#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpm h SER 38 N 0.00 -1.40 -3.45 1.61 0.87 -2.12 -3.42 113.55 105.63 2cpm h SER 38 Ca 0.00 0.22 -0.45 0.00 -1.23 0.00 0.00 61.79 60.34 2cpm h SER 38 Cb 0.00 0.63 -0.16 0.00 -0.44 0.00 0.00 62.40 62.43 2cpm h SER 38 CO 0.00 -0.35 -0.75 -0.94 -0.53 0.00 0.00 176.83 174.26 2cpm s SER 39 N -5.10 2.45 -0.22 6.23 1.04 -1.26 -5.13 113.70 111.72 2cpm s SER 39 Ca -0.14 -0.96 -0.17 0.00 0.48 0.00 0.00 55.95 55.16 2cpm s SER 39 Cb 0.13 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 2cpm s SER 39 CO 0.66 -0.15 0.46 -0.83 0.98 0.00 0.00 173.24 174.36 2cpm s GLY 40 N -3.05 2.00 0.24 7.32 0.00 -1.26 -5.07 107.32 107.49 2cpm s GLY 40 Ca 0.19 -0.54 0.07 0.00 0.00 0.00 0.00 44.72 44.43 2cpm s GLY 40 CO 0.06 1.01 0.16 -0.45 0.00 0.00 0.00 173.10 173.88 2cpm s SER 41 N 1.27 5.40 0.24 1.64 0.15 -1.26 -5.09 113.70 116.04 2cpm s SER 41 Ca 0.20 -0.28 -0.30 0.00 0.70 0.00 0.00 55.95 56.28 2cpm s SER 41 Cb -0.15 -1.34 -0.09 0.00 -1.71 0.00 0.00 66.02 62.73 2cpm s SER 41 CO 0.09 -0.02 1.18 -0.94 1.20 0.00 0.00 173.24 174.75 2cpm s SER 42 N -3.70 7.11 -0.35 5.45 1.04 -1.26 -4.26 113.70 117.72 2cpm s SER 42 Ca 0.32 2.31 -0.12 0.00 0.48 0.00 0.00 55.95 58.94 2cpm s SER 42 Cb -0.08 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.44 2cpm s SER 42 CO 0.24 -0.32 0.47 0.61 0.98 0.00 0.00 173.24 175.23 2cpm n GLY 43 N 1.67 -1.18 3.86 7.32 0.00 -1.26 -5.01 105.19 110.58 2cpm n GLY 43 Ca 0.02 0.95 -0.30 0.00 0.00 0.00 0.00 46.02 46.69 2cpm n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cpm s GLN 44 N -2.29 2.51 -0.12 1.61 -0.21 -1.26 -5.01 119.66 114.89 2cpm s GLN 44 Ca 0.19 0.49 -0.08 0.00 0.02 0.00 0.00 55.36 55.98 2cpm s GLN 44 Cb -0.05 -1.98 -0.26 0.00 1.00 0.00 0.00 33.01 31.71 2cpm s GLN 44 CO 0.60 -1.29 0.40 0.87 -2.12 0.00 0.00 175.29 173.75 2cpm h LYS 45 N -0.84 0.27 -0.49 2.91 6.56 -1.96 -3.39 116.57 119.63 2cpm h LYS 45 Ca -0.46 -0.46 0.04 0.00 -1.06 0.00 0.00 60.65 58.72 2cpm h LYS 45 Cb 1.26 0.17 -0.06 0.00 -0.57 0.00 0.00 32.23 33.04 2cpm h LYS 45 CO 0.62 1.22 -0.29 0.28 -2.06 0.00 0.00 179.45 179.23 2cpm n VAL 46 N -3.55 -0.33 -0.14 0.50 0.31 -1.26 0.09 118.33 113.95 2cpm n VAL 46 Ca -0.31 1.50 -0.09 0.00 -0.01 0.00 0.00 64.34 65.43 2cpm n VAL 46 Cb 1.03 -1.89 -0.03 0.00 -0.91 0.00 0.00 33.84 32.04 2cpm n VAL 46 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2cpm h GLU 47 N 0.00 -0.28 -0.31 5.55 5.08 -2.01 -2.05 114.58 120.57 2cpm h GLU 47 Ca 0.08 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2cpm h GLU 47 Cb 0.20 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 2cpm h GLU 47 CO -0.46 -0.19 -0.43 0.35 -1.00 0.00 0.00 179.01 177.29 2cpm h PHE 48 N -0.29 -1.30 -0.90 4.33 3.57 -0.54 -0.31 116.94 121.50 2cpm h PHE 48 Ca 0.16 0.06 0.23 0.00 3.53 0.00 0.00 57.97 61.95 2cpm h PHE 48 Cb 0.57 0.61 -0.16 0.00 2.79 0.00 0.00 35.95 39.76 2cpm h PHE 48 CO -0.62 -0.38 0.03 -0.09 -2.23 0.00 0.00 178.31 175.03 2cpm h ARG 49 N -0.31 0.06 0.12 1.11 2.43 -0.66 -0.06 114.38 117.07 2cpm h ARG 49 Ca 0.05 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2cpm h ARG 49 Cb 0.46 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 2cpm h ARG 49 CO -0.45 0.04 -0.47 0.87 -1.51 0.00 0.00 179.97 178.45 2cpm h LYS 50 N 0.07 -0.68 -0.56 0.20 1.79 -0.40 -1.62 116.57 115.37 2cpm h LYS 50 Ca 0.52 0.05 0.11 0.00 -2.18 0.00 0.00 60.65 59.15 2cpm h LYS 50 Cb 1.02 0.15 -0.11 0.00 -1.58 0.00 0.00 32.23 31.71 2cpm h LYS 50 CO -0.81 -0.45 -0.24 -0.09 -1.08 0.00 0.00 179.45 176.78 2cpm h ARG 51 N -0.70 -0.09 -0.62 3.15 2.43 -0.48 0.20 114.38 118.27 2cpm h ARG 51 Ca 0.01 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.31 2cpm h ARG 51 Cb 0.72 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.20 2cpm h ARG 51 CO -0.27 -0.06 0.11 0.52 -1.51 0.00 0.00 179.97 178.76 2cpm h MET 52 N -0.10 0.23 -0.52 0.20 2.86 -0.91 0.20 114.93 116.90 2cpm h MET 52 Ca 0.26 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.97 2cpm h MET 52 Cb 0.50 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.04 2cpm h MET 52 CO -0.63 0.15 0.13 0.93 1.06 0.00 0.00 176.91 178.56 2cpm h GLU 53 N 0.24 0.27 -0.08 1.72 5.08 -0.02 0.37 114.58 122.17 2cpm h GLU 53 Ca 0.33 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 2cpm h GLU 53 Cb 0.50 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2cpm h GLU 53 CO -0.43 0.18 -0.02 -0.22 -1.00 0.00 0.00 179.01 177.52 2cpm h LYS 54 N 0.28 0.15 0.63 2.33 1.63 -0.63 -2.27 116.57 118.69 2cpm h LYS 54 Ca 0.26 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.97 2cpm h LYS 54 Cb 0.34 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2cpm h LYS 54 CO -0.31 0.49 -0.38 0.93 -3.45 0.00 0.00 179.45 176.73 2cpm h GLU 55 N -0.19 -0.90 -0.43 1.90 4.39 -0.20 -2.04 114.58 117.10 2cpm h GLU 55 Ca 0.02 0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.85 2cpm h GLU 55 Cb 0.44 0.21 -0.09 0.00 -0.10 0.00 0.00 28.75 29.21 2cpm h GLU 55 CO 0.01 -0.60 -0.46 0.28 -1.16 0.00 0.00 179.01 177.08 2cpm h VAL 56 N -0.94 0.09 -0.51 3.13 2.07 -0.37 -1.63 116.25 118.10 2cpm h VAL 56 Ca -0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.50 2cpm h VAL 56 Cb 0.75 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.51 2cpm h VAL 56 CO 0.09 0.00 -0.52 -1.28 0.02 0.00 0.00 177.57 175.88 2cpm h SER 57 N -0.33 -1.77 -0.82 0.57 0.87 -1.37 0.15 113.55 110.85 2cpm h SER 57 Ca 0.13 0.25 0.20 0.00 -1.23 0.00 0.00 61.79 61.14 2cpm h SER 57 Cb 0.58 0.75 -0.12 0.00 -0.44 0.00 0.00 62.40 63.18 2cpm h SER 57 CO -0.60 -0.37 0.25 -0.78 -0.53 0.00 0.00 176.83 174.80 2cpm h ASP 58 N -0.31 0.09 -0.71 6.23 3.58 -0.61 0.18 116.42 124.86 2cpm h ASP 58 Ca 0.11 0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.68 2cpm h ASP 58 Cb 0.57 0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.79 2cpm h ASP 58 CO -0.65 -0.06 0.26 0.15 -2.88 0.00 0.00 179.24 176.06 2cpm h PHE 59 N 0.29 1.11 0.03 0.28 3.04 0.09 -2.36 116.94 119.42 2cpm h PHE 59 Ca 0.49 -0.10 0.03 0.00 3.98 0.00 0.00 57.97 62.37 2cpm h PHE 59 Cb 0.91 -0.33 -0.04 0.00 2.56 0.00 0.00 35.95 39.05 2cpm h PHE 59 CO -0.23 0.87 -0.28 0.82 -2.02 0.00 0.00 178.31 177.46 2cpm h ILE 60 N 1.03 0.37 -0.59 1.41 2.04 0.18 -2.42 117.51 119.53 2cpm h ILE 60 Ca 0.23 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.13 2cpm h ILE 60 Cb 0.25 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2cpm h ILE 60 CO -0.01 0.00 0.35 1.56 0.00 0.00 0.00 178.15 180.04 2cpm h GLN 61 N -0.45 0.65 -5.77 2.37 4.20 -1.34 -3.39 115.11 111.38 2cpm h GLN 61 Ca 0.05 -0.04 -0.53 0.00 0.06 0.00 0.00 58.65 58.20 2cpm h GLN 61 Cb 0.52 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2cpm h GLN 61 CO -0.22 0.43 1.57 -0.25 -0.67 0.00 0.00 178.83 179.70 2cpm n ASP 62 N -4.77 2.68 -0.03 1.46 8.00 -0.90 -4.82 116.55 118.17 2cpm n ASP 62 Ca 0.06 -0.16 -0.16 0.00 0.71 0.00 0.00 54.79 55.24 2cpm n ASP 62 Cb 0.10 -1.55 -0.09 0.00 -0.02 0.00 0.00 41.12 39.56 2cpm n ASP 62 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2cpm h SER 63 N 17.30 0.50 -1.02 -2.24 0.87 -1.81 -3.24 113.55 123.90 2cpm h SER 63 Ca -0.31 -0.66 0.34 0.00 -1.23 0.00 0.00 61.79 59.93 2cpm h SER 63 Cb 1.26 -0.15 -0.15 0.00 -0.44 0.00 0.00 62.40 62.92 2cpm h SER 63 CO 1.07 1.07 0.59 1.23 -0.53 0.00 0.00 176.83 180.27 2cpm h GLY 64 N -0.05 2.02 -5.00 5.77 0.00 -1.95 -3.37 103.07 100.49 2cpm h GLY 64 Ca -0.03 -0.22 -0.56 0.00 0.00 0.00 0.00 47.33 46.52 2cpm h GLY 64 CO 0.09 -0.51 0.04 1.20 0.00 0.00 0.00 176.54 177.36 2cpm s GLN 65 N -5.62 4.40 -0.05 4.80 -0.21 -1.22 -4.94 119.66 116.82 2cpm s GLN 65 Ca -0.10 0.81 0.08 0.00 0.02 0.00 0.00 55.36 56.18 2cpm s GLN 65 Cb 0.30 -3.41 -0.12 0.00 1.00 0.00 0.00 33.01 30.78 2cpm s GLN 65 CO 0.79 0.18 0.12 0.44 -2.12 0.00 0.00 175.29 174.69 2cpm n ILE 66 N 3.39 0.28 -3.94 1.08 -5.35 -1.26 -4.93 119.36 108.63 2cpm n ILE 66 Ca -0.03 -0.28 -0.09 0.00 -0.27 0.00 0.00 62.75 62.08 2cpm n ILE 66 Cb 0.51 -0.22 -0.09 0.00 -1.74 0.00 0.00 39.64 38.10 2cpm n ILE 66 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2cpm s LYS 67 N -2.42 0.61 -0.10 6.28 -2.85 -1.26 -2.62 119.74 117.37 2cpm s LYS 67 Ca -0.04 -0.81 -0.07 0.00 -1.00 0.00 0.00 55.97 54.05 2cpm s LYS 67 Cb 0.04 0.24 0.03 0.00 -2.06 0.00 0.00 37.83 36.08 2cpm s LYS 67 CO 0.36 -0.15 0.26 0.21 0.10 0.00 0.00 175.35 176.12 2cpm s LYS 68 N -2.80 0.26 -0.16 1.78 2.20 -0.90 -5.03 119.74 115.10 2cpm s LYS 68 Ca -0.03 0.44 -0.05 0.00 -0.36 0.00 0.00 55.97 55.97 2cpm s LYS 68 Cb -0.00 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.32 2cpm s LYS 68 CO -0.05 -0.09 0.00 0.21 -0.36 0.00 0.00 175.35 175.06 2cpm s LYS 69 N 0.62 3.71 0.39 4.03 2.20 -1.26 -1.88 119.74 127.55 2cpm s LYS 69 Ca -0.04 -0.44 0.08 0.00 -0.36 0.00 0.00 55.97 55.21 2cpm s LYS 69 Cb -0.05 -3.01 -0.01 0.00 -1.51 0.00 0.00 37.83 33.24 2cpm s LYS 69 CO -0.04 0.31 0.44 -0.06 -0.36 0.00 0.00 175.35 175.64 2cpm s PHE 70 N 0.21 2.83 -0.09 4.03 0.08 -0.22 -5.03 117.98 119.80 2cpm s PHE 70 Ca 0.00 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 56.66 2cpm s PHE 70 Cb -0.13 -2.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.14 2cpm s PHE 70 CO 0.02 -0.15 -0.05 1.14 -0.10 0.00 0.00 175.22 176.08 2cpm s GLN 71 N -4.18 2.94 -0.62 0.44 0.00 -1.26 -3.98 119.66 113.00 2cpm s GLN 71 Ca 0.49 -0.52 -0.26 0.00 -0.00 0.00 0.00 55.36 55.07 2cpm s GLN 71 Cb -0.07 -2.68 -0.02 0.00 0.00 0.00 0.00 33.01 30.24 2cpm s GLN 71 CO 0.30 0.60 1.87 -1.25 0.00 0.00 0.00 175.29 176.81 2cpm s PRO 72 N -0.64 2.62 -0.21 9.60 0.04 -1.26 -4.79 135.00 140.36 2cpm s PRO 72 Ca 0.10 0.60 -0.06 0.00 0.04 0.00 0.00 61.00 61.67 2cpm s PRO 72 Cb -0.12 -4.40 -0.20 0.00 0.04 0.00 0.00 34.50 29.83 2cpm s PRO 72 CO 0.02 -2.75 0.01 -1.33 0.04 0.00 0.00 177.00 172.98 2cpm n MET 73 N 9.18 0.67 -4.54 4.56 2.81 -1.26 -5.03 117.12 123.51 2cpm n MET 73 Ca 0.21 0.26 -0.26 0.00 -1.81 0.00 0.00 57.70 56.09 2cpm n MET 73 Cb 0.52 -1.61 -0.08 0.00 -0.71 0.00 0.00 33.22 31.34 2cpm n MET 73 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2cpm s ASN 74 N -6.89 2.95 -0.07 7.83 -0.87 -1.26 -5.07 114.94 111.56 2cpm s ASN 74 Ca -0.31 -1.65 0.04 0.00 -1.57 0.00 0.00 52.86 49.38 2cpm s ASN 74 Cb 0.09 0.45 -0.24 0.00 -0.02 0.00 0.00 41.25 41.53 2cpm s ASN 74 CO 0.64 -0.89 0.54 0.29 -2.57 0.00 0.00 177.10 175.11 2cpm n LYS 75 N -0.94 0.69 -0.01 -0.60 4.76 -1.26 -4.33 118.16 116.46 2cpm n LYS 75 Ca -0.07 0.29 -0.15 0.00 -2.87 0.00 0.00 58.31 55.50 2cpm n LYS 75 Cb 0.65 -1.76 -0.14 0.00 -1.84 0.00 0.00 35.03 31.94 2cpm n LYS 75 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2cpm n ILE 76 N -3.23 1.69 -0.64 -0.18 2.08 -1.26 -4.11 119.36 113.71 2cpm n ILE 76 Ca -0.23 -0.73 0.49 0.00 0.56 0.00 0.00 62.75 62.85 2cpm n ILE 76 Cb 1.05 -1.37 0.78 0.00 -0.75 0.00 0.00 39.64 39.34 2cpm n ILE 76 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2cpm n GLU 77 N -3.26 -0.01 0.20 0.38 1.02 -1.26 0.49 120.64 118.20 2cpm n GLU 77 Ca -0.25 1.13 -0.15 0.00 -0.02 0.00 0.00 57.16 57.88 2cpm n GLU 77 Cb 1.05 -2.49 -0.08 0.00 -0.02 0.00 0.00 31.44 29.91 2cpm n GLU 77 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2cpm h ARG 78 N 0.00 -0.49 -0.29 3.49 9.65 -1.78 -0.07 114.38 124.88 2cpm h ARG 78 Ca 0.92 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.82 2cpm h ARG 78 Cb 3.49 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 32.17 2cpm h ARG 78 CO -0.15 -0.33 0.13 1.03 2.80 0.00 0.00 179.97 183.46 2cpm h SER 79 N -0.51 0.39 0.27 -3.80 0.87 -0.22 -2.09 113.55 108.46 2cpm h SER 79 Ca -0.03 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.39 2cpm h SER 79 Cb 0.42 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 2cpm h SER 79 CO 0.03 0.42 -0.42 0.40 -0.53 0.00 0.00 176.83 176.74 2cpm h ILE 80 N 0.33 0.16 -0.38 2.23 2.04 -1.32 -2.41 117.51 118.17 2cpm h ILE 80 Ca 0.10 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.04 2cpm h ILE 80 Cb 0.14 0.16 -0.08 0.00 -0.74 0.00 0.00 36.82 36.30 2cpm h ILE 80 CO -0.01 0.00 -0.13 0.25 0.00 0.00 0.00 178.15 178.26 2cpm h LEU 81 N -0.76 -0.45 -0.63 1.44 5.85 -0.98 -2.17 115.31 117.62 2cpm h LEU 81 Ca -0.01 0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.93 2cpm h LEU 81 Cb 0.72 0.27 -0.11 0.00 0.37 0.00 0.00 40.66 41.91 2cpm h LEU 81 CO -0.15 -0.16 -0.41 0.45 -0.34 0.00 0.00 178.44 177.83 2cpm h HIS 82 N -0.05 -1.19 -0.26 1.25 3.86 -1.05 -0.27 115.15 117.45 2cpm h HIS 82 Ca 0.18 0.08 0.06 0.00 -1.16 0.00 0.00 60.37 59.54 2cpm h HIS 82 Cb 0.33 0.61 -0.07 0.00 1.06 0.00 0.00 27.41 29.34 2cpm h HIS 82 CO -0.37 -0.41 -0.20 0.22 0.86 0.00 0.00 177.93 178.03 2cpm h ASP 83 N -0.19 -0.65 -0.94 2.45 1.82 -0.92 -0.90 116.42 117.09 2cpm h ASP 83 Ca 0.21 0.13 0.19 0.00 -0.39 0.00 0.00 57.03 57.16 2cpm h ASP 83 Cb 0.56 0.32 -0.11 0.00 0.68 0.00 0.00 39.33 40.79 2cpm h ASP 83 CO -0.72 -0.24 0.52 0.58 -1.61 0.00 0.00 179.24 177.78 2cpm h VAL 84 N -0.19 0.66 0.88 2.25 2.07 -0.68 -2.35 116.25 118.89 2cpm h VAL 84 Ca 0.14 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2cpm h VAL 84 Cb 0.41 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2cpm h VAL 84 CO -0.38 0.12 -0.42 0.58 0.02 0.00 0.00 177.57 177.49 2cpm h VAL 85 N 0.65 0.00 -0.87 2.57 2.07 0.15 -1.60 116.25 119.22 2cpm h VAL 85 Ca 0.55 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 68.17 2cpm h VAL 85 Cb 0.88 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.51 2cpm h VAL 85 CO -0.41 0.00 -0.40 -0.33 0.02 0.00 0.00 177.57 176.45 2cpm h GLU 86 N -1.21 -0.05 -0.97 1.57 4.39 -0.90 0.57 114.58 117.98 2cpm h GLU 86 Ca -0.12 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.66 2cpm h GLU 86 Cb 0.90 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.49 2cpm h GLU 86 CO 0.20 -0.04 0.61 0.28 -1.16 0.00 0.00 179.01 178.91 2cpm h VAL 87 N -0.06 1.04 -0.04 3.13 2.07 -1.41 -0.59 116.25 120.40 2cpm h VAL 87 Ca 0.29 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2cpm h VAL 87 Cb 0.57 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2cpm h VAL 87 CO -0.89 0.20 -0.10 0.00 0.02 0.00 0.00 177.57 176.79 2cpm h ALA 88 N 1.46 1.75 0.00 1.67 0.00 0.11 -3.46 119.26 120.78 2cpm h ALA 88 Ca 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2cpm h ALA 88 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2cpm h ALA 88 CO -0.19 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2cpm n GLY 89 N -1.15 1.93 3.44 0.00 0.00 -0.19 -5.09 105.19 104.14 2cpm n GLY 89 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 2cpm n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cpm s LEU 90 N 0.00 2.34 0.16 0.99 1.43 -1.13 -4.58 118.68 117.89 2cpm s LEU 90 Ca 0.00 -1.29 -0.16 0.00 -1.03 0.00 0.00 54.13 51.65 2cpm s LEU 90 Cb 0.00 -0.49 -0.07 0.00 0.03 0.00 0.00 46.19 45.66 2cpm s LEU 90 CO 0.00 -0.49 0.59 -0.89 0.23 0.00 0.00 176.35 175.79 2cpm s THR 91 N -3.17 4.78 -0.04 5.49 2.01 0.38 -3.97 115.64 121.13 2cpm s THR 91 Ca 0.33 0.96 0.02 0.00 0.31 0.00 0.00 61.69 63.31 2cpm s THR 91 Cb 0.07 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.82 2cpm s THR 91 CO 0.14 0.25 -0.08 -0.94 -0.69 0.00 0.00 174.62 173.29 2cpm s SER 92 N -1.68 1.18 -0.16 3.53 1.04 -1.26 -0.81 113.70 115.55 2cpm s SER 92 Ca 0.39 -0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.54 2cpm s SER 92 Cb -0.16 -0.42 0.05 0.00 0.10 0.00 0.00 66.02 65.60 2cpm s SER 92 CO 0.20 0.03 0.39 -0.36 0.98 0.00 0.00 173.24 174.47 2cpm s PHE 93 N 0.45 -0.55 -0.29 5.02 0.08 -0.08 -5.00 117.98 117.61 2cpm s PHE 93 Ca -0.07 1.20 -0.14 0.00 0.12 0.00 0.00 56.93 58.04 2cpm s PHE 93 Cb -0.11 0.23 -0.03 0.00 -0.57 0.00 0.00 43.02 42.53 2cpm s PHE 93 CO 0.01 -0.31 0.34 -1.12 -0.10 0.00 0.00 175.22 174.03 2cpm s SER 94 N 1.25 6.19 -0.10 1.36 0.01 -1.26 0.09 113.70 121.24 2cpm s SER 94 Ca -0.08 0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.30 2cpm s SER 94 Cb -0.08 -2.19 0.02 0.00 0.21 0.00 0.00 66.02 63.98 2cpm s SER 94 CO -0.11 -0.19 -0.12 -0.36 0.41 0.00 0.00 173.24 172.87 2cpm s PHE 95 N 2.00 1.64 -0.01 2.43 0.08 -0.85 -4.96 117.98 118.32 2cpm s PHE 95 Ca 0.13 -0.74 0.01 0.00 0.12 0.00 0.00 56.93 56.45 2cpm s PHE 95 Cb -0.16 -1.24 0.00 0.00 -0.57 0.00 0.00 43.02 41.05 2cpm s PHE 95 CO 0.11 -0.43 -0.03 0.20 -0.10 0.00 0.00 175.22 174.97 2cpm s GLY 96 N 1.12 0.17 0.04 4.36 0.00 -1.26 -3.46 107.32 108.29 2cpm s GLY 96 Ca -0.05 -0.10 -0.19 0.00 0.00 0.00 0.00 44.72 44.38 2cpm s GLY 96 CO -0.02 -0.02 1.27 -2.09 0.00 0.00 0.00 173.10 172.23 2cpm h GLU 97 N 6.23 0.46 -6.39 2.90 4.81 -1.90 -3.45 114.58 117.23 2cpm h GLU 97 Ca -0.29 -0.32 -0.69 0.00 -0.13 0.00 0.00 59.36 57.93 2cpm h GLU 97 Cb 1.19 0.05 -0.24 0.00 0.63 0.00 0.00 28.75 30.38 2cpm h GLU 97 CO 0.50 0.94 -0.79 0.34 -0.73 0.00 0.00 179.01 179.27 2cpm s ASP 98 N -6.45 3.86 0.25 1.04 2.15 -1.22 -5.02 116.67 111.28 2cpm s ASP 98 Ca -0.13 -0.26 -0.04 0.00 0.43 0.00 0.00 52.55 52.54 2cpm s ASP 98 Cb 0.05 -0.75 0.51 0.00 -0.30 0.00 0.00 42.92 42.43 2cpm s ASP 98 CO 0.80 0.33 1.65 0.44 -0.17 0.00 0.00 175.17 178.22 2cpm h ASP 99 N 5.28 -0.19 -0.68 -0.34 5.19 -2.04 0.17 116.42 123.81 2cpm h ASP 99 Ca -0.46 0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.11 2cpm h ASP 99 Cb 1.15 0.29 -0.03 0.00 0.18 0.00 0.00 39.33 40.92 2cpm h ASP 99 CO 0.50 -0.14 0.34 -0.78 -3.12 0.00 0.00 179.24 176.04 2cpm h ASP 100 N 0.16 0.88 -3.30 6.45 3.58 -1.99 -3.38 116.42 118.83 2cpm h ASP 100 Ca 0.45 -0.12 -0.74 0.00 0.42 0.00 0.00 57.03 57.04 2cpm h ASP 100 Cb 0.81 -0.22 -0.22 0.00 1.72 0.00 0.00 39.33 41.42 2cpm h ASP 100 CO -0.63 0.75 -0.30 0.00 -2.88 0.00 0.00 179.24 176.18 2cpm s ARG 102 N 1.71 0.96 0.44 0.00 6.06 -1.25 -3.40 118.95 123.47 2cpm s ARG 102 Ca 0.05 -0.95 0.02 0.00 -2.50 0.00 0.00 55.73 52.35 2cpm s ARG 102 Cb -0.24 -2.25 0.00 0.00 0.06 0.00 0.00 34.95 32.52 2cpm s ARG 102 CO 0.07 -0.81 0.64 1.52 -2.50 0.00 0.00 175.30 174.23 2cpm s TYR 103 N 1.57 3.12 -0.10 5.12 -0.85 -1.22 -4.52 117.35 120.48 2cpm s TYR 103 Ca 0.04 0.08 0.01 0.00 -0.52 0.00 0.00 57.07 56.67 2cpm s TYR 103 Cb -0.18 -2.32 -0.02 0.00 0.38 0.00 0.00 41.96 39.82 2cpm s TYR 103 CO -0.15 -0.38 -0.12 0.54 -1.52 0.00 0.00 175.55 173.92 2cpm s VAL 104 N -2.50 3.22 0.26 -3.49 0.11 -1.26 -2.01 120.40 114.73 2cpm s VAL 104 Ca 0.49 -0.63 0.11 0.00 -2.93 0.00 0.00 61.98 59.02 2cpm s VAL 104 Cb -0.10 -2.32 -0.05 0.00 -1.53 0.00 0.00 36.38 32.38 2cpm s VAL 104 CO 0.36 0.55 -0.13 -0.04 -3.33 0.00 0.00 175.10 172.52 2cpm s MET 105 N -0.18 1.91 0.01 1.54 -1.94 0.11 -1.05 119.30 119.70 2cpm s MET 105 Ca 0.01 -1.58 -0.01 0.00 -1.71 0.00 0.00 55.69 52.40 2cpm s MET 105 Cb -0.13 -1.94 -0.01 0.00 2.01 0.00 0.00 34.83 34.75 2cpm s MET 105 CO 0.03 0.36 -0.01 0.96 -0.01 0.00 0.00 175.02 176.35 2cpm s ILE 106 N -2.30 0.08 0.24 2.53 -4.36 -0.79 -0.90 121.20 115.69 2cpm s ILE 106 Ca 0.29 -0.63 0.02 0.00 -0.26 0.00 0.00 60.65 60.06 2cpm s ILE 106 Cb -0.06 -0.20 -0.05 0.00 1.25 0.00 0.00 42.46 43.40 2cpm s ILE 106 CO 0.16 -0.35 0.06 -0.36 0.24 0.00 0.00 174.94 174.70 2cpm s PHE 107 N -1.03 1.46 0.69 1.37 0.40 0.01 -2.12 117.98 118.77 2cpm s PHE 107 Ca -0.11 -1.12 -0.03 0.00 -0.60 0.00 0.00 56.93 55.07 2cpm s PHE 107 Cb -0.07 -0.85 0.09 0.00 0.51 0.00 0.00 43.02 42.70 2cpm s PHE 107 CO -0.01 -0.28 0.97 0.15 0.70 0.00 0.00 175.22 176.76 2cpm s LYS 108 N -3.99 1.92 0.01 0.44 1.02 -1.08 -0.47 119.74 117.60 2cpm s LYS 108 Ca 0.34 -0.78 -0.25 0.00 0.02 0.00 0.00 55.97 55.30 2cpm s LYS 108 Cb 0.07 -2.29 -0.17 0.00 -0.52 0.00 0.00 37.83 34.92 2cpm s LYS 108 CO 0.11 -1.30 1.26 -0.22 -0.92 0.00 0.00 175.35 174.28 2cpm h LYS 109 N -0.49 -0.32 -0.06 1.68 1.63 -1.94 0.40 116.57 117.48 2cpm h LYS 109 Ca -0.40 0.02 -0.21 0.00 -0.85 0.00 0.00 60.65 59.21 2cpm h LYS 109 Cb 1.28 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.99 2cpm h LYS 109 CO 0.48 0.01 -0.82 1.49 -3.45 0.00 0.00 179.45 177.16 2cpm h GLU 110 N -0.68 0.46 -0.67 1.90 4.81 -1.97 -3.07 114.58 115.36 2cpm h GLU 110 Ca -0.03 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2cpm h GLU 110 Cb 0.47 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2cpm h GLU 110 CO 0.06 1.06 0.00 1.19 -0.73 0.00 0.00 179.01 180.59 2cpm n PHE 111 N -3.82 1.33 -2.30 0.92 3.72 -1.23 -4.95 117.46 111.13 2cpm n PHE 111 Ca -0.06 -0.48 -0.38 0.00 -0.05 0.00 0.00 57.45 56.48 2cpm n PHE 111 Cb 0.76 -0.32 -0.02 0.00 -0.94 0.00 0.00 39.48 38.96 2cpm n PHE 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cpm s ALA 112 N -2.06 3.19 0.78 4.37 0.00 0.14 -4.24 121.76 123.93 2cpm s ALA 112 Ca 0.38 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 2cpm s ALA 112 Cb 0.27 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 20.07 2cpm s ALA 112 CO 0.14 -0.51 1.09 -1.25 0.00 0.00 0.00 175.76 175.23 2cpm s PRO 113 N -2.22 2.22 0.50 0.00 0.04 -1.26 -5.01 135.00 129.27 2cpm s PRO 113 Ca 0.56 1.17 0.06 0.00 0.04 0.00 0.00 61.00 62.83 2cpm s PRO 113 Cb -0.31 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.37 2cpm s PRO 113 CO 0.39 -1.67 0.69 -1.12 0.04 0.00 0.00 177.00 175.33 2cpm s SER 114 N -3.39 5.38 0.02 6.66 0.01 -1.26 -4.90 113.70 116.23 2cpm s SER 114 Ca 0.61 -0.38 -0.10 0.00 1.31 0.00 0.00 55.95 57.40 2cpm s SER 114 Cb -0.17 -0.52 -0.05 0.00 0.21 0.00 0.00 66.02 65.49 2cpm s SER 114 CO 0.56 -1.02 1.15 0.44 0.41 0.00 0.00 173.24 174.77 2cpm h ASP 115 N 0.34 -0.34 -0.70 2.44 3.32 -1.99 0.46 116.42 119.95 2cpm h ASP 115 Ca -0.39 0.02 0.10 0.00 0.02 0.00 0.00 57.03 56.78 2cpm h ASP 115 Cb 1.28 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.87 2cpm h ASP 115 CO 0.46 -0.19 0.33 -0.33 -1.72 0.00 0.00 179.24 177.79 2cpm h GLU 116 N -0.30 0.54 -0.80 3.56 3.07 -2.00 -1.26 114.58 117.38 2cpm h GLU 116 Ca -0.02 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.82 2cpm h GLU 116 Cb 0.25 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 27.99 2cpm h GLU 116 CO 0.01 0.36 0.52 0.93 -1.40 0.00 0.00 179.01 179.43 2cpm h GLU 117 N 0.55 1.02 0.15 2.33 4.39 -1.93 -2.24 114.58 118.84 2cpm h GLU 117 Ca 0.35 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 60.00 2cpm h GLU 117 Cb 0.39 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 2cpm h GLU 117 CO -0.29 0.67 -0.23 -0.07 -1.16 0.00 0.00 179.01 177.94 2cpm h LEU 118 N 1.05 -0.63 -0.84 1.33 3.38 0.11 0.38 115.31 120.09 2cpm h LEU 118 Ca 0.30 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.45 2cpm h LEU 118 Cb -0.08 0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 2cpm h LEU 118 CO -0.08 -0.32 0.48 -0.78 0.09 0.00 0.00 178.44 177.83 2cpm h ASP 119 N -0.44 0.67 1.36 -0.43 1.82 -1.22 0.19 116.42 118.36 2cpm h ASP 119 Ca 0.02 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 2cpm h ASP 119 Cb 0.45 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.39 2cpm h ASP 119 CO -0.11 0.36 0.00 0.28 -1.61 0.00 0.00 179.24 178.17 2cpm h SER 120 N 0.77 0.00 1.06 2.28 0.02 -0.87 -2.15 113.55 114.66 2cpm h SER 120 Ca 0.42 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.18 2cpm h SER 120 Cb 0.43 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 2cpm h SER 120 CO -0.27 0.00 -0.98 1.88 -1.14 0.00 0.00 176.83 176.32 2cpm h TYR 121 N 0.00 0.00 0.05 3.45 0.05 0.27 -3.30 116.97 117.50 2cpm h TYR 121 Ca 0.00 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.47 2cpm h TYR 121 Cb 0.68 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.39 2cpm h TYR 121 CO 0.00 0.81 -1.71 0.07 -1.05 0.00 0.00 178.16 176.29 2cpm h ARG 122 N 0.00 0.11 -0.13 4.88 0.11 -1.07 -3.33 114.38 114.95 2cpm h ARG 122 Ca -0.06 -0.20 0.04 0.00 0.10 0.00 0.00 59.98 59.87 2cpm h ARG 122 Cb 1.67 0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.82 2cpm h ARG 122 CO 0.10 0.82 0.10 0.07 0.10 0.00 0.00 179.97 181.16 2cpm h ARG 123 N 0.03 0.00 -1.52 0.08 0.11 -1.50 -3.44 114.38 108.14 2cpm h ARG 123 Ca -0.30 0.00 0.15 0.00 0.10 0.00 0.00 59.98 59.93 2cpm h ARG 123 Cb 2.01 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 33.00 2cpm h ARG 123 CO 0.10 0.00 -0.56 0.41 0.10 0.00 0.00 179.97 180.02 2cpm n GLY 124 N -1.53 -2.96 3.69 0.08 0.00 -1.24 -4.76 105.19 98.46 2cpm n GLY 124 Ca 0.00 -1.27 -0.50 0.00 0.00 0.00 0.00 46.02 44.25 2cpm n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cpm n SER 125 N -3.01 3.24 0.00 1.61 3.41 -1.26 -4.88 113.62 112.73 2cpm n SER 125 Ca -0.04 1.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 2cpm n SER 125 Cb 0.30 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 2cpm n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cpm n GLY 126 N 4.32 3.88 3.57 5.00 0.00 -1.26 -5.10 105.19 115.60 2cpm n GLY 126 Ca 0.23 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 2cpm n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cpm s PRO 127 N 1.84 2.87 -0.33 1.61 0.04 -1.26 -4.96 135.00 134.80 2cpm s PRO 127 Ca 0.00 0.83 -0.21 0.00 0.04 0.00 0.00 61.00 61.66 2cpm s PRO 127 Cb 0.00 -4.32 -0.00 0.00 0.04 0.00 0.00 34.50 30.22 2cpm s PRO 127 CO 0.00 -2.44 0.66 -1.12 0.04 0.00 0.00 177.00 174.14 2cpm s SER 128 N 7.30 6.49 0.10 6.66 0.01 -1.26 -4.96 113.70 128.04 2cpm s SER 128 Ca 0.70 0.34 -0.27 0.00 1.31 0.00 0.00 55.95 58.02 2cpm s SER 128 Cb -0.15 -2.34 -0.12 0.00 0.21 0.00 0.00 66.02 63.62 2cpm s SER 128 CO 0.25 -0.56 1.66 0.77 0.41 0.00 0.00 173.24 175.77 2cpm h SER 129 N 8.31 -0.60 0.00 2.44 4.64 -2.07 -3.57 113.55 122.70 2cpm h SER 129 Ca -0.26 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2cpm h SER 129 Cb 1.11 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2cpm h SER 129 CO 0.83 -0.33 0.00 0.61 -0.87 0.00 0.00 176.83 177.08