#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r n LYS 2 N 0.00 0.47 -2.16 4.33 2.85 -1.26 -4.80 118.16 117.59 1n8r n LYS 2 Ca 0.00 -0.01 -0.43 0.00 -1.05 0.00 0.00 58.31 56.82 1n8r n LYS 2 Cb 0.00 -1.65 -0.02 0.00 -0.65 0.00 0.00 35.03 32.71 1n8r n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1n8r s GLN 3 N -3.32 3.92 0.26 -1.58 -0.21 -1.26 -4.94 119.66 112.52 1n8r s GLN 3 Ca -0.00 1.71 -0.11 0.00 0.02 0.00 0.00 55.36 56.97 1n8r s GLN 3 Cb 0.13 -3.98 0.37 0.00 1.00 0.00 0.00 33.01 30.53 1n8r s GLN 3 CO 0.83 -1.14 1.57 -1.35 -2.12 0.00 0.00 175.29 173.07 1n8r h PRO 4 N 10.12 -0.01 -0.40 2.91 0.11 -1.99 -1.03 132.00 141.71 1n8r h PRO 4 Ca -0.33 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.84 1n8r h PRO 4 Cb 1.15 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 1n8r h PRO 4 CO 0.99 -0.01 0.08 -0.44 -0.21 0.00 0.00 178.00 178.42 1n8r h ASP 5 N -0.01 0.01 -0.49 -2.05 5.19 -2.00 -0.47 116.42 116.61 1n8r h ASP 5 Ca 0.42 0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.84 1n8r h ASP 5 Cb 0.66 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.25 1n8r h ASP 5 CO -0.96 0.04 0.06 0.11 -3.12 0.00 0.00 179.24 175.37 1n8r h LYS 6 N 0.21 0.82 0.07 3.56 1.57 -1.64 -1.09 116.57 120.07 1n8r h LYS 6 Ca 0.19 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1n8r h LYS 6 Cb 0.23 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1n8r h LYS 6 CO -0.25 0.83 -0.11 1.96 -0.57 0.00 0.00 179.45 181.31 1n8r h GLN 7 N 0.70 -0.22 -0.49 3.15 1.08 -0.70 -1.14 115.11 117.49 1n8r h GLN 7 Ca 0.15 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1n8r h GLN 7 Cb 0.42 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1n8r h GLN 7 CO 0.01 -0.14 0.29 0.00 -0.95 0.00 0.00 178.83 178.04 1n8r h ARG 8 N -0.23 0.66 -0.17 1.46 3.08 -1.06 -2.82 114.38 115.31 1n8r h ARG 8 Ca 0.02 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1n8r h ARG 8 Cb 0.24 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1n8r h ARG 8 CO -0.06 0.48 -0.11 -0.22 -1.07 0.00 0.00 179.97 179.00 1n8r h LYS 9 N 0.65 -0.10 0.00 0.04 3.64 -0.85 -1.47 116.57 118.48 1n8r h LYS 9 Ca 0.17 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1n8r h LYS 9 Cb -0.01 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1n8r h LYS 9 CO -0.03 -0.06 -0.06 0.66 -2.27 0.00 0.00 179.45 177.68 1n8r h SER 10 N -0.10 0.00 0.02 4.20 4.64 -1.13 -0.03 113.55 121.16 1n8r h SER 10 Ca 0.10 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.25 1n8r h SER 10 Cb 0.25 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1n8r h SER 10 CO -0.23 0.06 -0.69 1.56 -0.87 0.00 0.00 176.83 176.66 1n8r h GLN 11 N 0.00 0.43 0.00 4.77 4.20 -1.11 -2.62 115.11 120.79 1n8r h GLN 11 Ca -0.00 -0.49 -0.06 0.00 0.06 0.00 0.00 58.65 58.15 1n8r h GLN 11 Cb 0.16 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1n8r h GLN 11 CO 0.01 1.15 -0.29 0.00 -0.67 0.00 0.00 178.83 179.03 1n8r h ARG 12 N -0.07 0.00 -0.31 1.46 3.08 -0.82 -3.23 114.38 114.49 1n8r h ARG 12 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1n8r h ARG 12 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.46 1n8r h ARG 12 CO 0.14 0.29 0.00 0.54 -1.07 0.00 0.00 179.97 179.87 1n8r n ARG 13 N -3.37 2.92 -2.12 0.04 1.74 -0.07 -5.00 116.66 110.79 1n8r n ARG 13 Ca 0.01 -2.41 -0.41 0.00 -0.77 0.00 0.00 57.85 54.26 1n8r n ARG 13 Cb 0.50 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.39 1n8r n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n8r s ALA 14 N -1.82 3.56 0.97 7.54 0.00 -0.99 -4.97 121.76 126.06 1n8r s ALA 14 Ca 0.32 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 53.38 1n8r s ALA 14 Cb 0.22 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.95 1n8r s ALA 14 CO 0.13 -0.63 0.78 -2.30 0.00 0.00 0.00 175.76 173.73 1n8r n PRO 15 N 2.22 -0.70 -0.13 0.00 -0.02 -1.26 -4.72 135.00 130.39 1n8r n PRO 15 Ca 0.05 -0.15 -0.06 0.00 -2.02 0.00 0.00 63.50 61.32 1n8r n PRO 15 Cb 0.42 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1n8r n PRO 15 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1n8r h LEU 16 N -1.88 -0.88 -1.12 2.45 3.38 -1.96 -0.94 115.31 114.37 1n8r h LEU 16 Ca -0.46 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1n8r h LEU 16 Cb 1.29 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1n8r h LEU 16 CO 0.39 -0.28 0.00 1.12 0.09 0.00 0.00 178.44 179.77 1n8r h HIS 17 N -0.18 0.00 -0.06 1.13 2.07 -2.00 0.10 115.15 116.21 1n8r h HIS 17 Ca 0.20 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.72 1n8r h HIS 17 Cb 0.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.47 1n8r h HIS 17 CO -0.50 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 174.75 1n8r n GLU 18 N -2.31 1.83 0.01 5.12 1.02 -0.37 -3.78 120.64 122.15 1n8r n GLU 18 Ca 0.00 -1.21 0.12 0.00 -0.02 0.00 0.00 57.16 56.05 1n8r n GLU 18 Cb 0.14 -1.46 0.16 0.00 -0.02 0.00 0.00 31.44 30.26 1n8r n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1n8r n ARG 19 N 0.46 0.06 -0.34 3.49 1.74 0.35 -3.99 116.66 118.43 1n8r n ARG 19 Ca 0.18 0.01 -0.01 0.00 -0.77 0.00 0.00 57.85 57.26 1n8r n ARG 19 Cb 0.40 -1.52 0.12 0.00 -1.02 0.00 0.00 32.46 30.44 1n8r n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1n8r h HIS 20 N 0.00 1.12 0.00 -1.55 3.86 -1.65 0.47 115.15 117.39 1n8r h HIS 20 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1n8r h HIS 20 Cb 0.55 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1n8r h HIS 20 CO 0.00 0.64 0.00 0.36 0.86 0.00 0.00 177.93 179.79 1n8r n LYS 21 N -4.51 0.01 0.00 2.45 2.85 -1.26 -1.51 118.16 116.20 1n8r n LYS 21 Ca 0.12 0.32 0.12 0.00 -1.05 0.00 0.00 58.31 57.82 1n8r n LYS 21 Cb 0.10 -1.50 0.30 0.00 -0.65 0.00 0.00 35.03 33.27 1n8r n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1n8r n GLN 22 N -1.48 0.59 -0.96 -1.58 6.02 0.15 -3.85 117.38 116.27 1n8r n GLN 22 Ca 0.03 -0.36 -0.05 0.00 -0.01 0.00 0.00 57.00 56.60 1n8r n GLN 22 Cb 0.11 -1.49 0.17 0.00 1.02 0.00 0.00 30.24 30.05 1n8r n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1n8r n VAL 23 N -0.89 2.47 -3.39 5.09 0.24 -0.57 -4.76 118.33 116.53 1n8r n VAL 23 Ca 0.10 -3.19 -0.30 0.00 -2.04 0.00 0.00 64.34 58.91 1n8r n VAL 23 Cb 0.35 -0.46 -0.04 0.00 -1.47 0.00 0.00 33.84 32.22 1n8r n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1n8r s ARG 24 N -3.33 3.68 0.03 7.34 0.52 -1.25 -2.23 118.95 123.70 1n8r s ARG 24 Ca 0.44 0.07 0.01 0.00 -0.52 0.00 0.00 55.73 55.73 1n8r s ARG 24 Cb 0.40 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 33.18 1n8r s ARG 24 CO -0.02 0.26 -0.04 0.00 0.02 0.00 0.00 175.30 175.52 1n8r s ALA 25 N -1.97 0.27 0.48 2.13 0.00 -0.24 -4.13 121.76 118.31 1n8r s ALA 25 Ca 0.45 -0.68 -0.23 0.00 0.00 0.00 0.00 51.96 51.49 1n8r s ALA 25 Cb -0.11 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.07 1n8r s ALA 25 CO 0.27 -0.14 1.30 -0.08 0.00 0.00 0.00 175.76 177.11 1n8r s THR 26 N -1.61 2.49 0.17 0.00 -1.32 -1.23 -1.23 115.64 112.91 1n8r s THR 26 Ca -0.13 0.38 -0.07 0.00 -1.21 0.00 0.00 61.69 60.67 1n8r s THR 26 Cb -0.09 -3.20 -0.06 0.00 -1.51 0.00 0.00 72.50 67.64 1n8r s THR 26 CO -0.01 0.01 0.44 -0.76 -2.21 0.00 0.00 174.62 172.09 1n8r s LEU 27 N -3.10 4.24 0.88 9.08 1.43 0.28 -1.88 118.68 129.61 1n8r s LEU 27 Ca 0.65 0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 54.37 1n8r s LEU 27 Cb -0.37 -3.41 0.12 0.00 0.03 0.00 0.00 46.19 42.57 1n8r s LEU 27 CO 0.45 0.02 1.17 -0.94 0.23 0.00 0.00 176.35 177.28 1n8r s SER 28 N -2.34 3.14 0.21 2.29 1.04 -1.00 -4.60 113.70 112.45 1n8r s SER 28 Ca 0.42 2.26 -0.09 0.00 0.48 0.00 0.00 55.95 59.02 1n8r s SER 28 Cb -0.12 -2.58 0.31 0.00 0.10 0.00 0.00 66.02 63.73 1n8r s SER 28 CO 0.23 -2.96 1.71 0.00 0.98 0.00 0.00 173.24 173.20 1n8r h ALA 29 N -1.53 0.75 0.02 5.32 0.00 -1.97 -0.41 119.26 121.44 1n8r h ALA 29 Ca -0.44 0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1n8r h ALA 29 Cb 1.28 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1n8r h ALA 29 CO 0.43 -0.29 -0.10 -0.44 0.00 0.00 0.00 179.25 178.85 1n8r h ASP 30 N 0.29 -0.28 -0.60 0.00 3.32 -1.99 -2.21 116.42 114.96 1n8r h ASP 30 Ca 0.32 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.43 1n8r h ASP 30 Cb 0.48 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1n8r h ASP 30 CO -0.40 -0.14 0.38 -0.07 -1.72 0.00 0.00 179.24 177.29 1n8r h LEU 31 N -0.18 0.63 -1.16 1.55 3.38 -1.72 -0.86 115.31 116.94 1n8r h LEU 31 Ca 0.03 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1n8r h LEU 31 Cb 0.21 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1n8r h LEU 31 CO -0.08 0.45 0.56 0.03 0.09 0.00 0.00 178.44 179.48 1n8r h ARG 32 N 0.75 1.12 -0.22 1.13 3.08 -0.97 -0.27 114.38 119.00 1n8r h ARG 32 Ca 0.23 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1n8r h ARG 32 Cb -0.02 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.77 1n8r h ARG 32 CO -0.08 0.74 0.04 1.49 -1.07 0.00 0.00 179.97 181.10 1n8r h GLU 33 N 1.15 0.36 -0.55 0.04 4.57 -0.76 0.98 114.58 120.38 1n8r h GLU 33 Ca 0.31 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.32 1n8r h GLU 33 Cb -0.13 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 1n8r h GLU 33 CO -0.07 0.49 0.02 1.49 -1.18 0.00 0.00 179.01 179.77 1n8r h GLU 34 N 0.17 0.93 -0.01 1.92 4.81 -0.57 -3.32 114.58 118.50 1n8r h GLU 34 Ca 0.07 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1n8r h GLU 34 Cb 0.30 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1n8r h GLU 34 CO 0.00 0.90 -0.14 0.66 -0.73 0.00 0.00 179.01 179.71 1n8r n TYR 35 N -4.20 0.00 -3.24 0.92 4.02 -0.17 -5.02 117.16 109.46 1n8r n TYR 35 Ca 0.03 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.76 1n8r n TYR 35 Cb 0.31 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.69 1n8r n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n8r n GLY 36 N 0.75 -0.09 3.07 2.72 0.00 0.34 -4.81 105.19 107.16 1n8r n GLY 36 Ca 0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1n8r n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n8r s GLN 37 N -5.84 0.56 -0.03 1.61 -0.21 -1.22 -5.06 119.66 109.46 1n8r s GLN 37 Ca 0.38 -0.92 0.15 0.00 0.02 0.00 0.00 55.36 54.99 1n8r s GLN 37 Cb -0.17 -0.11 -0.21 0.00 1.00 0.00 0.00 33.01 33.52 1n8r s GLN 37 CO 0.51 -0.01 0.62 -2.13 -2.12 0.00 0.00 175.29 172.16 1n8r n ARG 38 N 0.97 0.64 -4.15 2.91 0.63 -1.26 -4.27 116.66 112.12 1n8r n ARG 38 Ca -0.19 0.22 -0.17 0.00 -0.92 0.00 0.00 57.85 56.79 1n8r n ARG 38 Cb 0.57 -1.75 -0.05 0.00 0.45 0.00 0.00 32.46 31.68 1n8r n ARG 38 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1n8r s ASN 39 N -5.87 1.29 0.12 6.15 4.22 -1.26 -0.56 114.94 119.04 1n8r s ASN 39 Ca -0.05 -1.63 -0.15 0.00 -2.14 0.00 0.00 52.86 48.90 1n8r s ASN 39 Cb 0.08 0.65 0.03 0.00 1.28 0.00 0.00 41.25 43.29 1n8r s ASN 39 CO 0.82 -1.26 0.37 0.54 -2.04 0.00 0.00 177.10 175.53 1n8r s VAL 40 N -3.03 0.08 -0.68 3.54 0.11 -0.36 -4.81 120.40 115.25 1n8r s VAL 40 Ca 0.34 -0.73 -0.27 0.00 -2.93 0.00 0.00 61.98 58.40 1n8r s VAL 40 Cb 0.00 -1.25 0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1n8r s VAL 40 CO 0.24 -0.36 1.20 -0.60 -3.33 0.00 0.00 175.10 172.25 1n8r s ARG 41 N -3.82 3.27 -0.12 1.54 3.52 -1.17 -1.08 118.95 121.09 1n8r s ARG 41 Ca 0.04 -0.19 -0.40 0.00 -0.13 0.00 0.00 55.73 55.06 1n8r s ARG 41 Cb 0.02 -4.13 -0.18 0.00 -1.56 0.00 0.00 34.95 29.10 1n8r s ARG 41 CO -0.11 -1.95 1.39 0.28 -0.81 0.00 0.00 175.30 174.11 1n8r n VAL 42 N 6.39 0.06 -4.23 7.11 0.31 -0.95 -4.96 118.33 122.06 1n8r n VAL 42 Ca 0.04 -0.01 -0.26 0.00 -0.01 0.00 0.00 64.34 64.09 1n8r n VAL 42 Cb 0.48 -0.61 -0.08 0.00 -0.91 0.00 0.00 33.84 32.73 1n8r n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1n8r s ASN 43 N 1.41 4.67 0.00 4.52 0.01 -1.26 -4.98 114.94 119.30 1n8r s ASN 43 Ca 0.93 -0.46 0.01 0.00 -0.71 0.00 0.00 52.86 52.63 1n8r s ASN 43 Cb -1.16 -0.95 0.05 0.00 0.41 0.00 0.00 41.25 39.59 1n8r s ASN 43 CO 0.60 0.08 0.25 0.00 -1.51 0.00 0.00 177.10 176.52 1n8r n ALA 44 N -0.22 1.67 -0.02 0.60 0.00 -1.26 -1.69 120.51 119.59 1n8r n ALA 44 Ca -0.09 -0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.36 1n8r n ALA 44 Cb 0.56 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 1n8r n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8r n GLY 45 N -0.39 -0.42 3.74 0.00 0.00 -1.25 -4.48 105.19 102.38 1n8r n GLY 45 Ca 0.01 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1n8r n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n8r s ASP 46 N -3.36 4.01 0.01 1.61 1.01 -0.68 -4.35 116.67 114.92 1n8r s ASP 46 Ca -0.04 1.89 0.01 0.00 0.71 0.00 0.00 52.55 55.12 1n8r s ASP 46 Cb 0.05 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 1n8r s ASP 46 CO 0.38 -2.36 0.05 -0.89 0.21 0.00 0.00 175.17 172.55 1n8r s THR 47 N -2.84 4.48 -0.01 -1.27 2.01 0.31 -0.77 115.64 117.54 1n8r s THR 47 Ca 0.63 -0.55 -0.12 0.00 0.31 0.00 0.00 61.69 61.96 1n8r s THR 47 Cb -0.19 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.29 1n8r s THR 47 CO 0.57 0.32 0.24 -0.69 -0.69 0.00 0.00 174.62 174.36 1n8r s VAL 48 N -1.19 0.06 -0.16 3.82 1.01 0.07 -1.35 120.40 122.67 1n8r s VAL 48 Ca 0.23 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 1n8r s VAL 48 Cb -0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 1n8r s VAL 48 CO 0.14 -0.29 -0.10 -1.83 0.00 0.00 0.00 175.10 173.02 1n8r s GLU 49 N -1.25 3.41 -0.24 2.72 -1.05 0.17 -1.87 118.70 120.59 1n8r s GLU 49 Ca -0.13 -0.65 -0.29 0.00 -0.15 0.00 0.00 54.97 53.75 1n8r s GLU 49 Cb -0.06 -2.76 -0.01 0.00 -0.44 0.00 0.00 34.13 30.86 1n8r s GLU 49 CO 0.03 0.10 1.41 0.08 0.95 0.00 0.00 175.26 177.84 1n8r s VAL 50 N 0.65 4.00 -2.41 1.83 1.01 0.15 -1.60 120.40 124.03 1n8r s VAL 50 Ca -0.05 1.14 0.20 0.00 0.00 0.00 0.00 61.98 63.27 1n8r s VAL 50 Cb -0.15 -3.96 0.13 0.00 0.00 0.00 0.00 36.38 32.40 1n8r s VAL 50 CO 0.02 -0.35 1.12 0.18 0.00 0.00 0.00 175.10 176.07 1n8r n LEU 51 N 7.70 2.55 0.00 3.92 4.77 -0.45 0.29 117.00 135.78 1n8r n LEU 51 Ca 0.16 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1n8r n LEU 51 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1n8r n LEU 51 CO 0.62 0.44 0.00 0.54 -1.33 0.00 0.00 177.39 177.67 1n8r n ARG 52 N 0.94 0.00 0.00 3.23 5.12 -1.22 -4.86 116.66 119.87 1n8r n ARG 52 Ca 0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 1n8r n ARG 52 Cb 0.49 -0.39 0.00 0.00 -1.16 0.00 0.00 32.46 31.40 1n8r n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1n8r n GLY 53 N 1.32 -3.04 0.08 -0.13 0.00 -1.26 -4.60 105.19 97.57 1n8r n GLY 53 Ca 0.00 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 44.93 1n8r n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n8r n ASP 54 N 0.00 0.46 -1.07 1.61 10.43 -1.26 -2.15 116.55 124.57 1n8r n ASP 54 Ca 0.00 0.58 0.10 0.00 2.57 0.00 0.00 54.79 58.04 1n8r n ASP 54 Cb 0.00 -0.69 0.24 0.00 1.84 0.00 0.00 41.12 42.51 1n8r n ASP 54 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1n8r n PHE 55 N -1.98 0.69 -1.60 1.24 3.01 -1.26 -5.00 117.46 112.56 1n8r n PHE 55 Ca 0.04 -0.42 -0.48 0.00 1.01 0.00 0.00 57.45 57.59 1n8r n PHE 55 Cb 0.28 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.71 1n8r n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n8r n ALA 56 N 1.26 -0.39 0.00 4.37 0.00 -0.91 -1.10 120.51 123.73 1n8r n ALA 56 Ca 0.19 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1n8r n ALA 56 Cb 0.55 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1n8r n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8r n GLY 57 N 2.13 2.91 3.78 0.00 0.00 0.83 -4.94 105.19 109.90 1n8r n GLY 57 Ca 0.15 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 1n8r n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8r s GLU 58 N 0.00 3.20 0.15 1.61 2.02 -0.26 -4.72 118.70 120.71 1n8r s GLU 58 Ca 0.00 1.37 0.08 0.00 0.02 0.00 0.00 54.97 56.44 1n8r s GLU 58 Cb 0.00 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 1n8r s GLU 58 CO 0.00 -0.93 -0.18 -1.21 0.02 0.00 0.00 175.26 172.96 1n8r s GLU 59 N -3.82 1.21 -0.13 1.61 2.02 -1.26 -0.67 118.70 117.66 1n8r s GLU 59 Ca 0.67 -1.33 -0.34 0.00 0.02 0.00 0.00 54.97 53.99 1n8r s GLU 59 Cb -0.19 -1.28 0.14 0.00 0.10 0.00 0.00 34.13 32.90 1n8r s GLU 59 CO 0.34 0.27 1.39 0.20 0.02 0.00 0.00 175.26 177.48 1n8r s GLY 60 N -2.49 -0.41 0.11 -1.39 0.00 -0.78 -4.99 107.32 97.37 1n8r s GLY 60 Ca 0.13 1.16 -0.23 0.00 0.00 0.00 0.00 44.72 45.78 1n8r s GLY 60 CO 0.06 0.29 0.68 1.85 0.00 0.00 0.00 173.10 175.98 1n8r s GLU 61 N -2.12 4.41 -0.44 2.90 2.12 -1.26 -0.75 118.70 123.55 1n8r s GLU 61 Ca 0.14 0.96 -0.28 0.00 0.36 0.00 0.00 54.97 56.15 1n8r s GLU 61 Cb 0.05 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 1n8r s GLU 61 CO -0.05 0.56 1.65 0.08 -0.54 0.00 0.00 175.26 176.96 1n8r s VAL 62 N -0.98 3.61 -0.10 3.70 1.01 0.05 -1.05 120.40 126.65 1n8r s VAL 62 Ca 0.33 0.57 0.14 0.00 0.00 0.00 0.00 61.98 63.02 1n8r s VAL 62 Cb -0.21 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1n8r s VAL 62 CO 0.23 -0.71 1.33 0.40 0.00 0.00 0.00 175.10 176.34 1n8r h ILE 63 N 6.67 0.99 -2.14 2.22 1.08 -0.97 -3.34 117.51 122.02 1n8r h ILE 63 Ca -0.30 -2.44 -0.06 0.00 -0.39 0.00 0.00 64.86 61.67 1n8r h ILE 63 Cb 1.14 2.47 -0.19 0.00 -3.07 0.00 0.00 36.82 37.17 1n8r h ILE 63 CO 1.10 0.57 0.14 0.21 -0.69 0.00 0.00 178.15 179.48 1n8r s ASN 64 N -6.43 -0.61 -0.21 1.72 2.47 -1.12 -4.95 114.94 105.82 1n8r s ASN 64 Ca 0.02 0.63 -0.03 0.00 0.42 0.00 0.00 52.86 53.90 1n8r s ASN 64 Cb 0.08 0.52 0.07 0.00 -1.45 0.00 0.00 41.25 40.47 1n8r s ASN 64 CO 0.77 -0.61 0.06 -0.69 -3.72 0.00 0.00 177.10 172.91 1n8r s VAL 65 N -1.30 0.39 -0.36 -5.21 1.01 -1.26 -0.67 120.40 113.00 1n8r s VAL 65 Ca -0.11 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 1n8r s VAL 65 Cb -0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1n8r s VAL 65 CO 0.09 -0.31 0.34 -0.62 0.00 0.00 0.00 175.10 174.59 1n8r s ASP 66 N 1.91 6.15 0.23 3.32 -1.08 0.03 -4.95 116.67 122.28 1n8r s ASP 66 Ca 0.01 -0.39 0.03 0.00 -0.52 0.00 0.00 52.55 51.68 1n8r s ASP 66 Cb -0.17 -2.18 0.24 0.00 -1.46 0.00 0.00 42.92 39.35 1n8r s ASP 66 CO -0.12 -0.36 1.56 -0.07 0.52 0.00 0.00 175.17 176.70 1n8r h LEU 67 N 8.72 0.35 0.77 -1.34 3.38 -1.94 0.15 115.31 125.39 1n8r h LEU 67 Ca -0.29 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1n8r h LEU 67 Cb 1.14 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.80 1n8r h LEU 67 CO 0.70 0.84 -0.37 -0.78 0.09 0.00 0.00 178.44 178.92 1n8r h ASP 68 N 0.23 -0.88 -0.04 -0.43 1.82 -1.96 -3.07 116.42 112.10 1n8r h ASP 68 Ca -0.00 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1n8r h ASP 68 Cb 1.07 0.23 0.00 0.00 0.68 0.00 0.00 39.33 41.31 1n8r h ASP 68 CO 0.09 -0.53 0.00 0.29 -1.61 0.00 0.00 179.24 177.48 1n8r n LYS 69 N -5.48 1.19 -4.10 0.28 5.02 -1.24 -4.94 118.16 108.90 1n8r n LYS 69 Ca -0.13 -0.29 -0.41 0.00 -2.02 0.00 0.00 58.31 55.45 1n8r n LYS 69 Cb 0.42 -1.32 -0.01 0.00 -0.02 0.00 0.00 35.03 34.10 1n8r n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n8r n ALA 70 N -0.50 -2.44 -2.75 7.82 0.00 0.43 -4.95 120.51 118.12 1n8r n ALA 70 Ca 0.15 -0.51 -0.09 0.00 0.00 0.00 0.00 53.44 52.98 1n8r n ALA 70 Cb 0.14 -2.24 -0.09 0.00 0.00 0.00 0.00 19.45 17.25 1n8r n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n8r s VAL 71 N -3.75 0.13 0.17 0.00 1.01 -0.72 -4.65 120.40 112.59 1n8r s VAL 71 Ca 0.35 -1.07 0.09 0.00 0.00 0.00 0.00 61.98 61.35 1n8r s VAL 71 Cb -0.19 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1n8r s VAL 71 CO 0.97 -0.59 -0.19 0.27 0.00 0.00 0.00 175.10 175.56 1n8r s ILE 72 N -2.52 1.93 -0.18 2.22 -4.36 -0.73 -0.79 121.20 116.77 1n8r s ILE 72 Ca -0.06 -1.96 -0.05 0.00 -0.26 0.00 0.00 60.65 58.32 1n8r s ILE 72 Cb -0.02 -1.91 -0.03 0.00 1.25 0.00 0.00 42.46 41.75 1n8r s ILE 72 CO -0.04 -0.29 0.01 -1.00 0.24 0.00 0.00 174.94 173.85 1n8r s HIS 73 N -2.02 3.09 -0.04 1.37 3.76 0.16 -1.64 115.29 119.97 1n8r s HIS 73 Ca 0.17 -0.25 0.06 0.00 -0.15 0.00 0.00 55.06 54.89 1n8r s HIS 73 Cb -0.06 -2.05 -0.02 0.00 1.11 0.00 0.00 32.58 31.56 1n8r s HIS 73 CO 0.07 -0.07 -0.21 0.08 -0.85 0.00 0.00 174.74 173.77 1n8r s VAL 74 N 0.63 2.51 0.21 -0.90 1.01 -1.26 -0.42 120.40 122.18 1n8r s VAL 74 Ca 0.00 -0.93 -0.32 0.00 0.00 0.00 0.00 61.98 60.73 1n8r s VAL 74 Cb -0.14 -1.93 -0.12 0.00 0.00 0.00 0.00 36.38 34.19 1n8r s VAL 74 CO 0.02 0.58 1.68 1.21 0.00 0.00 0.00 175.10 178.60 1n8r n GLU 75 N 2.42 2.66 -0.09 2.72 2.13 -0.21 -1.80 120.64 128.47 1n8r n GLU 75 Ca -0.17 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1n8r n GLU 75 Cb 0.52 -2.78 0.00 0.00 0.27 0.00 0.00 31.44 29.44 1n8r n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1n8r n ASP 76 N 3.64 0.00 -4.50 4.31 8.00 -1.26 -4.62 116.55 122.12 1n8r n ASP 76 Ca 0.15 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.23 1n8r n ASP 76 Cb 0.34 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.41 1n8r n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1n8r s VAL 77 N -3.06 4.37 0.32 2.53 1.01 -0.74 -4.94 120.40 119.89 1n8r s VAL 77 Ca 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.73 1n8r s VAL 77 Cb 0.00 -4.93 -0.03 0.00 0.00 0.00 0.00 36.38 31.42 1n8r s VAL 77 CO 0.00 -1.72 0.17 0.42 0.00 0.00 0.00 175.10 173.97 1n8r s THR 78 N 3.69 0.33 0.04 3.92 -4.23 -1.26 -1.35 115.64 116.78 1n8r s THR 78 Ca 0.40 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.97 1n8r s THR 78 Cb -0.02 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.31 1n8r s THR 78 CO -0.08 0.00 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.05 1n8r s LEU 79 N -3.41 2.16 -0.35 4.79 1.43 0.49 -4.74 118.68 119.05 1n8r s LEU 79 Ca 0.34 -0.49 -0.25 0.00 -1.03 0.00 0.00 54.13 52.70 1n8r s LEU 79 Cb 0.04 -0.89 0.01 0.00 0.03 0.00 0.00 46.19 45.39 1n8r s LEU 79 CO 0.18 0.14 0.89 -0.70 0.23 0.00 0.00 176.35 177.09 1n8r s GLU 80 N -1.11 3.88 0.93 1.70 2.56 -1.26 -1.46 118.70 123.95 1n8r s GLU 80 Ca 0.06 0.59 -0.15 0.00 0.00 0.00 0.00 54.97 55.47 1n8r s GLU 80 Cb -0.08 -3.78 0.17 0.00 2.00 0.00 0.00 34.13 32.44 1n8r s GLU 80 CO 0.01 -0.86 1.26 0.15 -0.56 0.00 0.00 175.26 175.26 1n8r s LYS 81 N 3.30 0.90 0.14 4.30 1.02 -0.04 -4.95 119.74 124.40 1n8r s LYS 81 Ca 0.36 -0.20 -0.12 0.00 0.02 0.00 0.00 55.97 56.03 1n8r s LYS 81 Cb -0.13 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.31 1n8r s LYS 81 CO 0.16 -2.27 1.53 1.15 -0.92 0.00 0.00 175.35 175.00 1n8r h THR 82 N -1.54 1.28 0.00 2.17 2.02 -1.97 -2.79 112.91 112.07 1n8r h THR 82 Ca -0.45 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.45 1n8r h THR 82 Cb 1.27 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1n8r h THR 82 CO 0.47 0.43 0.00 -0.90 0.37 0.00 0.00 175.52 175.89 1n8r n ASP 83 N -4.25 0.00 0.00 4.18 5.68 -1.26 -4.84 116.55 116.07 1n8r n ASP 83 Ca -0.01 -0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.00 1n8r n ASP 83 Cb 0.40 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1n8r n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n8r n GLY 84 N 0.26 1.68 3.72 6.12 0.00 -1.05 -5.07 105.19 110.84 1n8r n GLY 84 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1n8r n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n8r s GLU 85 N -0.85 2.03 -0.18 1.61 2.12 -1.26 -4.69 118.70 117.48 1n8r s GLU 85 Ca 0.00 1.63 -0.00 0.00 0.36 0.00 0.00 54.97 56.95 1n8r s GLU 85 Cb 0.00 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.56 1n8r s GLU 85 CO 0.00 -1.89 -0.15 -2.00 -0.54 0.00 0.00 175.26 170.68 1n8r s GLU 86 N -4.15 3.17 0.09 4.30 2.12 -1.26 -0.86 118.70 122.10 1n8r s GLU 86 Ca 0.71 -0.75 0.09 0.00 0.36 0.00 0.00 54.97 55.38 1n8r s GLU 86 Cb -0.26 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.41 1n8r s GLU 86 CO 0.48 -0.11 -0.23 0.14 -0.54 0.00 0.00 175.26 175.00 1n8r s VAL 87 N 1.12 1.91 0.50 3.70 -7.23 -0.53 -4.94 120.40 114.94 1n8r s VAL 87 Ca 0.01 -1.49 -0.23 0.00 -1.81 0.00 0.00 61.98 58.46 1n8r s VAL 87 Cb -0.14 -1.69 -0.06 0.00 0.56 0.00 0.00 36.38 35.05 1n8r s VAL 87 CO -0.05 0.11 1.30 -2.16 -0.31 0.00 0.00 175.10 173.99 1n8r s PRO 88 N -1.66 3.43 -0.45 4.82 0.04 -1.26 0.19 135.00 140.10 1n8r s PRO 88 Ca 0.09 2.10 -0.09 0.00 0.04 0.00 0.00 61.00 63.15 1n8r s PRO 88 Cb -0.10 -2.37 0.11 0.00 0.04 0.00 0.00 34.50 32.18 1n8r s PRO 88 CO 0.04 -0.92 0.31 0.50 0.04 0.00 0.00 177.00 176.97 1n8r s ARG 89 N -2.76 2.46 0.33 4.56 6.06 -0.46 -4.64 118.95 124.50 1n8r s ARG 89 Ca 0.67 -1.70 -0.25 0.00 -2.50 0.00 0.00 55.73 51.96 1n8r s ARG 89 Cb -0.37 -3.85 -0.15 0.00 0.06 0.00 0.00 34.95 30.64 1n8r s ARG 89 CO 0.45 -1.12 0.56 -2.30 -2.50 0.00 0.00 175.30 170.38 1n8r n PRO 90 N 4.88 0.47 -4.44 5.12 -0.02 -1.26 -4.79 135.00 134.96 1n8r n PRO 90 Ca -0.08 0.17 -0.21 0.00 -2.02 0.00 0.00 63.50 61.36 1n8r n PRO 90 Cb 0.41 -1.35 -0.14 0.00 -0.02 0.00 0.00 33.50 32.41 1n8r n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n8r s LEU 91 N 2.26 2.12 -0.10 2.45 1.43 -0.65 -4.95 118.68 121.24 1n8r s LEU 91 Ca 0.62 -0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 53.10 1n8r s LEU 91 Cb -0.72 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1n8r s LEU 91 CO 0.59 0.08 0.75 -0.62 0.23 0.00 0.00 176.35 177.38 1n8r s ASP 92 N -0.84 6.98 0.54 2.29 -1.08 -1.26 -1.77 116.67 121.53 1n8r s ASP 92 Ca 0.03 1.19 0.33 0.00 -0.52 0.00 0.00 52.55 53.58 1n8r s ASP 92 Cb -0.07 -2.43 1.50 0.00 -1.46 0.00 0.00 42.92 40.46 1n8r s ASP 92 CO 0.01 -0.22 1.85 0.71 0.52 0.00 0.00 175.17 178.04 1n8r h THR 93 N 4.92 0.50 0.00 1.71 1.35 -1.83 0.19 112.91 119.74 1n8r h THR 93 Ca -0.37 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1n8r h THR 93 Cb 1.18 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1n8r h THR 93 CO 0.78 0.00 0.05 -1.28 -0.25 0.00 0.00 175.52 174.82 1n8r h SER 94 N 0.01 0.00 -0.44 5.36 0.87 -1.91 0.18 113.55 117.63 1n8r h SER 94 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1n8r h SER 94 Cb 1.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.87 1n8r h SER 94 CO -0.01 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.88 1n8r n ASN 95 N -2.43 3.89 -4.29 6.23 3.02 0.66 -4.99 115.26 117.35 1n8r n ASN 95 Ca -0.02 -2.44 -0.20 0.00 -0.03 0.00 0.00 54.58 51.89 1n8r n ASN 95 Cb 0.09 -0.45 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 1n8r n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n8r s VAL 96 N -1.81 1.57 -0.06 2.41 1.01 0.64 -1.35 120.40 122.82 1n8r s VAL 96 Ca 0.39 -1.81 0.01 0.00 0.00 0.00 0.00 61.98 60.57 1n8r s VAL 96 Cb 0.26 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.98 1n8r s VAL 96 CO 0.17 -0.36 -0.06 -0.60 0.00 0.00 0.00 175.10 174.25 1n8r s ARG 97 N -2.72 1.05 -0.23 2.72 3.52 -0.63 -3.49 118.95 119.17 1n8r s ARG 97 Ca 0.12 -0.16 -0.29 0.00 -0.13 0.00 0.00 55.73 55.27 1n8r s ARG 97 Cb -0.05 -1.03 0.00 0.00 -1.56 0.00 0.00 34.95 32.31 1n8r s ARG 97 CO 0.05 -0.09 1.12 0.08 -0.81 0.00 0.00 175.30 175.64 1n8r s VAL 98 N 1.02 4.52 -0.05 7.11 1.01 -0.79 0.44 120.40 133.66 1n8r s VAL 98 Ca -0.09 1.83 0.17 0.00 0.00 0.00 0.00 61.98 63.88 1n8r s VAL 98 Cb -0.14 -4.23 -0.25 0.00 0.00 0.00 0.00 36.38 31.76 1n8r s VAL 98 CO -0.00 -0.22 0.31 0.35 0.00 0.00 0.00 175.10 175.54 1n8r n THR 99 N 5.44 0.22 -3.79 3.92 -2.24 -0.45 -2.38 114.28 114.99 1n8r n THR 99 Ca 0.13 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 1n8r n THR 99 Cb 0.46 -0.03 -0.12 0.00 -2.10 0.00 0.00 70.33 68.53 1n8r n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n8r s ASP 100 N -4.18 -0.20 -0.08 3.42 -1.08 -1.20 -4.94 116.67 108.41 1n8r s ASP 100 Ca -0.07 0.39 -0.02 0.00 -0.52 0.00 0.00 52.55 52.34 1n8r s ASP 100 Cb 0.10 0.37 -0.03 0.00 -1.46 0.00 0.00 42.92 41.90 1n8r s ASP 100 CO 0.70 -0.09 -0.00 -0.76 0.52 0.00 0.00 175.17 175.54 1n8r s LEU 101 N 0.33 3.55 -0.36 -1.34 1.43 -1.26 -0.53 118.68 120.49 1n8r s LEU 101 Ca -0.02 0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 53.02 1n8r s LEU 101 Cb -0.03 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1n8r s LEU 101 CO -0.01 0.38 0.56 -0.62 0.23 0.00 0.00 176.35 176.88 1n8r s ASP 102 N -0.88 6.34 -0.34 2.29 -1.08 -1.26 -4.89 116.67 116.85 1n8r s ASP 102 Ca 0.13 -0.03 0.06 0.00 -0.52 0.00 0.00 52.55 52.20 1n8r s ASP 102 Cb -0.11 -2.29 0.46 0.00 -1.46 0.00 0.00 42.92 39.52 1n8r s ASP 102 CO 0.02 -0.54 1.34 0.18 0.52 0.00 0.00 175.17 176.69 1n8r n LEU 103 N 5.87 5.04 0.09 -1.34 4.77 -1.26 -4.72 117.00 125.45 1n8r n LEU 103 Ca -0.04 -4.51 0.09 0.00 -0.03 0.00 0.00 56.01 51.53 1n8r n LEU 103 Cb 0.49 -0.48 0.41 0.00 -2.33 0.00 0.00 43.42 41.51 1n8r n LEU 103 CO 0.47 1.87 0.78 -0.62 -1.33 0.00 0.00 177.39 178.56 1n8r n GLU 104 N -0.82 0.12 -3.42 3.23 1.02 -1.26 -4.59 120.64 114.92 1n8r n GLU 104 Ca 0.43 0.42 -0.39 0.00 -0.02 0.00 0.00 57.16 57.60 1n8r n GLU 104 Cb 0.91 -1.75 -0.09 0.00 -0.02 0.00 0.00 31.44 30.48 1n8r n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1n8r s ASP 105 N -3.76 6.22 0.18 1.62 -1.08 -1.26 -4.95 116.67 113.64 1n8r s ASP 105 Ca 0.04 0.25 -0.13 0.00 -0.52 0.00 0.00 52.55 52.18 1n8r s ASP 105 Cb 0.08 -2.20 0.16 0.00 -1.46 0.00 0.00 42.92 39.51 1n8r s ASP 105 CO 0.29 -0.16 1.75 -0.33 0.52 0.00 0.00 175.17 177.23 1n8r h GLU 106 N 8.20 0.33 0.12 4.34 5.08 -2.00 -1.73 114.58 128.92 1n8r h GLU 106 Ca -0.32 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1n8r h GLU 106 Cb 1.17 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1n8r h GLU 106 CO 0.63 0.22 -0.17 0.87 -1.00 0.00 0.00 179.01 179.56 1n8r h LYS 107 N 0.34 -0.33 0.01 2.33 1.57 -1.95 0.67 116.57 119.20 1n8r h LYS 107 Ca 0.23 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1n8r h LYS 107 Cb 0.25 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1n8r h LYS 107 CO -0.25 -0.22 -0.16 -0.09 -0.57 0.00 0.00 179.45 178.17 1n8r h ARG 108 N -0.34 -0.26 -0.89 3.15 2.43 -1.83 -0.69 114.38 115.95 1n8r h ARG 108 Ca 0.02 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.31 1n8r h ARG 108 Cb 0.35 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.89 1n8r h ARG 108 CO -0.08 -0.17 0.57 1.49 -1.51 0.00 0.00 179.97 180.28 1n8r h GLU 109 N -0.27 0.83 -0.05 0.20 4.81 -1.21 0.43 114.58 119.32 1n8r h GLU 109 Ca 0.05 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1n8r h GLU 109 Cb 0.32 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1n8r h GLU 109 CO -0.14 0.55 0.02 0.00 -0.73 0.00 0.00 179.01 178.71 1n8r h ALA 110 N 1.56 0.07 -0.22 2.92 0.00 -0.02 -0.83 119.26 122.74 1n8r h ALA 110 Ca 0.42 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1n8r h ALA 110 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1n8r h ALA 110 CO -0.18 -0.33 0.13 0.00 0.00 0.00 0.00 179.25 178.87 1n8r h ARG 111 N -0.10 0.27 -0.22 0.00 3.08 -0.56 -0.45 114.38 116.39 1n8r h ARG 111 Ca 0.02 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.11 1n8r h ARG 111 Cb 0.20 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 1n8r h ARG 111 CO -0.00 0.18 -0.14 -0.07 -1.07 0.00 0.00 179.97 178.86 1n8r h LEU 112 N 0.28 -0.47 0.32 3.04 3.38 -0.79 -3.11 115.31 117.96 1n8r h LEU 112 Ca 0.08 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1n8r h LEU 112 Cb -0.02 0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1n8r h LEU 112 CO -0.03 -0.18 -0.15 -0.33 0.09 0.00 0.00 178.44 177.83 1n8r h GLU 113 N -0.13 -0.41 -6.18 1.13 5.08 -0.90 -3.45 114.58 109.70 1n8r h GLU 113 Ca 0.13 0.03 -0.57 0.00 -1.00 0.00 0.00 59.36 57.94 1n8r h GLU 113 Cb 0.32 0.09 0.20 0.00 0.50 0.00 0.00 28.75 29.87 1n8r h GLU 113 CO -0.30 -0.13 -1.16 -1.13 -1.00 0.00 0.00 179.01 175.29 1n8r n SER 114 N -5.17 -3.69 -0.80 1.42 3.41 -0.20 -4.89 113.62 103.69 1n8r n SER 114 Ca -0.10 0.50 0.09 0.00 -0.26 0.00 0.00 58.87 59.10 1n8r n SER 114 Cb 0.25 -0.92 0.10 0.00 -0.26 0.00 0.00 64.21 63.38 1n8r n SER 114 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1n8r n GLU 115 N 1.16 1.78 -0.03 4.33 0.28 -1.26 -4.30 120.64 122.61 1n8r n GLU 115 Ca 0.06 -1.74 0.06 0.00 -0.16 0.00 0.00 57.16 55.37 1n8r n GLU 115 Cb 0.50 -1.37 0.07 0.00 1.43 0.00 0.00 31.44 32.07 1n8r n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1n8r n ASP 116 N 1.08 2.13 -3.84 -1.84 8.00 -1.26 -4.99 116.55 115.83 1n8r n ASP 116 Ca 0.12 -1.57 -0.11 0.00 0.71 0.00 0.00 54.79 53.94 1n8r n ASP 116 Cb 0.48 -0.04 -0.09 0.00 -0.02 0.00 0.00 41.12 41.45 1n8r n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n8r s ASP 117 N -0.97 -0.02 0.06 -2.24 -1.08 -1.26 -5.17 116.67 105.99 1n8r s ASP 117 Ca 0.15 -0.21 0.09 0.00 -0.52 0.00 0.00 52.55 52.07 1n8r s ASP 117 Cb 0.10 0.26 -0.03 0.00 -1.46 0.00 0.00 42.92 41.79 1n8r s ASP 117 CO 0.15 -0.46 -0.25 -0.94 0.52 0.00 0.00 175.17 174.19 1n8r s SER 118 N -1.65 2.99 0.00 -0.34 1.04 -1.26 -4.68 113.70 109.80 1n8r s SER 118 Ca -0.11 -0.60 0.07 0.00 0.48 0.00 0.00 55.95 55.79 1n8r s SER 118 Cb -0.05 -0.25 0.06 0.00 0.10 0.00 0.00 66.02 65.88 1n8r s SER 118 CO 0.00 0.21 0.74 0.00 0.98 0.00 0.00 173.24 175.17