#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r s LYS 2 N 0.00 3.45 -0.17 4.33 -0.14 -1.26 -4.97 119.74 120.97 1n8r s LYS 2 Ca 0.00 1.18 0.05 0.00 -1.36 0.00 0.00 55.97 55.84 1n8r s LYS 2 Cb 0.00 -2.05 -0.14 0.00 -1.68 0.00 0.00 37.83 33.96 1n8r s LYS 2 CO 0.00 -0.70 -0.10 2.41 -0.76 0.00 0.00 175.35 176.19 1n8r n THR 3 N -1.87 1.04 -1.81 2.17 -1.04 -1.26 -4.93 114.28 106.58 1n8r n THR 3 Ca 0.08 -0.46 -0.43 0.00 -2.04 0.00 0.00 64.05 61.21 1n8r n THR 3 Cb 0.53 -1.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.01 1n8r n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1n8r s ASN 4 N -5.50 6.02 0.47 8.00 3.84 -1.26 -4.86 114.94 121.65 1n8r s ASN 4 Ca -0.20 1.97 0.14 0.00 0.21 0.00 0.00 52.86 54.98 1n8r s ASN 4 Cb 0.06 -2.52 1.07 0.00 -0.55 0.00 0.00 41.25 39.31 1n8r s ASN 4 CO 0.47 -1.50 2.05 -0.65 -2.79 0.00 0.00 177.10 174.69 1n8r h PRO 5 N 12.44 0.08 0.09 0.43 0.11 -1.98 -0.44 132.00 142.73 1n8r h PRO 5 Ca -0.40 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1n8r h PRO 5 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1n8r h PRO 5 CO 0.97 0.15 -0.05 0.00 -0.21 0.00 0.00 178.00 178.86 1n8r h ARG 6 N 0.08 -0.12 -0.85 1.05 3.08 -1.99 -1.06 114.38 114.57 1n8r h ARG 6 Ca 0.02 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.17 1n8r h ARG 6 Cb 0.16 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 1n8r h ARG 6 CO 0.01 0.36 0.55 1.25 -1.07 0.00 0.00 179.97 181.07 1n8r h LEU 7 N -0.69 0.74 -0.27 3.04 5.85 -1.88 0.57 115.31 122.67 1n8r h LEU 7 Ca -0.01 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1n8r h LEU 7 Cb 0.54 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1n8r h LEU 7 CO 0.02 0.44 0.09 -1.28 -0.34 0.00 0.00 178.44 177.37 1n8r h SER 8 N 0.82 0.38 -0.15 1.25 0.87 -1.01 -2.16 113.55 113.54 1n8r h SER 8 Ca 0.39 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1n8r h SER 8 Cb 0.41 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1n8r h SER 8 CO -0.16 0.47 0.01 0.28 -0.53 0.00 0.00 176.83 176.90 1n8r h SER 9 N 0.27 0.25 -0.48 6.23 0.02 0.05 -2.56 113.55 117.33 1n8r h SER 9 Ca 0.09 -0.28 0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1n8r h SER 9 Cb 0.22 -0.07 -0.09 0.00 0.14 0.00 0.00 62.40 62.60 1n8r h SER 9 CO -0.00 0.47 -0.12 0.25 -1.14 0.00 0.00 176.83 176.29 1n8r h LEU 10 N 0.03 -0.44 -0.55 5.07 5.85 -0.90 -0.19 115.31 124.17 1n8r h LEU 10 Ca 0.05 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1n8r h LEU 10 Cb 0.33 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1n8r h LEU 10 CO 0.00 -0.16 0.28 0.40 -0.34 0.00 0.00 178.44 178.63 1n8r h ILE 11 N 0.00 0.95 0.07 4.05 2.04 -1.27 0.17 117.51 123.52 1n8r h ILE 11 Ca 0.23 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1n8r h ILE 11 Cb 0.35 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1n8r h ILE 11 CO -0.49 0.10 -0.20 0.00 0.00 0.00 0.00 178.15 177.55 1n8r h ALA 12 N 1.30 -0.31 -0.65 1.87 0.00 -0.69 -2.22 119.26 118.57 1n8r h ALA 12 Ca 0.25 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.25 1n8r h ALA 12 Cb 0.16 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1n8r h ALA 12 CO -0.17 -0.72 0.23 -0.44 0.00 0.00 0.00 179.25 178.15 1n8r h ASP 13 N -0.36 0.19 -0.64 0.00 3.32 -0.41 0.14 116.42 118.67 1n8r h ASP 13 Ca 0.04 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.28 1n8r h ASP 13 Cb 0.40 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1n8r h ASP 13 CO -0.14 0.10 0.42 -0.07 -1.72 0.00 0.00 179.24 177.84 1n8r h LEU 14 N 0.39 0.42 0.21 1.55 3.38 -0.12 -1.85 115.31 119.29 1n8r h LEU 14 Ca 0.34 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 1n8r h LEU 14 Cb 0.47 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1n8r h LEU 14 CO -0.36 0.25 -0.10 0.11 0.09 0.00 0.00 178.44 178.43 1n8r h LYS 15 N 0.46 -0.27 -1.15 1.13 1.57 -0.22 -2.37 116.57 115.72 1n8r h LYS 15 Ca 0.29 0.02 0.32 0.00 -1.87 0.00 0.00 60.65 59.42 1n8r h LYS 15 Cb 0.54 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.82 1n8r h LYS 15 CO -0.09 0.11 0.77 1.03 -0.57 0.00 0.00 179.45 180.70 1n8r h SER 16 N -0.88 0.29 0.30 0.86 0.87 -0.64 0.13 113.55 114.47 1n8r h SER 16 Ca -0.03 0.07 -0.31 0.00 -1.23 0.00 0.00 61.79 60.29 1n8r h SER 16 Cb 0.51 0.03 0.03 0.00 -0.44 0.00 0.00 62.40 62.53 1n8r h SER 16 CO 0.05 0.01 -1.37 0.00 -0.53 0.00 0.00 176.83 174.99 1n8r h ALA 17 N 1.55 -0.07 0.00 6.23 0.00 -1.34 -2.48 119.26 123.15 1n8r h ALA 17 Ca 0.64 -0.84 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1n8r h ALA 17 Cb 1.95 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 1n8r h ALA 17 CO -0.24 0.75 -0.27 0.00 0.00 0.00 0.00 179.25 179.49 1n8r h ALA 18 N 0.28 1.35 0.00 0.00 0.00 -0.27 -1.52 119.26 119.10 1n8r h ALA 18 Ca -0.21 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1n8r h ALA 18 Cb 2.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1n8r h ALA 18 CO 0.25 0.33 -0.39 0.00 0.00 0.00 0.00 179.25 179.44 1n8r h ARG 19 N 0.00 0.00 0.00 0.00 3.08 -1.20 -3.37 114.38 112.89 1n8r h ARG 19 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n8r h ARG 19 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1n8r h ARG 19 CO 0.03 0.43 0.00 0.43 -1.07 0.00 0.00 179.97 179.79 1n8r n SER 20 N -4.63 0.00 -4.53 7.04 7.64 -0.94 -4.73 113.62 113.48 1n8r n SER 20 Ca -0.11 0.86 -0.29 0.00 1.01 0.00 0.00 58.87 60.35 1n8r n SER 20 Cb 0.32 -0.41 0.20 0.00 -1.01 0.00 0.00 64.21 63.32 1n8r n SER 20 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1n8r s SER 21 N -2.06 1.94 -0.00 6.43 0.01 -0.57 -4.89 113.70 114.56 1n8r s SER 21 Ca 0.00 1.16 0.03 0.00 1.31 0.00 0.00 55.95 58.45 1n8r s SER 21 Cb 0.00 -1.80 0.09 0.00 0.21 0.00 0.00 66.02 64.52 1n8r s SER 21 CO 0.00 -3.56 1.03 0.61 0.41 0.00 0.00 173.24 171.74 1n8r n GLY 22 N -0.64 -0.30 3.66 3.44 0.00 -1.26 -4.58 105.19 105.50 1n8r n GLY 22 Ca 0.05 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1n8r n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 23 N 0.60 -0.03 0.00 -0.02 0.00 -1.14 -4.93 105.19 99.67 1n8r n GLY 23 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1n8r n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r n ALA 24 N -2.01 1.35 -0.13 4.61 0.00 -1.26 -4.60 120.51 118.47 1n8r n ALA 24 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 1n8r n ALA 24 Cb 0.48 0.08 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 1n8r n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1n8r h VAL 25 N 0.00 1.26 -0.45 0.00 -1.51 -1.89 -0.84 116.25 112.82 1n8r h VAL 25 Ca 0.00 -1.04 0.03 0.00 -1.23 0.00 0.00 66.70 64.47 1n8r h VAL 25 Cb 0.34 1.20 -0.04 0.00 -2.13 0.00 0.00 31.29 30.67 1n8r h VAL 25 CO 0.00 0.34 0.24 -0.50 -1.23 0.00 0.00 177.57 176.42 1n8r h TRP 26 N 0.48 0.44 -0.68 5.19 -0.00 -1.86 0.54 115.95 120.05 1n8r h TRP 26 Ca 0.10 0.02 -0.06 0.00 -0.00 0.00 0.00 58.89 58.95 1n8r h TRP 26 Cb 0.50 -0.13 -0.03 0.00 -0.00 0.00 0.00 29.16 29.50 1n8r h TRP 26 CO 0.04 0.24 0.19 0.78 -0.00 0.00 0.00 178.44 179.69 1n8r h GLY 27 N 0.48 1.14 0.96 1.49 0.00 -1.68 0.11 103.07 105.57 1n8r h GLY 27 Ca 0.19 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1n8r h GLY 27 CO -0.12 0.64 0.20 -1.80 0.00 0.00 0.00 176.54 175.46 1n8r h ASP 28 N 1.02 0.57 0.32 0.19 3.58 -0.03 -1.96 116.42 120.11 1n8r h ASP 28 Ca 0.22 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.43 1n8r h ASP 28 Cb 0.32 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1n8r h ASP 28 CO -0.00 0.55 -0.41 0.58 -2.88 0.00 0.00 179.24 177.07 1n8r h VAL 29 N 0.56 1.31 -0.56 2.25 2.07 0.42 -2.84 116.25 119.46 1n8r h VAL 29 Ca 0.15 -1.49 -0.10 0.00 0.82 0.00 0.00 66.70 66.08 1n8r h VAL 29 Cb 0.13 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1n8r h VAL 29 CO -0.02 0.44 -0.06 0.00 0.02 0.00 0.00 177.57 177.95 1n8r h ALA 30 N 1.47 0.76 -0.03 1.67 0.00 -0.37 -1.89 119.26 120.87 1n8r h ALA 30 Ca 0.01 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1n8r h ALA 30 Cb 0.78 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1n8r h ALA 30 CO 0.06 0.63 -0.36 0.93 0.00 0.00 0.00 179.25 180.51 1n8r h GLU 31 N 0.90 0.05 0.05 0.00 5.08 -1.16 -1.18 114.58 118.33 1n8r h GLU 31 Ca 0.15 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.25 1n8r h GLU 31 Cb 0.62 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1n8r h GLU 31 CO 0.04 0.41 -1.05 -0.09 -1.00 0.00 0.00 179.01 177.32 1n8r h ARG 32 N 0.05 0.32 0.00 2.33 9.65 -1.35 -2.97 114.38 122.41 1n8r h ARG 32 Ca 0.00 -0.42 -0.08 0.00 -1.10 0.00 0.00 59.98 58.38 1n8r h ARG 32 Cb 0.66 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.37 1n8r h ARG 32 CO 0.05 1.13 -0.39 -0.07 2.80 0.00 0.00 179.97 183.49 1n8r h LEU 33 N 0.15 0.00 -1.08 3.80 3.38 -1.04 -2.41 115.31 118.11 1n8r h LEU 33 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1n8r h LEU 33 Cb 1.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.47 1n8r h LEU 33 CO 0.18 0.39 -0.09 -0.33 0.09 0.00 0.00 178.44 178.68 1n8r h GLU 34 N 0.00 0.00 -7.40 1.13 5.08 -1.13 -3.44 114.58 108.81 1n8r h GLU 34 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1n8r h GLU 34 Cb 0.92 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.26 1n8r h GLU 34 CO 0.05 0.09 0.38 0.15 -1.00 0.00 0.00 179.01 178.68 1n8r s LYS 35 N -3.57 2.75 0.12 2.33 1.02 -0.91 -4.96 119.74 116.52 1n8r s LYS 35 Ca 0.02 0.68 -0.35 0.00 0.02 0.00 0.00 55.97 56.35 1n8r s LYS 35 Cb 0.09 -1.99 -0.17 0.00 -0.52 0.00 0.00 37.83 35.24 1n8r s LYS 35 CO 0.60 -1.16 1.10 -2.30 -0.92 0.00 0.00 175.35 172.66 1n8r n PRO 36 N -3.13 0.76 -0.35 -1.68 -0.02 -1.26 -4.83 135.00 124.49 1n8r n PRO 36 Ca 0.07 0.27 0.28 0.00 -2.02 0.00 0.00 63.50 62.10 1n8r n PRO 36 Cb 0.55 -1.74 0.53 0.00 -0.02 0.00 0.00 33.50 32.83 1n8r n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n8r h ARG 37 N 3.21 0.21 -0.48 -0.52 3.08 -1.92 0.13 114.38 118.10 1n8r h ARG 37 Ca -0.44 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.67 1n8r h ARG 37 Cb 1.37 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.35 1n8r h ARG 37 CO 0.69 0.14 0.32 0.07 -1.07 0.00 0.00 179.97 180.12 1n8r h ARG 38 N 0.22 0.32 0.00 0.04 0.11 -2.00 0.79 114.38 113.86 1n8r h ARG 38 Ca 0.77 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.83 1n8r h ARG 38 Cb 1.95 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.96 1n8r h ARG 38 CO -0.59 0.21 -0.00 0.25 0.10 0.00 0.00 179.97 179.94 1n8r n THR 39 N -4.47 0.41 -0.84 0.08 -2.24 0.45 -4.86 114.28 102.81 1n8r n THR 39 Ca 0.07 -0.20 -0.31 0.00 -2.27 0.00 0.00 64.05 61.34 1n8r n THR 39 Cb 0.31 -0.56 0.15 0.00 -2.10 0.00 0.00 70.33 68.13 1n8r n THR 39 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1n8r s HIS 40 N -3.07 1.85 0.27 4.78 3.76 0.27 -4.96 115.29 118.19 1n8r s HIS 40 Ca 0.12 1.74 -0.21 0.00 -0.15 0.00 0.00 55.06 56.55 1n8r s HIS 40 Cb 0.14 -3.28 -0.09 0.00 1.11 0.00 0.00 32.58 30.47 1n8r s HIS 40 CO 0.58 -2.57 0.80 0.00 -0.85 0.00 0.00 174.74 172.69 1n8r s ALA 41 N -2.70 3.33 -0.36 -1.40 0.00 -1.06 -4.96 121.76 114.61 1n8r s ALA 41 Ca 0.66 0.27 -0.00 0.00 0.00 0.00 0.00 51.96 52.88 1n8r s ALA 41 Cb -0.21 -2.93 0.12 0.00 0.00 0.00 0.00 23.12 20.09 1n8r s ALA 41 CO 0.57 0.28 0.18 -1.21 0.00 0.00 0.00 175.76 175.58 1n8r s GLU 42 N -2.13 0.79 -0.12 0.00 2.02 -1.25 -0.00 118.70 118.00 1n8r s GLU 42 Ca 0.47 -1.38 -0.03 0.00 0.02 0.00 0.00 54.97 54.05 1n8r s GLU 42 Cb -0.16 -1.81 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 1n8r s GLU 42 CO 0.21 -1.11 -0.03 0.08 0.02 0.00 0.00 175.26 174.43 1n8r s VAL 43 N 1.12 4.01 0.43 2.63 1.01 -0.29 -4.93 120.40 124.37 1n8r s VAL 43 Ca 0.15 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1n8r s VAL 43 Cb -0.21 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.45 1n8r s VAL 43 CO -0.11 0.54 0.63 0.20 0.00 0.00 0.00 175.10 176.36 1n8r s ASN 44 N -0.15 5.82 0.34 3.32 0.01 -1.25 0.15 114.94 123.17 1n8r s ASN 44 Ca 0.03 0.13 0.04 0.00 -0.71 0.00 0.00 52.86 52.36 1n8r s ASN 44 Cb -0.13 -1.39 0.67 0.00 0.41 0.00 0.00 41.25 40.81 1n8r s ASN 44 CO 0.02 -0.67 1.94 -0.07 -1.51 0.00 0.00 177.10 176.81 1n8r h LEU 45 N 0.50 0.75 -1.00 0.60 3.38 -0.56 -2.84 115.31 116.14 1n8r h LEU 45 Ca -0.46 0.00 0.21 0.00 0.09 0.00 0.00 57.88 57.73 1n8r h LEU 45 Cb 1.26 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 1n8r h LEU 45 CO 0.56 0.48 0.60 1.23 0.09 0.00 0.00 178.44 181.39 1n8r h GLY 46 N 0.85 1.84 1.28 0.83 0.00 -1.71 -0.71 103.07 105.44 1n8r h GLY 46 Ca 0.34 -0.34 -0.25 0.00 0.00 0.00 0.00 47.33 47.09 1n8r h GLY 46 CO -0.12 -0.15 -0.96 -0.09 0.00 0.00 0.00 176.54 175.22 1n8r h ARG 47 N 0.68 0.66 -0.36 4.80 2.43 -1.84 -2.74 114.38 118.01 1n8r h ARG 47 Ca 0.61 -0.67 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1n8r h ARG 47 Cb 1.04 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1n8r h ARG 47 CO -0.43 1.26 0.19 0.82 -1.51 0.00 0.00 179.97 180.30 1n8r h ILE 48 N 0.39 1.15 -0.21 1.20 2.04 -1.42 -1.99 117.51 118.68 1n8r h ILE 48 Ca -0.10 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.35 1n8r h ILE 48 Cb 1.61 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1n8r h ILE 48 CO 0.19 0.16 0.14 -0.08 0.00 0.00 0.00 178.15 178.56 1n8r h GLU 49 N 0.45 0.26 0.02 2.37 4.57 -1.19 -1.46 114.58 119.60 1n8r h GLU 49 Ca 0.13 -0.02 -0.23 0.00 -1.18 0.00 0.00 59.36 58.06 1n8r h GLU 49 Cb 0.09 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1n8r h GLU 49 CO -0.02 0.17 -0.99 -0.09 -1.18 0.00 0.00 179.01 176.91 1n8r h ARG 50 N 0.27 0.35 -0.02 1.92 2.43 -1.05 -3.38 114.38 114.90 1n8r h ARG 50 Ca 0.08 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1n8r h ARG 50 Cb -0.00 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1n8r h ARG 50 CO -0.02 1.10 0.00 0.66 -1.51 0.00 0.00 179.97 180.21 1n8r n TYR 51 N -3.69 0.03 -2.82 2.20 4.02 -0.93 -5.04 117.16 110.92 1n8r n TYR 51 Ca -0.07 -0.18 -0.22 0.00 -0.01 0.00 0.00 57.90 57.43 1n8r n TYR 51 Cb 0.86 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 40.19 1n8r n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n8r s ALA 52 N -0.46 3.88 -0.09 -0.72 0.00 -0.56 -5.08 121.76 118.73 1n8r s ALA 52 Ca 0.03 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.63 1n8r s ALA 52 Cb 0.02 -2.07 0.03 0.00 0.00 0.00 0.00 23.12 21.10 1n8r s ALA 52 CO 0.02 -0.55 0.31 1.14 0.00 0.00 0.00 175.76 176.69 1n8r s GLN 53 N -4.64 0.46 0.59 0.00 -2.07 -1.26 -4.98 119.66 107.77 1n8r s GLN 53 Ca 0.53 0.25 -0.18 0.00 -1.82 0.00 0.00 55.36 54.14 1n8r s GLN 53 Cb -0.10 0.22 -0.06 0.00 -1.09 0.00 0.00 33.01 31.97 1n8r s GLN 53 CO 0.38 -0.08 0.79 0.39 -1.32 0.00 0.00 175.29 175.45 1n8r n GLU 54 N 2.42 0.73 -1.14 9.60 1.02 -1.26 -2.42 120.64 129.59 1n8r n GLU 54 Ca -0.16 0.29 -0.05 0.00 -0.02 0.00 0.00 57.16 57.22 1n8r n GLU 54 Cb 0.57 -1.99 -0.02 0.00 -0.02 0.00 0.00 31.44 29.98 1n8r n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1n8r n ASP 55 N -0.30 -4.93 -3.83 1.62 8.00 -1.26 -4.96 116.55 110.88 1n8r n ASP 55 Ca 0.13 0.12 -0.30 0.00 0.71 0.00 0.00 54.79 55.45 1n8r n ASP 55 Cb 0.47 -2.85 -0.16 0.00 -0.02 0.00 0.00 41.12 38.57 1n8r n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1n8r s GLU 56 N -1.98 1.08 0.16 -1.24 2.12 -1.02 -4.96 118.70 112.87 1n8r s GLU 56 Ca 0.00 -0.97 -0.31 0.00 0.36 0.00 0.00 54.97 54.05 1n8r s GLU 56 Cb 0.00 -2.34 -0.11 0.00 0.26 0.00 0.00 34.13 31.94 1n8r s GLU 56 CO 0.00 -0.77 1.72 0.99 -0.54 0.00 0.00 175.26 176.66 1n8r s THR 57 N 1.53 2.40 -0.13 -1.70 2.01 -0.78 -4.59 115.64 114.37 1n8r s THR 57 Ca 0.02 0.16 -0.27 0.00 0.31 0.00 0.00 61.69 61.91 1n8r s THR 57 Cb -0.18 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1n8r s THR 57 CO -0.13 0.01 0.88 -0.69 -0.69 0.00 0.00 174.62 174.00 1n8r s VAL 58 N 1.79 4.86 -0.27 3.82 1.01 0.42 -0.28 120.40 131.75 1n8r s VAL 58 Ca 0.76 1.76 -0.02 0.00 0.00 0.00 0.00 61.98 64.48 1n8r s VAL 58 Cb -0.46 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 31.76 1n8r s VAL 58 CO 0.33 0.04 -0.03 -0.69 0.00 0.00 0.00 175.10 174.76 1n8r s VAL 59 N 1.95 3.04 -0.43 2.92 1.01 0.13 0.25 120.40 129.26 1n8r s VAL 59 Ca 0.42 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1n8r s VAL 59 Cb -0.17 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.66 1n8r s VAL 59 CO 0.15 0.09 0.31 -0.69 0.00 0.00 0.00 175.10 174.96 1n8r s VAL 60 N 1.32 4.83 -0.85 2.92 1.01 -0.39 -1.14 120.40 128.11 1n8r s VAL 60 Ca -0.01 -1.07 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1n8r s VAL 60 Cb -0.18 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 32.25 1n8r s VAL 60 CO -0.03 -0.46 2.57 -0.81 0.00 0.00 0.00 175.10 176.37 1n8r n PRO 61 N 5.08 2.37 0.00 2.72 -0.04 -1.26 -3.87 135.00 140.00 1n8r n PRO 61 Ca -0.11 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 1n8r n PRO 61 Cb 0.44 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1n8r n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n8r n GLY 62 N 3.37 -0.50 3.23 0.55 0.00 -1.26 -2.57 105.19 108.02 1n8r n GLY 62 Ca 0.51 0.31 -0.22 0.00 0.00 0.00 0.00 46.02 46.62 1n8r n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n8r s LYS 63 N 0.00 1.00 -0.08 1.61 2.20 1.00 -1.26 119.74 124.20 1n8r s LYS 63 Ca 0.00 -1.06 -0.01 0.00 -0.36 0.00 0.00 55.97 54.54 1n8r s LYS 63 Cb 0.00 -1.15 -0.03 0.00 -1.51 0.00 0.00 37.83 35.14 1n8r s LYS 63 CO 0.00 0.27 -0.02 0.08 -0.36 0.00 0.00 175.35 175.31 1n8r s VAL 64 N -1.19 4.09 0.11 4.02 1.01 -0.30 -1.14 120.40 127.00 1n8r s VAL 64 Ca 0.03 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 61.78 1n8r s VAL 64 Cb -0.10 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1n8r s VAL 64 CO 0.03 0.60 -0.25 -0.76 0.00 0.00 0.00 175.10 174.72 1n8r s LEU 65 N -0.82 2.30 -0.05 3.92 1.43 0.41 -1.84 118.68 124.01 1n8r s LEU 65 Ca 0.13 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1n8r s LEU 65 Cb -0.11 -1.12 0.11 0.00 0.03 0.00 0.00 46.19 45.10 1n8r s LEU 65 CO 0.02 0.15 0.91 0.61 0.23 0.00 0.00 176.35 178.27 1n8r n GLY 66 N 1.06 2.05 3.79 -3.19 0.00 -1.26 -2.02 105.19 105.62 1n8r n GLY 66 Ca -0.18 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1n8r n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n8r s SER 67 N 0.27 7.28 0.00 1.61 0.01 -1.26 -4.76 113.70 116.85 1n8r s SER 67 Ca 0.08 1.71 0.00 0.00 1.31 0.00 0.00 55.95 59.05 1n8r s SER 67 Cb 0.07 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1n8r s SER 67 CO 0.02 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1n8r n GLY 68 N 0.76 -2.74 3.38 3.44 0.00 -1.26 -1.26 105.19 107.50 1n8r n GLY 68 Ca -0.00 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 1n8r n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8r s VAL 69 N -0.69 2.45 -0.14 1.61 1.01 -1.26 -4.67 120.40 118.71 1n8r s VAL 69 Ca 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1n8r s VAL 69 Cb 0.00 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1n8r s VAL 69 CO 0.00 0.55 -0.16 -0.22 0.00 0.00 0.00 175.10 175.26 1n8r s LEU 70 N -0.77 1.80 -0.09 3.92 2.96 -1.26 -4.40 118.68 120.83 1n8r s LEU 70 Ca 0.11 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1n8r s LEU 70 Cb -0.10 -1.21 -0.07 0.00 0.50 0.00 0.00 46.19 45.31 1n8r s LEU 70 CO 0.00 -0.01 -0.08 0.00 -1.32 0.00 0.00 176.35 174.95 1n8r n GLN 71 N 4.48 0.43 -1.69 1.98 6.02 -1.26 -4.83 117.38 122.51 1n8r n GLN 71 Ca -0.18 0.05 -0.44 0.00 -0.01 0.00 0.00 57.00 56.42 1n8r n GLN 71 Cb 0.51 -1.19 -0.02 0.00 1.02 0.00 0.00 30.24 30.55 1n8r n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1n8r n LYS 72 N -2.74 2.16 -2.41 -1.09 5.02 -1.26 -4.87 118.16 112.97 1n8r n LYS 72 Ca -0.17 0.77 -0.43 0.00 -2.02 0.00 0.00 58.31 56.46 1n8r n LYS 72 Cb 0.69 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 1n8r n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1n8r n ASP 73 N 1.75 4.75 -4.87 4.39 2.03 -1.25 -4.62 116.55 118.73 1n8r n ASP 73 Ca 0.09 -2.94 -0.22 0.00 0.52 0.00 0.00 54.79 52.24 1n8r n ASP 73 Cb 0.34 -1.65 -0.03 0.00 -0.72 0.00 0.00 41.12 39.06 1n8r n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1n8r s VAL 74 N 2.89 2.39 -0.21 5.18 -7.23 -1.26 -4.67 120.40 117.48 1n8r s VAL 74 Ca 0.48 -1.40 -0.03 0.00 -1.81 0.00 0.00 61.98 59.22 1n8r s VAL 74 Cb 0.06 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1n8r s VAL 74 CO 0.01 0.00 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.85 1n8r s THR 75 N -2.56 3.22 -0.13 5.32 2.01 -1.26 -1.55 115.64 120.69 1n8r s THR 75 Ca 0.45 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.87 1n8r s THR 75 Cb -0.02 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1n8r s THR 75 CO 0.26 0.44 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.93 1n8r s VAL 76 N 1.43 4.19 -0.17 3.82 1.01 -0.25 -0.44 120.40 129.99 1n8r s VAL 76 Ca 0.05 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1n8r s VAL 76 Cb -0.14 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.45 1n8r s VAL 76 CO -0.04 0.53 -0.15 0.00 0.00 0.00 0.00 175.10 175.44 1n8r s ALA 77 N -0.11 2.00 0.26 5.51 0.00 0.14 0.28 121.76 129.84 1n8r s ALA 77 Ca 0.04 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.96 1n8r s ALA 77 Cb -0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1n8r s ALA 77 CO 0.02 -0.48 0.14 0.00 0.00 0.00 0.00 175.76 175.45 1n8r s ALA 78 N 1.42 1.63 0.12 0.00 0.00 -1.01 -1.26 121.76 122.66 1n8r s ALA 78 Ca 0.03 -1.79 -0.13 0.00 0.00 0.00 0.00 51.96 50.07 1n8r s ALA 78 Cb -0.14 1.23 -0.06 0.00 0.00 0.00 0.00 23.12 24.15 1n8r s ALA 78 CO -0.11 -0.53 1.45 0.28 0.00 0.00 0.00 175.76 176.85 1n8r h VAL 79 N 2.38 1.29 -2.43 0.00 2.07 -1.29 -2.42 116.25 115.84 1n8r h VAL 79 Ca -0.35 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 65.69 1n8r h VAL 79 Cb 1.25 1.47 -0.16 0.00 -1.52 0.00 0.00 31.29 32.33 1n8r h VAL 79 CO 0.53 0.49 0.30 -0.62 0.02 0.00 0.00 177.57 178.29 1n8r s ASP 80 N -6.67 -0.53 -0.01 0.57 2.15 -1.13 -4.82 116.67 106.24 1n8r s ASP 80 Ca -0.12 0.23 0.05 0.00 0.43 0.00 0.00 52.55 53.14 1n8r s ASP 80 Cb 0.10 0.51 -0.01 0.00 -0.30 0.00 0.00 42.92 43.21 1n8r s ASP 80 CO 0.85 -0.73 -0.17 -0.36 -0.17 0.00 0.00 175.17 174.59 1n8r s PHE 81 N -2.67 1.49 0.73 -5.34 0.40 -1.26 -1.15 117.98 110.18 1n8r s PHE 81 Ca -0.02 -0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 55.89 1n8r s PHE 81 Cb -0.01 -0.95 0.04 0.00 0.51 0.00 0.00 43.02 42.61 1n8r s PHE 81 CO -0.05 -0.02 1.14 -1.54 0.70 0.00 0.00 175.22 175.46 1n8r s SER 82 N -0.47 4.45 0.37 1.36 1.04 -0.77 -4.76 113.70 114.92 1n8r s SER 82 Ca 0.06 2.11 0.06 0.00 0.48 0.00 0.00 55.95 58.66 1n8r s SER 82 Cb -0.07 -2.56 0.74 0.00 0.10 0.00 0.00 66.02 64.24 1n8r s SER 82 CO -0.00 -2.08 1.99 1.23 0.98 0.00 0.00 173.24 175.35 1n8r h GLY 83 N -0.49 0.87 0.80 7.32 0.00 -1.99 -1.68 103.07 107.90 1n8r h GLY 83 Ca -0.46 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 46.53 1n8r h GLY 83 CO 0.51 0.24 -0.04 -0.84 0.00 0.00 0.00 176.54 176.41 1n8r h THR 84 N 0.74 1.28 0.19 4.70 2.02 -1.96 -2.25 112.91 117.62 1n8r h THR 84 Ca 0.27 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.45 1n8r h THR 84 Cb 0.14 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1n8r h THR 84 CO -0.08 0.31 -0.44 0.00 0.37 0.00 0.00 175.52 175.68 1n8r h ALA 85 N 0.74 -0.83 -0.45 6.16 0.00 -1.76 0.64 119.26 123.76 1n8r h ALA 85 Ca 0.05 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1n8r h ALA 85 Cb 0.48 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1n8r h ALA 85 CO 0.02 -1.03 0.32 1.49 0.00 0.00 0.00 179.25 180.05 1n8r h GLU 86 N -0.72 0.12 -0.07 0.00 4.81 -1.35 -0.30 114.58 117.06 1n8r h GLU 86 Ca 0.00 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1n8r h GLU 86 Cb 0.71 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.08 1n8r h GLU 86 CO -0.21 0.08 -0.52 1.15 -0.73 0.00 0.00 179.01 178.78 1n8r h THR 87 N 0.12 1.38 -0.53 0.32 2.02 -0.60 -2.58 112.91 113.05 1n8r h THR 87 Ca 0.21 -1.89 -0.07 0.00 0.77 0.00 0.00 66.41 65.43 1n8r h THR 87 Cb 0.68 2.30 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 1n8r h THR 87 CO -0.03 0.56 0.05 0.11 0.37 0.00 0.00 175.52 176.59 1n8r h LYS 88 N 0.05 0.90 -0.07 6.66 1.57 -0.13 -3.16 116.57 122.40 1n8r h LYS 88 Ca -0.04 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1n8r h LYS 88 Cb 1.19 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 1n8r h LYS 88 CO 0.11 0.90 0.02 0.82 -0.57 0.00 0.00 179.45 180.73 1n8r h ILE 89 N 0.78 1.18 0.00 1.86 2.04 -1.15 -2.70 117.51 119.52 1n8r h ILE 89 Ca 0.16 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1n8r h ILE 89 Cb 0.46 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1n8r h ILE 89 CO 0.02 0.15 0.00 0.47 0.00 0.00 0.00 178.15 178.79 1n8r n ASP 90 N -4.92 0.01 0.08 1.72 8.00 -0.97 0.11 116.55 120.58 1n8r n ASP 90 Ca -0.06 0.50 -0.09 0.00 0.71 0.00 0.00 54.79 55.85 1n8r n ASP 90 Cb 0.14 -0.50 -0.07 0.00 -0.02 0.00 0.00 41.12 40.67 1n8r n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1n8r h GLN 91 N 0.00 0.13 0.00 -1.24 4.20 -1.44 -3.37 115.11 113.38 1n8r h GLN 91 Ca 0.00 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1n8r h GLN 91 Cb 0.10 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1n8r h GLN 91 CO 0.00 1.01 0.00 1.33 -0.67 0.00 0.00 178.83 180.50 1n8r n VAL 92 N -3.53 0.00 0.00 -0.54 0.24 -0.44 -5.08 118.33 108.98 1n8r n VAL 92 Ca -0.03 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1n8r n VAL 92 Cb 0.89 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 34.27 1n8r n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n8r n GLY 93 N 0.85 3.71 3.26 7.63 0.00 0.29 -3.83 105.19 117.12 1n8r n GLY 93 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 1n8r n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n8r s GLU 94 N 4.14 0.34 -0.23 1.61 2.12 -0.60 -4.37 118.70 121.70 1n8r s GLU 94 Ca 0.00 0.96 -0.21 0.00 0.36 0.00 0.00 54.97 56.08 1n8r s GLU 94 Cb 0.00 0.22 -0.02 0.00 0.26 0.00 0.00 34.13 34.59 1n8r s GLU 94 CO 0.00 -0.22 0.65 0.00 -0.54 0.00 0.00 175.26 175.14 1n8r s ALA 95 N 2.26 3.59 0.04 6.30 0.00 -1.26 -1.09 121.76 131.60 1n8r s ALA 95 Ca -0.04 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.63 1n8r s ALA 95 Cb -0.11 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 1n8r s ALA 95 CO -0.13 -0.73 -0.15 0.08 0.00 0.00 0.00 175.76 174.83 1n8r s VAL 96 N 2.32 1.21 0.44 0.00 1.01 0.14 -4.96 120.40 120.56 1n8r s VAL 96 Ca 0.28 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 1n8r s VAL 96 Cb -0.16 -1.08 -0.09 0.00 0.00 0.00 0.00 36.38 35.05 1n8r s VAL 96 CO 0.09 0.05 1.01 -0.94 0.00 0.00 0.00 175.10 175.31 1n8r s SER 97 N -1.12 6.67 0.62 3.32 1.04 -1.26 -2.41 113.70 120.55 1n8r s SER 97 Ca 0.03 1.90 0.34 0.00 0.48 0.00 0.00 55.95 58.69 1n8r s SER 97 Cb -0.08 -2.56 1.99 0.00 0.10 0.00 0.00 66.02 65.47 1n8r s SER 97 CO 0.01 -0.55 2.27 0.25 0.98 0.00 0.00 173.24 176.21 1n8r h LEU 98 N 2.02 0.00 -0.57 2.42 5.85 -1.75 0.40 115.31 123.68 1n8r h LEU 98 Ca -0.49 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.08 1n8r h LEU 98 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1n8r h LEU 98 CO 0.61 0.00 -0.66 -0.33 -0.34 0.00 0.00 178.44 177.71 1n8r h GLU 99 N 0.00 0.22 0.05 1.25 3.07 -1.90 -1.63 114.58 115.63 1n8r h GLU 99 Ca 0.01 -0.17 -0.16 0.00 -0.50 0.00 0.00 59.36 58.54 1n8r h GLU 99 Cb 0.06 0.03 0.02 0.00 -0.84 0.00 0.00 28.75 28.02 1n8r h GLU 99 CO -0.00 0.80 -0.67 1.96 -1.40 0.00 0.00 179.01 179.70 1n8r h GLN 100 N 0.16 0.36 0.02 2.33 4.20 -1.34 -3.09 115.11 117.75 1n8r h GLN 100 Ca -0.01 -0.46 0.03 0.00 0.06 0.00 0.00 58.65 58.26 1n8r h GLN 100 Cb 1.19 0.15 -0.05 0.00 0.30 0.00 0.00 27.48 29.07 1n8r h GLN 100 CO 0.10 1.15 -0.46 0.00 -0.67 0.00 0.00 178.83 178.96 1n8r h ALA 101 N 0.23 -0.77 -1.26 3.87 0.00 -1.18 0.24 119.26 120.39 1n8r h ALA 101 Ca -0.10 -0.06 0.36 0.00 0.00 0.00 0.00 54.91 55.11 1n8r h ALA 101 Cb 1.43 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 19.97 1n8r h ALA 101 CO 0.13 -1.01 0.91 0.82 0.00 0.00 0.00 179.25 180.10 1n8r h ILE 102 N -0.62 0.37 0.09 0.00 2.04 -1.36 0.20 117.51 118.22 1n8r h ILE 102 Ca 0.03 -0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.66 1n8r h ILE 102 Cb 0.69 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1n8r h ILE 102 CO -0.32 0.00 -1.21 -0.08 0.00 0.00 0.00 178.15 176.55 1n8r h GLU 103 N 0.00 0.18 0.00 2.37 4.81 -0.56 -2.90 114.58 118.48 1n8r h GLU 103 Ca 0.60 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1n8r h GLU 103 Cb 2.40 0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.90 1n8r h GLU 103 CO -0.01 1.15 0.00 0.09 -0.73 0.00 0.00 179.01 179.51 1n8r n ASN 104 N -4.09 0.27 -2.82 1.04 3.02 0.29 -4.20 115.26 108.77 1n8r n ASN 104 Ca -0.24 0.55 -0.11 0.00 -0.03 0.00 0.00 54.58 54.75 1n8r n ASN 104 Cb 0.82 -0.61 0.05 0.00 -0.61 0.00 0.00 39.78 39.42 1n8r n ASN 104 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1n8r n ASN 105 N -1.78 -2.09 0.33 6.41 5.15 -0.02 -4.99 115.26 118.26 1n8r n ASN 105 Ca 0.04 -3.39 0.21 0.00 -0.60 0.00 0.00 54.58 50.84 1n8r n ASN 105 Cb 0.25 1.45 1.12 0.00 -0.53 0.00 0.00 39.78 42.08 1n8r n ASN 105 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1n8r h PRO 106 N 3.51 0.00 0.00 1.20 0.13 -1.68 0.52 132.00 135.68 1n8r h PRO 106 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1n8r h PRO 106 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1n8r h PRO 106 CO 0.27 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 178.98 1n8r h GLU 107 N 0.00 0.00 -5.62 0.86 3.07 -1.89 -3.34 114.58 107.66 1n8r h GLU 107 Ca -0.00 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.59 1n8r h GLU 107 Cb 0.06 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 28.12 1n8r h GLU 107 CO 0.00 0.00 -0.79 0.41 -1.40 0.00 0.00 179.01 177.23 1n8r n GLY 108 N 0.67 -1.14 3.56 -3.84 0.00 0.17 -2.87 105.19 101.73 1n8r n GLY 108 Ca 0.03 0.55 -0.30 0.00 0.00 0.00 0.00 46.02 46.31 1n8r n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n8r s SER 109 N -3.36 4.28 -1.15 1.61 1.04 -1.26 -4.69 113.70 110.17 1n8r s SER 109 Ca 0.41 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 56.32 1n8r s SER 109 Cb -0.08 -0.77 -0.03 0.00 0.10 0.00 0.00 66.02 65.24 1n8r s SER 109 CO 0.77 0.18 0.82 1.41 0.98 0.00 0.00 173.24 177.40 1n8r n HIS 110 N 0.71 -2.11 -4.32 5.02 8.25 -1.26 -4.84 115.22 116.67 1n8r n HIS 110 Ca -0.14 0.70 -0.18 0.00 -0.26 0.00 0.00 57.72 57.85 1n8r n HIS 110 Cb 0.52 -3.97 -0.14 0.00 1.12 0.00 0.00 29.99 27.52 1n8r n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1n8r s VAL 111 N -3.49 0.68 -0.15 1.59 0.11 -1.26 -1.86 120.40 116.02 1n8r s VAL 111 Ca 0.34 -0.42 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 1n8r s VAL 111 Cb -0.08 -0.58 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1n8r s VAL 111 CO 0.80 0.15 -0.21 -0.60 -3.33 0.00 0.00 175.10 171.91 1n8r s ARG 112 N -0.31 3.02 -0.08 1.54 6.06 0.61 -4.94 118.95 124.87 1n8r s ARG 112 Ca 0.03 -0.84 -0.25 0.00 -2.50 0.00 0.00 55.73 52.16 1n8r s ARG 112 Cb -0.04 -2.47 -0.03 0.00 0.06 0.00 0.00 34.95 32.47 1n8r s ARG 112 CO -0.00 -0.05 0.79 0.08 -2.50 0.00 0.00 175.30 173.61 1n8r s VAL 113 N 0.91 4.97 -0.05 7.11 1.01 -1.26 0.19 120.40 133.28 1n8r s VAL 113 Ca -0.04 1.62 0.03 0.00 0.00 0.00 0.00 61.98 63.58 1n8r s VAL 113 Cb -0.15 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.11 1n8r s VAL 113 CO -0.04 0.18 -0.14 -0.63 0.00 0.00 0.00 175.10 174.47 1n8r s ILE 114 N 1.16 1.22 0.00 2.22 -1.09 -0.29 -4.91 121.20 119.50 1n8r s ILE 114 Ca 0.41 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 58.26 1n8r s ILE 114 Cb -0.18 -1.08 0.00 0.00 -1.58 0.00 0.00 42.46 39.62 1n8r s ILE 114 CO 0.19 0.37 0.00 -2.11 -1.23 0.00 0.00 174.94 172.16