#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1r s THR 2 N 0.00 0.24 0.21 -1.67 -4.23 -0.52 -0.22 115.64 109.45 1g1r s THR 2 Ca 0.00 -0.11 -0.09 0.00 -1.18 0.00 0.00 61.69 60.30 1g1r s THR 2 Cb 0.00 -0.22 -0.07 0.00 1.34 0.00 0.00 72.50 73.55 1g1r s THR 2 CO 0.00 0.08 0.52 -0.31 -0.54 0.00 0.00 174.62 174.37 1g1r s TYR 3 N 0.02 3.45 -0.20 3.99 2.02 -1.26 0.22 117.35 125.60 1g1r s TYR 3 Ca 0.00 0.84 -0.11 0.00 -0.37 0.00 0.00 57.07 57.43 1g1r s TYR 3 Cb -0.02 -2.23 0.06 0.00 -0.40 0.00 0.00 41.96 39.37 1g1r s TYR 3 CO -0.00 0.31 0.49 -1.01 -1.57 0.00 0.00 175.55 173.76 1g1r s HIS 4 N -1.76 -0.72 0.41 2.71 3.76 -0.78 -4.97 115.29 113.94 1g1r s HIS 4 Ca 0.45 1.51 0.08 0.00 -0.15 0.00 0.00 55.06 56.95 1g1r s HIS 4 Cb -0.12 0.36 -0.04 0.00 1.11 0.00 0.00 32.58 33.89 1g1r s HIS 4 CO 0.21 -0.39 0.27 1.52 -0.85 0.00 0.00 174.74 175.51 1g1r s TYR 5 N 1.40 2.67 -0.29 1.40 1.13 -1.26 0.30 117.35 122.70 1g1r s TYR 5 Ca -0.09 -0.52 -0.06 0.00 -1.41 0.00 0.00 57.07 54.98 1g1r s TYR 5 Cb -0.07 -2.03 0.01 0.00 -1.10 0.00 0.00 41.96 38.77 1g1r s TYR 5 CO -0.14 0.06 0.07 -1.54 -2.51 0.00 0.00 175.55 171.49 1g1r s SER 6 N -4.00 5.08 0.00 -0.18 1.04 -0.87 -4.95 113.70 109.81 1g1r s SER 6 Ca 0.44 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1g1r s SER 6 Cb -0.00 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1g1r s SER 6 CO 0.25 -0.19 0.07 0.35 0.98 0.00 0.00 173.24 174.70 1g1r n THR 7 N 4.85 0.00 -3.70 2.02 -2.24 -1.26 -4.38 114.28 109.57 1g1r n THR 7 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1g1r n THR 7 Cb 0.48 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1g1r n THR 7 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1g1r n LYS 8 N 0.29 1.23 -4.29 -0.78 4.76 -1.26 -5.14 118.16 112.97 1g1r n LYS 8 Ca 0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 1g1r n LYS 8 Cb 0.02 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.05 1g1r n LYS 8 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1g1r s ALA 9 N -2.00 0.84 0.19 7.82 0.00 -1.26 -3.91 121.76 123.44 1g1r s ALA 9 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 51.96 51.77 1g1r s ALA 9 Cb 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1g1r s ALA 9 CO 0.00 0.03 0.18 0.71 0.00 0.00 0.00 175.76 176.68 1g1r s TYR 10 N 0.81 0.93 0.73 0.00 2.02 -1.11 -4.77 117.35 115.95 1g1r s TYR 10 Ca -0.13 -1.21 -0.09 0.00 -0.37 0.00 0.00 57.07 55.27 1g1r s TYR 10 Cb -0.15 -0.40 0.05 0.00 -0.40 0.00 0.00 41.96 41.06 1g1r s TYR 10 CO 0.01 -0.67 1.07 -1.54 -1.57 0.00 0.00 175.55 172.85 1g1r s SER 11 N -3.10 4.94 0.54 2.29 1.04 -1.23 -1.50 113.70 116.67 1g1r s SER 11 Ca 0.32 0.74 0.32 0.00 0.48 0.00 0.00 55.95 57.81 1g1r s SER 11 Cb 0.06 -1.41 1.49 0.00 0.10 0.00 0.00 66.02 66.25 1g1r s SER 11 CO 0.09 -1.58 1.87 -0.25 0.98 0.00 0.00 173.24 174.35 1g1r h TRP 12 N -0.71 0.00 0.10 5.02 7.01 -1.74 0.44 115.95 126.06 1g1r h TRP 12 Ca -0.45 0.00 -0.31 0.00 2.11 0.00 0.00 58.89 60.24 1g1r h TRP 12 Cb 1.30 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.34 1g1r h TRP 12 CO 0.38 0.00 -1.64 -0.91 -2.79 0.00 0.00 178.44 173.48 1g1r h ASN 13 N 0.00 0.32 0.09 2.65 2.35 -1.92 -2.31 115.58 116.76 1g1r h ASN 13 Ca 0.42 -0.51 -0.22 0.00 -0.55 0.00 0.00 56.30 55.44 1g1r h ASN 13 Cb 1.74 -0.10 0.02 0.00 0.05 0.00 0.00 38.32 40.03 1g1r h ASN 13 CO -0.00 1.44 -0.91 0.40 -1.65 0.00 0.00 177.43 176.71 1g1r h ILE 14 N 0.06 1.40 0.01 2.81 2.04 -1.73 -2.73 117.51 119.36 1g1r h ILE 14 Ca -0.28 -2.37 0.01 0.00 1.00 0.00 0.00 64.86 63.22 1g1r h ILE 14 Cb 2.01 2.84 -0.03 0.00 -0.74 0.00 0.00 36.82 40.90 1g1r h ILE 14 CO 0.13 0.69 -0.31 0.28 0.00 0.00 0.00 178.15 178.94 1g1r h SER 15 N -0.06 -0.97 -0.75 1.72 0.02 -0.29 -0.71 113.55 112.51 1g1r h SER 15 Ca -0.14 0.11 0.17 0.00 -0.84 0.00 0.00 61.79 61.09 1g1r h SER 15 Cb 1.64 0.37 -0.12 0.00 0.14 0.00 0.00 62.40 64.43 1g1r h SER 15 CO 0.17 -0.31 0.12 -0.09 -1.14 0.00 0.00 176.83 175.58 1g1r h ARG 16 N -0.40 0.19 0.65 3.45 2.43 -1.50 -1.02 114.38 118.18 1g1r h ARG 16 Ca 0.01 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1g1r h ARG 16 Cb 0.43 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1g1r h ARG 16 CO -0.20 0.12 -0.42 -0.22 -1.51 0.00 0.00 179.97 177.74 1g1r h LYS 17 N 0.19 -0.98 0.00 0.20 1.63 -1.13 0.45 116.57 116.93 1g1r h LYS 17 Ca 0.43 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.29 1g1r h LYS 17 Cb 0.76 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 1g1r h LYS 17 CO -0.58 -0.65 0.54 -0.92 -3.45 0.00 0.00 179.45 174.39 1g1r h TYR 18 N -1.02 0.00 0.04 1.91 5.03 0.19 0.59 116.97 123.71 1g1r h TYR 18 Ca -0.08 0.00 -0.38 0.00 2.58 0.00 0.00 58.73 60.85 1g1r h TYR 18 Cb 0.83 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.06 1g1r h TYR 18 CO -0.11 0.00 -2.28 0.00 -1.32 0.00 0.00 178.16 174.44 1g1r h GLN 20 N 0.02 0.00 0.00 0.00 4.20 0.22 0.17 115.11 119.73 1g1r h GLN 20 Ca -0.51 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.20 1g1r h GLN 20 Cb 1.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.76 1g1r h GLN 20 CO -0.02 0.29 0.00 0.09 -0.67 0.00 0.00 178.83 178.53 1g1r n ASN 21 N -4.07 0.00 0.29 1.46 5.03 0.22 -4.32 115.26 113.88 1g1r n ASN 21 Ca -0.02 0.08 0.16 0.00 0.87 0.00 0.00 54.58 55.67 1g1r n ASN 21 Cb 0.35 0.00 0.90 0.00 -1.02 0.00 0.00 39.78 40.01 1g1r n ASN 21 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 1g1r h ARG 22 N 0.00 0.00 0.00 3.52 3.08 -1.70 -3.45 114.38 115.82 1g1r h ARG 22 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1g1r h ARG 22 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1g1r h ARG 22 CO 0.00 0.04 0.00 0.66 -1.07 0.00 0.00 179.97 179.60 1g1r n TYR 23 N -3.56 0.00 -0.11 3.04 4.01 0.58 -5.08 117.16 116.04 1g1r n TYR 23 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.49 1g1r n TYR 23 Cb 0.15 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.07 1g1r n TYR 23 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1g1r n THR 24 N 0.00 1.55 -2.67 -0.72 -1.04 -1.06 -4.43 114.28 105.91 1g1r n THR 24 Ca 0.00 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 1g1r n THR 24 Cb 0.00 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 1g1r n THR 24 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1g1r n ASP 25 N -3.74 0.00 -4.85 8.00 -0.08 -1.18 -4.49 116.55 110.22 1g1r n ASP 25 Ca -0.46 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.44 1g1r n ASP 25 Cb 0.93 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.33 1g1r n ASP 25 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1g1r s LEU 26 N 0.00 4.46 0.05 -2.67 1.43 -1.26 -2.24 118.68 118.44 1g1r s LEU 26 Ca 0.00 0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 53.69 1g1r s LEU 26 Cb 0.00 -2.51 -0.15 0.00 0.03 0.00 0.00 46.19 43.56 1g1r s LEU 26 CO 0.00 0.34 0.71 1.33 0.23 0.00 0.00 176.35 178.95 1g1r n VAL 27 N 1.81 0.46 -3.84 -1.59 0.24 0.32 -4.13 118.33 111.61 1g1r n VAL 27 Ca -0.15 -0.12 -0.36 0.00 -2.04 0.00 0.00 64.34 61.68 1g1r n VAL 27 Cb 0.53 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.76 1g1r n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g1r s ALA 28 N -0.23 2.93 0.08 2.33 0.00 -1.26 -2.45 121.76 123.15 1g1r s ALA 28 Ca 0.65 -1.36 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 1g1r s ALA 28 Cb -0.91 -1.93 -0.06 0.00 0.00 0.00 0.00 23.12 20.22 1g1r s ALA 28 CO 0.44 -0.74 0.40 0.42 0.00 0.00 0.00 175.76 176.28 1g1r s ILE 29 N 1.46 5.10 0.00 0.00 1.01 -1.26 -4.97 121.20 122.54 1g1r s ILE 29 Ca 0.03 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.11 1g1r s ILE 29 Cb -0.16 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1g1r s ILE 29 CO -0.01 0.27 0.10 0.00 0.00 0.00 0.00 174.94 175.30 1g1r n GLN 30 N 0.85 0.00 -3.65 2.79 10.64 -1.26 -4.81 117.38 121.95 1g1r n GLN 30 Ca -0.08 -0.10 -0.01 0.00 -1.83 0.00 0.00 57.00 54.99 1g1r n GLN 30 Cb 0.52 -0.32 -0.06 0.00 -0.86 0.00 0.00 30.24 29.52 1g1r n GLN 30 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1g1r s ASN 31 N 0.00 -0.34 0.21 2.61 2.20 -1.26 -3.85 114.94 114.50 1g1r s ASN 31 Ca 0.00 0.54 0.14 0.00 -0.94 0.00 0.00 52.86 52.60 1g1r s ASN 31 Cb 0.00 1.13 0.71 0.00 -2.00 0.00 0.00 41.25 41.08 1g1r s ASN 31 CO 0.00 -0.09 0.76 0.29 -2.94 0.00 0.00 177.10 175.13 1g1r n LYS 32 N 3.44 -0.02 -0.29 3.55 4.76 -1.23 0.16 118.16 128.52 1g1r n LYS 32 Ca -0.18 0.63 -0.04 0.00 -2.87 0.00 0.00 58.31 55.84 1g1r n LYS 32 Cb 0.57 -1.21 0.07 0.00 -1.84 0.00 0.00 35.03 32.63 1g1r n LYS 32 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1g1r h ASN 33 N 0.00 0.96 0.12 4.39 2.35 -1.95 0.06 115.58 121.50 1g1r h ASN 33 Ca 0.43 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 1g1r h ASN 33 Cb 1.30 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1g1r h ASN 33 CO -0.27 0.74 -0.06 -0.33 -1.65 0.00 0.00 177.43 175.87 1g1r h GLU 34 N 1.10 -0.15 0.28 0.81 5.08 0.12 0.48 114.58 122.29 1g1r h GLU 34 Ca 0.29 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1g1r h GLU 34 Cb -0.04 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1g1r h GLU 34 CO -0.05 -0.05 -0.34 0.82 -1.00 0.00 0.00 179.01 178.39 1g1r h ILE 35 N -0.23 0.29 -0.79 3.13 2.04 -1.51 1.06 117.51 121.51 1g1r h ILE 35 Ca -0.02 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.02 1g1r h ILE 35 Cb 0.18 0.29 -0.14 0.00 -0.74 0.00 0.00 36.82 36.41 1g1r h ILE 35 CO 0.03 0.00 -0.07 -0.78 0.00 0.00 0.00 178.15 177.33 1g1r h ASP 36 N -0.67 -0.51 0.51 1.72 1.82 -0.83 -0.50 116.42 117.97 1g1r h ASP 36 Ca -0.01 0.22 -0.02 0.00 -0.39 0.00 0.00 57.03 56.83 1g1r h ASP 36 Cb 0.63 0.41 -0.00 0.00 0.68 0.00 0.00 39.33 41.05 1g1r h ASP 36 CO -0.10 -0.23 -0.31 0.22 -1.61 0.00 0.00 179.24 177.21 1g1r h TYR 37 N 0.05 -0.83 -0.50 0.28 3.20 0.39 -3.18 116.97 116.38 1g1r h TYR 37 Ca 0.41 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.34 1g1r h TYR 37 Cb 0.71 0.29 -0.09 0.00 1.54 0.00 0.00 36.73 39.18 1g1r h TYR 37 CO -0.51 -0.46 -0.51 -0.07 -1.64 0.00 0.00 178.16 174.97 1g1r h LEU 38 N -0.77 -1.74 0.00 2.82 3.38 0.17 0.14 115.31 119.31 1g1r h LEU 38 Ca -0.07 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1g1r h LEU 38 Cb 0.61 0.74 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1g1r h LEU 38 CO 0.07 -0.37 0.01 -3.20 0.09 0.00 0.00 178.44 175.04 1g1r n ASN 39 N -5.38 0.00 0.00 -0.43 5.15 -0.26 -1.66 115.26 112.68 1g1r n ASN 39 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1g1r n ASN 39 Cb 0.34 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 1g1r n ASN 39 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1g1r n LYS 40 N -0.67 2.68 -0.09 1.20 2.85 0.46 -4.37 118.16 120.22 1g1r n LYS 40 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 1g1r n LYS 40 Cb 0.01 -0.26 -0.13 0.00 -0.65 0.00 0.00 35.03 34.00 1g1r n LYS 40 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1g1r n VAL 41 N -0.38 1.52 -1.15 0.58 0.24 -0.66 -4.94 118.33 113.54 1g1r n VAL 41 Ca 0.00 -0.67 -0.30 0.00 -2.04 0.00 0.00 64.34 61.33 1g1r n VAL 41 Cb 0.00 -1.22 0.12 0.00 -1.47 0.00 0.00 33.84 31.28 1g1r n VAL 41 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1g1r s LEU 42 N -6.33 2.63 0.54 1.34 1.43 -1.02 -5.05 118.68 112.22 1g1r s LEU 42 Ca -0.25 1.72 0.06 0.00 -1.03 0.00 0.00 54.13 54.63 1g1r s LEU 42 Cb 0.08 -4.25 0.06 0.00 0.03 0.00 0.00 46.19 42.10 1g1r s LEU 42 CO 0.70 -2.46 0.74 -2.16 0.23 0.00 0.00 176.35 173.39 1g1r s PRO 43 N -4.87 2.45 0.06 1.29 0.04 -1.26 -4.95 135.00 127.75 1g1r s PRO 43 Ca 0.63 -1.27 -0.22 0.00 0.04 0.00 0.00 61.00 60.18 1g1r s PRO 43 Cb -0.18 -2.62 -0.06 0.00 0.04 0.00 0.00 34.50 31.68 1g1r s PRO 43 CO 0.57 -0.71 0.66 -0.47 0.04 0.00 0.00 177.00 177.09 1g1r s TYR 44 N -2.64 3.77 -0.13 0.56 5.04 -1.26 -4.88 117.35 117.82 1g1r s TYR 44 Ca 0.59 1.36 -0.05 0.00 -2.44 0.00 0.00 57.07 56.54 1g1r s TYR 44 Cb -0.08 -2.65 0.06 0.00 0.35 0.00 0.00 41.96 39.64 1g1r s TYR 44 CO 0.37 0.44 0.26 0.71 -1.34 0.00 0.00 175.55 175.99 1g1r s TYR 45 N -0.61 -0.41 0.25 4.97 2.02 -1.26 -5.06 117.35 117.25 1g1r s TYR 45 Ca 0.33 0.95 -0.10 0.00 -0.37 0.00 0.00 57.07 57.88 1g1r s TYR 45 Cb -0.20 -0.04 0.38 0.00 -0.40 0.00 0.00 41.96 41.70 1g1r s TYR 45 CO 0.21 -0.34 1.49 -1.13 -1.57 0.00 0.00 175.55 174.20 1g1r n SER 46 N 5.28 -0.43 0.15 2.29 3.41 -1.26 0.11 113.62 123.17 1g1r n SER 46 Ca -0.07 1.65 0.13 0.00 -0.26 0.00 0.00 58.87 60.31 1g1r n SER 46 Cb 0.50 -0.46 0.52 0.00 -0.26 0.00 0.00 64.21 64.50 1g1r n SER 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1g1r h SER 47 N 0.00 0.00 0.00 4.04 0.02 -1.97 -3.49 113.55 112.15 1g1r h SER 47 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1g1r h SER 47 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1g1r h SER 47 CO -0.97 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 173.50 1g1r n TYR 48 N -2.37 -0.04 -4.11 3.45 4.01 0.30 -4.62 117.16 113.78 1g1r n TYR 48 Ca 0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.68 1g1r n TYR 48 Cb 0.25 0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.19 1g1r n TYR 48 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1g1r s TYR 49 N 0.00 0.62 0.10 -0.72 1.51 -1.24 -1.57 117.35 116.05 1g1r s TYR 49 Ca 0.00 -1.00 -0.01 0.00 -1.01 0.00 0.00 57.07 55.05 1g1r s TYR 49 Cb 0.00 -0.42 -0.04 0.00 -0.11 0.00 0.00 41.96 41.39 1g1r s TYR 49 CO 0.00 -0.30 0.27 -1.58 -1.11 0.00 0.00 175.55 172.82 1g1r s TRP 50 N -3.72 3.50 -0.04 2.71 0.52 0.13 -0.50 118.94 121.54 1g1r s TRP 50 Ca 0.07 0.30 0.04 0.00 0.02 0.00 0.00 56.10 56.54 1g1r s TRP 50 Cb 0.06 -1.81 -0.00 0.00 -1.15 0.00 0.00 33.47 30.58 1g1r s TRP 50 CO -0.08 0.53 -0.16 0.96 0.02 0.00 0.00 176.95 178.23 1g1r s ILE 51 N -1.59 1.32 -0.78 2.03 -4.36 -0.72 -2.47 121.20 114.63 1g1r s ILE 51 Ca 0.36 -0.65 -0.24 0.00 -0.26 0.00 0.00 60.65 59.86 1g1r s ILE 51 Cb -0.12 -1.15 -0.18 0.00 1.25 0.00 0.00 42.46 42.26 1g1r s ILE 51 CO 0.27 0.39 1.89 0.61 0.24 0.00 0.00 174.94 178.34 1g1r n GLY 52 N 3.22 1.62 2.92 6.27 0.00 -1.03 -4.44 105.19 113.75 1g1r n GLY 52 Ca -0.18 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 1g1r n GLY 52 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1g1r s ILE 53 N 7.81 -0.01 -0.10 -0.61 2.07 -1.26 -0.94 121.20 128.15 1g1r s ILE 53 Ca 0.64 0.04 -0.05 0.00 -1.41 0.00 0.00 60.65 59.87 1g1r s ILE 53 Cb 0.09 -0.11 0.05 0.00 0.13 0.00 0.00 42.46 42.62 1g1r s ILE 53 CO 0.16 0.02 0.24 -0.13 -1.91 0.00 0.00 174.94 173.32 1g1r s ARG 54 N 0.25 0.18 0.41 3.50 1.81 -0.95 -4.08 118.95 120.08 1g1r s ARG 54 Ca -0.02 0.54 -0.25 0.00 -1.72 0.00 0.00 55.73 54.29 1g1r s ARG 54 Cb -0.03 -0.12 -0.11 0.00 -0.45 0.00 0.00 34.95 34.24 1g1r s ARG 54 CO -0.01 -0.18 1.02 1.17 -0.68 0.00 0.00 175.30 176.62 1g1r n LYS 55 N 4.38 1.38 0.00 3.54 4.81 -1.26 -3.62 118.16 127.39 1g1r n LYS 55 Ca -0.23 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1g1r n LYS 55 Cb 0.52 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.53 1g1r n LYS 55 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1g1r n ASN 56 N 0.56 0.00 -0.04 3.14 2.85 -0.01 -4.91 115.26 116.85 1g1r n ASN 56 Ca 0.09 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.57 1g1r n ASN 56 Cb 0.39 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.25 1g1r n ASN 56 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1g1r n ASN 57 N 0.00 0.09 0.00 1.20 2.85 -1.26 -4.79 115.26 113.36 1g1r n ASN 57 Ca 0.00 0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1g1r n ASN 57 Cb 0.00 1.37 0.00 0.00 1.24 0.00 0.00 39.78 42.39 1g1r n ASN 57 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1g1r n LYS 58 N -2.54 0.00 -4.10 1.20 0.00 -1.26 -5.12 118.16 106.34 1g1r n LYS 58 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.80 1g1r n LYS 58 Cb 0.85 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.73 1g1r n LYS 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1g1r s THR 59 N 0.00 2.60 1.42 3.15 2.01 -1.26 -5.10 115.64 118.45 1g1r s THR 59 Ca 0.00 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 61.01 1g1r s THR 59 Cb 0.00 -2.13 0.36 0.00 0.01 0.00 0.00 72.50 70.74 1g1r s THR 59 CO 0.00 0.50 0.85 0.79 -0.69 0.00 0.00 174.62 176.06 1g1r n TRP 60 N 4.61 -3.40 -3.61 4.92 7.02 -1.26 -0.83 117.44 124.89 1g1r n TRP 60 Ca -0.20 -0.68 -0.02 0.00 -1.02 0.00 0.00 57.50 55.58 1g1r n TRP 60 Cb 0.51 -1.39 -0.01 0.00 -2.42 0.00 0.00 31.31 27.99 1g1r n TRP 60 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1g1r s THR 61 N -2.14 0.00 -0.22 -0.99 2.01 -1.24 -3.73 115.64 109.33 1g1r s THR 61 Ca 0.65 -0.08 -0.07 0.00 0.31 0.00 0.00 61.69 62.50 1g1r s THR 61 Cb -0.13 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1g1r s THR 61 CO 0.56 0.00 0.06 0.26 -0.69 0.00 0.00 174.62 174.81 1g1r s TRP 62 N -2.41 3.12 0.11 4.92 0.52 0.25 -2.23 118.94 123.22 1g1r s TRP 62 Ca 0.11 -0.27 -0.32 0.00 0.02 0.00 0.00 56.10 55.64 1g1r s TRP 62 Cb 0.01 -2.16 -0.10 0.00 -1.15 0.00 0.00 33.47 30.06 1g1r s TRP 62 CO -0.04 -0.19 1.57 -0.39 0.02 0.00 0.00 176.95 177.93 1g1r h VAL 63 N 5.32 0.10 0.48 4.03 -1.51 -1.35 0.68 116.25 124.00 1g1r h VAL 63 Ca -0.37 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.08 1g1r h VAL 63 Cb 1.18 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1g1r h VAL 63 CO 0.61 0.00 -0.23 1.23 -1.23 0.00 0.00 177.57 177.95 1g1r h GLY 64 N -0.65 -0.68 2.00 5.19 0.00 -1.80 -3.28 103.07 103.87 1g1r h GLY 64 Ca 0.03 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1g1r h GLY 64 CO -0.31 -0.25 -0.03 -0.91 0.00 0.00 0.00 176.54 175.05 1g1r h THR 65 N -0.77 0.70 0.00 4.70 1.35 -1.92 -3.46 112.91 113.51 1g1r h THR 65 Ca -0.07 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1g1r h THR 65 Cb 0.50 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1g1r h THR 65 CO 0.11 0.03 0.00 1.17 -0.25 0.00 0.00 175.52 176.58 1g1r n LYS 66 N -4.03 0.00 -2.31 4.72 3.00 0.24 -4.99 118.16 114.78 1g1r n LYS 66 Ca -0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.95 1g1r n LYS 66 Cb 0.12 -2.16 -0.01 0.00 0.00 0.00 0.00 35.03 32.97 1g1r n LYS 66 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1g1r s LYS 67 N -0.05 3.55 -0.00 1.64 1.02 -1.23 -4.66 119.74 120.01 1g1r s LYS 67 Ca 0.00 1.33 -0.21 0.00 0.02 0.00 0.00 55.97 57.12 1g1r s LYS 67 Cb 0.00 -2.06 -0.05 0.00 -0.52 0.00 0.00 37.83 35.20 1g1r s LYS 67 CO 0.00 -0.64 0.60 0.00 -0.92 0.00 0.00 175.35 174.39 1g1r s ALA 68 N -2.14 3.48 0.30 5.17 0.00 -1.26 0.85 121.76 128.16 1g1r s ALA 68 Ca 0.67 0.03 -0.19 0.00 0.00 0.00 0.00 51.96 52.47 1g1r s ALA 68 Cb -0.17 -2.75 -0.13 0.00 0.00 0.00 0.00 23.12 20.07 1g1r s ALA 68 CO 0.27 0.17 0.15 -0.11 0.00 0.00 0.00 175.76 176.24 1g1r n LEU 69 N 2.72 -2.11 -4.43 0.00 7.94 -1.24 -4.91 117.00 114.97 1g1r n LEU 69 Ca -0.07 0.74 -0.21 0.00 -1.11 0.00 0.00 56.01 55.36 1g1r n LEU 69 Cb 0.51 -0.75 -0.10 0.00 0.53 0.00 0.00 43.42 43.60 1g1r n LEU 69 CO 0.44 -3.30 -0.31 0.42 -1.11 0.00 0.00 177.39 173.53 1g1r s THR 70 N -1.28 1.32 0.35 1.96 -4.23 -1.26 -4.99 115.64 107.51 1g1r s THR 70 Ca 0.51 -2.04 0.06 0.00 -1.18 0.00 0.00 61.69 59.03 1g1r s THR 70 Cb -0.59 -2.61 0.16 0.00 1.34 0.00 0.00 72.50 70.80 1g1r s THR 70 CO 0.51 -0.15 1.89 0.78 -0.54 0.00 0.00 174.62 177.11 1g1r h ASN 71 N 2.22 0.42 -0.08 3.99 2.35 -1.94 0.38 115.58 122.93 1g1r h ASN 71 Ca -0.40 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 1g1r h ASN 71 Cb 1.24 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.49 1g1r h ASN 71 CO 0.68 0.51 0.01 -0.33 -1.65 0.00 0.00 177.43 176.65 1g1r h GLU 72 N 0.43 0.13 0.14 0.81 3.07 -1.96 -3.28 114.58 113.92 1g1r h GLU 72 Ca 0.09 -0.03 -0.30 0.00 -0.50 0.00 0.00 59.36 58.62 1g1r h GLU 72 Cb 0.33 -0.01 0.03 0.00 -0.84 0.00 0.00 28.75 28.25 1g1r h GLU 72 CO 0.01 0.35 -1.28 0.00 -1.40 0.00 0.00 179.01 176.69 1g1r h ALA 73 N 0.77 -0.04 -0.22 3.43 0.00 -1.62 -3.27 119.26 118.31 1g1r h ALA 73 Ca 0.02 -0.78 -0.71 0.00 0.00 0.00 0.00 54.91 53.44 1g1r h ALA 73 Cb 0.28 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1g1r h ALA 73 CO 0.00 0.68 1.40 -1.91 0.00 0.00 0.00 179.25 179.42 1g1r n GLU 74 N -3.79 0.21 -3.10 0.00 0.00 0.13 -4.79 120.64 109.30 1g1r n GLU 74 Ca -0.14 0.05 -0.18 0.00 0.00 0.00 0.00 57.16 56.89 1g1r n GLU 74 Cb 1.00 -1.70 -0.02 0.00 0.00 0.00 0.00 31.44 30.72 1g1r n GLU 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1g1r n ASN 75 N 8.45 -0.01 0.00 4.31 5.15 -1.26 -4.95 115.26 126.95 1g1r n ASN 75 Ca 0.54 -3.05 0.00 0.00 -0.60 0.00 0.00 54.58 51.47 1g1r n ASN 75 Cb 0.03 -0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.17 1g1r n ASN 75 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1g1r n TRP 76 N 0.66 0.00 -3.55 1.20 7.02 -1.26 -1.40 117.44 120.10 1g1r n TRP 76 Ca 0.20 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.51 1g1r n TRP 76 Cb 0.63 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.46 1g1r n TRP 76 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1g1r s ALA 77 N -2.23 -1.62 -0.36 6.99 0.00 -1.19 -2.18 121.76 121.17 1g1r s ALA 77 Ca 0.00 1.14 -0.45 0.00 0.00 0.00 0.00 51.96 52.65 1g1r s ALA 77 Cb 0.00 0.04 -0.20 0.00 0.00 0.00 0.00 23.12 22.96 1g1r s ALA 77 CO 0.00 -0.37 1.46 -0.25 0.00 0.00 0.00 175.76 176.60 1g1r n ASP 78 N 0.91 0.90 0.00 0.00 8.00 -1.26 0.14 116.55 125.24 1g1r n ASP 78 Ca -0.19 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.49 1g1r n ASP 78 Cb 0.57 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 1g1r n ASP 78 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1g1r n ASN 79 N 3.35 0.00 -4.79 -2.24 5.03 -1.26 -5.03 115.26 110.32 1g1r n ASN 79 Ca 0.28 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.37 1g1r n ASN 79 Cb -0.02 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.68 1g1r n ASN 79 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1g1r s GLU 80 N -0.25 4.50 0.86 3.52 0.41 0.12 -4.52 118.70 123.34 1g1r s GLU 80 Ca 0.00 1.33 -0.12 0.00 -0.41 0.00 0.00 54.97 55.76 1g1r s GLU 80 Cb 0.00 -2.70 0.14 0.00 -1.78 0.00 0.00 34.13 29.79 1g1r s GLU 80 CO 0.00 0.20 1.21 -1.25 -0.49 0.00 0.00 175.26 174.93 1g1r s PRO 81 N -2.23 1.34 0.20 0.39 0.04 -1.26 -4.60 135.00 128.88 1g1r s PRO 81 Ca 0.52 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1g1r s PRO 81 Cb -0.18 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1g1r s PRO 81 CO 0.23 -1.93 0.00 0.27 0.04 0.00 0.00 177.00 175.61 1g1r n ASN 82 N -3.44 -1.39 -4.72 6.66 6.94 -1.26 -5.10 115.26 112.95 1g1r n ASN 82 Ca 0.12 0.37 -0.59 0.00 -0.02 0.00 0.00 54.58 54.46 1g1r n ASN 82 Cb 0.60 1.51 -0.07 0.00 -2.36 0.00 0.00 39.78 39.45 1g1r n ASN 82 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1g1r n ASN 83 N -2.95 2.26 -0.79 0.53 3.02 -1.26 -4.86 115.26 111.20 1g1r n ASN 83 Ca 0.00 1.09 0.10 0.00 -0.03 0.00 0.00 54.58 55.74 1g1r n ASN 83 Cb 0.00 -1.11 0.08 0.00 -0.61 0.00 0.00 39.78 38.14 1g1r n ASN 83 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1g1r n LYS 84 N 5.23 1.75 -3.00 3.52 3.00 -1.26 -4.85 118.16 122.54 1g1r n LYS 84 Ca 0.27 -1.68 -0.40 0.00 -0.00 0.00 0.00 58.31 56.50 1g1r n LYS 84 Cb 0.11 -1.38 -0.05 0.00 0.00 0.00 0.00 35.03 33.71 1g1r n LYS 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1g1r s ARG 85 N -1.63 4.47 0.10 1.64 3.52 -1.26 -4.99 118.95 120.79 1g1r s ARG 85 Ca 0.23 1.01 -0.36 0.00 -0.13 0.00 0.00 55.73 56.48 1g1r s ARG 85 Cb 0.16 -3.39 -0.17 0.00 -1.56 0.00 0.00 34.95 29.99 1g1r s ARG 85 CO 0.25 0.20 1.12 -1.71 -0.81 0.00 0.00 175.30 174.35 1g1r n ASN 86 N 3.16 0.75 0.00 -2.12 5.15 -1.26 -1.33 115.26 119.61 1g1r n ASN 86 Ca -0.02 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.10 1g1r n ASN 86 Cb 0.51 -1.09 0.00 0.00 -0.53 0.00 0.00 39.78 38.67 1g1r n ASN 86 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1g1r n ASN 87 N 1.99 -1.99 -1.23 1.20 5.15 -1.26 -4.94 115.26 114.18 1g1r n ASN 87 Ca 0.18 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.12 1g1r n ASN 87 Cb 0.18 -0.33 0.13 0.00 -0.53 0.00 0.00 39.78 39.22 1g1r n ASN 87 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1g1r n GLU 88 N -2.66 2.05 -0.38 1.20 1.02 -0.44 -0.41 120.64 121.01 1g1r n GLU 88 Ca 0.00 -3.45 0.08 0.00 -0.02 0.00 0.00 57.16 53.77 1g1r n GLU 88 Cb 0.00 -1.66 0.23 0.00 -0.02 0.00 0.00 31.44 30.00 1g1r n GLU 88 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1g1r n ASP 89 N -0.81 3.66 -4.69 1.62 5.75 -1.26 -4.36 116.55 116.46 1g1r n ASP 89 Ca 0.25 -2.67 -0.38 0.00 -0.01 0.00 0.00 54.79 51.98 1g1r n ASP 89 Cb 0.82 -0.45 -0.07 0.00 -1.03 0.00 0.00 41.12 40.40 1g1r n ASP 89 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1g1r s VAL 91 N 1.13 4.37 0.29 0.00 1.01 -1.26 -1.29 120.40 124.65 1g1r s VAL 91 Ca 0.21 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.84 1g1r s VAL 91 Cb -0.15 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1g1r s VAL 91 CO 0.08 0.44 0.08 -1.83 0.00 0.00 0.00 175.10 173.87 1g1r s GLU 92 N -1.40 2.42 -0.09 2.72 -1.05 0.25 -1.76 118.70 119.79 1g1r s GLU 92 Ca 0.18 -1.40 0.01 0.00 -0.15 0.00 0.00 54.97 53.61 1g1r s GLU 92 Cb -0.12 -2.23 0.02 0.00 -0.44 0.00 0.00 34.13 31.36 1g1r s GLU 92 CO 0.09 0.28 -0.12 -1.50 0.95 0.00 0.00 175.26 174.95 1g1r s ILE 93 N -2.33 1.26 -0.56 1.83 2.07 0.34 -0.60 121.20 123.21 1g1r s ILE 93 Ca 0.34 -0.50 -0.25 0.00 -1.41 0.00 0.00 60.65 58.82 1g1r s ILE 93 Cb -0.05 -1.18 -0.23 0.00 0.13 0.00 0.00 42.46 41.13 1g1r s ILE 93 CO 0.22 0.39 1.82 -1.22 -1.91 0.00 0.00 174.94 174.24 1g1r n TYR 94 N 4.22 1.25 -2.34 3.50 4.01 0.21 -3.64 117.16 124.36 1g1r n TYR 94 Ca -0.19 -1.23 -0.43 0.00 -0.16 0.00 0.00 57.90 55.89 1g1r n TYR 94 Cb 0.51 -1.51 -0.02 0.00 -0.31 0.00 0.00 39.34 38.01 1g1r n TYR 94 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1g1r s ILE 95 N 6.94 4.14 -1.19 -0.72 -1.09 -1.26 0.77 121.20 128.79 1g1r s ILE 95 Ca 0.64 1.38 -0.03 0.00 -2.23 0.00 0.00 60.65 60.41 1g1r s ILE 95 Cb 0.12 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1g1r s ILE 95 CO 0.20 -0.13 0.34 0.29 -1.23 0.00 0.00 174.94 174.41 1g1r n LYS 96 N 6.74 -3.02 -1.91 2.79 5.02 -1.26 -4.56 118.16 121.97 1g1r n LYS 96 Ca 0.15 0.69 -0.42 0.00 -2.02 0.00 0.00 58.31 56.70 1g1r n LYS 96 Cb 0.44 -5.05 -0.03 0.00 -0.02 0.00 0.00 35.03 30.38 1g1r n LYS 96 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1g1r s SER 97 N -2.67 6.58 0.39 4.39 0.15 -1.08 -4.89 113.70 116.56 1g1r s SER 97 Ca 0.17 2.57 0.07 0.00 0.70 0.00 0.00 55.95 59.46 1g1r s SER 97 Cb -0.07 -2.58 0.82 0.00 -1.71 0.00 0.00 66.02 62.48 1g1r s SER 97 CO 0.21 -0.88 1.99 1.55 1.20 0.00 0.00 173.24 177.31 1g1r h PRO 98 N 7.76 0.62 0.00 5.44 0.13 -1.93 -2.85 132.00 141.18 1g1r h PRO 98 Ca -0.43 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1g1r h PRO 98 Cb 1.20 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1g1r h PRO 98 CO 0.93 0.41 0.00 -1.13 -0.23 0.00 0.00 178.00 177.98 1g1r n SER 99 N -4.47 0.00 -4.08 1.44 3.41 -1.26 -4.78 113.62 103.87 1g1r n SER 99 Ca 0.08 0.19 -0.35 0.00 -0.26 0.00 0.00 58.87 58.52 1g1r n SER 99 Cb 0.19 -0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 1g1r n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g1r s ALA 100 N -3.53 4.14 0.05 7.33 0.00 -1.25 -5.07 121.76 123.43 1g1r s ALA 100 Ca 0.00 -3.79 -0.30 0.00 0.00 0.00 0.00 51.96 47.87 1g1r s ALA 100 Cb 0.00 -2.74 -0.08 0.00 0.00 0.00 0.00 23.12 20.30 1g1r s ALA 100 CO 0.00 -2.14 1.68 -1.25 0.00 0.00 0.00 175.76 174.05 1g1r s PRO 101 N -1.25 4.19 0.00 0.00 0.04 -1.07 -3.67 135.00 133.24 1g1r s PRO 101 Ca 0.26 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.64 1g1r s PRO 101 Cb -0.08 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1g1r s PRO 101 CO -0.12 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.56 1g1r n GLY 102 N 4.07 0.72 3.39 0.56 0.00 0.23 -4.87 105.19 109.29 1g1r n GLY 102 Ca 0.16 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 1g1r n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g1r s LYS 103 N -2.96 1.46 -0.03 1.61 3.01 -1.24 -4.85 119.74 116.74 1g1r s LYS 103 Ca 0.00 -1.71 -0.02 0.00 -1.01 0.00 0.00 55.97 53.23 1g1r s LYS 103 Cb 0.00 -1.14 -0.04 0.00 -1.01 0.00 0.00 37.83 35.64 1g1r s LYS 103 CO 0.00 0.10 0.11 -1.58 0.51 0.00 0.00 175.35 174.49 1g1r s TRP 104 N -3.00 3.40 -0.06 3.18 0.51 -0.49 0.64 118.94 123.12 1g1r s TRP 104 Ca 0.27 0.30 -0.05 0.00 -2.12 0.00 0.00 56.10 54.50 1g1r s TRP 104 Cb 0.02 -1.80 0.02 0.00 -0.81 0.00 0.00 33.47 30.90 1g1r s TRP 104 CO 0.10 0.60 0.15 1.21 -0.51 0.00 0.00 176.95 178.50 1g1r s ASN 105 N -1.60 -0.15 -0.14 2.95 2.47 0.23 -3.14 114.94 115.56 1g1r s ASN 105 Ca 0.22 0.31 -0.21 0.00 0.42 0.00 0.00 52.86 53.60 1g1r s ASN 105 Cb -0.12 0.28 -0.03 0.00 -1.45 0.00 0.00 41.25 39.93 1g1r s ASN 105 CO 0.12 -0.08 0.59 1.51 -3.72 0.00 0.00 177.10 175.53 1g1r s ASP 106 N 0.39 6.76 0.37 -4.21 -4.77 -1.26 0.84 116.67 114.78 1g1r s ASP 106 Ca -0.03 0.91 0.04 0.00 -3.30 0.00 0.00 52.55 50.17 1g1r s ASP 106 Cb -0.04 -2.34 -0.05 0.00 -1.09 0.00 0.00 42.92 39.40 1g1r s ASP 106 CO -0.02 -0.14 0.08 -0.70 0.70 0.00 0.00 175.17 175.09 1g1r s GLU 107 N 1.21 1.79 -0.34 2.11 2.56 -0.41 -4.80 118.70 120.83 1g1r s GLU 107 Ca 0.30 -2.05 -0.28 0.00 0.00 0.00 0.00 54.97 52.94 1g1r s GLU 107 Cb -0.16 -0.85 -0.01 0.00 2.00 0.00 0.00 34.13 35.11 1g1r s GLU 107 CO 0.12 -0.30 1.73 -1.58 -0.56 0.00 0.00 175.26 174.68 1g1r s HIS 108 N -3.22 1.91 0.06 5.30 5.65 -1.26 -3.95 115.29 119.77 1g1r s HIS 108 Ca 0.30 0.62 0.00 0.00 0.25 0.00 0.00 55.06 56.23 1g1r s HIS 108 Cb 0.06 -4.16 0.00 0.00 -1.18 0.00 0.00 32.58 27.30 1g1r s HIS 108 CO 0.14 -2.81 0.46 0.00 -0.65 0.00 0.00 174.74 171.88 1g1r n LEU 110 N -0.98 1.85 0.00 0.00 4.77 -1.26 -2.90 117.00 118.48 1g1r n LEU 110 Ca 0.00 -0.79 -0.12 0.00 -0.03 0.00 0.00 56.01 55.07 1g1r n LEU 110 Cb 0.46 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.67 1g1r n LEU 110 CO 0.00 0.35 0.14 0.29 -1.33 0.00 0.00 177.39 176.84 1g1r n LYS 111 N 0.03 -2.82 -5.01 3.23 4.76 0.12 -4.69 118.16 113.77 1g1r n LYS 111 Ca 0.08 -0.59 -0.29 0.00 -2.87 0.00 0.00 58.31 54.64 1g1r n LYS 111 Cb 0.39 -0.81 -0.16 0.00 -1.84 0.00 0.00 35.03 32.61 1g1r n LYS 111 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1g1r s LYS 112 N -3.65 2.26 -0.27 1.97 1.02 -1.26 -3.52 119.74 116.30 1g1r s LYS 112 Ca 0.27 -0.73 -0.25 0.00 0.02 0.00 0.00 55.97 55.28 1g1r s LYS 112 Cb -0.05 -1.87 0.10 0.00 -0.52 0.00 0.00 37.83 35.49 1g1r s LYS 112 CO 0.23 0.25 0.88 0.15 -0.92 0.00 0.00 175.35 175.94 1g1r s LYS 113 N 0.11 0.67 0.97 1.68 1.02 -0.56 -4.85 119.74 118.77 1g1r s LYS 113 Ca -0.08 0.75 -0.13 0.00 0.02 0.00 0.00 55.97 56.53 1g1r s LYS 113 Cb -0.14 0.33 0.04 0.00 -0.52 0.00 0.00 37.83 37.53 1g1r s LYS 113 CO 0.04 -0.09 0.33 0.72 -0.92 0.00 0.00 175.35 175.44 1g1r n HIS 114 N 2.34 -1.57 -4.18 3.18 8.25 -0.61 -2.77 115.22 119.86 1g1r n HIS 114 Ca -0.13 0.22 -0.35 0.00 -0.26 0.00 0.00 57.72 57.20 1g1r n HIS 114 Cb 0.56 -1.75 -0.09 0.00 1.12 0.00 0.00 29.99 29.82 1g1r n HIS 114 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1g1r s ALA 115 N -2.37 3.38 -0.41 -1.41 0.00 -1.26 0.20 121.76 119.88 1g1r s ALA 115 Ca 0.56 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 1g1r s ALA 115 Cb -0.20 -1.71 0.08 0.00 0.00 0.00 0.00 23.12 21.29 1g1r s ALA 115 CO 0.68 0.41 0.25 -1.17 0.00 0.00 0.00 175.76 175.93 1g1r s LEU 116 N -0.34 5.12 0.31 0.00 2.96 -1.03 -2.05 118.68 123.65 1g1r s LEU 116 Ca 0.08 -1.51 0.03 0.00 -0.22 0.00 0.00 54.13 52.51 1g1r s LEU 116 Cb -0.12 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1g1r s LEU 116 CO 0.02 -0.53 0.47 0.00 -1.32 0.00 0.00 176.35 174.99 1g1r s TYR 118 N -2.18 -0.10 -0.29 0.00 1.13 -0.95 -1.87 117.35 113.08 1g1r s TYR 118 Ca 0.38 0.29 -0.08 0.00 -1.41 0.00 0.00 57.07 56.25 1g1r s TYR 118 Cb -0.09 -0.01 -0.01 0.00 -1.10 0.00 0.00 41.96 40.75 1g1r s TYR 118 CO 0.33 -0.08 0.11 0.99 -2.51 0.00 0.00 175.55 174.40 1g1r s THR 119 N 0.38 4.35 0.13 -3.49 2.01 0.13 -3.10 115.64 116.05 1g1r s THR 119 Ca -0.03 -0.46 -0.32 0.00 0.31 0.00 0.00 61.69 61.19 1g1r s THR 119 Cb -0.04 -3.19 -0.12 0.00 0.01 0.00 0.00 72.50 69.16 1g1r s THR 119 CO -0.01 0.12 1.77 0.00 -0.69 0.00 0.00 174.62 175.81 1g1r n ALA 120 N 4.94 2.09 0.10 7.40 0.00 -1.26 -1.43 120.51 132.34 1g1r n ALA 120 Ca -0.14 0.35 0.04 0.00 0.00 0.00 0.00 53.44 53.69 1g1r n ALA 120 Cb 0.49 -2.53 -0.00 0.00 0.00 0.00 0.00 19.45 17.41 1g1r n ALA 120 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1g1r h SER 121 N 7.75 0.00 -2.45 0.00 0.02 -1.89 -3.43 113.55 113.55 1g1r h SER 121 Ca -0.46 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 59.96 1g1r h SER 121 Cb 1.23 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.69 1g1r h SER 121 CO 0.94 0.37 1.07 0.00 -1.14 0.00 0.00 176.83 178.07 1g1r n GLN 123 N 9.24 0.00 0.02 0.00 1.13 -1.26 -5.05 117.38 121.45 1g1r n GLN 123 Ca 0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1g1r n GLN 123 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.84 1g1r n GLN 123 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1g1r n ASP 124 N 0.00 0.31 0.00 1.08 2.03 -1.26 -4.71 116.55 114.00 1g1r n ASP 124 Ca 0.00 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1g1r n ASP 124 Cb 0.00 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 1g1r n ASP 124 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1g1r n MET 125 N -2.81 0.00 -2.11 -0.67 1.56 -1.26 -4.11 117.12 107.73 1g1r n MET 125 Ca 0.00 0.14 -0.41 0.00 -0.27 0.00 0.00 57.70 57.16 1g1r n MET 125 Cb 0.00 -1.55 -0.02 0.00 2.15 0.00 0.00 33.22 33.80 1g1r n MET 125 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1g1r s SER 126 N -2.11 6.77 -1.68 6.12 0.01 -1.26 -1.77 113.70 119.76 1g1r s SER 126 Ca 0.00 2.65 0.00 0.00 1.31 0.00 0.00 55.95 59.91 1g1r s SER 126 Cb 0.00 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1g1r s SER 126 CO 0.00 -0.56 0.00 0.00 0.41 0.00 0.00 173.24 173.09 1g1r n SER 128 N -1.68 -0.28 -0.70 0.00 7.64 -0.73 0.68 113.62 118.55 1g1r n SER 128 Ca -0.23 -0.86 -0.03 0.00 1.01 0.00 0.00 58.87 58.76 1g1r n SER 128 Cb 0.67 -1.08 -0.01 0.00 -1.01 0.00 0.00 64.21 62.78 1g1r n SER 128 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1g1r n LYS 129 N -3.18 -1.44 -2.67 1.43 5.02 -1.11 -4.73 118.16 111.48 1g1r n LYS 129 Ca -0.07 0.20 -0.24 0.00 -2.02 0.00 0.00 58.31 56.17 1g1r n LYS 129 Cb 0.39 -3.83 -0.01 0.00 -0.02 0.00 0.00 35.03 31.56 1g1r n LYS 129 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1g1r n GLN 130 N -0.72 2.92 0.00 1.97 6.02 0.21 -5.04 117.38 122.75 1g1r n GLN 130 Ca -0.03 -4.37 0.00 0.00 -0.01 0.00 0.00 57.00 52.59 1g1r n GLN 130 Cb 0.13 -2.08 0.00 0.00 1.02 0.00 0.00 30.24 29.30 1g1r n GLN 130 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g1r n GLY 131 N -0.31 2.62 3.86 1.08 0.00 -1.24 -3.28 105.19 107.92 1g1r n GLY 131 Ca 0.32 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 1g1r n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1g1r s GLU 132 N -2.05 3.91 -0.25 1.61 2.12 0.66 -4.82 118.70 119.89 1g1r s GLU 132 Ca 0.00 0.45 -0.09 0.00 0.36 0.00 0.00 54.97 55.69 1g1r s GLU 132 Cb 0.00 -2.68 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 1g1r s GLU 132 CO 0.00 0.32 0.12 0.00 -0.54 0.00 0.00 175.26 175.16 1g1r s LEU 134 N 1.45 3.44 0.16 0.00 1.02 -0.45 -4.97 118.68 119.32 1g1r s LEU 134 Ca 0.06 -0.00 -0.19 0.00 0.02 0.00 0.00 54.13 54.02 1g1r s LEU 134 Cb -0.15 -1.82 -0.08 0.00 0.02 0.00 0.00 46.19 44.17 1g1r s LEU 134 CO 0.06 0.25 0.65 -1.61 0.02 0.00 0.00 176.35 175.72 1g1r s GLU 135 N -0.11 4.21 0.38 1.70 0.41 -1.26 -1.09 118.70 122.94 1g1r s GLU 135 Ca 0.04 0.78 0.04 0.00 -0.41 0.00 0.00 54.97 55.41 1g1r s GLU 135 Cb -0.13 -3.02 -0.03 0.00 -1.78 0.00 0.00 34.13 29.17 1g1r s GLU 135 CO 0.02 0.49 0.12 0.95 -0.49 0.00 0.00 175.26 176.35 1g1r s THR 136 N -1.37 0.70 -0.63 3.63 -4.23 -1.21 -4.80 115.64 107.73 1g1r s THR 136 Ca 0.38 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.62 1g1r s THR 136 Cb -0.18 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 1g1r s THR 136 CO 0.21 0.00 1.93 -0.63 -0.54 0.00 0.00 174.62 175.59 1g1r s ILE 137 N -3.26 3.32 0.00 2.99 1.01 -1.26 -0.03 121.20 123.96 1g1r s ILE 137 Ca 0.27 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1g1r s ILE 137 Cb 0.04 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1g1r s ILE 137 CO 0.15 -0.81 0.00 0.61 0.00 0.00 0.00 174.94 174.89 1g1r n GLY 138 N 5.87 0.38 0.00 6.18 0.00 0.69 -4.91 105.19 113.41 1g1r n GLY 138 Ca 0.25 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1g1r n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1g1r n ASN 139 N 1.99 0.00 0.00 1.61 5.15 -1.15 -4.86 115.26 118.00 1g1r n ASN 139 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1g1r n ASN 139 Cb 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.39 1g1r n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1g1r n TYR 140 N 0.00 0.00 -3.97 1.20 4.11 -1.26 -2.93 117.16 114.31 1g1r n TYR 140 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.81 1g1r n TYR 140 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.28 1g1r n TYR 140 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1g1r s THR 141 N -2.22 0.02 -0.06 -3.48 -4.23 -0.25 -4.82 115.64 100.60 1g1r s THR 141 Ca 0.00 -1.37 0.05 0.00 -1.18 0.00 0.00 61.69 59.19 1g1r s THR 141 Cb 0.00 -2.08 -0.00 0.00 1.34 0.00 0.00 72.50 71.75 1g1r s THR 141 CO 0.00 -0.07 -0.20 0.00 -0.54 0.00 0.00 174.62 173.81 1g1r s SER 143 N 0.11 5.43 -0.12 0.00 0.01 0.39 -4.93 113.70 114.59 1g1r s SER 143 Ca -0.08 -0.12 -0.19 0.00 1.31 0.00 0.00 55.95 56.88 1g1r s SER 143 Cb -0.14 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 1g1r s SER 143 CO 0.04 -0.01 0.50 0.00 0.41 0.00 0.00 173.24 174.17 1g1r n TYR 145 N 3.78 2.75 -1.30 0.00 4.01 -1.21 -4.76 117.16 120.44 1g1r n TYR 145 Ca -0.06 0.37 -0.51 0.00 -0.16 0.00 0.00 57.90 57.53 1g1r n TYR 145 Cb 0.51 -2.54 -0.07 0.00 -0.31 0.00 0.00 39.34 36.93 1g1r n TYR 145 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1g1r n PRO 146 N 1.46 0.00 0.00 -0.72 -0.02 -1.26 -2.66 135.00 131.80 1g1r n PRO 146 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1g1r n PRO 146 Cb 0.37 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1g1r n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g1r n GLY 147 N 1.42 1.19 2.95 -1.23 0.00 -1.26 -5.09 105.19 103.17 1g1r n GLY 147 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1g1r n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1g1r s PHE 148 N -2.07 0.61 0.40 1.61 0.40 -1.09 -1.78 117.98 116.07 1g1r s PHE 148 Ca 0.00 -0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.24 1g1r s PHE 148 Cb 0.00 -0.45 -0.04 0.00 0.51 0.00 0.00 43.02 43.03 1g1r s PHE 148 CO 0.00 -0.06 0.07 1.52 0.70 0.00 0.00 175.22 177.44 1g1r s TYR 149 N 0.17 1.96 0.00 0.36 1.13 -0.77 -4.64 117.35 115.55 1g1r s TYR 149 Ca -0.02 -1.03 0.00 0.00 -1.41 0.00 0.00 57.07 54.61 1g1r s TYR 149 Cb -0.06 -1.36 0.00 0.00 -1.10 0.00 0.00 41.96 39.44 1g1r s TYR 149 CO -0.00 0.00 0.00 0.41 -2.51 0.00 0.00 175.55 173.45 1g1r n GLY 150 N -0.90 1.82 0.08 5.49 0.00 -1.26 -1.85 105.19 108.58 1g1r n GLY 150 Ca -0.07 -2.16 0.13 0.00 0.00 0.00 0.00 46.02 43.92 1g1r n GLY 150 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1g1r n PRO 151 N -0.39 0.24 -0.19 1.61 -0.04 -1.26 -3.07 135.00 131.89 1g1r n PRO 151 Ca 0.00 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 1g1r n PRO 151 Cb 0.00 -1.72 0.10 0.00 -0.04 0.00 0.00 33.50 31.83 1g1r n PRO 151 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1g1r n GLU 152 N -2.11 0.92 -4.22 0.54 -0.58 -1.26 -4.25 120.64 109.66 1g1r n GLU 152 Ca 0.05 -2.11 -0.37 0.00 -0.42 0.00 0.00 57.16 54.32 1g1r n GLU 152 Cb 0.42 -1.20 -0.03 0.00 -0.57 0.00 0.00 31.44 30.05 1g1r n GLU 152 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g1r h GLU 154 N -1.34 0.00 -6.51 0.00 9.09 -1.80 -3.43 114.58 110.58 1g1r h GLU 154 Ca -0.58 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.31 1g1r h GLU 154 Cb 1.37 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.44 1g1r h GLU 154 CO 0.78 0.49 0.12 0.71 0.05 0.00 0.00 179.01 181.16 1g1r s TYR 155 N -2.72 3.76 -0.12 2.06 2.02 -0.77 -4.99 117.35 116.59 1g1r s TYR 155 Ca -0.03 1.46 -0.01 0.00 -0.37 0.00 0.00 57.07 58.12 1g1r s TYR 155 Cb 0.08 -2.66 -0.02 0.00 -0.40 0.00 0.00 41.96 38.96 1g1r s TYR 155 CO 0.82 0.43 -0.07 0.08 -1.57 0.00 0.00 175.55 175.23 1g1r s VAL 156 N -1.34 3.59 0.69 0.71 1.01 -1.26 -1.85 120.40 121.94 1g1r s VAL 156 Ca 0.39 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 1g1r s VAL 156 Cb -0.19 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1g1r s VAL 156 CO 0.23 0.53 1.17 -0.13 0.00 0.00 0.00 175.10 176.90 1g1r s ARG 157 N 0.02 2.44 0.00 2.72 1.81 -0.73 -4.97 118.95 120.24 1g1r s ARG 157 Ca -0.01 1.63 0.00 0.00 -1.72 0.00 0.00 55.73 55.63 1g1r s ARG 157 Cb -0.14 -1.88 0.00 0.00 -0.45 0.00 0.00 34.95 32.48 1g1r s ARG 157 CO 0.03 -1.57 0.00 -0.25 -0.68 0.00 0.00 175.30 172.83 1g1r n ASP 158 N -2.51 0.00 -4.79 0.23 8.00 -1.26 -4.98 116.55 111.24 1g1r n ASP 158 Ca 0.12 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.25 1g1r n ASP 158 Cb 0.51 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 1g1r n ASP 158 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1g1r s ASP 159 N -3.43 7.29 0.00 -2.24 1.01 -1.26 -5.22 116.67 112.82 1g1r s ASP 159 Ca 0.00 1.71 0.00 0.00 0.71 0.00 0.00 52.55 54.97 1g1r s ASP 159 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1g1r s ASP 159 CO 0.00 0.01 0.11 0.47 0.21 0.00 0.00 175.17 175.97