#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpm s SER 38 N 0.00 5.14 0.09 1.61 1.04 -1.26 -4.98 113.70 115.34 2cpm s SER 38 Ca 0.00 1.77 -0.14 0.00 0.48 0.00 0.00 55.95 58.05 2cpm s SER 38 Cb 0.00 -2.52 -0.14 0.00 0.10 0.00 0.00 66.02 63.46 2cpm s SER 38 CO 0.00 -1.61 1.31 0.77 0.98 0.00 0.00 173.24 174.69 2cpm h SER 39 N -0.54 0.83 -4.99 7.02 4.64 -2.13 -3.50 113.55 114.88 2cpm h SER 39 Ca -0.45 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.28 2cpm h SER 39 Cb 1.22 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2cpm h SER 39 CO 0.55 1.28 0.00 0.61 -0.87 0.00 0.00 176.83 178.40 2cpm n GLY 40 N 0.58 0.97 3.86 -0.77 0.00 -1.26 -5.00 105.19 103.57 2cpm n GLY 40 Ca -0.07 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.57 2cpm n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cpm s SER 41 N -0.05 6.73 0.08 1.61 1.04 -1.26 -5.00 113.70 116.86 2cpm s SER 41 Ca 0.00 0.95 -0.01 0.00 0.48 0.00 0.00 55.95 57.38 2cpm s SER 41 Cb 0.00 -2.24 -0.26 0.00 0.10 0.00 0.00 66.02 63.62 2cpm s SER 41 CO 0.00 0.10 1.15 0.77 0.98 0.00 0.00 173.24 176.25 2cpm h SER 42 N 3.46 0.29 0.00 7.02 4.64 -2.04 -3.48 113.55 123.45 2cpm h SER 42 Ca -0.48 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 2cpm h SER 42 Cb 1.19 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2cpm h SER 42 CO 0.67 1.25 0.00 0.61 -0.87 0.00 0.00 176.83 178.49 2cpm n GLY 43 N 1.49 3.94 3.75 -0.77 0.00 -1.26 -5.11 105.19 107.22 2cpm n GLY 43 Ca -0.07 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 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 0.00 3.04 0.48 1.61 -1.52 -1.26 -4.90 119.66 117.12 2cpm s GLN 44 Ca 0.00 2.14 0.24 0.00 -1.95 0.00 0.00 55.36 55.79 2cpm s GLN 44 Cb 0.00 -2.16 1.22 0.00 -0.22 0.00 0.00 33.01 31.86 2cpm s GLN 44 CO 0.00 -1.24 1.98 0.87 -0.25 0.00 0.00 175.29 176.66 2cpm h LYS 45 N 1.26 0.00 -0.67 2.91 1.79 -2.01 -3.23 116.57 116.62 2cpm h LYS 45 Ca -0.51 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.09 2cpm h LYS 45 Cb 1.30 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.83 2cpm h LYS 45 CO 0.56 0.18 -0.20 0.28 -1.08 0.00 0.00 179.45 179.19 2cpm n VAL 46 N -3.68 -0.31 0.16 0.50 0.31 -1.26 0.62 118.33 114.67 2cpm n VAL 46 Ca -0.01 1.55 -0.15 0.00 -0.01 0.00 0.00 64.34 65.72 2cpm n VAL 46 Cb 0.30 -2.12 -0.07 0.00 -0.91 0.00 0.00 33.84 31.04 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 -0.67 -0.13 5.55 4.39 -1.95 -2.35 114.58 119.42 2cpm h GLU 47 Ca 0.29 0.05 0.04 0.00 0.34 0.00 0.00 59.36 60.08 2cpm h GLU 47 Cb 0.46 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 29.20 2cpm h GLU 47 CO -0.68 -0.45 -0.45 0.35 -1.16 0.00 0.00 179.01 176.62 2cpm h PHE 48 N -0.69 -1.28 -0.88 4.33 3.57 -0.04 -1.73 116.94 120.21 2cpm h PHE 48 Ca 0.00 0.05 0.17 0.00 3.53 0.00 0.00 57.97 61.72 2cpm h PHE 48 Cb 0.68 0.58 -0.16 0.00 2.79 0.00 0.00 35.95 39.84 2cpm h PHE 48 CO -0.31 -0.49 -0.27 -0.09 -2.23 0.00 0.00 178.31 174.91 2cpm h ARG 49 N -0.52 -0.02 -0.29 1.11 2.43 -1.05 0.23 114.38 116.28 2cpm h ARG 49 Ca 0.07 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 2cpm h ARG 49 Cb 0.64 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.14 2cpm h ARG 49 CO -0.40 -0.01 -0.10 0.87 -1.51 0.00 0.00 179.97 178.81 2cpm h LYS 50 N -0.02 -0.04 -0.34 0.20 1.57 -0.79 -1.80 116.57 115.36 2cpm h LYS 50 Ca 0.39 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.25 2cpm h LYS 50 Cb 0.63 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.87 2cpm h LYS 50 CO -0.91 -0.03 -0.22 -0.09 -0.57 0.00 0.00 179.45 177.64 2cpm h ARG 51 N -0.04 -0.17 -0.50 3.15 2.43 -0.05 -1.35 114.38 117.85 2cpm h ARG 51 Ca 0.15 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.41 2cpm h ARG 51 Cb 0.26 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.78 2cpm h ARG 51 CO -0.32 -0.11 0.12 0.52 -1.51 0.00 0.00 179.97 178.67 2cpm h MET 52 N -0.17 0.26 -0.62 0.20 2.86 -0.80 -0.99 114.93 115.66 2cpm h MET 52 Ca 0.17 -0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.92 2cpm h MET 52 Cb 0.44 -0.06 -0.10 0.00 0.06 0.00 0.00 31.60 31.95 2cpm h MET 52 CO -0.44 0.17 0.09 0.93 1.06 0.00 0.00 176.91 178.71 2cpm h GLU 53 N 0.27 0.20 -0.24 1.72 5.08 -0.43 0.40 114.58 121.58 2cpm h GLU 53 Ca 0.25 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2cpm h GLU 53 Cb 0.32 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2cpm h GLU 53 CO -0.31 0.13 0.05 -0.22 -1.00 0.00 0.00 179.01 177.66 2cpm h LYS 54 N 0.20 0.39 0.44 2.33 1.63 -0.77 -2.13 116.57 118.68 2cpm h LYS 54 Ca 0.33 -0.10 -0.02 0.00 -0.85 0.00 0.00 60.65 60.01 2cpm h LYS 54 Cb 0.52 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 2cpm h LYS 54 CO -0.46 0.51 -0.21 0.93 -3.45 0.00 0.00 179.45 176.76 2cpm h GLU 55 N 0.20 -0.58 -0.73 1.90 4.39 -0.16 -2.06 114.58 117.55 2cpm h GLU 55 Ca 0.07 0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.90 2cpm h GLU 55 Cb 0.30 0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 28.97 2cpm h GLU 55 CO 0.00 -0.38 -0.51 0.28 -1.16 0.00 0.00 179.01 177.24 2cpm h VAL 56 N -0.63 0.03 -0.45 3.13 2.07 -0.33 -0.35 116.25 119.72 2cpm h VAL 56 Ca -0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.54 2cpm h VAL 56 Cb 0.46 0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 30.16 2cpm h VAL 56 CO 0.10 0.00 -0.35 -1.28 0.02 0.00 0.00 177.57 176.06 2cpm h SER 57 N -0.17 -1.17 -0.65 0.57 0.87 -1.42 0.51 113.55 112.10 2cpm h SER 57 Ca 0.17 0.20 0.13 0.00 -1.23 0.00 0.00 61.79 61.07 2cpm h SER 57 Cb 0.53 0.55 -0.10 0.00 -0.44 0.00 0.00 62.40 62.93 2cpm h SER 57 CO -0.79 -0.33 0.11 -0.78 -0.53 0.00 0.00 176.83 174.52 2cpm h ASP 58 N -0.24 -0.06 -0.76 6.23 1.82 -0.36 0.53 116.42 123.57 2cpm h ASP 58 Ca 0.18 0.13 -0.02 0.00 -0.39 0.00 0.00 57.03 56.93 2cpm h ASP 58 Cb 0.55 0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.72 2cpm h ASP 58 CO -0.58 -0.04 0.39 0.15 -1.61 0.00 0.00 179.24 177.56 2cpm h PHE 59 N 0.23 1.08 0.46 0.28 3.04 0.24 -2.18 116.94 120.08 2cpm h PHE 59 Ca 0.35 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.26 2cpm h PHE 59 Cb 0.57 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 2cpm h PHE 59 CO -0.28 0.77 -0.39 0.82 -2.02 0.00 0.00 178.31 177.21 2cpm h ILE 60 N 1.09 0.22 -0.94 1.41 2.04 0.11 -2.55 117.51 118.88 2cpm h ILE 60 Ca 0.27 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.21 2cpm h ILE 60 Cb 0.07 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.30 2cpm h ILE 60 CO -0.04 0.00 0.61 1.56 0.00 0.00 0.00 178.15 180.28 2cpm h GLN 61 N -0.84 1.01 -6.11 2.37 4.20 -1.30 -3.40 115.11 111.04 2cpm h GLN 61 Ca -0.04 -0.06 -0.57 0.00 0.06 0.00 0.00 58.65 58.03 2cpm h GLN 61 Cb 0.73 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2cpm h GLN 61 CO -0.02 0.67 1.40 -0.51 -0.67 0.00 0.00 178.83 179.70 2cpm s ASP 62 N -5.93 5.76 -0.01 1.46 1.11 -0.83 -4.89 116.67 113.33 2cpm s ASP 62 Ca -0.12 2.07 -0.09 0.00 0.18 0.00 0.00 52.55 54.60 2cpm s ASP 62 Cb 0.20 -2.52 -0.05 0.00 1.07 0.00 0.00 42.92 41.63 2cpm s ASP 62 CO 0.80 -1.69 0.60 0.28 1.18 0.00 0.00 175.17 176.34 2cpm h SER 63 N 13.66 -0.26 -1.07 0.27 0.02 -1.82 -3.25 113.55 121.09 2cpm h SER 63 Ca -0.43 0.01 0.41 0.00 -0.84 0.00 0.00 61.79 60.94 2cpm h SER 63 Cb 1.23 0.07 -0.15 0.00 0.14 0.00 0.00 62.40 63.69 2cpm h SER 63 CO 0.96 -0.06 0.63 0.61 -1.14 0.00 0.00 176.83 177.83 2cpm n GLY 64 N 0.38 -0.73 3.64 -3.77 0.00 -1.26 -4.09 105.19 99.36 2cpm n GLY 64 Ca -0.04 0.73 -0.43 0.00 0.00 0.00 0.00 46.02 46.28 2cpm n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cpm s GLN 65 N -5.29 4.01 -0.14 1.61 -1.52 -1.23 -4.86 119.66 112.24 2cpm s GLN 65 Ca -0.08 1.49 0.16 0.00 -1.95 0.00 0.00 55.36 54.98 2cpm s GLN 65 Cb 0.30 -3.87 -0.22 0.00 -0.22 0.00 0.00 33.01 29.00 2cpm s GLN 65 CO 0.74 -1.00 0.13 0.44 -0.25 0.00 0.00 175.29 175.35 2cpm n ILE 66 N 5.94 0.91 -3.93 1.08 -5.35 -1.26 -4.90 119.36 111.85 2cpm n ILE 66 Ca 0.15 -0.65 -0.09 0.00 -0.27 0.00 0.00 62.75 61.89 2cpm n ILE 66 Cb 0.46 -0.42 -0.08 0.00 -1.74 0.00 0.00 39.64 37.86 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 -2.59 0.89 -0.09 6.28 -2.85 -1.26 -2.26 119.74 117.86 2cpm s LYS 67 Ca -0.08 -1.08 -0.05 0.00 -1.00 0.00 0.00 55.97 53.76 2cpm s LYS 67 Cb 0.06 0.33 0.04 0.00 -2.06 0.00 0.00 37.83 36.20 2cpm s LYS 67 CO 0.71 -0.28 0.21 0.21 0.10 0.00 0.00 175.35 176.29 2cpm s LYS 68 N -3.91 0.19 -0.04 1.78 2.20 -0.87 -5.04 119.74 114.05 2cpm s LYS 68 Ca 0.10 0.43 -0.02 0.00 -0.36 0.00 0.00 55.97 56.11 2cpm s LYS 68 Cb 0.05 -0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.26 2cpm s LYS 68 CO -0.07 -0.13 0.10 0.21 -0.36 0.00 0.00 175.35 175.10 2cpm s LYS 69 N 0.93 3.20 0.38 4.03 2.20 -1.26 -1.78 119.74 127.44 2cpm s LYS 69 Ca -0.07 -0.38 0.08 0.00 -0.36 0.00 0.00 55.97 55.25 2cpm s LYS 69 Cb -0.08 -2.96 -0.07 0.00 -1.51 0.00 0.00 37.83 33.20 2cpm s LYS 69 CO -0.06 0.68 -0.03 -0.06 -0.36 0.00 0.00 175.35 175.53 2cpm s PHE 70 N -1.15 2.48 -0.06 4.03 0.08 -0.37 -5.02 117.98 117.96 2cpm s PHE 70 Ca 0.21 -0.60 0.03 0.00 0.12 0.00 0.00 56.93 56.69 2cpm s PHE 70 Cb -0.12 -1.63 -0.02 0.00 -0.57 0.00 0.00 43.02 40.68 2cpm s PHE 70 CO 0.12 0.50 -0.14 -0.65 -0.10 0.00 0.00 175.22 174.95 2cpm s GLN 71 N -3.68 2.67 -0.84 0.44 -1.52 -1.26 -4.00 119.66 111.47 2cpm s GLN 71 Ca 0.34 -0.68 -0.25 0.00 -1.95 0.00 0.00 55.36 52.82 2cpm s GLN 71 Cb 0.07 -2.43 -0.04 0.00 -0.22 0.00 0.00 33.01 30.38 2cpm s GLN 71 CO 0.18 0.56 1.93 -1.25 -0.25 0.00 0.00 175.29 176.45 2cpm s PRO 72 N -0.55 2.57 -0.16 2.91 0.04 -1.26 -4.75 135.00 133.80 2cpm s PRO 72 Ca 0.08 -0.10 -0.10 0.00 0.04 0.00 0.00 61.00 60.92 2cpm s PRO 72 Cb -0.12 -4.92 -0.23 0.00 0.04 0.00 0.00 34.50 29.27 2cpm s PRO 72 CO 0.01 -3.24 0.27 -1.33 0.04 0.00 0.00 177.00 172.75 2cpm n MET 73 N 8.93 0.70 -4.51 4.56 2.81 -1.26 -5.01 117.12 123.33 2cpm n MET 73 Ca 0.36 0.34 -0.25 0.00 -1.81 0.00 0.00 57.70 56.34 2cpm n MET 73 Cb 0.48 -1.70 -0.09 0.00 -0.71 0.00 0.00 33.22 31.20 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 -6.98 2.76 0.01 7.83 0.01 -1.26 -5.06 114.94 112.25 2cpm s ASN 74 Ca -0.25 -1.58 0.15 0.00 -0.71 0.00 0.00 52.86 50.46 2cpm s ASN 74 Cb 0.07 0.33 -0.18 0.00 0.41 0.00 0.00 41.25 41.88 2cpm s ASN 74 CO 0.70 -0.83 0.75 1.17 -1.51 0.00 0.00 177.10 177.39 2cpm n LYS 75 N -0.87 0.62 -0.02 -0.60 3.00 -1.26 -4.16 118.16 114.88 2cpm n LYS 75 Ca -0.06 0.26 -0.09 0.00 -0.00 0.00 0.00 58.31 58.43 2cpm n LYS 75 Cb 0.66 -1.80 -0.14 0.00 0.00 0.00 0.00 35.03 33.74 2cpm n LYS 75 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2cpm h ILE 76 N 0.00 0.88 -1.56 3.15 1.08 -2.03 -3.36 117.51 115.67 2cpm h ILE 76 Ca -0.22 -2.73 0.48 0.00 -0.39 0.00 0.00 64.86 62.01 2cpm h ILE 76 Cb 1.79 2.43 -0.10 0.00 -3.07 0.00 0.00 36.82 37.87 2cpm h ILE 76 CO 0.06 0.50 1.08 -1.84 -0.69 0.00 0.00 178.15 177.26 2cpm n GLU 77 N -3.06 -0.01 0.10 2.37 -0.00 -1.26 -0.70 120.64 118.08 2cpm n GLU 77 Ca -0.16 1.06 -0.04 0.00 -0.00 0.00 0.00 57.16 58.01 2cpm n GLU 77 Cb 1.05 -2.27 -0.02 0.00 -0.00 0.00 0.00 31.44 30.20 2cpm n GLU 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2cpm h ARG 78 N 0.00 -0.27 -0.69 3.44 9.65 -1.81 0.22 114.38 124.92 2cpm h ARG 78 Ca 0.83 0.02 0.15 0.00 -1.10 0.00 0.00 59.98 59.88 2cpm h ARG 78 Cb 3.06 0.06 -0.11 0.00 -1.39 0.00 0.00 29.97 31.60 2cpm h ARG 78 CO -0.20 -0.18 0.08 1.03 2.80 0.00 0.00 179.97 183.51 2cpm h SER 79 N -0.28 -0.15 0.17 -3.80 0.87 -1.19 0.24 113.55 109.42 2cpm h SER 79 Ca -0.03 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2cpm h SER 79 Cb 0.22 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2cpm h SER 79 CO 0.03 -0.09 -0.10 0.40 -0.53 0.00 0.00 176.83 176.54 2cpm h ILE 80 N 0.19 0.00 -0.79 2.23 2.04 -1.38 -0.82 117.51 118.98 2cpm h ILE 80 Ca 0.38 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.42 2cpm h ILE 80 Cb 0.63 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.59 2cpm h ILE 80 CO -0.53 0.00 0.16 0.25 0.00 0.00 0.00 178.15 178.02 2cpm h LEU 81 N -0.25 -0.08 -0.75 1.44 5.85 -0.29 0.20 115.31 121.44 2cpm h LEU 81 Ca -0.02 0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.95 2cpm h LEU 81 Cb 0.20 0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 2cpm h LEU 81 CO 0.03 -0.11 0.41 0.45 -0.34 0.00 0.00 178.44 178.88 2cpm h HIS 82 N 0.21 0.75 -0.15 1.25 3.86 -0.42 -0.62 115.15 120.02 2cpm h HIS 82 Ca 0.46 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.69 2cpm h HIS 82 Cb 0.84 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 2cpm h HIS 82 CO -0.30 0.31 0.07 0.22 0.86 0.00 0.00 177.93 179.10 2cpm h ASP 83 N 0.71 0.20 -0.44 2.45 3.58 0.88 -0.78 116.42 123.03 2cpm h ASP 83 Ca 0.35 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.69 2cpm h ASP 83 Cb 0.30 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 2cpm h ASP 83 CO -0.23 0.28 0.29 0.58 -2.88 0.00 0.00 179.24 177.27 2cpm h VAL 84 N 0.12 1.09 0.38 2.25 2.07 -0.71 -2.11 116.25 119.34 2cpm h VAL 84 Ca 0.05 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2cpm h VAL 84 Cb 0.13 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2cpm h VAL 84 CO -0.01 0.10 -0.18 0.58 0.02 0.00 0.00 177.57 178.08 2cpm h VAL 85 N 0.56 0.00 -1.17 2.57 2.07 -0.77 -1.83 116.25 117.68 2cpm h VAL 85 Ca 0.17 -0.50 0.34 0.00 0.82 0.00 0.00 66.70 67.52 2cpm h VAL 85 Cb -0.01 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.66 2cpm h VAL 85 CO -0.04 0.00 0.76 1.05 0.02 0.00 0.00 177.57 179.37 2cpm h GLU 86 N -1.02 0.23 -0.11 1.57 -0.00 -1.08 0.42 114.58 114.60 2cpm h GLU 86 Ca -0.05 -0.01 -0.21 0.00 -0.00 0.00 0.00 59.36 59.08 2cpm h GLU 86 Cb 0.40 -0.05 0.01 0.00 -0.00 0.00 0.00 28.75 29.11 2cpm h GLU 86 CO 0.09 0.15 -0.75 0.28 -0.00 0.00 0.00 179.01 178.78 2cpm h VAL 87 N 0.24 1.31 -0.27 -1.06 2.07 -1.41 -3.20 116.25 113.93 2cpm h VAL 87 Ca 0.68 -1.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.17 2cpm h VAL 87 Cb 2.00 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 33.88 2cpm h VAL 87 CO -0.30 0.62 -0.01 0.00 0.02 0.00 0.00 177.57 177.90 2cpm h ALA 88 N 0.49 1.50 0.00 1.67 0.00 0.66 -3.47 119.26 120.11 2cpm h ALA 88 Ca -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2cpm h ALA 88 Cb 1.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2cpm h ALA 88 CO 0.15 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.18 2cpm n GLY 89 N -1.00 1.26 3.45 0.00 0.00 -0.20 -5.10 105.19 103.61 2cpm n GLY 89 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 2.48 0.11 0.99 1.43 -1.18 -4.69 118.68 117.82 2cpm s LEU 90 Ca 0.00 -1.22 -0.27 0.00 -1.03 0.00 0.00 54.13 51.61 2cpm s LEU 90 Cb 0.00 -0.65 -0.06 0.00 0.03 0.00 0.00 46.19 45.51 2cpm s LEU 90 CO 0.00 -0.37 0.83 -0.89 0.23 0.00 0.00 176.35 176.15 2cpm s THR 91 N -3.00 4.53 -0.02 5.49 2.01 0.23 -4.34 115.64 120.54 2cpm s THR 91 Ca 0.31 1.80 0.04 0.00 0.31 0.00 0.00 61.69 64.14 2cpm s THR 91 Cb 0.04 -4.19 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 2cpm s THR 91 CO 0.13 0.40 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.39 2cpm s SER 92 N -0.41 1.60 0.05 3.53 1.04 -1.26 0.10 113.70 118.35 2cpm s SER 92 Ca 0.40 -0.25 -0.07 0.00 0.48 0.00 0.00 55.95 56.51 2cpm s SER 92 Cb -0.22 -0.31 -0.01 0.00 0.10 0.00 0.00 66.02 65.58 2cpm s SER 92 CO 0.26 0.13 0.13 -0.36 0.98 0.00 0.00 173.24 174.39 2cpm s PHE 93 N -0.09 0.18 -0.34 5.02 0.08 -0.69 -4.99 117.98 117.15 2cpm s PHE 93 Ca 0.01 -0.51 -0.04 0.00 0.12 0.00 0.00 56.93 56.51 2cpm s PHE 93 Cb -0.08 -0.12 0.06 0.00 -0.57 0.00 0.00 43.02 42.32 2cpm s PHE 93 CO 0.00 -0.42 0.09 -1.54 -0.10 0.00 0.00 175.22 173.25 2cpm s SER 94 N -2.36 5.12 -0.12 1.36 1.04 -1.26 -2.01 113.70 115.47 2cpm s SER 94 Ca -0.02 -1.44 0.01 0.00 0.48 0.00 0.00 55.95 54.99 2cpm s SER 94 Cb 0.01 -1.79 0.02 0.00 0.10 0.00 0.00 66.02 64.35 2cpm s SER 94 CO -0.06 -0.36 -0.16 -0.36 0.98 0.00 0.00 173.24 173.28 2cpm s PHE 95 N 1.27 2.13 0.06 5.02 0.08 -0.96 -5.01 117.98 120.56 2cpm s PHE 95 Ca -0.01 -1.06 0.00 0.00 0.12 0.00 0.00 56.93 55.99 2cpm s PHE 95 Cb -0.21 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 2cpm s PHE 95 CO -0.01 -0.54 -0.05 0.20 -0.10 0.00 0.00 175.22 174.72 2cpm s GLY 96 N 1.08 0.52 -0.02 4.36 0.00 -1.26 -2.11 107.32 109.89 2cpm s GLY 96 Ca -0.04 -1.08 0.13 0.00 0.00 0.00 0.00 44.72 43.73 2cpm s GLY 96 CO -0.04 -1.17 0.71 1.05 0.00 0.00 0.00 173.10 173.65 2cpm h GLU 97 N 3.56 0.00 -5.15 2.90 4.11 -1.95 -3.46 114.58 114.58 2cpm h GLU 97 Ca -0.34 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.51 2cpm h GLU 97 Cb 1.17 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.10 2cpm h GLU 97 CO 0.58 0.49 -0.84 -0.51 0.07 0.00 0.00 179.01 178.80 2cpm s ASP 98 N -6.09 2.25 0.33 3.06 1.01 -0.48 -5.01 116.67 111.73 2cpm s ASP 98 Ca -0.04 -0.38 0.11 0.00 0.71 0.00 0.00 52.55 52.95 2cpm s ASP 98 Cb 0.08 -0.79 0.98 0.00 1.01 0.00 0.00 42.92 44.20 2cpm s ASP 98 CO 0.82 0.13 1.67 -2.24 0.21 0.00 0.00 175.17 175.76 2cpm h ASP 99 N 6.49 0.45 0.08 0.27 2.03 -2.03 0.12 116.42 123.82 2cpm h ASP 99 Ca -0.30 0.18 -0.23 0.00 -0.73 0.00 0.00 57.03 55.95 2cpm h ASP 99 Cb 1.19 0.14 0.02 0.00 -0.83 0.00 0.00 39.33 39.85 2cpm h ASP 99 CO 0.48 -0.10 -0.94 -0.78 -1.03 0.00 0.00 179.24 176.87 2cpm h ASP 100 N 0.35 0.69 -3.65 4.15 3.58 -2.00 -3.42 116.42 116.11 2cpm h ASP 100 Ca 0.68 -0.82 -0.69 0.00 0.42 0.00 0.00 57.03 56.62 2cpm h ASP 100 Cb 1.49 -0.22 -0.29 0.00 1.72 0.00 0.00 39.33 42.03 2cpm h ASP 100 CO -0.59 1.44 -0.63 0.00 -2.88 0.00 0.00 179.24 176.58 2cpm s ARG 102 N 1.41 0.18 0.47 0.00 1.70 -1.22 -1.38 118.95 120.11 2cpm s ARG 102 Ca -0.01 0.04 0.01 0.00 -0.47 0.00 0.00 55.73 55.30 2cpm s ARG 102 Cb -0.19 -0.31 0.00 0.00 -0.57 0.00 0.00 34.95 33.89 2cpm s ARG 102 CO 0.02 -0.07 0.69 1.52 -1.08 0.00 0.00 175.30 176.38 2cpm s TYR 103 N 0.60 3.14 -0.07 5.89 -0.85 -0.90 -4.54 117.35 120.62 2cpm s TYR 103 Ca -0.06 0.17 0.03 0.00 -0.52 0.00 0.00 57.07 56.69 2cpm s TYR 103 Cb -0.08 -2.41 -0.02 0.00 0.38 0.00 0.00 41.96 39.83 2cpm s TYR 103 CO -0.01 -0.47 -0.16 0.54 -1.52 0.00 0.00 175.55 173.93 2cpm s VAL 104 N -2.59 2.88 0.28 -3.49 0.11 -1.26 -2.27 120.40 114.07 2cpm s VAL 104 Ca 0.50 -0.77 0.08 0.00 -2.93 0.00 0.00 61.98 58.87 2cpm s VAL 104 Cb -0.10 -2.14 -0.06 0.00 -1.53 0.00 0.00 36.38 32.55 2cpm s VAL 104 CO 0.38 0.57 -0.10 -0.04 -3.33 0.00 0.00 175.10 172.58 2cpm s MET 105 N -0.32 1.60 -0.00 1.54 -1.94 -0.85 -1.23 119.30 118.09 2cpm s MET 105 Ca 0.02 -1.79 -0.03 0.00 -1.71 0.00 0.00 55.69 52.18 2cpm s MET 105 Cb -0.13 -1.36 -0.00 0.00 2.01 0.00 0.00 34.83 35.35 2cpm s MET 105 CO 0.02 0.12 0.06 0.96 -0.01 0.00 0.00 175.02 176.17 2cpm s ILE 106 N -2.84 0.06 0.24 2.53 -4.36 -0.74 -1.70 121.20 114.39 2cpm s ILE 106 Ca 0.29 -0.49 0.04 0.00 -0.26 0.00 0.00 60.65 60.24 2cpm s ILE 106 Cb 0.02 -0.25 -0.05 0.00 1.25 0.00 0.00 42.46 43.42 2cpm s ILE 106 CO 0.13 -0.27 -0.02 -0.36 0.24 0.00 0.00 174.94 174.65 2cpm s PHE 107 N -0.85 1.66 0.64 1.37 0.40 0.12 -2.06 117.98 119.26 2cpm s PHE 107 Ca -0.09 -0.85 -0.05 0.00 -0.60 0.00 0.00 56.93 55.34 2cpm s PHE 107 Cb -0.06 -0.96 0.04 0.00 0.51 0.00 0.00 43.02 42.56 2cpm s PHE 107 CO 0.00 0.06 0.93 0.15 0.70 0.00 0.00 175.22 177.06 2cpm s LYS 108 N -3.82 2.47 0.08 0.44 1.02 -0.96 0.78 119.74 119.76 2cpm s LYS 108 Ca 0.28 -0.31 -0.21 0.00 0.02 0.00 0.00 55.97 55.75 2cpm s LYS 108 Cb 0.05 -2.27 -0.11 0.00 -0.52 0.00 0.00 37.83 34.98 2cpm s LYS 108 CO 0.09 -0.97 1.61 -0.22 -0.92 0.00 0.00 175.35 174.94 2cpm h LYS 109 N -0.33 0.21 0.15 1.68 3.64 -1.91 0.65 116.57 120.67 2cpm h LYS 109 Ca -0.44 -0.04 -0.30 0.00 -1.27 0.00 0.00 60.65 58.60 2cpm h LYS 109 Cb 1.30 -0.03 0.03 0.00 -0.41 0.00 0.00 32.23 33.11 2cpm h LYS 109 CO 0.59 0.32 -1.26 1.49 -2.27 0.00 0.00 179.45 178.32 2cpm h GLU 110 N 0.06 0.58 -0.70 1.90 4.81 -1.97 -3.22 114.58 116.05 2cpm h GLU 110 Ca 0.05 -0.83 0.00 0.00 -0.13 0.00 0.00 59.36 58.45 2cpm h GLU 110 Cb 0.19 0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2cpm h GLU 110 CO -0.00 1.38 0.00 1.19 -0.73 0.00 0.00 179.01 180.85 2cpm n PHE 111 N -3.81 0.98 -2.30 0.92 3.72 -1.21 -4.93 117.46 110.82 2cpm n PHE 111 Ca -0.14 -0.35 -0.38 0.00 -0.05 0.00 0.00 57.45 56.52 2cpm n PHE 111 Cb 1.00 -0.25 -0.02 0.00 -0.94 0.00 0.00 39.48 39.26 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 -1.83 3.12 0.55 4.37 0.00 0.23 -4.27 121.76 123.92 2cpm s ALA 112 Ca 0.28 0.95 -0.19 0.00 0.00 0.00 0.00 51.96 53.00 2cpm s ALA 112 Cb 0.20 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 2cpm s ALA 112 CO 0.10 -0.53 1.13 -1.25 0.00 0.00 0.00 175.76 175.21 2cpm s PRO 113 N -2.38 3.32 0.55 0.00 0.04 -1.26 -5.01 135.00 130.26 2cpm s PRO 113 Ca 0.58 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 63.19 2cpm s PRO 113 Cb -0.30 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.25 2cpm s PRO 113 CO 0.37 -0.88 0.81 -1.12 0.04 0.00 0.00 177.00 176.23 2cpm s SER 114 N -1.82 5.55 0.02 6.66 0.01 -1.26 -4.88 113.70 117.98 2cpm s SER 114 Ca 0.72 0.42 -0.09 0.00 1.31 0.00 0.00 55.95 58.31 2cpm s SER 114 Cb -0.24 -1.45 -0.05 0.00 0.21 0.00 0.00 66.02 64.50 2cpm s SER 114 CO 0.28 -1.00 1.14 0.44 0.41 0.00 0.00 173.24 174.51 2cpm h ASP 115 N 0.03 -0.36 -0.68 2.44 3.32 -1.99 0.51 116.42 119.69 2cpm h ASP 115 Ca -0.45 0.03 0.12 0.00 0.02 0.00 0.00 57.03 56.75 2cpm h ASP 115 Cb 1.27 0.12 -0.08 0.00 0.22 0.00 0.00 39.33 40.85 2cpm h ASP 115 CO 0.58 -0.18 0.25 -0.33 -1.72 0.00 0.00 179.24 177.84 2cpm h GLU 116 N -0.27 0.40 -1.00 3.56 5.08 -2.00 -0.40 114.58 119.93 2cpm h GLU 116 Ca -0.02 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2cpm h GLU 116 Cb 0.23 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 2cpm h GLU 116 CO -0.01 0.26 0.67 0.93 -1.00 0.00 0.00 179.01 179.85 2cpm h GLU 117 N 0.41 1.31 -0.16 2.33 4.39 -1.92 -2.35 114.58 118.60 2cpm h GLU 117 Ca 0.36 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 60.00 2cpm h GLU 117 Cb 0.50 -0.30 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2cpm h GLU 117 CO -0.37 0.87 0.03 -0.07 -1.16 0.00 0.00 179.01 178.31 2cpm h LEU 118 N 1.35 0.01 -0.54 1.33 3.38 0.17 0.46 115.31 121.47 2cpm h LEU 118 Ca 0.37 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.41 2cpm h LEU 118 Cb -0.13 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2cpm h LEU 118 CO -0.09 0.03 0.29 -0.78 0.09 0.00 0.00 178.44 177.98 2cpm h ASP 119 N 0.09 0.44 -0.10 -0.43 1.82 -1.08 -2.10 116.42 115.07 2cpm h ASP 119 Ca 0.07 0.02 -0.13 0.00 -0.39 0.00 0.00 57.03 56.60 2cpm h ASP 119 Cb 0.06 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 2cpm h ASP 119 CO -0.09 0.30 -0.39 0.77 -1.61 0.00 0.00 179.24 178.22 2cpm h SER 120 N 0.57 0.65 -0.34 2.28 4.64 -1.06 -2.34 113.55 117.95 2cpm h SER 120 Ca 0.23 -0.29 0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2cpm h SER 120 Cb 0.11 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 2cpm h SER 120 CO -0.14 0.97 0.09 1.88 -0.87 0.00 0.00 176.83 178.76 2cpm h TYR 121 N 0.51 0.16 -0.31 4.77 0.05 0.55 -0.22 116.97 122.48 2cpm h TYR 121 Ca 0.05 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.76 2cpm h TYR 121 Cb 0.90 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.62 2cpm h TYR 121 CO 0.04 0.05 -0.15 0.00 -1.05 0.00 0.00 178.16 177.05 2cpm h ARG 122 N 0.22 0.65 -0.06 4.88 3.08 -1.36 -2.86 114.38 118.92 2cpm h ARG 122 Ca 0.16 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 59.94 2cpm h ARG 122 Cb 0.16 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 2cpm h ARG 122 CO -0.19 0.87 0.05 0.00 -1.07 0.00 0.00 179.97 179.63 2cpm h ARG 123 N 0.41 0.00 -0.97 0.04 2.47 -1.04 -2.80 114.38 112.49 2cpm h ARG 123 Ca 0.07 0.00 0.35 0.00 -1.26 0.00 0.00 59.98 59.14 2cpm h ARG 123 Cb 0.67 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 28.82 2cpm h ARG 123 CO 0.04 0.00 0.34 0.41 0.56 0.00 0.00 179.97 181.32 2cpm n GLY 124 N -1.46 -0.95 3.49 0.04 0.00 -0.13 -4.17 105.19 102.01 2cpm n GLY 124 Ca -0.02 0.85 -0.33 0.00 0.00 0.00 0.00 46.02 46.52 2cpm n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cpm s SER 125 N -4.71 4.42 0.00 1.61 0.15 -1.06 -5.00 113.70 109.11 2cpm s SER 125 Ca -0.10 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2cpm s SER 125 Cb 0.31 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2cpm s SER 125 CO 0.76 0.27 0.00 0.61 1.20 0.00 0.00 173.24 176.07 2cpm n GLY 126 N 2.86 1.85 3.59 9.45 0.00 -1.26 -4.96 105.19 116.71 2cpm n GLY 126 Ca -0.18 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 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 -4.90 3.20 0.65 1.61 0.04 -1.26 -4.97 135.00 129.36 2cpm s PRO 127 Ca 0.00 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 2cpm s PRO 127 Cb 0.00 -4.21 -0.02 0.00 0.04 0.00 0.00 34.50 30.31 2cpm s PRO 127 CO 0.00 -2.03 1.05 -1.12 0.04 0.00 0.00 177.00 174.94 2cpm s SER 128 N 6.20 5.91 0.18 6.66 0.01 -1.26 -5.09 113.70 126.31 2cpm s SER 128 Ca 0.73 1.42 0.02 0.00 1.31 0.00 0.00 55.95 59.43 2cpm s SER 128 Cb -0.18 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 2cpm s SER 128 CO 0.30 -1.08 0.01 -0.94 0.41 0.00 0.00 173.24 171.94 2cpm s SER 129 N -4.12 1.21 0.00 2.44 1.04 -1.26 -5.29 113.70 107.72 2cpm s SER 129 Ca 0.56 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2cpm s SER 129 Cb -0.12 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2cpm s SER 129 CO 0.54 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.79