.16 -0.68 0.03 0.00 -0.52 0.00 0.00 37.83 36.50 3i3b s LYS 854 CO 0.03 -0.11 0.19 0.95 -0.92 0.00 0.00 175.35 175.49 3i3b s THR 855 N -3.38 -0.02 -0.15 2.17 -4.23 -0.90 -1.03 115.64 108.09 3i3b s THR 855 Ca 0.30 0.08 0.01 0.00 -1.18 0.00 0.00 61.69 60.90 3i3b s THR 855 Cb 0.06 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.62 3i3b s THR 855 CO 0.10 0.03 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.72 3i3b s TYR 856 N 0.62 2.74 -0.27 3.99 1.51 0.11 -1.69 117.35 124.37 3i3b s TYR 856 Ca -0.04 -1.21 0.03 0.00 -1.01 0.00 0.00 57.07 54.83 3i3b s TYR 856 Cb -0.06 -1.87 0.06 0.00 -0.11 0.00 0.00 41.96 39.99 3i3b s TYR 856 CO -0.03 -0.56 -0.09 0.50 -1.11 0.00 0.00 175.55 174.26 3i3b s ARG 857 N 0.87 2.12 -0.24 -0.62 3.52 -0.32 -0.97 118.95 123.31 3i3b s ARG 857 Ca -0.05 -1.37 -0.07 0.00 -0.13 0.00 0.00 55.73 54.11 3i3b s ARG 857 Cb -0.15 -2.89 -0.03 0.00 -1.56 0.00 0.00 34.95 30.32 3i3b s ARG 857 CO -0.02 -0.61 0.05 0.42 -0.81 0.00 0.00 175.30 174.34 3i3b s ILE 858 N 1.11 4.18 0.38 4.11 1.01 -0.78 -0.16 121.20 131.05 3i3b s ILE 858 Ca -0.07 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.41 3i3b s ILE 858 Cb -0.20 -2.95 0.05 0.00 0.01 0.00 0.00 42.46 39.37 3i3b s ILE 858 CO -0.05 0.35 0.37 -0.90 0.00 0.00 0.00 174.94 174.72 3i3b n ASP 859 N 4.86 1.90 0.00 3.58 5.68 -1.04 -1.37 116.55 130.16 3i3b n ASP 859 Ca -0.16 -2.19 0.02 0.00 -0.50 0.00 0.00 54.79 51.96 3i3b n ASP 859 Cb 0.51 -0.12 0.08 0.00 -1.14 0.00 0.00 41.12 40.45 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 0.42 -0.54 0.60 6.12 0.00 -1.16 -1.70 105.19 108.93 3i3b n GLY 860 Ca 0.03 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 1.96 0.00 1.61 3.41 -1.26 -4.38 113.62 113.53 3i3b n SER 861 Ca 0.01 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 3i3b n SER 861 Cb 0.04 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 1.28 0.44 3.79 5.00 0.00 -0.69 -4.96 105.19 110.06 3i3b n GLY 862 Ca 0.15 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.40 3.38 -0.31 1.61 -0.21 -1.26 -4.35 119.66 117.12 3i3b s GLN 863 Ca 0.00 -0.24 -0.03 0.00 0.02 0.00 0.00 55.36 55.11 3i3b s GLN 863 Cb 0.00 -3.08 0.05 0.00 1.00 0.00 0.00 33.01 30.97 3i3b s GLN 863 CO 0.00 0.69 0.03 1.41 -2.12 0.00 0.00 175.29 175.30 3i3b s MET 864 N -0.80 2.51 -0.42 2.91 -2.45 0.74 -2.49 119.30 119.30 3i3b s MET 864 Ca 0.13 -1.23 -0.23 0.00 -1.25 0.00 0.00 55.69 53.12 3i3b s MET 864 Cb -0.12 -3.27 0.02 0.00 1.25 0.00 0.00 34.83 32.71 3i3b s MET 864 CO 0.03 -0.63 0.77 0.00 1.05 0.00 0.00 175.02 176.24 3i3b s ALA 865 N 1.31 3.34 -0.28 4.11 0.00 0.78 -0.54 121.76 130.47 3i3b s ALA 865 Ca -0.04 -0.91 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 3i3b s ALA 865 Cb -0.20 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 3i3b s ALA 865 CO 0.00 -1.75 0.14 0.42 0.00 0.00 0.00 175.76 174.57 3i3b s ILE 866 N 3.17 4.70 -0.16 0.00 1.01 0.14 -1.17 121.20 128.88 3i3b s ILE 866 Ca 0.29 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.70 3i3b s ILE 866 Cb -0.13 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 3i3b s ILE 866 CO 0.20 0.20 -0.00 -0.89 0.00 0.00 0.00 174.94 174.45 3i3b s THR 867 N 1.65 4.21 -0.12 2.92 2.01 -0.68 -0.60 115.64 125.03 3i3b s THR 867 Ca 0.06 -0.24 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 3i3b s THR 867 Cb -0.16 -2.86 0.03 0.00 0.01 0.00 0.00 72.50 69.51 3i3b s THR 867 CO 0.07 0.48 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.71 3i3b s VAL 868 N 0.35 1.10 -0.25 3.82 1.01 -0.23 -2.12 120.40 124.07 3i3b s VAL 868 Ca -0.02 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3i3b s VAL 868 Cb -0.14 -1.12 0.04 0.00 0.00 0.00 0.00 36.38 35.17 3i3b s VAL 868 CO 0.02 0.35 -0.09 -1.81 0.00 0.00 0.00 175.10 173.57 3i3b s ASP 869 N 1.68 4.29 -0.03 3.32 1.01 0.16 -1.76 116.67 125.34 3i3b s ASP 869 Ca 0.05 -1.12 0.01 0.00 0.71 0.00 0.00 52.55 52.20 3i3b s ASP 869 Cb -0.13 -1.60 -0.03 0.00 1.01 0.00 0.00 42.92 42.17 3i3b s ASP 869 CO -0.08 -0.16 -0.04 -0.69 0.21 0.00 0.00 175.17 174.41 3i3b s VAL 870 N 1.22 3.93 -0.11 -1.27 1.01 0.21 -0.80 120.40 124.58 3i3b s VAL 870 Ca -0.04 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3i3b s VAL 870 Cb -0.18 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 3i3b s VAL 870 CO -0.05 0.47 -0.14 -1.61 0.00 0.00 0.00 175.10 173.77 3i3b s GLU 871 N -1.24 3.19 -0.21 2.72 2.02 0.22 -0.87 118.70 124.52 3i3b s GLU 871 Ca 0.16 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.47 3i3b s GLU 871 Cb -0.11 -2.57 0.04 0.00 0.10 0.00 0.00 34.13 31.59 3i3b s GLU 871 CO 0.06 0.30 -0.12 0.08 0.02 0.00 0.00 175.26 175.61 3i3b s VAL 872 N 0.11 1.81 0.15 2.63 1.01 0.90 -0.93 120.40 126.08 3i3b s VAL 872 Ca -0.06 -1.14 -0.34 0.00 0.00 0.00 0.00 61.98 60.44 3i3b s VAL 872 Cb -0.15 -1.86 -0.15 0.00 0.00 0.00 0.00 36.38 34.22 3i3b s VAL 872 CO 0.05 0.18 1.43 0.00 0.00 0.00 0.00 175.10 176.76 3i3b n ALA 873 N 4.62 0.31 0.24 5.51 0.00 -0.76 -4.59 120.51 125.84 3i3b n ALA 873 Ca -0.15 0.47 0.07 0.00 0.00 0.00 0.00 53.44 53.83 3i3b n ALA 873 Cb 0.46 -2.21 0.58 0.00 0.00 0.00 0.00 19.45 18.28 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 4.97 0.00 -0.32 0.00 4.64 -1.94 -2.74 113.55 118.17 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 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3i3b h SER 874 CO 0.81 0.12 0.00 -0.90 -0.87 0.00 0.00 176.83 175.99 3i3b n ASP 875 N -4.30 2.04 -4.69 4.97 5.75 -1.26 -4.83 116.55 114.23 3i3b n ASP 875 Ca -0.03 -2.08 -0.33 0.00 -0.01 0.00 0.00 54.79 52.34 3i3b n ASP 875 Cb 0.19 -0.29 -0.09 0.00 -1.03 0.00 0.00 41.12 39.90 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 -1.60 4.24 0.29 2.12 -1.32 -1.03 -5.06 115.64 113.28 3i3b s THR 876 Ca 0.23 -0.52 -0.29 0.00 -1.21 0.00 0.00 61.69 59.90 3i3b s THR 876 Cb 0.13 -2.88 -0.13 0.00 -1.51 0.00 0.00 72.50 68.11 3i3b s THR 876 CO 0.14 0.42 1.29 -0.81 -2.21 0.00 0.00 174.62 173.44 3i3b n PRO 877 N 1.51 1.94 -1.67 7.08 -0.04 -1.26 -4.83 135.00 137.74 3i3b n PRO 877 Ca -0.15 0.69 -0.47 0.00 -0.04 0.00 0.00 63.50 63.53 3i3b n PRO 877 Cb 0.53 -2.26 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 3i3b n PRO 877 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i3b n HIS 878 N 0.99 2.23 -1.93 0.54 8.25 -1.26 -4.92 115.22 119.11 3i3b n HIS 878 Ca 0.08 0.26 -0.36 0.00 -0.26 0.00 0.00 57.72 57.45 3i3b n HIS 878 Cb 0.33 -2.54 0.04 0.00 1.12 0.00 0.00 29.99 28.94 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 1.30 2.86 0.39 -0.41 0.04 -1.26 -4.88 135.00 133.03 3i3b s PRO 879 Ca 0.81 1.80 0.09 0.00 0.04 0.00 0.00 61.00 63.74 3i3b s PRO 879 Cb -0.70 -1.92 0.79 0.00 0.04 0.00 0.00 34.50 32.71 3i3b s PRO 879 CO 0.40 -1.29 1.93 0.00 0.04 0.00 0.00 177.00 178.08 3i3b h ALA 880 N 0.70 1.52 -2.55 8.56 0.00 -1.89 -3.42 119.26 122.19 3i3b h ALA 880 Ca -0.50 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.30 3i3b h ALA 880 Cb 1.30 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 3i3b h ALA 880 CO 0.54 0.34 0.39 -0.98 0.00 0.00 0.00 179.25 179.55 3i3b s ARG 881 N -4.79 1.08 -0.27 0.00 1.70 -1.23 -0.85 118.95 114.60 3i3b s ARG 881 Ca -0.06 -0.45 -0.02 0.00 -0.47 0.00 0.00 55.73 54.73 3i3b s ARG 881 Cb 0.16 0.46 0.09 0.00 -0.57 0.00 0.00 34.95 35.09 3i3b s ARG 881 CO 0.73 -0.48 0.09 0.42 -1.08 0.00 0.00 175.30 174.98 3i3b s ILE 882 N -3.39 0.49 0.00 4.99 1.01 -0.31 -3.96 121.20 120.04 3i3b s ILE 882 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.74 3i3b s ILE 882 Cb -0.01 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.18 3i3b s ILE 882 CO -0.07 -0.55 0.00 0.61 0.00 0.00 0.00 174.94 174.92 3i3b n GLY 883 N 5.03 2.37 3.31 6.18 0.00 -1.08 -0.41 105.19 120.58 3i3b n GLY 883 Ca -0.05 -0.67 -0.17 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 2.53 0.06 0.99 1.43 0.03 -0.81 118.68 122.91 3i3b s LEU 884 Ca 0.00 -0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 51.99 3i3b s LEU 884 Cb 0.00 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.67 3i3b s LEU 884 CO 0.00 -0.21 0.25 0.54 0.23 0.00 0.00 176.35 177.15 3i3b s ASN 885 N -3.17 -0.02 0.06 2.29 4.22 0.79 -1.60 114.94 117.51 3i3b s ASN 885 Ca 0.19 -0.36 -0.26 0.00 -2.14 0.00 0.00 52.86 50.29 3i3b s ASN 885 Cb -0.00 0.34 0.09 0.00 1.28 0.00 0.00 41.25 42.95 3i3b s ASN 885 CO 0.04 -0.64 0.79 0.00 -2.04 0.00 0.00 177.10 175.26 3i3b s GLN 887 N -3.36 2.61 0.16 0.00 0.74 -1.23 -1.12 119.66 117.46 3i3b s GLN 887 Ca 0.04 -1.34 -0.30 0.00 0.05 0.00 0.00 55.36 53.80 3i3b s GLN 887 Cb -0.01 -3.67 -0.08 0.00 1.10 0.00 0.00 33.01 30.34 3i3b s GLN 887 CO -0.09 -0.84 1.29 -0.51 -0.55 0.00 0.00 175.29 174.59 3i3b s LEU 888 N 1.42 4.40 0.55 3.68 1.43 0.16 0.02 118.68 130.34 3i3b s LEU 888 Ca 0.02 2.30 0.27 0.00 -1.03 0.00 0.00 54.13 55.69 3i3b s LEU 888 Cb -0.21 -3.60 1.57 0.00 0.03 0.00 0.00 46.19 43.98 3i3b s LEU 888 CO 0.03 -0.52 2.15 0.00 0.23 0.00 0.00 176.35 178.24 3i3b h ALA 889 N 5.89 1.48 -2.05 4.21 0.00 -0.54 0.13 119.26 128.37 3i3b h ALA 889 Ca -0.44 -0.06 -0.46 0.00 0.00 0.00 0.00 54.91 53.96 3i3b h ALA 889 Cb 1.21 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.03 3i3b h ALA 889 CO 0.80 0.08 -0.07 -1.14 0.00 0.00 0.00 179.25 178.92 3i3b s GLN 890 N -4.49 2.98 -0.07 0.00 0.74 -1.26 -4.34 119.66 113.23 3i3b s GLN 890 Ca -0.04 -0.50 -0.02 0.00 0.05 0.00 0.00 55.36 54.85 3i3b s GLN 890 Cb 0.15 -2.53 0.03 0.00 1.10 0.00 0.00 33.01 31.76 3i3b s GLN 890 CO 0.58 -0.36 0.04 0.08 -0.55 0.00 0.00 175.29 175.08 3i3b s VAL 891 N -2.61 0.09 0.40 1.34 1.01 -1.26 -2.99 120.40 116.39 3i3b s VAL 891 Ca 0.50 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.80 3i3b s VAL 891 Cb -0.10 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 3i3b s VAL 891 CO 0.38 0.17 0.20 0.00 0.00 0.00 0.00 175.10 175.85 3i3b s ALA 892 N 2.08 3.62 -0.12 5.51 0.00 -1.26 -5.06 121.76 126.54 3i3b s ALA 892 Ca 0.05 -2.06 0.17 0.00 0.00 0.00 0.00 51.96 50.11 3i3b s ALA 892 Cb -0.13 -0.48 -0.13 0.00 0.00 0.00 0.00 23.12 22.38 3i3b s ALA 892 CO -0.04 -0.15 0.85 0.93 0.00 0.00 0.00 175.76 177.35 3i3b h GLU 893 N 1.40 0.00 -5.75 0.00 5.08 -2.00 -3.43 114.58 109.89 3i3b h GLU 893 Ca -0.43 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.44 3i3b h GLU 893 Cb 1.25 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.36 3i3b h GLU 893 CO 0.68 0.30 -0.74 1.03 -1.00 0.00 0.00 179.01 179.28 3i3b s ARG 894 N -2.92 1.42 -0.09 2.33 1.81 -1.26 -1.40 118.95 118.84 3i3b s ARG 894 Ca -0.03 -1.63 -0.01 0.00 -1.72 0.00 0.00 55.73 52.34 3i3b s ARG 894 Cb 0.09 -1.30 0.03 0.00 -0.45 0.00 0.00 34.95 33.31 3i3b s ARG 894 CO 0.81 0.23 -0.04 0.08 -0.68 0.00 0.00 175.30 175.69 3i3b s VAL 895 N -2.82 0.73 -0.06 3.52 1.01 0.61 -4.58 120.40 118.80 3i3b s VAL 895 Ca 0.24 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.17 3i3b s VAL 895 Cb -0.02 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 3i3b s VAL 895 CO 0.09 0.32 -0.18 0.21 0.00 0.00 0.00 175.10 175.53 3i3b s ASN 896 N 1.81 3.66 -0.04 3.32 3.84 -0.85 -1.74 114.94 124.93 3i3b s ASN 896 Ca 0.05 -0.33 -0.27 0.00 0.21 0.00 0.00 52.86 52.52 3i3b s ASN 896 Cb -0.12 -0.87 0.06 0.00 -0.55 0.00 0.00 41.25 39.76 3i3b s ASN 896 CO -0.07 0.29 0.59 -1.66 -2.79 0.00 0.00 177.10 173.47 3i3b s TRP 897 N -0.43 -0.55 -0.47 0.43 -2.14 -0.08 0.38 118.94 116.09 3i3b s TRP 897 Ca 0.05 0.93 -0.10 0.00 2.66 0.00 0.00 56.10 59.64 3i3b s TRP 897 Cb -0.12 0.33 0.11 0.00 -3.10 0.00 0.00 33.47 30.69 3i3b s TRP 897 CO 0.02 -0.55 0.35 -1.17 -2.66 0.00 0.00 176.95 172.93 3i3b s LEU 898 N -1.20 5.63 0.00 -4.66 2.96 0.31 -0.67 118.68 121.05 3i3b s LEU 898 Ca -0.11 -1.78 0.00 0.00 -0.22 0.00 0.00 54.13 52.01 3i3b s LEU 898 Cb -0.01 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.64 3i3b s LEU 898 CO 0.09 -0.68 0.00 0.61 -1.32 0.00 0.00 176.35 175.05 3i3b n GLY 899 N 4.96 -0.58 3.72 7.98 0.00 -0.75 -0.46 105.19 120.07 3i3b n GLY 899 Ca -0.09 -0.59 -0.42 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 4.43 0.00 0.99 1.43 -0.87 -1.79 118.68 122.86 3i3b s LEU 900 Ca 0.00 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 3i3b s LEU 900 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 3i3b s LEU 900 CO 0.00 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 176.86 3i3b n GLY 901 N 2.62 0.73 0.23 -3.19 0.00 -0.63 -4.45 105.19 100.51 3i3b n GLY 901 Ca 0.06 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 -7.30 1.61 0.13 -1.93 -1.25 132.00 123.26 3i3b h PRO 902 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 3i3b h PRO 902 Cb 0.00 0.00 0.05 0.00 0.13 0.00 0.00 31.00 31.18 3i3b h PRO 902 CO 0.00 0.00 0.38 -0.65 -0.23 0.00 0.00 178.00 177.50 3i3b s GLN 903 N -3.32 3.61 0.21 0.86 -0.21 -1.26 -4.99 119.66 114.57 3i3b s GLN 903 Ca 0.06 0.70 -0.31 0.00 0.02 0.00 0.00 55.36 55.83 3i3b s GLN 903 Cb 0.06 -2.12 -0.15 0.00 1.00 0.00 0.00 33.01 31.80 3i3b s GLN 903 CO 0.64 -0.51 1.06 -1.91 -2.12 0.00 0.00 175.29 172.45 3i3b n GLU 904 N -2.62 1.13 -3.71 2.91 2.13 -1.26 -4.90 120.64 114.32 3i3b n GLU 904 Ca 0.05 0.40 -0.12 0.00 0.66 0.00 0.00 57.16 58.15 3i3b n GLU 904 Cb 0.54 -1.82 -0.10 0.00 0.27 0.00 0.00 31.44 30.34 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 -0.27 -0.50 0.30 4.31 2.20 -0.20 -4.92 114.94 115.85 3i3b s ASN 905 Ca 0.68 0.93 0.10 0.00 -0.94 0.00 0.00 52.86 53.62 3i3b s ASN 905 Cb -0.81 0.90 -0.05 0.00 -2.00 0.00 0.00 41.25 39.30 3i3b s ASN 905 CO 0.55 -0.17 -0.03 -0.31 -2.94 0.00 0.00 177.10 174.21 3i3b s TYR 906 N 0.59 2.56 0.30 1.54 1.51 -0.89 -3.80 117.35 119.15 3i3b s TYR 906 Ca -0.03 -0.34 -0.00 0.00 -1.01 0.00 0.00 57.07 55.69 3i3b s TYR 906 Cb -0.05 -1.30 0.69 0.00 -0.11 0.00 0.00 41.96 41.19 3i3b s TYR 906 CO -0.04 0.57 1.58 -1.35 -1.11 0.00 0.00 175.55 175.20 3i3b h PRO 907 N 1.91 0.03 -0.62 -1.71 0.11 -1.85 0.62 132.00 130.48 3i3b h PRO 907 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3i3b h PRO 907 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i3b h PRO 907 CO 0.63 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 3i3b n ASP 908 N -5.47 3.73 -2.92 -2.05 5.75 -1.26 -4.39 116.55 109.93 3i3b n ASP 908 Ca 0.21 -2.28 -0.14 0.00 -0.01 0.00 0.00 54.79 52.58 3i3b n ASP 908 Cb 0.70 -0.49 0.02 0.00 -1.03 0.00 0.00 41.12 40.32 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 0.94 0.86 -0.05 0.11 0.63 0.21 0.34 116.66 119.69 3i3b n ARG 909 Ca 0.20 -2.41 0.00 0.00 -0.92 0.00 0.00 57.85 54.73 3i3b n ARG 909 Cb 0.68 -1.34 0.00 0.00 0.45 0.00 0.00 32.46 32.26 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 0.30 0.13 6.15 -0.00 -0.93 -2.08 117.00 121.59 3i3b n LEU 910 Ca 0.14 -0.41 0.02 0.00 -0.00 0.00 0.00 56.01 55.75 3i3b n LEU 910 Cb 0.63 -0.01 0.36 0.00 -0.00 0.00 0.00 43.42 44.40 3i3b n LEU 910 CO 0.10 0.10 0.83 0.71 -0.00 0.00 0.00 177.39 179.13 3i3b h THR 911 N 2.97 1.21 0.00 1.47 1.35 -1.92 -2.82 112.91 115.18 3i3b h THR 911 Ca 0.00 -0.97 -0.12 0.00 -0.55 0.00 0.00 66.41 64.78 3i3b h THR 911 Cb 0.98 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 3i3b h THR 911 CO 0.00 0.29 -0.57 0.00 -0.25 0.00 0.00 175.52 174.99 3i3b h ALA 912 N 1.60 0.85 -2.48 6.62 0.00 -1.87 -3.45 119.26 120.53 3i3b h ALA 912 Ca 0.03 -0.52 -0.50 0.00 0.00 0.00 0.00 54.91 53.92 3i3b h ALA 912 Cb 0.48 -0.09 0.09 0.00 0.00 0.00 0.00 17.79 18.27 3i3b h ALA 912 CO 0.03 0.71 0.39 0.00 0.00 0.00 0.00 179.25 180.38 3i3b s ALA 913 N -3.38 2.55 -0.00 0.00 0.00 -1.06 -5.00 121.76 114.86 3i3b s ALA 913 Ca 0.00 0.60 0.06 0.00 0.00 0.00 0.00 51.96 52.62 3i3b s ALA 913 Cb 0.11 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 3i3b s ALA 913 CO 0.74 -1.11 -0.20 0.00 0.00 0.00 0.00 175.76 175.19 3i3b s PHE 915 N -0.54 3.36 -0.01 0.00 5.36 -1.26 -1.60 117.98 123.29 3i3b s PHE 915 Ca 0.08 1.39 -0.10 0.00 -0.96 0.00 0.00 56.93 57.34 3i3b s PHE 915 Cb -0.08 -3.32 0.03 0.00 -0.34 0.00 0.00 43.02 39.32 3i3b s PHE 915 CO -0.00 -0.83 0.47 -3.47 -1.46 0.00 0.00 175.22 169.92 3i3b n ASP 916 N 4.94 -0.44 -4.60 6.13 -0.08 -0.74 -4.93 116.55 116.83 3i3b n ASP 916 Ca 0.10 -1.09 -0.40 0.00 -1.51 0.00 0.00 54.79 51.88 3i3b n ASP 916 Cb 0.47 0.68 -0.08 0.00 2.34 0.00 0.00 41.12 44.54 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 -2.01 3.97 0.09 -0.67 6.06 -1.26 -1.80 118.95 123.33 3i3b s ARG 917 Ca 0.11 0.16 0.09 0.00 -2.50 0.00 0.00 55.73 53.60 3i3b s ARG 917 Cb -0.00 -3.68 -0.04 0.00 0.06 0.00 0.00 34.95 31.29 3i3b s ARG 917 CO -0.00 -0.39 -0.22 -1.58 -2.50 0.00 0.00 175.30 170.61 3i3b s TRP 918 N 2.27 2.44 -0.13 5.12 0.52 0.16 -4.98 118.94 124.33 3i3b s TRP 918 Ca 0.19 -0.32 -0.04 0.00 0.02 0.00 0.00 56.10 55.95 3i3b s TRP 918 Cb -0.16 -1.36 0.07 0.00 -1.15 0.00 0.00 33.47 30.87 3i3b s TRP 918 CO 0.10 0.28 0.21 0.34 0.02 0.00 0.00 176.95 177.91 3i3b s ASP 919 N -1.74 0.81 0.10 2.95 -1.08 -1.26 -0.90 116.67 115.55 3i3b s ASP 919 Ca 0.15 0.26 -0.01 0.00 -0.52 0.00 0.00 52.55 52.43 3i3b s ASP 919 Cb -0.10 0.44 -0.04 0.00 -1.46 0.00 0.00 42.92 41.76 3i3b s ASP 919 CO 0.06 -0.27 0.01 -0.76 0.52 0.00 0.00 175.17 174.74 3i3b s LEU 920 N 2.34 2.11 0.57 -1.34 1.43 -0.71 -4.97 118.68 118.11 3i3b s LEU 920 Ca 0.04 -1.12 -0.18 0.00 -1.03 0.00 0.00 54.13 51.84 3i3b s LEU 920 Cb -0.13 0.21 -0.05 0.00 0.03 0.00 0.00 46.19 46.25 3i3b s LEU 920 CO -0.08 -0.65 1.08 -2.16 0.23 0.00 0.00 176.35 174.76 3i3b s PRO 921 N -3.98 3.36 0.30 1.29 0.04 -1.26 -0.28 135.00 134.47 3i3b s PRO 921 Ca 0.17 1.37 0.06 0.00 0.04 0.00 0.00 61.00 62.64 3i3b s PRO 921 Cb 0.07 -2.03 0.81 0.00 0.04 0.00 0.00 34.50 33.40 3i3b s PRO 921 CO -0.03 -0.80 1.67 1.25 0.04 0.00 0.00 177.00 179.13 3i3b h LEU 922 N 0.82 0.26 -1.15 -3.56 5.85 -1.50 -1.30 115.31 114.73 3i3b h LEU 922 Ca -0.48 0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.53 3i3b h LEU 922 Cb 1.23 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.37 3i3b h LEU 922 CO 0.57 -0.09 0.60 0.77 -0.34 0.00 0.00 178.44 179.95 3i3b h SER 923 N 0.31 0.82 0.50 1.25 4.64 -1.91 -0.43 113.55 118.74 3i3b h SER 923 Ca 0.60 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 3i3b h SER 923 Cb 1.23 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3i3b h SER 923 CO -0.60 0.46 0.00 0.47 -0.87 0.00 0.00 176.83 176.29 3i3b n ASP 924 N -4.56 0.35 -0.49 4.97 8.00 -0.49 -1.96 116.55 122.37 3i3b n ASP 924 Ca 0.17 0.60 0.04 0.00 0.71 0.00 0.00 54.79 56.31 3i3b n ASP 924 Cb 0.35 -0.67 0.11 0.00 -0.02 0.00 0.00 41.12 40.89 3i3b n ASP 924 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3i3b n MET 925 N -1.91 1.63 -4.18 -1.24 2.81 -0.17 -4.72 117.12 109.35 3i3b n MET 925 Ca 0.02 -0.86 -0.21 0.00 -1.81 0.00 0.00 57.70 54.84 3i3b n MET 925 Cb 0.16 -1.25 -0.16 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.67 0.87 -0.29 2.03 5.04 -0.83 -4.43 117.35 118.07 3i3b s TYR 926 Ca 0.16 -0.27 -0.12 0.00 -2.44 0.00 0.00 57.07 54.39 3i3b s TYR 926 Cb 0.09 -0.76 -0.04 0.00 0.35 0.00 0.00 41.96 41.60 3i3b s TYR 926 CO 0.10 -0.23 0.24 0.99 -1.34 0.00 0.00 175.55 175.31 3i3b s THR 927 N 1.00 5.27 -0.53 4.34 2.01 -1.26 -4.96 115.64 121.51 3i3b s THR 927 Ca -0.10 0.19 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 3i3b s THR 927 Cb -0.14 -3.61 -0.13 0.00 0.01 0.00 0.00 72.50 68.63 3i3b s THR 927 CO -0.00 0.17 2.53 -0.81 -0.69 0.00 0.00 174.62 175.82 3i3b n PRO 928 N 5.14 1.95 -1.76 4.92 -0.04 -1.26 -4.88 135.00 139.07 3i3b n PRO 928 Ca -0.12 -1.16 -0.42 0.00 -0.04 0.00 0.00 63.50 61.76 3i3b n PRO 928 Cb 0.51 -2.18 -0.03 0.00 -0.04 0.00 0.00 33.50 31.77 3i3b n PRO 928 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3i3b s TYR 929 N 2.28 2.87 0.24 0.54 2.02 -1.26 -4.86 117.35 119.17 3i3b s TYR 929 Ca 0.48 0.49 -0.05 0.00 -0.37 0.00 0.00 57.07 57.62 3i3b s TYR 929 Cb 0.18 -4.11 0.43 0.00 -0.40 0.00 0.00 41.96 38.07 3i3b s TYR 929 CO -0.02 -4.04 1.71 0.28 -1.57 0.00 0.00 175.55 171.91 3i3b h VAL 930 N 3.70 0.61 -3.31 0.71 2.07 -1.96 -3.24 116.25 114.82 3i3b h VAL 930 Ca -0.44 -0.12 -0.69 0.00 0.82 0.00 0.00 66.70 66.26 3i3b h VAL 930 Cb 1.21 0.22 -0.19 0.00 -1.52 0.00 0.00 31.29 31.01 3i3b h VAL 930 CO 0.91 0.07 -0.03 0.12 0.02 0.00 0.00 177.57 178.65 3i3b s PHE 931 N -6.04 3.09 0.46 1.57 5.36 -1.26 -1.04 117.98 120.12 3i3b s PHE 931 Ca -0.13 -0.55 -0.23 0.00 -0.96 0.00 0.00 56.93 55.07 3i3b s PHE 931 Cb 0.20 -3.40 -0.09 0.00 -0.34 0.00 0.00 43.02 39.39 3i3b s PHE 931 CO 0.76 -0.95 1.03 -2.30 -1.46 0.00 0.00 175.22 172.30 3i3b n PRO 932 N 5.97 1.34 -3.87 10.12 -0.02 -1.22 -4.98 135.00 142.34 3i3b n PRO 932 Ca -0.07 0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 61.89 3i3b n PRO 932 Cb 0.45 -2.12 0.01 0.00 -0.02 0.00 0.00 33.50 31.83 3i3b n PRO 932 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3i3b s SER 933 N -0.81 -0.02 0.27 2.55 1.04 -1.26 -4.75 113.70 110.71 3i3b s SER 933 Ca 0.65 -0.44 -0.29 0.00 0.48 0.00 0.00 55.95 56.35 3i3b s SER 933 Cb -0.52 0.35 -0.14 0.00 0.10 0.00 0.00 66.02 65.81 3i3b s SER 933 CO 0.55 -0.68 1.14 1.21 0.98 0.00 0.00 173.24 176.44 3i3b n GLU 934 N -0.72 1.53 -3.80 4.02 4.07 -0.66 -4.94 120.64 120.15 3i3b n GLU 934 Ca -0.02 0.54 -0.05 0.00 -0.06 0.00 0.00 57.16 57.57 3i3b n GLU 934 Cb 0.60 -2.01 -0.01 0.00 -0.06 0.00 0.00 31.44 29.96 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 -0.29 -0.17 0.00 4.31 2.20 -1.26 -4.92 114.94 114.81 3i3b s ASN 935 Ca 0.62 -0.56 0.00 0.00 -0.94 0.00 0.00 52.86 51.99 3i3b s ASN 935 Cb -0.70 0.59 0.00 0.00 -2.00 0.00 0.00 41.25 39.14 3i3b s ASN 935 CO 0.57 -1.11 0.00 0.61 -2.94 0.00 0.00 177.10 174.23 3i3b n GLY 936 N -0.49 0.51 3.65 0.45 0.00 -1.26 -4.83 105.19 103.22 3i3b n GLY 936 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3i3b n GLY 936 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i3b n LEU 937 N 0.00 3.85 -3.78 0.99 7.94 -1.25 -4.58 117.00 120.16 3i3b n LEU 937 Ca 0.00 0.60 -0.14 0.00 -1.11 0.00 0.00 56.01 55.35 3i3b n LEU 937 Cb 0.04 -1.46 -0.15 0.00 0.53 0.00 0.00 43.42 42.38 3i3b n LEU 937 CO 0.00 -1.92 -0.33 -0.13 -1.11 0.00 0.00 177.39 173.90 3i3b s ARG 938 N -3.84 -0.01 0.58 1.96 3.00 0.34 -1.04 118.95 119.94 3i3b s ARG 938 Ca 0.72 0.20 0.08 0.00 0.00 0.00 0.00 55.73 56.73 3i3b s ARG 938 Cb -0.30 -0.20 0.08 0.00 0.00 0.00 0.00 34.95 34.52 3i3b s ARG 938 CO 0.52 -0.14 0.65 0.00 0.00 0.00 0.00 175.30 176.32 3i3b n GLY 940 N -2.08 -0.48 3.69 0.00 0.00 -1.20 -2.04 105.19 103.07 3i3b n GLY 940 Ca 0.09 0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.96 5.10 -0.11 2.61 2.01 0.04 -3.77 115.64 118.57 3i3b s THR 941 Ca 0.43 1.08 0.18 0.00 0.31 0.00 0.00 61.69 63.69 3i3b s THR 941 Cb -0.23 -3.89 -0.27 0.00 0.01 0.00 0.00 72.50 68.13 3i3b s THR 941 CO 0.53 0.22 0.43 0.54 -0.69 0.00 0.00 174.62 175.65 3i3b n ARG 942 N 4.35 0.62 -3.70 4.92 5.12 0.39 -0.92 116.66 127.44 3i3b n ARG 942 Ca -0.04 -0.14 -0.11 0.00 -1.93 0.00 0.00 57.85 55.62 3i3b n ARG 942 Cb 0.51 -1.41 -0.10 0.00 -1.16 0.00 0.00 32.46 30.29 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 -3.17 0.45 -0.07 5.56 2.12 -1.18 -1.62 118.70 120.79 3i3b s GLU 943 Ca -0.05 0.75 0.02 0.00 0.36 0.00 0.00 54.97 56.05 3i3b s GLU 943 Cb 0.12 0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.60 3i3b s GLU 943 CO 0.74 -0.13 -0.12 -1.17 -0.54 0.00 0.00 175.26 174.05 3i3b s LEU 944 N 1.02 1.58 -0.10 2.70 2.96 0.14 -0.53 118.68 126.45 3i3b s LEU 944 Ca -0.06 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.58 3i3b s LEU 944 Cb -0.06 -0.84 -0.00 0.00 0.50 0.00 0.00 46.19 45.78 3i3b s LEU 944 CO -0.09 0.01 -0.23 0.20 -1.32 0.00 0.00 176.35 174.92 3i3b s ASN 945 N 0.84 3.13 -0.21 3.68 0.01 0.16 -0.91 114.94 121.63 3i3b s ASN 945 Ca -0.11 -0.55 -0.04 0.00 -0.71 0.00 0.00 52.86 51.44 3i3b s ASN 945 Cb -0.15 -1.42 0.11 0.00 0.41 0.00 0.00 41.25 40.20 3i3b s ASN 945 CO 0.02 0.16 0.37 -0.47 -1.51 0.00 0.00 177.10 175.66 3i3b s TYR 946 N 0.34 -0.74 0.00 2.20 5.04 -0.51 -2.02 117.35 121.67 3i3b s TYR 946 Ca -0.19 1.03 0.00 0.00 -2.44 0.00 0.00 57.07 55.47 3i3b s TYR 946 Cb -0.18 0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.21 3i3b s TYR 946 CO 0.09 -0.59 0.00 0.41 -1.34 0.00 0.00 175.55 174.11 3i3b n GLY 947 N 5.37 3.81 1.11 8.97 0.00 -1.26 -1.02 105.19 122.16 3i3b n GLY 947 Ca -0.06 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 13.66 2.45 -3.69 1.61 -0.04 -1.26 -4.91 135.00 142.81 3i3b n PRO 948 Ca 0.00 -2.19 -0.30 0.00 -0.04 0.00 0.00 63.50 60.97 3i3b n PRO 948 Cb 0.00 -1.51 -0.04 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 -1.54 3.48 -0.11 0.54 3.76 -0.19 0.92 115.29 122.15 3i3b s HIS 949 Ca 0.38 0.47 -0.06 0.00 -0.15 0.00 0.00 55.06 55.70 3i3b s HIS 949 Cb 0.22 -1.94 0.05 0.00 1.11 0.00 0.00 32.58 32.02 3i3b s HIS 949 CO 0.31 0.43 0.27 -1.14 -0.85 0.00 0.00 174.74 173.75 3i3b s GLN 950 N -2.85 0.23 -0.06 1.40 0.74 -0.79 -1.43 119.66 116.90 3i3b s GLN 950 Ca 0.40 0.56 0.06 0.00 0.05 0.00 0.00 55.36 56.43 3i3b s GLN 950 Cb -0.12 -0.11 -0.01 0.00 1.10 0.00 0.00 33.01 33.87 3i3b s GLN 950 CO 0.26 -0.16 -0.24 -1.58 -0.55 0.00 0.00 175.29 173.02 3i3b s TRP 951 N 1.28 2.47 0.09 1.67 0.51 -0.09 -1.71 118.94 123.16 3i3b s TRP 951 Ca -0.09 -0.73 0.07 0.00 -2.12 0.00 0.00 56.10 53.22 3i3b s TRP 951 Cb -0.10 -1.62 -0.03 0.00 -0.81 0.00 0.00 33.47 30.91 3i3b s TRP 951 CO -0.09 -0.22 -0.18 1.03 -0.51 0.00 0.00 176.95 176.98 3i3b s ARG 952 N -0.12 0.99 0.00 4.98 0.52 -0.30 -0.69 118.95 124.34 3i3b s ARG 952 Ca -0.05 -1.09 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 3i3b s ARG 952 Cb -0.14 -1.12 0.00 0.00 0.52 0.00 0.00 34.95 34.21 3i3b s ARG 952 CO 0.04 0.25 0.00 0.41 0.02 0.00 0.00 175.30 176.02 3i3b n GLY 953 N 1.11 -0.26 2.59 -3.53 0.00 -0.64 -1.06 105.19 103.40 3i3b n GLY 953 Ca -0.20 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 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 2.03 0.29 1.61 2.15 -1.25 -4.02 116.67 113.49 3i3b s ASP 954 Ca 0.00 -1.98 0.07 0.00 0.43 0.00 0.00 52.55 51.07 3i3b s ASP 954 Cb 0.00 0.05 -0.03 0.00 -0.30 0.00 0.00 42.92 42.64 3i3b s ASP 954 CO 0.00 -0.27 0.25 2.22 -0.17 0.00 0.00 175.17 177.19 3i3b n PHE 955 N 4.03 -0.69 -4.41 -5.34 1.16 -0.10 -4.87 117.46 107.25 3i3b n PHE 955 Ca 0.13 -2.45 -0.25 0.00 -1.87 0.00 0.00 57.45 53.01 3i3b n PHE 955 Cb 0.41 0.25 -0.11 0.00 -1.61 0.00 0.00 39.48 38.42 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 1.49 0.18 3.97 -1.52 -0.21 -0.78 119.66 119.61 3i3b s GLN 956 Ca 0.35 -1.54 -0.23 0.00 -1.95 0.00 0.00 55.36 51.98 3i3b s GLN 956 Cb 0.02 -1.72 0.05 0.00 -0.22 0.00 0.00 33.01 31.14 3i3b s GLN 956 CO 0.25 0.36 0.75 -0.59 -0.25 0.00 0.00 175.29 175.80 3i3b s PHE 957 N -1.89 -0.31 -0.03 0.91 -0.71 -0.44 -0.04 117.98 115.47 3i3b s PHE 957 Ca 0.21 0.00 -0.16 0.00 -1.04 0.00 0.00 56.93 55.95 3i3b s PHE 957 Cb -0.07 0.63 0.03 0.00 -1.21 0.00 0.00 43.02 42.39 3i3b s PHE 957 CO 0.10 -0.95 0.34 0.54 -1.34 0.00 0.00 175.22 173.91 3i3b s ASN 958 N -2.81 -0.24 -0.11 1.98 2.20 -0.72 -0.51 114.94 114.73 3i3b s ASN 958 Ca 0.07 0.18 -0.06 0.00 -0.94 0.00 0.00 52.86 52.11 3i3b s ASN 958 Cb -0.03 0.36 0.04 0.00 -2.00 0.00 0.00 41.25 39.63 3i3b s ASN 958 CO -0.02 -0.43 0.27 -0.51 -2.94 0.00 0.00 177.10 173.47 3i3b s ILE 959 N -1.18 -0.03 0.18 0.54 2.07 -1.26 -1.45 121.20 120.07 3i3b s ILE 959 Ca -0.12 0.12 -0.22 0.00 -1.41 0.00 0.00 60.65 59.01 3i3b s ILE 959 Cb -0.05 -0.41 0.08 0.00 0.13 0.00 0.00 42.46 42.21 3i3b s ILE 959 CO 0.04 0.05 1.05 -0.94 -1.91 0.00 0.00 174.94 173.23 3i3b s SER 960 N 1.09 0.01 0.00 4.50 1.04 -0.52 -4.62 113.70 115.20 3i3b s SER 960 Ca -0.08 -0.66 0.12 0.00 0.48 0.00 0.00 55.95 55.81 3i3b s SER 960 Cb -0.09 0.48 0.38 0.00 0.10 0.00 0.00 66.02 66.90 3i3b s SER 960 CO -0.08 -0.96 1.30 0.54 0.98 0.00 0.00 173.24 175.02 3i3b n ARG 961 N -0.72 1.71 -4.27 4.02 5.12 -1.26 0.46 116.66 121.71 3i3b n ARG 961 Ca -0.02 -1.09 -0.31 0.00 -1.93 0.00 0.00 57.85 54.49 3i3b n ARG 961 Cb 0.59 -1.27 -0.16 0.00 -1.16 0.00 0.00 32.46 30.46 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 -1.63 2.48 0.62 -1.55 2.02 -1.26 -0.33 117.35 117.69 3i3b s TYR 962 Ca 0.23 -1.37 -0.14 0.00 -0.37 0.00 0.00 57.07 55.42 3i3b s TYR 962 Cb 0.12 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.91 3i3b s TYR 962 CO 0.17 -0.68 1.05 -1.54 -1.57 0.00 0.00 175.55 172.97 3i3b s SER 963 N 1.19 5.77 0.56 2.29 1.04 -1.26 -4.85 113.70 118.43 3i3b s SER 963 Ca 0.01 1.72 0.23 0.00 0.48 0.00 0.00 55.95 58.39 3i3b s SER 963 Cb -0.14 -2.52 1.54 0.00 0.10 0.00 0.00 66.02 65.01 3i3b s SER 963 CO -0.08 -1.18 2.18 1.56 0.98 0.00 0.00 173.24 176.70 3i3b h GLN 964 N 0.13 0.00 -0.32 4.02 1.08 -1.99 -1.64 115.11 116.39 3i3b h GLN 964 Ca -0.46 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.63 3i3b h GLN 964 Cb 1.21 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.64 3i3b h GLN 964 CO 0.58 0.00 -0.26 0.37 -0.95 0.00 0.00 178.83 178.57 3i3b h GLN 965 N 0.00 0.73 -0.22 1.46 4.15 -1.98 -2.02 115.11 117.22 3i3b h GLN 965 Ca 0.02 -0.37 -0.09 0.00 0.77 0.00 0.00 58.65 58.98 3i3b h GLN 965 Cb 0.09 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 3i3b h GLN 965 CO -0.00 0.98 -0.23 0.37 -1.93 0.00 0.00 178.83 178.03 3i3b h GLN 966 N 0.49 0.55 -0.62 1.69 4.15 -1.69 -2.30 115.11 117.38 3i3b h GLN 966 Ca 0.06 -0.29 0.03 0.00 0.77 0.00 0.00 58.65 59.22 3i3b h GLN 966 Cb 0.82 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.48 3i3b h GLN 966 CO 0.07 0.88 0.37 -0.07 -1.93 0.00 0.00 178.83 178.15 3i3b h LEU 967 N 0.24 0.60 -1.76 -2.39 3.38 -1.44 -0.78 115.31 113.16 3i3b h LEU 967 Ca 0.04 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3i3b h LEU 967 Cb 0.78 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3i3b h LEU 967 CO 0.06 0.41 -0.15 -0.03 0.09 0.00 0.00 178.44 178.82 3i3b h MET 968 N 0.73 0.00 -0.03 1.13 4.05 -1.30 -2.99 114.93 116.52 3i3b h MET 968 Ca 0.26 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.68 3i3b h MET 968 Cb 0.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 3i3b h MET 968 CO -0.12 0.15 -0.01 0.39 0.23 0.00 0.00 176.91 177.55 3i3b n GLU 969 N -4.23 1.86 -4.03 0.39 1.02 -0.74 -4.90 120.64 110.01 3i3b n GLU 969 Ca -0.02 -1.72 -0.34 0.00 -0.02 0.00 0.00 57.16 55.06 3i3b n GLU 969 Cb 0.22 -1.40 -0.15 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.73 2.90 -0.23 2.62 2.01 -0.38 -5.01 115.64 115.83 3i3b s THR 970 Ca 0.24 -0.66 0.20 0.00 0.31 0.00 0.00 61.69 61.79 3i3b s THR 970 Cb 0.17 -2.29 0.22 0.00 0.01 0.00 0.00 72.50 70.61 3i3b s THR 970 CO 0.26 0.47 1.59 0.77 -0.69 0.00 0.00 174.62 177.02 3i3b h SER 971 N 7.97 0.00 -4.14 3.53 4.64 -1.90 -3.36 113.55 120.29 3i3b h SER 971 Ca -0.42 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.40 3i3b h SER 971 Cb 1.16 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.95 3i3b h SER 971 CO 0.61 0.23 -0.82 -1.00 -0.87 0.00 0.00 176.83 174.99 3i3b s HIS 972 N -3.18 1.35 0.29 4.77 3.76 -1.26 -4.30 115.29 116.72 3i3b s HIS 972 Ca 0.05 -0.29 -0.02 0.00 -0.15 0.00 0.00 55.06 54.65 3i3b s HIS 972 Cb 0.07 -0.89 0.42 0.00 1.11 0.00 0.00 32.58 33.29 3i3b s HIS 972 CO 0.69 -0.05 1.94 0.07 -0.85 0.00 0.00 174.74 176.54 3i3b h ARG 973 N 5.91 1.12 0.00 1.40 0.11 -1.31 -2.16 114.38 119.45 3i3b h ARG 973 Ca -0.34 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 59.67 3i3b h ARG 973 Cb 1.16 -0.25 0.00 0.00 1.11 0.00 0.00 29.97 31.99 3i3b h ARG 973 CO 0.49 0.74 0.00 -2.39 0.10 0.00 0.00 179.97 178.91 3i3b n HIS 974 N -4.43 0.41 1.20 4.08 1.44 -1.26 -1.61 115.22 115.05 3i3b n HIS 974 Ca 0.11 0.18 0.13 0.00 -2.01 0.00 0.00 57.72 56.13 3i3b n HIS 974 Cb 0.07 -0.80 0.26 0.00 0.12 0.00 0.00 29.99 29.65 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 -1.89 1.93 -4.78 2.39 4.77 -0.81 -4.94 117.00 113.68 3i3b n LEU 975 Ca 0.01 -0.64 -0.37 0.00 -0.03 0.00 0.00 56.01 54.98 3i3b n LEU 975 Cb 0.11 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3i3b n LEU 975 CO 0.11 0.34 0.74 -0.76 -1.33 0.00 0.00 177.39 176.49 3i3b s LEU 976 N -2.21 4.22 -0.03 2.23 1.43 -0.63 -5.06 118.68 118.63 3i3b s LEU 976 Ca 0.28 2.07 0.04 0.00 -1.03 0.00 0.00 54.13 55.49 3i3b s LEU 976 Cb 0.20 -4.08 -0.01 0.00 0.03 0.00 0.00 46.19 42.33 3i3b s LEU 976 CO 0.42 -0.42 -0.15 -1.38 0.23 0.00 0.00 176.35 175.05 3i3b s HIS 977 N -1.57 1.47 0.11 0.29 -3.43 -1.26 -5.10 115.29 105.79 3i3b s HIS 977 Ca 0.55 -0.35 -0.31 0.00 -0.80 0.00 0.00 55.06 54.15 3i3b s HIS 977 Cb -0.23 -0.98 -0.09 0.00 -1.43 0.00 0.00 32.58 29.85 3i3b s HIS 977 CO 0.30 -0.09 1.66 0.00 -2.00 0.00 0.00 174.74 174.61 3i3b s ALA 978 N -0.12 3.73 0.43 -1.38 0.00 -1.26 -4.83 121.76 118.33 3i3b s ALA 978 Ca 0.01 1.30 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 3i3b s ALA 978 Cb -0.09 -3.69 -0.06 0.00 0.00 0.00 0.00 23.12 19.28 3i3b s ALA 978 CO 0.01 -1.03 0.80 -1.21 0.00 0.00 0.00 175.76 174.32 3i3b s GLU 979 N 2.20 3.77 0.29 0.00 2.02 0.55 -5.01 118.70 122.52 3i3b s GLU 979 Ca 0.74 0.50 -0.30 0.00 0.02 0.00 0.00 54.97 55.93 3i3b s GLU 979 Cb -0.42 -2.36 -0.12 0.00 0.10 0.00 0.00 34.13 31.33 3i3b s GLU 979 CO 0.33 -0.09 1.51 -1.91 0.02 0.00 0.00 175.26 175.12 3i3b n GLU 980 N -1.46 2.47 0.00 1.61 2.13 -1.26 -4.66 120.64 119.47 3i3b n GLU 980 Ca 0.03 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.72 3i3b n GLU 980 Cb 0.54 -2.60 0.00 0.00 0.27 0.00 0.00 31.44 29.65 3i3b n GLU 980 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i3b n GLY 981 N 1.92 -0.96 2.87 8.31 0.00 -1.26 -4.87 105.19 111.20 3i3b n GLY 981 Ca 0.09 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 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 0.44 -0.13 2.61 2.01 0.03 -4.70 115.64 115.89 3i3b s THR 982 Ca 0.00 -0.06 -0.22 0.00 0.31 0.00 0.00 61.69 61.72 3i3b s THR 982 Cb 0.00 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 3i3b s THR 982 CO 0.00 0.20 0.66 0.26 -0.69 0.00 0.00 174.62 175.05 3i3b s TRP 983 N 0.96 3.48 -0.11 4.92 0.52 0.17 0.38 118.94 129.26 3i3b s TRP 983 Ca -0.11 1.08 0.03 0.00 0.02 0.00 0.00 56.10 57.12 3i3b s TRP 983 Cb -0.14 -2.79 -0.00 0.00 -1.15 0.00 0.00 33.47 29.39 3i3b s TRP 983 CO -0.00 -0.03 -0.21 -1.17 0.02 0.00 0.00 176.95 175.55 3i3b s LEU 984 N 1.34 2.26 -0.20 2.99 2.96 -0.27 -1.44 118.68 126.31 3i3b s LEU 984 Ca 0.33 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 3i3b s LEU 984 Cb -0.16 -1.47 0.04 0.00 0.50 0.00 0.00 46.19 45.10 3i3b s LEU 984 CO 0.13 0.15 -0.12 0.20 -1.32 0.00 0.00 176.35 175.39 3i3b s ASN 985 N 0.43 3.52 -0.20 3.68 0.01 -0.53 -1.96 114.94 119.89 3i3b s ASN 985 Ca -0.15 -0.93 -0.00 0.00 -0.71 0.00 0.00 52.86 51.07 3i3b s ASN 985 Cb -0.17 -1.33 0.01 0.00 0.41 0.00 0.00 41.25 40.17 3i3b s ASN 985 CO 0.06 -0.13 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.75 3i3b s ILE 986 N 1.33 2.48 -0.08 0.60 1.01 -0.63 -1.76 121.20 124.14 3i3b s ILE 986 Ca -0.01 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.80 3i3b s ILE 986 Cb -0.16 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 3i3b s ILE 986 CO -0.09 0.47 -0.09 -1.81 0.00 0.00 0.00 174.94 173.42 3i3b s ASP 987 N 1.34 4.41 0.11 3.58 1.01 0.95 -0.79 116.67 127.28 3i3b s ASP 987 Ca 0.04 -0.12 -0.07 0.00 0.71 0.00 0.00 52.55 53.12 3i3b s ASP 987 Cb -0.14 -1.22 -0.14 0.00 1.01 0.00 0.00 42.92 42.44 3i3b s ASP 987 CO -0.10 0.31 1.27 1.23 0.21 0.00 0.00 175.17 178.09 3i3b h GLY 988 N 5.65 0.53 -4.78 0.21 0.00 -1.03 -0.53 103.07 103.13 3i3b h GLY 988 Ca -0.43 -0.94 -0.16 0.00 0.00 0.00 0.00 47.33 45.80 3i3b h GLY 988 CO 0.53 0.83 -0.63 -1.36 0.00 0.00 0.00 176.54 175.92 3i3b s PHE 989 N -3.25 0.21 -0.06 5.60 0.40 -0.82 -4.70 117.98 115.36 3i3b s PHE 989 Ca -0.07 -0.45 -0.04 0.00 -0.60 0.00 0.00 56.93 55.78 3i3b s PHE 989 Cb 0.08 -0.16 0.03 0.00 0.51 0.00 0.00 43.02 43.48 3i3b s PHE 989 CO 0.88 -0.24 0.15 -1.58 0.70 0.00 0.00 175.22 175.14 3i3b s HIS 990 N -1.62 -0.17 0.67 0.36 2.46 -1.26 -1.16 115.29 114.57 3i3b s HIS 990 Ca -0.14 0.46 -0.15 0.00 0.47 0.00 0.00 55.06 55.70 3i3b s HIS 990 Cb -0.08 -0.01 0.01 0.00 -0.13 0.00 0.00 32.58 32.36 3i3b s HIS 990 CO -0.01 -0.13 1.14 1.41 -2.47 0.00 0.00 174.74 174.68 3i3b s MET 991 N 0.69 2.64 0.92 2.88 1.75 -0.03 -4.76 119.30 123.39 3i3b s MET 991 Ca -0.05 1.50 -0.11 0.00 -1.25 0.00 0.00 55.69 55.78 3i3b s MET 991 Cb -0.07 -1.92 0.14 0.00 2.84 0.00 0.00 34.83 35.82 3i3b s MET 991 CO -0.03 -1.39 1.10 0.20 -0.65 0.00 0.00 175.02 174.24 3i3b s GLY 992 N -2.39 1.64 0.07 2.11 0.00 -0.57 -4.75 107.32 103.42 3i3b s GLY 992 Ca 0.69 0.18 0.22 0.00 0.00 0.00 0.00 44.72 45.81 3i3b s GLY 992 CO 0.42 0.65 0.85 0.29 0.00 0.00 0.00 173.10 175.31 3i3b n ILE 993 N -4.07 0.26 -4.71 0.90 -5.35 -1.26 -4.93 119.36 100.20 3i3b n ILE 993 Ca 0.08 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 3i3b n ILE 993 Cb 0.54 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 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 1.27 -0.46 0.00 3.28 0.00 -1.26 -4.75 105.19 103.28 3i3b n GLY 994 Ca -0.01 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 0.39 0.60 -0.02 0.00 -1.26 -1.25 105.19 103.66 3i3b n GLY 995 Ca 0.00 0.00 0.43 0.00 0.00 0.00 0.00 46.02 46.45 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 0.03 -4.80 1.61 3.32 -1.81 -1.02 116.42 113.75 3i3b h ASP 996 Ca 0.00 0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.17 3i3b h ASP 996 Cb 0.00 0.01 -0.14 0.00 0.22 0.00 0.00 39.33 39.42 3i3b h ASP 996 CO 0.00 -0.01 0.46 1.51 -1.72 0.00 0.00 179.24 179.49 3i3b s ASP 997 N -4.58 -0.35 -0.24 6.45 1.47 -1.26 -4.09 116.67 114.07 3i3b s ASP 997 Ca -0.05 -0.08 0.12 0.00 1.18 0.00 0.00 52.55 53.72 3i3b s ASP 997 Cb 0.25 0.42 0.49 0.00 -0.34 0.00 0.00 42.92 43.75 3i3b s ASP 997 CO 0.85 -0.71 1.41 -1.20 0.68 0.00 0.00 175.17 176.20 3i3b n SER 998 N -0.30 2.77 -0.43 2.11 7.64 -1.26 -4.58 113.62 119.57 3i3b n SER 998 Ca -0.09 -3.54 0.04 0.00 1.01 0.00 0.00 58.87 56.30 3i3b n SER 998 Cb 0.62 -0.59 0.07 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.00 0.00 -3.55 1.43 2.14 -1.26 -2.51 117.44 112.69 3i3b n TRP 999 Ca 0.28 -0.51 -0.10 0.00 2.07 0.00 0.00 57.50 59.24 3i3b n TRP 999 Cb 0.95 -0.11 -0.04 0.00 -0.81 0.00 0.00 31.31 31.30 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 -1.93 -0.37 -0.01 -0.67 1.04 -1.26 -4.74 113.70 105.77 3i3b s SER 1000Ca 0.17 0.24 -0.35 0.00 0.48 0.00 0.00 55.95 56.50 3i3b s SER 1000Cb 0.16 0.33 -0.13 0.00 0.10 0.00 0.00 66.02 66.48 3i3b s SER 1000CO -0.01 -0.45 1.74 -2.65 0.98 0.00 0.00 173.24 172.85 3i3b n PRO 1001N 0.32 2.04 0.00 4.02 -0.02 -1.26 -4.85 135.00 135.26 3i3b n PRO 1001Ca -0.09 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3i3b n PRO 1001Cb 0.59 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 5.26 1.19 -4.65 2.55 3.41 -1.26 -5.01 113.62 115.11 3i3b n SER 1002Ca 0.21 -1.38 -0.43 0.00 -0.26 0.00 0.00 58.87 57.01 3i3b n SER 1002Cb 0.28 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.38 4.45 0.56 -3.33 1.01 -1.26 -4.30 120.40 117.15 3i3b s VAL 1003Ca 0.00 1.73 -0.21 0.00 0.00 0.00 0.00 61.98 63.50 3i3b s VAL 1003Cb 0.00 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3i3b s VAL 1003CO 0.00 -0.23 1.33 -0.55 0.00 0.00 0.00 175.10 175.65 3i3b s SER 1004N 1.72 5.17 0.25 3.32 0.15 -1.26 -4.86 113.70 118.19 3i3b s SER 1004Ca 0.50 2.71 -0.05 0.00 0.70 0.00 0.00 55.95 59.81 3i3b s SER 1004Cb -0.17 -2.63 0.48 0.00 -1.71 0.00 0.00 66.02 61.99 3i3b s SER 1004CO 0.12 -1.64 1.66 0.00 1.20 0.00 0.00 173.24 174.59 3i3b h ALA 1005N 1.28 0.94 0.00 5.45 0.00 -1.96 0.20 119.26 125.17 3i3b h ALA 1005Ca -0.51 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3i3b h ALA 1005Cb 1.31 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3i3b h ALA 1005CO 0.56 -0.38 0.02 1.05 0.00 0.00 0.00 179.25 180.50 3i3b h GLU 1006N 0.21 0.00 -0.50 0.00 9.09 -2.04 -0.79 114.58 120.56 3i3b h GLU 1006Ca 0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.84 3i3b h GLU 1006Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 3i3b h GLU 1006CO -0.57 0.00 0.00 1.19 0.05 0.00 0.00 179.01 179.68 3i3b n PHE 1007N -2.55 0.78 -3.78 2.06 3.72 0.05 -4.94 117.46 112.80 3i3b n PHE 1007Ca -0.02 -0.54 -0.36 0.00 -0.05 0.00 0.00 57.45 56.48 3i3b n PHE 1007Cb 0.06 -0.06 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 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 -1.22 3.75 -1.30 -1.08 -0.21 -0.30 -1.52 119.66 117.77 3i3b s GLN 1008Ca 0.36 -0.09 -0.17 0.00 0.02 0.00 0.00 55.36 55.48 3i3b s GLN 1008Cb 0.20 -3.27 0.01 0.00 1.00 0.00 0.00 33.01 30.95 3i3b s GLN 1008CO 0.22 0.60 2.01 1.28 -2.12 0.00 0.00 175.29 177.28 3i3b n LEU 1009N 2.51 5.58 -0.79 2.90 4.77 -1.26 -4.60 117.00 126.11 3i3b n LEU 1009Ca -0.18 -3.83 0.09 0.00 -0.03 0.00 0.00 56.01 52.05 3i3b n LEU 1009Cb 0.54 -1.63 0.13 0.00 -2.33 0.00 0.00 43.42 40.13 3i3b n LEU 1009CO 0.34 0.37 0.58 -1.54 -1.33 0.00 0.00 177.39 175.81 3i3b n SER 1010N 7.70 2.77 0.18 -1.43 3.41 -1.26 -4.40 113.62 120.59 3i3b n SER 1010Ca 0.50 -1.81 0.13 0.00 -0.26 0.00 0.00 58.87 57.43 3i3b n SER 1010Cb 0.42 -0.12 0.69 0.00 -0.26 0.00 0.00 64.21 64.94 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 3.31 2.10 0.00 7.33 0.00 -1.98 -3.47 119.26 126.56 3i3b h ALA 1011Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i3b h ALA 1011Cb 0.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3i3b h ALA 1011CO 0.00 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.44 3i3b n GLY 1012N -1.54 2.22 3.00 0.00 0.00 -1.26 -4.91 105.19 102.69 3i3b n GLY 1012Ca 0.01 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 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 1.85 0.09 1.61 0.52 -1.26 -0.07 118.95 121.69 3i3b s ARG 1013Ca 0.00 -0.42 0.08 0.00 -0.52 0.00 0.00 55.73 54.86 3i3b s ARG 1013Cb 0.00 -1.66 -0.03 0.00 0.52 0.00 0.00 34.95 33.78 3i3b s ARG 1013CO 0.00 -0.11 -0.20 0.71 0.02 0.00 0.00 175.30 175.73 3i3b s TYR 1014N 1.13 1.70 -0.01 -0.53 2.02 -0.05 -4.99 117.35 116.62 3i3b s TYR 1014Ca -0.05 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 3i3b s TYR 1014Cb -0.14 -0.95 0.02 0.00 -0.40 0.00 0.00 41.96 40.49 3i3b s TYR 1014CO -0.03 0.17 0.01 -1.58 -1.57 0.00 0.00 175.55 172.55 3i3b s HIS 1015N -1.12 0.07 0.01 2.71 5.65 -1.26 -0.62 115.29 120.73 3i3b s HIS 1015Ca 0.05 0.06 -0.18 0.00 0.25 0.00 0.00 55.06 55.25 3i3b s HIS 1015Cb -0.10 -0.19 0.03 0.00 -1.18 0.00 0.00 32.58 31.15 3i3b s HIS 1015CO 0.04 -0.06 0.40 1.52 -0.65 0.00 0.00 174.74 175.98 3i3b s TYR 1016N 0.68 -0.27 -0.01 3.88 1.13 -0.72 -5.03 117.35 117.01 3i3b s TYR 1016Ca -0.06 0.34 0.02 0.00 -1.41 0.00 0.00 57.07 55.96 3i3b s TYR 1016Cb -0.08 0.18 -0.00 0.00 -1.10 0.00 0.00 41.96 40.96 3i3b s TYR 1016CO -0.02 -0.50 -0.06 1.14 -2.51 0.00 0.00 175.55 173.60 3i3b s GLN 1017N -1.84 0.55 -0.04 -3.49 -2.07 -1.26 -1.06 119.66 110.45 3i3b s GLN 1017Ca -0.09 -0.22 0.02 0.00 -1.82 0.00 0.00 55.36 53.24 3i3b s GLN 1017Cb -0.02 -0.54 0.01 0.00 -1.09 0.00 0.00 33.01 31.37 3i3b s GLN 1017CO 0.02 0.12 -0.09 -0.51 -1.32 0.00 0.00 175.29 173.52 3i3b s LEU 1018N -0.07 1.64 -0.22 2.60 1.43 0.23 -4.31 118.68 119.99 3i3b s LEU 1018Ca 0.01 -0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 3i3b s LEU 1018Cb -0.03 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.56 3i3b s LEU 1018CO -0.00 0.03 0.08 -0.69 0.23 0.00 0.00 176.35 176.00 3i3b s VAL 1019N 0.48 4.70 -0.14 -1.59 1.01 -0.22 0.25 120.40 124.89 3i3b s VAL 1019Ca -0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 3i3b s VAL 1019Cb -0.12 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 3i3b s VAL 1019CO 0.01 0.39 -0.06 0.86 0.00 0.00 0.00 175.10 176.30 3i3b s TRP 1020N 0.97 2.97 0.26 5.22 -0.11 0.30 -1.14 118.94 127.40 3i3b s TRP 1020Ca 0.04 -0.35 -0.14 0.00 1.22 0.00 0.00 56.10 56.87 3i3b s TRP 1020Cb -0.14 -1.91 0.00 0.00 -1.50 0.00 0.00 33.47 29.92 3i3b s TRP 1020CO 0.03 -0.05 0.54 0.00 -4.62 0.00 0.00 176.95 172.85 3i3b s GLN 1022N -3.93 4.52 0.00 0.00 -2.07 -1.26 -1.88 119.66 115.04 3i3b s GLN 1022Ca 0.20 1.15 0.04 0.00 -1.82 0.00 0.00 55.36 54.93 3i3b s GLN 1022Cb -0.02 -3.09 0.03 0.00 -1.09 0.00 0.00 33.01 28.84 3i3b s GLN 1022CO 0.09 0.47 0.64 1.17 -1.32 0.00 0.00 175.29 176.34