#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3b n ARG 14 N 0.00 -1.02 0.28 5.56 1.74 -1.26 -4.79 116.66 117.17 3i3b n ARG 14 Ca 0.00 0.51 0.19 0.00 -0.77 0.00 0.00 57.85 57.78 3i3b n ARG 14 Cb 0.00 -2.66 0.90 0.00 -1.02 0.00 0.00 32.46 29.68 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 -1.26 0.00 -0.03 0.55 3.32 -1.95 -2.31 116.42 114.75 3i3b h ASP 15 Ca -0.64 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.41 3i3b h ASP 15 Cb 1.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.93 3i3b h ASP 15 CO 0.43 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.28 3i3b n TRP 16 N -2.94 0.04 -2.46 4.55 2.14 -1.26 -3.27 117.44 114.24 3i3b n TRP 16 Ca -0.01 -0.02 -0.13 0.00 2.07 0.00 0.00 57.50 59.41 3i3b n TRP 16 Cb 0.17 0.00 0.03 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 -0.55 2.60 -3.28 -2.67 1.02 -0.87 0.36 120.64 117.25 3i3b n GLU 17 Ca 0.11 -3.84 -0.07 0.00 -0.02 0.00 0.00 57.16 53.35 3i3b n GLU 17 Cb 0.09 -1.91 -0.05 0.00 -0.02 0.00 0.00 31.44 29.55 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 -3.65 -0.00 0.00 1.62 2.47 -1.20 -4.74 114.94 109.43 3i3b s ASN 18 Ca 0.39 -0.13 0.06 0.00 0.42 0.00 0.00 52.86 53.59 3i3b s ASN 18 Cb 0.37 1.29 0.26 0.00 -1.45 0.00 0.00 41.25 41.72 3i3b s ASN 18 CO -0.01 -0.33 1.19 -0.81 -3.72 0.00 0.00 177.10 173.42 3i3b n PRO 19 N 5.37 0.00 0.11 0.43 -0.04 -1.26 -0.97 135.00 138.64 3i3b n PRO 19 Ca 0.00 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 3i3b n PRO 19 Cb 0.50 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.87 3i3b n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i3b n GLY 20 N -0.88 -1.67 2.94 0.55 0.00 -1.26 -4.31 105.19 100.56 3i3b n GLY 20 Ca 0.01 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3i3b n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i3b s VAL 21 N -3.13 1.85 -1.98 1.61 1.01 -0.15 -4.93 120.40 114.68 3i3b s VAL 21 Ca 0.10 -1.97 0.18 0.00 0.00 0.00 0.00 61.98 60.29 3i3b s VAL 21 Cb 0.12 -2.33 0.08 0.00 0.00 0.00 0.00 36.38 34.25 3i3b s VAL 21 CO 0.58 -0.55 1.00 0.35 0.00 0.00 0.00 175.10 176.48 3i3b n THR 22 N 4.45 0.00 -3.63 3.92 -2.24 -1.26 -4.79 114.28 110.73 3i3b n THR 22 Ca 0.00 -0.42 -0.03 0.00 -2.27 0.00 0.00 64.05 61.34 3i3b n THR 22 Cb 0.42 1.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.93 3i3b n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3b s GLN 23 N -1.76 0.10 -0.05 -0.78 1.03 -1.26 -1.57 119.66 115.36 3i3b s GLN 23 Ca 0.18 -0.02 -0.02 0.00 0.04 0.00 0.00 55.36 55.55 3i3b s GLN 23 Cb 0.15 0.05 0.03 0.00 0.03 0.00 0.00 33.01 33.26 3i3b s GLN 23 CO 0.33 -0.04 0.04 -0.51 -2.54 0.00 0.00 175.29 172.57 3i3b s LEU 24 N -1.69 0.29 -1.32 2.60 1.43 -0.28 -4.84 118.68 114.88 3i3b s LEU 24 Ca 0.10 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3i3b s LEU 24 Cb -0.01 -0.23 0.00 0.00 0.03 0.00 0.00 46.19 45.98 3i3b s LEU 24 CO -0.05 -0.23 0.00 0.59 0.23 0.00 0.00 176.35 176.89 3i3b n ASN 25 N 5.22 -4.47 -4.77 2.29 3.02 -1.26 -1.38 115.26 113.92 3i3b n ASN 25 Ca -0.05 0.15 -0.39 0.00 -0.03 0.00 0.00 54.58 54.26 3i3b n ASN 25 Cb 0.50 -3.43 -0.06 0.00 -0.61 0.00 0.00 39.78 36.18 3i3b n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3i3b s ARG 26 N -3.99 4.50 0.65 3.52 3.52 -1.26 -4.65 118.95 121.23 3i3b s ARG 26 Ca 0.00 1.07 -0.13 0.00 -0.13 0.00 0.00 55.73 56.54 3i3b s ARG 26 Cb 0.00 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 3i3b s ARG 26 CO 0.00 0.46 1.06 -0.51 -0.81 0.00 0.00 175.30 175.50 3i3b s LEU 27 N -0.69 3.30 0.68 -0.88 1.43 0.23 -5.00 118.68 117.75 3i3b s LEU 27 Ca 0.36 1.69 -0.17 0.00 -1.03 0.00 0.00 54.13 54.98 3i3b s LEU 27 Cb -0.22 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.50 3i3b s LEU 27 CO 0.24 -1.30 1.23 0.00 0.23 0.00 0.00 176.35 176.76 3i3b n ALA 28 N -2.63 0.78 -1.69 4.21 0.00 -1.26 -4.68 120.51 115.24 3i3b n ALA 28 Ca 0.08 -0.07 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3i3b n ALA 28 Cb 0.53 -2.28 0.03 0.00 0.00 0.00 0.00 19.45 17.73 3i3b n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3b s ALA 29 N -1.55 2.84 0.06 0.00 0.00 -1.26 -4.98 121.76 116.86 3i3b s ALA 29 Ca 0.80 0.08 -0.28 0.00 0.00 0.00 0.00 51.96 52.56 3i3b s ALA 29 Cb -0.36 -3.15 0.10 0.00 0.00 0.00 0.00 23.12 19.70 3i3b s ALA 29 CO 0.43 -0.93 1.15 -3.38 0.00 0.00 0.00 175.76 173.03 3i3b s HIS 30 N -2.98 -0.08 0.89 0.00 -3.43 -1.26 -4.89 115.29 103.56 3i3b s HIS 30 Ca 0.58 -0.11 -0.11 0.00 -0.80 0.00 0.00 55.06 54.61 3i3b s HIS 30 Cb -0.13 0.59 0.13 0.00 -1.43 0.00 0.00 32.58 31.74 3i3b s HIS 30 CO 0.50 -0.51 1.10 -2.14 -2.00 0.00 0.00 174.74 171.69 3i3b s PRO 31 N -2.78 1.25 -0.01 -0.38 0.02 -1.15 -4.28 135.00 127.66 3i3b s PRO 31 Ca 0.14 1.08 -0.35 0.00 0.02 0.00 0.00 61.00 61.89 3i3b s PRO 31 Cb 0.02 -1.79 -0.13 0.00 0.02 0.00 0.00 34.50 32.62 3i3b s PRO 31 CO -0.01 -2.32 1.75 -2.30 -0.33 0.00 0.00 177.00 173.78 3i3b n PRO 32 N -3.97 2.04 -4.19 5.54 -0.02 -1.26 -4.99 135.00 128.15 3i3b n PRO 32 Ca 0.08 0.74 -0.28 0.00 -2.02 0.00 0.00 63.50 62.03 3i3b n PRO 32 Cb 0.54 -2.54 -0.08 0.00 -0.02 0.00 0.00 33.50 31.39 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 2.84 2.85 0.00 6.00 0.08 -1.26 -4.80 117.98 123.69 3i3b s PHE 33 Ca 0.88 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 57.81 3i3b s PHE 33 Cb -0.73 -1.42 0.00 0.00 -0.57 0.00 0.00 43.02 40.30 3i3b s PHE 33 CO 0.48 0.49 0.00 0.00 -0.10 0.00 0.00 175.22 176.09 3i3b n ALA 34 N 0.20 0.14 -3.78 5.36 0.00 -1.26 -5.03 120.51 116.15 3i3b n ALA 34 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.01 3i3b n ALA 34 Cb 0.54 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.08 -4.12 -4.76 0.00 2.88 -1.25 -4.09 113.62 102.18 3i3b n SER 35 Ca 0.00 -1.04 -0.37 0.00 -1.33 0.00 0.00 58.87 56.13 3i3b n SER 35 Cb 0.00 -3.14 0.02 0.00 -0.75 0.00 0.00 64.21 60.34 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 -3.57 2.54 -0.17 0.66 0.51 -0.46 -4.58 118.94 113.87 3i3b s TRP 36 Ca 0.38 1.48 0.16 0.00 -2.12 0.00 0.00 56.10 56.00 3i3b s TRP 36 Cb -0.14 -3.54 0.37 0.00 -0.81 0.00 0.00 33.47 29.35 3i3b s TRP 36 CO 0.88 -2.15 1.23 0.54 -0.51 0.00 0.00 176.95 176.94 3i3b n ARG 37 N -1.00 1.64 -3.66 4.98 5.12 -1.26 -0.44 116.66 122.03 3i3b n ARG 37 Ca 0.10 -2.84 -0.08 0.00 -1.93 0.00 0.00 57.85 53.10 3i3b n ARG 37 Cb 0.48 -1.61 -0.09 0.00 -1.16 0.00 0.00 32.46 30.08 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 -2.79 -0.30 0.18 0.55 3.84 -1.26 -5.01 114.94 110.14 3i3b s ASN 38 Ca 0.36 1.01 -0.09 0.00 0.21 0.00 0.00 52.86 54.35 3i3b s ASN 38 Cb 0.32 1.33 0.06 0.00 -0.55 0.00 0.00 41.25 42.41 3i3b s ASN 38 CO 0.01 -0.23 1.60 0.28 -2.79 0.00 0.00 177.10 175.98 3i3b h SER 39 N 8.08 1.02 -0.90 -4.21 0.02 -1.98 -2.87 113.55 112.71 3i3b h SER 39 Ca -0.17 -0.34 0.08 0.00 -0.84 0.00 0.00 61.79 60.51 3i3b h SER 39 Cb 1.11 -0.28 -0.07 0.00 0.14 0.00 0.00 62.40 63.31 3i3b h SER 39 CO 0.13 1.13 0.55 -0.08 -1.14 0.00 0.00 176.83 177.43 3i3b h GLU 40 N 0.90 0.94 -0.06 3.45 4.57 -1.99 0.17 114.58 122.56 3i3b h GLU 40 Ca 0.14 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.17 3i3b h GLU 40 Cb 0.69 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3i3b h GLU 40 CO 0.05 0.62 -0.38 0.93 -1.18 0.00 0.00 179.01 179.05 3i3b h GLU 41 N 0.97 0.12 -0.12 1.92 5.08 -1.92 -1.60 114.58 119.03 3i3b h GLU 41 Ca 0.41 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.55 3i3b h GLU 41 Cb 0.27 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3i3b h GLU 41 CO -0.21 0.49 -0.63 0.00 -1.00 0.00 0.00 179.01 177.66 3i3b h ALA 42 N 1.51 0.69 -0.40 3.43 0.00 -0.86 -1.08 119.26 122.55 3i3b h ALA 42 Ca 0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 3i3b h ALA 42 Cb 0.73 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3i3b h ALA 42 CO 0.05 0.72 -0.18 -0.09 0.00 0.00 0.00 179.25 179.76 3i3b h ARG 43 N 0.31 0.84 -0.04 0.00 2.43 -0.31 -3.08 114.38 114.53 3i3b h ARG 43 Ca -0.01 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3i3b h ARG 43 Cb 1.18 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3i3b h ARG 43 CO 0.11 0.99 0.00 0.25 -1.51 0.00 0.00 179.97 179.81 3i3b n THR 44 N -4.24 0.03 -3.23 0.20 -2.24 -0.64 -4.93 114.28 99.22 3i3b n THR 44 Ca -0.01 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.29 3i3b n THR 44 Cb 0.42 0.40 0.03 0.00 -2.10 0.00 0.00 70.33 69.08 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 0.10 -5.63 -4.87 3.42 2.03 -0.55 -4.98 116.55 106.08 3i3b n ASP 45 Ca 0.19 -0.38 -0.31 0.00 0.52 0.00 0.00 54.79 54.81 3i3b n ASP 45 Cb 0.33 -4.54 0.01 0.00 -0.72 0.00 0.00 41.12 36.20 3i3b n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3i3b s ARG 46 N -5.92 3.55 0.55 -0.67 0.52 -0.52 -5.00 118.95 111.47 3i3b s ARG 46 Ca 0.39 0.71 -0.19 0.00 -0.52 0.00 0.00 55.73 56.12 3i3b s ARG 46 Cb -0.18 -2.08 -0.08 0.00 0.52 0.00 0.00 34.95 33.12 3i3b s ARG 46 CO 0.48 -0.59 0.66 -2.30 0.02 0.00 0.00 175.30 173.57 3i3b n PRO 47 N -2.75 0.66 -4.95 3.54 -0.02 -1.26 -4.84 135.00 125.37 3i3b n PRO 47 Ca 0.06 0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 61.47 3i3b n PRO 47 Cb 0.54 -1.81 -0.15 0.00 -0.02 0.00 0.00 33.50 32.06 3i3b n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i3b s SER 48 N -1.14 3.67 0.56 2.55 0.15 -1.26 -4.99 113.70 113.23 3i3b s SER 48 Ca 0.69 -0.40 0.36 0.00 0.70 0.00 0.00 55.95 57.31 3i3b s SER 48 Cb -0.46 -1.45 1.73 0.00 -1.71 0.00 0.00 66.02 64.13 3i3b s SER 48 CO 0.53 0.18 2.09 1.56 1.20 0.00 0.00 173.24 178.80 3i3b h GLN 49 N 6.58 0.00 -0.01 5.44 1.08 -1.91 -2.06 115.11 124.24 3i3b h GLN 49 Ca -0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 3i3b h GLN 49 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 3i3b h GLN 49 CO 0.52 0.00 -0.05 1.04 -0.95 0.00 0.00 178.83 179.39 3i3b n GLN 50 N -2.96 1.13 -3.97 1.46 3.00 -1.26 -4.57 117.38 110.20 3i3b n GLN 50 Ca -0.01 -0.45 -0.31 0.00 -0.01 0.00 0.00 57.00 56.23 3i3b n GLN 50 Cb 0.19 -1.49 -0.15 0.00 0.00 0.00 0.00 30.24 28.79 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 -2.18 4.30 -0.08 1.08 2.96 -0.77 -1.03 118.68 122.95 3i3b s LEU 51 Ca 0.37 -2.05 -0.06 0.00 -0.22 0.00 0.00 54.13 52.18 3i3b s LEU 51 Cb 0.21 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 3i3b s LEU 51 CO 0.40 -0.38 0.15 -0.13 -1.32 0.00 0.00 176.35 175.07 3i3b s ARG 52 N 1.03 3.44 0.02 1.98 0.52 0.19 -4.72 118.95 121.40 3i3b s ARG 52 Ca 0.10 -0.19 -0.14 0.00 -0.52 0.00 0.00 55.73 54.98 3i3b s ARG 52 Cb -0.19 -3.16 -0.06 0.00 0.52 0.00 0.00 34.95 32.07 3i3b s ARG 52 CO -0.11 0.75 0.42 0.45 0.02 0.00 0.00 175.30 176.83 3i3b s SER 53 N -1.32 6.79 -0.09 0.23 0.15 -1.26 -0.31 113.70 117.89 3i3b s SER 53 Ca 0.19 0.95 0.13 0.00 0.70 0.00 0.00 55.95 57.93 3i3b s SER 53 Cb -0.12 -2.24 0.40 0.00 -1.71 0.00 0.00 66.02 62.34 3i3b s SER 53 CO 0.09 0.29 1.32 0.18 1.20 0.00 0.00 173.24 176.32 3i3b n LEU 54 N 1.63 3.32 -4.77 3.45 4.77 0.74 -4.89 117.00 121.25 3i3b n LEU 54 Ca -0.13 -2.51 -0.35 0.00 -0.03 0.00 0.00 56.01 52.99 3i3b n LEU 54 Cb 0.52 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3i3b n LEU 54 CO 0.38 0.69 0.79 0.20 -1.33 0.00 0.00 177.39 178.13 3i3b s ASN 55 N -1.49 5.69 0.00 -1.43 0.01 -1.24 -4.85 114.94 111.62 3i3b s ASN 55 Ca 0.31 2.21 0.00 0.00 -0.71 0.00 0.00 52.86 54.67 3i3b s ASN 55 Cb 0.22 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.30 3i3b s ASN 55 CO 0.11 -1.24 0.00 0.61 -1.51 0.00 0.00 177.10 175.07 3i3b n GLY 56 N 0.21 0.53 3.69 0.66 0.00 -0.29 -5.00 105.19 104.99 3i3b n GLY 56 Ca 0.12 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 3i3b n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i3b s GLU 57 N -2.00 4.35 0.40 1.61 2.02 -1.26 -0.49 118.70 123.32 3i3b s GLU 57 Ca 0.00 0.88 0.04 0.00 0.02 0.00 0.00 54.97 55.92 3i3b s GLU 57 Cb 0.00 -3.52 -0.05 0.00 0.10 0.00 0.00 34.13 30.66 3i3b s GLU 57 CO 0.00 -0.14 0.05 -1.58 0.02 0.00 0.00 175.26 173.61 3i3b s TRP 58 N 1.50 2.08 -0.15 1.61 0.52 0.20 -4.92 118.94 119.77 3i3b s TRP 58 Ca 0.36 -0.93 -0.06 0.00 0.02 0.00 0.00 56.10 55.50 3i3b s TRP 58 Cb -0.17 -1.47 -0.04 0.00 -1.15 0.00 0.00 33.47 30.64 3i3b s TRP 58 CO 0.15 0.13 0.05 1.03 0.02 0.00 0.00 176.95 178.32 3i3b s ARG 59 N -3.81 3.64 0.01 4.98 1.81 -0.66 0.31 118.95 125.24 3i3b s ARG 59 Ca 0.28 -0.35 0.01 0.00 -1.72 0.00 0.00 55.73 53.95 3i3b s ARG 59 Cb 0.07 -3.08 -0.01 0.00 -0.45 0.00 0.00 34.95 31.48 3i3b s ARG 59 CO 0.14 0.44 -0.04 0.12 -0.68 0.00 0.00 175.30 175.27 3i3b s PHE 60 N -0.11 0.37 -0.04 -0.53 5.36 0.35 -1.24 117.98 122.14 3i3b s PHE 60 Ca 0.06 -0.20 -0.03 0.00 -0.96 0.00 0.00 56.93 55.80 3i3b s PHE 60 Cb -0.12 -0.23 0.01 0.00 -0.34 0.00 0.00 43.02 42.34 3i3b s PHE 60 CO 0.01 -0.04 0.09 0.00 -1.46 0.00 0.00 175.22 173.83 3i3b s ALA 61 N -0.50 -0.21 -0.12 11.12 0.00 -0.82 -1.02 121.76 130.21 3i3b s ALA 61 Ca -0.03 0.31 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 3i3b s ALA 61 Cb -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3i3b s ALA 61 CO -0.00 -0.06 0.09 -0.46 0.00 0.00 0.00 175.76 175.33 3i3b s TRP 62 N 0.22 3.43 0.03 0.00 -0.00 -1.26 -0.70 118.94 120.66 3i3b s TRP 62 Ca -0.01 0.37 0.03 0.00 -0.00 0.00 0.00 56.10 56.49 3i3b s TRP 62 Cb -0.02 -1.93 -0.02 0.00 -0.00 0.00 0.00 33.47 31.49 3i3b s TRP 62 CO -0.01 0.57 -0.10 -0.06 -0.00 0.00 0.00 176.95 177.35 3i3b s PHE 63 N -0.72 0.84 0.28 5.86 0.08 0.05 -5.01 117.98 119.36 3i3b s PHE 63 Ca 0.13 -0.35 0.25 0.00 0.12 0.00 0.00 56.93 57.07 3i3b s PHE 63 Cb -0.12 -0.50 1.13 0.00 -0.57 0.00 0.00 43.02 42.96 3i3b s PHE 63 CO 0.03 -0.02 1.93 -1.00 -0.10 0.00 0.00 175.22 176.06 3i3b h PRO 64 N 5.01 0.00 -2.92 0.24 0.13 -1.86 0.18 132.00 132.78 3i3b h PRO 64 Ca -0.35 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.73 3i3b h PRO 64 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 3i3b h PRO 64 CO 0.44 0.20 0.07 0.00 -0.23 0.00 0.00 178.00 178.48 3i3b s ALA 65 N -3.92 -1.35 0.45 -0.56 0.00 -1.25 -1.56 121.76 113.58 3i3b s ALA 65 Ca -0.01 0.48 0.41 0.00 0.00 0.00 0.00 51.96 52.83 3i3b s ALA 65 Cb 0.12 0.57 2.04 0.00 0.00 0.00 0.00 23.12 25.85 3i3b s ALA 65 CO 0.62 -0.60 2.23 -1.00 0.00 0.00 0.00 175.76 177.01 3i3b h PRO 66 N 2.49 0.00 0.00 0.00 0.13 -1.86 -1.54 132.00 131.22 3i3b h PRO 66 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3i3b h PRO 66 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3i3b h PRO 66 CO 0.41 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.11 3i3b h GLU 67 N 0.00 0.00 -0.01 0.86 3.07 -1.95 -3.05 114.58 113.51 3i3b h GLU 67 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i3b h GLU 67 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3i3b h GLU 67 CO 0.00 0.00 -0.34 0.00 -1.40 0.00 0.00 179.01 177.27 3i3b n ALA 68 N -1.83 3.24 -2.40 3.43 0.00 -0.58 -4.88 120.51 117.50 3i3b n ALA 68 Ca 0.03 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 3i3b n ALA 68 Cb 0.32 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.62 4.20 0.25 0.00 1.01 -1.15 -4.99 120.40 117.10 3i3b s VAL 69 Ca 0.21 1.42 -0.30 0.00 0.00 0.00 0.00 61.98 63.31 3i3b s VAL 69 Cb 0.19 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 3i3b s VAL 69 CO 0.57 -0.25 1.29 -2.16 0.00 0.00 0.00 175.10 174.55 3i3b s PRO 70 N 3.77 4.40 0.56 2.72 0.04 -1.26 -4.90 135.00 140.34 3i3b s PRO 70 Ca 0.56 2.09 0.26 0.00 0.04 0.00 0.00 61.00 63.95 3i3b s PRO 70 Cb -0.21 -3.15 1.54 0.00 0.04 0.00 0.00 34.50 32.73 3i3b s PRO 70 CO 0.18 -0.18 2.09 1.49 0.04 0.00 0.00 177.00 180.62 3i3b h GLU 71 N 4.53 0.00 -0.70 4.56 4.81 -1.99 -1.45 114.58 124.34 3i3b h GLU 71 Ca -0.46 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.85 3i3b h GLU 71 Cb 1.22 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 3i3b h GLU 71 CO 0.72 0.00 0.46 0.66 -0.73 0.00 0.00 179.01 180.12 3i3b h SER 72 N 0.00 0.58 -0.50 1.04 4.64 -1.91 -1.71 113.55 115.68 3i3b h SER 72 Ca 0.11 0.01 0.13 0.00 -0.47 0.00 0.00 61.79 61.57 3i3b h SER 72 Cb 0.52 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3i3b h SER 72 CO -0.00 0.36 0.35 -0.25 -0.87 0.00 0.00 176.83 176.42 3i3b h TRP 73 N 0.65 0.06 -0.38 4.77 7.01 -1.36 -0.02 115.95 126.68 3i3b h TRP 73 Ca 0.31 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.31 3i3b h TRP 73 Cb 0.38 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.40 3i3b h TRP 73 CO -0.00 0.03 0.21 -0.07 -2.79 0.00 0.00 178.44 175.82 3i3b h LEU 74 N 0.06 0.45 -0.50 0.65 3.38 -1.49 -3.26 115.31 114.61 3i3b h LEU 74 Ca 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3i3b h LEU 74 Cb 0.87 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3i3b h LEU 74 CO -0.02 0.36 0.00 -0.62 0.09 0.00 0.00 178.44 178.26 3i3b n GLU 75 N -4.44 2.78 -3.79 1.13 1.02 -0.83 -3.50 120.64 113.01 3i3b n GLU 75 Ca 0.03 -0.25 -0.13 0.00 -0.02 0.00 0.00 57.16 56.79 3i3b n GLU 75 Cb 0.09 -0.74 -0.12 0.00 -0.02 0.00 0.00 31.44 30.65 3i3b n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i3b s ASP 77 N 0.28 6.38 -0.02 0.00 2.15 -1.26 -3.82 116.67 120.37 3i3b s ASP 77 Ca -0.01 2.89 -0.30 0.00 0.43 0.00 0.00 52.55 55.56 3i3b s ASP 77 Cb -0.03 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.94 3i3b s ASP 77 CO -0.01 -0.95 1.15 -0.76 -0.17 0.00 0.00 175.17 174.43 3i3b s LEU 78 N 0.56 4.31 0.50 -1.34 1.43 -1.26 -4.92 118.68 117.96 3i3b s LEU 78 Ca 0.70 1.82 0.22 0.00 -1.03 0.00 0.00 54.13 55.84 3i3b s LEU 78 Cb -0.49 -3.56 1.33 0.00 0.03 0.00 0.00 46.19 43.49 3i3b s LEU 78 CO 0.38 -0.50 2.08 -0.65 0.23 0.00 0.00 176.35 177.89 3i3b h PRO 79 N 7.17 0.00 0.00 1.29 0.11 -2.03 -2.19 132.00 136.35 3i3b h PRO 79 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3i3b h PRO 79 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3i3b h PRO 79 CO 0.84 0.11 0.00 1.05 -0.21 0.00 0.00 178.00 179.80 3i3b h GLU 80 N 0.00 0.00 -7.19 1.05 4.11 -1.98 -3.45 114.58 107.12 3i3b h GLU 80 Ca -0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.92 3i3b h GLU 80 Cb 0.24 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.60 3i3b h GLU 80 CO 0.01 0.00 0.38 0.00 0.07 0.00 0.00 179.01 179.48 3i3b s ALA 81 N -3.44 2.45 0.39 1.06 0.00 -0.83 -4.99 121.76 116.39 3i3b s ALA 81 Ca 0.03 0.62 0.08 0.00 0.00 0.00 0.00 51.96 52.69 3i3b s ALA 81 Cb 0.09 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 3i3b s ALA 81 CO 0.48 -1.30 0.35 -0.51 0.00 0.00 0.00 175.76 174.78 3i3b s ASP 82 N -2.43 5.11 -0.25 0.00 1.01 -0.19 -4.87 116.67 115.05 3i3b s ASP 82 Ca 0.68 -0.67 -0.10 0.00 0.71 0.00 0.00 52.55 53.17 3i3b s ASP 82 Cb -0.22 -0.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.98 3i3b s ASP 82 CO 0.40 -0.56 0.14 -0.89 0.21 0.00 0.00 175.17 174.48 3i3b s THR 83 N -2.42 5.06 0.24 -1.27 2.01 -1.26 -0.50 115.64 117.50 3i3b s THR 83 Ca 0.46 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.58 3i3b s THR 83 Cb -0.04 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 3i3b s THR 83 CO 0.27 0.32 -0.03 0.68 -0.69 0.00 0.00 174.62 175.18 3i3b s VAL 84 N 1.35 1.24 0.14 3.82 -7.23 0.15 -4.91 120.40 114.97 3i3b s VAL 84 Ca 0.07 -2.06 -0.20 0.00 -1.81 0.00 0.00 61.98 57.98 3i3b s VAL 84 Cb -0.15 -2.35 -0.07 0.00 0.56 0.00 0.00 36.38 34.37 3i3b s VAL 84 CO 0.06 -0.34 0.65 -0.69 -0.31 0.00 0.00 175.10 174.47 3i3b s VAL 85 N -3.28 4.65 -0.01 1.32 1.01 -1.26 0.59 120.40 123.41 3i3b s VAL 85 Ca 0.28 1.25 0.02 0.00 0.00 0.00 0.00 61.98 63.53 3i3b s VAL 85 Cb 0.05 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 3i3b s VAL 85 CO 0.09 0.40 -0.07 -0.69 0.00 0.00 0.00 175.10 174.82 3i3b s VAL 86 N -1.30 0.60 0.68 2.92 1.01 0.35 -4.19 120.40 120.48 3i3b s VAL 86 Ca 0.36 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 3i3b s VAL 86 Cb -0.19 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.69 3i3b s VAL 86 CO 0.21 0.18 1.13 -2.16 0.00 0.00 0.00 175.10 174.46 3i3b s PRO 87 N -0.08 2.61 -0.18 2.72 0.04 -1.26 -1.14 135.00 137.70 3i3b s PRO 87 Ca 0.02 1.48 -0.34 0.00 0.04 0.00 0.00 61.00 62.20 3i3b s PRO 87 Cb -0.04 -1.92 0.14 0.00 0.04 0.00 0.00 34.50 32.72 3i3b s PRO 87 CO -0.00 -1.42 1.19 -1.54 0.04 0.00 0.00 177.00 175.27 3i3b s SER 88 N -2.45 -0.16 -0.20 6.66 1.04 -0.10 -4.93 113.70 113.57 3i3b s SER 88 Ca 0.69 0.03 -0.09 0.00 0.48 0.00 0.00 55.95 57.06 3i3b s SER 88 Cb -0.23 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 3i3b s SER 88 CO 0.43 -0.25 0.09 0.20 0.98 0.00 0.00 173.24 174.69 3i3b s ASN 89 N -2.03 5.84 0.60 7.02 -0.87 -1.26 -3.26 114.94 120.98 3i3b s ASN 89 Ca 0.08 0.12 0.37 0.00 -1.57 0.00 0.00 52.86 51.87 3i3b s ASN 89 Cb -0.01 -2.02 1.83 0.00 -0.02 0.00 0.00 41.25 41.03 3i3b s ASN 89 CO -0.05 0.16 2.16 4.11 -2.57 0.00 0.00 177.10 180.91 3i3b h TRP 90 N 6.84 0.00 -0.09 2.20 0.09 -1.82 -1.66 115.95 121.52 3i3b h TRP 90 Ca -0.38 0.00 -0.06 0.00 0.09 0.00 0.00 58.89 58.54 3i3b h TRP 90 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.39 3i3b h TRP 90 CO 0.58 0.02 -0.21 1.96 0.09 0.00 0.00 178.44 180.89 3i3b h GLN 91 N 0.00 0.14 0.00 0.12 7.50 -1.80 -1.86 115.11 119.21 3i3b h GLN 91 Ca -0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 3i3b h GLN 91 Cb 0.27 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.79 3i3b h GLN 91 CO 0.00 0.35 0.00 0.52 -1.50 0.00 0.00 178.83 178.20 3i3b h MET 92 N 0.13 0.00 -0.02 1.46 2.86 -1.59 -1.70 114.93 116.08 3i3b h MET 92 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3i3b h MET 92 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3i3b h MET 92 CO 0.03 0.00 -0.15 0.72 1.06 0.00 0.00 176.91 178.57 3i3b n HIS 93 N -3.08 0.00 -0.63 -0.22 8.25 -0.72 -4.96 115.22 113.85 3i3b n HIS 93 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3i3b n HIS 93 Cb 0.31 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.39 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 1.30 0.70 0.26 -1.41 0.00 -0.64 -4.96 105.19 100.44 3i3b n GLY 94 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 3i3b n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3i3b h TYR 95 N 0.00 0.54 -3.37 1.61 0.05 -1.72 -3.46 116.97 110.62 3i3b h TYR 95 Ca 0.00 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 3i3b h TYR 95 Cb 0.00 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.55 3i3b h TYR 95 CO 0.00 0.58 0.09 0.16 -1.05 0.00 0.00 178.16 177.94 3i3b s ASP 96 N -6.76 0.13 0.07 3.88 1.47 -1.26 -5.05 116.67 109.15 3i3b s ASP 96 Ca -0.07 -1.07 -0.19 0.00 1.18 0.00 0.00 52.55 52.40 3i3b s ASP 96 Cb 0.15 0.73 -0.07 0.00 -0.34 0.00 0.00 42.92 43.40 3i3b s ASP 96 CO 0.77 -1.43 0.56 0.00 0.68 0.00 0.00 175.17 175.75 3i3b s ALA 97 N -3.13 3.60 0.45 2.11 0.00 -1.26 -4.37 121.76 119.15 3i3b s ALA 97 Ca 0.19 0.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.95 3i3b s ALA 97 Cb -0.03 -2.61 -0.09 0.00 0.00 0.00 0.00 23.12 20.38 3i3b s ALA 97 CO 0.12 0.41 1.01 -1.25 0.00 0.00 0.00 175.76 176.04 3i3b s PRO 98 N -1.13 4.04 -0.11 0.00 0.04 -1.26 -4.99 135.00 131.58 3i3b s PRO 98 Ca 0.29 1.31 0.02 0.00 0.04 0.00 0.00 61.00 62.66 3i3b s PRO 98 Cb -0.19 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 3i3b s PRO 98 CO 0.19 -0.22 -0.19 0.42 0.04 0.00 0.00 177.00 177.23 3i3b s ILE 99 N -1.97 2.49 -0.32 0.56 1.01 -1.01 -4.64 121.20 117.33 3i3b s ILE 99 Ca 0.63 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 3i3b s ILE 99 Cb -0.15 -1.99 0.05 0.00 0.01 0.00 0.00 42.46 40.37 3i3b s ILE 99 CO 0.19 0.55 0.04 -0.47 0.00 0.00 0.00 174.94 175.25 3i3b s TYR 100 N 0.29 3.27 0.00 3.97 5.04 -1.26 0.11 117.35 128.77 3i3b s TYR 100 Ca -0.14 -1.73 0.01 0.00 -2.44 0.00 0.00 57.07 52.77 3i3b s TYR 100 Cb -0.17 -2.20 -0.01 0.00 0.35 0.00 0.00 41.96 39.94 3i3b s TYR 100 CO 0.07 -0.78 -0.03 -0.08 -1.34 0.00 0.00 175.55 173.39 3i3b s THR 101 N 1.30 0.25 0.00 4.34 -1.32 -1.26 -1.55 115.64 117.40 3i3b s THR 101 Ca -0.04 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.19 3i3b s THR 101 Cb -0.20 -0.24 0.00 0.00 -1.51 0.00 0.00 72.50 70.56 3i3b s THR 101 CO 0.00 -0.01 0.00 -3.20 -2.21 0.00 0.00 174.62 169.20 3i3b n ASN 102 N 2.79 0.00 -0.09 8.08 5.15 -1.26 -3.97 115.26 125.96 3i3b n ASN 102 Ca -0.14 0.01 -0.23 0.00 -0.60 0.00 0.00 54.58 53.62 3i3b n ASN 102 Cb 0.58 -0.01 -0.12 0.00 -0.53 0.00 0.00 39.78 39.70 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 -0.60 1.60 -1.79 3.44 0.31 -1.26 -4.04 118.33 115.98 3i3b n VAL 103 Ca 0.00 -0.36 -0.42 0.00 -0.01 0.00 0.00 64.34 63.55 3i3b n VAL 103 Cb 0.00 -1.83 -0.03 0.00 -0.91 0.00 0.00 33.84 31.07 3i3b n VAL 103 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3i3b s THR 104 N -2.47 2.97 0.36 2.52 2.01 -1.26 -3.22 115.64 116.55 3i3b s THR 104 Ca -0.30 0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.66 3i3b s THR 104 Cb 0.09 -3.15 -0.12 0.00 0.01 0.00 0.00 72.50 69.33 3i3b s THR 104 CO 0.62 -0.01 1.24 -1.22 -0.69 0.00 0.00 174.62 174.56 3i3b n TYR 105 N 6.52 2.08 0.82 4.92 4.01 -1.26 -4.85 117.16 129.40 3i3b n TYR 105 Ca 0.18 0.55 0.10 0.00 -0.16 0.00 0.00 57.90 58.57 3i3b n TYR 105 Cb 0.40 -2.38 0.46 0.00 -0.31 0.00 0.00 39.34 37.52 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 0.42 0.15 -4.47 -0.72 -0.04 -1.26 -4.74 135.00 124.34 3i3b n PRO 106 Ca 0.06 0.13 -0.23 0.00 -0.04 0.00 0.00 63.50 63.42 3i3b n PRO 106 Cb 0.37 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 3i3b n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i3b s ILE 107 N -2.77 2.07 0.19 0.52 -4.36 -1.26 -5.05 121.20 110.54 3i3b s ILE 107 Ca 0.15 -2.23 -0.31 0.00 -0.26 0.00 0.00 60.65 57.99 3i3b s ILE 107 Cb 0.13 -2.43 -0.10 0.00 1.25 0.00 0.00 42.46 41.30 3i3b s ILE 107 CO 0.33 -0.33 1.56 -0.89 0.24 0.00 0.00 174.94 175.85 3i3b s THR 108 N -2.74 2.56 -0.76 8.37 2.01 -1.26 -4.89 115.64 118.93 3i3b s THR 108 Ca 0.30 0.42 -0.26 0.00 0.31 0.00 0.00 61.69 62.45 3i3b s THR 108 Cb 0.01 -3.27 0.01 0.00 0.01 0.00 0.00 72.50 69.26 3i3b s THR 108 CO 0.14 0.04 1.53 -0.69 -0.69 0.00 0.00 174.62 174.94 3i3b s VAL 109 N 0.90 3.62 -0.43 3.82 1.01 -1.26 -4.73 120.40 123.33 3i3b s VAL 109 Ca 0.68 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.85 3i3b s VAL 109 Cb -0.44 -4.59 0.33 0.00 0.00 0.00 0.00 36.38 31.68 3i3b s VAL 109 CO 0.34 -1.53 0.99 -3.20 0.00 0.00 0.00 175.10 171.70 3i3b n ASN 110 N 10.65 -1.30 -4.61 3.32 5.15 -1.26 -5.13 115.26 122.09 3i3b n ASN 110 Ca 0.16 -3.48 -0.43 0.00 -0.60 0.00 0.00 54.58 50.23 3i3b n ASN 110 Cb 0.50 1.09 -0.01 0.00 -0.53 0.00 0.00 39.78 40.84 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 0.34 1.43 -0.86 1.20 -0.04 -1.26 -1.27 135.00 134.54 3i3b n PRO 111 Ca 0.12 0.51 -0.01 0.00 -0.04 0.00 0.00 63.50 64.08 3i3b n PRO 111 Cb 0.69 -1.96 0.30 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.52 3.82 -3.02 0.54 -0.04 -1.26 -5.11 135.00 130.45 3i3b n PRO 112 Ca 0.09 -2.71 -0.33 0.00 -0.04 0.00 0.00 63.50 60.51 3i3b n PRO 112 Cb 0.35 -2.13 -0.06 0.00 -0.04 0.00 0.00 33.50 31.61 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 -2.61 3.39 0.25 0.54 0.08 -0.40 -4.29 117.98 114.94 3i3b s PHE 113 Ca 0.48 1.39 0.07 0.00 0.12 0.00 0.00 56.93 58.98 3i3b s PHE 113 Cb 0.38 -2.66 -0.05 0.00 -0.57 0.00 0.00 43.02 40.11 3i3b s PHE 113 CO 0.13 0.06 -0.08 0.14 -0.10 0.00 0.00 175.22 175.37 3i3b s VAL 114 N -1.99 1.61 0.62 -0.44 -7.23 -1.26 -4.56 120.40 107.16 3i3b s VAL 114 Ca 0.55 -2.14 -0.18 0.00 -1.81 0.00 0.00 61.98 58.41 3i3b s VAL 114 Cb -0.11 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 3i3b s VAL 114 CO 0.17 -0.39 0.78 -2.65 -0.31 0.00 0.00 175.10 172.70 3i3b n PRO 115 N -0.51 0.67 0.12 4.82 -0.02 -1.26 -4.88 135.00 133.94 3i3b n PRO 115 Ca -0.06 0.27 -0.02 0.00 -2.02 0.00 0.00 63.50 61.66 3i3b n PRO 115 Cb 0.63 -2.00 0.12 0.00 -0.02 0.00 0.00 33.50 32.23 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 0.23 1.49 -1.76 3.45 1.35 -2.00 -3.33 112.91 112.34 3i3b h THR 116 Ca -0.47 -2.33 -0.65 0.00 -0.55 0.00 0.00 66.41 62.41 3i3b h THR 116 Cb 1.37 2.26 -0.14 0.00 -1.73 0.00 0.00 68.15 69.91 3i3b h THR 116 CO 0.48 0.67 1.19 -1.61 -0.25 0.00 0.00 175.52 176.00 3i3b s GLU 117 N -3.47 3.62 -0.42 4.72 2.02 -1.26 -4.72 118.70 119.19 3i3b s GLU 117 Ca -0.01 -1.49 -0.01 0.00 0.02 0.00 0.00 54.97 53.48 3i3b s GLU 117 Cb 0.12 -5.14 0.11 0.00 0.10 0.00 0.00 34.13 29.32 3i3b s GLU 117 CO 0.77 -1.99 0.19 1.21 0.02 0.00 0.00 175.26 175.47 3i3b s ASN 118 N 4.25 5.11 -0.43 -0.19 3.84 -0.60 -4.97 114.94 121.95 3i3b s ASN 118 Ca 0.40 -2.17 -0.46 0.00 0.21 0.00 0.00 52.86 50.84 3i3b s ASN 118 Cb -0.02 -1.78 -0.19 0.00 -0.55 0.00 0.00 41.25 38.70 3i3b s ASN 118 CO -0.09 -0.48 1.58 -2.65 -2.79 0.00 0.00 177.10 172.67 3i3b n PRO 119 N 4.36 0.15 -4.81 0.43 -0.02 -1.19 -3.74 135.00 130.18 3i3b n PRO 119 Ca 0.00 0.06 -0.33 0.00 -2.02 0.00 0.00 63.50 61.21 3i3b n PRO 119 Cb 0.41 -1.58 -0.16 0.00 -0.02 0.00 0.00 33.50 32.15 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 2.85 2.45 -0.24 3.45 2.01 0.62 -1.11 115.64 125.67 3i3b s THR 120 Ca 1.03 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 62.11 3i3b s THR 120 Cb -1.43 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 3i3b s THR 120 CO 0.78 0.54 0.03 -0.83 -0.69 0.00 0.00 174.62 174.45 3i3b s GLY 121 N 0.58 1.72 -0.48 4.40 0.00 0.25 -0.77 107.32 113.01 3i3b s GLY 121 Ca -0.11 -1.13 -0.14 0.00 0.00 0.00 0.00 44.72 43.35 3i3b s GLY 121 CO 0.03 0.48 0.39 0.00 0.00 0.00 0.00 173.10 174.01 3i3b s TYR 123 N 1.55 3.54 -0.02 0.00 1.51 0.41 -1.95 117.35 122.40 3i3b s TYR 123 Ca 0.04 0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 56.37 3i3b s TYR 123 Cb -0.26 -1.87 0.02 0.00 -0.11 0.00 0.00 41.96 39.74 3i3b s TYR 123 CO 0.04 0.61 0.29 -1.54 -1.11 0.00 0.00 175.55 173.84 3i3b s SER 124 N -2.03 -0.17 -0.10 2.29 1.04 -0.37 0.71 113.70 115.05 3i3b s SER 124 Ca 0.30 0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.77 3i3b s SER 124 Cb -0.13 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.37 3i3b s SER 124 CO 0.20 -0.41 0.24 -0.22 0.98 0.00 0.00 173.24 174.04 3i3b s LEU 125 N -1.20 0.41 -0.26 2.42 2.96 -0.89 -1.66 118.68 120.46 3i3b s LEU 125 Ca -0.12 0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 54.20 3i3b s LEU 125 Cb -0.05 0.73 -0.05 0.00 0.50 0.00 0.00 46.19 47.32 3i3b s LEU 125 CO 0.04 -0.17 0.16 -0.89 -1.32 0.00 0.00 176.35 174.17 3i3b s THR 126 N 1.27 5.18 0.10 3.68 2.01 -1.26 -0.34 115.64 126.28 3i3b s THR 126 Ca -0.09 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 3i3b s THR 126 Cb -0.10 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 3i3b s THR 126 CO -0.09 0.29 0.05 0.72 -0.69 0.00 0.00 174.62 174.90 3i3b s PHE 127 N 1.56 0.69 0.23 4.92 -0.71 0.93 -4.93 117.98 120.66 3i3b s PHE 127 Ca 0.07 -1.12 -0.01 0.00 -1.04 0.00 0.00 56.93 54.83 3i3b s PHE 127 Cb -0.15 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 3i3b s PHE 127 CO 0.08 -0.49 0.43 1.21 -1.34 0.00 0.00 175.22 175.12 3i3b s ASN 128 N -2.99 6.39 -0.10 1.98 2.47 -1.26 0.06 114.94 121.49 3i3b s ASN 128 Ca 0.17 0.46 -0.04 0.00 0.42 0.00 0.00 52.86 53.87 3i3b s ASN 128 Cb 0.07 -2.03 0.05 0.00 -1.45 0.00 0.00 41.25 37.89 3i3b s ASN 128 CO -0.03 -0.09 0.21 -0.69 -3.72 0.00 0.00 177.10 172.78 3i3b s VAL 129 N -1.95 -0.18 0.29 -5.21 1.01 -0.71 -4.95 120.40 108.70 3i3b s VAL 129 Ca 0.39 0.24 -0.28 0.00 0.00 0.00 0.00 61.98 62.33 3i3b s VAL 129 Cb -0.11 -0.34 -0.09 0.00 0.00 0.00 0.00 36.38 35.83 3i3b s VAL 129 CO 0.30 0.10 1.00 -0.62 0.00 0.00 0.00 175.10 175.87 3i3b s ASP 130 N 1.76 7.34 0.53 3.32 2.15 -1.26 -1.91 116.67 128.60 3i3b s ASP 130 Ca -0.04 2.02 0.25 0.00 0.43 0.00 0.00 52.55 55.21 3i3b s ASP 130 Cb -0.11 -2.60 1.40 0.00 -0.30 0.00 0.00 42.92 41.30 3i3b s ASP 130 CO -0.07 -0.07 2.00 -0.08 -0.17 0.00 0.00 175.17 176.77 3i3b h GLU 131 N 3.57 0.00 -0.28 4.34 4.57 -1.95 0.56 114.58 125.39 3i3b h GLU 131 Ca -0.46 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 57.78 3i3b h GLU 131 Cb 1.20 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 3i3b h GLU 131 CO 0.66 0.00 0.20 0.66 -1.18 0.00 0.00 179.01 179.35 3i3b h SER 132 N 0.00 0.08 0.89 1.04 4.64 -1.98 0.18 113.55 118.41 3i3b h SER 132 Ca 0.24 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.37 3i3b h SER 132 Cb 0.98 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 3i3b h SER 132 CO -0.00 0.05 -0.92 -0.50 -0.87 0.00 0.00 176.83 174.59 3i3b h TRP 133 N 0.09 0.02 0.00 4.77 4.06 -1.17 -3.34 115.95 120.38 3i3b h TRP 133 Ca 0.13 -0.02 -0.15 0.00 2.06 0.00 0.00 58.89 60.91 3i3b h TRP 133 Cb 0.41 -0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.54 3i3b h TRP 133 CO -0.00 0.93 -1.42 1.28 -3.56 0.00 0.00 178.44 175.67 3i3b n LEU 134 N -3.46 0.82 0.22 -4.49 4.77 -0.40 -4.13 117.00 110.32 3i3b n LEU 134 Ca -0.01 0.35 0.06 0.00 -0.03 0.00 0.00 56.01 56.39 3i3b n LEU 134 Cb 0.87 0.07 0.50 0.00 -2.33 0.00 0.00 43.42 42.53 3i3b n LEU 134 CO 0.46 0.12 0.84 1.56 -1.33 0.00 0.00 177.39 179.05 3i3b h GLN 135 N 0.00 0.00 -3.76 3.23 4.20 -0.83 -3.45 115.11 114.50 3i3b h GLN 135 Ca -0.16 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.46 3i3b h GLN 135 Cb 1.54 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 29.17 3i3b h GLN 135 CO 0.04 0.24 -0.40 -2.00 -0.67 0.00 0.00 178.83 176.05 3i3b s GLU 136 N -4.28 0.78 2.02 1.46 2.56 -1.26 -5.12 118.70 114.87 3i3b s GLU 136 Ca -0.03 -0.88 0.00 0.00 0.00 0.00 0.00 54.97 54.07 3i3b s GLU 136 Cb 0.14 0.32 0.00 0.00 2.00 0.00 0.00 34.13 36.59 3i3b s GLU 136 CO 0.67 -0.24 0.00 0.41 -0.56 0.00 0.00 175.26 175.55 3i3b n GLY 137 N 0.18 -0.83 3.31 -1.50 0.00 -1.26 -4.74 105.19 100.35 3i3b n GLY 137 Ca -0.16 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 2.59 -0.20 1.61 0.74 0.17 -4.80 119.66 119.77 3i3b s GLN 138 Ca 0.00 -0.86 0.00 0.00 0.05 0.00 0.00 55.36 54.55 3i3b s GLN 138 Cb 0.00 -2.23 0.02 0.00 1.10 0.00 0.00 33.01 31.90 3i3b s GLN 138 CO 0.00 0.41 -0.15 0.99 -0.55 0.00 0.00 175.29 175.99 3i3b s THR 139 N -0.23 2.39 0.18 -0.34 2.01 -1.26 -0.33 115.64 118.06 3i3b s THR 139 Ca -0.01 -0.93 0.11 0.00 0.31 0.00 0.00 61.69 61.17 3i3b s THR 139 Cb -0.13 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 3i3b s THR 139 CO 0.03 0.44 -0.23 0.00 -0.69 0.00 0.00 174.62 174.16 3i3b s ARG 140 N 1.31 1.46 0.06 4.92 1.70 0.04 -0.96 118.95 127.48 3i3b s ARG 140 Ca 0.03 -1.49 0.02 0.00 -0.47 0.00 0.00 55.73 53.83 3i3b s ARG 140 Cb -0.14 -1.76 -0.04 0.00 -0.57 0.00 0.00 34.95 32.44 3i3b s ARG 140 CO -0.10 0.38 0.07 -1.50 -1.08 0.00 0.00 175.30 173.08 3i3b s ILE 141 N -1.68 4.55 -0.08 4.99 2.07 -0.17 -0.65 121.20 130.23 3i3b s ILE 141 Ca 0.19 -0.68 0.00 0.00 -1.41 0.00 0.00 60.65 58.76 3i3b s ILE 141 Cb -0.08 -3.16 0.02 0.00 0.13 0.00 0.00 42.46 39.38 3i3b s ILE 141 CO 0.09 0.19 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.61 3i3b s ILE 142 N -1.33 0.85 -0.38 2.00 1.01 0.14 -2.04 121.20 121.45 3i3b s ILE 142 Ca 0.27 -0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.65 3i3b s ILE 142 Cb -0.12 -0.86 0.09 0.00 0.01 0.00 0.00 42.46 41.58 3i3b s ILE 142 CO 0.20 0.32 0.16 -0.36 0.00 0.00 0.00 174.94 175.25 3i3b s PHE 143 N 1.29 3.46 0.28 3.97 0.40 -0.51 -1.07 117.98 125.80 3i3b s PHE 143 Ca -0.04 -2.12 0.34 0.00 -0.60 0.00 0.00 56.93 54.51 3i3b s PHE 143 Cb -0.14 -2.87 1.57 0.00 0.51 0.00 0.00 43.02 42.09 3i3b s PHE 143 CO -0.03 -0.90 2.07 -0.44 0.70 0.00 0.00 175.22 176.62 3i3b h ASP 144 N 8.09 0.00 -1.25 1.36 3.32 -1.38 0.31 116.42 126.87 3i3b h ASP 144 Ca -0.17 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.03 3i3b h ASP 144 Cb 1.06 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.38 3i3b h ASP 144 CO 0.66 0.04 0.08 -0.83 -1.72 0.00 0.00 179.24 177.47 3i3b s GLY 145 N -4.19 -0.42 -0.06 2.75 0.00 -1.26 -3.48 107.32 100.66 3i3b s GLY 145 Ca -0.01 2.73 -0.00 0.00 0.00 0.00 0.00 44.72 47.44 3i3b s GLY 145 CO 0.53 3.24 -0.02 0.14 0.00 0.00 0.00 173.10 176.99 3i3b s VAL 146 N 2.65 0.47 -0.26 1.40 1.01 -1.25 -2.44 120.40 121.98 3i3b s VAL 146 Ca -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 3i3b s VAL 146 Cb -0.09 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.72 3i3b s VAL 146 CO -0.18 0.25 0.03 0.21 0.00 0.00 0.00 175.10 175.42 3i3b s ASN 147 N 1.59 4.82 -0.00 3.32 3.84 0.35 -4.03 114.94 124.83 3i3b s ASN 147 Ca -0.00 -0.58 0.01 0.00 0.21 0.00 0.00 52.86 52.49 3i3b s ASN 147 Cb -0.13 -1.82 -0.01 0.00 -0.55 0.00 0.00 41.25 38.74 3i3b s ASN 147 CO -0.04 -0.12 0.02 -1.54 -2.79 0.00 0.00 177.10 172.64 3i3b n SER 148 N 4.83 0.10 -3.66 -4.21 3.41 -0.44 -0.69 113.62 112.96 3i3b n SER 148 Ca -0.16 -0.50 -0.13 0.00 -0.26 0.00 0.00 58.87 57.82 3i3b n SER 148 Cb 0.49 1.00 -0.06 0.00 -0.26 0.00 0.00 64.21 65.38 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 -1.07 -1.04 0.02 7.33 0.00 -1.14 -3.76 121.76 122.10 3i3b s ALA 149 Ca 0.00 0.38 -0.28 0.00 0.00 0.00 0.00 51.96 52.06 3i3b s ALA 149 Cb 0.00 0.31 0.08 0.00 0.00 0.00 0.00 23.12 23.51 3i3b s ALA 149 CO 0.02 -0.44 0.70 -0.59 0.00 0.00 0.00 175.76 175.45 3i3b s PHE 150 N -2.31 -0.56 -0.06 0.00 -0.71 -0.98 0.34 117.98 113.70 3i3b s PHE 150 Ca -0.06 0.70 0.02 0.00 -1.04 0.00 0.00 56.93 56.55 3i3b s PHE 150 Cb -0.01 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.25 3i3b s PHE 150 CO -0.01 -0.67 -0.11 -1.01 -1.34 0.00 0.00 175.22 172.08 3i3b s HIS 151 N -2.31 2.80 -0.09 3.49 3.76 -0.76 -1.86 115.29 120.33 3i3b s HIS 151 Ca -0.04 -0.08 0.02 0.00 -0.15 0.00 0.00 55.06 54.81 3i3b s HIS 151 Cb -0.01 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 32.01 3i3b s HIS 151 CO -0.01 0.25 -0.16 -1.17 -0.85 0.00 0.00 174.74 172.80 3i3b s LEU 152 N -0.77 2.59 0.11 0.89 2.96 0.06 -1.74 118.68 122.78 3i3b s LEU 152 Ca 0.12 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 53.79 3i3b s LEU 152 Cb -0.11 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3i3b s LEU 152 CO 0.01 0.24 -0.21 0.26 -1.32 0.00 0.00 176.35 175.34 3i3b s TRP 153 N -0.13 1.79 -0.08 5.38 0.51 -0.17 0.80 118.94 127.04 3i3b s TRP 153 Ca -0.02 -0.43 -0.03 0.00 -2.12 0.00 0.00 56.10 53.51 3i3b s TRP 153 Cb -0.14 -0.97 0.04 0.00 -0.81 0.00 0.00 33.47 31.59 3i3b s TRP 153 CO 0.04 0.22 0.06 0.00 -0.51 0.00 0.00 176.95 176.76 3i3b n ASN 155 N 5.27 -4.13 0.00 0.00 3.02 -0.12 -1.64 115.26 117.66 3i3b n ASN 155 Ca -0.05 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 3i3b n ASN 155 Cb 0.50 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 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 -1.70 2.85 3.78 7.41 0.00 -1.23 -5.01 105.19 111.29 3i3b n GLY 156 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.05 3.96 0.21 1.61 0.52 -0.65 -4.93 118.95 119.62 3i3b s ARG 157 Ca 0.00 -0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.86 3i3b s ARG 157 Cb 0.00 -3.33 -0.09 0.00 0.52 0.00 0.00 34.95 32.04 3i3b s ARG 157 CO 0.00 0.46 1.36 -0.46 0.02 0.00 0.00 175.30 176.68 3i3b s TRP 158 N -0.16 3.18 -0.15 -0.53 -0.00 -1.26 -0.46 118.94 119.55 3i3b s TRP 158 Ca 0.14 1.14 -0.10 0.00 -0.00 0.00 0.00 56.10 57.28 3i3b s TRP 158 Cb -0.12 -3.68 -0.06 0.00 -0.00 0.00 0.00 33.47 29.60 3i3b s TRP 158 CO 0.03 -2.18 -0.23 0.28 -0.00 0.00 0.00 176.95 174.86 3i3b n VAL 159 N 2.58 1.10 -3.42 5.86 0.31 0.24 -4.89 118.33 120.12 3i3b n VAL 159 Ca 0.07 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3i3b n VAL 159 Cb 0.42 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 3i3b n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i3b n GLY 160 N 1.99 1.05 3.12 2.92 0.00 -1.14 -4.74 105.19 108.39 3i3b n GLY 160 Ca -0.27 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.76 0.14 -0.04 1.61 5.04 -0.48 -0.76 117.35 119.11 3i3b s TYR 161 Ca 0.00 -0.39 -0.23 0.00 -2.44 0.00 0.00 57.07 54.01 3i3b s TYR 161 Cb 0.00 -0.10 0.05 0.00 0.35 0.00 0.00 41.96 42.25 3i3b s TYR 161 CO 0.00 -0.35 0.51 0.20 -1.34 0.00 0.00 175.55 174.57 3i3b s GLY 162 N -1.93 -0.39 0.37 8.97 0.00 -0.78 -1.12 107.32 112.44 3i3b s GLY 162 Ca -0.08 0.89 0.04 0.00 0.00 0.00 0.00 44.72 45.57 3i3b s GLY 162 CO -0.03 0.60 0.15 1.20 0.00 0.00 0.00 173.10 175.02 3i3b s GLN 163 N -1.21 1.81 -0.00 2.90 -0.21 -0.61 -2.31 119.66 120.03 3i3b s GLN 163 Ca -0.12 -2.08 -0.00 0.00 0.02 0.00 0.00 55.36 53.18 3i3b s GLN 163 Cb -0.02 -0.41 0.00 0.00 1.00 0.00 0.00 33.01 33.58 3i3b s GLN 163 CO 0.07 -0.47 0.00 -3.47 -2.12 0.00 0.00 175.29 169.31 3i3b n ASP 164 N -1.20 -2.04 0.15 5.90 -0.08 -1.25 -4.93 116.55 113.10 3i3b n ASP 164 Ca -0.03 0.03 0.12 0.00 -1.51 0.00 0.00 54.79 53.41 3i3b n ASP 164 Cb 0.65 -1.09 0.52 0.00 2.34 0.00 0.00 41.12 43.54 3i3b n ASP 164 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3i3b h SER 165 N 0.09 0.00 -0.33 1.67 0.02 -1.77 -3.32 113.55 109.91 3i3b h SER 165 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3i3b h SER 165 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3i3b h SER 165 CO 0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 3i3b n ARG 166 N -2.33 2.89 -4.18 3.45 5.12 -1.26 -3.79 116.66 116.55 3i3b n ARG 166 Ca 0.02 -2.19 -0.15 0.00 -1.93 0.00 0.00 57.85 53.59 3i3b n ARG 166 Cb 0.22 -1.37 -0.11 0.00 -1.16 0.00 0.00 32.46 30.04 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 -1.33 2.39 0.39 0.55 1.43 -1.25 -4.39 118.68 116.47 3i3b s LEU 167 Ca 0.27 -0.79 -0.25 0.00 -1.03 0.00 0.00 54.13 52.33 3i3b s LEU 167 Cb 0.16 -0.35 -0.09 0.00 0.03 0.00 0.00 46.19 45.94 3i3b s LEU 167 CO 0.14 -0.23 1.10 -2.16 0.23 0.00 0.00 176.35 175.44 3i3b s PRO 168 N -2.64 4.13 -0.18 1.29 0.04 -1.23 -4.47 135.00 131.95 3i3b s PRO 168 Ca 0.05 1.67 -0.00 0.00 0.04 0.00 0.00 61.00 62.75 3i3b s PRO 168 Cb -0.04 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.87 3i3b s PRO 168 CO 0.01 -0.21 -0.15 -1.12 0.04 0.00 0.00 177.00 175.58 3i3b s SER 169 N -1.34 3.60 -0.00 6.66 0.01 0.10 -4.95 113.70 117.77 3i3b s SER 169 Ca 0.57 -0.52 0.07 0.00 1.31 0.00 0.00 55.95 57.37 3i3b s SER 169 Cb -0.26 -1.57 -0.03 0.00 0.21 0.00 0.00 66.02 64.37 3i3b s SER 169 CO 0.33 0.03 -0.21 -1.61 0.41 0.00 0.00 173.24 172.19 3i3b s GLU 170 N 1.15 2.17 0.01 12.44 2.02 -1.26 -1.42 118.70 133.80 3i3b s GLU 170 Ca 0.01 -0.90 0.01 0.00 0.02 0.00 0.00 54.97 54.11 3i3b s GLU 170 Cb -0.14 -2.17 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 3i3b s GLU 170 CO -0.06 0.57 -0.04 -0.06 0.02 0.00 0.00 175.26 175.69 3i3b s PHE 171 N -0.76 0.39 -0.31 1.61 0.08 -0.87 -0.60 117.98 117.53 3i3b s PHE 171 Ca 0.12 -0.19 -0.27 0.00 0.12 0.00 0.00 56.93 56.71 3i3b s PHE 171 Cb -0.10 -0.25 0.01 0.00 -0.57 0.00 0.00 43.02 42.11 3i3b s PHE 171 CO 0.01 -0.04 0.98 0.34 -0.10 0.00 0.00 175.22 176.41 3i3b s ASP 172 N -0.50 6.85 0.00 1.36 -1.08 -1.26 -1.00 116.67 121.03 3i3b s ASP 172 Ca -0.02 0.94 0.15 0.00 -0.52 0.00 0.00 52.55 53.10 3i3b s ASP 172 Cb -0.04 -2.50 0.40 0.00 -1.46 0.00 0.00 42.92 39.33 3i3b s ASP 172 CO -0.00 -0.78 1.32 0.18 0.52 0.00 0.00 175.17 176.42 3i3b n LEU 173 N 6.61 3.22 -0.29 -1.34 4.77 -0.14 -4.64 117.00 125.19 3i3b n LEU 173 Ca 0.09 -1.89 0.17 0.00 -0.03 0.00 0.00 56.01 54.36 3i3b n LEU 173 Cb 0.47 -0.29 0.44 0.00 -2.33 0.00 0.00 43.42 41.71 3i3b n LEU 173 CO 0.56 0.79 1.22 0.28 -1.33 0.00 0.00 177.39 178.90 3i3b h SER 174 N 2.93 0.54 -0.05 -1.43 0.02 -1.84 -0.84 113.55 112.89 3i3b h SER 174 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3i3b h SER 174 Cb 0.81 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.32 3i3b h SER 174 CO 0.00 0.20 0.00 0.00 -1.14 0.00 0.00 176.83 175.89 3i3b n ALA 175 N -2.45 2.53 -0.00 3.77 0.00 -1.26 -4.19 120.51 118.90 3i3b n ALA 175 Ca 0.21 -0.54 0.04 0.00 0.00 0.00 0.00 53.44 53.15 3i3b n ALA 175 Cb 0.66 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.00 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 0.55 0.00 -2.40 0.00 3.01 -0.39 -5.05 117.46 113.19 3i3b n PHE 176 Ca 0.17 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.35 3i3b n PHE 176 Cb 0.43 -0.20 0.01 0.00 -0.01 0.00 0.00 39.48 39.71 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 -3.62 3.45 0.05 4.37 1.43 -0.78 -4.71 118.68 118.87 3i3b s LEU 177 Ca -0.03 1.02 -0.02 0.00 -1.03 0.00 0.00 54.13 54.07 3i3b s LEU 177 Cb 0.05 -3.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.27 3i3b s LEU 177 CO 0.35 -0.74 -0.00 0.00 0.23 0.00 0.00 176.35 176.19 3i3b s ARG 178 N -4.90 0.60 0.46 1.70 1.70 -1.26 -5.03 118.95 112.21 3i3b s ARG 178 Ca 0.50 -1.10 -0.25 0.00 -0.47 0.00 0.00 55.73 54.42 3i3b s ARG 178 Cb -0.11 0.21 -0.08 0.00 -0.57 0.00 0.00 34.95 34.41 3i3b s ARG 178 CO 0.47 -0.12 1.42 0.00 -1.08 0.00 0.00 175.30 175.99 3i3b s ALA 179 N -3.56 3.21 0.00 7.88 0.00 -1.26 -4.63 121.76 123.40 3i3b s ALA 179 Ca 0.04 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.44 3i3b s ALA 179 Cb 0.05 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3i3b s ALA 179 CO -0.09 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 174.89 3i3b n GLY 180 N 0.59 0.44 3.75 0.00 0.00 -0.80 -4.93 105.19 104.24 3i3b n GLY 180 Ca 0.05 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 4.62 0.04 1.61 0.41 -1.26 -1.74 118.70 122.38 3i3b s GLU 181 Ca 0.00 1.78 0.00 0.00 -0.41 0.00 0.00 54.97 56.35 3i3b s GLU 181 Cb 0.00 -3.22 -0.03 0.00 -1.78 0.00 0.00 34.13 29.10 3i3b s GLU 181 CO 0.00 0.16 -0.04 -0.80 -0.49 0.00 0.00 175.26 174.09 3i3b s ASN 182 N -0.60 0.52 -0.07 -0.19 0.01 0.11 -4.83 114.94 109.89 3i3b s ASN 182 Ca 0.46 -0.74 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 3i3b s ASN 182 Cb -0.31 0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.50 3i3b s ASN 182 CO 0.39 -0.41 -0.05 -0.60 -1.51 0.00 0.00 177.10 174.92 3i3b s ARG 183 N -2.63 1.01 0.30 -0.60 3.52 -1.26 -0.05 118.95 119.24 3i3b s ARG 183 Ca -0.04 -0.11 -0.02 0.00 -0.13 0.00 0.00 55.73 55.43 3i3b s ARG 183 Cb -0.02 -1.09 -0.04 0.00 -1.56 0.00 0.00 34.95 32.24 3i3b s ARG 183 CO -0.04 -0.17 0.52 -0.51 -0.81 0.00 0.00 175.30 174.29 3i3b s LEU 184 N 1.33 4.07 -0.13 -0.88 1.43 0.54 -0.95 118.68 124.09 3i3b s LEU 184 Ca -0.04 0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 53.55 3i3b s LEU 184 Cb -0.14 -3.36 0.06 0.00 0.03 0.00 0.00 46.19 42.79 3i3b s LEU 184 CO -0.03 -0.21 0.21 0.00 0.23 0.00 0.00 176.35 176.55 3i3b s ALA 185 N -2.15 -0.31 -0.17 4.21 0.00 -0.89 -2.10 121.76 120.36 3i3b s ALA 185 Ca 0.41 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.99 3i3b s ALA 185 Cb -0.10 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.05 3i3b s ALA 185 CO 0.33 -0.73 -0.14 0.08 0.00 0.00 0.00 175.76 175.29 3i3b s VAL 186 N 2.34 1.67 -0.47 0.00 1.01 0.22 -1.00 120.40 124.17 3i3b s VAL 186 Ca 0.03 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 3i3b s VAL 186 Cb -0.13 -1.60 0.08 0.00 0.00 0.00 0.00 36.38 34.73 3i3b s VAL 186 CO -0.08 0.40 0.38 -0.32 0.00 0.00 0.00 175.10 175.48 3i3b s MET 187 N 1.43 2.93 -0.19 2.72 1.75 -0.71 -0.44 119.30 126.79 3i3b s MET 187 Ca 0.03 -1.38 -0.15 0.00 -1.25 0.00 0.00 55.69 52.95 3i3b s MET 187 Cb -0.14 -4.09 -0.04 0.00 2.84 0.00 0.00 34.83 33.40 3i3b s MET 187 CO -0.10 -1.03 0.34 0.08 -0.65 0.00 0.00 175.02 173.66 3i3b s VAL 188 N 1.61 5.25 -0.14 10.11 1.01 0.40 -1.82 120.40 136.82 3i3b s VAL 188 Ca 0.04 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 62.52 3i3b s VAL 188 Cb -0.24 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 3i3b s VAL 188 CO 0.06 0.31 0.21 -0.76 0.00 0.00 0.00 175.10 174.92 3i3b s LEU 189 N 0.99 4.30 0.11 3.92 1.43 0.15 -0.58 118.68 129.00 3i3b s LEU 189 Ca 0.17 0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 53.57 3i3b s LEU 189 Cb -0.14 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 3i3b s LEU 189 CO 0.06 0.24 1.55 -0.09 0.23 0.00 0.00 176.35 178.34 3i3b h ARG 190 N 5.95 0.58 -6.49 1.70 2.43 -1.36 -1.13 114.38 116.06 3i3b h ARG 190 Ca -0.46 -0.19 -0.68 0.00 -0.81 0.00 0.00 59.98 57.84 3i3b h ARG 190 Cb 1.19 -0.05 -0.21 0.00 -0.42 0.00 0.00 29.97 30.47 3i3b h ARG 190 CO 0.69 0.71 -0.78 -1.58 -1.51 0.00 0.00 179.97 177.50 3i3b s TRP 191 N -5.00 2.63 0.34 2.20 0.23 -1.26 -3.95 118.94 114.13 3i3b s TRP 191 Ca -0.13 -0.21 -0.18 0.00 -2.03 0.00 0.00 56.10 53.55 3i3b s TRP 191 Cb 0.09 -1.51 0.04 0.00 0.03 0.00 0.00 33.47 32.12 3i3b s TRP 191 CO 0.77 0.26 0.77 -1.54 0.96 0.00 0.00 176.95 178.17 3i3b s SER 192 N -1.32 -0.10 0.43 2.95 1.04 -1.26 -4.90 113.70 110.54 3i3b s SER 192 Ca 0.15 -0.92 0.30 0.00 0.48 0.00 0.00 55.95 55.95 3i3b s SER 192 Cb -0.11 0.80 1.52 0.00 0.10 0.00 0.00 66.02 68.33 3i3b s SER 192 CO 0.05 -1.54 1.91 -2.24 0.98 0.00 0.00 173.24 172.40 3i3b h ASP 193 N 2.00 0.00 1.08 7.02 3.04 -0.28 0.76 116.42 130.04 3i3b h ASP 193 Ca -0.27 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.48 3i3b h ASP 193 Cb 1.25 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.53 3i3b h ASP 193 CO 0.34 0.00 -0.20 1.23 -2.04 0.00 0.00 179.24 178.56 3i3b h GLY 194 N 0.59 0.00 2.00 7.15 0.00 -1.91 -2.91 103.07 107.99 3i3b h GLY 194 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3i3b h GLY 194 CO 0.00 0.00 -0.06 1.76 0.00 0.00 0.00 176.54 178.24 3i3b h SER 195 N 0.00 0.00 0.59 0.19 0.02 -1.20 -0.99 113.55 112.16 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 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 3i3b h SER 195 CO 0.03 0.06 0.00 1.88 -1.14 0.00 0.00 176.83 177.66 3i3b h TYR 196 N 0.00 0.00 -0.42 3.45 0.05 -1.65 -1.77 116.97 116.63 3i3b h TYR 196 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3i3b h TYR 196 Cb 0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 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 3.17 -2.91 3.88 4.77 -0.38 -4.43 117.00 118.38 3i3b n LEU 197 Ca 0.00 -1.81 -0.21 0.00 -0.03 0.00 0.00 56.01 53.96 3i3b n LEU 197 Cb 0.20 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3i3b n LEU 197 CO 0.21 0.76 -0.01 -0.62 -1.33 0.00 0.00 177.39 176.39 3i3b n GLU 198 N 0.97 2.18 -1.32 3.23 1.02 -0.67 -0.88 120.64 125.16 3i3b n GLU 198 Ca 0.16 -4.05 -0.33 0.00 -0.02 0.00 0.00 57.16 52.91 3i3b n GLU 198 Cb 0.49 -1.90 0.10 0.00 -0.02 0.00 0.00 31.44 30.10 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 -0.08 6.99 -4.77 1.62 2.03 0.09 -4.96 116.55 117.48 3i3b n ASP 199 Ca 0.27 -3.76 -0.38 0.00 0.52 0.00 0.00 54.79 51.44 3i3b n ASP 199 Cb 0.59 -0.94 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 -3.74 3.74 -1.04 -0.67 1.11 -1.26 -4.55 119.66 113.26 3i3b s GLN 200 Ca 0.63 2.00 -0.23 0.00 0.01 0.00 0.00 55.36 57.77 3i3b s GLN 200 Cb 0.50 -2.52 -0.04 0.00 -1.01 0.00 0.00 33.01 29.94 3i3b s GLN 200 CO 0.01 -0.63 1.86 0.34 0.01 0.00 0.00 175.29 176.88 3i3b s ASP 201 N -1.05 5.44 0.20 5.90 2.15 -1.26 -4.81 116.67 123.25 3i3b s ASP 201 Ca 0.62 -1.23 -0.22 0.00 0.43 0.00 0.00 52.55 52.15 3i3b s ASP 201 Cb -0.34 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 39.77 3i3b s ASP 201 CO 0.42 -2.54 0.97 0.00 -0.17 0.00 0.00 175.17 173.85 3i3b s MET 202 N 6.33 1.41 0.47 4.34 0.23 -1.25 -4.99 119.30 125.84 3i3b s MET 202 Ca 0.65 -0.86 -0.25 0.00 -1.03 0.00 0.00 55.69 54.20 3i3b s MET 202 Cb -0.03 0.43 -0.08 0.00 -1.53 0.00 0.00 34.83 33.62 3i3b s MET 202 CO 0.03 -0.66 1.41 -1.58 -2.03 0.00 0.00 175.02 172.19 3i3b s TRP 203 N -2.66 2.44 -0.42 3.16 0.52 -1.26 -4.22 118.94 116.51 3i3b s TRP 203 Ca 0.17 1.29 -0.11 0.00 0.02 0.00 0.00 56.10 57.47 3i3b s TRP 203 Cb -0.03 -3.88 0.06 0.00 -1.15 0.00 0.00 33.47 28.47 3i3b s TRP 203 CO 0.05 -2.89 0.28 1.03 0.02 0.00 0.00 176.95 175.44 3i3b s ARG 204 N -2.53 2.77 0.00 4.98 1.81 0.31 -4.94 118.95 121.35 3i3b s ARG 204 Ca 0.63 -1.30 0.00 0.00 -1.72 0.00 0.00 55.73 53.34 3i3b s ARG 204 Cb -0.43 -3.85 0.00 0.00 -0.45 0.00 0.00 34.95 30.22 3i3b s ARG 204 CO 0.54 -0.88 0.00 -1.33 -0.68 0.00 0.00 175.30 172.95 3i3b n MET 205 N 5.02 2.29 -3.64 3.54 2.81 -1.26 -2.40 117.12 123.47 3i3b n MET 205 Ca -0.11 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.75 3i3b n MET 205 Cb 0.44 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.94 3i3b n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3i3b s SER 206 N -0.43 -0.18 0.00 7.83 1.04 -1.26 -4.83 113.70 115.87 3i3b s SER 206 Ca 0.00 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.24 3i3b s SER 206 Cb 0.00 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3i3b s SER 206 CO 0.00 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.26 3i3b n GLY 207 N -0.37 0.31 3.39 7.32 0.00 0.13 -2.09 105.19 113.88 3i3b n GLY 207 Ca -0.06 -2.27 -0.45 0.00 0.00 0.00 0.00 46.02 43.24 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 -0.19 5.55 -2.28 -0.61 1.01 -1.20 -0.50 121.20 122.98 3i3b s ILE 208 Ca 0.00 -2.92 0.29 0.00 0.00 0.00 0.00 60.65 58.02 3i3b s ILE 208 Cb 0.00 -4.71 0.61 0.00 0.01 0.00 0.00 42.46 38.37 3i3b s ILE 208 CO 0.00 -1.34 1.85 2.22 0.00 0.00 0.00 174.94 177.67 3i3b n PHE 209 N 4.11 0.00 -4.46 3.97 -1.74 -1.02 -0.92 117.46 117.40 3i3b n PHE 209 Ca 0.27 0.00 -0.22 0.00 -0.56 0.00 0.00 57.45 56.94 3i3b n PHE 209 Cb 0.42 -0.02 -0.10 0.00 1.52 0.00 0.00 39.48 41.30 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 -2.07 1.69 0.62 3.97 0.52 -1.16 -4.39 118.95 118.13 3i3b s ARG 210 Ca 0.39 -1.96 -0.18 0.00 -0.52 0.00 0.00 55.73 53.46 3i3b s ARG 210 Cb 0.21 -0.79 -0.04 0.00 0.52 0.00 0.00 34.95 34.85 3i3b s ARG 210 CO 0.37 -0.25 0.92 -0.25 0.02 0.00 0.00 175.30 176.10 3i3b n ASP 211 N -0.79 0.54 -4.15 0.23 8.00 -1.26 -4.47 116.55 114.65 3i3b n ASP 211 Ca -0.03 0.77 -0.28 0.00 0.71 0.00 0.00 54.79 55.96 3i3b n ASP 211 Cb 0.66 -1.37 -0.16 0.00 -0.02 0.00 0.00 41.12 40.23 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 -1.57 1.59 0.20 2.53 1.01 -1.26 -1.13 120.40 121.78 3i3b s VAL 212 Ca 0.76 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 3i3b s VAL 212 Cb -0.41 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3i3b s VAL 212 CO 0.47 0.45 0.31 -0.94 0.00 0.00 0.00 175.10 175.40 3i3b s SER 213 N 0.24 0.02 -0.13 3.32 1.04 -0.23 -0.18 113.70 117.78 3i3b s SER 213 Ca -0.10 -1.01 0.02 0.00 0.48 0.00 0.00 55.95 55.34 3i3b s SER 213 Cb -0.14 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.46 3i3b s SER 213 CO 0.04 -0.96 -0.19 -0.22 0.98 0.00 0.00 173.24 172.89 3i3b s LEU 214 N -3.03 1.95 -0.11 2.42 2.96 0.57 0.25 118.68 123.69 3i3b s LEU 214 Ca 0.24 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 3i3b s LEU 214 Cb 0.03 -1.31 -0.01 0.00 0.50 0.00 0.00 46.19 45.40 3i3b s LEU 214 CO 0.06 0.04 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.71 3i3b s LEU 215 N 0.96 2.34 -0.18 -0.68 2.96 0.18 -0.64 118.68 123.62 3i3b s LEU 215 Ca -0.05 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.34 3i3b s LEU 215 Cb -0.15 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3i3b s LEU 215 CO -0.03 0.17 0.02 -2.28 -1.32 0.00 0.00 176.35 172.91 3i3b s HIS 216 N 0.30 3.14 0.07 5.38 5.65 -0.20 -0.78 115.29 128.85 3i3b s HIS 216 Ca -0.15 -0.14 0.07 0.00 0.25 0.00 0.00 55.06 55.10 3i3b s HIS 216 Cb -0.17 -2.05 -0.03 0.00 -1.18 0.00 0.00 32.58 29.16 3i3b s HIS 216 CO 0.07 0.02 -0.20 0.15 -0.65 0.00 0.00 174.74 174.13 3i3b s LYS 217 N 0.50 1.24 1.00 2.88 -0.14 0.55 -4.75 119.74 121.02 3i3b s LYS 217 Ca 0.00 -1.01 -0.12 0.00 -1.36 0.00 0.00 55.97 53.48 3i3b s LYS 217 Cb -0.13 -1.40 0.19 0.00 -1.68 0.00 0.00 37.83 34.81 3i3b s LYS 217 CO 0.02 0.34 1.09 -2.14 -0.76 0.00 0.00 175.35 173.90 3i3b s PRO 218 N -1.47 0.41 0.10 -1.68 0.02 -1.26 0.46 135.00 131.57 3i3b s PRO 218 Ca 0.06 0.55 -0.16 0.00 0.02 0.00 0.00 61.00 61.48 3i3b s PRO 218 Cb -0.09 -1.73 -0.08 0.00 0.02 0.00 0.00 34.50 32.62 3i3b s PRO 218 CO 0.03 -2.76 1.45 1.15 -0.33 0.00 0.00 177.00 176.54 3i3b h THR 219 N -1.91 1.30 -3.60 0.99 2.02 -1.93 -3.36 112.91 106.41 3i3b h THR 219 Ca -0.55 -1.32 -0.62 0.00 0.77 0.00 0.00 66.41 64.69 3i3b h THR 219 Cb 1.33 1.52 -0.13 0.00 -1.74 0.00 0.00 68.15 69.13 3i3b h THR 219 CO 0.57 0.42 0.35 -0.89 0.37 0.00 0.00 175.52 176.34 3i3b s THR 220 N -4.51 4.67 0.16 3.16 2.01 -1.26 -3.87 115.64 116.00 3i3b s THR 220 Ca -0.13 0.54 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 3i3b s THR 220 Cb 0.08 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 3i3b s THR 220 CO 0.81 -0.64 0.10 0.00 -0.69 0.00 0.00 174.62 174.20 3i3b s GLN 221 N 3.23 1.05 -0.45 4.92 -2.07 -0.41 -4.91 119.66 121.02 3i3b s GLN 221 Ca 0.30 -1.50 -0.25 0.00 -1.82 0.00 0.00 55.36 52.09 3i3b s GLN 221 Cb -0.12 0.26 0.03 0.00 -1.09 0.00 0.00 33.01 32.08 3i3b s GLN 221 CO 0.21 -0.32 0.90 0.42 -1.32 0.00 0.00 175.29 175.18 3i3b s ILE 222 N -4.09 4.51 -0.54 3.63 1.01 -1.26 -1.69 121.20 122.78 3i3b s ILE 222 Ca 0.30 0.75 0.23 0.00 0.00 0.00 0.00 60.65 61.93 3i3b s ILE 222 Cb 0.07 -4.40 -0.09 0.00 0.01 0.00 0.00 42.46 38.05 3i3b s ILE 222 CO 0.06 -0.78 1.04 -1.54 0.00 0.00 0.00 174.94 173.72 3i3b n SER 223 N 7.04 0.62 -3.63 3.58 3.41 0.29 -4.94 113.62 120.00 3i3b n SER 223 Ca 0.06 -0.08 -0.03 0.00 -0.26 0.00 0.00 58.87 58.55 3i3b n SER 223 Cb 0.48 0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 65.12 3i3b n SER 223 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i3b s ASP 224 N -4.18 -0.08 -0.23 4.04 2.15 -1.16 -4.91 116.67 112.30 3i3b s ASP 224 Ca 0.03 0.05 -0.25 0.00 0.43 0.00 0.00 52.55 52.80 3i3b s ASP 224 Cb 0.14 0.07 0.07 0.00 -0.30 0.00 0.00 42.92 42.89 3i3b s ASP 224 CO 0.79 -0.10 0.70 0.72 -0.17 0.00 0.00 175.17 177.11 3i3b s PHE 225 N -1.60 -0.75 -0.03 -5.34 -0.71 -1.26 -0.14 117.98 108.15 3i3b s PHE 225 Ca 0.09 1.75 0.06 0.00 -1.04 0.00 0.00 56.93 57.79 3i3b s PHE 225 Cb -0.01 0.29 -0.01 0.00 -1.21 0.00 0.00 43.02 42.07 3i3b s PHE 225 CO -0.05 -0.41 -0.21 -1.01 -1.34 0.00 0.00 175.22 172.20 3i3b s HIS 226 N 0.11 2.00 -0.12 3.49 3.76 -0.23 -4.84 115.29 119.46 3i3b s HIS 226 Ca -0.02 -0.49 0.01 0.00 -0.15 0.00 0.00 55.06 54.41 3i3b s HIS 226 Cb -0.04 -1.31 -0.01 0.00 1.11 0.00 0.00 32.58 32.33 3i3b s HIS 226 CO 0.02 -0.12 -0.17 0.08 -0.85 0.00 0.00 174.74 173.70 3i3b s VAL 227 N -0.26 2.68 0.10 -0.90 1.01 -1.26 -1.29 120.40 120.47 3i3b s VAL 227 Ca 0.02 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3i3b s VAL 227 Cb -0.11 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3i3b s VAL 227 CO 0.01 0.54 -0.12 0.00 0.00 0.00 0.00 175.10 175.53 3i3b s ALA 228 N 0.35 1.25 -0.09 5.51 0.00 0.05 -4.84 121.76 124.00 3i3b s ALA 228 Ca -0.14 -1.17 -0.03 0.00 0.00 0.00 0.00 51.96 50.62 3i3b s ALA 228 Cb -0.17 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 22.96 3i3b s ALA 228 CO 0.07 0.06 0.07 0.95 0.00 0.00 0.00 175.76 176.91 3i3b s THR 229 N -2.03 -0.07 0.16 0.00 -4.23 -1.26 -0.77 115.64 107.44 3i3b s THR 229 Ca 0.05 0.20 0.09 0.00 -1.18 0.00 0.00 61.69 60.85 3i3b s THR 229 Cb -0.05 -0.32 -0.04 0.00 1.34 0.00 0.00 72.50 73.42 3i3b s THR 229 CO 0.02 0.02 -0.13 0.00 -0.54 0.00 0.00 174.62 173.99 3i3b s ARG 230 N 2.15 1.94 0.33 3.99 1.70 -0.95 -4.82 118.95 123.29 3i3b s ARG 230 Ca 0.04 -1.26 0.05 0.00 -0.47 0.00 0.00 55.73 54.09 3i3b s ARG 230 Cb -0.13 -2.13 -0.07 0.00 -0.57 0.00 0.00 34.95 32.05 3i3b s ARG 230 CO -0.05 0.45 0.02 -0.06 -1.08 0.00 0.00 175.30 174.58 3i3b s PHE 231 N -1.54 2.06 0.86 5.89 0.40 -1.26 -1.63 117.98 122.77 3i3b s PHE 231 Ca 0.23 -0.85 -0.08 0.00 -0.60 0.00 0.00 56.93 55.63 3i3b s PHE 231 Cb -0.09 -1.33 0.18 0.00 0.51 0.00 0.00 43.02 42.29 3i3b s PHE 231 CO 0.13 0.15 1.18 0.54 0.70 0.00 0.00 175.22 177.92 3i3b s ASN 232 N -3.52 3.55 0.25 1.36 4.22 -0.81 -4.94 114.94 115.05 3i3b s ASN 232 Ca 0.35 -0.22 -0.03 0.00 -2.14 0.00 0.00 52.86 50.81 3i3b s ASN 232 Cb 0.08 0.10 0.43 0.00 1.28 0.00 0.00 41.25 43.14 3i3b s ASN 232 CO 0.15 -2.42 1.81 -2.24 -2.04 0.00 0.00 177.10 172.36 3i3b h ASP 233 N -1.14 0.68 -0.72 3.54 3.04 -2.02 -2.66 116.42 117.15 3i3b h ASP 233 Ca -0.39 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 3i3b h ASP 233 Cb 1.24 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.45 3i3b h ASP 233 CO 0.34 0.37 0.00 -0.90 -2.04 0.00 0.00 179.24 177.01 3i3b n ASP 234 N -4.75 4.31 -1.74 4.15 5.68 -1.26 -4.93 116.55 118.01 3i3b n ASP 234 Ca 0.15 -2.17 -0.21 0.00 -0.50 0.00 0.00 54.79 52.06 3i3b n ASP 234 Cb 0.31 -0.53 -0.07 0.00 -1.14 0.00 0.00 41.12 39.68 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 1.50 -0.19 0.70 2.11 3.01 -1.00 -4.83 117.46 118.76 3i3b n PHE 235 Ca 0.25 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.84 3i3b n PHE 235 Cb 0.73 -3.56 0.32 0.00 -0.01 0.00 0.00 39.48 36.96 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 -1.47 0.62 -3.90 4.37 3.41 -1.26 -4.55 113.62 110.84 3i3b n SER 236 Ca -0.22 0.28 -0.14 0.00 -0.26 0.00 0.00 58.87 58.53 3i3b n SER 236 Cb 0.68 -0.24 -0.14 0.00 -0.26 0.00 0.00 64.21 64.25 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 -3.10 0.22 0.08 4.33 0.52 -1.26 0.37 118.95 120.10 3i3b s ARG 237 Ca 0.09 -0.07 0.01 0.00 -0.52 0.00 0.00 55.73 55.24 3i3b s ARG 237 Cb 0.14 -0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.33 3i3b s ARG 237 CO 0.65 0.03 -0.05 0.00 0.02 0.00 0.00 175.30 175.95 3i3b s ALA 238 N 0.06 0.78 -0.10 2.13 0.00 0.07 -1.93 121.76 122.77 3i3b s ALA 238 Ca -0.00 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.69 3i3b s ALA 238 Cb -0.02 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.31 3i3b s ALA 238 CO -0.00 -0.28 -0.11 0.08 0.00 0.00 0.00 175.76 175.45 3i3b s VAL 239 N -3.66 1.20 -0.24 0.00 1.01 -0.65 -0.48 120.40 117.58 3i3b s VAL 239 Ca 0.09 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 3i3b s VAL 239 Cb 0.06 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 3i3b s VAL 239 CO -0.07 0.39 0.23 -0.22 0.00 0.00 0.00 175.10 175.43 3i3b s LEU 240 N 1.30 4.10 -0.17 3.92 0.20 0.14 -2.23 118.68 125.94 3i3b s LEU 240 Ca -0.02 0.20 -0.00 0.00 0.69 0.00 0.00 54.13 54.99 3i3b s LEU 240 Cb -0.14 -2.22 0.00 0.00 -0.43 0.00 0.00 46.19 43.40 3i3b s LEU 240 CO -0.04 -0.00 -0.14 -0.70 -0.29 0.00 0.00 176.35 175.17 3i3b s GLU 241 N 1.29 3.20 -0.22 1.98 2.12 0.05 -0.27 118.70 126.84 3i3b s GLU 241 Ca 0.10 -0.75 0.02 0.00 0.36 0.00 0.00 54.97 54.71 3i3b s GLU 241 Cb -0.14 -2.67 0.05 0.00 0.26 0.00 0.00 34.13 31.62 3i3b s GLU 241 CO 0.07 -0.06 -0.12 0.00 -0.54 0.00 0.00 175.26 174.60 3i3b s ALA 242 N 1.00 2.29 -0.15 6.30 0.00 0.35 -0.77 121.76 130.79 3i3b s ALA 242 Ca -0.02 -1.44 -0.17 0.00 0.00 0.00 0.00 51.96 50.33 3i3b s ALA 242 Cb -0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 3i3b s ALA 242 CO -0.03 -0.89 0.45 -2.00 0.00 0.00 0.00 175.76 173.29 3i3b s GLU 243 N 1.26 4.29 -0.08 0.00 2.12 -0.41 -0.71 118.70 125.16 3i3b s GLU 243 Ca -0.03 0.37 0.05 0.00 0.36 0.00 0.00 54.97 55.72 3i3b s GLU 243 Cb -0.17 -3.46 -0.00 0.00 0.26 0.00 0.00 34.13 30.75 3i3b s GLU 243 CO -0.08 0.10 -0.23 0.08 -0.54 0.00 0.00 175.26 174.59 3i3b s VAL 244 N 0.83 1.97 0.02 3.70 1.01 0.91 -1.07 120.40 127.78 3i3b s VAL 244 Ca 0.24 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3i3b s VAL 244 Cb -0.15 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3i3b s VAL 244 CO 0.09 0.55 -0.14 -1.10 0.00 0.00 0.00 175.10 174.49 3i3b s GLN 245 N 0.15 2.27 0.19 2.72 -0.21 0.80 -1.39 119.66 124.20 3i3b s GLN 245 Ca -0.12 -0.87 0.06 0.00 0.02 0.00 0.00 55.36 54.45 3i3b s GLN 245 Cb -0.16 -2.30 -0.05 0.00 1.00 0.00 0.00 33.01 31.50 3i3b s GLN 245 CO 0.06 0.57 -0.11 0.00 -2.12 0.00 0.00 175.29 173.70 3i3b s MET 246 N -1.34 1.25 0.14 2.91 0.23 -0.68 -0.55 119.30 121.27 3i3b s MET 246 Ca 0.15 -1.56 0.05 0.00 -1.03 0.00 0.00 55.69 53.30 3i3b s MET 246 Cb -0.11 -0.89 -0.04 0.00 -1.53 0.00 0.00 34.83 32.26 3i3b s MET 246 CO 0.05 0.10 -0.12 0.00 -2.03 0.00 0.00 175.02 173.03 3i3b n GLY 248 N 0.08 -0.58 3.66 0.00 0.00 -1.25 -1.29 105.19 105.81 3i3b n GLY 248 Ca -0.12 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.29 3i3b n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i3b s GLU 249 N 0.00 4.25 0.19 1.61 2.12 -1.26 -5.00 118.70 120.61 3i3b s GLU 249 Ca 0.00 1.01 -0.30 0.00 0.36 0.00 0.00 54.97 56.04 3i3b s GLU 249 Cb 0.00 -3.60 -0.08 0.00 0.26 0.00 0.00 34.13 30.70 3i3b s GLU 249 CO 0.00 -0.42 1.24 -0.51 -0.54 0.00 0.00 175.26 175.04 3i3b s LEU 250 N 2.47 4.44 0.01 2.70 1.43 -1.26 -5.00 118.68 123.47 3i3b s LEU 250 Ca 0.37 2.31 0.01 0.00 -1.03 0.00 0.00 54.13 55.80 3i3b s LEU 250 Cb -0.16 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 3i3b s LEU 250 CO 0.10 -0.44 -0.05 -0.13 0.23 0.00 0.00 176.35 176.06 3i3b s ARG 251 N -0.24 0.39 0.56 1.70 1.81 -1.26 -5.04 118.95 116.87 3i3b s ARG 251 Ca 0.54 -0.38 0.30 0.00 -1.72 0.00 0.00 55.73 54.47 3i3b s ARG 251 Cb -0.34 -0.27 1.66 0.00 -0.45 0.00 0.00 34.95 35.54 3i3b s ARG 251 CO 0.38 0.06 2.16 -0.44 -0.68 0.00 0.00 175.30 176.78 3i3b h ASP 252 N 5.44 0.00 0.54 0.23 3.32 -1.99 -2.22 116.42 121.74 3i3b h ASP 252 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3i3b h ASP 252 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3i3b h ASP 252 CO 0.46 0.07 -0.20 0.00 -1.72 0.00 0.00 179.24 177.85 3i3b n TYR 253 N -3.64 0.00 -2.27 4.55 0.18 -1.26 -4.88 117.16 109.85 3i3b n TYR 253 Ca -0.02 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.38 3i3b n TYR 253 Cb 0.17 -0.27 -0.02 0.00 -0.38 0.00 0.00 39.34 38.85 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 -2.74 4.14 0.05 -3.48 1.43 -0.84 -0.04 118.68 117.19 3i3b s LEU 254 Ca 0.20 2.35 -0.01 0.00 -1.03 0.00 0.00 54.13 55.64 3i3b s LEU 254 Cb 0.19 -4.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 3i3b s LEU 254 CO 0.55 -0.77 -0.02 -0.13 0.23 0.00 0.00 176.35 176.22 3i3b s ARG 255 N -2.42 0.58 -0.07 1.70 1.81 0.41 -4.23 118.95 116.72 3i3b s ARG 255 Ca 0.59 -1.12 0.01 0.00 -1.72 0.00 0.00 55.73 53.49 3i3b s ARG 255 Cb -0.30 0.20 0.02 0.00 -0.45 0.00 0.00 34.95 34.42 3i3b s ARG 255 CO 0.38 -0.11 -0.07 0.08 -0.68 0.00 0.00 175.30 174.91 3i3b s VAL 256 N -3.57 0.79 -0.09 3.52 1.01 -0.67 -0.70 120.40 120.69 3i3b s VAL 256 Ca 0.04 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3i3b s VAL 256 Cb 0.05 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 3i3b s VAL 256 CO -0.09 0.30 -0.22 -0.89 0.00 0.00 0.00 175.10 174.21 3i3b s THR 257 N 1.22 2.32 -0.13 3.92 2.01 -0.02 -1.70 115.64 123.26 3i3b s THR 257 Ca -0.05 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.03 3i3b s THR 257 Cb -0.14 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.48 3i3b s THR 257 CO -0.02 0.56 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.56 3i3b s VAL 258 N 0.11 2.14 0.01 3.82 1.01 0.40 -0.33 120.40 127.56 3i3b s VAL 258 Ca -0.11 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 60.96 3i3b s VAL 258 Cb -0.16 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 3i3b s VAL 258 CO 0.06 0.55 -0.18 -0.94 0.00 0.00 0.00 175.10 174.59 3i3b s SER 259 N 0.62 2.09 -0.13 3.32 1.04 -0.71 -0.41 113.70 119.52 3i3b s SER 259 Ca -0.12 -0.40 -0.02 0.00 0.48 0.00 0.00 55.95 55.89 3i3b s SER 259 Cb -0.16 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.74 3i3b s SER 259 CO 0.03 0.16 -0.07 -0.22 0.98 0.00 0.00 173.24 174.12 3i3b s LEU 260 N -0.78 3.09 0.04 2.42 2.96 0.14 -1.16 118.68 125.39 3i3b s LEU 260 Ca 0.06 -0.15 0.08 0.00 -0.22 0.00 0.00 54.13 53.89 3i3b s LEU 260 Cb -0.08 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3i3b s LEU 260 CO 0.00 0.21 -0.23 0.26 -1.32 0.00 0.00 176.35 175.28 3i3b s TRP 261 N 0.08 1.98 -0.54 5.38 0.52 0.34 -0.20 118.94 126.51 3i3b s TRP 261 Ca -0.02 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.75 3i3b s TRP 261 Cb -0.14 -1.18 0.14 0.00 -1.15 0.00 0.00 33.47 31.13 3i3b s TRP 261 CO 0.03 0.10 0.29 -1.14 0.02 0.00 0.00 176.95 176.25 3i3b s GLN 262 N -1.18 1.97 6.64 4.98 0.74 -0.45 -0.31 119.66 132.05 3i3b s GLN 262 Ca 0.09 -2.66 0.00 0.00 0.05 0.00 0.00 55.36 52.84 3i3b s GLN 262 Cb -0.09 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.80 3i3b s GLN 262 CO 0.02 -1.14 0.00 0.41 -0.55 0.00 0.00 175.29 174.03 3i3b n GLY 263 N 2.99 1.22 0.54 2.59 0.00 -1.26 -2.48 105.19 108.79 3i3b n GLY 263 Ca 0.08 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.68 3i3b n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i3b n GLU 264 N 12.41 1.59 -3.24 1.61 1.02 -1.26 -4.85 120.64 127.93 3i3b n GLU 264 Ca 0.00 -1.09 -0.42 0.00 -0.02 0.00 0.00 57.16 55.63 3i3b n GLU 264 Cb 0.00 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 29.86 3i3b n GLU 264 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3i3b s THR 265 N -2.17 5.00 -0.01 2.62 2.01 -1.03 -5.04 115.64 117.01 3i3b s THR 265 Ca 0.30 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 3i3b s THR 265 Cb 0.20 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 3i3b s THR 265 CO 0.40 -0.35 1.36 -1.58 -0.69 0.00 0.00 174.62 173.76 3i3b s GLN 266 N 2.42 4.29 -0.15 4.92 0.74 -1.26 -1.35 119.66 129.27 3i3b s GLN 266 Ca 0.18 1.91 0.10 0.00 0.05 0.00 0.00 55.36 57.59 3i3b s GLN 266 Cb -0.16 -3.57 -0.23 0.00 1.10 0.00 0.00 33.01 30.15 3i3b s GLN 266 CO 0.15 -0.55 0.24 0.28 -0.55 0.00 0.00 175.29 174.85 3i3b n VAL 267 N 4.67 1.53 -3.46 1.34 0.31 0.72 -4.95 118.33 118.49 3i3b n VAL 267 Ca 0.13 -0.76 -0.13 0.00 -0.01 0.00 0.00 64.34 63.56 3i3b n VAL 267 Cb 0.44 -0.98 -0.03 0.00 -0.91 0.00 0.00 33.84 32.36 3i3b n VAL 267 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i3b s ALA 268 N -2.54 -1.60 -0.10 3.52 0.00 -1.14 -4.98 121.76 114.91 3i3b s ALA 268 Ca -0.15 0.66 -0.21 0.00 0.00 0.00 0.00 51.96 52.27 3i3b s ALA 268 Cb 0.07 0.66 0.05 0.00 0.00 0.00 0.00 23.12 23.90 3i3b s ALA 268 CO 0.78 -0.66 0.51 0.45 0.00 0.00 0.00 175.76 176.84 3i3b s SER 269 N -2.36 -0.48 -0.06 0.00 0.15 -1.26 0.26 113.70 109.93 3i3b s SER 269 Ca -0.02 0.69 -0.11 0.00 0.70 0.00 0.00 55.95 57.21 3i3b s SER 269 Cb -0.01 0.71 0.02 0.00 -1.71 0.00 0.00 66.02 65.04 3i3b s SER 269 CO -0.07 -0.38 0.27 -0.83 1.20 0.00 0.00 173.24 173.43 3i3b s GLY 270 N -0.60 -0.16 0.02 9.45 0.00 0.45 -4.98 107.32 111.49 3i3b s GLY 270 Ca -0.07 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.21 3i3b s GLY 270 CO 0.04 0.39 -0.09 -1.59 0.00 0.00 0.00 173.10 171.85 3i3b s THR 271 N -0.52 0.66 -0.03 0.90 2.01 -1.26 -0.46 115.64 116.94 3i3b s THR 271 Ca -0.06 -0.75 -0.29 0.00 0.31 0.00 0.00 61.69 60.90 3i3b s THR 271 Cb -0.04 -0.63 0.09 0.00 0.01 0.00 0.00 72.50 71.93 3i3b s THR 271 CO 0.02 -0.09 0.78 0.00 -0.69 0.00 0.00 174.62 174.65 3i3b s ALA 272 N -0.77 -1.79 0.76 7.40 0.00 -0.69 -4.99 121.76 121.67 3i3b s ALA 272 Ca -0.02 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.01 3i3b s ALA 272 Cb -0.07 0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.15 3i3b s ALA 272 CO 0.00 -0.48 1.13 -1.25 0.00 0.00 0.00 175.76 175.16 3i3b s PRO 273 N -1.97 2.39 0.65 0.00 0.04 -1.26 -1.68 135.00 133.17 3i3b s PRO 273 Ca -0.04 0.26 -0.14 0.00 0.04 0.00 0.00 61.00 61.12 3i3b s PRO 273 Cb -0.00 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 3i3b s PRO 273 CO 0.00 -1.32 1.08 -0.06 0.04 0.00 0.00 177.00 176.75 3i3b s PHE 274 N -3.46 2.80 0.00 0.56 0.08 -1.26 -4.87 117.98 111.83 3i3b s PHE 274 Ca 0.60 1.52 0.00 0.00 0.12 0.00 0.00 56.93 59.17 3i3b s PHE 274 Cb -0.11 -3.07 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 3i3b s PHE 274 CO 0.50 -1.44 0.00 0.41 -0.10 0.00 0.00 175.22 174.59 3i3b n GLY 275 N -0.91 2.21 3.92 4.36 0.00 -0.02 -4.97 105.19 109.78 3i3b n GLY 275 Ca 0.09 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 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 1.66 0.94 -0.02 0.00 0.66 -4.80 107.32 105.76 3i3b s GLY 276 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 44.72 43.79 3i3b s GLY 276 CO 0.00 -0.41 1.12 -1.83 0.00 0.00 0.00 173.10 171.97 3i3b s GLU 277 N -5.30 0.86 0.19 2.90 -1.05 -1.26 -4.42 118.70 110.63 3i3b s GLU 277 Ca 0.60 1.33 -0.31 0.00 -0.15 0.00 0.00 54.97 56.44 3i3b s GLU 277 Cb -0.11 -1.72 -0.10 0.00 -0.44 0.00 0.00 34.13 31.75 3i3b s GLU 277 CO 0.46 -2.67 1.57 0.42 0.95 0.00 0.00 175.26 175.99 3i3b s ILE 278 N -2.67 2.52 -0.27 1.83 1.01 -1.26 -4.30 121.20 118.05 3i3b s ILE 278 Ca 0.66 0.39 -0.08 0.00 0.00 0.00 0.00 60.65 61.62 3i3b s ILE 278 Cb -0.22 -3.25 -0.14 0.00 0.01 0.00 0.00 42.46 38.86 3i3b s ILE 278 CO 0.59 0.04 -0.30 -0.38 0.00 0.00 0.00 174.94 174.88 3i3b n ILE 279 N 3.56 1.52 -2.66 2.92 2.08 0.23 -4.90 119.36 122.11 3i3b n ILE 279 Ca 0.12 -0.46 0.00 0.00 0.56 0.00 0.00 62.75 62.97 3i3b n ILE 279 Cb 0.38 -1.70 0.00 0.00 -0.75 0.00 0.00 39.64 37.57 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 -3.86 0.00 0.20 4.38 5.68 -0.72 -5.01 116.55 117.22 3i3b n ASP 280 Ca -0.51 -0.26 0.15 0.00 -0.50 0.00 0.00 54.79 53.67 3i3b n ASP 280 Cb 0.93 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.68 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 -0.05 0.11 3.07 -2.05 -1.74 114.58 113.92 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 0.00 0.54 -1.40 0.00 0.00 179.01 178.15 3i3b n ARG 282 N -4.11 1.71 0.00 2.33 5.12 -1.26 -5.05 116.66 115.40 3i3b n ARG 282 Ca 0.01 -1.04 0.00 0.00 -1.93 0.00 0.00 57.85 54.89 3i3b n ARG 282 Cb 0.28 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 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 1.18 0.38 0.00 -0.13 0.00 -0.66 -5.06 105.19 100.90 3i3b n GLY 283 Ca 0.18 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 4.01 3.51 -0.02 0.00 -1.26 0.77 105.19 112.19 3i3b n GLY 284 Ca 0.00 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.10 2.91 -0.03 1.61 2.02 -1.26 -4.89 117.35 115.60 3i3b s TYR 285 Ca 0.00 -0.11 0.27 0.00 -0.37 0.00 0.00 57.07 56.86 3i3b s TYR 285 Cb 0.00 -3.82 0.89 0.00 -0.40 0.00 0.00 41.96 38.63 3i3b s TYR 285 CO 0.00 -1.17 1.81 0.00 -1.57 0.00 0.00 175.55 174.62 3i3b h ALA 286 N 9.14 0.98 -0.46 3.71 0.00 -1.94 0.19 119.26 130.88 3i3b h ALA 286 Ca -0.26 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3i3b h ALA 286 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i3b h ALA 286 CO 1.02 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 180.01 3i3b n ASP 287 N -3.20 4.32 -4.08 0.00 5.75 -1.26 -3.10 116.55 114.98 3i3b n ASP 287 Ca 0.01 -2.58 -0.09 0.00 -0.01 0.00 0.00 54.79 52.13 3i3b n ASP 287 Cb 0.43 -0.59 -0.10 0.00 -1.03 0.00 0.00 41.12 39.82 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 -2.14 0.57 -0.06 0.11 0.52 -1.13 -1.68 118.95 115.14 3i3b s ARG 288 Ca 0.41 -1.06 -0.17 0.00 -0.52 0.00 0.00 55.73 54.39 3i3b s ARG 288 Cb 0.29 0.07 0.04 0.00 0.52 0.00 0.00 34.95 35.87 3i3b s ARG 288 CO 0.15 -0.07 0.40 0.54 0.02 0.00 0.00 175.30 176.35 3i3b s VAL 289 N -3.07 0.03 -0.14 3.52 0.11 -0.49 -0.84 120.40 119.53 3i3b s VAL 289 Ca 0.01 -0.26 0.02 0.00 -2.93 0.00 0.00 61.98 58.82 3i3b s VAL 289 Cb 0.02 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 3i3b s VAL 289 CO -0.06 -0.14 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.48 3i3b s THR 290 N -0.85 2.26 -0.14 5.04 2.01 -1.26 -0.06 115.64 122.64 3i3b s THR 290 Ca -0.09 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 60.93 3i3b s THR 290 Cb -0.04 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 3i3b s THR 290 CO 0.04 0.54 0.06 -0.76 -0.69 0.00 0.00 174.62 173.82 3i3b s LEU 291 N 0.72 3.89 -0.17 4.42 2.01 0.11 -4.94 118.68 124.71 3i3b s LEU 291 Ca -0.09 0.19 0.01 0.00 0.01 0.00 0.00 54.13 54.26 3i3b s LEU 291 Cb -0.16 -1.95 0.02 0.00 0.01 0.00 0.00 46.19 44.12 3i3b s LEU 291 CO 0.01 0.29 -0.18 -0.13 1.01 0.00 0.00 176.35 177.35 3i3b s ARG 292 N -0.33 2.74 -0.11 1.70 0.52 -1.26 -0.49 118.95 121.71 3i3b s ARG 292 Ca 0.09 -0.77 0.01 0.00 -0.52 0.00 0.00 55.73 54.55 3i3b s ARG 292 Cb -0.12 -2.44 -0.01 0.00 0.52 0.00 0.00 34.95 32.90 3i3b s ARG 292 CO 0.02 -0.23 -0.16 -0.51 0.02 0.00 0.00 175.30 174.43 3i3b s LEU 293 N 1.35 2.57 -0.01 2.53 1.43 0.63 -4.95 118.68 122.23 3i3b s LEU 293 Ca 0.04 -0.36 -0.21 0.00 -1.03 0.00 0.00 54.13 52.58 3i3b s LEU 293 Cb -0.13 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 3i3b s LEU 293 CO -0.12 0.19 0.60 0.20 0.23 0.00 0.00 176.35 177.45 3i3b s ASN 294 N 0.20 6.97 -0.11 2.29 0.01 -1.26 0.26 114.94 123.29 3i3b s ASN 294 Ca -0.10 1.15 -0.01 0.00 -0.71 0.00 0.00 52.86 53.20 3i3b s ASN 294 Cb -0.16 -2.36 0.03 0.00 0.41 0.00 0.00 41.25 39.17 3i3b s ASN 294 CO 0.06 0.09 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.00 3i3b s VAL 295 N -0.13 0.82 0.01 1.60 1.01 0.37 -4.89 120.40 119.19 3i3b s VAL 295 Ca 0.31 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 3i3b s VAL 295 Cb -0.18 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.21 3i3b s VAL 295 CO 0.17 0.27 0.49 -1.61 0.00 0.00 0.00 175.10 174.43 3i3b s GLU 296 N 1.78 4.12 -1.34 2.72 0.41 -1.26 -0.76 118.70 124.38 3i3b s GLU 296 Ca 0.04 0.56 -0.09 0.00 -0.41 0.00 0.00 54.97 55.07 3i3b s GLU 296 Cb -0.13 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.95 3i3b s GLU 296 CO -0.07 0.56 0.48 0.09 -0.49 0.00 0.00 175.26 175.83 3i3b n ASN 297 N 2.15 -1.76 -4.76 -0.19 4.13 0.16 -4.89 115.26 110.11 3i3b n ASN 297 Ca -0.11 -1.08 -0.38 0.00 1.68 0.00 0.00 54.58 54.68 3i3b n ASN 297 Cb 0.52 -2.76 0.03 0.00 -1.54 0.00 0.00 39.78 36.02 3i3b n ASN 297 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3i3b s PRO 298 N -6.64 3.36 -0.30 3.52 0.04 -1.26 -4.93 135.00 128.78 3i3b s PRO 298 Ca 0.17 2.17 -0.29 0.00 0.04 0.00 0.00 61.00 63.09 3i3b s PRO 298 Cb -0.07 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 32.12 3i3b s PRO 298 CO 0.91 -0.99 1.22 0.15 0.04 0.00 0.00 177.00 178.32 3i3b s LYS 299 N -2.78 3.98 0.40 4.56 1.02 -1.26 -4.99 119.74 120.67 3i3b s LYS 299 Ca 0.68 1.20 -0.23 0.00 0.02 0.00 0.00 55.97 57.64 3i3b s LYS 299 Cb -0.38 -3.83 -0.10 0.00 -0.52 0.00 0.00 37.83 33.00 3i3b s LYS 299 CO 0.46 -1.03 1.00 -0.51 -0.92 0.00 0.00 175.35 174.36 3i3b s LEU 300 N 4.08 4.09 0.06 3.17 1.43 -1.26 -4.46 118.68 125.79 3i3b s LEU 300 Ca 0.52 1.90 -0.10 0.00 -1.03 0.00 0.00 54.13 55.43 3i3b s LEU 300 Cb -0.15 -4.29 -0.06 0.00 0.03 0.00 0.00 46.19 41.72 3i3b s LEU 300 CO 0.20 -0.43 0.38 0.86 0.23 0.00 0.00 176.35 177.60 3i3b s TRP 301 N -1.82 3.60 0.18 0.29 -0.00 0.60 -3.96 118.94 117.83 3i3b s TRP 301 Ca 0.59 0.78 -0.24 0.00 -0.00 0.00 0.00 56.10 57.23 3i3b s TRP 301 Cb -0.18 -2.15 0.06 0.00 -0.00 0.00 0.00 33.47 31.20 3i3b s TRP 301 CO 0.22 0.54 0.93 -1.54 -0.00 0.00 0.00 176.95 177.11 3i3b s SER 302 N -1.68 -0.17 0.44 5.86 1.04 -1.05 -4.64 113.70 113.50 3i3b s SER 302 Ca 0.31 -0.46 0.24 0.00 0.48 0.00 0.00 55.95 56.52 3i3b s SER 302 Cb -0.14 0.53 0.90 0.00 0.10 0.00 0.00 66.02 67.40 3i3b s SER 302 CO 0.17 -0.98 1.82 0.00 0.98 0.00 0.00 173.24 175.23 3i3b h ALA 303 N 2.00 1.01 -0.00 5.32 0.00 -1.91 -2.34 119.26 123.35 3i3b h ALA 303 Ca -0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3i3b h ALA 303 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3i3b h ALA 303 CO 0.26 0.28 -0.00 0.93 0.00 0.00 0.00 179.25 180.72 3i3b h GLU 304 N 0.00 0.00 -2.97 0.00 5.08 -1.94 -3.42 114.58 111.34 3i3b h GLU 304 Ca -0.00 -0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 3i3b h GLU 304 Cb 0.76 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.61 3i3b h GLU 304 CO 0.03 0.62 -0.78 0.42 -1.00 0.00 0.00 179.01 178.30 3i3b s ILE 305 N -3.72 0.78 -0.63 3.13 1.01 -1.18 -5.02 121.20 115.57 3i3b s ILE 305 Ca -0.17 -1.90 -0.05 0.00 0.00 0.00 0.00 60.65 58.54 3i3b s ILE 305 Cb 0.00 -1.57 -0.07 0.00 0.01 0.00 0.00 42.46 40.84 3i3b s ILE 305 CO 0.68 -0.86 2.02 -0.81 0.00 0.00 0.00 174.94 175.97 3i3b n PRO 306 N 4.11 1.68 -1.88 2.79 -0.04 -0.89 -2.54 135.00 138.24 3i3b n PRO 306 Ca 0.06 -1.16 -0.42 0.00 -0.04 0.00 0.00 63.50 61.94 3i3b n PRO 306 Cb 0.37 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.55 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 3.31 6.53 0.03 3.54 0.01 -1.25 -4.87 114.94 122.23 3i3b s ASN 307 Ca 0.35 2.67 0.04 0.00 -0.71 0.00 0.00 52.86 55.22 3i3b s ASN 307 Cb 0.11 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 39.16 3i3b s ASN 307 CO -0.02 -0.87 -0.13 -0.76 -1.51 0.00 0.00 177.10 173.81 3i3b s LEU 308 N 1.30 2.14 0.39 0.60 1.43 -1.26 -4.18 118.68 119.10 3i3b s LEU 308 Ca 0.72 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.50 3i3b s LEU 308 Cb -0.45 -0.56 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 3i3b s LEU 308 CO 0.32 0.04 0.18 -0.31 0.23 0.00 0.00 176.35 176.81 3i3b s TYR 309 N -0.72 2.63 -0.15 0.29 1.51 0.53 -4.68 117.35 116.76 3i3b s TYR 309 Ca 0.01 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 3i3b s TYR 309 Cb -0.07 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 3i3b s TYR 309 CO 0.01 0.21 -0.16 0.50 -1.11 0.00 0.00 175.55 174.99 3i3b s ARG 310 N -3.90 2.51 -0.22 -0.62 6.06 0.58 -0.07 118.95 123.29 3i3b s ARG 310 Ca 0.41 -0.65 -0.10 0.00 -2.50 0.00 0.00 55.73 52.89 3i3b s ARG 310 Cb 0.02 -2.20 -0.05 0.00 0.06 0.00 0.00 34.95 32.78 3i3b s ARG 310 CO 0.23 -0.18 0.14 0.00 -2.50 0.00 0.00 175.30 172.99 3i3b s ALA 311 N 1.28 3.65 -0.19 6.12 0.00 -0.55 -0.50 121.76 131.57 3i3b s ALA 311 Ca 0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 3i3b s ALA 311 Cb -0.14 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.75 3i3b s ALA 311 CO -0.09 0.02 -0.10 0.08 0.00 0.00 0.00 175.76 175.67 3i3b s VAL 312 N 0.65 3.02 -0.34 0.00 1.01 -0.31 -2.00 120.40 122.42 3i3b s VAL 312 Ca 0.08 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 3i3b s VAL 312 Cb -0.12 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.95 3i3b s VAL 312 CO 0.01 0.47 0.17 -0.69 0.00 0.00 0.00 175.10 175.05 3i3b s VAL 313 N 1.17 4.41 -0.13 2.92 1.01 0.58 -1.73 120.40 128.63 3i3b s VAL 313 Ca 0.02 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 3i3b s VAL 313 Cb -0.14 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3i3b s VAL 313 CO -0.03 -0.12 -0.03 -1.61 0.00 0.00 0.00 175.10 173.31 3i3b s GLU 314 N 1.54 3.42 -0.23 2.72 2.02 0.55 -1.09 118.70 127.63 3i3b s GLU 314 Ca 0.02 -0.50 -0.06 0.00 0.02 0.00 0.00 54.97 54.45 3i3b s GLU 314 Cb -0.18 -2.85 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 3i3b s GLU 314 CO 0.06 0.39 0.03 -1.17 0.02 0.00 0.00 175.26 174.59 3i3b s LEU 315 N -0.05 3.29 0.35 1.80 2.96 -0.44 -0.84 118.68 125.75 3i3b s LEU 315 Ca 0.02 -0.24 -0.10 0.00 -0.22 0.00 0.00 54.13 53.59 3i3b s LEU 315 Cb -0.13 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.72 3i3b s LEU 315 CO 0.02 -0.01 0.62 -1.38 -1.32 0.00 0.00 176.35 174.29 3i3b s HIS 316 N 1.43 0.56 0.24 5.38 -3.43 0.12 -0.48 115.29 119.12 3i3b s HIS 316 Ca 0.05 -1.00 0.03 0.00 -0.80 0.00 0.00 55.06 53.34 3i3b s HIS 316 Cb -0.15 0.36 -0.03 0.00 -1.43 0.00 0.00 32.58 31.32 3i3b s HIS 316 CO 0.02 -1.31 0.40 0.95 -2.00 0.00 0.00 174.74 172.79 3i3b s THR 317 N -2.86 5.22 0.32 -5.38 -4.23 -0.22 0.16 115.64 108.65 3i3b s THR 317 Ca 0.23 -0.71 0.04 0.00 -1.18 0.00 0.00 61.69 60.07 3i3b s THR 317 Cb -0.03 -3.82 0.30 0.00 1.34 0.00 0.00 72.50 70.29 3i3b s THR 317 CO 0.15 -0.32 1.87 0.00 -0.54 0.00 0.00 174.62 175.78 3i3b h ALA 318 N 1.36 1.65 0.00 3.99 0.00 -0.78 0.02 119.26 125.51 3i3b h ALA 318 Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3i3b h ALA 318 Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3i3b h ALA 318 CO 0.63 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 3i3b n ASP 319 N -4.57 0.00 0.00 0.00 5.68 -1.26 -4.84 116.55 111.56 3i3b n ASP 319 Ca 0.17 0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 3i3b n ASP 319 Cb 0.37 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 -0.15 0.98 3.64 6.12 0.00 -0.01 -5.08 105.19 110.70 3i3b n GLY 320 Ca 0.07 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 5.20 0.09 2.61 2.01 -1.24 -4.89 115.64 117.42 3i3b s THR 321 Ca 0.00 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.31 3i3b s THR 321 Cb 0.00 -3.70 -0.06 0.00 0.01 0.00 0.00 72.50 68.75 3i3b s THR 321 CO 0.00 0.22 1.05 -0.22 -0.69 0.00 0.00 174.62 174.98 3i3b s LEU 322 N 1.60 4.44 -0.25 4.42 2.96 -1.26 -1.06 118.68 129.53 3i3b s LEU 322 Ca 0.17 1.89 -0.12 0.00 -0.22 0.00 0.00 54.13 55.85 3i3b s LEU 322 Cb -0.15 -3.59 -0.15 0.00 0.50 0.00 0.00 46.19 42.80 3i3b s LEU 322 CO 0.08 -0.24 -0.18 -0.38 -1.32 0.00 0.00 176.35 174.31 3i3b n ILE 323 N 3.20 1.54 -3.58 6.68 5.41 0.37 -4.97 119.36 128.01 3i3b n ILE 323 Ca 0.05 -0.38 -0.05 0.00 1.00 0.00 0.00 62.75 63.36 3i3b n ILE 323 Cb 0.48 -1.80 -0.02 0.00 -0.71 0.00 0.00 39.64 37.59 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 -2.49 0.69 0.01 0.38 -1.05 -1.12 -4.87 118.70 110.25 3i3b s GLU 324 Ca -0.35 -0.30 0.00 0.00 -0.15 0.00 0.00 54.97 54.17 3i3b s GLU 324 Cb 0.12 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 34.08 3i3b s GLU 324 CO 0.55 -0.31 -0.02 0.00 0.95 0.00 0.00 175.26 176.43 3i3b s ALA 325 N -2.87 0.13 0.33 -0.84 0.00 0.41 -1.32 121.76 117.60 3i3b s ALA 325 Ca 0.08 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.76 3i3b s ALA 325 Cb -0.00 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.11 3i3b s ALA 325 CO -0.05 -0.06 0.06 -1.21 0.00 0.00 0.00 175.76 174.50 3i3b s GLU 326 N -0.74 1.66 0.06 0.00 0.41 -0.25 -1.36 118.70 118.49 3i3b s GLU 326 Ca -0.07 -1.92 -0.28 0.00 -0.41 0.00 0.00 54.97 52.29 3i3b s GLU 326 Cb -0.05 -0.87 0.09 0.00 -1.78 0.00 0.00 34.13 31.52 3i3b s GLU 326 CO -0.00 -0.19 1.09 0.00 -0.49 0.00 0.00 175.26 175.66 3i3b s ALA 327 N -3.29 -1.90 0.19 5.21 0.00 -1.26 -0.31 121.76 120.40 3i3b s ALA 327 Ca 0.37 0.46 -0.22 0.00 0.00 0.00 0.00 51.96 52.57 3i3b s ALA 327 Cb 0.09 0.49 0.06 0.00 0.00 0.00 0.00 23.12 23.75 3i3b s ALA 327 CO 0.16 -1.00 0.62 0.00 0.00 0.00 0.00 175.76 175.54 3i3b s ASP 329 N -2.80 7.23 -0.10 0.00 1.01 -1.26 -1.48 116.67 119.26 3i3b s ASP 329 Ca 0.04 1.47 0.02 0.00 0.71 0.00 0.00 52.55 54.79 3i3b s ASP 329 Cb -0.02 -2.46 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 3i3b s ASP 329 CO -0.08 0.08 -0.16 -0.69 0.21 0.00 0.00 175.17 174.54 3i3b s VAL 330 N -0.38 2.82 -0.21 -1.27 1.01 0.90 -4.65 120.40 118.62 3i3b s VAL 330 Ca 0.37 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 3i3b s VAL 330 Cb -0.21 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.04 3i3b s VAL 330 CO 0.23 0.55 -0.13 -0.83 0.00 0.00 0.00 175.10 174.92 3i3b s GLY 331 N 0.11 1.50 -0.68 4.51 0.00 -1.26 -0.35 107.32 111.16 3i3b s GLY 331 Ca -0.08 -1.28 -0.27 0.00 0.00 0.00 0.00 44.72 43.09 3i3b s GLY 331 CO 0.05 0.38 1.34 -1.36 0.00 0.00 0.00 173.10 173.51 3i3b s PHE 332 N 1.33 2.27 0.00 1.90 0.40 -1.26 -4.80 117.98 117.82 3i3b s PHE 332 Ca 0.03 0.18 -0.22 0.00 -0.60 0.00 0.00 56.93 56.32 3i3b s PHE 332 Cb -0.14 -4.53 0.05 0.00 0.51 0.00 0.00 43.02 38.91 3i3b s PHE 332 CO -0.09 -2.01 0.50 -0.98 0.70 0.00 0.00 175.22 173.34 3i3b s ARG 333 N 5.71 0.93 -0.06 0.44 3.03 -1.26 -0.29 118.95 127.44 3i3b s ARG 333 Ca 0.42 -0.09 0.05 0.00 2.03 0.00 0.00 55.73 58.14 3i3b s ARG 333 Cb -0.09 0.42 -0.02 0.00 -1.03 0.00 0.00 34.95 34.24 3i3b s ARG 333 CO 0.19 -0.30 -0.22 -2.00 -1.13 0.00 0.00 175.30 171.84 3i3b s GLU 334 N -1.77 2.58 -0.14 3.89 2.12 -1.26 -4.89 118.70 119.24 3i3b s GLU 334 Ca -0.09 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.41 3i3b s GLU 334 Cb -0.02 -2.24 0.02 0.00 0.26 0.00 0.00 34.13 32.14 3i3b s GLU 334 CO 0.03 0.44 -0.18 0.08 -0.54 0.00 0.00 175.26 175.09 3i3b s VAL 335 N -0.28 1.75 0.07 3.70 1.01 -1.26 -1.13 120.40 124.26 3i3b s VAL 335 Ca 0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 3i3b s VAL 335 Cb -0.13 -1.59 0.07 0.00 0.00 0.00 0.00 36.38 34.73 3i3b s VAL 335 CO 0.03 0.49 0.61 0.00 0.00 0.00 0.00 175.10 176.22 3i3b s ARG 336 N 1.10 1.15 -0.21 2.72 1.70 -0.76 -4.59 118.95 120.06 3i3b s ARG 336 Ca -0.02 -0.18 -0.07 0.00 -0.47 0.00 0.00 55.73 54.99 3i3b s ARG 336 Cb -0.14 0.53 -0.03 0.00 -0.57 0.00 0.00 34.95 34.74 3i3b s ARG 336 CO -0.05 -0.44 0.05 0.42 -1.08 0.00 0.00 175.30 174.19 3i3b s ILE 337 N -2.63 4.36 -0.03 4.99 1.01 -1.26 0.08 121.20 127.72 3i3b s ILE 337 Ca -0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.44 3i3b s ILE 337 Cb -0.01 -3.00 0.03 0.00 0.01 0.00 0.00 42.46 39.50 3i3b s ILE 337 CO -0.03 0.40 0.01 -0.70 0.00 0.00 0.00 174.94 174.62 3i3b s GLU 338 N 1.05 0.28 -1.56 2.79 2.12 -0.49 -4.84 118.70 118.06 3i3b s GLU 338 Ca 0.03 0.11 -0.15 0.00 0.36 0.00 0.00 54.97 55.33 3i3b s GLU 338 Cb -0.14 -0.53 0.10 0.00 0.26 0.00 0.00 34.13 33.81 3i3b s GLU 338 CO 0.03 -0.17 0.96 -1.71 -0.54 0.00 0.00 175.26 173.82 3i3b n ASN 339 N 4.36 -4.67 0.00 -1.70 5.15 -1.26 -1.86 115.26 115.29 3i3b n ASN 339 Ca -0.22 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 52.96 3i3b n ASN 339 Cb 0.50 -3.73 0.00 0.00 -0.53 0.00 0.00 39.78 36.02 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 -1.65 0.82 3.30 8.20 0.00 -1.25 -5.05 105.19 109.57 3i3b n GLY 340 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 2.17 -0.39 0.99 1.43 -0.78 -2.55 118.68 119.56 3i3b s LEU 341 Ca 0.00 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 3i3b s LEU 341 Cb 0.00 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.84 3i3b s LEU 341 CO 0.00 0.27 1.14 -0.22 0.23 0.00 0.00 176.35 177.76 3i3b s LEU 342 N -0.28 3.79 -0.02 1.79 2.96 -1.26 -1.40 118.68 124.26 3i3b s LEU 342 Ca 0.00 0.81 0.02 0.00 -0.22 0.00 0.00 54.13 54.74 3i3b s LEU 342 Cb -0.13 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 3i3b s LEU 342 CO 0.03 -1.08 -0.03 -0.76 -1.32 0.00 0.00 176.35 173.18 3i3b s LEU 343 N 4.13 3.34 -0.13 -0.68 1.43 0.11 -2.09 118.68 124.80 3i3b s LEU 343 Ca 0.48 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 3i3b s LEU 343 Cb -0.10 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.26 3i3b s LEU 343 CO 0.24 0.30 -0.16 -0.22 0.23 0.00 0.00 176.35 176.75 3i3b s LEU 344 N -1.32 1.76 -1.52 1.79 2.96 0.11 -1.82 118.68 120.65 3i3b s LEU 344 Ca 0.17 -0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 53.51 3i3b s LEU 344 Cb -0.11 -1.18 0.07 0.00 0.50 0.00 0.00 46.19 45.47 3i3b s LEU 344 CO 0.07 -0.01 0.67 0.59 -1.32 0.00 0.00 176.35 176.36 3i3b n ASN 345 N 4.42 -2.26 0.00 3.68 3.02 -0.29 -0.14 115.26 123.70 3i3b n ASN 345 Ca -0.18 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 3i3b n ASN 345 Cb 0.51 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 36.48 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 -1.70 0.69 3.46 7.41 0.00 -1.26 -5.01 105.19 108.78 3i3b n GLY 346 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.31 2.92 -0.18 1.61 -0.14 0.80 -5.01 119.74 119.42 3i3b s LYS 347 Ca 0.00 -0.66 -0.29 0.00 -1.36 0.00 0.00 55.97 53.66 3i3b s LYS 347 Cb 0.00 -2.53 -0.03 0.00 -1.68 0.00 0.00 37.83 33.59 3i3b s LYS 347 CO 0.00 0.46 1.67 -1.25 -0.76 0.00 0.00 175.35 175.47 3i3b s PRO 348 N -0.30 3.83 0.61 -1.68 0.04 -1.26 0.10 135.00 136.34 3i3b s PRO 348 Ca 0.03 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 3i3b s PRO 348 Cb -0.13 -4.05 -0.03 0.00 0.04 0.00 0.00 34.50 30.34 3i3b s PRO 348 CO 0.03 -1.25 1.11 -0.51 0.04 0.00 0.00 177.00 176.41 3i3b s LEU 349 N 5.16 3.54 -0.33 -3.56 1.43 -0.89 -4.94 118.68 119.08 3i3b s LEU 349 Ca 0.74 2.05 0.01 0.00 -1.03 0.00 0.00 54.13 55.90 3i3b s LEU 349 Cb -0.27 -4.56 0.10 0.00 0.03 0.00 0.00 46.19 41.49 3i3b s LEU 349 CO 0.30 -1.43 0.10 -0.22 0.23 0.00 0.00 176.35 175.32 3i3b s LEU 350 N -4.41 3.03 -0.37 1.79 2.96 -1.26 -4.80 118.68 115.61 3i3b s LEU 350 Ca 0.69 -1.88 -0.29 0.00 -0.22 0.00 0.00 54.13 52.43 3i3b s LEU 350 Cb -0.21 -1.11 -0.00 0.00 0.50 0.00 0.00 46.19 45.37 3i3b s LEU 350 CO 0.35 -0.39 1.54 -0.63 -1.32 0.00 0.00 176.35 175.91 3i3b s ILE 351 N 1.29 3.76 -0.96 6.68 -1.09 0.24 -4.92 121.20 126.20 3i3b s ILE 351 Ca 0.11 0.78 -0.02 0.00 -2.23 0.00 0.00 60.65 59.29 3i3b s ILE 351 Cb -0.18 -3.99 0.28 0.00 -1.58 0.00 0.00 42.46 36.98 3i3b s ILE 351 CO -0.18 -0.61 1.15 0.54 -1.23 0.00 0.00 174.94 174.62 3i3b n ARG 352 N 8.13 3.61 -4.01 2.79 1.74 -1.26 -2.44 116.66 125.23 3i3b n ARG 352 Ca 0.19 -4.56 -0.27 0.00 -0.77 0.00 0.00 57.85 52.44 3i3b n ARG 352 Cb 0.47 -2.45 -0.01 0.00 -1.02 0.00 0.00 32.46 29.46 3i3b n ARG 352 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3i3b s GLY 353 N -1.20 2.48 -0.03 -0.13 0.00 -0.81 -0.51 107.32 107.12 3i3b s GLY 353 Ca 0.32 -1.06 -0.20 0.00 0.00 0.00 0.00 44.72 43.78 3i3b s GLY 353 CO 0.01 -1.99 0.43 0.54 0.00 0.00 0.00 173.10 172.10 3i3b s VAL 354 N -2.81 0.04 0.13 1.40 0.11 -0.82 -1.83 120.40 116.63 3i3b s VAL 354 Ca 0.29 -0.31 -0.24 0.00 -2.93 0.00 0.00 61.98 58.79 3i3b s VAL 354 Cb -0.02 -0.74 -0.07 0.00 -1.53 0.00 0.00 36.38 34.02 3i3b s VAL 354 CO 0.18 -0.17 0.72 0.20 -3.33 0.00 0.00 175.10 172.70 3i3b s ASN 355 N -1.25 7.29 -0.09 3.54 0.01 -0.10 -1.69 114.94 122.65 3i3b s ASN 355 Ca -0.12 1.53 -0.03 0.00 -0.71 0.00 0.00 52.86 53.52 3i3b s ASN 355 Cb -0.03 -2.46 0.05 0.00 0.41 0.00 0.00 41.25 39.21 3i3b s ASN 355 CO 0.06 0.22 0.12 -0.60 -1.51 0.00 0.00 177.10 175.39 3i3b s ARG 356 N -1.08 0.01 0.48 -0.60 3.52 -1.00 -0.45 118.95 119.83 3i3b s ARG 356 Ca 0.34 0.38 -0.06 0.00 -0.13 0.00 0.00 55.73 56.26 3i3b s ARG 356 Cb -0.22 -0.64 -0.04 0.00 -1.56 0.00 0.00 34.95 32.49 3i3b s ARG 356 CO 0.24 -0.39 0.80 -1.01 -0.81 0.00 0.00 175.30 174.13 3i3b s HIS 357 N 2.23 3.56 -0.82 5.12 3.76 -1.26 -3.92 115.29 123.97 3i3b s HIS 357 Ca 0.04 0.88 -0.20 0.00 -0.15 0.00 0.00 55.06 55.63 3i3b s HIS 357 Cb -0.13 -2.35 0.11 0.00 1.11 0.00 0.00 32.58 31.32 3i3b s HIS 357 CO -0.06 -0.29 1.04 -1.21 -0.85 0.00 0.00 174.74 173.37 3i3b s GLU 358 N -4.67 3.40 -0.02 1.40 2.02 -1.26 -4.95 118.70 114.62 3i3b s GLU 358 Ca 0.48 -1.44 0.02 0.00 0.02 0.00 0.00 54.97 54.06 3i3b s GLU 358 Cb -0.10 -4.65 0.00 0.00 0.10 0.00 0.00 34.13 29.48 3i3b s GLU 358 CO 0.44 -1.77 -0.07 -1.58 0.02 0.00 0.00 175.26 172.30 3i3b s HIS 359 N 3.11 0.75 -0.05 1.61 2.46 -1.26 -4.45 115.29 117.47 3i3b s HIS 359 Ca 0.28 -0.18 0.01 0.00 0.47 0.00 0.00 55.06 55.64 3i3b s HIS 359 Cb -0.10 -0.56 0.02 0.00 -0.13 0.00 0.00 32.58 31.81 3i3b s HIS 359 CO -0.02 -0.09 -0.04 -1.58 -2.47 0.00 0.00 174.74 170.54 3i3b s HIS 360 N 0.24 0.76 0.59 3.88 5.04 0.41 -5.01 115.29 121.19 3i3b s HIS 360 Ca -0.03 -0.22 0.28 0.00 -1.54 0.00 0.00 55.06 53.56 3i3b s HIS 360 Cb -0.08 -0.68 1.69 0.00 0.04 0.00 0.00 32.58 33.55 3i3b s HIS 360 CO 0.00 -0.20 2.15 -1.00 -2.34 0.00 0.00 174.74 173.35 3i3b h PRO 361 N 7.23 0.00 0.00 2.88 0.13 -1.79 -1.21 132.00 139.25 3i3b h PRO 361 Ca -0.37 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.47 3i3b h PRO 361 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 3i3b h PRO 361 CO 0.46 0.00 -2.08 1.28 -0.23 0.00 0.00 178.00 177.43 3i3b n LEU 362 N -3.86 2.64 -0.69 1.56 4.77 -1.26 -1.87 117.00 118.30 3i3b n LEU 362 Ca 0.00 -0.03 0.13 0.00 -0.03 0.00 0.00 56.01 56.08 3i3b n LEU 362 Cb 0.24 -0.64 0.35 0.00 -2.33 0.00 0.00 43.42 41.04 3i3b n LEU 362 CO 0.28 0.73 0.77 1.41 -1.33 0.00 0.00 177.39 179.25 3i3b n HIS 363 N -3.23 0.08 0.00 -1.77 8.25 -1.23 -4.95 115.22 112.37 3i3b n HIS 363 Ca -0.34 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 3i3b n HIS 363 Cb 0.84 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.95 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 1.25 1.67 0.90 -1.41 0.00 -0.46 -3.18 105.19 103.96 3i3b n GLY 364 Ca 0.17 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3i3b n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i3b n GLN 365 N 0.93 2.98 -3.16 1.61 6.02 -1.26 -0.44 117.38 124.05 3i3b n GLN 365 Ca 0.00 -2.78 -0.40 0.00 -0.01 0.00 0.00 57.00 53.81 3i3b n GLN 365 Cb 0.00 -1.81 -0.07 0.00 1.02 0.00 0.00 30.24 29.39 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 -2.65 5.03 -0.03 5.09 1.01 -1.19 -4.90 120.40 122.76 3i3b s VAL 366 Ca 0.41 1.07 -0.04 0.00 0.00 0.00 0.00 61.98 63.42 3i3b s VAL 366 Cb 0.32 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3i3b s VAL 366 CO 0.10 0.09 0.19 -0.04 0.00 0.00 0.00 175.10 175.43 3i3b s MET 367 N 2.16 3.46 0.21 2.72 -1.94 -1.26 -4.76 119.30 119.89 3i3b s MET 367 Ca 0.25 -0.25 0.08 0.00 -1.71 0.00 0.00 55.69 54.07 3i3b s MET 367 Cb -0.16 -3.11 -0.05 0.00 2.01 0.00 0.00 34.83 33.53 3i3b s MET 367 CO 0.09 0.69 -0.16 0.16 -0.01 0.00 0.00 175.02 175.79 3i3b s ASP 368 N -1.74 2.73 0.23 3.03 -4.77 -1.26 -5.04 116.67 109.85 3i3b s ASP 368 Ca 0.25 -0.99 -0.08 0.00 -3.30 0.00 0.00 52.55 48.43 3i3b s ASP 368 Cb -0.13 -0.16 0.24 0.00 -1.09 0.00 0.00 42.92 41.78 3i3b s ASP 368 CO 0.16 -0.11 1.88 -0.08 0.70 0.00 0.00 175.17 177.71 3i3b h GLU 369 N 2.66 1.02 -0.29 2.11 4.81 -1.99 -2.34 114.58 120.56 3i3b h GLU 369 Ca -0.39 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 58.84 3i3b h GLU 369 Cb 1.22 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.32 3i3b h GLU 369 CO 0.59 0.67 -0.06 0.37 -0.73 0.00 0.00 179.01 179.85 3i3b h GLN 370 N 1.05 0.01 -0.40 1.92 4.15 -1.99 0.01 115.11 119.85 3i3b h GLN 370 Ca 0.33 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.65 3i3b h GLN 370 Cb -0.01 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 3i3b h GLN 370 CO -0.11 0.01 -0.14 1.15 -1.93 0.00 0.00 178.83 177.81 3i3b h THR 371 N 0.01 1.26 -0.44 2.39 2.02 -1.94 -1.32 112.91 114.89 3i3b h THR 371 Ca 0.14 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 3i3b h THR 371 Cb 0.21 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 3i3b h THR 371 CO -0.29 0.40 0.12 0.24 0.37 0.00 0.00 175.52 176.36 3i3b h MET 372 N 0.65 0.70 -0.40 6.66 2.86 -0.85 -1.56 114.93 122.99 3i3b h MET 372 Ca 0.11 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 3i3b h MET 372 Cb 0.61 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3i3b h MET 372 CO 0.04 0.69 -0.07 0.28 1.06 0.00 0.00 176.91 178.91 3i3b h VAL 373 N 0.58 1.27 -0.63 -2.22 2.07 -0.89 -1.68 116.25 114.75 3i3b h VAL 373 Ca 0.14 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.55 3i3b h VAL 373 Cb 0.30 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3i3b h VAL 373 CO -0.00 0.38 0.39 -0.61 0.02 0.00 0.00 177.57 177.75 3i3b h GLN 374 N 0.57 0.74 -0.22 1.57 4.15 -1.12 0.05 115.11 120.84 3i3b h GLN 374 Ca 0.10 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3i3b h GLN 374 Cb 0.58 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 3i3b h GLN 374 CO 0.03 0.49 0.07 -0.44 -1.93 0.00 0.00 178.83 177.05 3i3b h ASP 375 N 0.76 0.33 -0.72 -0.69 3.32 -1.15 -2.05 116.42 116.22 3i3b h ASP 375 Ca 0.26 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.12 3i3b h ASP 375 Cb 0.04 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 3i3b h ASP 375 CO -0.11 0.45 0.47 0.40 -1.72 0.00 0.00 179.24 178.73 3i3b h ILE 376 N 0.19 1.15 -0.22 0.35 2.04 -0.81 0.47 117.51 120.68 3i3b h ILE 376 Ca 0.07 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3i3b h ILE 376 Cb 0.24 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3i3b h ILE 376 CO -0.00 0.17 0.11 -0.07 0.00 0.00 0.00 178.15 178.36 3i3b h LEU 377 N 0.94 0.29 -1.32 1.44 3.38 -0.91 -1.40 115.31 117.72 3i3b h LEU 377 Ca 0.28 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3i3b h LEU 377 Cb -0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3i3b h LEU 377 CO -0.08 0.31 0.01 -0.07 0.09 0.00 0.00 178.44 178.70 3i3b h LEU 378 N 0.24 0.43 0.08 1.67 3.38 -1.06 -0.19 115.31 119.85 3i3b h LEU 378 Ca 0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i3b h LEU 378 Cb 0.10 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3i3b h LEU 378 CO -0.01 0.49 -0.04 0.24 0.09 0.00 0.00 178.44 179.21 3i3b h MET 379 N 0.45 -0.10 -0.16 1.13 2.86 -0.55 -2.35 114.93 116.20 3i3b h MET 379 Ca 0.10 0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.63 3i3b h MET 379 Cb 0.28 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 3i3b h MET 379 CO 0.01 0.25 -0.42 0.87 1.06 0.00 0.00 176.91 178.67 3i3b h LYS 380 N -0.47 0.37 0.00 1.72 1.57 -1.14 -0.91 116.57 117.71 3i3b h LYS 380 Ca -0.01 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 3i3b h LYS 380 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3i3b h LYS 380 CO 0.02 0.73 -0.13 1.96 -0.57 0.00 0.00 179.45 181.46 3i3b h GLN 381 N 0.31 0.00 -0.70 3.15 4.20 -1.04 -2.31 115.11 118.71 3i3b h GLN 381 Ca 0.03 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.38 3i3b h GLN 381 Cb 0.87 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.44 3i3b h GLN 381 CO 0.07 0.13 0.31 0.09 -0.67 0.00 0.00 178.83 178.76 3i3b n ASN 382 N -3.67 3.22 -2.58 1.46 3.02 -0.89 -4.95 115.26 110.88 3i3b n ASN 382 Ca -0.02 -3.67 -0.21 0.00 -0.03 0.00 0.00 54.58 50.65 3i3b n ASN 382 Cb 0.25 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 3i3b n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3i3b n ASN 383 N -1.09 -6.01 -4.88 6.41 3.02 -0.87 -3.90 115.26 107.94 3i3b n ASN 383 Ca 0.47 -0.10 -0.35 0.00 -0.03 0.00 0.00 54.58 54.57 3i3b n ASN 383 Cb 1.38 -4.95 -0.05 0.00 -0.61 0.00 0.00 39.78 35.54 3i3b n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3i3b s PHE 384 N -3.09 3.60 -0.01 3.10 0.40 -0.40 -4.82 117.98 116.76 3i3b s PHE 384 Ca 0.09 0.64 0.02 0.00 -0.60 0.00 0.00 56.93 57.09 3i3b s PHE 384 Cb -0.04 -2.04 0.03 0.00 0.51 0.00 0.00 43.02 41.48 3i3b s PHE 384 CO 0.11 0.62 0.83 0.27 0.70 0.00 0.00 175.22 177.75 3i3b n ASN 385 N 1.28 1.10 -3.61 1.36 0.23 0.33 -4.19 115.26 111.76 3i3b n ASN 385 Ca -0.12 -1.75 -0.15 0.00 -0.53 0.00 0.00 54.58 52.03 3i3b n ASN 385 Cb 0.53 -0.07 -0.06 0.00 -2.08 0.00 0.00 39.78 38.10 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 -0.74 -1.29 -0.01 -2.53 0.00 -1.18 -0.51 121.76 115.51 3i3b s ALA 386 Ca 0.04 0.69 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 3i3b s ALA 386 Cb 0.03 0.22 -0.00 0.00 0.00 0.00 0.00 23.12 23.37 3i3b s ALA 386 CO 0.00 -0.41 0.06 0.54 0.00 0.00 0.00 175.76 175.95 3i3b s VAL 387 N -1.90 0.04 -0.14 0.00 0.11 0.11 -1.94 120.40 116.69 3i3b s VAL 387 Ca -0.08 -0.32 -0.01 0.00 -2.93 0.00 0.00 61.98 58.63 3i3b s VAL 387 Cb -0.01 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.63 3i3b s VAL 387 CO 0.02 -0.18 -0.10 -0.60 -3.33 0.00 0.00 175.10 170.91 3i3b s ARG 388 N -0.53 3.46 -1.36 1.54 3.52 -0.68 -1.64 118.95 123.25 3i3b s ARG 388 Ca -0.06 -0.64 -0.15 0.00 -0.13 0.00 0.00 55.73 54.75 3i3b s ARG 388 Cb -0.04 -2.71 0.01 0.00 -1.56 0.00 0.00 34.95 30.65 3i3b s ARG 388 CO 0.00 0.21 2.20 0.00 -0.81 0.00 0.00 175.30 176.90 3i3b s SER 390 N 3.44 6.51 -0.40 0.00 1.04 -1.25 -0.88 113.70 122.16 3i3b s SER 390 Ca 0.49 1.49 0.09 0.00 0.48 0.00 0.00 55.95 58.49 3i3b s SER 390 Cb 0.14 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 64.00 3i3b s SER 390 CO -0.06 -1.17 0.57 1.41 0.98 0.00 0.00 173.24 174.97 3i3b n HIS 391 N 8.07 -0.10 0.00 5.02 -0.00 -1.26 -4.23 115.22 122.71 3i3b n HIS 391 Ca 0.17 -3.63 0.00 0.00 -0.00 0.00 0.00 57.72 54.26 3i3b n HIS 391 Cb 0.46 -0.37 0.00 0.00 -0.00 0.00 0.00 29.99 30.08 3i3b n HIS 391 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.34 178.82 3i3b n TYR 392 N 1.16 0.00 -1.79 4.41 0.18 -0.06 -4.23 117.16 116.83 3i3b n TYR 392 Ca 0.22 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.59 3i3b n TYR 392 Cb 0.55 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.50 3i3b n TYR 392 CO 0.00 0.00 0.00 -2.14 -2.08 0.00 0.00 176.86 172.64 3i3b s PRO 393 N -2.00 4.12 0.73 -3.48 0.02 -0.65 -4.57 135.00 129.17 3i3b s PRO 393 Ca 0.00 2.57 -0.05 0.00 0.02 0.00 0.00 61.00 63.54 3i3b s PRO 393 Cb 0.00 -3.00 0.10 0.00 0.02 0.00 0.00 34.50 31.63 3i3b s PRO 393 CO 0.00 -0.58 1.03 -0.80 -0.33 0.00 0.00 177.00 176.32 3i3b s ASN 394 N 0.17 4.42 0.29 2.53 -0.87 -1.26 -4.78 114.94 115.44 3i3b s ASN 394 Ca 0.58 0.07 -0.29 0.00 -1.57 0.00 0.00 52.86 51.65 3i3b s ASN 394 Cb -0.47 -0.55 -0.13 0.00 -0.02 0.00 0.00 41.25 40.07 3i3b s ASN 394 CO 0.55 -1.83 1.21 1.57 -2.57 0.00 0.00 177.10 176.04 3i3b n HIS 395 N -2.96 1.84 0.02 2.20 -0.00 -1.26 -4.85 115.22 110.22 3i3b n HIS 395 Ca 0.12 0.59 0.17 0.00 -0.00 0.00 0.00 57.72 58.59 3i3b n HIS 395 Cb 0.60 -2.36 0.65 0.00 -0.00 0.00 0.00 29.99 28.88 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 2.80 0.07 0.00 1.57 0.13 -1.96 -1.63 132.00 132.98 3i3b h PRO 396 Ca -0.43 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 3i3b h PRO 396 Cb 1.30 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 3i3b h PRO 396 CO 0.65 0.05 -0.21 1.25 -0.23 0.00 0.00 178.00 179.51 3i3b h LEU 397 N 0.07 0.00 -0.45 1.56 5.85 -2.01 -3.01 115.31 117.33 3i3b h LEU 397 Ca 0.22 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.01 3i3b h LEU 397 Cb 0.78 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 3i3b h LEU 397 CO -0.02 0.21 0.11 -0.25 -0.34 0.00 0.00 178.44 178.15 3i3b h TRP 398 N 0.00 0.18 -0.53 1.25 2.91 -1.64 -1.68 115.95 116.44 3i3b h TRP 398 Ca -0.00 0.03 -0.07 0.00 1.13 0.00 0.00 58.89 59.98 3i3b h TRP 398 Cb 0.46 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.07 3i3b h TRP 398 CO 0.00 0.03 0.06 1.88 -1.03 0.00 0.00 178.44 179.38 3i3b h TYR 399 N 0.25 0.90 -0.63 2.65 0.05 -1.69 -1.19 116.97 117.32 3i3b h TYR 399 Ca 0.22 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 3i3b h TYR 399 Cb 0.26 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 3i3b h TYR 399 CO -0.20 0.79 0.28 1.15 -1.05 0.00 0.00 178.16 179.14 3i3b h THR 400 N 0.81 1.22 -0.32 -2.88 2.02 -1.47 -0.39 112.91 111.90 3i3b h THR 400 Ca 0.17 -0.65 -0.11 0.00 0.77 0.00 0.00 66.41 66.58 3i3b h THR 400 Cb 0.40 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3i3b h THR 400 CO 0.01 0.26 -0.22 -0.07 0.37 0.00 0.00 175.52 175.88 3i3b h LEU 401 N 0.86 0.75 -1.30 2.58 3.38 -0.94 -1.87 115.31 118.77 3i3b h LEU 401 Ca 0.21 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3i3b h LEU 401 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3i3b h LEU 401 CO -0.02 1.02 -0.25 0.00 0.09 0.00 0.00 178.44 179.28 3i3b h ASP 403 N 0.14 0.02 0.31 0.00 3.32 -0.79 -0.57 116.42 118.84 3i3b h ASP 403 Ca 0.02 -0.18 -0.30 0.00 0.02 0.00 0.00 57.03 56.60 3i3b h ASP 403 Cb 0.53 -0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.10 3i3b h ASP 403 CO 0.04 0.19 -1.28 0.03 -1.72 0.00 0.00 179.24 176.49 3i3b h ARG 404 N -0.16 0.50 0.00 3.56 3.08 -1.09 -3.33 114.38 116.94 3i3b h ARG 404 Ca 0.00 -0.73 -0.12 0.00 0.07 0.00 0.00 59.98 59.21 3i3b h ARG 404 Cb 0.18 0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3i3b h ARG 404 CO -0.00 1.33 -0.86 1.88 -1.07 0.00 0.00 179.97 181.25 3i3b h TYR 405 N 0.19 0.00 -1.54 3.04 0.05 -0.55 -3.45 116.97 114.71 3i3b h TYR 405 Ca -0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.60 3i3b h TYR 405 Cb 1.97 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.71 3i3b h TYR 405 CO 0.10 0.47 0.00 0.41 -1.05 0.00 0.00 178.16 178.09 3i3b n GLY 406 N 1.28 -1.06 3.19 3.88 0.00 -0.26 -4.82 105.19 107.40 3i3b n GLY 406 Ca -0.02 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.16 0.48 -0.00 0.99 1.43 -0.95 -4.67 118.68 115.80 3i3b s LEU 407 Ca 0.00 0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 3i3b s LEU 407 Cb 0.00 1.09 -0.03 0.00 0.03 0.00 0.00 46.19 47.28 3i3b s LEU 407 CO 0.00 -0.14 1.01 -0.31 0.23 0.00 0.00 176.35 177.13 3i3b s TYR 408 N 0.69 3.62 -0.05 0.29 2.02 0.34 -4.73 117.35 119.53 3i3b s TYR 408 Ca -0.04 1.65 0.03 0.00 -0.37 0.00 0.00 57.07 58.34 3i3b s TYR 408 Cb -0.05 -3.16 -0.03 0.00 -0.40 0.00 0.00 41.96 38.32 3i3b s TYR 408 CO -0.05 -0.17 -0.13 0.08 -1.57 0.00 0.00 175.55 173.71 3i3b s VAL 409 N 1.09 3.14 -0.37 0.71 1.01 0.12 0.10 120.40 126.20 3i3b s VAL 409 Ca 0.52 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 3i3b s VAL 409 Cb -0.22 -2.24 0.07 0.00 0.00 0.00 0.00 36.38 33.99 3i3b s VAL 409 CO 0.27 0.58 0.16 -0.69 0.00 0.00 0.00 175.10 175.42 3i3b s VAL 410 N -0.75 3.71 -0.24 2.92 1.01 -0.65 -1.16 120.40 125.23 3i3b s VAL 410 Ca 0.12 -1.46 -0.25 0.00 0.00 0.00 0.00 61.98 60.39 3i3b s VAL 410 Cb -0.11 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 3i3b s VAL 410 CO 0.01 -0.39 0.85 -0.62 0.00 0.00 0.00 175.10 174.95 3i3b s ASP 411 N 1.71 6.85 -0.12 3.32 2.15 -0.59 -1.75 116.67 128.25 3i3b s ASP 411 Ca 0.01 1.06 0.00 0.00 0.43 0.00 0.00 52.55 54.06 3i3b s ASP 411 Cb -0.21 -2.45 -0.02 0.00 -0.30 0.00 0.00 42.92 39.94 3i3b s ASP 411 CO 0.00 -0.54 -0.14 -0.70 -0.17 0.00 0.00 175.17 173.63 3i3b s GLU 412 N 2.89 3.27 0.47 4.34 2.12 -1.26 -0.75 118.70 129.78 3i3b s GLU 412 Ca 0.36 -0.70 -0.24 0.00 0.36 0.00 0.00 54.97 54.76 3i3b s GLU 412 Cb -0.15 -2.59 -0.07 0.00 0.26 0.00 0.00 34.13 31.58 3i3b s GLU 412 CO 0.07 0.26 1.30 0.00 -0.54 0.00 0.00 175.26 176.36 3i3b s ALA 413 N 0.22 3.04 -1.31 6.30 0.00 -0.40 -1.64 121.76 127.96 3i3b s ALA 413 Ca -0.09 1.22 -0.16 0.00 0.00 0.00 0.00 51.96 52.93 3i3b s ALA 413 Cb -0.15 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 3i3b s ALA 413 CO 0.05 -1.01 2.15 -1.71 0.00 0.00 0.00 175.76 175.24 3i3b n ASN 414 N -0.45 3.62 -3.61 0.00 5.15 -1.26 -3.92 115.26 114.79 3i3b n ASN 414 Ca 0.07 -2.81 -0.26 0.00 -0.60 0.00 0.00 54.58 50.99 3i3b n ASN 414 Cb 0.45 -1.55 -0.17 0.00 -0.53 0.00 0.00 39.78 37.98 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 3.66 -0.09 -0.15 -1.44 1.01 -1.25 -4.74 121.20 118.19 3i3b s ILE 415 Ca 0.49 -0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.97 3i3b s ILE 415 Cb 0.14 -0.54 0.08 0.00 0.01 0.00 0.00 42.46 42.14 3i3b s ILE 415 CO -0.04 -0.25 0.30 -0.70 0.00 0.00 0.00 174.94 174.25 3i3b s GLU 416 N 2.14 0.19 -0.35 2.79 2.12 -0.06 -0.58 118.70 124.96 3i3b s GLU 416 Ca 0.02 0.75 0.08 0.00 0.36 0.00 0.00 54.97 56.18 3i3b s GLU 416 Cb -0.16 -0.08 0.45 0.00 0.26 0.00 0.00 34.13 34.60 3i3b s GLU 416 CO -0.09 -0.33 1.14 0.25 -0.54 0.00 0.00 175.26 175.69 3i3b n THR 417 N 5.36 2.28 -0.32 -1.70 -2.24 -1.07 -0.73 114.28 115.85 3i3b n THR 417 Ca -0.06 -4.32 0.09 0.00 -2.27 0.00 0.00 64.05 57.49 3i3b n THR 417 Cb 0.50 -0.89 0.26 0.00 -2.10 0.00 0.00 70.33 68.10 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 2.41 0.92 0.00 4.78 6.17 -1.51 -2.40 115.15 125.53 3i3b h HIS 418 Ca 0.28 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.39 3i3b h HIS 418 Cb 1.26 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.93 3i3b h HIS 418 CO 0.79 0.23 0.00 0.41 0.71 0.00 0.00 177.93 180.07 3i3b n GLY 419 N -1.33 -0.64 3.83 5.26 0.00 -1.20 -4.80 105.19 106.31 3i3b n GLY 419 Ca 0.20 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.46 3.16 -0.22 1.61 -1.94 -0.90 -4.80 119.30 113.74 3i3b s MET 420 Ca 0.13 0.92 -0.02 0.00 -1.71 0.00 0.00 55.69 55.01 3i3b s MET 420 Cb 0.08 -2.02 0.07 0.00 2.01 0.00 0.00 34.83 34.97 3i3b s MET 420 CO 0.18 -0.92 0.03 0.08 -0.01 0.00 0.00 175.02 174.39 3i3b s VAL 421 N -3.03 0.78 1.06 -6.03 1.01 -1.26 -3.20 120.40 109.73 3i3b s VAL 421 Ca 0.58 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 3i3b s VAL 421 Cb -0.13 -1.30 0.25 0.00 0.00 0.00 0.00 36.38 35.19 3i3b s VAL 421 CO 0.53 -0.28 1.29 -2.16 0.00 0.00 0.00 175.10 174.48 3i3b s PRO 422 N 1.72 -0.13 0.51 2.72 0.04 -1.26 -4.86 135.00 133.75 3i3b s PRO 422 Ca 0.00 -0.44 0.15 0.00 0.04 0.00 0.00 61.00 60.75 3i3b s PRO 422 Cb -0.17 -1.76 1.22 0.00 0.04 0.00 0.00 34.50 33.83 3i3b s PRO 422 CO -0.11 -2.92 2.13 1.98 0.04 0.00 0.00 177.00 178.12 3i3b h MET 423 N -2.01 0.07 -0.69 4.56 4.05 -1.86 -2.58 114.93 116.48 3i3b h MET 423 Ca -0.44 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 3i3b h MET 423 Cb 1.23 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 3i3b h MET 423 CO 0.31 0.05 0.00 0.27 0.23 0.00 0.00 176.91 177.77 3i3b n ASN 424 N -4.52 4.13 -0.21 1.39 6.94 -1.25 -4.00 115.26 117.73 3i3b n ASN 424 Ca -0.02 -2.57 0.06 0.00 -0.02 0.00 0.00 54.58 52.04 3i3b n ASN 424 Cb 0.11 -0.60 0.33 0.00 -2.36 0.00 0.00 39.78 37.27 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 2.82 0.78 0.11 -3.83 2.43 -1.77 -1.50 114.38 113.42 3i3b h ARG 425 Ca 0.00 -0.05 -0.36 0.00 -0.81 0.00 0.00 59.98 58.76 3i3b h ARG 425 Cb 1.44 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 3i3b h ARG 425 CO 0.30 0.51 -2.02 1.28 -1.51 0.00 0.00 179.97 178.54 3i3b n LEU 426 N -4.49 2.64 0.11 3.80 4.77 -1.26 -4.09 117.00 118.49 3i3b n LEU 426 Ca 0.12 0.19 0.11 0.00 -0.03 0.00 0.00 56.01 56.39 3i3b n LEU 426 Cb 0.24 -1.10 0.46 0.00 -2.33 0.00 0.00 43.42 40.70 3i3b n LEU 426 CO 0.33 0.84 0.83 0.35 -1.33 0.00 0.00 177.39 178.42 3i3b n THR 427 N -3.50 0.88 0.15 -5.08 -2.24 -1.12 -1.44 114.28 101.93 3i3b n THR 427 Ca -0.33 0.26 0.10 0.00 -2.27 0.00 0.00 64.05 61.80 3i3b n THR 427 Cb 1.03 -1.17 0.19 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.12 3.19 -4.48 3.42 2.03 -0.58 -1.88 116.55 116.14 3i3b n ASP 428 Ca 0.02 -1.92 -0.39 0.00 0.52 0.00 0.00 54.79 53.02 3i3b n ASP 428 Cb 0.21 -0.24 -0.11 0.00 -0.72 0.00 0.00 41.12 40.26 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 -1.25 5.70 0.62 1.67 -1.08 -0.52 -4.65 116.67 117.16 3i3b s ASP 429 Ca 0.33 -0.44 0.34 0.00 -0.52 0.00 0.00 52.55 52.26 3i3b s ASP 429 Cb 0.19 -2.04 1.95 0.00 -1.46 0.00 0.00 42.92 41.56 3i3b s ASP 429 CO 0.26 -0.18 2.23 1.55 0.52 0.00 0.00 175.17 179.54 3i3b h PRO 430 N 8.38 0.00 0.00 4.34 0.13 -1.89 -0.46 132.00 142.50 3i3b h PRO 430 Ca -0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 3i3b h PRO 430 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3i3b h PRO 430 CO 0.61 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.35 3i3b h ARG 431 N 0.00 0.00 -0.15 0.86 3.08 -1.93 -1.32 114.38 114.92 3i3b h ARG 431 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3i3b h ARG 431 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3i3b h ARG 431 CO -0.00 0.03 0.00 0.91 -1.07 0.00 0.00 179.97 179.84 3i3b n TRP 432 N -3.20 0.17 -0.15 3.04 7.02 -0.19 -4.51 117.44 119.62 3i3b n TRP 432 Ca -0.01 -0.10 -0.06 0.00 -1.02 0.00 0.00 57.50 56.31 3i3b n TRP 432 Cb 0.21 -0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.12 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 4.04 0.45 0.15 -0.99 5.85 -1.19 -2.13 115.31 121.48 3i3b h LEU 433 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3i3b h LEU 433 Cb 0.88 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 3i3b h LEU 433 CO 0.00 0.32 -0.32 -0.65 -0.34 0.00 0.00 178.44 177.45 3i3b h PRO 434 N 0.55 -0.54 -0.80 5.25 0.11 -1.79 0.28 132.00 135.06 3i3b h PRO 434 Ca 0.18 0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.39 3i3b h PRO 434 Cb 0.01 0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.19 3i3b h PRO 434 CO -0.08 -0.36 0.52 0.00 -0.21 0.00 0.00 178.00 177.87 3i3b h ALA 435 N 0.07 1.62 -0.21 -0.75 0.00 -1.73 -2.03 119.26 116.22 3i3b h ALA 435 Ca 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3i3b h ALA 435 Cb 0.58 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i3b h ALA 435 CO -0.17 0.27 -0.36 0.52 0.00 0.00 0.00 179.25 179.51 3i3b h MET 436 N 0.88 0.61 -0.50 0.00 2.86 -0.85 -3.17 114.93 114.75 3i3b h MET 436 Ca 0.34 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3i3b h MET 436 Cb 0.22 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3i3b h MET 436 CO -0.12 0.99 0.30 0.66 1.06 0.00 0.00 176.91 179.80 3i3b h SER 437 N 0.30 0.59 0.32 1.22 4.64 0.13 -1.87 113.55 118.88 3i3b h SER 437 Ca 0.01 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 3i3b h SER 437 Cb 0.95 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 3i3b h SER 437 CO 0.08 0.46 -0.39 -0.33 -0.87 0.00 0.00 176.83 175.78 3i3b h GLU 438 N 0.69 0.10 0.00 4.77 5.08 -1.39 0.30 114.58 124.13 3i3b h GLU 438 Ca 0.18 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 3i3b h GLU 438 Cb -0.02 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3i3b h GLU 438 CO -0.03 0.48 -0.53 0.00 -1.00 0.00 0.00 179.01 177.93 3i3b h ARG 439 N 0.09 0.00 0.00 2.33 3.08 -1.32 -2.57 114.38 115.98 3i3b h ARG 439 Ca 0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 3i3b h ARG 439 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3i3b h ARG 439 CO 0.05 0.53 -0.94 0.28 -1.07 0.00 0.00 179.97 178.82 3i3b h VAL 440 N 0.00 0.76 -0.90 2.04 2.07 -1.15 -3.33 116.25 115.74 3i3b h VAL 440 Ca -0.01 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.60 3i3b h VAL 440 Cb 1.10 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 3i3b h VAL 440 CO 0.07 0.26 0.50 0.71 0.02 0.00 0.00 177.57 179.13 3i3b h THR 441 N -1.00 1.26 0.00 2.57 1.35 -0.52 -2.20 112.91 114.37 3i3b h THR 441 Ca -0.23 -0.62 -0.02 0.00 -0.55 0.00 0.00 66.41 64.99 3i3b h THR 441 Cb 1.06 0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 3i3b h THR 441 CO -0.14 0.29 -0.09 0.03 -0.25 0.00 0.00 175.52 175.36 3i3b h ARG 442 N 1.25 0.00 -0.02 4.72 3.08 -1.65 -1.87 114.38 119.90 3i3b h ARG 442 Ca 0.32 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.32 3i3b h ARG 442 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3i3b h ARG 442 CO -0.05 0.09 -0.18 1.98 -1.07 0.00 0.00 179.97 180.74 3i3b h MET 443 N 0.00 0.15 -0.60 0.04 4.05 -1.55 -2.93 114.93 114.09 3i3b h MET 443 Ca -0.00 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 3i3b h MET 443 Cb 0.70 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.50 3i3b h MET 443 CO 0.01 0.84 0.33 0.28 0.23 0.00 0.00 176.91 178.60 3i3b h VAL 444 N -0.48 1.19 0.00 -5.77 2.07 -1.26 -1.68 116.25 110.32 3i3b h VAL 444 Ca -0.02 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 3i3b h VAL 444 Cb 0.88 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3i3b h VAL 444 CO 0.04 0.21 -0.18 1.56 0.02 0.00 0.00 177.57 179.21 3i3b h GLN 445 N 0.82 0.00 0.12 1.57 4.20 -1.43 -1.91 115.11 118.49 3i3b h GLN 445 Ca 0.21 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.70 3i3b h GLN 445 Cb 0.04 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.83 3i3b h GLN 445 CO -0.03 0.18 -1.05 -0.09 -0.67 0.00 0.00 178.83 177.16 3i3b h ARG 446 N 0.00 0.26 -0.07 1.46 2.43 -1.24 -3.05 114.38 114.16 3i3b h ARG 446 Ca -0.00 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3i3b h ARG 446 Cb 0.40 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3i3b h ARG 446 CO 0.02 1.21 0.00 -0.25 -1.51 0.00 0.00 179.97 179.44 3i3b n ASP 447 N -4.07 2.58 0.27 -3.80 8.00 -0.68 -4.21 116.55 114.66 3i3b n ASP 447 Ca -0.19 -1.77 0.16 0.00 0.71 0.00 0.00 54.79 53.70 3i3b n ASP 447 Cb 0.84 -0.03 0.87 0.00 -0.02 0.00 0.00 41.12 42.78 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 3.48 0.00 -0.01 -1.24 0.11 -1.57 -2.07 114.38 113.09 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 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 3i3b h ARG 448 CO 0.00 0.00 -0.20 0.09 0.10 0.00 0.00 179.97 179.96 3i3b n ASN 449 N -2.70 1.33 -4.66 0.08 3.02 -1.26 -4.87 115.26 106.20 3i3b n ASN 449 Ca -0.02 -1.16 -0.43 0.00 -0.03 0.00 0.00 54.58 52.95 3i3b n ASN 449 Cb 0.16 0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 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 -2.35 3.35 0.36 3.10 3.76 -0.78 -4.84 115.29 117.89 3i3b s HIS 450 Ca 0.27 1.38 0.24 0.00 -0.15 0.00 0.00 55.06 56.80 3i3b s HIS 450 Cb 0.20 -3.20 1.21 0.00 1.11 0.00 0.00 32.58 31.90 3i3b s HIS 450 CO 0.47 -0.43 1.98 -1.00 -0.85 0.00 0.00 174.74 174.91 3i3b h PRO 451 N 7.48 0.00 -0.29 8.40 0.13 -1.89 -2.94 132.00 142.89 3i3b h PRO 451 Ca -0.21 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 3i3b h PRO 451 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 3i3b h PRO 451 CO 0.94 0.18 0.00 0.66 -0.23 0.00 0.00 178.00 179.55 3i3b h SER 452 N 0.00 0.41 -3.04 1.44 4.64 -1.87 -3.40 113.55 111.74 3i3b h SER 452 Ca -0.00 -0.07 -0.57 0.00 -0.47 0.00 0.00 61.79 60.68 3i3b h SER 452 Cb 0.47 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.40 3i3b h SER 452 CO 0.02 0.48 0.97 -0.69 -0.87 0.00 0.00 176.83 176.74 3i3b s VAL 453 N -4.98 4.13 -0.14 0.95 1.01 -1.11 0.14 120.40 120.41 3i3b s VAL 453 Ca -0.07 1.31 0.06 0.00 0.00 0.00 0.00 61.98 63.28 3i3b s VAL 453 Cb 0.16 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 3i3b s VAL 453 CO 0.75 -0.37 0.19 2.30 0.00 0.00 0.00 175.10 177.97 3i3b n ILE 454 N 6.00 0.00 -3.80 2.22 -5.35 -0.30 -4.91 119.36 113.22 3i3b n ILE 454 Ca 0.15 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.25 3i3b n ILE 454 Cb 0.46 0.67 -0.14 0.00 -1.74 0.00 0.00 39.64 38.89 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 -2.00 -0.02 0.05 7.28 1.01 -1.19 -3.94 121.20 122.39 3i3b s ILE 455 Ca -0.00 0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.66 3i3b s ILE 455 Cb 0.04 -0.18 -0.05 0.00 0.01 0.00 0.00 42.46 42.28 3i3b s ILE 455 CO 0.25 0.03 0.31 0.26 0.00 0.00 0.00 174.94 175.79 3i3b s TRP 456 N 0.49 3.56 -0.04 3.97 0.52 -0.84 -1.55 118.94 125.06 3i3b s TRP 456 Ca -0.04 0.61 0.04 0.00 0.02 0.00 0.00 56.10 56.73 3i3b s TRP 456 Cb -0.05 -2.02 -0.00 0.00 -1.15 0.00 0.00 33.47 30.25 3i3b s TRP 456 CO -0.02 0.56 -0.17 0.45 0.02 0.00 0.00 176.95 177.80 3i3b s SER 457 N -1.86 2.10 0.00 2.95 0.15 0.07 -0.95 113.70 116.16 3i3b s SER 457 Ca 0.31 -0.34 0.10 0.00 0.70 0.00 0.00 55.95 56.72 3i3b s SER 457 Cb -0.13 -0.60 0.61 0.00 -1.71 0.00 0.00 66.02 64.19 3i3b s SER 457 CO 0.18 0.14 1.34 0.18 1.20 0.00 0.00 173.24 176.29 3i3b n LEU 458 N 3.18 0.00 0.00 3.45 4.77 -1.05 -1.28 117.00 126.07 3i3b n LEU 458 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3i3b n LEU 458 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 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 0.59 0.59 3.10 -0.72 0.00 -1.25 -4.68 105.19 102.82 3i3b n GLY 459 Ca 0.08 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.13 -0.87 1.61 2.47 0.25 -4.70 114.94 109.56 3i3b s ASN 460 Ca 0.00 0.19 -0.17 0.00 0.42 0.00 0.00 52.86 53.30 3i3b s ASN 460 Cb 0.00 0.34 0.02 0.00 -1.45 0.00 0.00 41.25 40.16 3i3b s ASN 460 CO 0.00 -0.19 0.54 -0.62 -3.72 0.00 0.00 177.10 173.11 3i3b n GLU 461 N 2.38 -0.75 -0.75 0.43 1.02 -1.26 -3.84 120.64 117.87 3i3b n GLU 461 Ca -0.16 0.24 0.05 0.00 -0.02 0.00 0.00 57.16 57.27 3i3b n GLU 461 Cb 0.57 -1.86 0.11 0.00 -0.02 0.00 0.00 31.44 30.25 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 -1.84 1.36 0.00 1.62 7.64 -1.26 -1.51 113.62 119.63 3i3b n SER 462 Ca -0.17 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 56.81 3i3b n SER 462 Cb 0.52 -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 -0.53 0.96 2.80 0.23 0.00 -1.26 -3.87 105.19 103.52 3i3b n GLY 463 Ca 0.12 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 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 1.15 0.33 1.61 2.46 -1.26 -3.63 115.29 115.96 3i3b s HIS 464 Ca 0.00 -0.74 0.06 0.00 0.47 0.00 0.00 55.06 54.85 3i3b s HIS 464 Cb 0.00 -1.06 -0.07 0.00 -0.13 0.00 0.00 32.58 31.32 3i3b s HIS 464 CO 0.00 -0.54 -0.01 0.20 -2.47 0.00 0.00 174.74 171.93 3i3b s GLY 465 N 1.81 2.12 0.51 1.59 0.00 -1.26 -4.87 107.32 107.22 3i3b s GLY 465 Ca 0.01 -2.08 0.23 0.00 0.00 0.00 0.00 44.72 42.88 3i3b s GLY 465 CO -0.07 -1.92 1.99 0.00 0.00 0.00 0.00 173.10 173.10 3i3b h ALA 466 N 2.07 2.38 -0.03 3.20 0.00 -1.82 -0.14 119.26 124.92 3i3b h ALA 466 Ca -0.41 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3i3b h ALA 466 Cb 1.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3i3b h ALA 466 CO 0.72 -0.53 -0.12 -0.91 0.00 0.00 0.00 179.25 178.41 3i3b h ASN 467 N 0.09 0.03 -0.13 0.00 2.35 -1.70 -1.89 115.58 114.33 3i3b h ASN 467 Ca 0.25 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.97 3i3b h ASN 467 Cb 0.89 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.25 3i3b h ASN 467 CO -0.02 0.16 -0.03 0.45 -1.65 0.00 0.00 177.43 176.34 3i3b h HIS 468 N 0.04 0.28 -0.61 1.19 3.86 -1.20 -1.74 115.15 116.97 3i3b h HIS 468 Ca 0.01 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 3i3b h HIS 468 Cb 0.23 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 3i3b h HIS 468 CO 0.00 0.53 0.34 -0.44 0.86 0.00 0.00 177.93 179.23 3i3b h ASP 469 N -0.05 0.74 0.14 2.45 3.32 -1.44 0.31 116.42 121.89 3i3b h ASP 469 Ca 0.03 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3i3b h ASP 469 Cb 0.44 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3i3b h ASP 469 CO 0.01 0.59 -0.07 0.00 -1.72 0.00 0.00 179.24 178.06 3i3b h ALA 470 N 1.53 -0.19 -0.04 3.45 0.00 -1.24 -2.41 119.26 120.37 3i3b h ALA 470 Ca 0.22 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3i3b h ALA 470 Cb 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i3b h ALA 470 CO -0.04 -0.46 -0.40 -0.07 0.00 0.00 0.00 179.25 178.28 3i3b h LEU 471 N -0.48 0.08 -0.09 0.00 3.38 -1.08 -1.90 115.31 115.21 3i3b h LEU 471 Ca -0.02 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3i3b h LEU 471 Cb 0.38 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3i3b h LEU 471 CO 0.03 0.48 0.03 0.22 0.09 0.00 0.00 178.44 179.29 3i3b h TYR 472 N 0.06 0.06 -0.08 1.13 3.20 -0.32 -2.41 116.97 118.61 3i3b h TYR 472 Ca 0.00 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 3i3b h TYR 472 Cb 0.74 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3i3b h TYR 472 CO 0.00 0.03 -0.37 -0.09 -1.64 0.00 0.00 178.16 176.10 3i3b h ARG 473 N 0.08 0.17 -0.49 1.82 9.65 -1.17 -2.46 114.38 121.98 3i3b h ARG 473 Ca 0.04 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3i3b h ARG 473 Cb 0.02 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 3i3b h ARG 473 CO -0.04 0.52 0.33 2.35 2.80 0.00 0.00 179.97 185.93 3i3b h TRP 474 N 0.15 0.62 -0.31 2.20 7.01 -1.02 -0.59 115.95 124.01 3i3b h TRP 474 Ca 0.02 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.98 3i3b h TRP 474 Cb 0.73 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 3i3b h TRP 474 CO 0.01 0.39 0.00 0.82 -2.79 0.00 0.00 178.44 176.87 3i3b h ILE 475 N 0.67 1.26 -0.25 2.65 2.04 -1.28 -0.40 117.51 122.20 3i3b h ILE 475 Ca 0.18 -0.95 0.04 0.00 1.00 0.00 0.00 64.86 65.13 3i3b h ILE 475 Cb -0.07 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3i3b h ILE 475 CO -0.04 0.31 0.17 0.11 0.00 0.00 0.00 178.15 178.70 3i3b h LYS 476 N 0.35 0.17 0.11 2.37 1.79 -1.17 0.32 116.57 120.51 3i3b h LYS 476 Ca 0.09 -0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.39 3i3b h LYS 476 Cb 0.44 -0.04 0.02 0.00 -1.58 0.00 0.00 32.23 31.07 3i3b h LYS 476 CO 0.02 0.11 -0.69 1.03 -1.08 0.00 0.00 179.45 178.84 3i3b h SER 477 N 0.18 0.43 1.28 0.86 0.87 -0.71 -3.30 113.55 113.15 3i3b h SER 477 Ca 0.11 -0.93 -0.11 0.00 -1.23 0.00 0.00 61.79 59.62 3i3b h SER 477 Cb 0.20 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3i3b h SER 477 CO -0.02 1.32 -0.75 -0.37 -0.53 0.00 0.00 176.83 176.48 3i3b h VAL 478 N -0.40 0.71 -2.46 2.23 -1.51 -0.77 -3.42 116.25 110.63 3i3b h VAL 478 Ca -0.12 -2.08 -0.56 0.00 -1.23 0.00 0.00 66.70 62.71 3i3b h VAL 478 Cb 1.52 2.27 -0.38 0.00 -2.13 0.00 0.00 31.29 32.58 3i3b h VAL 478 CO 0.13 0.41 -0.87 -0.62 -1.23 0.00 0.00 177.57 175.39 3i3b s ASP 479 N -6.23 2.38 0.00 4.19 2.15 0.11 -4.98 116.67 114.29 3i3b s ASP 479 Ca 0.02 -2.35 0.26 0.00 0.43 0.00 0.00 52.55 50.91 3i3b s ASP 479 Cb 0.08 -0.30 1.34 0.00 -0.30 0.00 0.00 42.92 43.74 3i3b s ASP 479 CO 0.76 -0.27 1.88 -0.81 -0.17 0.00 0.00 175.17 176.57 3i3b n PRO 480 N 3.75 0.43 0.03 4.34 -0.04 -1.24 -3.66 135.00 138.59 3i3b n PRO 480 Ca 0.17 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 3i3b n PRO 480 Cb 0.41 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.25 0.19 -3.96 3.54 3.41 -1.26 -4.78 113.62 109.51 3i3b n SER 481 Ca 0.13 0.53 -0.20 0.00 -0.26 0.00 0.00 58.87 59.07 3i3b n SER 481 Cb 0.19 -0.57 -0.16 0.00 -0.26 0.00 0.00 64.21 63.41 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 -3.04 0.92 0.73 4.33 0.52 -1.24 -4.23 118.95 116.94 3i3b s ARG 482 Ca 0.11 -0.23 -0.14 0.00 -0.52 0.00 0.00 55.73 54.95 3i3b s ARG 482 Cb 0.15 -0.87 0.04 0.00 0.52 0.00 0.00 34.95 34.79 3i3b s ARG 482 CO 0.47 0.04 1.15 -2.14 0.02 0.00 0.00 175.30 174.83 3i3b s PRO 483 N 0.46 2.30 -0.06 3.54 0.02 -1.25 -4.78 135.00 135.23 3i3b s PRO 483 Ca -0.07 1.51 0.05 0.00 0.02 0.00 0.00 61.00 62.51 3i3b s PRO 483 Cb -0.11 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 3i3b s PRO 483 CO 0.01 -1.66 -0.19 0.08 -0.33 0.00 0.00 177.00 174.91 3i3b s VAL 484 N -2.32 2.60 0.11 3.83 1.01 -1.26 -1.98 120.40 122.39 3i3b s VAL 484 Ca 0.69 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.82 3i3b s VAL 484 Cb -0.23 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3i3b s VAL 484 CO 0.46 0.57 -0.09 0.00 0.00 0.00 0.00 175.10 176.04 3i3b s GLN 485 N -0.39 0.92 -0.28 2.72 -2.07 -0.12 -0.10 119.66 120.33 3i3b s GLN 485 Ca 0.04 -1.29 -0.20 0.00 -1.82 0.00 0.00 55.36 52.09 3i3b s GLN 485 Cb -0.12 -0.50 0.11 0.00 -1.09 0.00 0.00 33.01 31.41 3i3b s GLN 485 CO 0.02 0.06 0.87 -0.47 -1.32 0.00 0.00 175.29 174.45 3i3b s TYR 486 N -2.96 -0.71 -0.12 9.60 5.04 -1.26 -2.54 117.35 124.39 3i3b s TYR 486 Ca 0.10 1.54 0.21 0.00 -2.44 0.00 0.00 57.07 56.49 3i3b s TYR 486 Cb 0.01 0.41 -0.20 0.00 0.35 0.00 0.00 41.96 42.53 3i3b s TYR 486 CO -0.01 -0.35 0.67 -1.91 -1.34 0.00 0.00 175.55 172.61 3i3b n GLU 487 N 3.27 0.64 -1.60 4.97 0.00 -1.26 -4.66 120.64 121.99 3i3b n GLU 487 Ca -0.16 -0.03 -0.39 0.00 0.00 0.00 0.00 57.16 56.57 3i3b n GLU 487 Cb 0.57 -1.65 0.04 0.00 0.00 0.00 0.00 31.44 30.40 3i3b n GLU 487 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i3b n GLY 488 N 1.29 -0.36 2.14 8.31 0.00 -1.26 -0.32 105.19 114.98 3i3b n GLY 488 Ca -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 1.28 0.60 0.00 -0.02 0.00 -1.24 -4.06 105.19 101.76 3i3b n GLY 489 Ca 0.12 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.43 1.12 4.21 -0.02 0.00 -1.20 -4.73 105.19 102.14 3i3b n GLY 490 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3i3b n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3b n ALA 491 N 0.00 0.00 -2.31 4.61 0.00 0.56 -4.67 120.51 118.70 3i3b n ALA 491 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3i3b n ALA 491 Cb 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 19.45 18.98 3i3b n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i3b n ASP 492 N 0.00 1.09 -3.53 0.00 5.68 -1.26 -2.19 116.55 116.34 3i3b n ASP 492 Ca 0.00 -2.34 -0.28 0.00 -0.50 0.00 0.00 54.79 51.67 3i3b n ASP 492 Cb 0.00 -0.34 0.23 0.00 -1.14 0.00 0.00 41.12 39.87 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 0.18 0.00 1.35 2.12 -2.24 -1.26 -4.90 114.28 109.53 3i3b n THR 493 Ca 0.08 -0.52 0.12 0.00 -2.27 0.00 0.00 64.05 61.46 3i3b n THR 493 Cb 1.05 -1.27 0.66 0.00 -2.10 0.00 0.00 70.33 68.67 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 -4.55 0.09 -0.62 4.28 -2.24 -1.26 -3.05 114.28 106.93 3i3b n THR 494 Ca 0.14 0.02 0.09 0.00 -2.27 0.00 0.00 64.05 62.03 3i3b n THR 494 Cb 0.55 -0.65 0.36 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.09 3.26 -3.30 6.98 0.00 -1.26 -4.93 120.51 120.17 3i3b n ALA 495 Ca 0.16 -1.62 -0.13 0.00 0.00 0.00 0.00 53.44 51.85 3i3b n ALA 495 Cb 0.11 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.03 -0.02 -0.98 0.00 -1.32 -1.17 -4.07 115.64 106.05 3i3b s THR 496 Ca 0.51 0.06 0.26 0.00 -1.21 0.00 0.00 61.69 61.31 3i3b s THR 496 Cb 0.34 -0.26 0.08 0.00 -1.51 0.00 0.00 72.50 71.15 3i3b s THR 496 CO 0.23 0.02 1.57 0.47 -2.21 0.00 0.00 174.62 174.70 3i3b n ASP 497 N 3.43 0.37 -4.03 8.08 8.00 0.86 -4.81 116.55 128.44 3i3b n ASP 497 Ca -0.17 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.11 3i3b n ASP 497 Cb 0.56 0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.51 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 -3.01 1.00 -0.28 0.53 1.01 -1.26 -4.49 121.20 114.70 3i3b s ILE 498 Ca 0.12 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 3i3b s ILE 498 Cb 0.18 -0.89 -0.01 0.00 0.01 0.00 0.00 42.46 41.75 3i3b s ILE 498 CO 0.65 0.31 1.39 -0.63 0.00 0.00 0.00 174.94 176.65 3i3b s ILE 499 N 0.28 4.02 -0.50 2.92 1.01 -0.45 -4.68 121.20 123.80 3i3b s ILE 499 Ca -0.06 1.15 0.08 0.00 0.00 0.00 0.00 60.65 61.82 3i3b s ILE 499 Cb -0.11 -4.04 0.32 0.00 0.01 0.00 0.00 42.46 38.64 3i3b s ILE 499 CO 0.01 -0.43 0.80 0.00 0.00 0.00 0.00 174.94 175.32 3i3b s PRO 501 N -2.71 0.75 -0.14 0.00 0.04 -1.26 -3.77 135.00 127.92 3i3b s PRO 501 Ca 0.43 0.73 0.02 0.00 0.04 0.00 0.00 61.00 62.22 3i3b s PRO 501 Cb 0.27 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 33.06 3i3b s PRO 501 CO -0.10 -2.56 -0.20 0.00 0.04 0.00 0.00 177.00 174.18 3i3b s MET 502 N -4.90 3.09 -1.80 4.56 0.23 -1.26 -2.03 119.30 117.20 3i3b s MET 502 Ca 0.65 -0.82 0.00 0.00 -1.03 0.00 0.00 55.69 54.48 3i3b s MET 502 Cb -0.19 -2.48 0.00 0.00 -1.53 0.00 0.00 34.83 30.63 3i3b s MET 502 CO 0.58 0.02 0.00 0.66 -2.03 0.00 0.00 175.02 174.25 3i3b n TYR 503 N 4.00 -0.70 -2.42 3.16 4.01 0.67 -4.96 117.16 120.92 3i3b n TYR 503 Ca -0.20 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.15 3i3b n TYR 503 Cb 0.52 -3.70 -0.04 0.00 -0.31 0.00 0.00 39.34 35.81 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 -2.92 3.34 0.58 -0.72 0.00 -1.26 -4.90 121.76 115.88 3i3b s ALA 504 Ca 0.00 0.92 -0.05 0.00 0.00 0.00 0.00 51.96 52.84 3i3b s ALA 504 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.79 3i3b s ALA 504 CO 0.00 -0.27 0.87 1.03 0.00 0.00 0.00 175.76 177.39 3i3b s ARG 505 N -1.73 2.87 0.05 0.00 0.52 -1.26 -4.76 118.95 114.64 3i3b s ARG 505 Ca 0.48 -0.13 -0.20 0.00 -0.52 0.00 0.00 55.73 55.36 3i3b s ARG 505 Cb -0.31 -2.32 -0.13 0.00 0.52 0.00 0.00 34.95 32.71 3i3b s ARG 505 CO 0.40 -0.68 1.40 0.28 0.02 0.00 0.00 175.30 176.73 3i3b h VAL 506 N -0.11 1.32 0.00 3.52 2.07 -1.94 0.76 116.25 121.87 3i3b h VAL 506 Ca -0.45 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 3i3b h VAL 506 Cb 1.26 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.74 3i3b h VAL 506 CO 0.60 0.35 -1.06 0.47 0.02 0.00 0.00 177.57 177.95 3i3b n ASP 507 N -4.58 4.47 -4.68 0.57 8.00 -1.26 -3.70 116.55 115.36 3i3b n ASP 507 Ca -0.05 -0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.02 3i3b n ASP 507 Cb 0.32 0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.71 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 -2.02 4.38 0.40 -1.24 2.12 -1.26 -4.68 118.70 116.40 3i3b s GLU 508 Ca -0.01 1.31 -0.16 0.00 0.36 0.00 0.00 54.97 56.48 3i3b s GLU 508 Cb 0.00 -3.56 -0.09 0.00 0.26 0.00 0.00 34.13 30.75 3i3b s GLU 508 CO 0.03 -0.34 0.84 -0.51 -0.54 0.00 0.00 175.26 174.74 3i3b s ASP 509 N 1.11 6.73 -0.48 -1.70 1.01 -1.26 -3.83 116.67 118.26 3i3b s ASP 509 Ca 0.46 1.41 0.04 0.00 0.71 0.00 0.00 52.55 55.17 3i3b s ASP 509 Cb -0.18 -2.43 0.16 0.00 1.01 0.00 0.00 42.92 41.49 3i3b s ASP 509 CO 0.16 -0.36 0.36 -1.10 0.21 0.00 0.00 175.17 174.44 3i3b s GLN 510 N -3.42 1.28 -0.28 8.23 -0.21 -0.25 -4.93 119.66 120.08 3i3b s GLN 510 Ca 0.56 -2.33 -0.03 0.00 0.02 0.00 0.00 55.36 53.58 3i3b s GLN 510 Cb -0.10 -1.96 -0.08 0.00 1.00 0.00 0.00 33.01 31.88 3i3b s GLN 510 CO 0.22 -1.33 1.75 -0.35 -2.12 0.00 0.00 175.29 173.46 3i3b n PRO 511 N 2.79 1.08 -1.73 2.91 -0.04 -1.26 -1.20 135.00 137.55 3i3b n PRO 511 Ca 0.24 -0.73 -0.38 0.00 -0.04 0.00 0.00 63.50 62.59 3i3b n PRO 511 Cb 0.43 -1.97 0.04 0.00 -0.04 0.00 0.00 33.50 31.97 3i3b n PRO 511 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3i3b n PHE 512 N 3.52 2.14 -2.08 0.54 3.72 -1.26 -4.87 117.46 119.17 3i3b n PHE 512 Ca 0.23 0.43 -0.40 0.00 -0.05 0.00 0.00 57.45 57.66 3i3b n PHE 512 Cb 0.24 -2.34 -0.02 0.00 -0.94 0.00 0.00 39.48 36.43 3i3b n PHE 512 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3i3b s PRO 513 N -2.89 4.27 0.00 -1.08 0.02 -1.26 -2.53 135.00 131.53 3i3b s PRO 513 Ca 0.73 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.99 3i3b s PRO 513 Cb -0.42 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.09 3i3b s PRO 513 CO 0.49 -0.27 0.00 0.00 -0.33 0.00 0.00 177.00 176.89 3i3b n ALA 514 N 0.66 0.00 -3.06 -1.55 0.00 -1.26 -4.53 120.51 110.78 3i3b n ALA 514 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3i3b n ALA 514 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 3i3b n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i3b n VAL 515 N 0.00 2.00 -1.95 0.00 0.24 -1.24 -4.86 118.33 112.51 3i3b n VAL 515 Ca 0.00 -5.23 -0.37 0.00 -2.04 0.00 0.00 64.34 56.71 3i3b n VAL 515 Cb 0.00 -1.16 0.04 0.00 -1.47 0.00 0.00 33.84 31.25 3i3b n VAL 515 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3i3b s PRO 516 N -3.03 2.97 -0.52 7.34 0.04 -1.05 -4.63 135.00 136.12 3i3b s PRO 516 Ca 0.45 1.92 -0.04 0.00 0.04 0.00 0.00 61.00 63.38 3i3b s PRO 516 Cb 0.29 -1.99 0.14 0.00 0.04 0.00 0.00 34.50 32.97 3i3b s PRO 516 CO -0.11 -1.23 0.33 0.15 0.04 0.00 0.00 177.00 176.18 3i3b s LYS 517 N -3.24 2.33 0.72 4.56 1.02 -0.34 -4.89 119.74 119.90 3i3b s LYS 517 Ca 0.77 -2.15 -0.11 0.00 0.02 0.00 0.00 55.97 54.50 3i3b s LYS 517 Cb -0.33 -3.70 0.02 0.00 -0.52 0.00 0.00 37.83 33.30 3i3b s LYS 517 CO 0.36 -1.13 1.07 -1.58 -0.92 0.00 0.00 175.35 173.15 3i3b s TRP 518 N 0.61 3.07 0.39 3.18 0.52 -1.26 -1.09 118.94 124.35 3i3b s TRP 518 Ca 0.12 1.32 -0.27 0.00 0.02 0.00 0.00 56.10 57.29 3i3b s TRP 518 Cb -0.22 -2.95 -0.09 0.00 -1.15 0.00 0.00 33.47 29.06 3i3b s TRP 518 CO -0.04 -1.36 1.34 -1.54 0.02 0.00 0.00 176.95 175.38 3i3b s SER 519 N -3.87 6.39 0.50 2.95 1.04 -1.25 -4.25 113.70 115.21 3i3b s SER 519 Ca 0.59 2.74 0.18 0.00 0.48 0.00 0.00 55.95 59.94 3i3b s SER 519 Cb -0.14 -2.65 1.24 0.00 0.10 0.00 0.00 66.02 64.57 3i3b s SER 519 CO 0.55 -0.81 2.07 0.16 0.98 0.00 0.00 173.24 176.19 3i3b h ILE 520 N 2.66 0.92 -0.42 -1.02 3.07 -0.96 0.07 117.51 121.82 3i3b h ILE 520 Ca -0.50 -0.04 -0.14 0.00 1.55 0.00 0.00 64.86 65.73 3i3b h ILE 520 Cb 1.24 0.81 -0.01 0.00 -0.27 0.00 0.00 36.82 38.59 3i3b h ILE 520 CO 0.63 0.02 -0.30 0.11 -1.05 0.00 0.00 178.15 177.56 3i3b h LYS 521 N 0.10 0.93 -0.06 0.16 1.57 -1.83 -3.12 116.57 114.34 3i3b h LYS 521 Ca 0.12 -0.44 -0.21 0.00 -1.87 0.00 0.00 60.65 58.25 3i3b h LYS 521 Cb 0.36 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3i3b h LYS 521 CO -0.01 1.10 -0.84 -0.22 -0.57 0.00 0.00 179.45 178.91 3i3b h LYS 522 N 0.79 0.51 -0.62 3.15 3.64 -1.63 -3.30 116.57 119.10 3i3b h LYS 522 Ca 0.08 -0.47 0.10 0.00 -1.27 0.00 0.00 60.65 59.10 3i3b h LYS 522 Cb 0.88 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.74 3i3b h LYS 522 CO 0.08 1.10 0.23 2.35 -2.27 0.00 0.00 179.45 180.94 3i3b h TRP 523 N 0.32 0.39 -0.93 1.91 2.91 -0.96 -2.48 115.95 117.12 3i3b h TRP 523 Ca -0.06 0.03 0.11 0.00 1.13 0.00 0.00 58.89 60.10 3i3b h TRP 523 Cb 1.45 -0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 29.95 3i3b h TRP 523 CO 0.06 0.09 0.59 -0.07 -1.03 0.00 0.00 178.44 178.08 3i3b h LEU 524 N 0.40 0.82 -1.76 0.65 3.38 -1.62 -2.95 115.31 114.23 3i3b h LEU 524 Ca 0.32 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3i3b h LEU 524 Cb 0.40 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3i3b h LEU 524 CO -0.32 0.47 0.00 -1.54 0.09 0.00 0.00 178.44 177.14 3i3b n SER 525 N -4.55 2.64 -4.60 -0.43 3.41 -0.94 -4.55 113.62 104.59 3i3b n SER 525 Ca 0.16 -1.88 -0.40 0.00 -0.26 0.00 0.00 58.87 56.50 3i3b n SER 525 Cb 0.34 -0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.12 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 0.96 2.79 -4.63 1.04 4.77 -1.12 -4.76 117.00 116.05 3i3b n LEU 526 Ca 0.18 0.95 -0.57 0.00 -0.03 0.00 0.00 56.01 56.54 3i3b n LEU 526 Cb 0.48 -1.35 -0.07 0.00 -2.33 0.00 0.00 43.42 40.14 3i3b n LEU 526 CO 0.14 -1.68 1.01 -2.65 -1.33 0.00 0.00 177.39 172.88 3i3b n PRO 527 N -0.17 0.84 -0.05 3.23 -0.02 -1.26 -0.84 135.00 136.73 3i3b n PRO 527 Ca 0.11 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3i3b n PRO 527 Cb 0.42 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 3.05 2.89 3.74 -1.23 0.00 -1.26 -5.01 105.19 107.37 3i3b n GLY 528 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.00 4.72 0.00 1.61 2.56 -0.02 -4.91 118.70 122.66 3i3b s GLU 529 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 54.97 56.54 3i3b s GLU 529 Cb 0.00 -3.30 0.00 0.00 2.00 0.00 0.00 34.13 32.83 3i3b s GLU 529 CO 0.00 0.27 0.00 0.25 -0.56 0.00 0.00 175.26 175.22 3i3b n THR 530 N 2.08 0.00 -1.89 -1.70 -2.24 -1.26 -4.80 114.28 104.47 3i3b n THR 530 Ca 0.01 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 3i3b n THR 530 Cb 0.47 0.88 0.03 0.00 -2.10 0.00 0.00 70.33 69.61 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 0.00 3.08 0.81 -0.78 0.52 -1.26 -3.97 118.95 117.35 3i3b s ARG 531 Ca 0.00 1.25 -0.11 0.00 -0.52 0.00 0.00 55.73 56.35 3i3b s ARG 531 Cb 0.00 -2.00 0.08 0.00 0.52 0.00 0.00 34.95 33.55 3i3b s ARG 531 CO 0.00 -1.01 1.09 -1.25 0.02 0.00 0.00 175.30 174.15 3i3b s PRO 532 N -4.17 1.99 -0.12 3.54 0.04 -1.06 -4.76 135.00 130.46 3i3b s PRO 532 Ca 0.64 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.54 3i3b s PRO 532 Cb -0.17 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.50 3i3b s PRO 532 CO 0.40 -1.74 -0.11 -1.17 0.04 0.00 0.00 177.00 174.43 3i3b s LEU 533 N -5.91 1.44 -0.14 -3.56 0.20 0.30 -1.35 118.68 109.66 3i3b s LEU 533 Ca 0.61 -0.38 -0.02 0.00 0.69 0.00 0.00 54.13 55.03 3i3b s LEU 533 Cb -0.16 -0.99 0.05 0.00 -0.43 0.00 0.00 46.19 44.66 3i3b s LEU 533 CO 0.56 -0.08 0.03 -0.63 -0.29 0.00 0.00 176.35 175.94 3i3b s ILE 534 N 1.51 0.40 0.06 6.68 1.01 -0.37 -1.22 121.20 129.26 3i3b s ILE 534 Ca 0.03 -0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.14 3i3b s ILE 534 Cb -0.13 -0.77 -0.08 0.00 0.01 0.00 0.00 42.46 41.48 3i3b s ILE 534 CO -0.08 -0.02 1.68 -0.76 0.00 0.00 0.00 174.94 175.76 3i3b s LEU 535 N 1.94 4.37 0.50 2.97 1.43 -0.98 -4.09 118.68 124.81 3i3b s LEU 535 Ca 0.02 2.48 0.30 0.00 -1.03 0.00 0.00 54.13 55.91 3i3b s LEU 535 Cb -0.15 -3.56 1.07 0.00 0.03 0.00 0.00 46.19 43.58 3i3b s LEU 535 CO -0.07 -0.91 1.87 0.00 0.23 0.00 0.00 176.35 177.47 3i3b s GLU 537 N -3.52 0.53 0.12 0.00 2.02 -1.23 -4.30 118.70 112.33 3i3b s GLU 537 Ca 0.03 0.83 -0.26 0.00 0.02 0.00 0.00 54.97 55.60 3i3b s GLU 537 Cb 0.08 0.14 0.07 0.00 0.10 0.00 0.00 34.13 34.52 3i3b s GLU 537 CO 0.57 -0.12 0.94 1.52 0.02 0.00 0.00 175.26 178.18 3i3b s TYR 538 N 0.96 -0.18 -0.96 1.61 1.13 -0.93 -0.23 117.35 118.74 3i3b s TYR 538 Ca -0.06 -0.09 -0.10 0.00 -1.41 0.00 0.00 57.07 55.42 3i3b s TYR 538 Cb -0.06 0.62 -0.01 0.00 -1.10 0.00 0.00 41.96 41.41 3i3b s TYR 538 CO -0.08 -0.78 0.75 0.00 -2.51 0.00 0.00 175.55 172.93 3i3b n ALA 539 N -0.42 -2.58 -1.57 9.51 0.00 -1.26 -1.35 120.51 122.84 3i3b n ALA 539 Ca -0.07 -0.13 -0.44 0.00 0.00 0.00 0.00 53.44 52.80 3i3b n ALA 539 Cb 0.61 -3.04 -0.04 0.00 0.00 0.00 0.00 19.45 16.98 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 -3.12 1.91 -0.74 0.00 -0.00 -0.50 -3.94 115.22 108.83 3i3b n HIS 540 Ca -0.10 -0.06 -0.12 0.00 0.46 0.00 0.00 57.72 57.89 3i3b n HIS 540 Cb 0.59 -2.70 0.03 0.00 -0.12 0.00 0.00 29.99 27.79 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 11.29 4.76 -2.38 1.57 0.00 0.08 -4.25 120.51 131.58 3i3b n ALA 541 Ca 0.32 -1.21 -0.43 0.00 0.00 0.00 0.00 53.44 52.12 3i3b n ALA 541 Cb 0.41 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 3i3b n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3b s ALA 542 N -1.33 3.20 0.00 0.00 0.00 -1.26 -3.94 121.76 118.43 3i3b s ALA 542 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3i3b s ALA 542 Cb 0.18 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3i3b s ALA 542 CO -0.00 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 174.07 3i3b n GLY 543 N 4.72 2.45 3.57 0.00 0.00 -1.26 -4.00 105.19 110.67 3i3b n GLY 543 Ca 0.16 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 5.52 0.00 1.61 3.84 -1.26 -4.83 114.94 115.82 3i3b s ASN 544 Ca 0.00 -1.50 0.00 0.00 0.21 0.00 0.00 52.86 51.57 3i3b s ASN 544 Cb 0.00 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 3i3b s ASN 544 CO 0.00 -2.50 0.00 -0.24 -2.79 0.00 0.00 177.10 171.57 3i3b n SER 545 N 12.67 0.51 -0.51 -4.21 2.88 -1.26 -4.80 113.62 118.91 3i3b n SER 545 Ca 0.43 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.92 3i3b n SER 545 Cb 0.47 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.92 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 -0.84 -4.71 2.46 7.94 -1.22 -4.79 117.00 115.85 3i3b n LEU 546 Ca 0.00 0.06 -0.42 0.00 -1.11 0.00 0.00 56.01 54.54 3i3b n LEU 546 Cb 0.00 -1.11 -0.03 0.00 0.53 0.00 0.00 43.42 42.81 3i3b n LEU 546 CO 0.00 -0.16 0.80 -0.83 -1.11 0.00 0.00 177.39 176.08 3i3b s GLY 547 N -2.85 2.59 0.00 -3.96 0.00 0.07 -2.74 107.32 100.43 3i3b s GLY 547 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3i3b s GLY 547 CO 0.00 1.90 0.00 0.61 0.00 0.00 0.00 173.10 175.61 3i3b n GLY 548 N 3.09 0.66 0.23 0.20 0.00 0.13 -4.03 105.19 105.46 3i3b n GLY 548 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 0.10 -0.45 1.61 3.57 -1.71 -0.46 116.94 119.60 3i3b h PHE 549 Ca 0.00 0.04 0.13 0.00 3.53 0.00 0.00 57.97 61.67 3i3b h PHE 549 Cb 0.00 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3i3b h PHE 549 CO 0.00 -0.09 0.32 0.00 -2.23 0.00 0.00 178.31 176.31 3i3b h ALA 550 N 1.52 2.42 -0.64 2.41 0.00 -1.87 -1.11 119.26 121.98 3i3b h ALA 550 Ca 0.32 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3i3b h ALA 550 Cb 0.50 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3i3b h ALA 550 CO -0.46 -0.56 0.16 -0.22 0.00 0.00 0.00 179.25 178.18 3i3b h LYS 551 N 0.00 1.00 -0.28 0.00 3.64 -1.48 -1.88 116.57 117.58 3i3b h LYS 551 Ca 0.21 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3i3b h LYS 551 Cb 0.86 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 3i3b h LYS 551 CO -0.00 0.88 0.11 1.88 -2.27 0.00 0.00 179.45 180.05 3i3b h TYR 552 N 0.96 0.43 -0.11 1.91 0.05 -1.24 -2.66 116.97 116.30 3i3b h TYR 552 Ca 0.20 -0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.87 3i3b h TYR 552 Cb 0.33 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 3i3b h TYR 552 CO 0.02 0.43 -0.31 -1.49 -1.05 0.00 0.00 178.16 175.76 3i3b h TRP 553 N 0.30 0.24 -0.56 4.88 4.06 -1.46 0.20 115.95 123.61 3i3b h TRP 553 Ca 0.09 -0.05 -0.06 0.00 2.06 0.00 0.00 58.89 60.93 3i3b h TRP 553 Cb 0.18 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.26 3i3b h TRP 553 CO -0.01 0.51 0.11 0.37 -3.56 0.00 0.00 178.44 175.86 3i3b h GLN 554 N 0.19 0.92 -0.23 0.49 -0.00 -1.27 -1.52 115.11 113.68 3i3b h GLN 554 Ca 0.03 -0.24 -0.04 0.00 -0.00 0.00 0.00 58.65 58.40 3i3b h GLN 554 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 28.01 3i3b h GLN 554 CO 0.05 0.87 -0.00 0.00 0.00 0.00 0.00 178.83 179.75 3i3b h ALA 555 N 1.01 0.32 -0.97 3.38 0.00 -1.04 -1.90 119.26 120.06 3i3b h ALA 555 Ca 0.17 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.96 3i3b h ALA 555 Cb 0.39 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 3i3b h ALA 555 CO 0.01 0.04 0.61 0.74 0.00 0.00 0.00 179.25 180.65 3i3b h PHE 556 N 0.18 1.11 0.00 0.00 0.04 -0.49 -0.67 116.94 117.11 3i3b h PHE 556 Ca 0.07 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.74 3i3b h PHE 556 Cb 0.41 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 3i3b h PHE 556 CO 0.04 0.49 -0.61 0.00 -0.60 0.00 0.00 178.31 177.62 3i3b h ARG 557 N 1.02 0.00 0.13 1.51 3.08 -1.10 -3.32 114.38 115.70 3i3b h ARG 557 Ca 0.45 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 60.18 3i3b h ARG 557 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3i3b h ARG 557 CO -0.23 0.61 -1.64 0.37 -1.07 0.00 0.00 179.97 178.01 3i3b h GLN 558 N 0.00 0.28 -4.87 0.04 4.15 -0.71 -3.44 115.11 110.56 3i3b h GLN 558 Ca -0.01 -0.49 -0.68 0.00 0.77 0.00 0.00 58.65 58.25 3i3b h GLN 558 Cb 1.20 0.18 -0.18 0.00 0.21 0.00 0.00 27.48 28.89 3i3b h GLN 558 CO 0.08 1.15 -0.28 0.71 -1.93 0.00 0.00 178.83 178.56 3i3b s TYR 559 N -2.60 3.20 0.25 3.99 1.51 -0.32 -4.98 117.35 118.40 3i3b s TYR 559 Ca -0.12 -0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 3i3b s TYR 559 Cb 0.06 -2.73 0.48 0.00 -0.11 0.00 0.00 41.96 39.66 3i3b s TYR 559 CO 0.85 -0.54 1.76 -1.35 -1.11 0.00 0.00 175.55 175.16 3i3b h PRO 560 N 8.57 0.58 0.00 -1.71 0.11 -1.86 -1.44 132.00 136.25 3i3b h PRO 560 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3i3b h PRO 560 Cb 1.13 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3i3b h PRO 560 CO 0.73 0.38 0.00 0.54 -0.21 0.00 0.00 178.00 179.44 3i3b n ARG 561 N -4.89 0.62 -3.03 1.05 1.74 -1.26 -4.39 116.66 106.49 3i3b n ARG 561 Ca 0.15 0.01 -0.44 0.00 -0.77 0.00 0.00 57.85 56.80 3i3b n ARG 561 Cb 0.39 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.29 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 -2.35 5.02 -0.46 0.55 1.43 -0.54 -0.54 118.68 121.78 3i3b s LEU 562 Ca 0.34 -1.22 0.04 0.00 -1.03 0.00 0.00 54.13 52.26 3i3b s LEU 562 Cb 0.20 -2.37 0.58 0.00 0.03 0.00 0.00 46.19 44.63 3i3b s LEU 562 CO 0.41 -1.19 1.82 0.00 0.23 0.00 0.00 176.35 177.62 3i3b n GLN 563 N 6.75 2.34 0.00 1.70 6.02 -0.36 -4.63 117.38 129.20 3i3b n GLN 563 Ca -0.07 -3.17 0.00 0.00 -0.01 0.00 0.00 57.00 53.75 3i3b n GLN 563 Cb 0.44 -2.14 0.00 0.00 1.02 0.00 0.00 30.24 29.56 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 -1.07 0.09 0.00 1.08 0.00 -1.26 -0.59 105.19 103.44 3i3b n GLY 564 Ca 0.55 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.63 3.08 -0.02 0.00 -1.02 -2.33 105.19 103.27 3i3b n GLY 565 Ca 0.00 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.31 3.18 0.49 1.61 0.40 0.49 -1.92 117.98 119.92 3i3b s PHE 566 Ca 0.00 -2.18 -0.23 0.00 -0.60 0.00 0.00 56.93 53.92 3i3b s PHE 566 Cb 0.00 -1.94 -0.07 0.00 0.51 0.00 0.00 43.02 41.52 3i3b s PHE 566 CO 0.00 -0.86 1.32 0.28 0.70 0.00 0.00 175.22 176.66 3i3b n VAL 567 N 4.47 3.21 -3.90 -0.44 0.31 -0.76 -2.19 118.33 119.03 3i3b n VAL 567 Ca -0.15 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.33 3i3b n VAL 567 Cb 0.44 -1.64 -0.13 0.00 -0.91 0.00 0.00 33.84 31.59 3i3b n VAL 567 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3i3b s TRP 568 N -1.26 3.33 0.00 3.52 -0.11 -0.45 -0.92 118.94 123.04 3i3b s TRP 568 Ca 0.66 -2.00 0.00 0.00 1.22 0.00 0.00 56.10 55.98 3i3b s TRP 568 Cb -0.45 -2.28 0.00 0.00 -1.50 0.00 0.00 33.47 29.24 3i3b s TRP 568 CO 0.54 -0.83 0.00 -0.40 -4.62 0.00 0.00 176.95 171.63 3i3b n ASP 569 N 4.60 0.00 0.18 5.86 5.75 -0.51 -0.74 116.55 131.69 3i3b n ASP 569 Ca -0.11 -0.48 -0.10 0.00 -0.01 0.00 0.00 54.79 54.09 3i3b n ASP 569 Cb 0.43 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 0.48 -0.49 -4.00 2.11 2.91 -1.00 -2.02 115.95 113.94 3i3b h TRP 570 Ca 0.00 -0.01 -0.41 0.00 1.13 0.00 0.00 58.89 59.59 3i3b h TRP 570 Cb 0.00 0.16 -0.29 0.00 -0.51 0.00 0.00 29.16 28.52 3i3b h TRP 570 CO 0.00 -0.22 -0.79 0.54 -1.03 0.00 0.00 178.44 176.94 3i3b s VAL 571 N -3.66 0.78 0.42 2.65 0.11 -1.26 -1.08 120.40 118.36 3i3b s VAL 571 Ca -0.10 -0.41 -0.24 0.00 -2.93 0.00 0.00 61.98 58.30 3i3b s VAL 571 Cb 0.01 -0.66 -0.10 0.00 -1.53 0.00 0.00 36.38 34.09 3i3b s VAL 571 CO 0.34 0.23 1.08 0.47 -3.33 0.00 0.00 175.10 173.89 3i3b n ASP 572 N 2.95 1.61 -2.93 3.54 8.00 -0.90 -4.35 116.55 124.47 3i3b n ASP 572 Ca -0.15 1.05 -0.38 0.00 0.71 0.00 0.00 54.79 56.02 3i3b n ASP 572 Cb 0.56 -1.39 0.03 0.00 -0.02 0.00 0.00 41.12 40.29 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 0.07 2.93 -3.31 -1.24 6.02 -0.28 -4.24 117.38 117.33 3i3b n GLN 573 Ca 0.09 -3.46 -0.31 0.00 -0.01 0.00 0.00 57.00 53.30 3i3b n GLN 573 Cb 0.39 -2.27 -0.05 0.00 1.02 0.00 0.00 30.24 29.33 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 -0.90 6.62 0.13 1.08 1.04 -1.26 -4.78 113.70 115.63 3i3b s SER 574 Ca 0.52 0.97 0.09 0.00 0.48 0.00 0.00 55.95 58.01 3i3b s SER 574 Cb 0.41 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 3i3b s SER 574 CO -0.37 -0.14 -0.18 -0.76 0.98 0.00 0.00 173.24 172.78 3i3b s LEU 575 N -3.02 2.71 -0.02 2.42 1.43 -0.21 -4.32 118.68 117.67 3i3b s LEU 575 Ca 0.48 -0.60 -0.25 0.00 -1.03 0.00 0.00 54.13 52.74 3i3b s LEU 575 Cb -0.11 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 3i3b s LEU 575 CO 0.22 0.16 0.77 -0.63 0.23 0.00 0.00 176.35 177.10 3i3b s ILE 576 N -1.28 4.91 0.25 -0.59 -1.09 -0.78 0.28 121.20 122.90 3i3b s ILE 576 Ca 0.19 1.61 0.04 0.00 -2.23 0.00 0.00 60.65 60.26 3i3b s ILE 576 Cb -0.10 -4.11 -0.05 0.00 -1.58 0.00 0.00 42.46 36.61 3i3b s ILE 576 CO 0.11 0.28 -0.01 -0.54 -1.23 0.00 0.00 174.94 173.55 3i3b s LYS 577 N 0.53 1.42 0.01 2.79 1.02 -0.51 -4.94 119.74 120.07 3i3b s LYS 577 Ca 0.40 -1.73 0.07 0.00 0.02 0.00 0.00 55.97 54.73 3i3b s LYS 577 Cb -0.19 -0.75 -0.02 0.00 -0.52 0.00 0.00 37.83 36.34 3i3b s LYS 577 CO 0.21 -0.08 -0.20 0.71 -0.92 0.00 0.00 175.35 175.07 3i3b s TYR 578 N -3.32 1.80 0.41 3.18 2.02 -1.26 -0.55 117.35 119.61 3i3b s TYR 578 Ca 0.30 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 56.63 3i3b s TYR 578 Cb 0.06 -1.12 0.08 0.00 -0.40 0.00 0.00 41.96 40.58 3i3b s TYR 578 CO 0.10 0.02 0.55 -0.40 -1.57 0.00 0.00 175.55 174.26 3i3b n ASP 579 N 2.26 0.57 -0.28 2.29 5.68 -0.61 -4.86 116.55 121.61 3i3b n ASP 579 Ca -0.16 -1.53 0.07 0.00 -0.50 0.00 0.00 54.79 52.68 3i3b n ASP 579 Cb 0.53 -0.37 0.22 0.00 -1.14 0.00 0.00 41.12 40.36 3i3b n ASP 579 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i3b h GLU 580 N 0.00 0.51 0.00 0.11 5.08 -2.01 0.45 114.58 118.72 3i3b h GLU 580 Ca -0.18 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3i3b h GLU 580 Cb 0.63 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3i3b h GLU 580 CO 0.18 0.34 0.00 0.09 -1.00 0.00 0.00 179.01 178.62 3i3b n ASN 581 N -4.94 0.00 0.00 1.42 3.02 -1.26 -4.86 115.26 108.64 3i3b n ASN 581 Ca 0.17 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 3i3b n ASN 581 Cb 0.46 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 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 0.49 0.50 3.82 7.41 0.00 0.16 -5.04 105.19 112.53 3i3b n GLY 582 Ca 0.10 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.48 7.00 0.34 1.61 0.01 -1.26 -4.73 114.94 115.43 3i3b s ASN 583 Ca 0.00 1.22 -0.26 0.00 -0.71 0.00 0.00 52.86 53.11 3i3b s ASN 583 Cb 0.00 -2.34 -0.09 0.00 0.41 0.00 0.00 41.25 39.23 3i3b s ASN 583 CO 0.00 0.22 1.05 -2.16 -1.51 0.00 0.00 177.10 174.70 3i3b s PRO 584 N -1.37 4.41 0.03 -0.60 0.04 -1.26 -1.58 135.00 134.67 3i3b s PRO 584 Ca 0.32 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 3i3b s PRO 584 Cb -0.18 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.50 3i3b s PRO 584 CO 0.19 0.06 -0.01 1.67 0.04 0.00 0.00 177.00 178.95 3i3b s TRP 585 N -1.46 0.35 -0.29 0.56 1.48 0.28 -4.96 118.94 114.90 3i3b s TRP 585 Ca 0.52 -0.73 -0.23 0.00 -1.06 0.00 0.00 56.10 54.59 3i3b s TRP 585 Cb -0.25 -0.26 -0.00 0.00 -1.16 0.00 0.00 33.47 31.80 3i3b s TRP 585 CO 0.32 -0.29 0.77 -1.12 -4.06 0.00 0.00 176.95 172.57 3i3b s SER 586 N -2.13 6.68 0.24 -2.66 0.01 -1.26 -1.42 113.70 113.16 3i3b s SER 586 Ca -0.05 0.73 0.07 0.00 1.31 0.00 0.00 55.95 58.01 3i3b s SER 586 Cb -0.02 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 3i3b s SER 586 CO -0.05 -0.56 0.16 0.00 0.41 0.00 0.00 173.24 173.19 3i3b s ALA 587 N 2.87 3.52 0.00 1.44 0.00 0.14 -4.90 121.76 124.83 3i3b s ALA 587 Ca 0.32 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.86 3i3b s ALA 587 Cb -0.15 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.74 3i3b s ALA 587 CO 0.11 0.29 0.00 2.48 0.00 0.00 0.00 175.76 178.64 3i3b n TYR 588 N -1.00 0.00 -1.51 0.00 0.18 -1.26 -1.04 117.16 112.53 3i3b n TYR 588 Ca -0.08 0.00 -0.53 0.00 1.88 0.00 0.00 57.90 59.17 3i3b n TYR 588 Cb 0.57 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.48 3i3b n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3i3b n GLY 589 N 0.37 -0.43 1.83 -7.48 0.00 -0.05 -1.60 105.19 97.83 3i3b n GLY 589 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 1.84 1.88 0.00 -0.02 0.00 -1.26 -4.08 105.19 103.56 3i3b n GLY 590 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 3i3b n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i3b n ASP 591 N 0.00 0.00 -0.45 1.61 8.00 -0.63 -3.05 116.55 122.03 3i3b n ASP 591 Ca 0.00 -0.36 0.06 0.00 0.71 0.00 0.00 54.79 55.21 3i3b n ASP 591 Cb 0.00 -0.21 0.15 0.00 -0.02 0.00 0.00 41.12 41.04 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 -1.21 0.41 -0.99 1.24 3.01 -1.26 -4.93 117.46 113.72 3i3b n PHE 592 Ca 0.17 -0.73 0.00 0.00 1.01 0.00 0.00 57.45 57.89 3i3b n PHE 592 Cb 0.20 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 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 -0.47 0.55 3.70 1.37 0.00 -1.17 -4.84 105.19 104.34 3i3b n GLY 593 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3i3b n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i3b s ASP 594 N -2.19 7.02 -0.26 1.61 -4.77 -1.26 -5.01 116.67 111.81 3i3b s ASP 594 Ca 0.00 1.99 -0.22 0.00 -3.30 0.00 0.00 52.55 51.02 3i3b s ASP 594 Cb 0.00 -2.57 0.07 0.00 -1.09 0.00 0.00 42.92 39.33 3i3b s ASP 594 CO 0.00 -0.55 0.69 0.28 0.70 0.00 0.00 175.17 176.30 3i3b s THR 595 N 1.55 -0.00 0.99 2.11 -1.32 -1.26 -4.10 115.64 113.62 3i3b s THR 595 Ca 0.59 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.96 3i3b s THR 595 Cb -0.29 -0.97 0.19 0.00 -1.51 0.00 0.00 72.50 69.92 3i3b s THR 595 CO 0.27 0.00 1.09 -2.84 -2.21 0.00 0.00 174.62 170.93 3i3b s PRO 596 N 0.69 0.44 0.16 7.08 0.02 -1.26 -5.16 135.00 136.97 3i3b s PRO 596 Ca -0.03 1.08 -0.21 0.00 0.02 0.00 0.00 61.00 61.87 3i3b s PRO 596 Cb -0.05 -1.69 0.06 0.00 0.02 0.00 0.00 34.50 32.83 3i3b s PRO 596 CO -0.04 -2.88 0.56 0.54 -0.33 0.00 0.00 177.00 174.84 3i3b s ASN 597 N -2.85 -0.46 -0.38 2.53 2.20 -1.26 -4.76 114.94 109.96 3i3b s ASN 597 Ca 0.66 -0.13 0.06 0.00 -0.94 0.00 0.00 52.86 52.51 3i3b s ASN 597 Cb -0.22 0.58 0.52 0.00 -2.00 0.00 0.00 41.25 40.13 3i3b s ASN 597 CO 0.60 -0.97 1.59 0.47 -2.94 0.00 0.00 177.10 175.85 3i3b n ASP 598 N -0.35 3.82 0.00 3.54 8.00 -0.60 -4.49 116.55 126.48 3i3b n ASP 598 Ca -0.16 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.58 3i3b n ASP 598 Cb 0.64 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.04 0.00 0.00 -1.24 1.74 -1.26 -2.09 116.66 112.77 3i3b n ARG 599 Ca 0.44 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.64 3i3b n ARG 599 Cb 1.07 0.00 0.72 0.00 -1.02 0.00 0.00 32.46 33.24 3i3b n ARG 599 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i3b n GLN 600 N 14.00 0.99 0.00 5.56 0.00 -1.26 -0.87 117.38 135.80 3i3b n GLN 600 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 57.00 57.05 3i3b n GLN 600 Cb 0.00 -1.39 0.26 0.00 0.00 0.00 0.00 30.24 29.11 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 -0.89 0.00 1.37 2.61 7.35 -0.89 -1.82 117.46 125.20 3i3b n PHE 601 Ca 0.18 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 57.01 3i3b n PHE 601 Cb 0.08 -0.36 0.57 0.00 0.35 0.00 0.00 39.48 40.12 3i3b n PHE 601 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i3b s MET 603 N -2.49 2.57 -0.07 0.00 -1.94 -0.75 -1.13 119.30 115.49 3i3b s MET 603 Ca 0.28 -2.24 0.10 0.00 -1.71 0.00 0.00 55.69 52.12 3i3b s MET 603 Cb 0.20 -3.83 0.16 0.00 2.01 0.00 0.00 34.83 33.37 3i3b s MET 603 CO 0.48 -1.17 1.08 0.09 -0.01 0.00 0.00 175.02 175.49 3i3b n ASN 604 N 4.03 1.23 -4.88 3.03 5.03 -1.26 -4.15 115.26 118.29 3i3b n ASN 604 Ca 0.04 -2.58 -0.30 0.00 0.87 0.00 0.00 54.58 52.61 3i3b n ASN 604 Cb 0.40 -0.32 0.01 0.00 -1.02 0.00 0.00 39.78 38.85 3i3b n ASN 604 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3i3b s GLY 605 N -2.00 1.61 0.39 7.41 0.00 -1.25 -1.42 107.32 112.06 3i3b s GLY 605 Ca 0.17 -0.23 0.24 0.00 0.00 0.00 0.00 44.72 44.90 3i3b s GLY 605 CO 0.01 0.02 1.64 1.41 0.00 0.00 0.00 173.10 176.18 3i3b h LEU 606 N -0.19 0.00 -8.52 0.66 3.38 -0.32 -3.44 115.31 106.88 3i3b h LEU 606 Ca -0.45 -0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.17 3i3b h LEU 606 Cb 1.20 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.77 3i3b h LEU 606 CO 0.62 0.00 -0.74 0.68 0.09 0.00 0.00 178.44 179.09 3i3b s VAL 607 N -3.19 1.10 0.96 1.22 -7.23 -0.83 -1.01 120.40 111.42 3i3b s VAL 607 Ca 0.08 -1.71 -0.12 0.00 -1.81 0.00 0.00 61.98 58.42 3i3b s VAL 607 Cb 0.06 -1.46 0.17 0.00 0.56 0.00 0.00 36.38 35.71 3i3b s VAL 607 CO 0.66 -0.53 1.10 -0.36 -0.31 0.00 0.00 175.10 175.66 3i3b s PHE 608 N -2.42 2.22 0.46 2.82 0.08 0.21 -2.11 117.98 119.24 3i3b s PHE 608 Ca 0.08 1.04 0.15 0.00 0.12 0.00 0.00 56.93 58.32 3i3b s PHE 608 Cb -0.03 -3.25 1.12 0.00 -0.57 0.00 0.00 43.02 40.29 3i3b s PHE 608 CO 0.01 -2.69 2.02 0.00 -0.10 0.00 0.00 175.22 174.46 3i3b h ALA 609 N -1.75 2.06 -0.21 5.36 0.00 -1.88 0.17 119.26 123.01 3i3b h ALA 609 Ca -0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3i3b h ALA 609 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3i3b h ALA 609 CO 0.57 -0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.26 3i3b n ASP 610 N -4.47 1.53 -0.37 0.00 5.75 -1.26 -4.48 116.55 113.25 3i3b n ASP 610 Ca 0.07 -2.07 -0.05 0.00 -0.01 0.00 0.00 54.79 52.73 3i3b n ASP 610 Cb 0.33 -0.26 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 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 0.17 -0.57 -2.74 0.11 3.00 0.60 -5.02 116.66 112.20 3i3b n ARG 611 Ca 0.08 0.56 -0.41 0.00 -0.01 0.00 0.00 57.85 58.07 3i3b n ARG 611 Cb 0.28 -4.28 -0.05 0.00 0.00 0.00 0.00 32.46 28.42 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 -2.06 4.35 0.45 0.55 2.01 -1.25 -4.73 115.64 114.95 3i3b s THR 612 Ca 0.00 2.08 -0.24 0.00 0.31 0.00 0.00 61.69 63.84 3i3b s THR 612 Cb 0.00 -4.33 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 3i3b s THR 612 CO 0.00 0.38 1.25 -2.84 -0.69 0.00 0.00 174.62 172.72 3i3b s PRO 613 N -0.43 3.77 0.34 4.92 0.02 -1.26 0.67 135.00 143.03 3i3b s PRO 613 Ca 0.45 2.00 -0.01 0.00 0.02 0.00 0.00 61.00 63.46 3i3b s PRO 613 Cb -0.24 -2.55 -0.04 0.00 0.02 0.00 0.00 34.50 31.69 3i3b s PRO 613 CO 0.31 -0.60 0.56 -1.01 -0.33 0.00 0.00 177.00 175.92 3i3b s HIS 614 N -1.38 3.50 0.47 6.54 3.76 -0.18 -4.78 115.29 123.22 3i3b s HIS 614 Ca 0.62 0.43 0.17 0.00 -0.15 0.00 0.00 55.06 56.12 3i3b s HIS 614 Cb -0.34 -1.96 1.15 0.00 1.11 0.00 0.00 32.58 32.54 3i3b s HIS 614 CO 0.43 0.11 2.01 -1.35 -0.85 0.00 0.00 174.74 175.09 3i3b h PRO 615 N 0.94 0.25 -0.14 8.40 0.11 -1.93 -2.36 132.00 137.27 3i3b h PRO 615 Ca -0.49 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.65 3i3b h PRO 615 Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3i3b h PRO 615 CO 0.63 0.17 0.15 0.00 -0.21 0.00 0.00 178.00 178.73 3i3b h ALA 616 N 1.75 1.78 -0.92 -0.75 0.00 -1.86 -2.53 119.26 116.73 3i3b h ALA 616 Ca 0.23 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3i3b h ALA 616 Cb 0.57 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3i3b h ALA 616 CO -0.05 -0.22 0.58 1.25 0.00 0.00 0.00 179.25 180.81 3i3b h LEU 617 N 0.00 0.93 -0.96 0.00 5.85 -1.60 -2.04 115.31 117.48 3i3b h LEU 617 Ca 0.07 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 3i3b h LEU 617 Cb 0.37 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3i3b h LEU 617 CO -0.00 0.59 -0.23 0.00 -0.34 0.00 0.00 178.44 178.46 3i3b h THR 618 N 1.06 1.26 -0.70 1.05 1.03 -1.66 -0.73 112.91 114.22 3i3b h THR 618 Ca 0.40 -1.23 -0.04 0.00 -0.01 0.00 0.00 66.41 65.53 3i3b h THR 618 Cb 0.17 1.31 -0.03 0.00 -1.07 0.00 0.00 68.15 68.53 3i3b h THR 618 CO -0.17 0.39 0.27 -0.08 -0.01 0.00 0.00 175.52 175.92 3i3b h GLU 619 N 0.43 1.06 -0.01 0.00 4.57 -1.51 -1.46 114.58 117.66 3i3b h GLU 619 Ca 0.07 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3i3b h GLU 619 Cb 0.64 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3i3b h GLU 619 CO 0.05 0.88 0.01 0.00 -1.18 0.00 0.00 179.01 178.76 3i3b h ALA 620 N 1.13 0.02 -0.59 2.92 0.00 -0.88 -2.04 119.26 119.81 3i3b h ALA 620 Ca 0.23 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3i3b h ALA 620 Cb 0.22 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3i3b h ALA 620 CO -0.02 -0.41 0.26 -0.22 0.00 0.00 0.00 179.25 178.87 3i3b h LYS 621 N -0.13 0.47 0.40 0.00 3.64 -0.93 -1.09 116.57 118.92 3i3b h LYS 621 Ca 0.00 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3i3b h LYS 621 Cb 0.15 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3i3b h LYS 621 CO -0.00 0.31 -0.19 1.25 -2.27 0.00 0.00 179.45 178.55 3i3b h HIS 622 N 0.48 -0.50 -0.11 1.91 2.76 -1.13 -2.75 115.15 115.82 3i3b h HIS 622 Ca 0.28 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 3i3b h HIS 622 Cb 0.28 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 3i3b h HIS 622 CO -0.13 -0.29 -0.04 1.96 -1.30 0.00 0.00 177.93 178.13 3i3b h GLN 623 N -0.57 0.16 -0.21 5.26 1.08 -1.19 -2.48 115.11 117.17 3i3b h GLN 623 Ca -0.05 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3i3b h GLN 623 Cb 0.43 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 3i3b h GLN 623 CO 0.09 0.22 0.00 1.04 -0.95 0.00 0.00 178.83 179.23 3i3b n GLN 624 N -4.39 1.59 -1.51 1.46 6.02 -0.43 -4.96 117.38 115.16 3i3b n GLN 624 Ca -0.01 -0.90 -0.38 0.00 -0.01 0.00 0.00 57.00 55.69 3i3b n GLN 624 Cb 0.18 -1.28 0.04 0.00 1.02 0.00 0.00 30.24 30.19 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 0.18 0.64 -0.09 -1.09 6.02 -0.94 -4.88 117.38 117.23 3i3b n GLN 625 Ca 0.12 0.25 0.12 0.00 -0.01 0.00 0.00 57.00 57.48 3i3b n GLN 625 Cb 0.24 -1.80 0.25 0.00 1.02 0.00 0.00 30.24 29.95 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 -1.57 0.24 -4.63 1.08 3.01 -1.26 -4.83 117.46 109.49 3i3b n PHE 626 Ca 0.12 -0.12 -0.25 0.00 1.01 0.00 0.00 57.45 58.21 3i3b n PHE 626 Cb 0.46 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.77 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 -1.76 1.53 0.04 1.38 0.08 -1.26 -0.19 117.98 117.80 3i3b s PHE 627 Ca 0.34 -0.56 0.04 0.00 0.12 0.00 0.00 56.93 56.87 3i3b s PHE 627 Cb 0.21 -1.11 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 3i3b s PHE 627 CO 0.30 -0.28 -0.07 -0.65 -0.10 0.00 0.00 175.22 174.42 3i3b s GLN 628 N 0.62 2.43 0.09 0.44 -1.52 -0.19 -4.91 119.66 116.62 3i3b s GLN 628 Ca -0.14 -0.82 0.06 0.00 -1.95 0.00 0.00 55.36 52.51 3i3b s GLN 628 Cb -0.16 -2.45 -0.03 0.00 -0.22 0.00 0.00 33.01 30.15 3i3b s GLN 628 CO 0.04 0.57 -0.16 -0.06 -0.25 0.00 0.00 175.29 175.43 3i3b s PHE 629 N -1.09 1.38 0.00 0.91 0.08 -1.26 -0.62 117.98 117.39 3i3b s PHE 629 Ca 0.19 -0.47 -0.01 0.00 0.12 0.00 0.00 56.93 56.77 3i3b s PHE 629 Cb -0.11 -0.76 -0.01 0.00 -0.57 0.00 0.00 43.02 41.57 3i3b s PHE 629 CO 0.10 0.11 0.01 1.03 -0.10 0.00 0.00 175.22 176.37 3i3b s ARG 630 N -1.96 0.15 -0.10 0.44 0.52 -0.82 -4.98 118.95 112.19 3i3b s ARG 630 Ca 0.02 -0.21 0.03 0.00 -0.52 0.00 0.00 55.73 55.05 3i3b s ARG 630 Cb -0.09 0.06 -0.01 0.00 0.52 0.00 0.00 34.95 35.43 3i3b s ARG 630 CO 0.03 -0.02 -0.21 -1.17 0.02 0.00 0.00 175.30 173.94 3i3b s LEU 631 N -0.57 2.27 -0.12 2.53 2.96 -1.26 -1.09 118.68 123.40 3i3b s LEU 631 Ca -0.06 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.32 3i3b s LEU 631 Cb -0.04 -1.46 0.05 0.00 0.50 0.00 0.00 46.19 45.23 3i3b s LEU 631 CO -0.00 0.17 0.07 -0.55 -1.32 0.00 0.00 176.35 174.72 3i3b s SER 632 N 0.29 1.85 1.89 3.68 0.15 -0.73 -5.01 113.70 115.82 3i3b s SER 632 Ca -0.15 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.17 3i3b s SER 632 Cb -0.17 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 3i3b s SER 632 CO 0.08 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.82 3i3b n GLY 633 N 5.28 3.56 0.61 9.45 0.00 -1.26 -0.50 105.19 122.33 3i3b n GLY 633 Ca -0.05 0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.17 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 10.77 1.86 -3.98 1.61 6.02 -1.26 -4.97 117.38 127.43 3i3b n GLN 634 Ca 0.00 -2.91 -0.35 0.00 -0.01 0.00 0.00 57.00 53.73 3i3b n GLN 634 Cb 0.00 -1.68 -0.14 0.00 1.02 0.00 0.00 30.24 29.45 3i3b n GLN 634 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3i3b s THR 635 N -3.02 3.52 -0.23 5.09 2.01 0.35 -0.35 115.64 123.01 3i3b s THR 635 Ca 0.38 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.81 3i3b s THR 635 Cb 0.34 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 3i3b s THR 635 CO 0.02 0.42 0.23 -0.63 -0.69 0.00 0.00 174.62 173.98 3i3b s ILE 636 N 1.33 5.31 -0.26 1.82 1.01 0.11 -1.78 121.20 128.74 3i3b s ILE 636 Ca 0.04 0.34 -0.09 0.00 0.00 0.00 0.00 60.65 60.94 3i3b s ILE 636 Cb -0.14 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 3i3b s ILE 636 CO -0.01 0.32 0.12 -0.70 0.00 0.00 0.00 174.94 174.66 3i3b s GLU 637 N 1.14 3.77 -0.28 2.79 2.12 -0.25 -0.61 118.70 127.38 3i3b s GLU 637 Ca 0.11 -0.42 -0.08 0.00 0.36 0.00 0.00 54.97 54.95 3i3b s GLU 637 Cb -0.14 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.77 3i3b s GLU 637 CO 0.06 -0.19 0.10 0.08 -0.54 0.00 0.00 175.26 174.77 3i3b s VAL 638 N 1.67 4.32 -0.11 3.70 1.01 0.03 -1.95 120.40 129.07 3i3b s VAL 638 Ca 0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 3i3b s VAL 638 Cb -0.15 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3i3b s VAL 638 CO 0.07 0.19 0.01 -0.89 0.00 0.00 0.00 175.10 174.48 3i3b s THR 639 N 1.59 4.38 -0.12 3.92 2.01 0.21 -0.70 115.64 126.92 3i3b s THR 639 Ca 0.05 -0.21 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 3i3b s THR 639 Cb -0.16 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 3i3b s THR 639 CO 0.04 0.57 0.24 -0.55 -0.69 0.00 0.00 174.62 174.23 3i3b s SER 640 N -0.50 6.46 0.00 3.53 0.15 0.65 -1.02 113.70 122.97 3i3b s SER 640 Ca 0.09 0.54 0.18 0.00 0.70 0.00 0.00 55.95 57.46 3i3b s SER 640 Cb -0.12 -2.15 0.48 0.00 -1.71 0.00 0.00 66.02 62.52 3i3b s SER 640 CO 0.02 0.25 1.40 -0.62 1.20 0.00 0.00 173.24 175.49 3i3b n GLU 641 N 2.74 2.64 -2.49 5.44 1.02 0.74 -2.39 120.64 128.34 3i3b n GLU 641 Ca -0.15 -2.35 -0.36 0.00 -0.02 0.00 0.00 57.16 54.28 3i3b n GLU 641 Cb 0.53 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 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 -1.08 3.11 -0.08 -0.32 2.02 -1.26 -4.82 117.35 114.92 3i3b s TYR 642 Ca 0.38 1.61 0.20 0.00 -0.37 0.00 0.00 57.07 58.88 3i3b s TYR 642 Cb 0.20 -3.15 -0.29 0.00 -0.40 0.00 0.00 41.96 38.32 3i3b s TYR 642 CO 0.27 -0.84 0.32 1.28 -1.57 0.00 0.00 175.55 175.01 3i3b n LEU 643 N -0.43 0.00 0.00 -1.29 4.77 -1.26 -1.72 117.00 117.07 3i3b n LEU 643 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3i3b n LEU 643 Cb 0.50 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3i3b n LEU 643 CO 0.44 0.17 -0.41 0.49 -1.33 0.00 0.00 177.39 176.74 3i3b n PHE 644 N -2.39 0.00 -3.57 -1.77 3.72 -1.26 -4.86 117.46 107.33 3i3b n PHE 644 Ca -0.13 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.97 3i3b n PHE 644 Cb 0.75 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.25 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 -1.82 3.61 0.51 -1.08 1.70 -1.26 -4.80 118.95 115.80 3i3b s ARG 645 Ca 0.00 -0.11 -0.04 0.00 -0.47 0.00 0.00 55.73 55.11 3i3b s ARG 645 Cb 0.00 -2.77 -0.01 0.00 -0.57 0.00 0.00 34.95 31.59 3i3b s ARG 645 CO 0.00 0.37 0.80 -1.01 -1.08 0.00 0.00 175.30 174.38 3i3b s HIS 646 N -1.85 3.39 -1.41 5.89 3.76 -1.26 -3.50 115.29 120.31 3i3b s HIS 646 Ca 0.42 0.64 -0.12 0.00 -0.15 0.00 0.00 55.06 55.84 3i3b s HIS 646 Cb -0.11 -2.45 0.07 0.00 1.11 0.00 0.00 32.58 31.21 3i3b s HIS 646 CO 0.27 -0.47 2.17 -1.13 -0.85 0.00 0.00 174.74 174.73 3i3b n SER 647 N -2.33 4.65 -0.94 1.40 3.41 -0.90 -4.67 113.62 114.24 3i3b n SER 647 Ca 0.02 -2.92 0.05 0.00 -0.26 0.00 0.00 58.87 55.76 3i3b n SER 647 Cb 0.56 -1.59 0.18 0.00 -0.26 0.00 0.00 64.21 63.11 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 5.13 2.68 -2.70 4.04 5.68 -1.26 -3.93 116.55 126.19 3i3b n ASP 648 Ca 0.50 -2.24 -0.06 0.00 -0.50 0.00 0.00 54.79 52.50 3i3b n ASP 648 Cb 0.37 -0.42 0.09 0.00 -1.14 0.00 0.00 41.12 40.02 3i3b n ASP 648 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3i3b n ASN 649 N 0.44 -0.72 -3.93 -1.12 5.15 -1.26 -5.06 115.26 108.76 3i3b n ASN 649 Ca 0.13 -2.43 -0.13 0.00 -0.60 0.00 0.00 54.58 51.55 3i3b n ASN 649 Cb 0.52 0.45 -0.14 0.00 -0.53 0.00 0.00 39.78 40.09 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 -0.96 0.23 -0.02 1.20 8.01 -1.25 -4.22 118.70 121.68 3i3b s GLU 650 Ca 0.21 -0.20 0.01 0.00 0.01 0.00 0.00 54.97 55.00 3i3b s GLU 650 Cb 0.42 -0.16 0.02 0.00 -4.31 0.00 0.00 34.13 30.10 3i3b s GLU 650 CO -0.06 0.04 -0.00 -1.17 0.01 0.00 0.00 175.26 174.07 3i3b s LEU 651 N -0.33 1.37 -0.29 1.80 2.96 0.15 -2.98 118.68 121.36 3i3b s LEU 651 Ca -0.02 -0.03 -0.14 0.00 -0.22 0.00 0.00 54.13 53.72 3i3b s LEU 651 Cb -0.03 -0.19 -0.03 0.00 0.50 0.00 0.00 46.19 46.44 3i3b s LEU 651 CO -0.00 -0.07 0.34 -0.22 -1.32 0.00 0.00 176.35 175.08 3i3b s LEU 652 N 0.75 4.11 -0.16 -0.68 2.96 -0.11 0.25 118.68 125.80 3i3b s LEU 652 Ca -0.07 0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.91 3i3b s LEU 652 Cb -0.11 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 3i3b s LEU 652 CO -0.01 -0.19 0.06 -1.00 -1.32 0.00 0.00 176.35 173.89 3i3b s HIS 653 N 2.01 3.28 0.16 5.38 3.76 -0.01 -0.73 115.29 129.14 3i3b s HIS 653 Ca 0.13 0.14 0.11 0.00 -0.15 0.00 0.00 55.06 55.29 3i3b s HIS 653 Cb -0.16 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 3i3b s HIS 653 CO 0.10 0.26 -0.26 1.67 -0.85 0.00 0.00 174.74 175.67 3i3b s TRP 654 N 0.05 2.29 -0.17 1.40 1.48 -0.37 -0.88 118.94 122.73 3i3b s TRP 654 Ca 0.06 -0.37 -0.09 0.00 -1.06 0.00 0.00 56.10 54.64 3i3b s TRP 654 Cb -0.12 -1.19 0.06 0.00 -1.16 0.00 0.00 33.47 31.06 3i3b s TRP 654 CO 0.01 0.40 0.41 1.41 -4.06 0.00 0.00 176.95 175.12 3i3b s MET 655 N -2.32 0.37 -0.14 3.25 1.75 0.16 -1.63 119.30 120.73 3i3b s MET 655 Ca 0.17 0.82 -0.02 0.00 -1.25 0.00 0.00 55.69 55.41 3i3b s MET 655 Cb -0.09 0.03 -0.02 0.00 2.84 0.00 0.00 34.83 37.59 3i3b s MET 655 CO 0.08 -0.18 -0.09 0.08 -0.65 0.00 0.00 175.02 174.26 3i3b s VAL 656 N 1.61 3.40 0.02 10.11 1.01 0.62 -0.74 120.40 136.42 3i3b s VAL 656 Ca -0.08 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3i3b s VAL 656 Cb -0.09 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 3i3b s VAL 656 CO -0.13 0.51 -0.06 0.00 0.00 0.00 0.00 175.10 175.42 3i3b s ALA 657 N 0.41 0.43 -0.48 5.51 0.00 -0.55 -0.87 121.76 126.21 3i3b s ALA 657 Ca -0.07 -0.49 -0.16 0.00 0.00 0.00 0.00 51.96 51.24 3i3b s ALA 657 Cb -0.15 -0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.04 3i3b s ALA 657 CO 0.04 0.01 0.43 -1.17 0.00 0.00 0.00 175.76 175.08 3i3b s LEU 658 N -0.91 5.54 -1.27 0.00 2.96 0.32 -0.43 118.68 124.89 3i3b s LEU 658 Ca -0.05 -1.28 -0.24 0.00 -0.22 0.00 0.00 54.13 52.34 3i3b s LEU 658 Cb -0.06 -2.22 0.02 0.00 0.50 0.00 0.00 46.19 44.43 3i3b s LEU 658 CO 0.00 -0.69 0.57 0.47 -1.32 0.00 0.00 176.35 175.38 3i3b n ASP 659 N 5.35 -3.21 0.00 3.68 8.00 -0.86 -1.42 116.55 128.09 3i3b n ASP 659 Ca -0.12 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.16 3i3b n ASP 659 Cb 0.44 -2.09 0.00 0.00 -0.02 0.00 0.00 41.12 39.45 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 -2.09 2.83 3.61 0.44 0.00 -1.26 -4.87 105.19 103.85 3i3b n GLY 660 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.03 3.90 0.19 1.61 1.02 -0.51 -4.68 119.74 121.24 3i3b s LYS 661 Ca 0.00 0.62 -0.32 0.00 0.02 0.00 0.00 55.97 56.29 3i3b s LYS 661 Cb 0.00 -3.77 -0.12 0.00 -0.52 0.00 0.00 37.83 33.42 3i3b s LYS 661 CO 0.00 -0.85 1.73 -2.30 -0.92 0.00 0.00 175.35 173.02 3i3b n PRO 662 N 6.57 2.72 -0.03 -1.68 -0.02 -1.26 -0.52 135.00 140.77 3i3b n PRO 662 Ca 0.06 0.98 -0.04 0.00 -2.02 0.00 0.00 63.50 62.49 3i3b n PRO 662 Cb 0.48 -2.83 -0.05 0.00 -0.02 0.00 0.00 33.50 31.08 3i3b n PRO 662 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i3b n LEU 663 N 4.23 0.82 -3.51 2.45 4.77 -0.05 -4.89 117.00 120.81 3i3b n LEU 663 Ca 0.17 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 3i3b n LEU 663 Cb 0.35 0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 3i3b n LEU 663 CO 0.64 0.29 0.60 0.00 -1.33 0.00 0.00 177.39 177.59 3i3b s ALA 664 N -2.15 -1.80 0.25 -1.18 0.00 -1.03 -4.94 121.76 110.89 3i3b s ALA 664 Ca -0.05 1.16 -0.22 0.00 0.00 0.00 0.00 51.96 52.85 3i3b s ALA 664 Cb 0.02 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.26 3i3b s ALA 664 CO 0.24 -0.52 0.73 -1.54 0.00 0.00 0.00 175.76 174.66 3i3b s SER 665 N -1.84 -0.30 0.04 0.00 1.04 -1.26 -0.27 113.70 111.11 3i3b s SER 665 Ca -0.01 -0.49 -0.15 0.00 0.48 0.00 0.00 55.95 55.77 3i3b s SER 665 Cb -0.01 0.68 0.05 0.00 0.10 0.00 0.00 66.02 66.85 3i3b s SER 665 CO -0.02 -1.24 0.71 0.61 0.98 0.00 0.00 173.24 174.27 3i3b n GLY 666 N -0.45 0.59 3.23 7.32 0.00 -0.65 -4.99 105.19 110.24 3i3b n GLY 666 Ca -0.06 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 3i3b n GLY 666 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i3b s GLU 667 N -2.02 0.37 -0.01 1.61 -1.05 -1.26 -1.24 118.70 115.11 3i3b s GLU 667 Ca 0.16 0.61 0.06 0.00 -0.15 0.00 0.00 54.97 55.65 3i3b s GLU 667 Cb -0.01 0.07 -0.02 0.00 -0.44 0.00 0.00 34.13 33.73 3i3b s GLU 667 CO 0.01 -0.11 -0.19 0.08 0.95 0.00 0.00 175.26 176.00 3i3b s VAL 668 N 0.81 1.51 0.29 1.83 1.01 0.09 -4.98 120.40 120.96 3i3b s VAL 668 Ca -0.05 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 3i3b s VAL 668 Cb -0.06 -1.26 -0.10 0.00 0.00 0.00 0.00 36.38 34.96 3i3b s VAL 668 CO -0.06 0.39 1.15 -2.84 0.00 0.00 0.00 175.10 173.74 3i3b s PRO 669 N -0.54 4.57 -0.19 2.72 0.02 -1.26 -0.93 135.00 139.39 3i3b s PRO 669 Ca 0.07 1.91 -0.12 0.00 0.02 0.00 0.00 61.00 62.87 3i3b s PRO 669 Cb -0.07 -3.16 -0.05 0.00 0.02 0.00 0.00 34.50 31.24 3i3b s PRO 669 CO -0.00 0.12 0.24 -0.51 -0.33 0.00 0.00 177.00 176.51 3i3b s LEU 670 N -1.53 4.19 -0.41 -5.54 1.43 -1.16 -4.85 118.68 110.81 3i3b s LEU 670 Ca 0.45 0.35 0.06 0.00 -1.03 0.00 0.00 54.13 53.97 3i3b s LEU 670 Cb -0.34 -2.26 0.21 0.00 0.03 0.00 0.00 46.19 43.82 3i3b s LEU 670 CO 0.44 0.09 0.43 -0.67 0.23 0.00 0.00 176.35 176.87 3i3b n ASP 671 N 3.84 -0.03 -4.29 2.29 2.03 -1.26 -4.67 116.55 114.46 3i3b n ASP 671 Ca -0.13 -2.55 -0.32 0.00 0.52 0.00 0.00 54.79 52.30 3i3b n ASP 671 Cb 0.52 -0.60 -0.16 0.00 -0.72 0.00 0.00 41.12 40.16 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 -0.57 2.39 0.60 5.18 0.11 -1.26 -4.90 120.40 121.95 3i3b s VAL 672 Ca 0.34 -0.91 -0.16 0.00 -2.93 0.00 0.00 61.98 58.32 3i3b s VAL 672 Cb 0.10 -1.94 -0.03 0.00 -1.53 0.00 0.00 36.38 32.98 3i3b s VAL 672 CO -0.16 0.55 1.07 0.00 -3.33 0.00 0.00 175.10 173.23 3i3b s ALA 673 N 0.19 2.70 0.24 1.54 0.00 -1.26 -2.11 121.76 123.06 3i3b s ALA 673 Ca -0.12 0.41 -0.31 0.00 0.00 0.00 0.00 51.96 51.94 3i3b s ALA 673 Cb -0.16 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.58 3i3b s ALA 673 CO 0.07 -0.89 1.35 -0.35 0.00 0.00 0.00 175.76 175.94 3i3b n PRO 674 N -2.11 1.89 -0.89 0.00 -0.04 -1.23 0.65 135.00 133.27 3i3b n PRO 674 Ca 0.09 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 3i3b n PRO 674 Cb 0.53 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 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 1.86 -0.51 -2.62 0.54 1.13 -0.70 -4.94 117.38 112.14 3i3b n GLN 675 Ca 0.12 0.13 -0.19 0.00 -1.94 0.00 0.00 57.00 55.11 3i3b n GLN 675 Cb 0.31 -3.73 0.09 0.00 0.11 0.00 0.00 30.24 27.01 3i3b n GLN 675 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i3b n GLY 676 N -1.51 1.34 3.19 1.08 0.00 0.21 -4.74 105.19 104.75 3i3b n GLY 676 Ca 0.00 -2.13 -0.16 0.00 0.00 0.00 0.00 46.02 43.73 3i3b n GLY 676 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3b s LYS 677 N -4.65 0.87 -0.02 1.61 1.02 -1.26 -0.25 119.74 117.07 3i3b s LYS 677 Ca 0.58 -1.12 0.01 0.00 0.02 0.00 0.00 55.97 55.47 3i3b s LYS 677 Cb -0.04 -0.68 0.01 0.00 -0.52 0.00 0.00 37.83 36.60 3i3b s LYS 677 CO 0.38 0.12 -0.02 -1.14 -0.92 0.00 0.00 175.35 173.77 3i3b s GLN 678 N -2.47 0.34 -0.18 1.68 0.74 0.12 -4.84 119.66 115.04 3i3b s GLN 678 Ca 0.04 -0.05 -0.10 0.00 0.05 0.00 0.00 55.36 55.30 3i3b s GLN 678 Cb -0.05 -0.40 -0.05 0.00 1.10 0.00 0.00 33.01 33.61 3i3b s GLN 678 CO 0.01 -0.01 0.15 -0.51 -0.55 0.00 0.00 175.29 174.38 3i3b s LEU 679 N 0.40 4.24 -0.17 3.68 1.43 -1.26 -0.79 118.68 126.21 3i3b s LEU 679 Ca -0.04 0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3i3b s LEU 679 Cb -0.07 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 44.08 3i3b s LEU 679 CO -0.01 0.21 -0.03 -0.63 0.23 0.00 0.00 176.35 176.12 3i3b s ILE 680 N 0.15 1.00 -0.21 -0.59 1.01 0.22 -4.98 121.20 117.80 3i3b s ILE 680 Ca 0.10 -0.61 -0.14 0.00 0.00 0.00 0.00 60.65 60.00 3i3b s ILE 680 Cb -0.11 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3i3b s ILE 680 CO -0.01 0.07 0.32 -0.70 0.00 0.00 0.00 174.94 174.63 3i3b s GLU 681 N 1.67 4.16 0.33 2.79 2.12 -1.26 0.09 118.70 128.60 3i3b s GLU 681 Ca 0.00 0.07 -0.27 0.00 0.36 0.00 0.00 54.97 55.13 3i3b s GLU 681 Cb -0.16 -3.52 -0.09 0.00 0.26 0.00 0.00 34.13 30.62 3i3b s GLU 681 CO -0.07 0.03 1.03 -0.51 -0.54 0.00 0.00 175.26 175.19 3i3b s LEU 682 N 1.13 4.37 0.99 2.70 1.43 0.52 -5.01 118.68 124.81 3i3b s LEU 682 Ca 0.16 2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 55.21 3i3b s LEU 682 Cb -0.14 -3.91 0.19 0.00 0.03 0.00 0.00 46.19 42.36 3i3b s LEU 682 CO 0.06 -0.22 1.10 -2.84 0.23 0.00 0.00 176.35 174.69 3i3b s PRO 683 N -1.92 0.43 0.02 1.29 0.02 -1.26 -4.84 135.00 128.74 3i3b s PRO 683 Ca 0.50 1.29 -0.30 0.00 0.02 0.00 0.00 61.00 62.51 3i3b s PRO 683 Cb -0.25 -1.68 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 3i3b s PRO 683 CO 0.31 -2.95 1.86 -2.00 -0.33 0.00 0.00 177.00 173.89 3i3b s GLU 684 N -4.60 4.15 0.14 5.54 2.12 -1.26 -4.94 118.70 119.86 3i3b s GLU 684 Ca 0.67 2.48 -0.27 0.00 0.36 0.00 0.00 54.97 58.22 3i3b s GLU 684 Cb -0.23 -4.05 -0.07 0.00 0.26 0.00 0.00 34.13 30.04 3i3b s GLU 684 CO 0.60 -0.91 0.83 -0.51 -0.54 0.00 0.00 175.26 174.73 3i3b s LEU 685 N 4.14 4.56 0.56 2.70 1.43 -1.26 -5.03 118.68 125.77 3i3b s LEU 685 Ca 0.83 1.68 -0.20 0.00 -1.03 0.00 0.00 54.13 55.41 3i3b s LEU 685 Cb -0.40 -3.38 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 3i3b s LEU 685 CO 0.37 0.12 1.23 -2.16 0.23 0.00 0.00 176.35 176.14 3i3b s PRO 686 N -0.74 3.15 0.19 1.29 0.04 -1.26 -4.94 135.00 132.73 3i3b s PRO 686 Ca 0.39 1.90 -0.31 0.00 0.04 0.00 0.00 61.00 63.02 3i3b s PRO 686 Cb -0.23 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 3i3b s PRO 686 CO 0.27 -1.09 1.47 -0.65 0.04 0.00 0.00 177.00 177.05 3i3b s GLN 687 N -3.13 4.26 0.40 4.56 -1.52 -1.26 -4.94 119.66 118.04 3i3b s GLN 687 Ca 0.74 2.27 -0.25 0.00 -1.95 0.00 0.00 55.36 56.17 3i3b s GLN 687 Cb -0.32 -3.15 -0.11 0.00 -0.22 0.00 0.00 33.01 29.21 3i3b s GLN 687 CO 0.36 -0.48 1.12 -0.35 -0.25 0.00 0.00 175.29 175.69 3i3b n PRO 688 N 3.21 1.61 -0.18 2.91 -0.04 -1.26 -4.89 135.00 136.36 3i3b n PRO 688 Ca 0.10 0.57 -0.08 0.00 -0.04 0.00 0.00 63.50 64.05 3i3b n PRO 688 Cb 0.40 -2.16 0.01 0.00 -0.04 0.00 0.00 33.50 31.72 3i3b n PRO 688 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3i3b h GLU 689 N 1.86 0.76 0.00 0.54 4.39 -2.02 -3.47 114.58 116.64 3i3b h GLU 689 Ca -0.45 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.12 3i3b h GLU 689 Cb 1.32 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3i3b h GLU 689 CO 0.59 0.66 0.00 -1.13 -1.16 0.00 0.00 179.01 177.97 3i3b n SER 690 N -4.56 0.81 -4.86 1.42 3.41 -1.26 -5.15 113.62 103.43 3i3b n SER 690 Ca 0.02 -0.10 -0.31 0.00 -0.26 0.00 0.00 58.87 58.22 3i3b n SER 690 Cb 0.15 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.12 3i3b n SER 690 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3b s ALA 691 N -2.00 2.99 0.00 7.33 0.00 -1.26 -4.90 121.76 123.92 3i3b s ALA 691 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3i3b s ALA 691 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 3i3b s ALA 691 CO 0.00 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.34 3i3b n GLY 692 N -2.56 0.93 3.54 0.00 0.00 0.02 -4.95 105.19 102.18 3i3b n GLY 692 Ca 0.06 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.13 3.81 0.14 1.61 2.00 -1.26 -0.53 119.66 124.31 3i3b s GLN 693 Ca 0.00 -0.42 -0.25 0.00 -2.00 0.00 0.00 55.36 52.69 3i3b s GLN 693 Cb 0.00 -3.21 -0.08 0.00 0.80 0.00 0.00 33.01 30.53 3i3b s GLN 693 CO 0.00 0.10 0.75 -0.51 -0.50 0.00 0.00 175.29 175.13 3i3b s LEU 694 N 0.82 4.57 -0.06 3.68 1.43 -0.06 -2.04 118.68 127.02 3i3b s LEU 694 Ca 0.03 1.59 0.03 0.00 -1.03 0.00 0.00 54.13 54.75 3i3b s LEU 694 Cb -0.14 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.84 3i3b s LEU 694 CO 0.02 0.20 -0.17 0.26 0.23 0.00 0.00 176.35 176.89 3i3b s TRP 695 N -1.03 1.78 -0.20 0.29 0.52 0.42 -0.86 118.94 119.87 3i3b s TRP 695 Ca 0.35 -0.62 -0.09 0.00 0.02 0.00 0.00 56.10 55.77 3i3b s TRP 695 Cb -0.22 -1.23 -0.05 0.00 -1.15 0.00 0.00 33.47 30.82 3i3b s TRP 695 CO 0.25 -0.26 0.11 -1.17 0.02 0.00 0.00 176.95 175.90 3i3b s LEU 696 N 0.33 4.02 -0.10 2.99 2.96 0.23 -1.48 118.68 127.62 3i3b s LEU 696 Ca -0.11 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 3i3b s LEU 696 Cb -0.14 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.53 3i3b s LEU 696 CO 0.04 0.15 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.23 3i3b s THR 697 N 0.53 1.12 0.06 3.68 2.01 0.08 -1.17 115.64 121.95 3i3b s THR 697 Ca 0.06 -0.39 0.10 0.00 0.31 0.00 0.00 61.69 61.77 3i3b s THR 697 Cb -0.12 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 3i3b s THR 697 CO 0.00 0.38 -0.26 0.68 -0.69 0.00 0.00 174.62 174.72 3i3b s VAL 698 N 1.36 2.16 -0.00 3.82 -7.23 -0.61 -0.67 120.40 119.22 3i3b s VAL 698 Ca -0.01 -1.46 -0.00 0.00 -1.81 0.00 0.00 61.98 58.70 3i3b s VAL 698 Cb -0.14 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.95 3i3b s VAL 698 CO -0.05 0.31 0.01 0.00 -0.31 0.00 0.00 175.10 175.06 3i3b s ARG 699 N -1.39 0.01 -0.22 4.82 1.70 -0.06 -1.67 118.95 122.13 3i3b s ARG 699 Ca 0.12 0.01 -0.15 0.00 -0.47 0.00 0.00 55.73 55.24 3i3b s ARG 699 Cb -0.10 -0.00 -0.04 0.00 -0.57 0.00 0.00 34.95 34.24 3i3b s ARG 699 CO 0.03 -0.01 0.38 0.08 -1.08 0.00 0.00 175.30 174.70 3i3b s VAL 700 N 0.03 5.20 -0.03 4.99 1.01 0.91 -0.83 120.40 131.69 3i3b s VAL 700 Ca -0.00 0.63 0.05 0.00 0.00 0.00 0.00 61.98 62.66 3i3b s VAL 700 Cb -0.00 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3i3b s VAL 700 CO -0.00 0.23 -0.17 -0.69 0.00 0.00 0.00 175.10 174.47 3i3b s VAL 701 N 1.53 2.83 -0.49 2.92 1.01 0.14 -1.64 120.40 126.69 3i3b s VAL 701 Ca 0.17 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 3i3b s VAL 701 Cb -0.15 -2.10 0.09 0.00 0.00 0.00 0.00 36.38 34.22 3i3b s VAL 701 CO 0.08 0.54 0.42 -1.10 0.00 0.00 0.00 175.10 175.04 3i3b s GLN 702 N -0.84 2.96 0.15 2.72 -0.21 -0.04 0.31 119.66 124.71 3i3b s GLN 702 Ca 0.12 -1.46 -0.17 0.00 0.02 0.00 0.00 55.36 53.87 3i3b s GLN 702 Cb -0.10 -4.16 0.06 0.00 1.00 0.00 0.00 33.01 29.80 3i3b s GLN 702 CO 0.01 -1.11 1.71 -1.35 -2.12 0.00 0.00 175.29 172.43 3i3b h PRO 703 N 8.77 0.11 -6.24 2.91 0.11 -1.89 0.40 132.00 136.18 3i3b h PRO 703 Ca -0.29 -0.01 -0.57 0.00 0.11 0.00 0.00 66.00 65.25 3i3b h PRO 703 Cb 1.11 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3i3b h PRO 703 CO 0.92 0.08 -0.20 -0.80 -0.21 0.00 0.00 178.00 177.78 3i3b s ASN 704 N -5.27 6.63 0.72 -2.05 0.01 -1.26 -3.38 114.94 110.34 3i3b s ASN 704 Ca -0.13 0.82 -0.12 0.00 -0.71 0.00 0.00 52.86 52.73 3i3b s ASN 704 Cb 0.12 -2.19 0.02 0.00 0.41 0.00 0.00 41.25 39.62 3i3b s ASN 704 CO 0.70 0.07 1.08 0.00 -1.51 0.00 0.00 177.10 177.44 3i3b s ALA 705 N -1.58 2.47 0.19 0.60 0.00 -1.26 -4.49 121.76 117.69 3i3b s ALA 705 Ca 0.39 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.63 3i3b s ALA 705 Cb -0.13 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3i3b s ALA 705 CO 0.20 -1.44 0.11 0.25 0.00 0.00 0.00 175.76 174.89 3i3b n THR 706 N -3.13 0.00 0.23 0.00 -2.24 0.61 -4.92 114.28 104.83 3i3b n THR 706 Ca 0.09 -1.24 0.10 0.00 -2.27 0.00 0.00 64.05 60.72 3i3b n THR 706 Cb 0.53 0.54 0.53 0.00 -2.10 0.00 0.00 70.33 69.83 3i3b n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i3b h ALA 707 N 1.46 1.15 -0.07 6.98 0.00 -1.99 -3.20 119.26 123.59 3i3b h ALA 707 Ca -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3i3b h ALA 707 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i3b h ALA 707 CO 0.22 0.28 0.00 -2.67 0.00 0.00 0.00 179.25 177.08 3i3b n TRP 708 N -3.58 0.09 -3.60 0.00 4.27 -1.26 -5.06 117.44 108.30 3i3b n TRP 708 Ca -0.01 -0.20 -0.11 0.00 -3.89 0.00 0.00 57.50 53.29 3i3b n TRP 708 Cb 0.36 -0.02 -0.04 0.00 -1.36 0.00 0.00 31.31 30.26 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 -0.67 -0.33 0.43 -0.67 1.04 -1.21 -4.65 113.70 107.64 3i3b s SER 709 Ca 0.08 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.25 3i3b s SER 709 Cb 0.05 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.70 3i3b s SER 709 CO 0.07 -0.94 0.64 -1.61 0.98 0.00 0.00 173.24 172.38 3i3b s GLU 710 N -3.81 3.08 0.33 4.02 2.02 -1.26 -0.28 118.70 122.80 3i3b s GLU 710 Ca 0.04 -0.56 -0.29 0.00 0.02 0.00 0.00 54.97 54.19 3i3b s GLU 710 Cb 0.00 -2.59 -0.11 0.00 0.10 0.00 0.00 34.13 31.53 3i3b s GLU 710 CO -0.10 -0.22 1.43 0.00 0.02 0.00 0.00 175.26 176.39 3i3b s ALA 711 N -2.50 3.57 0.00 5.21 0.00 -1.26 -2.61 121.76 124.17 3i3b s ALA 711 Ca 0.48 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.87 3i3b s ALA 711 Cb -0.10 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.46 3i3b s ALA 711 CO 0.37 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.67 3i3b n GLY 712 N 1.00 0.74 3.73 0.00 0.00 0.14 -4.94 105.19 105.85 3i3b n GLY 712 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3i3b n GLY 712 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i3b s HIS 713 N -2.32 3.01 -0.25 1.61 2.46 -1.07 -4.64 115.29 114.09 3i3b s HIS 713 Ca 0.00 0.75 -0.17 0.00 0.47 0.00 0.00 55.06 56.11 3i3b s HIS 713 Cb 0.00 -3.92 -0.03 0.00 -0.13 0.00 0.00 32.58 28.50 3i3b s HIS 713 CO 0.00 -3.25 0.45 0.42 -2.47 0.00 0.00 174.74 169.88 3i3b s ILE 714 N 0.70 5.13 -0.08 0.89 1.01 -1.26 -0.86 121.20 126.73 3i3b s ILE 714 Ca 0.66 0.75 0.17 0.00 0.00 0.00 0.00 60.65 62.23 3i3b s ILE 714 Cb -0.44 -3.77 -0.26 0.00 0.01 0.00 0.00 42.46 38.01 3i3b s ILE 714 CO 0.36 0.15 0.40 -1.54 0.00 0.00 0.00 174.94 174.31 3i3b n SER 715 N 5.23 1.08 -3.50 3.58 3.41 -0.65 -5.03 113.62 117.74 3i3b n SER 715 Ca -0.06 -0.07 -0.14 0.00 -0.26 0.00 0.00 58.87 58.34 3i3b n SER 715 Cb 0.50 1.72 -0.04 0.00 -0.26 0.00 0.00 64.21 66.13 3i3b n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3b s ALA 716 N -3.14 -1.76 0.22 7.33 0.00 -1.25 -4.66 121.76 118.51 3i3b s ALA 716 Ca -0.05 1.10 -0.21 0.00 0.00 0.00 0.00 51.96 52.80 3i3b s ALA 716 Cb 0.11 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.45 3i3b s ALA 716 CO 0.71 -0.50 0.64 1.67 0.00 0.00 0.00 175.76 178.27 3i3b s TRP 717 N -2.08 -0.32 -0.09 0.00 -2.14 -1.26 -0.06 118.94 112.99 3i3b s TRP 717 Ca -0.05 -0.01 -0.30 0.00 2.66 0.00 0.00 56.10 58.40 3i3b s TRP 717 Cb -0.00 0.60 0.10 0.00 -3.10 0.00 0.00 33.47 31.07 3i3b s TRP 717 CO 0.00 -1.03 0.87 -1.14 -2.66 0.00 0.00 176.95 173.00 3i3b s GLN 718 N -3.84 0.80 0.13 3.25 2.00 -0.67 -5.00 119.66 116.33 3i3b s GLN 718 Ca 0.07 0.07 0.07 0.00 -2.00 0.00 0.00 55.36 53.57 3i3b s GLN 718 Cb -0.03 0.37 -0.04 0.00 0.80 0.00 0.00 33.01 34.11 3i3b s GLN 718 CO -0.03 -0.27 -0.16 -0.65 -0.50 0.00 0.00 175.29 173.68 3i3b s GLN 719 N -1.60 1.11 -0.06 1.67 -0.21 -1.26 -1.57 119.66 117.73 3i3b s GLN 719 Ca -0.03 -1.28 -0.08 0.00 0.02 0.00 0.00 55.36 53.99 3i3b s GLN 719 Cb -0.00 -1.10 0.02 0.00 1.00 0.00 0.00 33.01 32.92 3i3b s GLN 719 CO 0.01 0.22 0.21 -1.58 -2.12 0.00 0.00 175.29 172.04 3i3b s TRP 720 N -1.97 -0.19 -0.01 0.91 0.51 -0.32 -4.99 118.94 112.88 3i3b s TRP 720 Ca 0.11 0.44 -0.28 0.00 -2.12 0.00 0.00 56.10 54.25 3i3b s TRP 720 Cb -0.06 0.06 -0.04 0.00 -0.81 0.00 0.00 33.47 32.63 3i3b s TRP 720 CO 0.04 -0.16 0.88 1.03 -0.51 0.00 0.00 176.95 178.24 3i3b s ARG 721 N -0.21 4.53 0.00 4.98 0.52 -1.26 -0.60 118.95 126.90 3i3b s ARG 721 Ca -0.03 1.23 0.00 0.00 -0.52 0.00 0.00 55.73 56.41 3i3b s ARG 721 Cb -0.03 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 32.00 3i3b s ARG 721 CO 0.01 0.02 0.00 1.28 0.02 0.00 0.00 175.30 176.63 3i3b n LEU 722 N 3.73 0.00 -4.74 2.53 4.77 -0.04 -4.91 117.00 118.34 3i3b n LEU 722 Ca 0.03 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.64 3i3b n LEU 722 Cb 0.51 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.65 3i3b n LEU 722 CO 0.50 0.00 0.92 0.00 -1.33 0.00 0.00 177.39 177.48 3i3b s ALA 723 N -2.81 2.53 0.01 -1.18 0.00 -1.26 -4.65 121.76 114.40 3i3b s ALA 723 Ca 0.00 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.22 3i3b s ALA 723 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 3i3b s ALA 723 CO 0.00 -1.47 -0.12 -2.00 0.00 0.00 0.00 175.76 172.17 3i3b s GLU 724 N -3.23 0.93 -0.31 0.00 2.12 -1.26 -0.89 118.70 116.07 3i3b s GLU 724 Ca 0.79 -0.56 0.02 0.00 0.36 0.00 0.00 54.97 55.58 3i3b s GLU 724 Cb -0.37 -0.91 0.09 0.00 0.26 0.00 0.00 34.13 33.20 3i3b s GLU 724 CO 0.41 0.24 0.04 -0.80 -0.54 0.00 0.00 175.26 174.61 3i3b s ASN 725 N -0.64 4.30 0.27 -1.70 -0.87 0.31 -4.97 114.94 111.64 3i3b s ASN 725 Ca 0.03 -1.75 -0.30 0.00 -1.57 0.00 0.00 52.86 49.27 3i3b s ASN 725 Cb -0.06 -1.25 -0.11 0.00 -0.02 0.00 0.00 41.25 39.81 3i3b s ASN 725 CO 0.00 -0.36 1.50 -0.76 -2.57 0.00 0.00 177.10 174.91 3i3b s LEU 726 N 1.27 4.37 -0.16 0.60 1.43 -1.26 -0.80 118.68 124.13 3i3b s LEU 726 Ca 0.07 2.78 -0.29 0.00 -1.03 0.00 0.00 54.13 55.66 3i3b s LEU 726 Cb -0.18 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 3i3b s LEU 726 CO -0.14 -0.79 1.38 -0.55 0.23 0.00 0.00 176.35 176.49 3i3b s SER 727 N 0.41 6.81 0.00 2.29 0.15 -1.26 -4.85 113.70 117.25 3i3b s SER 727 Ca 0.61 1.75 0.11 0.00 0.70 0.00 0.00 55.95 59.12 3i3b s SER 727 Cb -0.44 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.36 3i3b s SER 727 CO 0.45 -0.87 0.73 1.33 1.20 0.00 0.00 173.24 176.08 3i3b n VAL 728 N 5.57 0.00 -2.87 4.45 0.24 -1.26 -4.94 118.33 119.53 3i3b n VAL 728 Ca 0.15 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.34 61.61 3i3b n VAL 728 Cb 0.45 1.17 -0.04 0.00 -1.47 0.00 0.00 33.84 33.94 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 -1.33 4.60 0.11 3.34 -4.23 -1.26 -5.03 115.64 111.84 3i3b s THR 729 Ca 0.11 0.89 -0.29 0.00 -1.18 0.00 0.00 61.69 61.21 3i3b s THR 729 Cb 0.09 -4.33 -0.06 0.00 1.34 0.00 0.00 72.50 69.54 3i3b s THR 729 CO 0.24 -0.62 0.93 -0.76 -0.54 0.00 0.00 174.62 173.87 3i3b s LEU 730 N 3.44 4.51 0.99 4.79 1.43 -1.26 -5.03 118.68 127.55 3i3b s LEU 730 Ca 0.35 1.75 -0.13 0.00 -1.03 0.00 0.00 54.13 55.07 3i3b s LEU 730 Cb -0.12 -3.53 0.08 0.00 0.03 0.00 0.00 46.19 42.66 3i3b s LEU 730 CO 0.21 -0.03 0.50 -0.81 0.23 0.00 0.00 176.35 176.45 3i3b n PRO 731 N 2.65 -0.69 -2.12 1.29 -0.04 -1.26 -4.97 135.00 129.87 3i3b n PRO 731 Ca 0.01 -0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 62.98 3i3b n PRO 731 Cb 0.49 -1.93 0.01 0.00 -0.04 0.00 0.00 33.50 32.02 3i3b n PRO 731 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i3b s ALA 732 N -2.41 2.72 0.36 0.55 0.00 -1.26 -4.99 121.76 116.73 3i3b s ALA 732 Ca 0.59 0.49 -0.28 0.00 0.00 0.00 0.00 51.96 52.76 3i3b s ALA 732 Cb -0.20 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 3i3b s ALA 732 CO 0.66 -0.78 1.35 0.00 0.00 0.00 0.00 175.76 176.99 3i3b s ALA 733 N -2.29 3.47 0.82 0.00 0.00 -1.26 -4.99 121.76 117.51 3i3b s ALA 733 Ca 0.66 1.33 -0.11 0.00 0.00 0.00 0.00 51.96 53.84 3i3b s ALA 733 Cb -0.17 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.52 3i3b s ALA 733 CO 0.34 -0.78 1.09 -1.54 0.00 0.00 0.00 175.76 174.87 3i3b s SER 734 N -0.45 4.21 -0.18 0.00 1.04 -1.26 -5.01 113.70 112.06 3i3b s SER 734 Ca 0.51 1.56 -0.24 0.00 0.48 0.00 0.00 55.95 58.26 3i3b s SER 734 Cb -0.41 -2.28 -0.22 0.00 0.10 0.00 0.00 66.02 63.21 3i3b s SER 734 CO 0.55 -2.18 0.45 0.45 0.98 0.00 0.00 173.24 173.48 3i3b h HIS 735 N -1.23 0.02 -2.28 5.02 3.86 -1.94 -3.48 115.15 115.12 3i3b h HIS 735 Ca -0.47 -0.02 -0.49 0.00 -1.16 0.00 0.00 60.37 58.24 3i3b h HIS 735 Cb 1.26 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.70 3i3b h HIS 735 CO 0.50 1.30 -0.46 0.00 0.86 0.00 0.00 177.93 180.13 3i3b s ALA 736 N -2.31 3.85 -0.08 2.45 0.00 -1.26 -5.12 121.76 119.29 3i3b s ALA 736 Ca -0.25 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.49 3i3b s ALA 736 Cb 0.02 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 3i3b s ALA 736 CO 0.64 0.31 -0.11 0.42 0.00 0.00 0.00 175.76 177.02 3i3b s ILE 737 N -1.96 3.33 0.50 0.00 1.01 -1.26 -4.01 121.20 118.81 3i3b s ILE 737 Ca 0.34 -0.60 -0.22 0.00 0.00 0.00 0.00 60.65 60.16 3i3b s ILE 737 Cb -0.09 -2.36 -0.06 0.00 0.01 0.00 0.00 42.46 39.96 3i3b s ILE 737 CO 0.28 0.57 1.28 -2.84 0.00 0.00 0.00 174.94 174.23 3i3b s PRO 738 N -0.45 3.44 -0.14 2.79 0.02 -1.26 -4.90 135.00 134.50 3i3b s PRO 738 Ca 0.06 2.05 -0.01 0.00 0.02 0.00 0.00 61.00 63.12 3i3b s PRO 738 Cb -0.12 -2.35 -0.02 0.00 0.02 0.00 0.00 34.50 32.03 3i3b s PRO 738 CO 0.02 -0.89 -0.11 -1.58 -0.33 0.00 0.00 177.00 174.11 3i3b s HIS 739 N -1.39 2.86 -0.05 6.54 2.46 0.94 -4.76 115.29 121.89 3i3b s HIS 739 Ca 0.67 -0.60 -0.14 0.00 0.47 0.00 0.00 55.06 55.47 3i3b s HIS 739 Cb -0.36 -1.88 -0.05 0.00 -0.13 0.00 0.00 32.58 30.16 3i3b s HIS 739 CO 0.43 -0.20 0.37 -1.17 -2.47 0.00 0.00 174.74 171.70 3i3b s LEU 740 N 0.42 4.41 -0.40 8.88 2.96 -1.26 -0.04 118.68 133.65 3i3b s LEU 740 Ca -0.09 0.82 0.02 0.00 -0.22 0.00 0.00 54.13 54.67 3i3b s LEU 740 Cb -0.15 -2.51 0.12 0.00 0.50 0.00 0.00 46.19 44.15 3i3b s LEU 740 CO 0.05 0.27 0.17 -0.89 -1.32 0.00 0.00 176.35 174.62 3i3b s THR 741 N -0.66 1.70 -0.22 3.68 2.01 0.85 -4.98 115.64 118.02 3i3b s THR 741 Ca 0.22 -2.39 -0.29 0.00 0.31 0.00 0.00 61.69 59.53 3i3b s THR 741 Cb -0.15 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.14 3i3b s THR 741 CO 0.11 -0.76 1.08 -0.89 -0.69 0.00 0.00 174.62 173.46 3i3b s THR 742 N 0.63 4.61 0.45 -0.82 2.01 -1.26 -2.12 115.64 119.13 3i3b s THR 742 Ca 0.14 1.94 0.03 0.00 0.31 0.00 0.00 61.69 64.11 3i3b s THR 742 Cb -0.22 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 3i3b s THR 742 CO -0.07 -0.17 0.04 -0.94 -0.69 0.00 0.00 174.62 172.79 3i3b s SER 743 N 1.34 3.54 0.17 3.53 1.04 0.05 -5.03 113.70 118.35 3i3b s SER 743 Ca 0.46 -1.58 -0.12 0.00 0.48 0.00 0.00 55.95 55.19 3i3b s SER 743 Cb -0.16 0.30 0.07 0.00 0.10 0.00 0.00 66.02 66.33 3i3b s SER 743 CO 0.08 -0.78 1.72 -0.33 0.98 0.00 0.00 173.24 174.91 3i3b h GLU 744 N 1.62 0.88 -0.01 4.02 4.39 -2.03 -3.28 114.58 120.17 3i3b h GLU 744 Ca -0.41 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.12 3i3b h GLU 744 Cb 1.28 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3i3b h GLU 744 CO 0.70 0.76 -0.30 -1.33 -1.16 0.00 0.00 179.01 177.68 3i3b n MET 745 N -4.46 1.65 -3.81 2.33 2.81 -1.26 -4.87 117.12 109.50 3i3b n MET 745 Ca 0.03 -0.87 -0.10 0.00 -1.81 0.00 0.00 57.70 54.96 3i3b n MET 745 Cb 0.17 -1.28 -0.07 0.00 -0.71 0.00 0.00 33.22 31.33 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 -1.85 0.02 -0.31 7.83 1.01 -1.24 -1.23 116.67 120.91 3i3b s ASP 746 Ca 0.14 -0.46 0.03 0.00 0.71 0.00 0.00 52.55 52.97 3i3b s ASP 746 Cb 0.13 0.34 0.08 0.00 1.01 0.00 0.00 42.92 44.48 3i3b s ASP 746 CO 0.39 -0.67 -0.01 -0.36 0.21 0.00 0.00 175.17 174.72 3i3b s PHE 747 N -3.27 3.54 -0.19 4.23 0.08 -0.52 -0.77 117.98 121.07 3i3b s PHE 747 Ca 0.00 -2.67 -0.07 0.00 0.12 0.00 0.00 56.93 54.32 3i3b s PHE 747 Cb 0.02 -2.49 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 3i3b s PHE 747 CO -0.08 -0.92 0.04 0.00 -0.10 0.00 0.00 175.22 174.17 3i3b s ILE 749 N 0.65 4.56 -0.08 0.00 1.09 -0.33 -0.10 121.20 126.99 3i3b s ILE 749 Ca 0.02 -0.11 0.04 0.00 -1.10 0.00 0.00 60.65 59.50 3i3b s ILE 749 Cb -0.13 -3.06 -0.01 0.00 -1.06 0.00 0.00 42.46 38.19 3i3b s ILE 749 CO 0.02 0.44 -0.21 -1.61 -0.10 0.00 0.00 174.94 173.48 3i3b s GLU 750 N 0.58 2.81 -0.39 2.79 0.41 0.95 -1.27 118.70 124.58 3i3b s GLU 750 Ca 0.02 -0.84 0.05 0.00 -0.41 0.00 0.00 54.97 53.79 3i3b s GLU 750 Cb -0.13 -2.30 0.17 0.00 -1.78 0.00 0.00 34.13 30.08 3i3b s GLU 750 CO 0.01 0.33 0.47 -1.17 -0.49 0.00 0.00 175.26 174.42 3i3b s LEU 751 N -0.02 -0.55 0.00 1.80 2.96 -0.77 -0.04 118.68 122.05 3i3b s LEU 751 Ca -0.07 -1.38 0.00 0.00 -0.22 0.00 0.00 54.13 52.47 3i3b s LEU 751 Cb -0.15 1.05 0.00 0.00 0.50 0.00 0.00 46.19 47.59 3i3b s LEU 751 CO 0.05 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 3i3b n GLY 752 N 4.20 2.80 0.54 7.98 0.00 -1.26 -2.50 105.19 116.95 3i3b n GLY 752 Ca 0.12 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 9.04 1.88 -4.86 1.61 6.94 -1.26 -4.92 115.26 123.68 3i3b n ASN 753 Ca 0.00 -1.47 -0.33 0.00 -0.02 0.00 0.00 54.58 52.75 3i3b n ASN 753 Cb 0.00 0.15 -0.06 0.00 -2.36 0.00 0.00 39.78 37.51 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 -2.24 3.31 -0.09 -3.83 1.02 -1.04 0.12 119.74 117.00 3i3b s LYS 754 Ca 0.27 -0.37 -0.06 0.00 0.02 0.00 0.00 55.97 55.83 3i3b s LYS 754 Cb 0.20 -3.02 0.03 0.00 -0.52 0.00 0.00 37.83 34.52 3i3b s LYS 754 CO 0.43 0.67 0.21 0.50 -0.92 0.00 0.00 175.35 176.23 3i3b s ARG 755 N -1.87 0.20 -0.17 1.68 3.52 0.26 -1.85 118.95 120.71 3i3b s ARG 755 Ca 0.26 0.39 -0.01 0.00 -0.13 0.00 0.00 55.73 56.24 3i3b s ARG 755 Cb -0.12 -0.03 -0.00 0.00 -1.56 0.00 0.00 34.95 33.23 3i3b s ARG 755 CO 0.17 -0.11 -0.13 -1.58 -0.81 0.00 0.00 175.30 172.84 3i3b s TRP 756 N 0.76 2.83 -0.29 5.12 0.51 -0.39 -0.56 118.94 126.92 3i3b s TRP 756 Ca -0.05 -1.09 -0.05 0.00 -2.12 0.00 0.00 56.10 52.79 3i3b s TRP 756 Cb -0.07 -1.95 0.02 0.00 -0.81 0.00 0.00 33.47 30.67 3i3b s TRP 756 CO -0.04 -0.53 0.03 -1.14 -0.51 0.00 0.00 176.95 174.76 3i3b s GLN 757 N 1.04 2.85 -0.24 4.98 0.74 0.05 -1.18 119.66 127.90 3i3b s GLN 757 Ca -0.01 -1.00 -0.08 0.00 0.05 0.00 0.00 55.36 54.32 3i3b s GLN 757 Cb -0.15 -3.25 -0.04 0.00 1.10 0.00 0.00 33.01 30.68 3i3b s GLN 757 CO -0.03 -0.49 0.10 -0.06 -0.55 0.00 0.00 175.29 174.26 3i3b s PHE 758 N 1.40 3.16 -0.11 1.67 0.40 -0.85 -1.03 117.98 122.62 3i3b s PHE 758 Ca 0.00 -0.16 -0.30 0.00 -0.60 0.00 0.00 56.93 55.87 3i3b s PHE 758 Cb -0.18 -2.23 -0.01 0.00 0.51 0.00 0.00 43.02 41.11 3i3b s PHE 758 CO 0.00 -0.18 1.06 1.21 0.70 0.00 0.00 175.22 178.02 3i3b s ASN 759 N 1.32 7.17 0.05 1.36 3.84 -0.15 -1.44 114.94 127.09 3i3b s ASN 759 Ca 0.05 1.57 0.25 0.00 0.21 0.00 0.00 52.86 54.95 3i3b s ASN 759 Cb -0.15 -2.55 1.01 0.00 -0.55 0.00 0.00 41.25 39.01 3i3b s ASN 759 CO 0.05 -0.52 1.78 0.54 -2.79 0.00 0.00 177.10 176.15 3i3b n ARG 760 N 5.29 0.05 -0.02 0.43 1.74 -0.37 0.53 116.66 124.32 3i3b n ARG 760 Ca 0.10 0.12 -0.22 0.00 -0.77 0.00 0.00 57.85 57.08 3i3b n ARG 760 Cb 0.48 -1.57 -0.13 0.00 -1.02 0.00 0.00 32.46 30.21 3i3b n ARG 760 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3i3b h GLN 761 N 0.00 0.21 0.01 5.56 4.15 -1.92 -3.38 115.11 119.74 3i3b h GLN 761 Ca 0.00 -0.36 -0.28 0.00 0.77 0.00 0.00 58.65 58.78 3i3b h GLN 761 Cb 0.46 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 3i3b h GLN 761 CO 0.00 1.17 -1.58 0.66 -1.93 0.00 0.00 178.83 177.15 3i3b h SER 762 N -0.21 0.04 -0.20 -0.69 4.64 -1.94 -3.44 113.55 111.74 3i3b h SER 762 Ca -0.39 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 60.80 3i3b h SER 762 Cb 1.85 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.91 3i3b h SER 762 CO 0.02 1.06 -0.05 0.61 -0.87 0.00 0.00 176.83 177.60 3i3b n GLY 763 N 1.54 0.46 3.39 -0.77 0.00 0.19 -4.70 105.19 105.30 3i3b n GLY 763 Ca -0.14 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.10 2.16 -0.54 1.61 0.08 -1.18 -4.92 117.98 113.09 3i3b s PHE 764 Ca 0.00 -0.39 -0.28 0.00 0.12 0.00 0.00 56.93 56.38 3i3b s PHE 764 Cb 0.00 -1.10 0.00 0.00 -0.57 0.00 0.00 43.02 41.35 3i3b s PHE 764 CO 0.00 0.41 1.54 -1.17 -0.10 0.00 0.00 175.22 175.89 3i3b s LEU 765 N -2.48 3.40 0.23 -0.37 2.96 -1.26 -0.97 118.68 120.18 3i3b s LEU 765 Ca 0.17 0.42 0.23 0.00 -0.22 0.00 0.00 54.13 54.73 3i3b s LEU 765 Cb -0.08 -3.02 0.12 0.00 0.50 0.00 0.00 46.19 43.71 3i3b s LEU 765 CO 0.08 -1.82 1.19 0.77 -1.32 0.00 0.00 176.35 175.25 3i3b h SER 766 N 11.93 0.00 -4.76 3.68 4.64 -1.44 -2.13 113.55 125.47 3i3b h SER 766 Ca -0.27 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.02 3i3b h SER 766 Cb 1.11 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.03 3i3b h SER 766 CO 1.17 0.02 0.32 -1.58 -0.87 0.00 0.00 176.83 175.88 3i3b s GLN 767 N -3.31 0.98 -0.01 4.77 2.00 -1.10 -4.38 119.66 118.61 3i3b s GLN 767 Ca 0.02 -0.03 0.01 0.00 -2.00 0.00 0.00 55.36 53.35 3i3b s GLN 767 Cb 0.09 0.46 0.01 0.00 0.80 0.00 0.00 33.01 34.37 3i3b s GLN 767 CO 0.76 -0.36 -0.01 -1.64 -0.50 0.00 0.00 175.29 173.54 3i3b s MET 768 N -2.12 0.20 -0.06 1.67 -1.94 -1.26 -0.77 119.30 115.02 3i3b s MET 768 Ca -0.04 -0.01 0.05 0.00 -1.71 0.00 0.00 55.69 53.99 3i3b s MET 768 Cb -0.00 -0.28 -0.01 0.00 2.01 0.00 0.00 34.83 36.55 3i3b s MET 768 CO -0.00 -0.03 -0.22 -1.58 -0.01 0.00 0.00 175.02 173.18 3i3b s TRP 769 N 0.37 2.16 -0.47 -0.03 0.51 0.28 0.81 118.94 122.58 3i3b s TRP 769 Ca -0.03 -0.68 0.04 0.00 -2.12 0.00 0.00 56.10 53.31 3i3b s TRP 769 Cb -0.06 -1.44 0.12 0.00 -0.81 0.00 0.00 33.47 31.29 3i3b s TRP 769 CO -0.01 -0.23 0.20 0.42 -0.51 0.00 0.00 176.95 176.82 3i3b s ILE 770 N 0.00 2.52 0.00 2.03 1.01 -1.03 -0.57 121.20 125.16 3i3b s ILE 770 Ca -0.06 -3.02 0.00 0.00 0.00 0.00 0.00 60.65 57.57 3i3b s ILE 770 Cb -0.14 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.55 3i3b s ILE 770 CO 0.04 -0.74 0.00 0.61 0.00 0.00 0.00 174.94 174.85 3i3b n GLY 771 N 3.46 1.13 0.98 6.18 0.00 0.32 -3.06 105.19 114.21 3i3b n GLY 771 Ca 0.05 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 6.90 3.25 -4.62 1.61 5.68 -1.26 -4.92 116.55 123.19 3i3b n ASP 772 Ca 0.00 -1.93 -0.39 0.00 -0.50 0.00 0.00 54.79 51.97 3i3b n ASP 772 Cb 0.00 -0.26 -0.09 0.00 -1.14 0.00 0.00 41.12 39.63 3i3b n ASP 772 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3i3b s LYS 773 N -1.19 4.04 0.28 0.11 2.36 -1.17 -5.05 119.74 119.11 3i3b s LYS 773 Ca 0.34 0.05 -0.29 0.00 -2.55 0.00 0.00 55.97 53.51 3i3b s LYS 773 Cb 0.19 -3.63 -0.10 0.00 -1.05 0.00 0.00 37.83 33.24 3i3b s LYS 773 CO 0.26 -0.23 1.29 -1.59 1.55 0.00 0.00 175.35 176.63 3i3b s LYS 774 N 1.92 4.39 -0.09 4.03 -2.85 -1.26 -2.46 119.74 123.42 3i3b s LYS 774 Ca 0.15 2.13 0.20 0.00 -1.00 0.00 0.00 55.97 57.45 3i3b s LYS 774 Cb -0.16 -3.12 -0.30 0.00 -2.06 0.00 0.00 37.83 32.19 3i3b s LYS 774 CO 0.09 -0.18 0.33 1.04 0.10 0.00 0.00 175.35 176.74 3i3b n GLN 775 N 1.50 0.67 -4.42 1.78 1.13 0.24 -4.76 117.38 113.52 3i3b n GLN 775 Ca 0.02 -0.12 -0.30 0.00 -1.94 0.00 0.00 57.00 54.67 3i3b n GLN 775 Cb 0.42 -1.53 -0.12 0.00 0.11 0.00 0.00 30.24 29.12 3i3b n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3i3b s LEU 776 N -4.92 2.59 -0.08 1.08 1.43 -1.26 -0.46 118.68 117.06 3i3b s LEU 776 Ca -0.09 -0.57 0.12 0.00 -1.03 0.00 0.00 54.13 52.57 3i3b s LEU 776 Cb 0.11 -1.47 -0.18 0.00 0.03 0.00 0.00 46.19 44.68 3i3b s LEU 776 CO 0.88 0.20 0.16 0.18 0.23 0.00 0.00 176.35 177.99 3i3b n LEU 777 N 1.01 0.00 -3.92 1.79 4.77 0.15 -4.63 117.00 116.17 3i3b n LEU 777 Ca -0.16 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.69 3i3b n LEU 777 Cb 0.53 0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 41.65 3i3b n LEU 777 CO 0.27 0.17 -0.37 -0.89 -1.33 0.00 0.00 177.39 175.23 3i3b s THR 778 N -2.58 0.15 0.65 -5.08 2.01 -1.08 -4.95 115.64 104.76 3i3b s THR 778 Ca -0.06 -0.22 -0.18 0.00 0.31 0.00 0.00 61.69 61.55 3i3b s THR 778 Cb 0.06 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 72.40 3i3b s THR 778 CO 0.53 -0.04 1.29 -2.84 -0.69 0.00 0.00 174.62 172.87 3i3b s PRO 779 N -0.27 2.55 -0.50 4.92 0.02 -1.26 -3.54 135.00 136.92 3i3b s PRO 779 Ca -0.02 2.05 -0.29 0.00 0.02 0.00 0.00 61.00 62.76 3i3b s PRO 779 Cb -0.02 -1.85 0.03 0.00 0.02 0.00 0.00 34.50 32.68 3i3b s PRO 779 CO -0.00 -1.59 1.21 -1.17 -0.33 0.00 0.00 177.00 175.12 3i3b s LEU 780 N -4.38 3.56 0.22 -5.54 2.96 -0.80 -4.52 118.68 110.18 3i3b s LEU 780 Ca 0.82 0.42 0.05 0.00 -0.22 0.00 0.00 54.13 55.20 3i3b s LEU 780 Cb -0.37 -3.42 -0.05 0.00 0.50 0.00 0.00 46.19 42.85 3i3b s LEU 780 CO 0.40 -1.37 -0.07 -0.13 -1.32 0.00 0.00 176.35 173.85 3i3b s ARG 781 N 4.74 1.33 0.65 1.98 0.52 -0.64 -4.21 118.95 123.31 3i3b s ARG 781 Ca 0.49 -1.63 -0.15 0.00 -0.52 0.00 0.00 55.73 53.92 3i3b s ARG 781 Cb -0.08 -0.87 -0.00 0.00 0.52 0.00 0.00 34.95 34.51 3i3b s ARG 781 CO 0.30 0.04 1.10 -0.51 0.02 0.00 0.00 175.30 176.25 3i3b s ASP 782 N -3.31 5.20 -0.06 0.23 1.11 -1.26 -0.45 116.67 118.12 3i3b s ASP 782 Ca 0.25 1.97 -0.02 0.00 0.18 0.00 0.00 52.55 54.92 3i3b s ASP 782 Cb 0.03 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.51 3i3b s ASP 782 CO 0.07 -1.57 0.13 -1.58 1.18 0.00 0.00 175.17 173.40 3i3b s GLN 783 N -4.10 0.05 -0.01 8.23 0.74 -0.19 -4.75 119.66 119.62 3i3b s GLN 783 Ca 0.66 0.38 0.02 0.00 0.05 0.00 0.00 55.36 56.47 3i3b s GLN 783 Cb -0.20 -0.22 0.03 0.00 1.10 0.00 0.00 33.01 33.72 3i3b s GLN 783 CO 0.41 -0.20 1.02 1.19 -0.55 0.00 0.00 175.29 177.16 3i3b n PHE 784 N 4.45 0.00 -4.39 1.67 3.72 -1.26 -2.59 117.46 119.06 3i3b n PHE 784 Ca -0.22 -0.55 -0.19 0.00 -0.05 0.00 0.00 57.45 56.44 3i3b n PHE 784 Cb 0.51 -0.06 -0.10 0.00 -0.94 0.00 0.00 39.48 38.89 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 -1.19 0.92 0.03 4.37 -4.23 -1.26 -3.08 115.64 111.20 3i3b s THR 785 Ca 0.03 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.45 3i3b s THR 785 Cb 0.03 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.16 3i3b s THR 785 CO 0.00 -0.01 0.18 0.00 -0.54 0.00 0.00 174.62 174.25 3i3b s ARG 786 N -3.95 0.64 -0.15 3.99 1.70 -1.26 -4.76 118.95 115.15 3i3b s ARG 786 Ca 0.37 -0.55 -0.29 0.00 -0.47 0.00 0.00 55.73 54.79 3i3b s ARG 786 Cb 0.08 0.26 -0.05 0.00 -0.57 0.00 0.00 34.95 34.68 3i3b s ARG 786 CO 0.14 -0.17 1.92 0.00 -1.08 0.00 0.00 175.30 176.11 3i3b s ALA 787 N -2.19 3.15 0.08 7.88 0.00 -1.26 -4.86 121.76 124.56 3i3b s ALA 787 Ca -0.08 0.80 -0.36 0.00 0.00 0.00 0.00 51.96 52.31 3i3b s ALA 787 Cb -0.03 -3.93 -0.16 0.00 0.00 0.00 0.00 23.12 19.00 3i3b s ALA 787 CO -0.02 -2.16 1.42 -0.35 0.00 0.00 0.00 175.76 174.65 3i3b n PRO 788 N 8.03 1.36 -1.91 0.00 -0.04 -1.26 -1.09 135.00 140.09 3i3b n PRO 788 Ca 0.23 0.49 -0.29 0.00 -0.04 0.00 0.00 63.50 63.89 3i3b n PRO 788 Cb 0.44 -2.16 0.08 0.00 -0.04 0.00 0.00 33.50 31.82 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 0.80 2.58 0.25 1.53 1.43 -1.26 -4.61 118.68 119.41 3i3b s LEU 789 Ca 0.84 0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 54.73 3i3b s LEU 789 Cb -0.90 -3.38 0.39 0.00 0.03 0.00 0.00 46.19 42.33 3i3b s LEU 789 CO 0.46 -1.80 1.82 0.44 0.23 0.00 0.00 176.35 177.51 3i3b h ASP 790 N -0.97 0.72 0.63 2.29 3.45 -1.87 -0.51 116.42 120.16 3i3b h ASP 790 Ca -0.46 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.03 3i3b h ASP 790 Cb 1.32 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.98 3i3b h ASP 790 CO 0.65 0.42 -0.08 0.78 -1.57 0.00 0.00 179.24 179.44 3i3b h ASN 791 N 0.84 0.00 0.21 6.45 2.35 -1.86 0.35 115.58 123.93 3i3b h ASN 791 Ca 0.40 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.86 3i3b h ASN 791 Cb 0.33 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.73 3i3b h ASN 791 CO -0.23 0.08 -1.20 0.44 -1.65 0.00 0.00 177.43 174.87 3i3b h ASP 792 N 0.00 0.78 -0.26 5.81 3.32 -1.42 -3.29 116.42 121.36 3i3b h ASP 792 Ca -0.00 -0.72 -0.16 0.00 0.02 0.00 0.00 57.03 56.17 3i3b h ASP 792 Cb 0.42 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3i3b h ASP 792 CO 0.01 1.53 -0.46 0.40 -1.72 0.00 0.00 179.24 179.00 3i3b h ILE 793 N 0.25 1.30 -6.13 0.35 2.04 -1.03 -1.93 117.51 112.36 3i3b h ILE 793 Ca -0.17 -1.66 -0.42 0.00 1.00 0.00 0.00 64.86 63.62 3i3b h ILE 793 Cb 1.88 1.71 0.06 0.00 -0.74 0.00 0.00 36.82 39.72 3i3b h ILE 793 CO 0.22 0.53 -0.87 0.61 0.00 0.00 0.00 178.15 178.64 3i3b n GLY 794 N 0.36 -0.57 2.92 5.37 0.00 0.08 -4.83 105.19 108.52 3i3b n GLY 794 Ca -0.05 0.27 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.63 0.68 -2.48 1.61 -7.23 -1.13 -4.29 120.40 103.93 3i3b s VAL 795 Ca 0.18 -0.19 0.25 0.00 -1.81 0.00 0.00 61.98 60.41 3i3b s VAL 795 Cb -0.06 -0.68 0.22 0.00 0.56 0.00 0.00 36.38 36.42 3i3b s VAL 795 CO 0.83 0.26 1.35 -1.54 -0.31 0.00 0.00 175.10 175.69 3i3b n SER 796 N 4.09 2.19 -3.69 4.85 3.41 -1.26 -4.79 113.62 118.41 3i3b n SER 796 Ca -0.23 -1.63 -0.19 0.00 -0.26 0.00 0.00 58.87 56.57 3i3b n SER 796 Cb 0.51 0.15 -0.17 0.00 -0.26 0.00 0.00 64.21 64.43 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 -2.20 -0.07 0.52 4.33 2.02 -1.26 -4.81 118.70 117.23 3i3b s GLU 797 Ca 0.27 0.34 0.16 0.00 0.02 0.00 0.00 54.97 55.76 3i3b s GLU 797 Cb 0.20 -0.44 1.28 0.00 0.10 0.00 0.00 34.13 35.26 3i3b s GLU 797 CO 0.41 -0.29 2.15 0.00 0.02 0.00 0.00 175.26 177.55 3i3b h ALA 798 N 8.16 2.00 0.00 5.21 0.00 -1.81 -2.38 119.26 130.45 3i3b h ALA 798 Ca -0.20 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3i3b h ALA 798 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3i3b h ALA 798 CO 0.23 -0.01 -0.44 1.15 0.00 0.00 0.00 179.25 180.18 3i3b h THR 799 N 0.00 1.09 -3.25 0.00 2.02 -1.96 -3.44 112.91 107.37 3i3b h THR 799 Ca 0.00 -1.65 -0.58 0.00 0.77 0.00 0.00 66.41 64.96 3i3b h THR 799 Cb 0.02 1.95 -0.05 0.00 -1.74 0.00 0.00 68.15 68.33 3i3b h THR 799 CO -0.00 0.43 -0.05 -0.13 0.37 0.00 0.00 175.52 176.14 3i3b s ARG 800 N -3.69 4.23 -0.35 6.66 0.52 -0.90 -5.05 118.95 120.37 3i3b s ARG 800 Ca -0.01 0.68 0.04 0.00 -0.52 0.00 0.00 55.73 55.92 3i3b s ARG 800 Cb 0.12 -3.29 0.10 0.00 0.52 0.00 0.00 34.95 32.40 3i3b s ARG 800 CO 0.71 0.50 0.06 0.42 0.02 0.00 0.00 175.30 177.01 3i3b s ILE 801 N -0.60 2.25 -0.35 1.52 1.01 -1.26 -4.86 121.20 118.91 3i3b s ILE 801 Ca 0.29 -2.36 -0.29 0.00 0.00 0.00 0.00 60.65 58.29 3i3b s ILE 801 Cb -0.18 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.64 3i3b s ILE 801 CO 0.17 -0.61 1.14 -0.62 0.00 0.00 0.00 174.94 175.02 3i3b s ASP 802 N 0.87 6.81 0.39 3.58 -1.08 -1.26 -4.90 116.67 121.08 3i3b s ASP 802 Ca 0.11 0.97 0.28 0.00 -0.52 0.00 0.00 52.55 53.40 3i3b s ASP 802 Cb -0.19 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 39.78 3i3b s ASP 802 CO -0.08 -1.01 1.82 1.55 0.52 0.00 0.00 175.17 177.97 3i3b h PRO 803 N 8.62 0.00 0.00 4.34 0.13 -1.98 -2.72 132.00 140.39 3i3b h PRO 803 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3i3b h PRO 803 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3i3b h PRO 803 CO 1.05 0.00 -0.35 -1.71 -0.23 0.00 0.00 178.00 176.77 3i3b n ASN 804 N -2.67 0.70 -4.77 1.44 2.85 -1.26 -4.03 115.26 107.52 3i3b n ASN 804 Ca 0.02 0.30 -0.40 0.00 -0.11 0.00 0.00 54.58 54.38 3i3b n ASN 804 Cb 0.31 -0.24 0.00 0.00 1.24 0.00 0.00 39.78 41.10 3i3b n ASN 804 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i3b s ALA 805 N -3.12 3.44 0.23 5.20 0.00 -1.03 -4.72 121.76 121.76 3i3b s ALA 805 Ca 0.09 1.49 -0.08 0.00 0.00 0.00 0.00 51.96 53.46 3i3b s ALA 805 Cb 0.13 -3.58 0.38 0.00 0.00 0.00 0.00 23.12 20.05 3i3b s ALA 805 CO 0.66 -1.05 1.66 -1.49 0.00 0.00 0.00 175.76 175.54 3i3b h TRP 806 N 2.79 0.03 -0.68 0.00 4.06 -1.83 -1.27 115.95 119.05 3i3b h TRP 806 Ca -0.51 0.05 0.01 0.00 2.06 0.00 0.00 58.89 60.50 3i3b h TRP 806 Cb 1.25 0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 29.47 3i3b h TRP 806 CO 0.52 -0.17 0.45 -0.24 -3.56 0.00 0.00 178.44 175.44 3i3b h VAL 807 N 0.15 1.17 -0.28 1.49 3.04 -1.68 0.03 116.25 120.16 3i3b h VAL 807 Ca 0.37 -0.32 -0.18 0.00 -1.01 0.00 0.00 66.70 65.56 3i3b h VAL 807 Cb 0.63 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 3i3b h VAL 807 CO -0.57 0.17 -0.53 -0.33 -1.01 0.00 0.00 177.57 175.30 3i3b h GLU 808 N 0.92 0.86 -0.62 4.17 4.39 -1.53 -0.80 114.58 121.96 3i3b h GLU 808 Ca 0.25 -0.55 -0.03 0.00 0.34 0.00 0.00 59.36 59.37 3i3b h GLU 808 Cb -0.10 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 3i3b h GLU 808 CO -0.05 1.18 0.28 0.00 -1.16 0.00 0.00 179.01 179.26 3i3b h ARG 809 N 0.64 0.91 -0.38 2.33 3.08 -0.85 0.21 114.38 120.33 3i3b h ARG 809 Ca 0.01 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3i3b h ARG 809 Cb 1.14 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 3i3b h ARG 809 CO 0.12 0.75 0.12 -1.49 -1.07 0.00 0.00 179.97 178.40 3i3b h TRP 810 N 0.86 0.60 -0.12 3.04 6.55 -0.90 -1.17 115.95 124.81 3i3b h TRP 810 Ca 0.21 -0.06 -0.00 0.00 0.95 0.00 0.00 58.89 59.99 3i3b h TRP 810 Cb 0.15 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.27 3i3b h TRP 810 CO 0.01 0.57 0.06 0.87 -1.05 0.00 0.00 178.44 178.90 3i3b h LYS 811 N 0.46 0.18 0.00 0.49 1.57 -0.85 -1.79 116.57 116.62 3i3b h LYS 811 Ca 0.12 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3i3b h LYS 811 Cb 0.25 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3i3b h LYS 811 CO -0.00 0.22 -0.10 0.00 -0.57 0.00 0.00 179.45 179.00 3i3b h ALA 812 N 0.95 1.69 0.00 3.86 0.00 -0.46 -1.23 119.26 124.08 3i3b h ALA 812 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i3b h ALA 812 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i3b h ALA 812 CO -0.01 0.12 -0.23 0.00 0.00 0.00 0.00 179.25 179.13 3i3b h ALA 813 N 1.90 0.85 0.00 0.00 0.00 -0.97 -3.47 119.26 117.57 3i3b h ALA 813 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i3b h ALA 813 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3i3b h ALA 813 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3i3b n GLY 814 N 1.31 0.73 0.36 0.00 0.00 -0.46 -4.85 105.19 102.28 3i3b n GLY 814 Ca 0.05 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 1.09 0.00 1.61 3.86 -1.57 0.84 115.15 120.99 3i3b h HIS 815 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3i3b h HIS 815 Cb 0.00 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.13 3i3b h HIS 815 CO 0.00 0.39 0.00 1.88 0.86 0.00 0.00 177.93 181.06 3i3b h TYR 816 N 0.91 0.00 0.00 2.45 0.05 -1.88 -3.30 116.97 115.21 3i3b h TYR 816 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.29 3i3b h TYR 816 Cb 0.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.34 3i3b h TYR 816 CO -0.00 0.00 -1.40 1.04 -1.05 0.00 0.00 178.16 176.75 3i3b n GLN 817 N -2.31 0.92 -1.43 4.88 6.02 -0.11 -5.04 117.38 120.30 3i3b n GLN 817 Ca 0.05 -0.10 -0.48 0.00 -0.01 0.00 0.00 57.00 56.47 3i3b n GLN 817 Cb 0.43 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 30.38 3i3b n GLN 817 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i3b n ALA 818 N -1.83 -2.46 -3.15 -1.58 0.00 0.27 -4.98 120.51 106.79 3i3b n ALA 818 Ca -0.01 0.44 -0.33 0.00 0.00 0.00 0.00 53.44 53.54 3i3b n ALA 818 Cb 0.32 -1.68 -0.15 0.00 0.00 0.00 0.00 19.45 17.94 3i3b n ALA 818 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i3b s GLU 819 N -1.05 3.28 0.10 0.00 2.02 -1.13 -4.92 118.70 116.99 3i3b s GLU 819 Ca 0.64 -0.74 -0.31 0.00 0.02 0.00 0.00 54.97 54.58 3i3b s GLU 819 Cb -0.90 -2.54 -0.07 0.00 0.10 0.00 0.00 34.13 30.72 3i3b s GLU 819 CO 0.57 0.19 1.28 0.00 0.02 0.00 0.00 175.26 177.31 3i3b s ALA 820 N 0.39 3.48 -0.16 5.21 0.00 -1.26 -2.92 121.76 126.50 3i3b s ALA 820 Ca -0.13 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.82 3i3b s ALA 820 Cb -0.16 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.49 3i3b s ALA 820 CO 0.06 -0.50 -0.19 0.00 0.00 0.00 0.00 175.76 175.12 3i3b s ALA 821 N 0.93 2.34 0.04 0.00 0.00 0.13 -4.94 121.76 120.26 3i3b s ALA 821 Ca 0.60 -1.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 3i3b s ALA 821 Cb -0.33 -1.13 -0.06 0.00 0.00 0.00 0.00 23.12 21.59 3i3b s ALA 821 CO 0.31 -0.18 1.44 -1.17 0.00 0.00 0.00 175.76 176.16 3i3b s LEU 822 N 1.04 4.34 -0.13 0.00 2.96 -1.26 -0.65 118.68 124.98 3i3b s LEU 822 Ca -0.01 2.22 0.13 0.00 -0.22 0.00 0.00 54.13 56.25 3i3b s LEU 822 Cb -0.14 -3.57 -0.18 0.00 0.50 0.00 0.00 46.19 42.80 3i3b s LEU 822 CO -0.06 -0.74 0.08 0.18 -1.32 0.00 0.00 176.35 174.49 3i3b n LEU 823 N 5.12 0.00 -3.59 -0.68 4.77 0.11 -4.93 117.00 117.79 3i3b n LEU 823 Ca 0.13 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 3i3b n LEU 823 Cb 0.43 0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.76 3i3b n LEU 823 CO 0.59 0.31 0.53 -1.58 -1.33 0.00 0.00 177.39 175.92 3i3b s GLN 824 N -2.41 0.81 -0.33 3.23 0.74 -1.05 -4.94 119.66 115.71 3i3b s GLN 824 Ca -0.07 0.61 0.05 0.00 0.05 0.00 0.00 55.36 56.00 3i3b s GLN 824 Cb 0.05 0.39 0.18 0.00 1.10 0.00 0.00 33.01 34.72 3i3b s GLN 824 CO 0.58 -0.17 0.52 0.00 -0.55 0.00 0.00 175.29 175.67 3i3b s THR 826 N 2.34 1.65 0.04 0.00 -4.23 -0.39 -4.99 115.64 110.06 3i3b s THR 826 Ca 0.12 -1.95 0.07 0.00 -1.18 0.00 0.00 61.69 58.75 3i3b s THR 826 Cb -0.10 -1.82 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 3i3b s THR 826 CO -0.20 -0.43 -0.21 0.00 -0.54 0.00 0.00 174.62 173.23 3i3b s ALA 827 N -2.37 1.80 0.00 3.99 0.00 -1.26 -0.65 121.76 123.28 3i3b s ALA 827 Ca 0.16 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 3i3b s ALA 827 Cb -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 3i3b s ALA 827 CO 0.05 0.41 0.03 -0.51 0.00 0.00 0.00 175.76 175.75 3i3b s ASP 828 N -1.10 0.10 -0.16 0.00 1.01 -0.04 -5.00 116.67 111.49 3i3b s ASP 828 Ca 0.08 -0.24 -0.05 0.00 0.71 0.00 0.00 52.55 53.05 3i3b s ASP 828 Cb -0.09 0.13 -0.03 0.00 1.01 0.00 0.00 42.92 43.93 3i3b s ASP 828 CO 0.01 -0.23 0.02 -0.89 0.21 0.00 0.00 175.17 174.29 3i3b s THR 829 N -0.97 4.38 0.53 -1.27 2.01 -1.26 0.26 115.64 119.33 3i3b s THR 829 Ca -0.11 -0.19 0.05 0.00 0.31 0.00 0.00 61.69 61.76 3i3b s THR 829 Cb -0.06 -2.93 0.05 0.00 0.01 0.00 0.00 72.50 69.56 3i3b s THR 829 CO -0.00 0.50 0.42 0.18 -0.69 0.00 0.00 174.62 175.03 3i3b n LEU 830 N 3.29 0.00 -0.34 4.42 4.77 0.20 -4.96 117.00 124.38 3i3b n LEU 830 Ca -0.17 -2.73 0.08 0.00 -0.03 0.00 0.00 56.01 53.16 3i3b n LEU 830 Cb 0.53 -0.07 0.27 0.00 -2.33 0.00 0.00 43.42 41.82 3i3b n LEU 830 CO 0.33 -0.58 1.23 0.00 -1.33 0.00 0.00 177.39 177.04 3i3b h ALA 831 N 0.64 1.59 0.00 -1.18 0.00 -2.02 -3.25 119.26 115.03 3i3b h ALA 831 Ca -0.33 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 3i3b h ALA 831 Cb 1.22 -0.19 -0.27 0.00 0.00 0.00 0.00 17.79 18.55 3i3b h ALA 831 CO 0.51 0.17 -0.86 -0.40 0.00 0.00 0.00 179.25 178.67 3i3b n ASP 832 N -4.60 0.91 -3.67 0.00 5.75 -1.26 -5.03 116.55 108.66 3i3b n ASP 832 Ca 0.18 -2.21 -0.01 0.00 -0.01 0.00 0.00 54.79 52.74 3i3b n ASP 832 Cb 0.38 -0.31 -0.01 0.00 -1.03 0.00 0.00 41.12 40.15 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 -0.38 -1.89 -0.16 2.12 0.00 -1.23 -2.39 121.76 117.82 3i3b s ALA 833 Ca 0.28 0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 3i3b s ALA 833 Cb 0.31 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 3i3b s ALA 833 CO -0.12 -1.05 -0.11 0.08 0.00 0.00 0.00 175.76 174.55 3i3b s VAL 834 N -2.82 3.01 -0.28 0.00 1.01 -0.64 0.61 120.40 121.30 3i3b s VAL 834 Ca 0.14 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 3i3b s VAL 834 Cb 0.01 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 3i3b s VAL 834 CO 0.00 0.49 0.08 -0.22 0.00 0.00 0.00 175.10 175.45 3i3b s LEU 835 N 0.82 3.70 -0.22 3.92 2.96 0.14 -1.88 118.68 128.12 3i3b s LEU 835 Ca -0.04 -0.52 -0.09 0.00 -0.22 0.00 0.00 54.13 53.25 3i3b s LEU 835 Cb -0.15 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 3i3b s LEU 835 CO 0.01 -0.14 0.12 -0.63 -1.32 0.00 0.00 176.35 174.39 3i3b s ILE 836 N 1.54 5.10 -0.15 6.68 -1.09 0.36 -0.86 121.20 132.79 3i3b s ILE 836 Ca 0.04 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 3i3b s ILE 836 Cb -0.16 -3.35 -0.00 0.00 -1.58 0.00 0.00 42.46 37.36 3i3b s ILE 836 CO 0.03 0.38 -0.15 -0.89 -1.23 0.00 0.00 174.94 173.08 3i3b s THR 837 N 0.87 2.72 0.16 2.92 2.01 0.18 -0.10 115.64 124.40 3i3b s THR 837 Ca 0.06 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.34 3i3b s THR 837 Cb -0.13 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 3i3b s THR 837 CO 0.03 0.52 -0.08 0.42 -0.69 0.00 0.00 174.62 174.82 3i3b s THR 838 N 0.71 1.10 -0.21 -0.82 -4.23 -0.19 -1.26 115.64 110.75 3i3b s THR 838 Ca -0.07 -2.05 -0.11 0.00 -1.18 0.00 0.00 61.69 58.28 3i3b s THR 838 Cb -0.16 -1.95 0.07 0.00 1.34 0.00 0.00 72.50 71.80 3i3b s THR 838 CO 0.01 -0.66 0.50 0.00 -0.54 0.00 0.00 174.62 173.94 3i3b s ALA 839 N -3.37 -1.34 0.02 3.99 0.00 -0.66 -0.73 121.76 119.67 3i3b s ALA 839 Ca 0.19 1.83 0.04 0.00 0.00 0.00 0.00 51.96 54.02 3i3b s ALA 839 Cb 0.03 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 3i3b s ALA 839 CO 0.02 -0.37 -0.12 -1.01 0.00 0.00 0.00 175.76 174.27 3i3b s HIS 840 N 1.65 1.09 -0.12 0.00 3.76 0.37 0.05 115.29 122.09 3i3b s HIS 840 Ca -0.09 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 3i3b s HIS 840 Cb -0.08 -0.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.93 3i3b s HIS 840 CO -0.15 0.01 -0.14 0.00 -0.85 0.00 0.00 174.74 173.60 3i3b s ALA 841 N -0.66 2.58 -0.28 -1.40 0.00 0.18 -0.37 121.76 121.81 3i3b s ALA 841 Ca 0.02 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 3i3b s ALA 841 Cb -0.07 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 3i3b s ALA 841 CO 0.01 0.27 0.14 -1.58 0.00 0.00 0.00 175.76 174.60 3i3b s TRP 842 N 0.28 3.16 0.15 0.00 0.51 0.20 0.21 118.94 123.45 3i3b s TRP 842 Ca -0.10 -0.23 0.07 0.00 -2.12 0.00 0.00 56.10 53.72 3i3b s TRP 842 Cb -0.16 -2.33 -0.04 0.00 -0.81 0.00 0.00 33.47 30.13 3i3b s TRP 842 CO 0.06 -0.30 -0.16 -0.65 -0.51 0.00 0.00 176.95 175.39 3i3b s GLN 843 N 1.68 1.18 -0.14 4.98 -0.21 -1.15 0.11 119.66 126.11 3i3b s GLN 843 Ca 0.06 -1.36 -0.04 0.00 0.02 0.00 0.00 55.36 54.04 3i3b s GLN 843 Cb -0.16 -1.13 0.05 0.00 1.00 0.00 0.00 33.01 32.77 3i3b s GLN 843 CO 0.07 0.22 0.08 -1.58 -2.12 0.00 0.00 175.29 171.97 3i3b s HIS 844 N -2.19 0.18 -1.33 0.91 5.65 0.59 -2.86 115.29 116.25 3i3b s HIS 844 Ca 0.14 -0.18 -0.06 0.00 0.25 0.00 0.00 55.06 55.21 3i3b s HIS 844 Cb -0.05 -0.65 -0.00 0.00 -1.18 0.00 0.00 32.58 30.70 3i3b s HIS 844 CO 0.05 -0.43 0.53 1.04 -0.65 0.00 0.00 174.74 175.28 3i3b n GLN 845 N 5.28 -2.87 0.00 2.88 6.02 -1.26 -1.10 117.38 126.33 3i3b n GLN 845 Ca -0.06 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 3i3b n GLN 845 Cb 0.49 -4.43 0.00 0.00 1.02 0.00 0.00 30.24 27.32 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 -1.89 2.76 3.63 1.08 0.00 -1.26 -5.01 105.19 104.50 3i3b n GLY 846 Ca -0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 3i3b n GLY 846 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i3b s LYS 847 N -0.28 4.10 -0.48 1.61 2.47 -0.26 -5.02 119.74 121.89 3i3b s LYS 847 Ca 0.00 0.33 -0.27 0.00 -1.56 0.00 0.00 55.97 54.46 3i3b s LYS 847 Cb 0.00 -3.62 0.03 0.00 -1.46 0.00 0.00 37.83 32.78 3i3b s LYS 847 CO 0.00 -0.28 1.06 0.99 0.16 0.00 0.00 175.35 177.28 3i3b s THR 848 N 2.06 4.29 -0.12 3.43 2.01 -1.26 -0.30 115.64 125.76 3i3b s THR 848 Ca 0.21 0.99 -0.16 0.00 0.31 0.00 0.00 61.69 63.05 3i3b s THR 848 Cb -0.16 -4.55 -0.14 0.00 0.01 0.00 0.00 72.50 67.66 3i3b s THR 848 CO 0.09 -0.98 0.44 -0.07 -0.69 0.00 0.00 174.62 173.42 3i3b h LEU 849 N 11.03 -0.01 -8.27 4.42 3.38 0.37 -3.42 115.31 122.81 3i3b h LEU 849 Ca -0.24 -0.52 -0.29 0.00 0.09 0.00 0.00 57.88 56.92 3i3b h LEU 849 Cb 1.07 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.62 3i3b h LEU 849 CO 1.09 0.74 -0.73 -0.36 0.09 0.00 0.00 178.44 179.27 3i3b s PHE 850 N -2.01 0.81 -0.08 1.13 0.08 -1.09 -1.87 117.98 114.94 3i3b s PHE 850 Ca -0.10 -0.57 0.01 0.00 0.12 0.00 0.00 56.93 56.39 3i3b s PHE 850 Cb -0.01 -0.47 0.02 0.00 -0.57 0.00 0.00 43.02 41.98 3i3b s PHE 850 CO 0.38 -0.07 -0.09 0.42 -0.10 0.00 0.00 175.22 175.76 3i3b s ILE 851 N -1.79 1.01 -0.18 0.64 1.01 -0.57 0.62 121.20 121.93 3i3b s ILE 851 Ca -0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 3i3b s ILE 851 Cb -0.07 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.42 3i3b s ILE 851 CO -0.00 0.35 -0.13 -0.55 0.00 0.00 0.00 174.94 174.60 3i3b s SER 852 N 1.19 3.72 -0.15 3.58 0.15 0.50 -0.68 113.70 122.01 3i3b s SER 852 Ca -0.05 -0.49 -0.01 0.00 0.70 0.00 0.00 55.95 56.10 3i3b s SER 852 Cb -0.14 -1.60 -0.01 0.00 -1.71 0.00 0.00 66.02 62.56 3i3b s SER 852 CO -0.02 0.03 -0.13 -0.13 1.20 0.00 0.00 173.24 174.19 3i3b s ARG 853 N 1.17 3.32 0.18 5.44 0.52 -0.59 -0.48 118.95 128.51 3i3b s ARG 853 Ca 0.01 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.54 3i3b s ARG 853 Cb -0.14 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.59 3i3b s ARG 853 CO -0.05 0.08 0.01 0.15 0.02 0.00 0.00 175.30 175.51 3i3b s LYS 854 N 0.69 1.12 -0.03 3.54 1.02 0.09 -1.31 119.74 124.86 3i3b s LYS 854 Ca -0.06 -1.55 -0.02 0.00 0.02 0.00 0.00 55.97 54.37 3i3b s LYS 854 Cb -0.15 -0.23 0.02 0.00 -0.52 0.00 0.00 37.83 36.95 3i3b s LYS 854 CO 0.02 -0.16 0.08 0.95 -0.92 0.00 0.00 175.35 175.32 3i3b s THR 855 N -3.70 -0.03 -0.18 2.17 -4.23 -0.91 -1.02 115.64 107.74 3i3b s THR 855 Ca 0.25 0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 3i3b s THR 855 Cb 0.06 -0.13 0.00 0.00 1.34 0.00 0.00 72.50 73.77 3i3b s THR 855 CO 0.05 0.05 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.73 3i3b s TYR 856 N 0.68 2.82 -0.31 3.99 1.51 0.86 -1.41 117.35 125.50 3i3b s TYR 856 Ca -0.05 -1.18 0.01 0.00 -1.01 0.00 0.00 57.07 54.84 3i3b s TYR 856 Cb -0.08 -1.95 0.07 0.00 -0.11 0.00 0.00 41.96 39.90 3i3b s TYR 856 CO -0.03 -0.58 -0.01 0.50 -1.11 0.00 0.00 175.55 174.33 3i3b s ARG 857 N 1.10 2.12 -0.43 -0.62 3.52 0.18 -0.49 118.95 124.34 3i3b s ARG 857 Ca 0.00 -1.48 -0.14 0.00 -0.13 0.00 0.00 55.73 53.98 3i3b s ARG 857 Cb -0.14 -3.13 0.05 0.00 -1.56 0.00 0.00 34.95 30.16 3i3b s ARG 857 CO -0.04 -0.72 0.32 0.42 -0.81 0.00 0.00 175.30 174.47 3i3b s ILE 858 N 1.12 5.04 0.72 4.11 1.01 -0.79 -0.75 121.20 131.65 3i3b s ILE 858 Ca -0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 3i3b s ILE 858 Cb -0.20 -3.91 0.12 0.00 0.01 0.00 0.00 42.46 38.48 3i3b s ILE 858 CO -0.04 -0.42 0.99 1.51 0.00 0.00 0.00 174.94 176.98 3i3b s ASP 859 N 2.06 4.38 0.53 3.58 1.47 -0.82 -1.62 116.67 126.23 3i3b s ASP 859 Ca 0.04 -0.26 0.35 0.00 1.18 0.00 0.00 52.55 53.86 3i3b s ASP 859 Cb -0.21 -0.16 1.76 0.00 -0.34 0.00 0.00 42.92 43.97 3i3b s ASP 859 CO 0.07 -1.84 2.07 1.23 0.68 0.00 0.00 175.17 177.38 3i3b h GLY 860 N -0.54 0.00 -0.10 2.12 0.00 -1.61 -1.99 103.07 100.96 3i3b h GLY 860 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3i3b h GLY 860 CO 0.42 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.82 3i3b n SER 861 N -2.83 0.88 0.00 0.19 3.41 -1.26 -4.46 113.62 109.55 3i3b n SER 861 Ca -0.01 -1.51 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 3i3b n SER 861 Cb 0.14 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 1.00 0.57 3.85 5.00 0.00 -0.75 -5.03 105.19 109.84 3i3b n GLY 862 Ca 0.16 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3i3b n GLY 862 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i3b s GLN 863 N -0.29 3.75 -0.35 1.61 -0.21 -1.26 -4.69 119.66 118.21 3i3b s GLN 863 Ca 0.00 0.21 -0.02 0.00 0.02 0.00 0.00 55.36 55.57 3i3b s GLN 863 Cb 0.00 -3.19 0.08 0.00 1.00 0.00 0.00 33.01 30.90 3i3b s GLN 863 CO 0.00 0.71 0.10 1.41 -2.12 0.00 0.00 175.29 175.39 3i3b s MET 864 N -1.15 2.21 -0.19 2.91 -2.45 -0.49 -1.95 119.30 118.18 3i3b s MET 864 Ca 0.22 -1.54 -0.24 0.00 -1.25 0.00 0.00 55.69 52.89 3i3b s MET 864 Cb -0.15 -3.39 -0.02 0.00 1.25 0.00 0.00 34.83 32.53 3i3b s MET 864 CO 0.11 -0.84 0.77 0.00 1.05 0.00 0.00 175.02 176.11 3i3b s ALA 865 N 1.20 3.55 -0.27 4.11 0.00 0.07 -1.31 121.76 129.11 3i3b s ALA 865 Ca 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 3i3b s ALA 865 Cb -0.21 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.77 3i3b s ALA 865 CO -0.02 -0.69 -0.00 0.42 0.00 0.00 0.00 175.76 175.47 3i3b s ILE 866 N 2.24 3.29 -0.21 0.00 1.01 0.22 -0.64 121.20 127.11 3i3b s ILE 866 Ca 0.35 -0.95 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 3i3b s ILE 866 Cb -0.16 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 3i3b s ILE 866 CO 0.11 0.11 0.07 -0.89 0.00 0.00 0.00 174.94 174.33 3i3b s THR 867 N 1.38 4.61 -0.06 2.92 2.01 -0.50 -0.30 115.64 125.70 3i3b s THR 867 Ca 0.00 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 61.96 3i3b s THR 867 Cb -0.17 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.23 3i3b s THR 867 CO -0.01 0.41 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.46 3i3b s VAL 868 N 0.84 1.54 -0.19 3.82 1.01 0.18 -2.14 120.40 125.45 3i3b s VAL 868 Ca 0.04 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 3i3b s VAL 868 Cb -0.14 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 34.96 3i3b s VAL 868 CO 0.02 0.44 -0.02 -1.81 0.00 0.00 0.00 175.10 173.74 3i3b s ASP 869 N 0.24 3.13 -0.03 3.32 1.01 -0.43 -1.40 116.67 122.51 3i3b s ASP 869 Ca -0.10 -0.86 0.01 0.00 0.71 0.00 0.00 52.55 52.32 3i3b s ASP 869 Cb -0.14 -0.85 -0.03 0.00 1.01 0.00 0.00 42.92 42.91 3i3b s ASP 869 CO 0.04 -0.25 -0.04 -0.69 0.21 0.00 0.00 175.17 174.44 3i3b s VAL 870 N 1.66 3.88 -0.13 -1.27 1.01 0.80 -1.54 120.40 124.81 3i3b s VAL 870 Ca -0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 3i3b s VAL 870 Cb -0.17 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3i3b s VAL 870 CO -0.07 0.49 -0.11 -1.61 0.00 0.00 0.00 175.10 173.79 3i3b s GLU 871 N -1.17 3.39 -0.18 2.72 2.02 0.14 -0.56 118.70 125.06 3i3b s GLU 871 Ca 0.16 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.50 3i3b s GLU 871 Cb -0.11 -2.68 0.02 0.00 0.10 0.00 0.00 34.13 31.46 3i3b s GLU 871 CO 0.05 0.25 -0.18 0.08 0.02 0.00 0.00 175.26 175.48 3i3b s VAL 872 N 0.28 2.21 0.00 2.63 1.01 0.19 -1.51 120.40 125.20 3i3b s VAL 872 Ca -0.08 -0.89 -0.36 0.00 0.00 0.00 0.00 61.98 60.65 3i3b s VAL 872 Cb -0.15 -1.93 -0.14 0.00 0.00 0.00 0.00 36.38 34.15 3i3b s VAL 872 CO 0.05 0.53 1.63 0.00 0.00 0.00 0.00 175.10 177.31 3i3b n ALA 873 N 4.58 0.42 0.32 5.51 0.00 -0.78 -4.63 120.51 125.92 3i3b n ALA 873 Ca -0.21 0.41 0.20 0.00 0.00 0.00 0.00 53.44 53.85 3i3b n ALA 873 Cb 0.50 -2.30 1.09 0.00 0.00 0.00 0.00 19.45 18.74 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 6.70 0.00 -0.31 0.00 4.64 -1.93 -2.20 113.55 120.45 3i3b h SER 874 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 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 0.89 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.96 3i3b n ASP 875 N -3.24 2.77 -4.89 4.97 5.75 -1.26 -4.89 116.55 115.76 3i3b n ASP 875 Ca -0.03 -1.90 -0.31 0.00 -0.01 0.00 0.00 54.79 52.55 3i3b n ASP 875 Cb 0.11 -0.20 -0.05 0.00 -1.03 0.00 0.00 41.12 39.96 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 -1.61 5.24 0.35 2.12 -1.32 -0.83 -5.04 115.64 114.55 3i3b s THR 876 Ca 0.36 -0.42 -0.28 0.00 -1.21 0.00 0.00 61.69 60.14 3i3b s THR 876 Cb 0.21 -3.53 -0.12 0.00 -1.51 0.00 0.00 72.50 67.55 3i3b s THR 876 CO 0.29 0.17 1.37 -0.81 -2.21 0.00 0.00 174.62 173.43 3i3b n PRO 877 N 0.44 2.32 -1.66 7.08 -0.04 -1.26 -4.84 135.00 137.05 3i3b n PRO 877 Ca -0.07 0.82 -0.48 0.00 -0.04 0.00 0.00 63.50 63.73 3i3b n PRO 877 Cb 0.51 -2.45 -0.05 0.00 -0.04 0.00 0.00 33.50 31.47 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 0.47 2.12 -1.98 0.54 8.25 -1.26 -4.92 115.22 118.44 3i3b n HIS 878 Ca 0.04 0.32 -0.36 0.00 -0.26 0.00 0.00 57.72 57.46 3i3b n HIS 878 Cb 0.37 -2.51 0.04 0.00 1.12 0.00 0.00 29.99 29.00 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 1.23 2.93 0.46 -0.41 0.04 -1.26 -4.88 135.00 133.11 3i3b s PRO 879 Ca 0.82 1.83 0.22 0.00 0.04 0.00 0.00 61.00 63.91 3i3b s PRO 879 Cb -0.75 -1.92 1.11 0.00 0.04 0.00 0.00 34.50 32.99 3i3b s PRO 879 CO 0.42 -1.24 1.95 0.00 0.04 0.00 0.00 177.00 178.17 3i3b h ALA 880 N 0.83 1.28 -2.32 8.56 0.00 -1.89 -3.42 119.26 122.30 3i3b h ALA 880 Ca -0.50 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.33 3i3b h ALA 880 Cb 1.30 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 3i3b h ALA 880 CO 0.55 0.27 0.48 -0.98 0.00 0.00 0.00 179.25 179.57 3i3b s ARG 881 N -4.11 0.92 -0.25 0.00 1.70 -1.23 -0.90 118.95 115.09 3i3b s ARG 881 Ca -0.02 -0.39 -0.03 0.00 -0.47 0.00 0.00 55.73 54.82 3i3b s ARG 881 Cb 0.13 0.39 0.08 0.00 -0.57 0.00 0.00 34.95 34.98 3i3b s ARG 881 CO 0.64 -0.41 0.08 0.42 -1.08 0.00 0.00 175.30 174.95 3i3b s ILE 882 N -3.18 0.45 0.00 4.99 1.01 -0.56 -4.09 121.20 119.81 3i3b s ILE 882 Ca 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.88 3i3b s ILE 882 Cb -0.01 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.28 3i3b s ILE 882 CO -0.07 -0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.00 3i3b n GLY 883 N 5.05 2.07 3.31 6.18 0.00 -1.07 -0.34 105.19 120.39 3i3b n GLY 883 Ca -0.06 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 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 2.51 0.05 0.99 1.43 0.10 -1.02 118.68 122.74 3i3b s LEU 884 Ca 0.00 -0.96 -0.13 0.00 -1.03 0.00 0.00 54.13 52.01 3i3b s LEU 884 Cb 0.00 -0.61 0.02 0.00 0.03 0.00 0.00 46.19 45.63 3i3b s LEU 884 CO 0.00 -0.18 0.28 0.54 0.23 0.00 0.00 176.35 177.22 3i3b s ASN 885 N -3.06 -0.08 0.11 2.29 4.22 0.40 -1.60 114.94 117.21 3i3b s ASN 885 Ca 0.18 -0.28 -0.26 0.00 -2.14 0.00 0.00 52.86 50.37 3i3b s ASN 885 Cb -0.01 0.35 0.07 0.00 1.28 0.00 0.00 41.25 42.94 3i3b s ASN 885 CO 0.05 -0.64 0.86 0.00 -2.04 0.00 0.00 177.10 175.33 3i3b s GLN 887 N -3.36 2.50 0.16 0.00 0.74 -1.23 -1.15 119.66 117.32 3i3b s GLN 887 Ca 0.08 -1.32 -0.30 0.00 0.05 0.00 0.00 55.36 53.86 3i3b s GLN 887 Cb -0.02 -3.47 -0.07 0.00 1.10 0.00 0.00 33.01 30.55 3i3b s GLN 887 CO -0.04 -0.75 1.11 -0.51 -0.55 0.00 0.00 175.29 174.55 3i3b s LEU 888 N 1.34 4.47 0.57 3.68 1.43 0.67 0.31 118.68 131.15 3i3b s LEU 888 Ca -0.00 2.08 0.35 0.00 -1.03 0.00 0.00 54.13 55.52 3i3b s LEU 888 Cb -0.21 -3.60 1.71 0.00 0.03 0.00 0.00 46.19 44.12 3i3b s LEU 888 CO 0.01 -0.26 2.13 0.00 0.23 0.00 0.00 176.35 178.45 3i3b h ALA 889 N 5.37 1.09 -2.34 4.21 0.00 -1.03 0.72 119.26 127.28 3i3b h ALA 889 Ca -0.44 -0.04 -0.50 0.00 0.00 0.00 0.00 54.91 53.93 3i3b h ALA 889 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3i3b h ALA 889 CO 0.74 0.06 0.05 -1.14 0.00 0.00 0.00 179.25 178.95 3i3b s GLN 890 N -3.98 3.72 -0.26 0.00 0.74 -1.26 -4.39 119.66 114.22 3i3b s GLN 890 Ca -0.02 0.32 -0.03 0.00 0.05 0.00 0.00 55.36 55.68 3i3b s GLN 890 Cb 0.12 -2.45 0.09 0.00 1.10 0.00 0.00 33.01 31.86 3i3b s GLN 890 CO 0.52 0.01 0.09 0.08 -0.55 0.00 0.00 175.29 175.44 3i3b s VAL 891 N -2.34 0.44 0.38 1.34 1.01 -1.26 -2.93 120.40 117.03 3i3b s VAL 891 Ca 0.49 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.66 3i3b s VAL 891 Cb -0.10 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 3i3b s VAL 891 CO 0.32 -0.53 0.40 0.00 0.00 0.00 0.00 175.10 175.30 3i3b s ALA 892 N 1.86 4.11 -0.11 5.51 0.00 -1.26 -5.05 121.76 126.82 3i3b s ALA 892 Ca 0.06 -1.70 0.16 0.00 0.00 0.00 0.00 51.96 50.48 3i3b s ALA 892 Cb -0.17 -1.30 -0.11 0.00 0.00 0.00 0.00 23.12 21.54 3i3b s ALA 892 CO -0.22 -0.13 0.94 0.93 0.00 0.00 0.00 175.76 177.28 3i3b h GLU 893 N 1.00 0.00 -6.23 0.00 5.08 -2.00 -3.43 114.58 109.00 3i3b h GLU 893 Ca -0.43 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.32 3i3b h GLU 893 Cb 1.26 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.37 3i3b h GLU 893 CO 0.55 0.38 -0.77 1.03 -1.00 0.00 0.00 179.01 179.20 3i3b s ARG 894 N -2.89 1.65 -0.07 2.33 1.81 -1.26 -0.58 118.95 119.94 3i3b s ARG 894 Ca -0.02 -1.74 0.00 0.00 -1.72 0.00 0.00 55.73 52.26 3i3b s ARG 894 Cb 0.08 -1.75 0.02 0.00 -0.45 0.00 0.00 34.95 32.85 3i3b s ARG 894 CO 0.80 0.33 -0.04 0.08 -0.68 0.00 0.00 175.30 175.79 3i3b s VAL 895 N -2.44 0.63 -0.07 3.52 1.01 -0.24 -4.54 120.40 118.28 3i3b s VAL 895 Ca 0.29 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.21 3i3b s VAL 895 Cb -0.05 -0.69 -0.00 0.00 0.00 0.00 0.00 36.38 35.64 3i3b s VAL 895 CO 0.14 0.28 -0.20 0.21 0.00 0.00 0.00 175.10 175.53 3i3b s ASN 896 N 1.41 2.56 0.01 3.32 3.84 -0.87 -1.51 114.94 123.70 3i3b s ASN 896 Ca -0.03 -0.44 -0.22 0.00 0.21 0.00 0.00 52.86 52.38 3i3b s ASN 896 Cb -0.13 -0.93 0.05 0.00 -0.55 0.00 0.00 41.25 39.68 3i3b s ASN 896 CO -0.03 0.15 0.49 -1.66 -2.79 0.00 0.00 177.10 173.26 3i3b s TRP 897 N 0.20 -0.40 -0.35 0.43 -2.14 -0.19 0.72 118.94 117.21 3i3b s TRP 897 Ca -0.10 0.55 -0.09 0.00 2.66 0.00 0.00 56.10 59.12 3i3b s TRP 897 Cb -0.15 0.28 0.03 0.00 -3.10 0.00 0.00 33.47 30.53 3i3b s TRP 897 CO 0.05 -0.56 0.16 -1.17 -2.66 0.00 0.00 176.95 172.77 3i3b s LEU 898 N -1.61 4.48 0.00 -4.66 2.96 0.18 -0.89 118.68 119.14 3i3b s LEU 898 Ca -0.09 -1.01 0.00 0.00 -0.22 0.00 0.00 54.13 52.81 3i3b s LEU 898 Cb -0.02 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.72 3i3b s LEU 898 CO 0.03 -0.34 0.00 0.61 -1.32 0.00 0.00 176.35 175.33 3i3b n GLY 899 N 4.92 -0.57 3.72 7.98 0.00 -0.76 -0.34 105.19 120.14 3i3b n GLY 899 Ca -0.12 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 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 4.45 0.00 0.99 1.43 -0.83 -1.50 118.68 123.22 3i3b s LEU 900 Ca 0.00 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 3i3b s LEU 900 Cb 0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 3i3b s LEU 900 CO 0.00 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.06 3i3b n GLY 901 N 2.49 0.86 0.21 -3.19 0.00 -0.33 -4.43 105.19 100.80 3i3b n GLY 901 Ca 0.03 -0.66 0.10 0.00 0.00 0.00 0.00 46.02 45.50 3i3b n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i3b h PRO 902 N 0.00 0.00 -7.36 1.61 0.13 -1.94 -1.44 132.00 123.01 3i3b h PRO 902 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 3i3b h PRO 902 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 3i3b h PRO 902 CO 0.00 0.13 0.35 -0.65 -0.23 0.00 0.00 178.00 177.60 3i3b s GLN 903 N -3.21 3.01 0.25 0.86 -0.21 -1.26 -5.00 119.66 114.10 3i3b s GLN 903 Ca 0.05 0.39 -0.30 0.00 0.02 0.00 0.00 55.36 55.52 3i3b s GLN 903 Cb 0.06 -2.10 -0.14 0.00 1.00 0.00 0.00 33.01 31.83 3i3b s GLN 903 CO 0.68 -0.86 1.23 -1.91 -2.12 0.00 0.00 175.29 172.31 3i3b n GLU 904 N -2.85 1.67 -3.71 2.91 2.13 -1.26 -4.90 120.64 114.63 3i3b n GLU 904 Ca 0.06 0.59 -0.12 0.00 0.66 0.00 0.00 57.16 58.35 3i3b n GLU 904 Cb 0.57 -2.13 -0.10 0.00 0.27 0.00 0.00 31.44 30.05 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 -0.09 -0.51 0.35 4.31 2.20 0.18 -4.91 114.94 116.46 3i3b s ASN 905 Ca 0.65 0.94 0.08 0.00 -0.94 0.00 0.00 52.86 53.59 3i3b s ASN 905 Cb -0.70 0.90 -0.05 0.00 -2.00 0.00 0.00 41.25 39.40 3i3b s ASN 905 CO 0.55 -0.17 0.10 -0.31 -2.94 0.00 0.00 177.10 174.32 3i3b s TYR 906 N 0.69 2.64 0.27 1.54 1.51 -0.99 -3.73 117.35 119.29 3i3b s TYR 906 Ca -0.04 -0.42 -0.05 0.00 -1.01 0.00 0.00 57.07 55.56 3i3b s TYR 906 Cb -0.05 -1.61 0.54 0.00 -0.11 0.00 0.00 41.96 40.73 3i3b s TYR 906 CO -0.05 0.38 1.59 -1.35 -1.11 0.00 0.00 175.55 175.01 3i3b h PRO 907 N 1.63 0.04 -0.64 -1.71 0.11 -1.85 0.37 132.00 129.95 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 32.35 3i3b h PRO 907 CO 0.65 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3i3b n ASP 908 N -5.47 3.89 -2.85 -2.05 5.75 -1.26 -4.38 116.55 110.18 3i3b n ASP 908 Ca 0.17 -2.44 -0.12 0.00 -0.01 0.00 0.00 54.79 52.40 3i3b n ASP 908 Cb 0.57 -0.54 0.04 0.00 -1.03 0.00 0.00 41.12 40.17 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 0.67 0.91 0.00 0.11 0.63 0.13 0.23 116.66 119.33 3i3b n ARG 909 Ca 0.19 -2.21 0.00 0.00 -0.92 0.00 0.00 57.85 54.91 3i3b n ARG 909 Cb 0.77 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 32.40 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 0.85 0.39 -0.02 6.15 -0.00 -0.97 -2.34 117.00 121.06 3i3b n LEU 910 Ca 0.11 -0.39 -0.00 0.00 -0.00 0.00 0.00 56.01 55.73 3i3b n LEU 910 Cb 0.66 0.00 0.29 0.00 -0.00 0.00 0.00 43.42 44.37 3i3b n LEU 910 CO 0.08 0.10 0.96 0.71 -0.00 0.00 0.00 177.39 179.24 3i3b h THR 911 N 1.98 1.19 0.00 1.47 1.35 -1.91 -2.42 112.91 114.58 3i3b h THR 911 Ca 0.00 -0.74 -0.08 0.00 -0.55 0.00 0.00 66.41 65.04 3i3b h THR 911 Cb 0.78 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 3i3b h THR 911 CO 0.00 0.26 -0.40 0.00 -0.25 0.00 0.00 175.52 175.13 3i3b h ALA 912 N 1.50 1.08 -2.56 6.62 0.00 -1.88 -3.45 119.26 120.57 3i3b h ALA 912 Ca 0.12 -0.36 -0.51 0.00 0.00 0.00 0.00 54.91 54.16 3i3b h ALA 912 Cb 0.29 -0.06 0.09 0.00 0.00 0.00 0.00 17.79 18.12 3i3b h ALA 912 CO 0.01 0.49 0.41 0.00 0.00 0.00 0.00 179.25 180.16 3i3b s ALA 913 N -3.75 2.54 0.08 0.00 0.00 -0.91 -5.00 121.76 114.72 3i3b s ALA 913 Ca -0.01 0.72 0.09 0.00 0.00 0.00 0.00 51.96 52.75 3i3b s ALA 913 Cb 0.12 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 3i3b s ALA 913 CO 0.70 -1.10 -0.23 0.00 0.00 0.00 0.00 175.76 175.12 3i3b s PHE 915 N -0.95 3.35 0.04 0.00 5.36 -1.26 -1.19 117.98 123.34 3i3b s PHE 915 Ca 0.09 1.28 -0.08 0.00 -0.96 0.00 0.00 56.93 57.27 3i3b s PHE 915 Cb -0.10 -3.12 0.03 0.00 -0.34 0.00 0.00 43.02 39.49 3i3b s PHE 915 CO 0.03 -0.39 0.38 -3.47 -1.46 0.00 0.00 175.22 170.31 3i3b n ASP 916 N 5.91 -0.54 -4.58 6.13 -0.08 -0.56 -4.90 116.55 117.92 3i3b n ASP 916 Ca 0.07 -1.25 -0.40 0.00 -1.51 0.00 0.00 54.79 51.71 3i3b n ASP 916 Cb 0.47 0.88 -0.09 0.00 2.34 0.00 0.00 41.12 44.72 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 3.83 0.09 -0.67 6.06 -1.26 -1.83 118.95 123.16 3i3b s ARG 917 Ca 0.09 -0.15 0.09 0.00 -2.50 0.00 0.00 55.73 53.26 3i3b s ARG 917 Cb -0.01 -3.72 -0.04 0.00 0.06 0.00 0.00 34.95 31.25 3i3b s ARG 917 CO 0.01 -0.38 -0.21 -1.58 -2.50 0.00 0.00 175.30 170.64 3i3b s TRP 918 N 2.06 2.46 -0.13 5.12 0.52 -0.06 -4.98 118.94 123.92 3i3b s TRP 918 Ca 0.14 -0.31 -0.04 0.00 0.02 0.00 0.00 56.10 55.91 3i3b s TRP 918 Cb -0.16 -1.35 0.06 0.00 -1.15 0.00 0.00 33.47 30.87 3i3b s TRP 918 CO 0.11 0.31 0.17 0.34 0.02 0.00 0.00 176.95 177.90 3i3b s ASP 919 N -1.85 1.10 0.08 2.95 -1.08 -1.26 -1.03 116.67 115.58 3i3b s ASP 919 Ca 0.15 0.08 0.01 0.00 -0.52 0.00 0.00 52.55 52.27 3i3b s ASP 919 Cb -0.10 0.26 -0.04 0.00 -1.46 0.00 0.00 42.92 41.58 3i3b s ASP 919 CO 0.07 -0.28 -0.06 -0.76 0.52 0.00 0.00 175.17 174.66 3i3b s LEU 920 N 2.29 2.45 0.64 -1.34 1.43 -0.57 -4.97 118.68 118.61 3i3b s LEU 920 Ca 0.04 -0.91 -0.17 0.00 -1.03 0.00 0.00 54.13 52.06 3i3b s LEU 920 Cb -0.14 -0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.05 3i3b s LEU 920 CO -0.08 -0.44 1.15 -2.16 0.23 0.00 0.00 176.35 175.05 3i3b s PRO 921 N -3.39 2.81 0.35 1.29 0.04 -1.26 -1.08 135.00 133.77 3i3b s PRO 921 Ca 0.06 1.61 0.11 0.00 0.04 0.00 0.00 61.00 62.82 3i3b s PRO 921 Cb 0.03 -1.93 0.88 0.00 0.04 0.00 0.00 34.50 33.51 3i3b s PRO 921 CO -0.05 -1.28 1.82 1.25 0.04 0.00 0.00 177.00 178.78 3i3b h LEU 922 N 0.38 0.63 -1.18 -3.56 5.85 -1.12 -1.78 115.31 114.53 3i3b h LEU 922 Ca -0.48 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.34 3i3b h LEU 922 Cb 1.27 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 3i3b h LEU 922 CO 0.54 0.25 0.57 0.77 -0.34 0.00 0.00 178.44 180.22 3i3b h SER 923 N 0.62 0.92 0.32 1.25 4.64 -1.90 -1.32 113.55 118.09 3i3b h SER 923 Ca 0.52 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3i3b h SER 923 Cb 0.98 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3i3b h SER 923 CO -0.27 0.63 0.00 0.47 -0.87 0.00 0.00 176.83 176.79 3i3b n ASP 924 N -4.45 0.04 -0.58 4.97 8.00 -0.67 -1.84 116.55 122.02 3i3b n ASP 924 Ca 0.11 0.51 0.05 0.00 0.71 0.00 0.00 54.79 56.18 3i3b n ASP 924 Cb 0.11 -0.52 0.14 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.54 1.73 -4.43 -1.24 2.81 -0.50 -4.73 117.12 109.22 3i3b n MET 925 Ca 0.02 -1.13 -0.25 0.00 -1.81 0.00 0.00 57.70 54.54 3i3b n MET 925 Cb 0.11 -1.25 -0.17 0.00 -0.71 0.00 0.00 33.22 31.21 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 -1.58 1.41 -0.33 2.03 5.04 -0.77 -4.45 117.35 118.70 3i3b s TYR 926 Ca 0.21 -0.55 -0.13 0.00 -2.44 0.00 0.00 57.07 54.16 3i3b s TYR 926 Cb 0.11 -1.07 -0.02 0.00 0.35 0.00 0.00 41.96 41.33 3i3b s TYR 926 CO 0.14 -0.31 0.24 0.99 -1.34 0.00 0.00 175.55 175.27 3i3b s THR 927 N 0.87 5.28 -0.66 4.34 2.01 -1.26 -4.97 115.64 121.26 3i3b s THR 927 Ca -0.11 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 3i3b s THR 927 Cb -0.15 -3.70 -0.07 0.00 0.01 0.00 0.00 72.50 68.58 3i3b s THR 927 CO 0.01 0.01 2.08 -0.81 -0.69 0.00 0.00 174.62 175.23 3i3b n PRO 928 N 5.12 1.76 -1.87 4.92 -0.04 -1.26 -4.88 135.00 138.75 3i3b n PRO 928 Ca -0.12 -1.19 -0.41 0.00 -0.04 0.00 0.00 63.50 61.73 3i3b n PRO 928 Cb 0.50 -2.27 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 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 3.11 2.79 0.22 0.54 2.02 -1.26 -4.88 117.35 119.89 3i3b s TYR 929 Ca 0.37 1.01 -0.08 0.00 -0.37 0.00 0.00 57.07 58.01 3i3b s TYR 929 Cb 0.11 -3.96 0.28 0.00 -0.40 0.00 0.00 41.96 37.99 3i3b s TYR 929 CO -0.02 -3.04 1.82 0.28 -1.57 0.00 0.00 175.55 173.02 3i3b h VAL 930 N 3.26 0.98 -3.29 0.71 2.07 -1.96 -3.30 116.25 114.72 3i3b h VAL 930 Ca -0.48 -0.27 -0.71 0.00 0.82 0.00 0.00 66.70 66.06 3i3b h VAL 930 Cb 1.23 0.14 -0.20 0.00 -1.52 0.00 0.00 31.29 30.93 3i3b h VAL 930 CO 0.73 0.14 -0.13 0.12 0.02 0.00 0.00 177.57 178.45 3i3b s PHE 931 N -6.08 3.14 0.53 1.57 5.36 -1.26 -0.90 117.98 120.33 3i3b s PHE 931 Ca -0.13 -0.69 -0.21 0.00 -0.96 0.00 0.00 56.93 54.94 3i3b s PHE 931 Cb 0.17 -3.33 -0.07 0.00 -0.34 0.00 0.00 43.02 39.44 3i3b s PHE 931 CO 0.77 -0.91 0.96 -2.30 -1.46 0.00 0.00 175.22 172.28 3i3b n PRO 932 N 5.72 1.08 -3.41 10.12 -0.02 -1.24 -4.97 135.00 142.27 3i3b n PRO 932 Ca -0.09 0.40 0.01 0.00 -2.02 0.00 0.00 63.50 61.80 3i3b n PRO 932 Cb 0.45 -2.09 0.01 0.00 -0.02 0.00 0.00 33.50 31.85 3i3b n PRO 932 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i3b n SER 933 N -0.14 -1.00 -4.66 2.55 3.41 -1.26 -4.76 113.62 107.75 3i3b n SER 933 Ca 0.11 -1.31 -0.43 0.00 -0.26 0.00 0.00 58.87 56.98 3i3b n SER 933 Cb 0.44 1.58 -0.01 0.00 -0.26 0.00 0.00 64.21 65.96 3i3b n SER 933 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i3b n GLU 934 N -0.65 1.82 -3.75 4.33 4.07 -0.25 -4.93 120.64 121.28 3i3b n GLU 934 Ca 0.02 0.64 -0.02 0.00 -0.06 0.00 0.00 57.16 57.74 3i3b n GLU 934 Cb 0.44 -2.17 -0.01 0.00 -0.06 0.00 0.00 31.44 29.64 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 -0.44 -0.12 0.00 4.31 2.20 -1.26 -4.91 114.94 114.73 3i3b s ASN 935 Ca 0.57 -0.38 0.00 0.00 -0.94 0.00 0.00 52.86 52.11 3i3b s ASN 935 Cb -0.60 0.41 0.00 0.00 -2.00 0.00 0.00 41.25 39.06 3i3b s ASN 935 CO 0.61 -0.77 0.00 0.61 -2.94 0.00 0.00 177.10 174.61 3i3b n GLY 936 N -0.52 0.74 3.65 0.45 0.00 -1.26 -4.84 105.19 103.41 3i3b n GLY 936 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 4.21 -3.77 0.99 7.94 -1.26 -4.62 117.00 120.49 3i3b n LEU 937 Ca 0.00 0.73 -0.17 0.00 -1.11 0.00 0.00 56.01 55.46 3i3b n LEU 937 Cb 0.00 -1.44 -0.16 0.00 0.53 0.00 0.00 43.42 42.34 3i3b n LEU 937 CO 0.00 -1.74 -0.36 -0.13 -1.11 0.00 0.00 177.39 174.05 3i3b s ARG 938 N -3.27 0.09 0.51 1.96 3.00 -0.33 -0.65 118.95 120.26 3i3b s ARG 938 Ca 0.76 0.17 0.08 0.00 0.00 0.00 0.00 55.73 56.75 3i3b s ARG 938 Cb -0.37 -0.38 0.04 0.00 0.00 0.00 0.00 34.95 34.24 3i3b s ARG 938 CO 0.47 -0.18 0.56 0.00 0.00 0.00 0.00 175.30 176.15 3i3b n GLY 940 N -1.90 -0.50 3.70 0.00 0.00 -1.20 -1.97 105.19 103.31 3i3b n GLY 940 Ca 0.07 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.12 5.16 -0.07 2.61 2.01 0.27 -3.75 115.64 118.75 3i3b s THR 941 Ca 0.45 0.95 0.20 0.00 0.31 0.00 0.00 61.69 63.60 3i3b s THR 941 Cb -0.22 -3.82 -0.30 0.00 0.01 0.00 0.00 72.50 68.16 3i3b s THR 941 CO 0.56 0.27 0.45 0.54 -0.69 0.00 0.00 174.62 175.75 3i3b n ARG 942 N 4.11 0.60 -3.71 4.92 5.12 0.53 -0.80 116.66 127.43 3i3b n ARG 942 Ca -0.06 -0.17 -0.12 0.00 -1.93 0.00 0.00 57.85 55.56 3i3b n ARG 942 Cb 0.51 -1.47 -0.10 0.00 -1.16 0.00 0.00 32.46 30.24 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 -3.35 0.50 -0.05 5.56 2.12 -1.14 -1.68 118.70 120.65 3i3b s GLU 943 Ca -0.07 0.67 0.01 0.00 0.36 0.00 0.00 54.97 55.94 3i3b s GLU 943 Cb 0.13 0.19 0.02 0.00 0.26 0.00 0.00 34.13 34.73 3i3b s GLU 943 CO 0.82 -0.09 -0.04 -1.17 -0.54 0.00 0.00 175.26 174.24 3i3b s LEU 944 N 0.53 1.23 -0.13 2.70 2.96 0.44 -0.65 118.68 125.77 3i3b s LEU 944 Ca -0.02 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 3i3b s LEU 944 Cb -0.04 -0.48 0.00 0.00 0.50 0.00 0.00 46.19 46.17 3i3b s LEU 944 CO -0.03 -0.07 -0.21 0.20 -1.32 0.00 0.00 176.35 174.92 3i3b s ASN 945 N 1.09 3.28 -0.17 3.68 0.01 0.22 -0.56 114.94 122.49 3i3b s ASN 945 Ca -0.08 -0.54 -0.04 0.00 -0.71 0.00 0.00 52.86 51.49 3i3b s ASN 945 Cb -0.14 -1.47 0.08 0.00 0.41 0.00 0.00 41.25 40.13 3i3b s ASN 945 CO -0.01 0.12 0.22 -0.47 -1.51 0.00 0.00 177.10 175.45 3i3b s TYR 946 N 0.61 -0.30 0.00 2.20 5.04 -0.57 -2.05 117.35 122.28 3i3b s TYR 946 Ca -0.11 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 3i3b s TYR 946 Cb -0.16 -0.27 0.00 0.00 0.35 0.00 0.00 41.96 41.88 3i3b s TYR 946 CO 0.03 -0.50 0.00 0.41 -1.34 0.00 0.00 175.55 174.15 3i3b n GLY 947 N 5.33 3.83 0.08 8.97 0.00 -1.26 -1.08 105.19 121.06 3i3b n GLY 947 Ca -0.05 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 13.98 0.35 -3.12 1.61 -0.04 -1.26 -4.82 135.00 141.70 3i3b n PRO 948 Ca 0.00 -0.16 -0.30 0.00 -0.04 0.00 0.00 63.50 63.00 3i3b n PRO 948 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 3i3b n PRO 948 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3i3b s HIS 949 N -2.76 3.46 -0.12 0.54 3.76 -0.24 0.89 115.29 120.82 3i3b s HIS 949 Ca 0.19 0.88 -0.06 0.00 -0.15 0.00 0.00 55.06 55.92 3i3b s HIS 949 Cb 0.19 -2.30 0.05 0.00 1.11 0.00 0.00 32.58 31.63 3i3b s HIS 949 CO 0.57 0.06 0.28 -1.14 -0.85 0.00 0.00 174.74 173.66 3i3b s GLN 950 N -3.55 0.24 -0.09 1.40 0.74 -0.34 -1.50 119.66 116.55 3i3b s GLN 950 Ca 0.48 0.60 0.04 0.00 0.05 0.00 0.00 55.36 56.53 3i3b s GLN 950 Cb -0.11 -0.09 -0.00 0.00 1.10 0.00 0.00 33.01 33.91 3i3b s GLN 950 CO 0.29 -0.17 -0.23 -1.58 -0.55 0.00 0.00 175.29 173.05 3i3b s TRP 951 N 1.37 2.57 0.20 1.67 0.51 0.28 -1.67 118.94 123.87 3i3b s TRP 951 Ca -0.09 -0.92 0.10 0.00 -2.12 0.00 0.00 56.10 53.07 3i3b s TRP 951 Cb -0.10 -1.70 -0.04 0.00 -0.81 0.00 0.00 33.47 30.81 3i3b s TRP 951 CO -0.10 -0.35 -0.19 1.03 -0.51 0.00 0.00 176.95 176.84 3i3b s ARG 952 N 0.23 1.42 0.00 4.98 0.52 -0.38 -0.42 118.95 125.30 3i3b s ARG 952 Ca -0.15 -1.54 0.00 0.00 -0.52 0.00 0.00 55.73 53.52 3i3b s ARG 952 Cb -0.17 -1.49 0.00 0.00 0.52 0.00 0.00 34.95 33.81 3i3b s ARG 952 CO 0.07 0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.10 3i3b n GLY 953 N -0.04 0.22 2.80 -3.53 0.00 -0.68 -1.53 105.19 102.43 3i3b n GLY 953 Ca -0.10 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 3i3b n GLY 953 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i3b s ASP 954 N -4.00 0.88 0.30 1.61 2.15 -1.24 -4.15 116.67 112.22 3i3b s ASP 954 Ca 0.00 -1.56 0.05 0.00 0.43 0.00 0.00 52.55 51.46 3i3b s ASP 954 Cb 0.00 0.69 -0.03 0.00 -0.30 0.00 0.00 42.92 43.28 3i3b s ASP 954 CO 0.00 -0.24 0.27 0.72 -0.17 0.00 0.00 175.17 175.75 3i3b s PHE 955 N 1.41 1.57 0.13 -5.34 -0.12 0.02 -4.87 117.98 110.78 3i3b s PHE 955 Ca 0.17 -1.57 0.09 0.00 -0.05 0.00 0.00 56.93 55.58 3i3b s PHE 955 Cb -0.14 -0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 41.59 3i3b s PHE 955 CO -0.03 -0.85 -0.18 -0.65 -0.05 0.00 0.00 175.22 173.46 3i3b s GLN 956 N -3.56 1.78 0.16 1.99 -1.52 0.01 -0.57 119.66 117.96 3i3b s GLN 956 Ca 0.39 -1.22 -0.19 0.00 -1.95 0.00 0.00 55.36 52.39 3i3b s GLN 956 Cb 0.03 -2.09 0.04 0.00 -0.22 0.00 0.00 33.01 30.77 3i3b s GLN 956 CO 0.24 0.47 0.52 -0.59 -0.25 0.00 0.00 175.29 175.67 3i3b s PHE 957 N -1.24 -0.29 0.00 0.91 -0.71 -0.45 0.24 117.98 116.44 3i3b s PHE 957 Ca 0.19 -0.01 -0.08 0.00 -1.04 0.00 0.00 56.93 55.99 3i3b s PHE 957 Cb -0.10 0.42 0.00 0.00 -1.21 0.00 0.00 43.02 42.13 3i3b s PHE 957 CO 0.10 -0.84 0.15 0.54 -1.34 0.00 0.00 175.22 173.84 3i3b s ASN 958 N -2.81 0.01 -0.14 1.98 2.20 -0.37 -1.19 114.94 114.63 3i3b s ASN 958 Ca 0.05 -0.20 -0.10 0.00 -0.94 0.00 0.00 52.86 51.67 3i3b s ASN 958 Cb -0.00 0.22 0.05 0.00 -2.00 0.00 0.00 41.25 39.51 3i3b s ASN 958 CO -0.09 -0.39 0.35 -0.51 -2.94 0.00 0.00 177.10 173.52 3i3b s ILE 959 N -1.46 -0.02 0.03 0.54 2.07 -1.26 -1.43 121.20 119.67 3i3b s ILE 959 Ca -0.14 0.06 -0.07 0.00 -1.41 0.00 0.00 60.65 59.10 3i3b s ILE 959 Cb -0.07 -0.51 0.02 0.00 0.13 0.00 0.00 42.46 42.03 3i3b s ILE 959 CO 0.01 0.03 0.32 -1.54 -1.91 0.00 0.00 174.94 171.85 3i3b n SER 960 N 3.66 -0.44 -1.33 4.50 3.41 -0.85 -4.59 113.62 117.98 3i3b n SER 960 Ca -0.19 -1.19 0.08 0.00 -0.26 0.00 0.00 58.87 57.30 3i3b n SER 960 Cb 0.56 0.70 0.29 0.00 -0.26 0.00 0.00 64.21 65.50 3i3b n SER 960 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i3b n ARG 961 N -0.22 3.17 -3.95 4.33 5.12 -1.26 0.07 116.66 123.91 3i3b n ARG 961 Ca 0.00 -2.31 -0.29 0.00 -1.93 0.00 0.00 57.85 53.32 3i3b n ARG 961 Cb 0.16 -1.76 -0.16 0.00 -1.16 0.00 0.00 32.46 29.54 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 -1.75 2.02 0.62 -1.55 2.02 -1.26 -0.30 117.35 117.15 3i3b s TYR 962 Ca 0.41 -1.27 -0.17 0.00 -0.37 0.00 0.00 57.07 55.68 3i3b s TYR 962 Cb 0.26 -1.47 -0.02 0.00 -0.40 0.00 0.00 41.96 40.33 3i3b s TYR 962 CO 0.21 -0.66 1.13 -1.54 -1.57 0.00 0.00 175.55 173.11 3i3b s SER 963 N 1.53 5.27 0.48 2.29 1.04 -1.26 -4.85 113.70 118.20 3i3b s SER 963 Ca 0.01 2.09 0.19 0.00 0.48 0.00 0.00 55.95 58.72 3i3b s SER 963 Cb -0.15 -2.56 1.21 0.00 0.10 0.00 0.00 66.02 64.62 3i3b s SER 963 CO -0.08 -1.53 2.00 1.56 0.98 0.00 0.00 173.24 176.17 3i3b h GLN 964 N 0.44 0.18 -0.28 4.02 1.08 -1.99 -1.61 115.11 116.94 3i3b h GLN 964 Ca -0.48 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 56.67 3i3b h GLN 964 Cb 1.26 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 3i3b h GLN 964 CO 0.55 0.12 0.02 0.37 -0.95 0.00 0.00 178.83 178.94 3i3b h GLN 965 N 0.19 0.49 -0.25 1.46 4.15 -1.99 -1.53 115.11 117.63 3i3b h GLN 965 Ca 0.24 -0.15 -0.05 0.00 0.77 0.00 0.00 58.65 59.47 3i3b h GLN 965 Cb 0.71 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 3i3b h GLN 965 CO -0.04 0.63 -0.04 0.37 -1.93 0.00 0.00 178.83 177.81 3i3b h GLN 966 N 0.28 0.46 -0.58 1.69 4.15 -1.68 -2.02 115.11 117.42 3i3b h GLN 966 Ca 0.08 -0.17 0.09 0.00 0.77 0.00 0.00 58.65 59.42 3i3b h GLN 966 Cb 0.40 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.99 3i3b h GLN 966 CO 0.01 0.67 0.21 -0.07 -1.93 0.00 0.00 178.83 177.73 3i3b h LEU 967 N 0.21 0.21 -1.69 -2.39 3.38 -1.36 -0.24 115.31 113.43 3i3b h LEU 967 Ca 0.06 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3i3b h LEU 967 Cb 0.49 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3i3b h LEU 967 CO 0.02 0.13 -0.18 -0.03 0.09 0.00 0.00 178.44 178.47 3i3b h MET 968 N 0.39 0.00 -0.02 1.13 4.05 -1.14 -3.05 114.93 116.30 3i3b h MET 968 Ca 0.29 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 3i3b h MET 968 Cb 0.34 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 3i3b h MET 968 CO -0.29 0.18 -0.25 0.39 0.23 0.00 0.00 176.91 177.18 3i3b n GLU 969 N -4.12 1.62 -4.10 0.39 1.02 -0.61 -4.93 120.64 109.91 3i3b n GLU 969 Ca -0.02 -1.27 -0.34 0.00 -0.02 0.00 0.00 57.16 55.51 3i3b n GLU 969 Cb 0.26 -1.40 -0.11 0.00 -0.02 0.00 0.00 31.44 30.17 3i3b n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3i3b s THR 970 N -2.04 4.46 -0.01 2.62 2.01 -0.20 -5.01 115.64 117.47 3i3b s THR 970 Ca 0.20 -0.15 0.11 0.00 0.31 0.00 0.00 61.69 62.16 3i3b s THR 970 Cb 0.17 -3.00 -0.14 0.00 0.01 0.00 0.00 72.50 69.53 3i3b s THR 970 CO 0.40 0.46 1.13 0.77 -0.69 0.00 0.00 174.62 176.69 3i3b h SER 971 N 6.86 0.00 -4.28 3.53 4.64 -1.90 -3.38 113.55 119.01 3i3b h SER 971 Ca -0.35 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.47 3i3b h SER 971 Cb 1.18 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.00 3i3b h SER 971 CO 0.67 0.83 -0.82 -1.00 -0.87 0.00 0.00 176.83 175.64 3i3b s HIS 972 N -2.77 1.42 0.47 4.77 3.76 -1.26 -4.31 115.29 117.37 3i3b s HIS 972 Ca 0.00 -0.32 0.12 0.00 -0.15 0.00 0.00 55.06 54.71 3i3b s HIS 972 Cb 0.09 -0.88 1.07 0.00 1.11 0.00 0.00 32.58 33.98 3i3b s HIS 972 CO 0.80 0.02 2.11 0.07 -0.85 0.00 0.00 174.74 176.89 3i3b h ARG 973 N 5.28 0.26 0.00 1.40 0.11 -1.22 -1.98 114.38 118.22 3i3b h ARG 973 Ca -0.38 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.69 3i3b h ARG 973 Cb 1.17 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.19 3i3b h ARG 973 CO 0.46 0.17 0.00 -2.39 0.10 0.00 0.00 179.97 178.31 3i3b n HIS 974 N -4.51 0.00 0.80 4.08 1.44 -1.26 -2.44 115.22 113.33 3i3b n HIS 974 Ca -0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 3i3b n HIS 974 Cb 0.07 -0.47 0.20 0.00 0.12 0.00 0.00 29.99 29.91 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 -1.47 2.96 -4.79 2.39 4.77 -0.75 -4.95 117.00 115.16 3i3b n LEU 975 Ca 0.05 -1.12 -0.36 0.00 -0.03 0.00 0.00 56.01 54.55 3i3b n LEU 975 Cb 0.20 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3i3b n LEU 975 CO 0.16 0.56 0.69 -0.76 -1.33 0.00 0.00 177.39 176.71 3i3b s LEU 976 N -1.78 4.14 -0.04 2.23 1.43 -1.02 -5.04 118.68 118.61 3i3b s LEU 976 Ca 0.33 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 55.35 3i3b s LEU 976 Cb 0.21 -4.23 0.00 0.00 0.03 0.00 0.00 46.19 42.20 3i3b s LEU 976 CO 0.31 -0.34 -0.13 -1.38 0.23 0.00 0.00 176.35 175.03 3i3b s HIS 977 N -1.78 1.38 0.09 0.29 -3.43 -1.26 -5.10 115.29 105.47 3i3b s HIS 977 Ca 0.57 -0.38 -0.31 0.00 -0.80 0.00 0.00 55.06 54.14 3i3b s HIS 977 Cb -0.18 -0.95 -0.10 0.00 -1.43 0.00 0.00 32.58 29.93 3i3b s HIS 977 CO 0.22 -0.14 1.84 0.00 -2.00 0.00 0.00 174.74 174.66 3i3b s ALA 978 N 0.13 3.70 0.63 -1.38 0.00 -1.26 -4.81 121.76 118.77 3i3b s ALA 978 Ca -0.04 1.37 -0.09 0.00 0.00 0.00 0.00 51.96 53.20 3i3b s ALA 978 Cb -0.10 -3.78 -0.00 0.00 0.00 0.00 0.00 23.12 19.23 3i3b s ALA 978 CO 0.01 -1.32 1.00 -1.21 0.00 0.00 0.00 175.76 174.25 3i3b s GLU 979 N 3.26 3.11 0.37 0.00 2.02 0.59 -5.00 118.70 123.06 3i3b s GLU 979 Ca 0.82 0.37 -0.28 0.00 0.02 0.00 0.00 54.97 55.91 3i3b s GLU 979 Cb -0.44 -2.14 -0.10 0.00 0.10 0.00 0.00 34.13 31.55 3i3b s GLU 979 CO 0.37 -0.76 1.38 -2.00 0.02 0.00 0.00 175.26 174.28 3i3b s GLU 980 N -5.16 4.12 2.87 1.61 2.12 -1.26 -4.73 118.70 118.28 3i3b s GLU 980 Ca 0.55 2.35 0.00 0.00 0.36 0.00 0.00 54.97 58.23 3i3b s GLU 980 Cb -0.11 -2.93 0.00 0.00 0.26 0.00 0.00 34.13 31.35 3i3b s GLU 980 CO 0.50 -0.43 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 3i3b n GLY 981 N 0.63 -0.04 2.88 -1.50 0.00 -1.26 -4.82 105.19 101.07 3i3b n GLY 981 Ca 0.02 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 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 0.58 -0.18 2.61 2.01 0.25 -4.71 115.64 116.19 3i3b s THR 982 Ca 0.00 -0.10 -0.25 0.00 0.31 0.00 0.00 61.69 61.65 3i3b s THR 982 Cb 0.00 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 3i3b s THR 982 CO 0.00 0.25 0.81 0.26 -0.69 0.00 0.00 174.62 175.26 3i3b s TRP 983 N 1.19 3.40 -0.11 4.92 0.52 0.11 -0.23 118.94 128.74 3i3b s TRP 983 Ca -0.07 1.21 -0.00 0.00 0.02 0.00 0.00 56.10 57.26 3i3b s TRP 983 Cb -0.14 -3.00 -0.02 0.00 -1.15 0.00 0.00 33.47 29.16 3i3b s TRP 983 CO -0.01 -0.26 -0.10 -1.17 0.02 0.00 0.00 176.95 175.42 3i3b s LEU 984 N 2.24 2.93 -0.19 2.99 2.96 -0.30 -2.01 118.68 127.30 3i3b s LEU 984 Ca 0.37 -0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 54.08 3i3b s LEU 984 Cb -0.16 -1.65 0.05 0.00 0.50 0.00 0.00 46.19 44.92 3i3b s LEU 984 CO 0.11 0.24 -0.06 0.20 -1.32 0.00 0.00 176.35 175.52 3i3b s ASN 985 N -0.07 3.19 -0.21 3.68 0.01 -0.52 -2.12 114.94 118.90 3i3b s ASN 985 Ca -0.01 -0.83 -0.00 0.00 -0.71 0.00 0.00 52.86 51.30 3i3b s ASN 985 Cb -0.14 -1.04 0.02 0.00 0.41 0.00 0.00 41.25 40.51 3i3b s ASN 985 CO 0.03 -0.19 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.66 3i3b s ILE 986 N 1.53 2.47 -0.08 0.60 1.01 -0.63 -1.23 121.20 124.87 3i3b s ILE 986 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.72 3i3b s ILE 986 Cb -0.16 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 3i3b s ILE 986 CO -0.08 0.42 -0.06 -1.81 0.00 0.00 0.00 174.94 173.41 3i3b s ASP 987 N 1.32 4.71 0.12 3.58 1.01 0.14 -0.72 116.67 126.82 3i3b s ASP 987 Ca 0.03 -0.02 0.02 0.00 0.71 0.00 0.00 52.55 53.29 3i3b s ASP 987 Cb -0.14 -1.27 -0.16 0.00 1.01 0.00 0.00 42.92 42.35 3i3b s ASP 987 CO -0.09 0.34 1.27 1.23 0.21 0.00 0.00 175.17 178.13 3i3b h GLY 988 N 5.40 0.17 -4.49 0.21 0.00 -0.96 0.06 103.07 103.46 3i3b h GLY 988 Ca -0.47 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 46.34 3i3b h GLY 988 CO 0.54 0.34 -0.54 -1.36 0.00 0.00 0.00 176.54 175.51 3i3b s PHE 989 N -2.85 0.14 -0.10 5.60 0.40 -0.93 -4.70 117.98 115.53 3i3b s PHE 989 Ca -0.02 -0.35 -0.07 0.00 -0.60 0.00 0.00 56.93 55.90 3i3b s PHE 989 Cb 0.09 -0.11 0.04 0.00 0.51 0.00 0.00 43.02 43.55 3i3b s PHE 989 CO 0.84 -0.30 0.26 -1.58 0.70 0.00 0.00 175.22 175.14 3i3b s HIS 990 N -1.89 -0.32 0.70 0.36 2.46 -1.26 -1.50 115.29 113.84 3i3b s HIS 990 Ca -0.11 0.77 -0.14 0.00 0.47 0.00 0.00 55.06 56.05 3i3b s HIS 990 Cb -0.05 0.08 0.02 0.00 -0.13 0.00 0.00 32.58 32.50 3i3b s HIS 990 CO -0.01 -0.20 1.14 1.41 -2.47 0.00 0.00 174.74 174.61 3i3b s MET 991 N 0.82 2.48 0.84 2.88 1.75 -0.07 -4.75 119.30 123.24 3i3b s MET 991 Ca -0.06 1.49 -0.11 0.00 -1.25 0.00 0.00 55.69 55.76 3i3b s MET 991 Cb -0.07 -1.90 0.10 0.00 2.84 0.00 0.00 34.83 35.80 3i3b s MET 991 CO -0.05 -1.52 1.09 0.20 -0.65 0.00 0.00 175.02 174.09 3i3b s GLY 992 N -2.49 1.65 0.09 2.11 0.00 -0.52 -4.74 107.32 103.41 3i3b s GLY 992 Ca 0.69 0.10 0.23 0.00 0.00 0.00 0.00 44.72 45.73 3i3b s GLY 992 CO 0.44 0.52 0.91 0.29 0.00 0.00 0.00 173.10 175.26 3i3b n ILE 993 N -3.72 0.30 -4.76 0.90 -5.35 -1.26 -4.92 119.36 100.55 3i3b n ILE 993 Ca 0.08 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 3i3b n ILE 993 Cb 0.54 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 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 0.31 0.00 3.28 0.00 -1.26 -4.76 105.19 104.04 3i3b n GLY 994 Ca -0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.19 0.52 -0.02 0.00 -1.26 -0.76 105.19 103.49 3i3b n GLY 995 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.37 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 0.06 -5.15 1.61 3.32 -1.80 -1.32 116.42 113.14 3i3b h ASP 996 Ca 0.00 0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.18 3i3b h ASP 996 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 3i3b h ASP 996 CO 0.00 0.01 0.35 1.51 -1.72 0.00 0.00 179.24 179.38 3i3b s ASP 997 N -5.12 -0.22 -0.18 6.45 1.47 -1.26 -4.02 116.67 113.80 3i3b s ASP 997 Ca -0.05 -0.53 0.14 0.00 1.18 0.00 0.00 52.55 53.28 3i3b s ASP 997 Cb 0.23 0.62 0.37 0.00 -0.34 0.00 0.00 42.92 43.81 3i3b s ASP 997 CO 0.81 -1.16 1.19 -1.20 0.68 0.00 0.00 175.17 175.50 3i3b n SER 998 N -0.49 1.89 -0.37 2.11 7.64 -1.26 -4.66 113.62 118.47 3i3b n SER 998 Ca -0.05 -3.59 0.04 0.00 1.01 0.00 0.00 58.87 56.28 3i3b n SER 998 Cb 0.60 -0.49 0.06 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.18 0.00 -3.57 1.43 2.14 -1.26 -2.82 117.44 112.17 3i3b n TRP 999 Ca 0.18 -0.41 -0.11 0.00 2.07 0.00 0.00 57.50 59.22 3i3b n TRP 999 Cb 0.68 -0.09 -0.05 0.00 -0.81 0.00 0.00 31.31 31.04 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 -1.76 -0.41 -0.20 -0.67 1.04 -1.26 -4.81 113.70 105.63 3i3b s SER 1000Ca 0.13 0.47 -0.40 0.00 0.48 0.00 0.00 55.95 56.64 3i3b s SER 1000Cb 0.12 0.36 -0.16 0.00 0.10 0.00 0.00 66.02 66.44 3i3b s SER 1000CO 0.01 -0.37 1.63 -2.65 0.98 0.00 0.00 173.24 172.84 3i3b n PRO 1001N 0.83 1.08 0.00 4.02 -0.02 -1.26 -4.84 135.00 134.81 3i3b n PRO 1001Ca -0.11 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3i3b n PRO 1001Cb 0.58 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3i3b n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i3b n SER 1002N 4.59 1.10 -4.68 2.55 3.41 -1.26 -5.01 113.62 114.32 3i3b n SER 1002Ca 0.25 -1.37 -0.43 0.00 -0.26 0.00 0.00 58.87 57.07 3i3b n SER 1002Cb 0.13 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.37 4.60 0.59 -3.33 1.01 -1.26 -4.29 120.40 117.36 3i3b s VAL 1003Ca 0.00 1.89 -0.19 0.00 0.00 0.00 0.00 61.98 63.69 3i3b s VAL 1003Cb 0.00 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3i3b s VAL 1003CO 0.00 -0.04 1.21 -0.55 0.00 0.00 0.00 175.10 175.72 3i3b s SER 1004N 1.27 5.17 0.25 3.32 0.15 -1.26 -4.88 113.70 117.72 3i3b s SER 1004Ca 0.50 2.39 -0.05 0.00 0.70 0.00 0.00 55.95 59.49 3i3b s SER 1004Cb -0.19 -2.60 0.46 0.00 -1.71 0.00 0.00 66.02 61.98 3i3b s SER 1004CO 0.16 -1.61 1.66 0.00 1.20 0.00 0.00 173.24 174.66 3i3b h ALA 1005N 0.87 0.89 0.00 5.45 0.00 -1.96 -0.18 119.26 124.34 3i3b h ALA 1005Ca -0.50 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i3b h ALA 1005Cb 1.30 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3i3b h ALA 1005CO 0.55 -0.39 0.01 1.05 0.00 0.00 0.00 179.25 180.47 3i3b h GLU 1006N 0.19 0.00 -0.47 0.00 9.09 -2.04 -1.67 114.58 119.67 3i3b h GLU 1006Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 3i3b h GLU 1006Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 3i3b h GLU 1006CO -0.58 0.00 0.00 1.19 0.05 0.00 0.00 179.01 179.67 3i3b n PHE 1007N -2.99 1.00 -3.86 2.06 3.72 -0.09 -4.94 117.46 112.36 3i3b n PHE 1007Ca -0.03 -0.62 -0.36 0.00 -0.05 0.00 0.00 57.45 56.38 3i3b n PHE 1007Cb 0.08 -0.17 -0.06 0.00 -0.94 0.00 0.00 39.48 38.39 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 -1.71 3.46 -1.33 -1.08 -0.21 -0.63 -1.44 119.66 116.72 3i3b s GLN 1008Ca 0.40 -0.13 -0.15 0.00 0.02 0.00 0.00 55.36 55.50 3i3b s GLN 1008Cb 0.26 -3.17 0.09 0.00 1.00 0.00 0.00 33.01 31.18 3i3b s GLN 1008CO 0.19 0.76 1.86 1.28 -2.12 0.00 0.00 175.29 177.25 3i3b n LEU 1009N 1.80 5.78 -0.80 2.90 4.77 -1.26 -4.64 117.00 125.55 3i3b n LEU 1009Ca -0.18 -4.16 0.07 0.00 -0.03 0.00 0.00 56.01 51.70 3i3b n LEU 1009Cb 0.54 -1.67 0.19 0.00 -2.33 0.00 0.00 43.42 40.16 3i3b n LEU 1009CO 0.33 0.69 0.66 -1.54 -1.33 0.00 0.00 177.39 176.20 3i3b n SER 1010N 6.70 3.16 0.28 -1.43 3.41 -1.26 -4.38 113.62 120.09 3i3b n SER 1010Ca 0.47 -2.00 0.15 0.00 -0.26 0.00 0.00 58.87 57.23 3i3b n SER 1010Cb 0.42 -0.29 0.78 0.00 -0.26 0.00 0.00 64.21 64.87 3i3b n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3b h ALA 1011N 2.55 1.19 0.00 7.33 0.00 -1.98 -3.46 119.26 124.88 3i3b h ALA 1011Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i3b h ALA 1011Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3i3b h ALA 1011CO 0.00 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.77 3i3b n GLY 1012N -0.60 1.70 3.10 0.00 0.00 -1.26 -4.88 105.19 103.25 3i3b n GLY 1012Ca -0.02 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 2.31 0.03 1.61 0.52 -1.26 0.55 118.95 122.71 3i3b s ARG 1013Ca 0.00 -0.62 0.05 0.00 -0.52 0.00 0.00 55.73 54.64 3i3b s ARG 1013Cb 0.00 -1.85 -0.02 0.00 0.52 0.00 0.00 34.95 33.60 3i3b s ARG 1013CO 0.00 0.05 -0.14 0.71 0.02 0.00 0.00 175.30 175.95 3i3b s TYR 1014N 0.64 1.21 -0.03 -0.53 2.02 0.28 -4.98 117.35 115.96 3i3b s TYR 1014Ca -0.14 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.23 3i3b s TYR 1014Cb -0.16 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.69 3i3b s TYR 1014CO 0.04 0.03 -0.04 -1.58 -1.57 0.00 0.00 175.55 172.43 3i3b s HIS 1015N -0.80 0.58 0.02 2.71 5.65 -1.26 -0.14 115.29 122.05 3i3b s HIS 1015Ca 0.02 -0.13 -0.18 0.00 0.25 0.00 0.00 55.06 55.02 3i3b s HIS 1015Cb -0.08 -0.51 0.03 0.00 -1.18 0.00 0.00 32.58 30.85 3i3b s HIS 1015CO 0.01 -0.12 0.40 1.52 -0.65 0.00 0.00 174.74 175.90 3i3b s TYR 1016N 0.61 -0.26 -0.02 3.88 1.13 -0.49 -5.03 117.35 117.18 3i3b s TYR 1016Ca -0.07 0.29 0.01 0.00 -1.41 0.00 0.00 57.07 55.88 3i3b s TYR 1016Cb -0.11 0.19 0.01 0.00 -1.10 0.00 0.00 41.96 40.96 3i3b s TYR 1016CO -0.00 -0.52 -0.02 1.14 -2.51 0.00 0.00 175.55 173.64 3i3b s GLN 1017N -2.09 0.29 0.18 -3.49 -2.07 -1.26 -0.65 119.66 110.57 3i3b s GLN 1017Ca -0.08 -0.02 0.09 0.00 -1.82 0.00 0.00 55.36 53.53 3i3b s GLN 1017Cb -0.02 -0.37 -0.04 0.00 -1.09 0.00 0.00 33.01 31.49 3i3b s GLN 1017CO 0.00 -0.03 -0.19 -0.51 -1.32 0.00 0.00 175.29 173.24 3i3b s LEU 1018N 0.47 2.46 -0.13 2.60 1.43 0.59 -4.35 118.68 121.75 3i3b s LEU 1018Ca -0.05 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 3i3b s LEU 1018Cb -0.08 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.29 3i3b s LEU 1018CO -0.01 -0.02 -0.12 -0.69 0.23 0.00 0.00 176.35 175.74 3i3b s VAL 1019N -2.14 1.39 -0.18 -1.59 1.01 -0.58 0.71 120.40 119.01 3i3b s VAL 1019Ca 0.18 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 3i3b s VAL 1019Cb -0.05 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3i3b s VAL 1019CO 0.08 0.43 -0.05 0.86 0.00 0.00 0.00 175.10 176.41 3i3b s TRP 1020N 1.51 2.96 0.35 5.22 -0.11 -0.43 -1.25 118.94 127.19 3i3b s TRP 1020Ca 0.04 -0.63 -0.09 0.00 1.22 0.00 0.00 56.10 56.64 3i3b s TRP 1020Cb -0.13 -2.01 0.04 0.00 -1.50 0.00 0.00 33.47 29.86 3i3b s TRP 1020CO -0.09 -0.30 0.62 0.00 -4.62 0.00 0.00 176.95 172.56 3i3b s GLN 1022N -2.36 4.33 0.00 0.00 -0.21 -1.26 -1.19 119.66 118.96 3i3b s GLN 1022Ca 0.20 0.74 0.29 0.00 0.02 0.00 0.00 55.36 56.60 3i3b s GLN 1022Cb -0.03 -3.35 1.71 0.00 1.00 0.00 0.00 33.01 32.34 3i3b s GLN 1022CO 0.15 0.34 2.05 1.17 -2.12 0.00 0.00 175.29 176.87