#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 4.66 0.10 -1.67 -4.23 -0.33 -1.45 115.64 112.72 1g1r s THR 2 Ca 0.00 1.28 -0.06 0.00 -1.18 0.00 0.00 61.69 61.73 1g1r s THR 2 Cb 0.00 -3.93 -0.05 0.00 1.34 0.00 0.00 72.50 69.86 1g1r s THR 2 CO 0.00 0.49 0.35 -0.31 -0.54 0.00 0.00 174.62 174.61 1g1r s TYR 3 N -1.19 3.52 -0.17 3.99 2.02 -1.26 -0.86 117.35 123.40 1g1r s TYR 3 Ca 0.32 0.61 -0.13 0.00 -0.37 0.00 0.00 57.07 57.50 1g1r s TYR 3 Cb -0.20 -2.03 0.05 0.00 -0.40 0.00 0.00 41.96 39.38 1g1r s TYR 3 CO 0.21 0.50 0.44 -1.01 -1.57 0.00 0.00 175.55 174.11 1g1r s HIS 4 N -1.52 -0.55 0.05 2.71 3.76 0.87 -4.90 115.29 115.72 1g1r s HIS 4 Ca 0.36 1.25 0.04 0.00 -0.15 0.00 0.00 55.06 56.56 1g1r s HIS 4 Cb -0.13 0.22 -0.02 0.00 1.11 0.00 0.00 32.58 33.76 1g1r s HIS 4 CO 0.21 -0.28 -0.11 1.52 -0.85 0.00 0.00 174.74 175.23 1g1r s TYR 5 N 0.71 0.97 0.01 1.40 1.13 -1.26 0.58 117.35 120.89 1g1r s TYR 5 Ca -0.04 -0.43 -0.16 0.00 -1.41 0.00 0.00 57.07 55.03 1g1r s TYR 5 Cb -0.05 -0.57 -0.06 0.00 -1.10 0.00 0.00 41.96 40.18 1g1r s TYR 5 CO -0.05 -0.00 0.46 -1.54 -2.51 0.00 0.00 175.55 171.91 1g1r s SER 6 N -1.45 6.88 0.46 -0.18 1.04 -0.43 -4.97 113.70 115.05 1g1r s SER 6 Ca -0.04 1.04 0.25 0.00 0.48 0.00 0.00 55.95 57.68 1g1r s SER 6 Cb -0.09 -2.29 1.02 0.00 0.10 0.00 0.00 66.02 64.76 1g1r s SER 6 CO 0.01 0.28 1.87 0.71 0.98 0.00 0.00 173.24 177.09 1g1r h THR 7 N 3.74 0.53 -3.27 2.02 1.35 -1.99 -3.42 112.91 111.88 1g1r h THR 7 Ca -0.50 -1.01 -0.67 0.00 -0.55 0.00 0.00 66.41 63.67 1g1r h THR 7 Cb 1.21 1.69 -0.14 0.00 -1.73 0.00 0.00 68.15 69.19 1g1r h THR 7 CO 0.63 0.20 -0.61 -0.54 -0.25 0.00 0.00 175.52 174.95 1g1r s LYS 8 N -3.73 2.98 -0.02 4.72 1.02 -1.26 -5.06 119.74 118.39 1g1r s LYS 8 Ca 0.00 -0.44 -0.28 0.00 0.02 0.00 0.00 55.97 55.27 1g1r s LYS 8 Cb 0.11 -2.80 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1g1r s LYS 8 CO 0.62 0.69 0.89 0.00 -0.92 0.00 0.00 175.35 176.64 1g1r s ALA 9 N -0.96 3.21 0.23 5.17 0.00 -1.26 -4.49 121.76 123.67 1g1r s ALA 9 Ca 0.15 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.57 1g1r s ALA 9 Cb -0.11 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 1g1r s ALA 9 CO 0.05 -0.19 -0.01 0.71 0.00 0.00 0.00 175.76 176.33 1g1r s TYR 10 N 0.93 1.58 0.65 0.00 2.02 0.20 -4.45 117.35 118.28 1g1r s TYR 10 Ca 0.47 -0.92 -0.18 0.00 -0.37 0.00 0.00 57.07 56.08 1g1r s TYR 10 Cb -0.20 -0.91 -0.01 0.00 -0.40 0.00 0.00 41.96 40.44 1g1r s TYR 10 CO 0.25 -0.03 1.29 -1.54 -1.57 0.00 0.00 175.55 173.95 1g1r s SER 11 N -3.31 4.57 0.56 2.29 1.04 -1.26 -1.44 113.70 116.15 1g1r s SER 11 Ca 0.28 2.62 0.34 0.00 0.48 0.00 0.00 55.95 59.67 1g1r s SER 11 Cb 0.06 -2.62 1.47 0.00 0.10 0.00 0.00 66.02 65.02 1g1r s SER 11 CO 0.09 -2.03 1.76 -0.25 0.98 0.00 0.00 173.24 173.79 1g1r h TRP 12 N 0.50 0.00 0.00 5.02 7.01 -1.39 0.23 115.95 127.33 1g1r h TRP 12 Ca -0.51 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.49 1g1r h TRP 12 Cb 1.34 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.40 1g1r h TRP 12 CO 0.41 0.00 -0.05 -0.91 -2.79 0.00 0.00 178.44 175.10 1g1r h ASN 13 N 0.00 0.00 -1.14 2.65 2.35 -1.88 -2.40 115.58 115.15 1g1r h ASN 13 Ca 0.48 0.00 0.33 0.00 -0.55 0.00 0.00 56.30 56.57 1g1r h ASN 13 Cb 2.14 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 40.46 1g1r h ASN 13 CO -0.01 0.39 0.95 0.40 -1.65 0.00 0.00 177.43 177.52 1g1r h ILE 14 N -0.72 0.24 0.13 2.81 2.04 -1.72 0.29 117.51 120.58 1g1r h ILE 14 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1g1r h ILE 14 Cb 0.05 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1g1r h ILE 14 CO 0.00 0.00 -0.06 0.28 0.00 0.00 0.00 178.15 178.37 1g1r h SER 15 N 0.00 -0.15 0.38 1.72 0.02 -0.63 -2.66 113.55 112.24 1g1r h SER 15 Ca 0.54 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1g1r h SER 15 Cb 2.45 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 65.03 1g1r h SER 15 CO -0.01 0.37 -0.01 -0.09 -1.14 0.00 0.00 176.83 175.95 1g1r h ARG 16 N -0.73 0.00 0.13 3.45 2.43 0.04 -1.45 114.38 118.26 1g1r h ARG 16 Ca -0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1g1r h ARG 16 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1g1r h ARG 16 CO 0.03 0.01 -0.06 0.87 -1.51 0.00 0.00 179.97 179.30 1g1r h LYS 17 N 0.00 -0.17 -1.05 0.20 1.57 -1.05 -2.29 116.57 113.78 1g1r h LYS 17 Ca -0.00 0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.06 1g1r h LYS 17 Cb 0.20 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.45 1g1r h LYS 17 CO 0.00 0.22 0.66 -0.92 -0.57 0.00 0.00 179.45 178.85 1g1r h TYR 18 N -0.62 0.71 -0.18 -1.35 5.03 -0.91 0.94 116.97 120.60 1g1r h TYR 18 Ca -0.02 0.02 -0.21 0.00 2.58 0.00 0.00 58.73 61.11 1g1r h TYR 18 Cb 0.48 -0.20 0.01 0.00 1.55 0.00 0.00 36.73 38.56 1g1r h TYR 18 CO 0.06 0.05 -0.70 0.00 -1.32 0.00 0.00 178.16 176.25 1g1r h GLN 20 N 0.51 0.00 0.06 0.00 4.20 -0.28 0.55 115.11 120.16 1g1r h GLN 20 Ca -0.04 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.40 1g1r h GLN 20 Cb 1.33 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 1g1r h GLN 20 CO 0.15 0.40 -1.39 -0.91 -0.67 0.00 0.00 178.83 176.41 1g1r h ASN 21 N 0.00 0.21 0.00 1.46 -0.26 -1.34 -3.39 115.58 112.26 1g1r h ASN 21 Ca -0.00 -0.28 -0.36 0.00 -0.56 0.00 0.00 56.30 55.09 1g1r h ASN 21 Cb 0.97 -0.07 -0.07 0.00 -1.06 0.00 0.00 38.32 38.10 1g1r h ASN 21 CO 0.05 1.23 -2.37 0.54 -1.06 0.00 0.00 177.43 175.82 1g1r n ARG 22 N -3.35 0.71 0.00 0.81 1.74 -1.20 -5.05 116.66 110.32 1g1r n ARG 22 Ca -0.11 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1g1r n ARG 22 Cb 1.01 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.96 1g1r n ARG 22 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1g1r n TYR 23 N -3.02 0.00 -0.06 -1.55 4.01 0.19 -5.06 117.16 111.66 1g1r n TYR 23 Ca -0.39 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.28 1g1r n TYR 23 Cb 1.03 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.04 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 1.33 -4.01 -0.72 -1.04 -1.01 -4.53 114.28 104.31 1g1r n THR 24 Ca 0.00 0.20 0.03 0.00 -2.04 0.00 0.00 64.05 62.25 1g1r n THR 24 Cb 0.00 -2.15 0.01 0.00 -1.82 0.00 0.00 70.33 66.37 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 -4.15 -1.13 -4.67 8.00 -0.08 -1.22 -4.18 116.55 109.13 1g1r n ASP 25 Ca -0.11 -1.20 -0.45 0.00 -1.51 0.00 0.00 54.79 51.52 1g1r n ASP 25 Cb 0.40 1.74 -0.03 0.00 2.34 0.00 0.00 41.12 45.57 1g1r n ASP 25 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1g1r n LEU 26 N 0.00 3.04 -4.55 -2.67 4.77 -1.26 -2.45 117.00 113.88 1g1r n LEU 26 Ca 0.05 1.13 -0.47 0.00 -0.03 0.00 0.00 56.01 56.69 1g1r n LEU 26 Cb 0.56 -1.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.20 1g1r n LEU 26 CO 0.14 -0.49 0.50 1.33 -1.33 0.00 0.00 177.39 177.54 1g1r n VAL 27 N 2.10 1.61 -4.54 4.08 0.24 -0.39 -4.10 118.33 117.34 1g1r n VAL 27 Ca 0.12 -0.40 -0.33 0.00 -2.04 0.00 0.00 64.34 61.69 1g1r n VAL 27 Cb 0.31 -0.73 -0.15 0.00 -1.47 0.00 0.00 33.84 31.80 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 -0.76 2.62 0.25 2.33 0.00 -1.26 -0.97 121.76 123.97 1g1r s ALA 28 Ca 0.65 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 51.51 1g1r s ALA 28 Cb -0.81 -1.30 -0.08 0.00 0.00 0.00 0.00 23.12 20.93 1g1r s ALA 28 CO 0.57 0.05 0.61 0.42 0.00 0.00 0.00 175.76 177.41 1g1r s ILE 29 N 0.69 4.84 0.00 0.00 1.01 -1.26 -5.02 121.20 121.45 1g1r s ILE 29 Ca -0.06 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.26 1g1r s ILE 29 Cb -0.15 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1g1r s ILE 29 CO 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 174.94 174.88 1g1r n GLN 30 N -0.13 0.00 -3.93 2.79 6.02 -1.26 -4.89 117.38 115.98 1g1r n GLN 30 Ca 0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.91 1g1r n GLN 30 Cb 0.53 -0.62 -0.07 0.00 1.02 0.00 0.00 30.24 31.09 1g1r n GLN 30 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1g1r s ASN 31 N -4.72 0.13 0.54 1.08 2.20 -1.26 -3.08 114.94 109.82 1g1r s ASN 31 Ca 0.00 -0.79 0.22 0.00 -0.94 0.00 0.00 52.86 51.36 1g1r s ASN 31 Cb 0.00 0.36 1.42 0.00 -2.00 0.00 0.00 41.25 41.03 1g1r s ASN 31 CO 0.00 -0.78 2.10 0.11 -2.94 0.00 0.00 177.10 175.59 1g1r h LYS 32 N 2.71 0.00 -0.27 3.55 1.79 -1.89 -2.19 116.57 120.26 1g1r h LYS 32 Ca -0.33 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.20 1g1r h LYS 32 Cb 1.21 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.80 1g1r h LYS 32 CO 0.54 0.00 -0.11 -0.91 -1.08 0.00 0.00 179.45 177.90 1g1r h ASN 33 N 0.00 -0.36 -0.11 0.86 4.21 -1.96 0.34 115.58 118.55 1g1r h ASN 33 Ca 0.10 0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.69 1g1r h ASN 33 Cb 0.42 0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.83 1g1r h ASN 33 CO -0.00 -0.14 0.01 -0.33 -1.29 0.00 0.00 177.43 175.68 1g1r h GLU 34 N -0.06 0.19 -1.12 0.81 5.08 -1.83 -1.47 114.58 116.17 1g1r h GLU 34 Ca 0.14 -0.05 0.33 0.00 -1.00 0.00 0.00 59.36 58.77 1g1r h GLU 34 Cb 0.27 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.38 1g1r h GLU 34 CO -0.31 0.41 0.71 0.82 -1.00 0.00 0.00 179.01 179.64 1g1r h ILE 35 N -0.06 0.36 0.00 3.13 2.04 -1.03 -1.17 117.51 120.78 1g1r h ILE 35 Ca 0.03 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1g1r h ILE 35 Cb 0.32 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1g1r h ILE 35 CO 0.00 0.05 0.00 -0.67 0.00 0.00 0.00 178.15 177.54 1g1r n ASP 36 N -4.71 0.00 -0.28 1.72 -0.08 0.11 -2.19 116.55 111.11 1g1r n ASP 36 Ca 0.30 0.86 -0.03 0.00 -1.51 0.00 0.00 54.79 54.41 1g1r n ASP 36 Cb 1.07 -0.37 -0.00 0.00 2.34 0.00 0.00 41.12 44.15 1g1r n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1g1r n TYR 37 N -1.62 -0.08 0.01 -0.67 9.36 -0.72 -1.01 117.16 122.43 1g1r n TYR 37 Ca 0.00 0.89 -0.14 0.00 3.32 0.00 0.00 57.90 61.97 1g1r n TYR 37 Cb 0.00 -0.70 -0.09 0.00 -0.63 0.00 0.00 39.34 37.92 1g1r n TYR 37 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1g1r h LEU 38 N 0.00 -1.56 -1.02 2.98 3.38 -1.22 0.35 115.31 118.22 1g1r h LEU 38 Ca 0.21 0.18 0.26 0.00 0.09 0.00 0.00 57.88 58.62 1g1r h LEU 38 Cb 0.39 0.60 -0.13 0.00 0.09 0.00 0.00 40.66 41.62 1g1r h LEU 38 CO -0.70 -0.45 0.60 -1.13 0.09 0.00 0.00 178.44 176.84 1g1r h ASN 39 N -0.56 0.64 0.24 -0.43 -1.24 -0.58 -1.82 115.58 111.83 1g1r h ASN 39 Ca 0.02 0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 1g1r h ASN 39 Cb 0.64 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.73 1g1r h ASN 39 CO -0.38 0.07 -0.12 0.07 -1.29 0.00 0.00 177.43 175.79 1g1r h LYS 40 N 0.54 -0.32 -0.27 6.67 2.10 0.17 -3.39 116.57 122.08 1g1r h LYS 40 Ca 0.66 0.02 -0.13 0.00 -2.00 0.00 0.00 60.65 59.20 1g1r h LYS 40 Cb 1.30 0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 32.70 1g1r h LYS 40 CO -0.48 0.05 -0.35 -0.39 -2.00 0.00 0.00 179.45 176.27 1g1r h VAL 41 N -0.85 1.30 -3.30 0.07 -1.51 -0.04 -3.46 116.25 108.47 1g1r h VAL 41 Ca -0.03 -1.54 -0.53 0.00 -1.23 0.00 0.00 66.70 63.37 1g1r h VAL 41 Cb 0.51 1.66 0.04 0.00 -2.13 0.00 0.00 31.29 31.38 1g1r h VAL 41 CO 0.06 0.49 0.72 -0.76 -1.23 0.00 0.00 177.57 176.85 1g1r s LEU 42 N -8.89 4.39 0.90 4.19 1.43 -0.72 -5.01 118.68 114.97 1g1r s LEU 42 Ca -0.12 2.52 -0.11 0.00 -1.03 0.00 0.00 54.13 55.40 1g1r s LEU 42 Cb 0.09 -3.61 0.13 0.00 0.03 0.00 0.00 46.19 42.82 1g1r s LEU 42 CO 0.84 -0.64 1.11 -2.16 0.23 0.00 0.00 176.35 175.73 1g1r s PRO 43 N -0.01 1.22 -0.17 1.29 0.04 -1.26 -4.84 135.00 131.28 1g1r s PRO 43 Ca 0.60 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.65 1g1r s PRO 43 Cb -0.39 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1g1r s PRO 43 CO 0.39 -2.38 0.54 -0.47 0.04 0.00 0.00 177.00 175.12 1g1r s TYR 44 N -2.76 3.43 -0.11 0.56 5.04 -1.26 -4.91 117.35 117.33 1g1r s TYR 44 Ca 0.65 0.87 0.03 0.00 -2.44 0.00 0.00 57.07 56.17 1g1r s TYR 44 Cb -0.20 -2.67 0.01 0.00 0.35 0.00 0.00 41.96 39.44 1g1r s TYR 44 CO 0.58 -0.03 -0.21 0.71 -1.34 0.00 0.00 175.55 175.27 1g1r s TYR 45 N 1.34 2.39 0.49 4.97 2.02 -1.26 -5.00 117.35 122.30 1g1r s TYR 45 Ca 0.26 -1.09 0.23 0.00 -0.37 0.00 0.00 57.07 56.11 1g1r s TYR 45 Cb -0.16 -1.64 1.28 0.00 -0.40 0.00 0.00 41.96 41.05 1g1r s TYR 45 CO 0.11 -0.49 1.92 0.66 -1.57 0.00 0.00 175.55 176.18 1g1r h SER 46 N 7.10 0.17 0.89 2.29 4.64 -1.96 0.27 113.55 126.93 1g1r h SER 46 Ca -0.27 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1g1r h SER 46 Cb 1.20 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1g1r h SER 46 CO 0.51 0.08 0.00 -1.20 -0.87 0.00 0.00 176.83 175.34 1g1r n SER 47 N -4.40 0.01 -1.37 4.97 7.64 -1.26 -5.03 113.62 114.19 1g1r n SER 47 Ca 0.15 0.50 0.18 0.00 1.01 0.00 0.00 58.87 60.72 1g1r n SER 47 Cb 0.71 -0.51 -0.05 0.00 -1.01 0.00 0.00 64.21 63.35 1g1r n SER 47 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1g1r n TYR 48 N -1.51 -3.43 -4.26 1.43 4.01 0.93 -4.65 117.16 109.67 1g1r n TYR 48 Ca 0.06 1.72 -0.23 0.00 -0.16 0.00 0.00 57.90 59.29 1g1r n TYR 48 Cb 0.30 -3.11 -0.07 0.00 -0.31 0.00 0.00 39.34 36.15 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 -2.34 2.70 -0.14 -0.72 1.51 -1.14 -2.42 117.35 114.80 1g1r s TYR 49 Ca 0.00 -0.26 -0.10 0.00 -1.01 0.00 0.00 57.07 55.70 1g1r s TYR 49 Cb 0.00 -1.29 -0.05 0.00 -0.11 0.00 0.00 41.96 40.52 1g1r s TYR 49 CO 0.00 0.57 0.19 -1.58 -1.11 0.00 0.00 175.55 173.62 1g1r s TRP 50 N -2.35 3.52 0.24 2.71 0.23 -1.13 0.59 118.94 122.76 1g1r s TRP 50 Ca 0.33 0.52 0.09 0.00 -2.03 0.00 0.00 56.10 55.01 1g1r s TRP 50 Cb -0.05 -2.12 -0.04 0.00 0.03 0.00 0.00 33.47 31.28 1g1r s TRP 50 CO 0.20 0.49 -0.03 0.96 0.96 0.00 0.00 176.95 179.53 1g1r s ILE 51 N -0.29 3.38 -1.14 2.03 -4.36 -0.73 -3.21 121.20 116.89 1g1r s ILE 51 Ca 0.14 -1.84 -0.13 0.00 -0.26 0.00 0.00 60.65 58.56 1g1r s ILE 51 Cb -0.12 -2.77 -0.07 0.00 1.25 0.00 0.00 42.46 40.75 1g1r s ILE 51 CO 0.03 -0.30 2.25 0.61 0.24 0.00 0.00 174.94 177.77 1g1r n GLY 52 N -0.62 3.48 3.14 6.27 0.00 -0.14 -4.63 105.19 112.68 1g1r n GLY 52 Ca -0.08 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 3.57 0.02 0.20 -0.61 2.07 -1.26 -1.51 121.20 123.69 1g1r s ILE 53 Ca 0.52 -0.20 -0.01 0.00 -1.41 0.00 0.00 60.65 59.55 1g1r s ILE 53 Cb 0.14 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.29 1g1r s ILE 53 CO -0.01 -0.11 0.14 -0.13 -1.91 0.00 0.00 174.94 172.92 1g1r s ARG 54 N -0.36 1.20 -0.38 3.50 1.81 0.28 -4.33 118.95 120.66 1g1r s ARG 54 Ca -0.05 -1.61 -0.06 0.00 -1.72 0.00 0.00 55.73 52.30 1g1r s ARG 54 Cb -0.03 0.28 0.07 0.00 -0.45 0.00 0.00 34.95 34.81 1g1r s ARG 54 CO 0.01 -0.39 0.17 0.21 -0.68 0.00 0.00 175.30 174.62 1g1r s LYS 55 N -4.15 2.46 -0.16 3.54 2.20 -1.26 0.19 119.74 122.56 1g1r s LYS 55 Ca 0.38 -1.43 -0.08 0.00 -0.36 0.00 0.00 55.97 54.47 1g1r s LYS 55 Cb 0.07 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1g1r s LYS 55 CO 0.11 -0.86 0.13 -0.80 -0.36 0.00 0.00 175.35 173.58 1g1r s ASN 56 N 1.75 6.25 1.65 1.43 0.01 -0.82 -4.83 114.94 120.39 1g1r s ASN 56 Ca 0.02 0.34 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 1g1r s ASN 56 Cb -0.22 -2.06 0.00 0.00 0.41 0.00 0.00 41.25 39.38 1g1r s ASN 56 CO 0.01 0.30 0.00 0.59 -1.51 0.00 0.00 177.10 176.48 1g1r n ASN 57 N 2.73 0.00 0.00 -1.22 4.13 -1.26 -1.38 115.26 118.27 1g1r n ASN 57 Ca -0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.08 1g1r n ASN 57 Cb 0.54 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 1g1r n ASN 57 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1g1r n LYS 58 N 13.31 -0.10 -3.30 3.52 4.81 -1.26 -5.02 118.16 130.11 1g1r n LYS 58 Ca 0.00 -0.59 -0.39 0.00 -0.87 0.00 0.00 58.31 56.46 1g1r n LYS 58 Cb 0.00 -0.90 -0.08 0.00 0.02 0.00 0.00 35.03 34.08 1g1r n LYS 58 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1g1r s THR 59 N -0.17 5.12 0.10 3.15 2.01 -0.48 -5.06 115.64 120.32 1g1r s THR 59 Ca 0.00 0.78 -0.30 0.00 0.31 0.00 0.00 61.69 62.48 1g1r s THR 59 Cb 0.00 -3.78 -0.06 0.00 0.01 0.00 0.00 72.50 68.67 1g1r s THR 59 CO 0.00 0.15 1.17 0.26 -0.69 0.00 0.00 174.62 175.51 1g1r s TRP 60 N 1.98 3.48 0.00 4.92 0.52 -1.26 -1.94 118.94 126.64 1g1r s TRP 60 Ca 0.20 1.39 0.03 0.00 0.02 0.00 0.00 56.10 57.74 1g1r s TRP 60 Cb -0.15 -3.38 -0.01 0.00 -1.15 0.00 0.00 33.47 28.78 1g1r s TRP 60 CO 0.09 -1.08 -0.09 0.99 0.02 0.00 0.00 176.95 176.88 1g1r s THR 61 N 0.65 0.70 -0.14 2.01 2.01 0.50 -2.02 115.64 119.36 1g1r s THR 61 Ca 0.56 -0.49 -0.29 0.00 0.31 0.00 0.00 61.69 61.78 1g1r s THR 61 Cb -0.29 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.59 1g1r s THR 61 CO 0.31 0.12 0.98 0.26 -0.69 0.00 0.00 174.62 175.60 1g1r s TRP 62 N -0.37 3.47 -1.15 4.92 0.52 -0.80 0.99 118.94 126.52 1g1r s TRP 62 Ca 0.02 1.51 0.12 0.00 0.02 0.00 0.00 56.10 57.77 1g1r s TRP 62 Cb -0.04 -3.17 0.55 0.00 -1.15 0.00 0.00 33.47 29.66 1g1r s TRP 62 CO -0.00 -0.27 1.36 1.33 0.02 0.00 0.00 176.95 179.39 1g1r n VAL 63 N 4.71 1.00 -0.08 4.03 0.24 -0.57 -0.43 118.33 127.23 1g1r n VAL 63 Ca 0.08 0.25 -0.15 0.00 -2.04 0.00 0.00 64.34 62.48 1g1r n VAL 63 Cb 0.48 -1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 31.75 1g1r n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1g1r n GLY 64 N -0.24 -0.24 0.11 7.63 0.00 -1.26 -4.54 105.19 106.64 1g1r n GLY 64 Ca 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1g1r n GLY 64 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1g1r h THR 65 N -0.38 1.52 0.00 2.61 1.35 -1.92 -3.46 112.91 112.63 1g1r h THR 65 Ca -0.39 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 62.91 1g1r h THR 65 Cb 1.41 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 1g1r h THR 65 CO -0.18 0.73 0.00 1.17 -0.25 0.00 0.00 175.52 176.99 1g1r n LYS 66 N -3.64 -0.07 -1.52 4.72 3.00 0.43 -4.99 118.16 116.09 1g1r n LYS 66 Ca -0.01 0.02 -0.29 0.00 -0.00 0.00 0.00 58.31 58.03 1g1r n LYS 66 Cb 0.73 -3.01 0.18 0.00 0.00 0.00 0.00 35.03 32.92 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 -0.25 0.27 0.15 1.64 1.02 -1.25 -4.74 119.74 116.59 1g1r s LYS 67 Ca 0.00 -0.03 0.06 0.00 0.02 0.00 0.00 55.97 56.01 1g1r s LYS 67 Cb 0.00 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.50 1g1r s LYS 67 CO 0.00 -2.72 0.07 0.00 -0.92 0.00 0.00 175.35 171.78 1g1r s ALA 68 N -3.39 3.41 0.29 5.17 0.00 -1.26 -1.91 121.76 124.07 1g1r s ALA 68 Ca 0.69 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 1g1r s ALA 68 Cb -0.10 -1.22 -0.11 0.00 0.00 0.00 0.00 23.12 21.70 1g1r s ALA 68 CO 0.54 0.54 1.47 -1.17 0.00 0.00 0.00 175.76 177.14 1g1r s LEU 69 N -2.91 4.37 0.32 0.00 2.96 -0.86 -4.92 118.68 117.64 1g1r s LEU 69 Ca 0.29 2.81 0.08 0.00 -0.22 0.00 0.00 54.13 57.10 1g1r s LEU 69 Cb -0.10 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1g1r s LEU 69 CO 0.21 -0.77 0.13 0.42 -1.32 0.00 0.00 176.35 175.02 1g1r s THR 70 N -0.35 3.25 -0.82 3.68 -4.23 -1.26 -4.96 115.64 110.94 1g1r s THR 70 Ca 0.58 -1.69 0.19 0.00 -1.18 0.00 0.00 61.69 59.59 1g1r s THR 70 Cb -0.44 -3.00 0.18 0.00 1.34 0.00 0.00 72.50 70.58 1g1r s THR 70 CO 0.49 -0.23 1.60 0.59 -0.54 0.00 0.00 174.62 176.53 1g1r n ASN 71 N -1.12 0.25 0.11 3.99 3.02 -1.26 0.45 115.26 120.70 1g1r n ASN 71 Ca -0.04 0.56 -0.23 0.00 -0.03 0.00 0.00 54.58 54.83 1g1r n ASN 71 Cb 0.60 -0.61 -0.15 0.00 -0.61 0.00 0.00 39.78 39.01 1g1r n ASN 71 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1g1r h GLU 72 N 0.00 0.46 0.16 3.52 3.07 -1.95 -3.37 114.58 116.47 1g1r h GLU 72 Ca 0.00 -0.78 -0.31 0.00 -0.50 0.00 0.00 59.36 57.77 1g1r h GLU 72 Cb 0.34 0.29 0.01 0.00 -0.84 0.00 0.00 28.75 28.55 1g1r h GLU 72 CO 0.00 1.37 -1.54 0.00 -1.40 0.00 0.00 179.01 177.45 1g1r h ALA 73 N 0.12 0.12 -0.81 3.43 0.00 -1.33 -3.23 119.26 117.56 1g1r h ALA 73 Ca -0.23 -1.07 -0.64 0.00 0.00 0.00 0.00 54.91 52.96 1g1r h ALA 73 Cb 2.01 0.42 0.04 0.00 0.00 0.00 0.00 17.79 20.26 1g1r h ALA 73 CO 0.23 0.88 0.10 -1.91 0.00 0.00 0.00 179.25 178.54 1g1r n GLU 74 N -3.77 0.00 -1.78 0.00 0.00 0.17 -4.82 120.64 110.44 1g1r n GLU 74 Ca -0.24 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 56.88 1g1r n GLU 74 Cb 0.99 -1.21 0.02 0.00 0.00 0.00 0.00 31.44 31.24 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 1.41 -1.00 -4.67 4.31 5.15 -1.26 -4.96 115.26 114.25 1g1r n ASN 75 Ca 0.17 -2.09 -0.45 0.00 -0.60 0.00 0.00 54.58 51.61 1g1r n ASN 75 Cb 0.05 0.40 -0.02 0.00 -0.53 0.00 0.00 39.78 39.68 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 -0.64 2.10 -0.44 1.20 7.02 -1.26 -1.56 117.44 123.86 1g1r n TRP 76 Ca -0.21 0.48 -0.29 0.00 -1.02 0.00 0.00 57.50 56.46 1g1r n TRP 76 Cb 0.80 -2.43 0.26 0.00 -2.42 0.00 0.00 31.31 27.51 1g1r n TRP 76 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1g1r n ALA 77 N 1.52 -3.62 -1.87 6.99 0.00 0.35 -4.63 120.51 119.25 1g1r n ALA 77 Ca 0.10 -1.40 -0.42 0.00 0.00 0.00 0.00 53.44 51.72 1g1r n ALA 77 Cb 0.32 -1.80 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 1g1r n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1g1r s ASP 78 N -2.42 6.28 0.00 0.00 -0.00 -1.26 -2.53 116.67 116.74 1g1r s ASP 78 Ca 0.66 2.10 0.00 0.00 -0.00 0.00 0.00 52.55 55.31 1g1r s ASP 78 Cb -0.21 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.19 1g1r s ASP 78 CO 0.63 -1.26 0.00 0.59 -0.00 0.00 0.00 175.17 175.13 1g1r n ASN 79 N 8.52 0.00 -4.83 0.27 5.03 -1.26 -5.05 115.26 117.93 1g1r n ASN 79 Ca 0.21 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.33 1g1r n ASN 79 Cb 0.43 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.14 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 -0.61 4.08 0.20 3.52 0.41 -1.05 -4.11 118.70 121.15 1g1r s GLU 80 Ca 0.00 0.97 -0.28 0.00 -0.41 0.00 0.00 54.97 55.26 1g1r s GLU 80 Cb 0.00 -2.21 -0.08 0.00 -1.78 0.00 0.00 34.13 30.06 1g1r s GLU 80 CO 0.00 -0.08 0.85 -1.25 -0.49 0.00 0.00 175.26 174.29 1g1r s PRO 81 N -3.48 4.70 -0.02 0.39 0.04 -1.26 -4.51 135.00 130.85 1g1r s PRO 81 Ca 0.59 1.31 0.06 0.00 0.04 0.00 0.00 61.00 63.00 1g1r s PRO 81 Cb -0.10 -3.27 0.13 0.00 0.04 0.00 0.00 34.50 31.30 1g1r s PRO 81 CO 0.21 0.55 1.10 0.27 0.04 0.00 0.00 177.00 179.16 1g1r n ASN 82 N 1.56 2.34 -4.69 6.66 6.94 -1.26 -5.02 115.26 121.79 1g1r n ASN 82 Ca -0.04 -2.19 -0.25 0.00 -0.02 0.00 0.00 54.58 52.09 1g1r n ASN 82 Cb 0.48 -0.13 -0.07 0.00 -2.36 0.00 0.00 39.78 37.70 1g1r n ASN 82 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1g1r s ASN 83 N -1.28 4.87 0.00 0.53 0.01 -1.26 -5.03 114.94 112.78 1g1r s ASN 83 Ca 0.11 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 1g1r s ASN 83 Cb 0.08 -1.05 0.00 0.00 0.41 0.00 0.00 41.25 40.69 1g1r s ASN 83 CO 0.04 0.04 0.00 2.29 -1.51 0.00 0.00 177.10 177.96 1g1r n LYS 84 N -0.57 0.08 -1.26 -0.60 2.85 -1.26 -5.00 118.16 112.40 1g1r n LYS 84 Ca -0.08 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.81 1g1r n LYS 84 Cb 0.57 -0.85 0.06 0.00 -0.65 0.00 0.00 35.03 34.16 1g1r n LYS 84 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1g1r n ARG 85 N -2.18 0.28 -1.89 -1.58 1.74 -1.26 -4.93 116.66 106.84 1g1r n ARG 85 Ca 0.00 0.13 -0.33 0.00 -0.77 0.00 0.00 57.85 56.88 1g1r n ARG 85 Cb 0.35 -1.71 0.03 0.00 -1.02 0.00 0.00 32.46 30.11 1g1r n ARG 85 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1g1r s ASN 86 N -1.39 5.36 0.00 0.55 2.47 -1.26 -2.86 114.94 117.81 1g1r s ASN 86 Ca 0.64 1.96 0.00 0.00 0.42 0.00 0.00 52.86 55.88 1g1r s ASN 86 Cb -0.36 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 36.89 1g1r s ASN 86 CO 0.59 -1.46 0.00 -3.20 -3.72 0.00 0.00 177.10 169.32 1g1r n ASN 87 N -2.20 0.00 -0.55 -4.21 5.15 -1.26 -4.71 115.26 107.47 1g1r n ASN 87 Ca 0.10 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.13 1g1r n ASN 87 Cb 0.52 -1.38 0.12 0.00 -0.53 0.00 0.00 39.78 38.51 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 -2.00 2.23 -0.87 1.20 1.02 -1.13 -1.17 120.64 119.91 1g1r n GLU 88 Ca 0.00 -1.78 -0.15 0.00 -0.02 0.00 0.00 57.16 55.21 1g1r n GLU 88 Cb 0.00 -1.24 0.15 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.49 3.65 -4.77 1.62 5.75 -1.22 -3.41 116.55 118.66 1g1r n ASP 89 Ca 0.10 -3.12 -0.38 0.00 -0.01 0.00 0.00 54.79 51.38 1g1r n ASP 89 Cb 0.37 -0.74 -0.06 0.00 -1.03 0.00 0.00 41.12 39.67 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 -0.19 5.36 0.06 0.00 1.01 -1.26 0.31 120.40 125.69 1g1r s VAL 91 Ca 0.25 0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.61 1g1r s VAL 91 Cb -0.16 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1g1r s VAL 91 CO 0.12 0.41 0.02 -1.83 0.00 0.00 0.00 175.10 173.82 1g1r s GLU 92 N 0.46 2.73 -0.18 2.72 -1.05 0.18 -1.77 118.70 121.78 1g1r s GLU 92 Ca 0.12 -0.72 -0.03 0.00 -0.15 0.00 0.00 54.97 54.20 1g1r s GLU 92 Cb -0.12 -2.64 -0.01 0.00 -0.44 0.00 0.00 34.13 30.92 1g1r s GLU 92 CO 0.01 0.58 -0.07 -1.50 0.95 0.00 0.00 175.26 175.22 1g1r s ILE 93 N -1.26 3.30 -0.19 1.83 2.07 0.20 -0.78 121.20 126.38 1g1r s ILE 93 Ca 0.25 -0.54 -0.02 0.00 -1.41 0.00 0.00 60.65 58.92 1g1r s ILE 93 Cb -0.12 -2.46 -0.07 0.00 0.13 0.00 0.00 42.46 39.94 1g1r s ILE 93 CO 0.17 0.47 1.58 -1.22 -1.91 0.00 0.00 174.94 174.02 1g1r n TYR 94 N 4.26 0.28 -1.67 3.50 4.01 -0.28 -2.86 117.16 124.40 1g1r n TYR 94 Ca -0.18 -0.80 -0.52 0.00 -0.16 0.00 0.00 57.90 56.24 1g1r n TYR 94 Cb 0.52 -0.95 -0.06 0.00 -0.31 0.00 0.00 39.34 38.54 1g1r n TYR 94 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1g1r n ILE 95 N 3.43 0.25 -3.81 -0.72 2.08 -1.26 -1.35 119.36 117.98 1g1r n ILE 95 Ca 0.18 -0.05 -0.25 0.00 0.56 0.00 0.00 62.75 63.20 1g1r n ILE 95 Cb 0.22 -1.33 0.02 0.00 -0.75 0.00 0.00 39.64 37.80 1g1r n ILE 95 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1g1r n LYS 96 N 4.70 -4.70 -3.20 0.38 5.02 -1.26 -4.62 118.16 114.49 1g1r n LYS 96 Ca 0.22 0.57 -0.37 0.00 -2.02 0.00 0.00 58.31 56.71 1g1r n LYS 96 Cb 0.21 -5.12 -0.06 0.00 -0.02 0.00 0.00 35.03 30.03 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 -4.10 7.04 0.49 4.39 0.15 -0.46 -4.97 113.70 116.25 1g1r s SER 97 Ca 0.17 1.31 0.26 0.00 0.70 0.00 0.00 55.95 58.40 1g1r s SER 97 Cb -0.09 -2.38 1.26 0.00 -1.71 0.00 0.00 66.02 63.10 1g1r s SER 97 CO 0.83 0.14 1.98 1.55 1.20 0.00 0.00 173.24 178.94 1g1r h PRO 98 N 3.88 0.00 0.00 5.44 0.13 -1.93 -3.10 132.00 136.41 1g1r h PRO 98 Ca -0.48 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 1g1r h PRO 98 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1g1r h PRO 98 CO 0.65 0.16 -1.62 -1.13 -0.23 0.00 0.00 178.00 175.83 1g1r n SER 99 N -3.53 1.71 -3.03 1.44 3.41 -1.26 -4.82 113.62 107.54 1g1r n SER 99 Ca -0.01 0.06 -0.26 0.00 -0.26 0.00 0.00 58.87 58.41 1g1r n SER 99 Cb 0.31 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 1g1r n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g1r n ALA 100 N -3.24 4.18 -1.64 7.33 0.00 -1.26 -5.07 120.51 120.81 1g1r n ALA 100 Ca -0.21 -4.49 -0.50 0.00 0.00 0.00 0.00 53.44 48.24 1g1r n ALA 100 Cb 0.67 -0.78 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 1g1r n ALA 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1g1r n PRO 101 N -0.02 1.62 -0.00 0.00 -0.04 -1.17 -1.91 135.00 133.47 1g1r n PRO 101 Ca 0.30 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 1g1r n PRO 101 Cb 0.44 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1g1r n PRO 101 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1g1r n GLY 102 N 3.29 2.36 3.81 0.55 0.00 -0.78 -4.92 105.19 109.50 1g1r n GLY 102 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.00 2.83 0.12 1.61 3.01 -0.80 -4.62 119.74 121.89 1g1r s LYS 103 Ca 0.00 1.01 0.03 0.00 -1.01 0.00 0.00 55.97 55.99 1g1r s LYS 103 Cb 0.00 -1.97 -0.04 0.00 -1.01 0.00 0.00 37.83 34.81 1g1r s LYS 103 CO 0.00 -1.19 0.21 -1.58 0.51 0.00 0.00 175.35 173.30 1g1r s TRP 104 N -2.99 3.37 -0.03 3.18 0.51 -0.60 -1.12 118.94 121.26 1g1r s TRP 104 Ca 0.59 0.11 -0.00 0.00 -2.12 0.00 0.00 56.10 54.67 1g1r s TRP 104 Cb -0.15 -1.64 0.03 0.00 -0.81 0.00 0.00 33.47 30.90 1g1r s TRP 104 CO 0.54 0.53 0.03 1.21 -0.51 0.00 0.00 176.95 178.76 1g1r s ASN 105 N -2.94 0.40 -0.02 2.95 2.47 0.04 -0.49 114.94 117.35 1g1r s ASN 105 Ca 0.33 0.04 -0.30 0.00 0.42 0.00 0.00 52.86 53.35 1g1r s ASN 105 Cb -0.11 -0.11 -0.03 0.00 -1.45 0.00 0.00 41.25 39.54 1g1r s ASN 105 CO 0.26 -0.16 1.10 1.51 -3.72 0.00 0.00 177.10 176.09 1g1r s ASP 106 N 1.36 7.19 0.26 -4.21 -4.77 -1.26 0.50 116.67 115.74 1g1r s ASP 106 Ca -0.05 1.76 0.02 0.00 -3.30 0.00 0.00 52.55 50.98 1g1r s ASP 106 Cb -0.13 -2.57 -0.04 0.00 -1.09 0.00 0.00 42.92 39.10 1g1r s ASP 106 CO -0.03 -0.44 0.15 -0.70 0.70 0.00 0.00 175.17 174.85 1g1r s GLU 107 N 1.55 1.43 -0.69 2.11 2.56 0.93 -4.76 118.70 121.83 1g1r s GLU 107 Ca 0.54 -1.79 -0.25 0.00 0.00 0.00 0.00 54.97 53.46 1g1r s GLU 107 Cb -0.23 0.04 0.04 0.00 2.00 0.00 0.00 34.13 35.98 1g1r s GLU 107 CO 0.25 -0.42 1.15 -1.58 -0.56 0.00 0.00 175.26 174.10 1g1r s HIS 108 N -3.82 2.46 0.10 5.30 5.65 -1.25 -1.07 115.29 122.66 1g1r s HIS 108 Ca 0.38 -0.19 0.00 0.00 0.25 0.00 0.00 55.06 55.50 1g1r s HIS 108 Cb 0.06 -4.48 0.00 0.00 -1.18 0.00 0.00 32.58 26.98 1g1r s HIS 108 CO 0.16 -1.86 0.42 0.00 -0.65 0.00 0.00 174.74 172.80 1g1r n LEU 110 N -0.94 1.28 -4.77 0.00 4.77 -1.26 -1.35 117.00 114.72 1g1r n LEU 110 Ca 0.00 -0.52 -0.38 0.00 -0.03 0.00 0.00 56.01 55.08 1g1r n LEU 110 Cb 0.42 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1g1r n LEU 110 CO 0.00 0.27 0.79 -0.54 -1.33 0.00 0.00 177.39 176.58 1g1r s LYS 111 N -2.81 4.25 0.35 3.23 1.02 0.83 -4.73 119.74 121.89 1g1r s LYS 111 Ca 0.13 1.70 -0.25 0.00 0.02 0.00 0.00 55.97 57.57 1g1r s LYS 111 Cb 0.17 -2.76 -0.10 0.00 -0.52 0.00 0.00 37.83 34.62 1g1r s LYS 111 CO 0.74 -0.11 0.98 0.15 -0.92 0.00 0.00 175.35 176.19 1g1r s LYS 112 N -2.15 4.44 0.20 1.68 1.02 -1.26 -4.24 119.74 119.42 1g1r s LYS 112 Ca 0.54 1.39 -0.23 0.00 0.02 0.00 0.00 55.97 57.70 1g1r s LYS 112 Cb -0.28 -2.70 0.05 0.00 -0.52 0.00 0.00 37.83 34.38 1g1r s LYS 112 CO 0.35 0.13 0.72 0.15 -0.92 0.00 0.00 175.35 175.78 1g1r s LYS 113 N -2.23 1.45 -0.56 1.68 1.02 -0.52 -4.78 119.74 115.79 1g1r s LYS 113 Ca 0.53 -0.70 -0.28 0.00 0.02 0.00 0.00 55.97 55.54 1g1r s LYS 113 Cb -0.20 0.56 0.03 0.00 -0.52 0.00 0.00 37.83 37.70 1g1r s LYS 113 CO 0.25 -0.65 1.14 -1.01 -0.92 0.00 0.00 175.35 174.16 1g1r s HIS 114 N -3.71 2.66 -0.18 3.18 3.76 -1.01 0.62 115.29 120.61 1g1r s HIS 114 Ca 0.07 0.37 -0.33 0.00 -0.15 0.00 0.00 55.06 55.02 1g1r s HIS 114 Cb -0.03 -4.42 -0.10 0.00 1.11 0.00 0.00 32.58 29.14 1g1r s HIS 114 CO -0.02 -1.51 2.05 0.00 -0.85 0.00 0.00 174.74 174.41 1g1r n ALA 115 N 8.19 1.18 -3.00 -1.40 0.00 -1.26 -2.83 120.51 121.39 1g1r n ALA 115 Ca 0.08 0.07 -0.44 0.00 0.00 0.00 0.00 53.44 53.14 1g1r n ALA 115 Cb 0.49 -2.62 -0.08 0.00 0.00 0.00 0.00 19.45 17.24 1g1r n ALA 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1g1r s LEU 116 N 5.94 5.65 0.57 0.00 2.96 -1.20 -1.31 118.68 131.29 1g1r s LEU 116 Ca 0.99 -1.43 0.09 0.00 -0.22 0.00 0.00 54.13 53.56 1g1r s LEU 116 Cb -0.64 -2.16 0.08 0.00 0.50 0.00 0.00 46.19 43.98 1g1r s LEU 116 CO 0.47 -0.66 0.78 0.00 -1.32 0.00 0.00 176.35 175.61 1g1r s TYR 118 N -2.66 -0.78 -0.12 0.00 1.13 -1.02 -0.09 117.35 113.80 1g1r s TYR 118 Ca 0.61 1.66 -0.07 0.00 -1.41 0.00 0.00 57.07 57.87 1g1r s TYR 118 Cb -0.06 0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 41.15 1g1r s TYR 118 CO 0.39 -0.40 0.14 0.99 -2.51 0.00 0.00 175.55 174.16 1g1r s THR 119 N 1.22 5.50 0.37 -3.49 2.01 -0.04 -3.04 115.64 118.17 1g1r s THR 119 Ca -0.07 0.21 -0.25 0.00 0.31 0.00 0.00 61.69 61.89 1g1r s THR 119 Cb -0.06 -3.40 -0.09 0.00 0.01 0.00 0.00 72.50 68.95 1g1r s THR 119 CO -0.12 0.61 1.03 0.00 -0.69 0.00 0.00 174.62 175.45 1g1r s ALA 120 N -0.98 3.15 -0.15 7.40 0.00 -1.26 -1.19 121.76 128.74 1g1r s ALA 120 Ca 0.15 0.68 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 1g1r s ALA 120 Cb -0.12 -3.25 -0.24 0.00 0.00 0.00 0.00 23.12 19.50 1g1r s ALA 120 CO 0.04 -0.11 0.27 0.43 0.00 0.00 0.00 175.76 176.39 1g1r n SER 121 N 0.22 2.08 -4.61 0.00 7.64 -1.26 -4.82 113.62 112.87 1g1r n SER 121 Ca 0.04 0.19 -0.43 0.00 1.01 0.00 0.00 58.87 59.68 1g1r n SER 121 Cb 0.49 -0.82 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 1g1r n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g1r s GLN 123 N 6.00 3.18 0.05 0.00 -1.52 -1.26 -5.02 119.66 121.09 1g1r s GLN 123 Ca 0.99 -0.90 -0.09 0.00 -1.95 0.00 0.00 55.36 53.40 1g1r s GLN 123 Cb -0.35 -2.81 -0.02 0.00 -0.22 0.00 0.00 33.01 29.61 1g1r s GLN 123 CO 0.36 0.11 1.09 -3.47 -0.25 0.00 0.00 175.29 173.13 1g1r n ASP 124 N -1.64 -0.31 -0.86 5.90 2.03 -1.26 -1.59 116.55 118.82 1g1r n ASP 124 Ca -0.02 1.16 0.02 0.00 0.52 0.00 0.00 54.79 56.47 1g1r n ASP 124 Cb 0.58 -0.39 0.11 0.00 -0.72 0.00 0.00 41.12 40.70 1g1r n ASP 124 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1g1r n MET 125 N -3.64 2.02 -2.13 -0.67 2.81 -1.26 -4.80 117.12 109.45 1g1r n MET 125 Ca 0.01 -0.82 -0.35 0.00 -1.81 0.00 0.00 57.70 54.72 1g1r n MET 125 Cb 0.08 -1.70 0.02 0.00 -0.71 0.00 0.00 33.22 30.90 1g1r n MET 125 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1g1r s SER 126 N -0.20 5.45 -1.40 7.83 0.01 -0.62 -2.94 113.70 121.84 1g1r s SER 126 Ca 0.14 2.28 -0.08 0.00 1.31 0.00 0.00 55.95 59.59 1g1r s SER 126 Cb 0.11 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.76 1g1r s SER 126 CO 0.04 -1.41 1.10 0.00 0.41 0.00 0.00 173.24 173.38 1g1r n SER 128 N -2.94 -1.30 0.00 0.00 7.64 -0.52 -0.07 113.62 116.43 1g1r n SER 128 Ca -0.01 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1g1r n SER 128 Cb 0.57 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1g1r n SER 128 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1g1r n LYS 129 N -2.12 0.00 -1.29 1.43 3.00 -1.02 -4.69 118.16 113.47 1g1r n LYS 129 Ca -0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.00 1g1r n LYS 129 Cb 0.38 -4.09 0.13 0.00 0.00 0.00 0.00 35.03 31.45 1g1r n LYS 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1g1r n GLN 130 N -1.84 2.50 -3.74 1.64 6.02 0.91 -4.95 117.38 117.91 1g1r n GLN 130 Ca 0.00 -3.21 -0.02 0.00 -0.01 0.00 0.00 57.00 53.76 1g1r n GLN 130 Cb 0.00 -2.22 -0.01 0.00 1.02 0.00 0.00 30.24 29.03 1g1r n GLN 130 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1g1r s GLY 131 N -1.73 -0.24 -0.66 1.08 0.00 -1.01 -1.37 107.32 103.38 1g1r s GLY 131 Ca 0.60 0.19 -0.15 0.00 0.00 0.00 0.00 44.72 45.37 1g1r s GLY 131 CO 0.04 0.17 0.60 1.85 0.00 0.00 0.00 173.10 175.77 1g1r s GLU 132 N -3.06 3.21 -0.17 2.90 2.12 0.47 -4.88 118.70 119.29 1g1r s GLU 132 Ca 0.13 -2.05 -0.33 0.00 0.36 0.00 0.00 54.97 53.09 1g1r s GLU 132 Cb -0.00 -4.32 -0.10 0.00 0.26 0.00 0.00 34.13 29.97 1g1r s GLU 132 CO 0.01 -1.30 2.03 0.00 -0.54 0.00 0.00 175.26 175.46 1g1r s LEU 134 N 5.76 3.51 0.35 0.00 0.20 -0.98 -4.97 118.68 122.54 1g1r s LEU 134 Ca 0.98 -0.73 -0.29 0.00 0.69 0.00 0.00 54.13 54.78 1g1r s LEU 134 Cb -0.63 -1.79 -0.11 0.00 -0.43 0.00 0.00 46.19 43.24 1g1r s LEU 134 CO 0.47 -0.15 1.39 -1.61 -0.29 0.00 0.00 176.35 176.17 1g1r s GLU 135 N 1.43 4.24 0.44 1.98 0.41 -1.26 -0.09 118.70 125.86 1g1r s GLU 135 Ca 0.02 2.38 0.03 0.00 -0.41 0.00 0.00 54.97 56.99 1g1r s GLU 135 Cb -0.17 -3.03 -0.02 0.00 -1.78 0.00 0.00 34.13 29.13 1g1r s GLU 135 CO -0.01 -0.35 0.08 0.95 -0.49 0.00 0.00 175.26 175.44 1g1r s THR 136 N -1.05 0.88 -0.95 3.63 -4.23 -0.76 -4.80 115.64 108.36 1g1r s THR 136 Ca 0.51 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.77 1g1r s THR 136 Cb -0.43 -2.32 -0.18 0.00 1.34 0.00 0.00 72.50 70.90 1g1r s THR 136 CO 0.57 0.00 1.95 -0.38 -0.54 0.00 0.00 174.62 176.22 1g1r n ILE 137 N -1.03 1.05 0.00 2.99 5.41 -1.26 0.75 119.36 127.27 1g1r n ILE 137 Ca -0.11 -1.05 0.00 0.00 1.00 0.00 0.00 62.75 62.59 1g1r n ILE 137 Cb 0.66 -2.12 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 1g1r n ILE 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1g1r n GLY 138 N 5.63 1.14 0.00 7.39 0.00 -0.53 -4.85 105.19 113.96 1g1r n GLY 138 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 2.98 -3.60 1.61 2.85 -1.18 -4.73 115.26 113.18 1g1r n ASN 139 Ca 0.00 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.41 1g1r n ASN 139 Cb 0.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 1g1r n ASN 139 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1g1r s TYR 140 N 0.16 -0.21 0.08 1.20 1.13 -1.26 -1.83 117.35 116.61 1g1r s TYR 140 Ca 0.00 0.34 0.00 0.00 -1.41 0.00 0.00 57.07 56.00 1g1r s TYR 140 Cb 0.00 0.48 0.00 0.00 -1.10 0.00 0.00 41.96 41.34 1g1r s TYR 140 CO 0.00 -0.21 0.03 0.25 -2.51 0.00 0.00 175.55 173.11 1g1r n THR 141 N 0.54 0.00 -3.68 -3.49 -2.24 0.87 -4.87 114.28 101.42 1g1r n THR 141 Ca -0.05 -0.36 -0.30 0.00 -2.27 0.00 0.00 64.05 61.08 1g1r n THR 141 Cb 0.58 -0.14 -0.14 0.00 -2.10 0.00 0.00 70.33 68.53 1g1r n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g1r s SER 143 N 1.45 5.55 0.42 0.00 0.01 -1.13 -4.84 113.70 115.16 1g1r s SER 143 Ca 0.12 -0.64 -0.26 0.00 1.31 0.00 0.00 55.95 56.48 1g1r s SER 143 Cb -0.19 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.39 1g1r s SER 143 CO -0.21 -2.32 1.38 0.00 0.41 0.00 0.00 173.24 172.50 1g1r s TYR 145 N -1.18 3.08 0.38 0.00 2.02 -0.47 -4.84 117.35 116.34 1g1r s TYR 145 Ca 0.60 1.59 -0.25 0.00 -0.37 0.00 0.00 57.07 58.63 1g1r s TYR 145 Cb -0.48 -3.02 -0.12 0.00 -0.40 0.00 0.00 41.96 37.94 1g1r s TYR 145 CO 0.59 -0.66 0.90 -2.30 -1.57 0.00 0.00 175.55 172.51 1g1r n PRO 146 N -0.86 1.15 -0.77 -1.71 -0.02 -1.26 -1.88 135.00 129.65 1g1r n PRO 146 Ca 0.09 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1g1r n PRO 146 Cb 0.53 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 1.34 0.75 3.03 -1.23 0.00 -1.26 -5.02 105.19 102.79 1g1r n GLY 147 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.75 0.55 0.01 1.61 0.40 -0.79 -0.21 117.98 116.81 1g1r s PHE 148 Ca 0.00 -0.42 -0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1g1r s PHE 148 Cb 0.00 -0.34 0.00 0.00 0.51 0.00 0.00 43.02 43.19 1g1r s PHE 148 CO 0.00 -0.09 0.01 2.48 0.70 0.00 0.00 175.22 178.32 1g1r n TYR 149 N 1.77 -0.45 0.00 0.36 4.11 1.00 -4.61 117.16 119.34 1g1r n TYR 149 Ca -0.21 -0.05 0.00 0.00 -0.00 0.00 0.00 57.90 57.64 1g1r n TYR 149 Cb 0.55 0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.91 1g1r n TYR 149 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1g1r n GLY 150 N -0.01 0.77 0.36 -7.48 0.00 -1.26 -1.46 105.19 96.11 1g1r n GLY 150 Ca 0.00 -1.75 0.15 0.00 0.00 0.00 0.00 46.02 44.42 1g1r n GLY 150 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g1r h PRO 151 N 0.00 0.24 -0.27 1.61 0.13 -2.01 0.10 132.00 131.81 1g1r h PRO 151 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1g1r h PRO 151 Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 1g1r h PRO 151 CO 0.00 0.16 0.00 0.39 -0.23 0.00 0.00 178.00 178.32 1g1r n GLU 152 N -4.45 2.89 -3.64 0.86 -0.58 -1.26 -4.41 120.64 110.05 1g1r n GLU 152 Ca 0.09 -1.93 -0.20 0.00 -0.42 0.00 0.00 57.16 54.70 1g1r n GLU 152 Cb 0.44 -1.21 0.05 0.00 -0.57 0.00 0.00 31.44 30.15 1g1r n GLU 152 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g1r n GLU 154 N -4.25 1.45 -4.34 0.00 0.00 -0.64 -4.49 120.64 108.38 1g1r n GLU 154 Ca -0.29 -1.00 -0.34 0.00 0.00 0.00 0.00 57.16 55.52 1g1r n GLU 154 Cb 0.67 -1.48 -0.11 0.00 0.00 0.00 0.00 31.44 30.53 1g1r n GLU 154 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1g1r s TYR 155 N -2.24 3.09 -0.26 -1.84 2.02 -0.53 -4.99 117.35 112.59 1g1r s TYR 155 Ca 0.28 -0.10 -0.05 0.00 -0.37 0.00 0.00 57.07 56.84 1g1r s TYR 155 Cb 0.20 -1.93 0.01 0.00 -0.40 0.00 0.00 41.96 39.84 1g1r s TYR 155 CO 0.43 0.14 0.01 0.08 -1.57 0.00 0.00 175.55 174.64 1g1r s VAL 156 N 0.01 3.56 1.11 0.71 1.01 -1.26 -0.00 120.40 125.54 1g1r s VAL 156 Ca 0.02 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1g1r s VAL 156 Cb -0.13 -2.77 0.23 0.00 0.00 0.00 0.00 36.38 33.71 1g1r s VAL 156 CO 0.02 0.20 0.92 0.54 0.00 0.00 0.00 175.10 176.79 1g1r n ARG 157 N 4.80 -1.88 -0.01 2.72 5.12 0.71 -4.98 116.66 123.14 1g1r n ARG 157 Ca -0.16 -0.51 -0.02 0.00 -1.93 0.00 0.00 57.85 55.23 1g1r n ARG 157 Cb 0.49 -2.16 -0.01 0.00 -1.16 0.00 0.00 32.46 29.62 1g1r n ARG 157 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1g1r n ASP 158 N -4.36 0.94 -4.12 0.55 8.00 -1.26 -4.89 116.55 111.40 1g1r n ASP 158 Ca 0.05 0.14 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 1g1r n ASP 158 Cb 0.54 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 41.24 1g1r n ASP 158 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1g1r n ASP 159 N -3.40 5.73 -0.94 -2.24 9.92 -1.26 -5.18 116.55 119.18 1g1r n ASP 159 Ca -0.04 -3.24 0.12 0.00 -0.53 0.00 0.00 54.79 51.10 1g1r n ASP 159 Cb 0.14 -1.26 0.10 0.00 -0.64 0.00 0.00 41.12 39.45 1g1r n ASP 159 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80