#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8g s ARG 12 N 0.00 0.90 0.31 1.64 3.52 -1.26 -5.18 118.95 118.88 3i8g s ARG 12 Ca 0.00 0.01 0.07 0.00 -0.13 0.00 0.00 55.73 55.68 3i8g s ARG 12 Cb 0.00 0.42 -0.03 0.00 -1.56 0.00 0.00 34.95 33.78 3i8g s ARG 12 CO 0.00 -0.28 0.29 1.14 -0.81 0.00 0.00 175.30 175.64 3i8g s GLN 13 N -1.42 2.84 -0.19 5.12 -2.07 -1.26 -4.87 119.66 117.81 3i8g s GLN 13 Ca -0.11 -1.19 -0.05 0.00 -1.82 0.00 0.00 55.36 52.19 3i8g s GLN 13 Cb -0.02 -2.55 0.09 0.00 -1.09 0.00 0.00 33.01 29.44 3i8g s GLN 13 CO 0.06 0.18 0.35 0.08 -1.32 0.00 0.00 175.29 174.64 3i8g s VAL 14 N -2.24 -0.55 0.16 3.63 1.01 -1.12 -4.98 120.40 116.30 3i8g s VAL 14 Ca 0.39 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 3i8g s VAL 14 Cb -0.07 -0.64 0.04 0.00 0.00 0.00 0.00 36.38 35.71 3i8g s VAL 14 CO 0.27 0.02 1.64 0.00 0.00 0.00 0.00 175.10 177.03 3i8g h ALA 15 N 8.22 0.71 -2.96 5.51 0.00 -1.86 -3.33 119.26 125.55 3i8g h ALA 15 Ca -0.16 -0.26 -0.65 0.00 0.00 0.00 0.00 54.91 53.84 3i8g h ALA 15 Cb 1.12 -0.20 -0.22 0.00 0.00 0.00 0.00 17.79 18.49 3i8g h ALA 15 CO 0.17 0.47 -0.62 0.45 0.00 0.00 0.00 179.25 179.73 3i8g s SER 16 N -6.32 5.19 0.00 0.00 0.15 -1.24 0.72 113.70 112.20 3i8g s SER 16 Ca -0.12 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.34 3i8g s SER 16 Cb 0.12 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 3i8g s SER 16 CO 0.82 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.84 3i8g n GLY 17 N 4.89 5.39 3.11 9.45 0.00 0.22 -4.06 105.19 124.20 3i8g n GLY 17 Ca -0.16 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 3i8g n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i8g s ARG 18 N 1.73 0.67 -0.12 1.61 3.52 -0.96 -2.83 118.95 122.58 3i8g s ARG 18 Ca 0.00 -0.94 -0.03 0.00 -0.13 0.00 0.00 55.73 54.63 3i8g s ARG 18 Cb 0.00 -0.40 0.05 0.00 -1.56 0.00 0.00 34.95 33.04 3i8g s ARG 18 CO 0.00 0.06 0.06 0.00 -0.81 0.00 0.00 175.30 174.61 3i8g s ALA 19 N -1.89 0.49 -0.17 6.12 0.00 -0.75 -0.07 121.76 125.50 3i8g s ALA 19 Ca -0.03 -0.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.69 3i8g s ALA 19 Cb -0.06 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3i8g s ALA 19 CO -0.00 -0.84 0.06 0.71 0.00 0.00 0.00 175.76 175.68 3i8g s TYR 20 N 2.08 3.26 -0.24 0.00 1.51 0.08 -1.01 117.35 123.03 3i8g s TYR 20 Ca 0.03 0.10 -0.04 0.00 -1.01 0.00 0.00 57.07 56.15 3i8g s TYR 20 Cb -0.14 -2.03 -0.00 0.00 -0.11 0.00 0.00 41.96 39.68 3i8g s TYR 20 CO -0.06 0.22 -0.02 0.42 -1.11 0.00 0.00 175.55 175.00 3i8g s ILE 21 N 0.12 3.44 -0.58 2.71 1.01 -0.73 -1.55 121.20 125.63 3i8g s ILE 21 Ca 0.05 -0.59 -0.20 0.00 0.00 0.00 0.00 60.65 59.91 3i8g s ILE 21 Cb -0.12 -2.63 0.09 0.00 0.01 0.00 0.00 42.46 39.80 3i8g s ILE 21 CO 0.01 0.33 0.73 -2.28 0.00 0.00 0.00 174.94 173.73 3i8g s HIS 22 N 1.47 2.96 -0.49 3.97 5.65 -0.05 -0.81 115.29 127.98 3i8g s HIS 22 Ca 0.04 -0.80 -0.26 0.00 0.25 0.00 0.00 55.06 54.29 3i8g s HIS 22 Cb -0.15 -3.96 0.03 0.00 -1.18 0.00 0.00 32.58 27.32 3i8g s HIS 22 CO -0.02 -1.30 0.99 0.00 -0.65 0.00 0.00 174.74 173.76 3i8g s ALA 23 N 2.89 3.19 0.14 1.58 0.00 0.15 -2.67 121.76 127.04 3i8g s ALA 23 Ca 0.14 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.37 3i8g s ALA 23 Cb -0.22 -3.74 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 3i8g s ALA 23 CO 0.08 -2.20 -0.17 0.45 0.00 0.00 0.00 175.76 173.92 3i8g s SER 24 N 2.45 2.36 0.17 0.00 0.15 -0.79 -3.71 113.70 114.34 3i8g s SER 24 Ca 0.39 -0.81 0.03 0.00 0.70 0.00 0.00 55.95 56.25 3i8g s SER 24 Cb -0.10 -0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.13 3i8g s SER 24 CO 0.26 -0.07 1.40 1.88 1.20 0.00 0.00 173.24 177.92 3i8g h TYR 25 N 3.48 0.29 0.00 3.44 -1.99 -1.94 -3.23 116.97 117.02 3i8g h TYR 25 Ca -0.42 -0.15 0.00 0.00 2.00 0.00 0.00 58.73 60.16 3i8g h TYR 25 Cb 1.20 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.89 3i8g h TYR 25 CO 0.66 0.94 -0.56 0.09 -0.00 0.00 0.00 178.16 179.30 3i8g n ASN 26 N -3.69 0.69 -3.73 3.88 3.02 -1.26 -4.58 115.26 109.59 3i8g n ASN 26 Ca -0.03 0.14 0.02 0.00 -0.03 0.00 0.00 54.58 54.68 3i8g n ASN 26 Cb 0.78 0.07 0.01 0.00 -0.61 0.00 0.00 39.78 40.03 3i8g n ASN 26 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3i8g s ASN 27 N -4.16 -0.02 -0.05 6.41 2.47 -1.22 -3.23 114.94 115.14 3i8g s ASN 27 Ca 0.07 -0.18 -0.02 0.00 0.42 0.00 0.00 52.86 53.15 3i8g s ASN 27 Cb 0.14 0.15 0.04 0.00 -1.45 0.00 0.00 41.25 40.12 3i8g s ASN 27 CO 0.71 -0.29 0.12 -0.89 -3.72 0.00 0.00 177.10 173.02 3i8g s THR 28 N -2.16 -0.05 -0.02 -5.21 2.01 -1.26 -1.89 115.64 107.07 3i8g s THR 28 Ca 0.23 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.45 3i8g s THR 28 Cb 0.02 -0.20 0.00 0.00 0.01 0.00 0.00 72.50 72.33 3i8g s THR 28 CO -0.02 0.08 -0.08 0.27 -0.69 0.00 0.00 174.62 174.18 3i8g s ILE 29 N 1.15 0.69 -0.08 1.82 -4.36 -1.09 -2.30 121.20 117.04 3i8g s ILE 29 Ca -0.09 -0.33 0.01 0.00 -0.26 0.00 0.00 60.65 59.98 3i8g s ILE 29 Cb -0.12 -0.61 -0.03 0.00 1.25 0.00 0.00 42.46 42.95 3i8g s ILE 29 CO -0.05 0.21 -0.10 0.68 0.24 0.00 0.00 174.94 175.92 3i8g s VAL 30 N 0.09 3.40 -0.07 8.37 -7.23 0.38 -0.87 120.40 124.48 3i8g s VAL 30 Ca -0.01 -0.58 -0.00 0.00 -1.81 0.00 0.00 61.98 59.57 3i8g s VAL 30 Cb -0.07 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.52 3i8g s VAL 30 CO 0.00 0.58 -0.02 0.28 -0.31 0.00 0.00 175.10 175.63 3i8g s THR 31 N -0.55 0.49 -0.24 5.32 -1.32 -0.59 0.21 115.64 118.96 3i8g s THR 31 Ca 0.08 -0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.47 3i8g s THR 31 Cb -0.12 -0.59 -0.04 0.00 -1.51 0.00 0.00 72.50 70.24 3i8g s THR 31 CO 0.02 0.26 0.09 -0.63 -2.21 0.00 0.00 174.62 172.15 3i8g s ILE 32 N 1.57 4.65 0.00 5.08 1.01 0.11 -0.74 121.20 132.88 3i8g s ILE 32 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3i8g s ILE 32 Cb -0.13 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3i8g s ILE 32 CO -0.04 0.35 0.00 0.35 0.00 0.00 0.00 174.94 175.60 3i8g n THR 33 N 4.60 0.00 -3.76 2.92 -2.24 0.90 -0.20 114.28 116.50 3i8g n THR 33 Ca -0.16 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 3i8g n THR 33 Cb 0.52 -0.52 -0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3i8g n THR 33 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3i8g n ASP 34 N -0.30 1.81 0.11 3.42 3.85 -0.24 -2.26 116.55 122.95 3i8g n ASP 34 Ca 0.00 -1.73 0.08 0.00 -0.71 0.00 0.00 54.79 52.42 3i8g n ASP 34 Cb 0.00 0.01 0.55 0.00 -1.35 0.00 0.00 41.12 40.33 3i8g n ASP 34 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.20 175.54 3i8g h PRO 35 N 0.00 0.23 0.00 0.11 0.11 -1.84 -0.77 132.00 129.84 3i8g h PRO 35 Ca -0.14 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.83 3i8g h PRO 35 Cb 0.48 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 3i8g h PRO 35 CO 0.22 0.15 -0.62 -0.44 -0.21 0.00 0.00 178.00 177.10 3i8g h ASP 36 N 0.24 0.00 0.00 -2.05 3.45 -1.95 -3.47 116.42 112.64 3i8g h ASP 36 Ca 0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 3i8g h ASP 36 Cb 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 3i8g h ASP 36 CO -0.02 0.62 0.00 0.61 -1.57 0.00 0.00 179.24 178.88 3i8g n GLY 37 N 0.48 1.31 3.71 2.75 0.00 -0.29 -5.10 105.19 108.04 3i8g n GLY 37 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3i8g n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i8g s ASN 38 N -2.00 6.76 -0.19 1.61 0.02 -1.26 -4.63 114.94 115.26 3i8g s ASN 38 Ca 0.00 0.92 -0.41 0.00 -1.02 0.00 0.00 52.86 52.35 3i8g s ASN 38 Cb 0.00 -2.33 -0.17 0.00 0.02 0.00 0.00 41.25 38.76 3i8g s ASN 38 CO 0.00 -0.08 1.52 -2.65 0.02 0.00 0.00 177.10 175.90 3i8g n PRO 39 N 3.97 0.77 -0.13 -0.60 -0.02 -1.26 -1.07 135.00 136.66 3i8g n PRO 39 Ca -0.04 0.28 -0.28 0.00 -2.02 0.00 0.00 63.50 61.44 3i8g n PRO 39 Cb 0.51 -1.89 -0.09 0.00 -0.02 0.00 0.00 33.50 32.00 3i8g n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i8g n ILE 40 N 3.51 1.42 -3.63 4.25 2.08 0.72 -4.89 119.36 122.81 3i8g n ILE 40 Ca 0.24 -0.37 -0.08 0.00 0.56 0.00 0.00 62.75 63.10 3i8g n ILE 40 Cb 0.10 -1.84 -0.02 0.00 -0.75 0.00 0.00 39.64 37.13 3i8g n ILE 40 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 3i8g s THR 41 N -2.47 0.00 0.07 1.39 -1.32 -0.76 -5.03 115.64 107.52 3i8g s THR 41 Ca -0.36 -0.44 -0.20 0.00 -1.21 0.00 0.00 61.69 59.49 3i8g s THR 41 Cb 0.14 -1.49 0.04 0.00 -1.51 0.00 0.00 72.50 69.68 3i8g s THR 41 CO 0.46 0.00 0.46 -1.66 -2.21 0.00 0.00 174.62 171.67 3i8g s TRP 42 N -3.64 -0.33 0.16 9.09 1.48 -1.26 0.08 118.94 124.53 3i8g s TRP 42 Ca 0.07 0.24 -0.06 0.00 -1.06 0.00 0.00 56.10 55.29 3i8g s TRP 42 Cb -0.03 0.30 -0.02 0.00 -1.16 0.00 0.00 33.47 32.56 3i8g s TRP 42 CO -0.03 -0.65 0.21 0.45 -4.06 0.00 0.00 176.95 172.86 3i8g s SER 43 N -2.24 0.13 0.14 -2.66 0.15 0.56 -4.84 113.70 104.93 3i8g s SER 43 Ca -0.03 -1.02 -0.25 0.00 0.70 0.00 0.00 55.95 55.36 3i8g s SER 43 Cb -0.00 0.39 0.08 0.00 -1.71 0.00 0.00 66.02 64.78 3i8g s SER 43 CO -0.05 -0.85 1.05 -0.94 1.20 0.00 0.00 173.24 173.65 3i8g s SER 44 N -3.01 -0.08 0.17 5.45 1.04 -1.26 0.14 113.70 116.15 3i8g s SER 44 Ca 0.21 -0.47 -0.29 0.00 0.48 0.00 0.00 55.95 55.88 3i8g s SER 44 Cb 0.05 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 3i8g s SER 44 CO 0.02 -0.83 1.54 1.23 0.98 0.00 0.00 173.24 176.18 3i8g h GLY 45 N 2.00 -0.72 0.57 7.32 0.00 -1.74 0.58 103.07 111.08 3i8g h GLY 45 Ca -0.26 0.75 0.06 0.00 0.00 0.00 0.00 47.33 47.88 3i8g h GLY 45 CO 0.30 -0.00 0.17 -1.33 0.00 0.00 0.00 176.54 175.68 3i8g h GLY 46 N -0.04 0.63 0.20 4.60 0.00 -1.90 -2.28 103.07 104.28 3i8g h GLY 46 Ca 0.18 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.46 3i8g h GLY 46 CO -0.91 0.02 -0.25 -2.08 0.00 0.00 0.00 176.54 173.31 3i8g h VAL 47 N 0.35 0.38 0.00 4.60 2.07 -1.27 0.27 116.25 122.66 3i8g h VAL 47 Ca 0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.75 3i8g h VAL 47 Cb 0.23 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3i8g h VAL 47 CO -0.23 0.00 0.19 0.40 0.02 0.00 0.00 177.57 177.95 3i8g h ILE 48 N -0.29 0.00 0.00 4.57 1.08 -0.54 -3.44 117.51 118.88 3i8g h ILE 48 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 3i8g h ILE 48 Cb 0.47 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 3i8g h ILE 48 CO -0.35 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.72 3i8g n GLY 49 N -1.28 2.15 3.74 5.37 0.00 0.08 -5.06 105.19 110.19 3i8g n GLY 49 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3i8g n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i8g s TYR 50 N -2.10 0.76 0.08 1.61 4.12 -0.90 -4.96 117.35 115.96 3i8g s TYR 50 Ca 0.00 0.35 -0.26 0.00 0.02 0.00 0.00 57.07 57.18 3i8g s TYR 50 Cb 0.00 -3.80 0.08 0.00 -1.52 0.00 0.00 41.96 36.72 3i8g s TYR 50 CO 0.00 -3.47 0.77 0.21 0.02 0.00 0.00 175.55 173.09 3i8g s LYS 51 N -5.68 1.07 3.48 -0.62 2.20 -1.26 -4.06 119.74 114.86 3i8g s LYS 51 Ca 0.73 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 3i8g s LYS 51 Cb -0.06 0.47 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 3i8g s LYS 51 CO 0.55 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.47 3i8g n GLY 52 N -0.32 0.68 0.32 5.54 0.00 -1.26 -3.08 105.19 107.07 3i8g n GLY 52 Ca -0.12 -0.77 0.08 0.00 0.00 0.00 0.00 46.02 45.22 3i8g n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i8g h SER 53 N 5.81 0.36 0.00 1.61 4.64 -2.01 -2.79 113.55 121.17 3i8g h SER 53 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i8g h SER 53 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3i8g h SER 53 CO 0.00 0.24 0.00 0.54 -0.87 0.00 0.00 176.83 176.74 3i8g n ARG 54 N -4.48 0.00 -0.08 4.77 1.74 -1.18 -2.09 116.66 115.35 3i8g n ARG 54 Ca 0.05 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.00 3i8g n ARG 54 Cb 0.21 -1.32 -0.14 0.00 -1.02 0.00 0.00 32.46 30.19 3i8g n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3i8g n LYS 55 N -0.72 0.68 0.00 5.56 5.02 -1.05 -4.00 118.16 123.65 3i8g n LYS 55 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3i8g n LYS 55 Cb 0.00 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 3i8g n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8g n GLY 56 N 1.89 -0.34 3.74 0.72 0.00 -0.89 -3.98 105.19 106.34 3i8g n GLY 56 Ca -0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3i8g n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i8g s THR 57 N -1.79 2.73 0.25 2.61 2.01 -1.26 -3.87 115.64 116.32 3i8g s THR 57 Ca 0.00 0.60 -0.04 0.00 0.31 0.00 0.00 61.69 62.56 3i8g s THR 57 Cb 0.00 -3.38 0.24 0.00 0.01 0.00 0.00 72.50 69.37 3i8g s THR 57 CO 0.00 0.09 1.87 1.55 -0.69 0.00 0.00 174.62 177.44 3i8g h PRO 58 N 5.25 1.05 -0.55 4.92 0.13 -1.90 0.78 132.00 141.69 3i8g h PRO 58 Ca -0.45 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.58 3i8g h PRO 58 Cb 1.22 -0.24 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 3i8g h PRO 58 CO 0.79 0.69 0.20 -0.92 -0.23 0.00 0.00 178.00 178.53 3i8g h TYR 59 N 1.08 0.80 -0.04 1.56 3.20 -1.94 -1.10 116.97 120.53 3i8g h TYR 59 Ca 0.40 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 3i8g h TYR 59 Cb 0.14 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 3i8g h TYR 59 CO -0.02 0.64 -0.02 0.00 -1.64 0.00 0.00 178.16 177.12 3i8g h ALA 60 N 1.44 0.05 -1.04 1.82 0.00 -1.52 -2.27 119.26 117.75 3i8g h ALA 60 Ca 0.19 -0.23 0.27 0.00 0.00 0.00 0.00 54.91 55.13 3i8g h ALA 60 Cb 0.18 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 3i8g h ALA 60 CO -0.01 -0.21 0.67 0.00 0.00 0.00 0.00 179.25 179.70 3i8g h ALA 61 N 0.60 2.28 -2.67 0.00 0.00 -0.53 -0.70 119.26 118.24 3i8g h ALA 61 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i8g h ALA 61 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i8g h ALA 61 CO 0.01 -0.67 0.00 0.94 0.00 0.00 0.00 179.25 179.52 3i8g n GLN 62 N -4.59 0.00 -0.43 0.00 7.27 -0.45 -2.01 117.38 117.18 3i8g n GLN 62 Ca 0.25 0.06 0.37 0.00 0.07 0.00 0.00 57.00 57.74 3i8g n GLN 62 Cb 0.88 -1.02 0.63 0.00 2.41 0.00 0.00 30.24 33.14 3i8g n GLN 62 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3i8g n LEU 63 N -0.67 0.22 0.00 1.69 4.77 -0.91 -0.69 117.00 121.41 3i8g n LEU 63 Ca 0.00 1.36 0.00 0.00 -0.03 0.00 0.00 56.01 57.34 3i8g n LEU 63 Cb 0.00 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 3i8g n LEU 63 CO 0.00 -1.49 0.39 0.00 -1.33 0.00 0.00 177.39 174.97 3i8g n ALA 64 N -2.49 -0.26 -0.33 -1.18 0.00 -0.30 -0.90 120.51 115.05 3i8g n ALA 64 Ca 0.38 0.00 0.28 0.00 0.00 0.00 0.00 53.44 54.10 3i8g n ALA 64 Cb 1.45 0.03 0.48 0.00 0.00 0.00 0.00 19.45 21.41 3i8g n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8g n ALA 65 N -1.42 0.95 0.03 0.00 0.00 0.13 0.33 120.51 120.53 3i8g n ALA 65 Ca 0.00 0.64 -0.01 0.00 0.00 0.00 0.00 53.44 54.07 3i8g n ALA 65 Cb 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 3i8g n ALA 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i8g h LEU 66 N 0.00 -0.06 -0.90 0.00 3.38 -1.13 -2.55 115.31 114.04 3i8g h LEU 66 Ca 0.63 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.77 3i8g h LEU 66 Cb 1.99 0.02 -0.16 0.00 0.09 0.00 0.00 40.66 42.59 3i8g h LEU 66 CO -0.37 -0.02 -0.26 -0.67 0.09 0.00 0.00 178.44 177.21 3i8g n ASP 67 N -2.34 -0.41 -0.23 -0.43 -0.08 0.15 0.19 116.55 113.41 3i8g n ASP 67 Ca -0.01 1.56 0.03 0.00 -1.51 0.00 0.00 54.79 54.86 3i8g n ASP 67 Cb 0.03 -0.44 0.15 0.00 2.34 0.00 0.00 41.12 43.20 3i8g n ASP 67 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3i8g h ALA 68 N 1.63 0.89 0.12 -1.67 0.00 -1.03 0.10 119.26 119.31 3i8g h ALA 68 Ca 0.40 0.13 -0.30 0.00 0.00 0.00 0.00 54.91 55.13 3i8g h ALA 68 Cb 0.62 0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.59 3i8g h ALA 68 CO -0.92 -0.27 -1.26 0.00 0.00 0.00 0.00 179.25 176.81 3i8g h ALA 69 N 1.52 -0.01 -1.02 0.00 0.00 0.17 -2.45 119.26 117.47 3i8g h ALA 69 Ca 0.37 -0.78 0.25 0.00 0.00 0.00 0.00 54.91 54.75 3i8g h ALA 69 Cb 0.56 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 3i8g h ALA 69 CO -0.42 0.69 0.64 -0.22 0.00 0.00 0.00 179.25 179.94 3i8g h LYS 70 N 0.28 0.49 0.32 0.00 3.64 0.32 0.24 116.57 121.85 3i8g h LYS 70 Ca -0.19 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 3i8g h LYS 70 Cb 1.93 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 3i8g h LYS 70 CO 0.24 0.32 -0.15 0.87 -2.27 0.00 0.00 179.45 178.46 3i8g h LYS 71 N 0.50 -0.41 -0.89 1.90 1.57 -0.78 -3.29 116.57 115.17 3i8g h LYS 71 Ca 0.60 0.03 0.24 0.00 -1.87 0.00 0.00 60.65 59.65 3i8g h LYS 71 Cb 1.33 0.09 -0.16 0.00 0.08 0.00 0.00 32.23 33.58 3i8g h LYS 71 CO -0.36 -0.16 0.09 0.00 -0.57 0.00 0.00 179.45 178.45 3i8g h ALA 72 N -0.87 1.11 -0.96 3.86 0.00 -0.64 0.52 119.26 122.28 3i8g h ALA 72 Ca -0.04 0.28 0.26 0.00 0.00 0.00 0.00 54.91 55.41 3i8g h ALA 72 Cb 0.44 0.46 -0.17 0.00 0.00 0.00 0.00 17.79 18.51 3i8g h ALA 72 CO 0.07 -0.51 0.06 0.52 0.00 0.00 0.00 179.25 179.40 3i8g h MET 73 N 0.09 0.03 -0.31 0.00 2.86 -0.66 0.30 114.93 117.25 3i8g h MET 73 Ca 0.54 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.15 3i8g h MET 73 Cb 1.07 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3i8g h MET 73 CO -0.77 0.02 0.08 0.00 1.06 0.00 0.00 176.91 177.30 3i8g h ALA 74 N 1.94 0.41 0.00 6.32 0.00 -1.01 -2.38 119.26 124.54 3i8g h ALA 74 Ca 0.59 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3i8g h ALA 74 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3i8g h ALA 74 CO -0.87 0.07 0.00 0.66 0.00 0.00 0.00 179.25 179.11 3i8g n TYR 75 N -4.66 0.00 -3.46 0.00 4.02 0.10 -4.72 117.16 108.45 3i8g n TYR 75 Ca -0.02 -0.50 -0.24 0.00 -0.01 0.00 0.00 57.90 57.13 3i8g n TYR 75 Cb 0.19 -0.30 0.06 0.00 -0.02 0.00 0.00 39.34 39.27 3i8g n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i8g n GLY 76 N 1.04 -0.54 3.74 2.72 0.00 -0.90 -2.81 105.19 108.44 3i8g n GLY 76 Ca 0.00 0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 3i8g n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i8g s MET 77 N -6.16 4.44 0.18 1.61 0.00 -0.87 -2.94 119.30 115.55 3i8g s MET 77 Ca 0.51 0.94 0.00 0.00 0.00 0.00 0.00 55.69 57.14 3i8g s MET 77 Cb -0.23 -3.38 0.00 0.00 0.00 0.00 0.00 34.83 31.22 3i8g s MET 77 CO 0.63 0.24 0.00 1.04 0.00 0.00 0.00 175.02 176.93 3i8g n GLN 78 N 3.07 0.00 -5.11 4.11 6.02 -0.61 -4.48 117.38 120.38 3i8g n GLN 78 Ca -0.03 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.64 3i8g n GLN 78 Cb 0.51 -0.28 -0.15 0.00 1.02 0.00 0.00 30.24 31.33 3i8g n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i8g s SER 79 N -5.55 3.48 -0.12 1.08 1.04 0.22 0.11 113.70 113.97 3i8g s SER 79 Ca 0.00 -0.37 -0.11 0.00 0.48 0.00 0.00 55.95 55.95 3i8g s SER 79 Cb 0.00 -0.74 0.03 0.00 0.10 0.00 0.00 66.02 65.41 3i8g s SER 79 CO 0.00 0.30 0.32 0.68 0.98 0.00 0.00 173.24 175.52 3i8g s VAL 80 N -0.48 -0.00 0.17 5.02 -7.23 0.19 -0.61 120.40 117.46 3i8g s VAL 80 Ca 0.06 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 60.01 3i8g s VAL 80 Cb -0.12 -0.46 -0.08 0.00 0.56 0.00 0.00 36.38 36.29 3i8g s VAL 80 CO 0.01 0.00 0.71 -1.81 -0.31 0.00 0.00 175.10 173.70 3i8g s ASP 81 N 0.19 7.20 -0.09 4.85 1.11 -1.13 -2.57 116.67 126.23 3i8g s ASP 81 Ca -0.00 1.48 -0.02 0.00 0.18 0.00 0.00 52.55 54.19 3i8g s ASP 81 Cb -0.02 -2.44 -0.03 0.00 1.07 0.00 0.00 42.92 41.49 3i8g s ASP 81 CO 0.00 0.16 -0.01 -0.69 1.18 0.00 0.00 175.17 175.81 3i8g s VAL 82 N -1.28 4.22 -0.26 -1.27 1.01 0.17 -1.81 120.40 121.18 3i8g s VAL 82 Ca 0.37 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 3i8g s VAL 82 Cb -0.20 -2.77 0.08 0.00 0.00 0.00 0.00 36.38 33.49 3i8g s VAL 82 CO 0.23 0.60 0.08 -0.63 0.00 0.00 0.00 175.10 175.38 3i8g s ILE 83 N -0.77 0.51 0.56 2.22 1.01 -0.18 -0.44 121.20 124.10 3i8g s ILE 83 Ca 0.12 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 3i8g s ILE 83 Cb -0.11 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 3i8g s ILE 83 CO 0.02 -0.51 0.88 0.68 0.00 0.00 0.00 174.94 176.01 3i8g s VAL 84 N 1.83 4.23 -0.27 2.92 -7.23 -0.32 -1.77 120.40 119.78 3i8g s VAL 84 Ca 0.06 0.19 -0.01 0.00 -1.81 0.00 0.00 61.98 60.40 3i8g s VAL 84 Cb -0.17 -3.65 0.15 0.00 0.56 0.00 0.00 36.38 33.27 3i8g s VAL 84 CO -0.21 -0.69 0.44 -0.13 -0.31 0.00 0.00 175.10 174.20 3i8g s ARG 85 N -4.93 0.42 0.00 4.82 0.52 0.01 -1.40 118.95 118.37 3i8g s ARG 85 Ca 0.52 0.53 0.00 0.00 -0.52 0.00 0.00 55.73 56.26 3i8g s ARG 85 Cb -0.10 -0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.16 3i8g s ARG 85 CO 0.46 -0.75 0.00 0.41 0.02 0.00 0.00 175.30 175.44 3i8g n GLY 86 N 5.38 3.20 2.02 -3.53 0.00 -1.26 0.32 105.19 111.31 3i8g n GLY 86 Ca -0.02 -1.80 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 3i8g n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i8g n THR 87 N -0.59 3.00 -0.79 2.61 -1.04 -1.26 -4.62 114.28 111.60 3i8g n THR 87 Ca 0.00 -2.00 -0.30 0.00 -2.04 0.00 0.00 64.05 59.71 3i8g n THR 87 Cb 0.00 -1.20 0.17 0.00 -1.82 0.00 0.00 70.33 67.48 3i8g n THR 87 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3i8g s GLY 88 N -0.52 1.65 0.00 3.41 0.00 -1.24 -4.87 107.32 105.76 3i8g s GLY 88 Ca 0.42 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.50 3i8g s GLY 88 CO 0.00 0.83 0.56 0.00 0.00 0.00 0.00 173.10 174.49 3i8g n ALA 89 N -4.24 -0.07 0.11 3.20 0.00 -1.25 -3.17 120.51 115.09 3i8g n ALA 89 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3i8g n ALA 89 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3i8g n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8g n GLY 90 N -0.50 0.20 0.12 0.00 0.00 -1.25 -3.76 105.19 100.00 3i8g n GLY 90 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3i8g n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i8g h ARG 91 N 1.49 -0.20 0.04 1.61 2.43 -1.92 -2.89 114.38 114.95 3i8g h ARG 91 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3i8g h ARG 91 Cb 0.09 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3i8g h ARG 91 CO 0.00 0.17 -0.27 1.49 -1.51 0.00 0.00 179.97 179.84 3i8g h GLU 92 N -0.60 -0.36 0.00 0.20 4.57 -1.83 0.06 114.58 116.61 3i8g h GLU 92 Ca -0.02 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3i8g h GLU 92 Cb 0.45 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3i8g h GLU 92 CO 0.03 -0.24 0.02 1.04 -1.18 0.00 0.00 179.01 178.68 3i8g n GLN 93 N -4.01 0.00 -0.09 1.92 1.13 -1.24 -1.26 117.38 113.83 3i8g n GLN 93 Ca -0.04 0.04 -0.17 0.00 -1.94 0.00 0.00 57.00 54.90 3i8g n GLN 93 Cb 0.21 -1.52 -0.09 0.00 0.11 0.00 0.00 30.24 28.95 3i8g n GLN 93 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i8g h ALA 94 N 1.46 0.18 0.68 -1.58 0.00 -0.76 -2.59 119.26 116.64 3i8g h ALA 94 Ca 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 54.91 53.93 3i8g h ALA 94 Cb 0.03 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3i8g h ALA 94 CO 0.00 0.57 -0.50 0.82 0.00 0.00 0.00 179.25 180.14 3i8g h ILE 95 N -1.00 0.00 -0.67 0.00 1.08 -1.04 -0.37 117.51 115.52 3i8g h ILE 95 Ca -0.23 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.37 3i8g h ILE 95 Cb 1.06 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.69 3i8g h ILE 95 CO -0.14 0.00 -0.15 0.03 -0.69 0.00 0.00 178.15 177.20 3i8g h ARG 96 N -1.13 0.01 -0.99 2.37 3.08 -1.67 0.56 114.38 116.61 3i8g h ARG 96 Ca -0.09 -0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.12 3i8g h ARG 96 Cb 0.93 -0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.88 3i8g h ARG 96 CO 0.04 0.01 0.60 0.00 -1.07 0.00 0.00 179.97 179.55 3i8g h ALA 97 N 1.66 1.57 0.00 0.04 0.00 -0.98 0.20 119.26 121.75 3i8g h ALA 97 Ca 0.33 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 3i8g h ALA 97 Cb 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3i8g h ALA 97 CO -0.68 0.05 -0.23 -0.07 0.00 0.00 0.00 179.25 178.32 3i8g h LEU 98 N 0.84 0.00 0.20 0.00 3.38 0.18 -2.33 115.31 117.57 3i8g h LEU 98 Ca 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.50 3i8g h LEU 98 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3i8g h LEU 98 CO -0.34 0.23 -0.10 1.56 0.09 0.00 0.00 178.44 179.89 3i8g h GLN 99 N 0.00 -0.26 0.00 1.13 1.08 0.10 -2.76 115.11 114.39 3i8g h GLN 99 Ca -0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3i8g h GLN 99 Cb 0.83 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 3i8g h GLN 99 CO 0.03 -0.18 0.00 0.00 -0.95 0.00 0.00 178.83 177.74 3i8g n ALA 100 N -2.14 2.12 -0.23 3.87 0.00 -1.15 -3.62 120.51 119.36 3i8g n ALA 100 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 3i8g n ALA 100 Cb 0.11 -1.21 0.10 0.00 0.00 0.00 0.00 19.45 18.45 3i8g n ALA 100 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i8g h SER 101 N 0.00 0.50 0.00 0.00 4.64 -1.11 -3.46 113.55 114.13 3i8g h SER 101 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3i8g h SER 101 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3i8g h SER 101 CO 0.00 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 3i8g n GLY 102 N -1.29 1.07 3.91 -0.77 0.00 -1.24 -4.90 105.19 101.97 3i8g n GLY 102 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3i8g n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8g s LEU 103 N 0.00 4.30 -0.13 0.99 2.01 -1.26 -4.97 118.68 119.62 3i8g s LEU 103 Ca 0.00 0.44 -0.29 0.00 0.01 0.00 0.00 54.13 54.29 3i8g s LEU 103 Cb 0.00 -3.16 -0.01 0.00 0.01 0.00 0.00 46.19 43.03 3i8g s LEU 103 CO 0.00 0.08 1.04 -1.58 1.01 0.00 0.00 176.35 176.90 3i8g s GLN 104 N -2.71 4.38 -1.16 1.70 0.74 0.30 -4.81 119.66 118.10 3i8g s GLN 104 Ca 0.38 1.43 -0.08 0.00 0.05 0.00 0.00 55.36 57.14 3i8g s GLN 104 Cb -0.12 -3.57 0.25 0.00 1.10 0.00 0.00 33.01 30.67 3i8g s GLN 104 CO 0.26 -0.40 1.52 1.33 -0.55 0.00 0.00 175.29 177.45 3i8g n VAL 105 N 4.73 4.81 0.00 1.34 0.24 -1.26 -0.63 118.33 127.55 3i8g n VAL 105 Ca 0.10 -5.28 0.00 0.00 -2.04 0.00 0.00 64.34 57.11 3i8g n VAL 105 Cb 0.48 -2.29 0.00 0.00 -1.47 0.00 0.00 33.84 30.55 3i8g n VAL 105 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i8g n LYS 106 N 2.76 0.00 -4.41 7.34 5.02 -1.06 -4.80 118.16 123.02 3i8g n LYS 106 Ca 0.31 0.14 -0.25 0.00 -2.02 0.00 0.00 58.31 56.49 3i8g n LYS 106 Cb 0.36 -0.62 -0.11 0.00 -0.02 0.00 0.00 35.03 34.64 3i8g n LYS 106 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3i8g s SER 107 N -2.89 3.25 -0.16 4.39 1.04 -1.26 -4.99 113.70 113.07 3i8g s SER 107 Ca 0.00 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.54 3i8g s SER 107 Cb 0.00 -0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.92 3i8g s SER 107 CO 0.00 0.06 -0.09 -0.63 0.98 0.00 0.00 173.24 173.56 3i8g s ILE 108 N -1.93 1.39 0.08 -1.02 1.01 -1.26 0.45 121.20 119.92 3i8g s ILE 108 Ca 0.21 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.22 3i8g s ILE 108 Cb -0.07 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3i8g s ILE 108 CO 0.10 0.26 -0.11 -0.69 0.00 0.00 0.00 174.94 174.50 3i8g s VAL 109 N 1.53 3.32 -0.37 2.92 1.01 0.41 -5.00 120.40 124.23 3i8g s VAL 109 Ca 0.02 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 60.82 3i8g s VAL 109 Cb -0.15 -2.51 0.09 0.00 0.00 0.00 0.00 36.38 33.82 3i8g s VAL 109 CO -0.09 0.20 0.12 -0.62 0.00 0.00 0.00 175.10 174.71 3i8g s ASP 110 N -1.94 5.05 -0.60 3.32 2.15 -1.26 -1.17 116.67 122.22 3i8g s ASP 110 Ca 0.19 -1.85 -0.01 0.00 0.43 0.00 0.00 52.55 51.31 3i8g s ASP 110 Cb -0.11 -1.76 0.44 0.00 -0.30 0.00 0.00 42.92 41.20 3i8g s ASP 110 CO 0.11 -0.43 2.02 -0.67 -0.17 0.00 0.00 175.17 176.02 3i8g n ASP 111 N 4.53 7.11 -4.56 -0.34 4.64 -0.50 -4.95 116.55 122.48 3i8g n ASP 111 Ca -0.04 -3.68 -0.41 0.00 -1.38 0.00 0.00 54.79 49.28 3i8g n ASP 111 Cb 0.42 -0.97 -0.04 0.00 -1.04 0.00 0.00 41.12 39.49 3i8g n ASP 111 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 3i8g n THR 112 N -0.79 0.16 -1.64 5.18 -1.04 -1.25 -4.82 114.28 110.08 3i8g n THR 112 Ca 0.58 -0.56 -0.39 0.00 -2.04 0.00 0.00 64.05 61.65 3i8g n THR 112 Cb 0.76 -2.52 0.04 0.00 -1.82 0.00 0.00 70.33 66.79 3i8g n THR 112 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3i8g n PRO 113 N 8.80 1.21 -3.66 -2.82 -0.04 -1.26 -4.94 135.00 132.28 3i8g n PRO 113 Ca 0.35 0.45 -0.07 0.00 -0.04 0.00 0.00 63.50 64.18 3i8g n PRO 113 Cb 0.45 -2.23 -0.09 0.00 -0.04 0.00 0.00 33.50 31.60 3i8g n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i8g s VAL 114 N -1.40 -0.60 0.32 0.52 0.11 -1.26 -5.01 120.40 113.07 3i8g s VAL 114 Ca 0.71 0.12 -0.29 0.00 -2.93 0.00 0.00 61.98 59.60 3i8g s VAL 114 Cb -0.45 -0.73 -0.10 0.00 -1.53 0.00 0.00 36.38 33.56 3i8g s VAL 114 CO 0.50 0.05 1.24 -2.16 -3.33 0.00 0.00 175.10 171.40 3i8g s PRO 115 N 2.45 4.44 -0.25 1.54 0.04 -1.26 -4.87 135.00 137.09 3i8g s PRO 115 Ca -0.04 2.08 -0.00 0.00 0.04 0.00 0.00 61.00 63.07 3i8g s PRO 115 Cb -0.11 -3.10 0.20 0.00 0.04 0.00 0.00 34.50 31.53 3i8g s PRO 115 CO -0.14 -0.07 1.88 0.72 0.04 0.00 0.00 177.00 179.43 3i8g n HIS 116 N 0.90 1.28 -1.12 0.56 8.25 -1.26 -4.64 115.22 119.18 3i8g n HIS 116 Ca -0.00 -1.65 0.00 0.00 -0.26 0.00 0.00 57.72 55.81 3i8g n HIS 116 Cb 0.43 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.73 3i8g n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i8g n ASN 117 N 0.39 -1.49 0.00 0.41 5.03 -1.26 -5.13 115.26 113.21 3i8g n ASN 117 Ca 0.25 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.70 3i8g n ASN 117 Cb 0.65 -0.75 0.00 0.00 -1.02 0.00 0.00 39.78 38.66 3i8g n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i8g n GLY 118 N -0.42 2.17 3.39 7.41 0.00 -1.26 -5.07 105.19 111.41 3i8g n GLY 118 Ca 0.00 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 3i8g n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8g s ARG 120 N -1.76 4.58 0.47 0.00 3.52 -1.26 -5.03 118.95 119.48 3i8g s ARG 120 Ca 0.64 1.76 -0.22 0.00 -0.13 0.00 0.00 55.73 57.78 3i8g s ARG 120 Cb -0.45 -3.26 -0.08 0.00 -1.56 0.00 0.00 34.95 29.60 3i8g s ARG 120 CO 0.59 0.07 1.11 -2.14 -0.81 0.00 0.00 175.30 174.11 3i8g s PRO 121 N -0.52 3.74 0.65 5.12 0.02 -1.26 -5.02 135.00 137.74 3i8g s PRO 121 Ca 0.49 1.59 -0.18 0.00 0.02 0.00 0.00 61.00 62.92 3i8g s PRO 121 Cb -0.30 -2.26 -0.01 0.00 0.02 0.00 0.00 34.50 31.95 3i8g s PRO 121 CO 0.36 -0.52 1.27 0.15 -0.33 0.00 0.00 177.00 177.93 3i8g s LYS 122 N -2.92 2.57 0.18 5.54 1.02 -1.26 -4.51 119.74 120.36 3i8g s LYS 122 Ca 0.66 2.00 -0.24 0.00 0.02 0.00 0.00 55.97 58.40 3i8g s LYS 122 Cb -0.23 -1.86 0.06 0.00 -0.52 0.00 0.00 37.83 35.28 3i8g s LYS 122 CO 0.28 -1.57 1.48 1.17 -0.92 0.00 0.00 175.35 175.80 3i8g n LYS 123 N -1.95 -0.34 -0.17 1.68 4.81 -1.26 -0.87 118.16 120.06 3i8g n LYS 123 Ca 0.15 1.46 -0.11 0.00 -0.87 0.00 0.00 58.31 58.94 3i8g n LYS 123 Cb 0.49 -2.16 -0.07 0.00 0.02 0.00 0.00 35.03 33.30 3i8g n LYS 123 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3i8g h LYS 124 N 0.00 -0.30 0.00 1.64 3.64 -1.88 -0.84 116.57 118.83 3i8g h LYS 124 Ca 0.23 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 3i8g h LYS 124 Cb 0.47 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3i8g h LYS 124 CO -0.92 -0.20 -0.22 0.74 -2.27 0.00 0.00 179.45 176.57 3i8g h PHE 125 N -0.31 0.00 -3.07 1.91 -1.00 -1.38 -3.35 116.94 109.74 3i8g h PHE 125 Ca 0.12 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 60.52 3i8g h PHE 125 Cb 0.58 0.00 0.21 0.00 3.61 0.00 0.00 35.95 40.35 3i8g h PHE 125 CO -0.73 0.22 -0.10 1.03 -1.61 0.00 0.00 178.31 177.12 3i8g s ARG 126 N -4.38 -3.03 -0.19 1.51 0.52 -0.05 -4.76 118.95 108.57 3i8g s ARG 126 Ca -0.03 0.02 -0.37 0.00 -0.52 0.00 0.00 55.73 54.83 3i8g s ARG 126 Cb 0.15 -1.38 -0.13 0.00 0.52 0.00 0.00 34.95 34.11 3i8g s ARG 126 CO 0.68 -4.92 1.85 0.36 0.02 0.00 0.00 175.30 173.29 3i8g n LYS 127 N -5.64 1.69 0.00 3.54 -0.00 -1.26 -4.37 118.16 112.12 3i8g n LYS 127 Ca 0.14 0.61 0.00 0.00 -0.00 0.00 0.00 58.31 59.06 3i8g n LYS 127 Cb 0.61 -2.42 0.00 0.00 -0.00 0.00 0.00 35.03 33.22 3i8g n LYS 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i8g n ALA 128 N 6.41 0.00 -1.52 0.58 0.00 -1.26 -5.03 120.51 119.69 3i8g n ALA 128 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3i8g n ALA 128 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3i8g n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37