#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpm n SER 38 N 0.00 -4.17 -3.38 1.61 3.41 -1.26 -1.01 113.62 108.82 2cpm n SER 38 Ca 0.00 -0.82 -0.21 0.00 -0.26 0.00 0.00 58.87 57.58 2cpm n SER 38 Cb 0.00 -3.72 0.08 0.00 -0.26 0.00 0.00 64.21 60.31 2cpm n SER 38 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cpm n SER 39 N -2.83 -4.90 0.00 4.04 7.64 -1.26 -4.98 113.62 111.32 2cpm n SER 39 Ca 0.01 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.36 2cpm n SER 39 Cb 0.54 -4.80 0.00 0.00 -1.01 0.00 0.00 64.21 58.94 2cpm n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cpm n GLY 40 N -1.69 1.21 3.33 0.23 0.00 -0.18 -5.09 105.19 103.01 2cpm n GLY 40 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 0.37 4.27 0.46 1.61 1.04 -1.26 -4.87 113.70 115.33 2cpm s SER 41 Ca 0.00 -0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.13 2cpm s SER 41 Cb 0.00 -1.72 -0.02 0.00 0.10 0.00 0.00 66.02 64.39 2cpm s SER 41 CO 0.00 0.03 0.26 -0.94 0.98 0.00 0.00 173.24 173.57 2cpm s SER 42 N 1.18 4.55 -0.41 7.02 1.04 -1.26 -4.52 113.70 121.30 2cpm s SER 42 Ca 0.02 -1.14 -0.38 0.00 0.48 0.00 0.00 55.95 54.93 2cpm s SER 42 Cb -0.14 -0.12 -0.16 0.00 0.10 0.00 0.00 66.02 65.69 2cpm s SER 42 CO -0.01 -0.76 1.37 0.61 0.98 0.00 0.00 173.24 175.43 2cpm n GLY 43 N -1.45 0.12 2.85 7.32 0.00 -1.26 -4.92 105.19 107.85 2cpm n GLY 43 Ca -0.02 0.84 -0.15 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 2.79 0.17 0.27 1.61 -0.21 -1.26 -5.02 119.66 118.01 2cpm s GLN 44 Ca 0.88 0.02 0.12 0.00 0.02 0.00 0.00 55.36 56.40 2cpm s GLN 44 Cb -1.23 -0.27 0.90 0.00 1.00 0.00 0.00 33.01 33.41 2cpm s GLN 44 CO 0.66 -0.05 1.21 1.63 -2.12 0.00 0.00 175.29 176.61 2cpm n LYS 45 N 3.58 -0.05 -0.26 2.91 5.02 -1.26 -0.75 118.16 127.35 2cpm n LYS 45 Ca -0.20 1.08 -0.07 0.00 -2.02 0.00 0.00 58.31 57.11 2cpm n LYS 45 Cb 0.55 -1.88 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 2cpm n LYS 45 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2cpm n VAL 46 N -4.83 -0.43 -0.06 -0.18 0.31 -1.26 -0.16 118.33 111.72 2cpm n VAL 46 Ca 0.26 1.61 -0.14 0.00 -0.01 0.00 0.00 64.34 66.05 2cpm n VAL 46 Cb 0.87 -2.00 -0.10 0.00 -0.91 0.00 0.00 33.84 31.71 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 -0.48 -0.02 5.55 4.39 -1.36 -1.40 114.58 121.25 2cpm h GLU 47 Ca 0.10 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.86 2cpm h GLU 47 Cb 0.26 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.96 2cpm h GLU 47 CO -0.59 -0.32 -0.43 0.35 -1.16 0.00 0.00 179.01 176.86 2cpm h PHE 48 N -0.50 -1.22 -0.78 4.33 3.57 -0.68 -2.41 116.94 119.25 2cpm h PHE 48 Ca 0.05 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.67 2cpm h PHE 48 Cb 0.64 0.54 -0.10 0.00 2.79 0.00 0.00 35.95 39.82 2cpm h PHE 48 CO -0.64 -0.50 -0.56 -0.09 -2.23 0.00 0.00 178.31 174.29 2cpm h ARG 49 N -0.57 -0.12 -0.56 1.11 2.43 -0.16 -0.25 114.38 116.26 2cpm h ARG 49 Ca 0.05 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.32 2cpm h ARG 49 Cb 0.65 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 30.13 2cpm h ARG 49 CO -0.33 -0.08 -0.42 0.87 -1.51 0.00 0.00 179.97 178.50 2cpm h LYS 50 N -0.12 -0.22 -0.25 0.20 1.57 -0.92 -1.00 116.57 115.83 2cpm h LYS 50 Ca 0.13 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2cpm h LYS 50 Cb 0.45 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.74 2cpm h LYS 50 CO -0.80 -0.15 -0.49 -0.09 -0.57 0.00 0.00 179.45 177.36 2cpm h ARG 51 N -0.23 -0.45 -0.78 3.15 2.43 -0.61 -0.57 114.38 117.32 2cpm h ARG 51 Ca 0.18 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.56 2cpm h ARG 51 Cb 0.56 0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 30.10 2cpm h ARG 51 CO -0.68 -0.30 0.19 0.52 -1.51 0.00 0.00 179.97 178.19 2cpm h MET 52 N -0.46 0.24 -0.73 0.20 2.86 -0.27 0.16 114.93 116.93 2cpm h MET 52 Ca 0.08 -0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.81 2cpm h MET 52 Cb 0.63 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.16 2cpm h MET 52 CO -0.49 0.16 0.35 0.93 1.06 0.00 0.00 176.91 178.92 2cpm h GLU 53 N 0.25 0.56 -0.06 1.72 5.08 0.14 0.26 114.58 122.53 2cpm h GLU 53 Ca 0.46 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.77 2cpm h GLU 53 Cb 0.82 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2cpm h GLU 53 CO -0.56 0.37 -0.03 -0.22 -1.00 0.00 0.00 179.01 177.57 2cpm h LYS 54 N 0.58 0.12 0.50 2.33 1.63 -0.12 -2.39 116.57 119.22 2cpm h LYS 54 Ca 0.37 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.10 2cpm h LYS 54 Cb 0.44 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 2cpm h LYS 54 CO -0.30 0.51 -0.37 0.93 -3.45 0.00 0.00 179.45 176.77 2cpm h GLU 55 N -0.27 -0.81 -0.16 1.90 4.39 -0.52 -1.75 114.58 117.35 2cpm h GLU 55 Ca 0.01 0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.81 2cpm h GLU 55 Cb 0.48 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 29.24 2cpm h GLU 55 CO 0.01 -0.54 -0.42 0.28 -1.16 0.00 0.00 179.01 177.17 2cpm h VAL 56 N -0.84 0.14 -0.27 3.13 2.07 -0.58 -1.88 116.25 118.02 2cpm h VAL 56 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.51 2cpm h VAL 56 Cb 0.71 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 2cpm h VAL 56 CO 0.02 0.00 -0.51 -1.28 0.02 0.00 0.00 177.57 175.81 2cpm h SER 57 N -0.48 -1.66 -0.93 0.57 0.87 -1.34 0.51 113.55 111.10 2cpm h SER 57 Ca 0.08 0.22 0.26 0.00 -1.23 0.00 0.00 61.79 61.12 2cpm h SER 57 Cb 0.62 0.67 -0.14 0.00 -0.44 0.00 0.00 62.40 63.11 2cpm h SER 57 CO -0.42 -0.43 0.38 -0.78 -0.53 0.00 0.00 176.83 175.06 2cpm h ASP 58 N -0.47 0.24 -0.68 6.23 1.82 -0.90 0.47 116.42 123.13 2cpm h ASP 58 Ca 0.07 0.19 -0.08 0.00 -0.39 0.00 0.00 57.03 56.82 2cpm h ASP 58 Cb 0.63 0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.82 2cpm h ASP 58 CO -0.51 -0.12 0.12 0.15 -1.61 0.00 0.00 179.24 177.27 2cpm h PHE 59 N 0.29 1.19 -0.31 0.28 3.04 -0.16 -2.14 116.94 119.13 2cpm h PHE 59 Ca 0.62 -0.16 0.05 0.00 3.98 0.00 0.00 57.97 62.46 2cpm h PHE 59 Cb 1.31 -0.33 -0.04 0.00 2.56 0.00 0.00 35.95 39.45 2cpm h PHE 59 CO -0.15 0.99 0.05 0.82 -2.02 0.00 0.00 178.31 178.00 2cpm h ILE 60 N 1.06 0.84 -0.65 1.41 2.04 0.14 -2.26 117.51 120.09 2cpm h ILE 60 Ca 0.21 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.94 2cpm h ILE 60 Cb 0.43 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2cpm h ILE 60 CO 0.01 0.03 0.11 1.56 0.00 0.00 0.00 178.15 179.86 2cpm h GLN 61 N 0.16 1.07 -5.96 2.37 4.20 -1.29 -3.41 115.11 112.25 2cpm h GLN 61 Ca 0.15 -0.28 -0.54 0.00 0.06 0.00 0.00 58.65 58.04 2cpm h GLN 61 Cb 0.17 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2cpm h GLN 61 CO -0.20 0.98 1.46 -0.51 -0.67 0.00 0.00 178.83 179.88 2cpm s ASP 62 N -6.52 5.25 -0.04 1.46 1.11 -0.82 -4.86 116.67 112.26 2cpm s ASP 62 Ca -0.11 1.31 -0.22 0.00 0.18 0.00 0.00 52.55 53.70 2cpm s ASP 62 Cb 0.15 -2.51 -0.16 0.00 1.07 0.00 0.00 42.92 41.46 2cpm s ASP 62 CO 0.84 -2.21 0.97 0.28 1.18 0.00 0.00 175.17 176.23 2cpm h SER 63 N 15.76 -0.20 -1.05 0.27 0.02 -1.81 -3.23 113.55 123.30 2cpm h SER 63 Ca -0.32 -0.34 0.38 0.00 -0.84 0.00 0.00 61.79 60.66 2cpm h SER 63 Cb 1.22 0.05 -0.16 0.00 0.14 0.00 0.00 62.40 63.65 2cpm h SER 63 CO 1.07 0.32 0.61 1.23 -1.14 0.00 0.00 176.83 178.91 2cpm h GLY 64 N -0.81 2.02 -5.00 -3.77 0.00 -1.95 -3.37 103.07 90.19 2cpm h GLY 64 Ca -0.02 -0.19 -0.56 0.00 0.00 0.00 0.00 47.33 46.56 2cpm h GLY 64 CO 0.04 -0.59 0.30 1.20 0.00 0.00 0.00 176.54 177.49 2cpm s GLN 65 N -5.55 4.41 -0.06 4.80 1.11 -1.22 -4.92 119.66 118.22 2cpm s GLN 65 Ca -0.09 1.09 0.11 0.00 0.01 0.00 0.00 55.36 56.48 2cpm s GLN 65 Cb 0.31 -3.51 -0.16 0.00 -1.01 0.00 0.00 33.01 28.65 2cpm s GLN 65 CO 0.79 -0.14 0.15 0.44 0.01 0.00 0.00 175.29 176.54 2cpm n ILE 66 N 4.23 0.38 -4.00 1.08 -5.35 -1.26 -4.89 119.36 109.54 2cpm n ILE 66 Ca 0.03 -0.38 -0.08 0.00 -0.27 0.00 0.00 62.75 62.06 2cpm n ILE 66 Cb 0.50 -0.24 -0.09 0.00 -1.74 0.00 0.00 39.64 38.07 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 -2.56 0.63 -0.06 6.28 -2.85 -1.26 -2.61 119.74 117.32 2cpm s LYS 67 Ca -0.05 -1.03 -0.04 0.00 -1.00 0.00 0.00 55.97 53.84 2cpm s LYS 67 Cb 0.06 0.23 0.02 0.00 -2.06 0.00 0.00 37.83 36.08 2cpm s LYS 67 CO 0.48 -0.14 0.14 0.21 0.10 0.00 0.00 175.35 176.14 2cpm s LYS 68 N -3.47 0.15 -0.20 1.78 2.20 -0.85 -5.01 119.74 114.33 2cpm s LYS 68 Ca 0.03 0.24 -0.09 0.00 -0.36 0.00 0.00 55.97 55.78 2cpm s LYS 68 Cb 0.04 0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.33 2cpm s LYS 68 CO -0.08 -0.06 0.12 0.21 -0.36 0.00 0.00 175.35 175.18 2cpm s LYS 69 N 0.35 4.11 -0.27 4.03 2.20 -1.26 -1.69 119.74 127.20 2cpm s LYS 69 Ca -0.02 -0.26 -0.05 0.00 -0.36 0.00 0.00 55.97 55.27 2cpm s LYS 69 Cb -0.04 -3.39 0.01 0.00 -1.51 0.00 0.00 37.83 32.90 2cpm s LYS 69 CO -0.01 0.24 0.04 -0.06 -0.36 0.00 0.00 175.35 175.20 2cpm s PHE 70 N 0.51 3.10 0.33 4.03 0.08 0.66 -5.02 117.98 121.67 2cpm s PHE 70 Ca 0.07 -1.03 -0.29 0.00 0.12 0.00 0.00 56.93 55.79 2cpm s PHE 70 Cb -0.12 -2.20 -0.11 0.00 -0.57 0.00 0.00 43.02 40.03 2cpm s PHE 70 CO -0.00 -0.58 1.45 -1.14 -0.10 0.00 0.00 175.22 174.84 2cpm s GLN 71 N 1.47 4.21 -1.09 0.44 -0.44 -1.26 -2.27 119.66 120.72 2cpm s GLN 71 Ca 0.03 2.42 -0.23 0.00 -2.50 0.00 0.00 55.36 55.08 2cpm s GLN 71 Cb -0.17 -3.03 -0.07 0.00 -1.64 0.00 0.00 33.01 28.10 2cpm s GLN 71 CO 0.01 -0.43 1.94 -1.25 0.50 0.00 0.00 175.29 176.05 2cpm s PRO 72 N -1.41 2.52 0.04 1.67 0.04 -1.26 -4.73 135.00 131.86 2cpm s PRO 72 Ca 0.55 -0.86 -0.17 0.00 0.04 0.00 0.00 61.00 60.55 2cpm s PRO 72 Cb -0.44 -5.18 -0.23 0.00 0.04 0.00 0.00 34.50 28.69 2cpm s PRO 72 CO 0.54 -3.77 1.14 0.52 0.04 0.00 0.00 177.00 175.47 2cpm h MET 73 N 10.26 0.54 -5.07 4.56 2.86 -1.93 -3.47 114.93 122.67 2cpm h MET 73 Ca 0.18 -0.58 -0.58 0.00 -2.06 0.00 0.00 59.70 56.66 2cpm h MET 73 Cb 0.96 0.16 -0.13 0.00 0.06 0.00 0.00 31.60 32.65 2cpm h MET 73 CO 1.22 1.20 -0.52 -0.80 1.06 0.00 0.00 176.91 179.08 2cpm s ASN 74 N -6.99 3.02 0.07 1.22 -0.87 -1.26 -5.06 114.94 105.08 2cpm s ASN 74 Ca -0.12 -1.67 0.20 0.00 -1.57 0.00 0.00 52.86 49.71 2cpm s ASN 74 Cb 0.05 0.49 -0.14 0.00 -0.02 0.00 0.00 41.25 41.63 2cpm s ASN 74 CO 0.87 -0.91 0.77 0.29 -2.57 0.00 0.00 177.10 175.54 2cpm n LYS 75 N -0.97 0.63 -0.07 -0.60 4.76 -1.26 -4.25 118.16 116.40 2cpm n LYS 75 Ca -0.08 0.07 -0.10 0.00 -2.87 0.00 0.00 58.31 55.33 2cpm n LYS 75 Cb 0.65 -1.73 -0.15 0.00 -1.84 0.00 0.00 35.03 31.97 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 -2.65 1.48 -0.40 -0.18 2.08 -1.26 -4.28 119.36 114.15 2cpm n ILE 76 Ca -0.06 -0.83 0.35 0.00 0.56 0.00 0.00 62.75 62.77 2cpm n ILE 76 Cb 0.69 -0.71 0.54 0.00 -0.75 0.00 0.00 39.64 39.42 2cpm n ILE 76 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 2cpm n GLU 77 N -2.88 0.01 0.18 0.38 0.28 -1.26 0.88 120.64 118.23 2cpm n GLU 77 Ca -0.27 0.94 -0.15 0.00 -0.16 0.00 0.00 57.16 57.52 2cpm n GLU 77 Cb 1.12 -2.26 -0.08 0.00 1.43 0.00 0.00 31.44 31.65 2cpm n GLU 77 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 2cpm h ARG 78 N 0.00 -0.39 -0.24 3.44 9.65 -1.83 0.28 114.38 125.29 2cpm h ARG 78 Ca 0.62 0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 59.44 2cpm h ARG 78 Cb 2.98 0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 31.64 2cpm h ARG 78 CO -0.01 -0.23 -0.20 0.77 2.80 0.00 0.00 179.97 183.10 2cpm h SER 79 N -0.44 0.59 0.89 -3.80 0.02 0.20 -2.06 113.55 108.94 2cpm h SER 79 Ca -0.04 -0.46 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 2cpm h SER 79 Cb 0.34 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.72 2cpm h SER 79 CO 0.07 0.92 -0.43 0.40 -1.14 0.00 0.00 176.83 176.65 2cpm h ILE 80 N 0.27 0.00 -0.77 3.27 2.04 -1.40 -2.24 117.51 118.68 2cpm h ILE 80 Ca 0.04 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.04 2cpm h ILE 80 Cb 0.74 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.73 2cpm h ILE 80 CO 0.05 0.00 0.33 0.25 0.00 0.00 0.00 178.15 178.78 2cpm h LEU 81 N -1.20 0.34 -0.45 1.44 5.85 -0.54 -1.18 115.31 119.57 2cpm h LEU 81 Ca -0.12 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.79 2cpm h LEU 81 Cb 0.92 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 2cpm h LEU 81 CO 0.20 0.14 -0.02 0.45 -0.34 0.00 0.00 178.44 178.87 2cpm h HIS 82 N 0.49 -0.07 -0.51 1.25 3.86 -1.24 -0.65 115.15 118.29 2cpm h HIS 82 Ca 0.42 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.69 2cpm h HIS 82 Cb 0.61 0.10 -0.04 0.00 1.06 0.00 0.00 27.41 29.14 2cpm h HIS 82 CO -0.15 -0.12 0.29 0.22 0.86 0.00 0.00 177.93 179.04 2cpm h ASP 83 N 0.09 0.46 -0.94 2.45 1.82 -0.61 -0.47 116.42 119.21 2cpm h ASP 83 Ca 0.23 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.91 2cpm h ASP 83 Cb 0.34 -0.08 -0.05 0.00 0.68 0.00 0.00 39.33 40.21 2cpm h ASP 83 CO -0.39 0.32 0.61 0.58 -1.61 0.00 0.00 179.24 178.75 2cpm h VAL 84 N 0.57 1.16 0.41 2.25 2.07 -0.77 -1.95 116.25 119.99 2cpm h VAL 84 Ca 0.21 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2cpm h VAL 84 Cb 0.06 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.70 2cpm h VAL 84 CO -0.11 0.22 -0.20 0.58 0.02 0.00 0.00 177.57 178.08 2cpm h VAL 85 N 1.19 0.00 -1.27 2.57 2.07 -0.54 -1.94 116.25 118.33 2cpm h VAL 85 Ca 0.37 -0.27 0.40 0.00 0.82 0.00 0.00 66.70 68.03 2cpm h VAL 85 Cb -0.00 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.64 2cpm h VAL 85 CO -0.12 0.00 0.81 1.05 0.02 0.00 0.00 177.57 179.34 2cpm h GLU 86 N -0.82 0.13 -0.21 1.57 4.11 -1.08 0.82 114.58 119.10 2cpm h GLU 86 Ca -0.06 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 59.19 2cpm h GLU 86 Cb 0.42 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2cpm h GLU 86 CO 0.09 0.09 -0.54 0.28 0.07 0.00 0.00 179.01 179.00 2cpm h VAL 87 N 0.14 1.30 -0.04 -1.06 2.07 -1.32 -3.14 116.25 114.19 2cpm h VAL 87 Ca 0.78 -1.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.47 2cpm h VAL 87 Cb 2.38 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 33.99 2cpm h VAL 87 CO -0.40 0.56 -0.31 0.00 0.02 0.00 0.00 177.57 177.44 2cpm h ALA 88 N 0.60 1.41 0.00 1.67 0.00 0.14 -3.47 119.26 119.61 2cpm h ALA 88 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2cpm h ALA 88 Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2cpm h ALA 88 CO 0.12 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2cpm n GLY 89 N -0.57 1.25 3.43 0.00 0.00 0.06 -5.10 105.19 104.27 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 2.37 0.09 0.99 1.43 -1.16 -4.71 118.68 117.69 2cpm s LEU 90 Ca 0.00 -1.26 -0.06 0.00 -1.03 0.00 0.00 54.13 51.78 2cpm s LEU 90 Cb 0.00 -0.52 -0.05 0.00 0.03 0.00 0.00 46.19 45.65 2cpm s LEU 90 CO 0.00 -0.45 0.34 -0.89 0.23 0.00 0.00 176.35 175.58 2cpm s THR 91 N -3.14 5.20 0.01 5.49 2.01 0.04 -4.09 115.64 121.16 2cpm s THR 91 Ca 0.32 0.11 -0.13 0.00 0.31 0.00 0.00 61.69 62.30 2cpm s THR 91 Cb 0.06 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.97 2cpm s THR 91 CO 0.13 0.18 0.27 -0.44 -0.69 0.00 0.00 174.62 174.07 2cpm s SER 92 N -2.13 -0.12 0.22 3.53 0.01 -1.26 0.07 113.70 114.02 2cpm s SER 92 Ca 0.36 -0.06 -0.16 0.00 1.31 0.00 0.00 55.95 57.40 2cpm s SER 92 Cb -0.13 0.30 0.01 0.00 0.21 0.00 0.00 66.02 66.42 2cpm s SER 92 CO 0.22 -0.48 0.51 -0.36 0.41 0.00 0.00 173.24 173.54 2cpm s PHE 93 N -1.71 0.09 -0.32 2.43 0.08 -0.71 -4.99 117.98 112.85 2cpm s PHE 93 Ca -0.11 -0.46 -0.08 0.00 0.12 0.00 0.00 56.93 56.40 2cpm s PHE 93 Cb -0.04 0.33 0.01 0.00 -0.57 0.00 0.00 43.02 42.74 2cpm s PHE 93 CO 0.02 -0.98 0.13 -1.54 -0.10 0.00 0.00 175.22 172.75 2cpm s SER 94 N -2.94 5.38 -0.06 1.36 1.04 -1.26 -1.99 113.70 115.23 2cpm s SER 94 Ca 0.15 -0.75 -0.00 0.00 0.48 0.00 0.00 55.95 55.82 2cpm s SER 94 Cb -0.01 -1.94 0.02 0.00 0.10 0.00 0.00 66.02 64.19 2cpm s SER 94 CO 0.03 -0.24 -0.02 -0.36 0.98 0.00 0.00 173.24 173.63 2cpm s PHE 95 N 1.53 0.72 0.05 5.02 0.08 -0.83 -5.01 117.98 119.53 2cpm s PHE 95 Ca 0.03 -0.20 0.01 0.00 0.12 0.00 0.00 56.93 56.88 2cpm s PHE 95 Cb -0.18 -0.73 -0.03 0.00 -0.57 0.00 0.00 43.02 41.51 2cpm s PHE 95 CO 0.04 -0.26 -0.05 0.20 -0.10 0.00 0.00 175.22 175.05 2cpm s GLY 96 N 1.43 0.46 -0.05 4.36 0.00 -1.26 -2.84 107.32 109.41 2cpm s GLY 96 Ca -0.03 -0.90 -0.19 0.00 0.00 0.00 0.00 44.72 43.60 2cpm s GLY 96 CO -0.03 -0.98 0.79 0.83 0.00 0.00 0.00 173.10 173.71 2cpm h GLU 97 N 4.00 0.32 -6.44 2.90 4.39 -1.97 -3.46 114.58 114.32 2cpm h GLU 97 Ca -0.34 -0.55 -0.70 0.00 0.34 0.00 0.00 59.36 58.11 2cpm h GLU 97 Cb 1.19 0.21 -0.29 0.00 -0.10 0.00 0.00 28.75 29.75 2cpm h GLU 97 CO 0.50 1.26 -0.86 0.34 -1.16 0.00 0.00 179.01 179.10 2cpm s ASP 98 N -7.10 3.29 0.31 1.42 2.15 -1.18 -5.02 116.67 110.54 2cpm s ASP 98 Ca -0.15 -0.41 0.07 0.00 0.43 0.00 0.00 52.55 52.49 2cpm s ASP 98 Cb 0.03 -0.55 0.87 0.00 -0.30 0.00 0.00 42.92 42.97 2cpm s ASP 98 CO 0.83 0.31 1.64 0.44 -0.17 0.00 0.00 175.17 178.22 2cpm h ASP 99 N 5.56 0.12 -0.41 -0.34 3.32 -2.04 0.41 116.42 123.04 2cpm h ASP 99 Ca -0.42 0.21 -0.09 0.00 0.02 0.00 0.00 57.03 56.75 2cpm h ASP 99 Cb 1.14 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 2cpm h ASP 99 CO 0.48 -0.19 -0.11 0.44 -1.72 0.00 0.00 179.24 178.13 2cpm h ASP 100 N 0.20 0.81 -3.51 6.45 3.32 -2.00 -3.40 116.42 118.29 2cpm h ASP 100 Ca 0.63 -0.37 -0.71 0.00 0.02 0.00 0.00 57.03 56.60 2cpm h ASP 100 Cb 1.37 -0.22 -0.20 0.00 0.22 0.00 0.00 39.33 40.50 2cpm h ASP 100 CO -0.68 0.99 -0.37 0.00 -1.72 0.00 0.00 179.24 177.46 2cpm s ARG 102 N 1.80 1.46 0.41 0.00 6.06 -1.25 -3.09 118.95 124.34 2cpm s ARG 102 Ca 0.07 -0.99 0.03 0.00 -2.50 0.00 0.00 55.73 52.34 2cpm s ARG 102 Cb -0.18 -2.54 -0.00 0.00 0.06 0.00 0.00 34.95 32.29 2cpm s ARG 102 CO 0.11 -0.65 0.60 1.52 -2.50 0.00 0.00 175.30 174.38 2cpm s TYR 103 N 1.43 3.12 -0.08 5.12 -0.85 -1.13 -4.56 117.35 120.40 2cpm s TYR 103 Ca -0.03 -0.00 0.04 0.00 -0.52 0.00 0.00 57.07 56.55 2cpm s TYR 103 Cb -0.19 -2.24 -0.02 0.00 0.38 0.00 0.00 41.96 39.90 2cpm s TYR 103 CO -0.08 -0.28 -0.19 0.54 -1.52 0.00 0.00 175.55 174.02 2cpm s VAL 104 N -2.42 2.58 0.31 -3.49 0.11 -0.96 -1.96 120.40 114.57 2cpm s VAL 104 Ca 0.48 -0.87 0.10 0.00 -2.93 0.00 0.00 61.98 58.76 2cpm s VAL 104 Cb -0.10 -2.00 -0.05 0.00 -1.53 0.00 0.00 36.38 32.70 2cpm s VAL 104 CO 0.35 0.56 -0.07 -0.04 -3.33 0.00 0.00 175.10 172.57 2cpm s MET 105 N -0.16 1.95 0.01 1.54 -1.94 -0.84 -0.24 119.30 119.61 2cpm s MET 105 Ca -0.02 -1.74 0.01 0.00 -1.71 0.00 0.00 55.69 52.23 2cpm s MET 105 Cb -0.14 -1.88 -0.01 0.00 2.01 0.00 0.00 34.83 34.82 2cpm s MET 105 CO 0.04 0.23 -0.03 0.96 -0.01 0.00 0.00 175.02 176.20 2cpm s ILE 106 N -2.50 0.24 0.26 2.53 -4.36 -0.68 -1.74 121.20 114.95 2cpm s ILE 106 Ca 0.32 -0.38 0.07 0.00 -0.26 0.00 0.00 60.65 60.40 2cpm s ILE 106 Cb -0.02 -0.25 -0.05 0.00 1.25 0.00 0.00 42.46 43.38 2cpm s ILE 106 CO 0.18 -0.10 -0.07 -0.36 0.24 0.00 0.00 174.94 174.82 2cpm s PHE 107 N -0.48 1.87 0.70 1.37 0.40 0.11 -2.02 117.98 119.94 2cpm s PHE 107 Ca -0.03 -0.68 -0.04 0.00 -0.60 0.00 0.00 56.93 55.57 2cpm s PHE 107 Cb -0.04 -1.02 0.09 0.00 0.51 0.00 0.00 43.02 42.56 2cpm s PHE 107 CO -0.00 0.28 0.98 0.15 0.70 0.00 0.00 175.22 177.33 2cpm s LYS 108 N -3.72 1.97 0.04 0.44 1.02 -1.07 -0.78 119.74 117.64 2cpm s LYS 108 Ca 0.28 -0.64 -0.26 0.00 0.02 0.00 0.00 55.97 55.37 2cpm s LYS 108 Cb 0.03 -2.26 -0.17 0.00 -0.52 0.00 0.00 37.83 34.91 2cpm s LYS 108 CO 0.11 -1.30 1.48 -0.22 -0.92 0.00 0.00 175.35 174.50 2cpm h LYS 109 N -0.53 -0.27 -0.02 1.68 3.64 -1.93 0.29 116.57 119.43 2cpm h LYS 109 Ca -0.42 0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 58.72 2cpm h LYS 109 Cb 1.29 0.06 0.02 0.00 -0.41 0.00 0.00 32.23 33.19 2cpm h LYS 109 CO 0.50 -0.04 -1.02 1.49 -2.27 0.00 0.00 179.45 178.12 2cpm h GLU 110 N -0.47 0.71 -0.73 1.90 4.81 -1.99 -3.13 114.58 115.69 2cpm h GLU 110 Ca -0.03 -0.74 0.00 0.00 -0.13 0.00 0.00 59.36 58.46 2cpm h GLU 110 Cb 0.36 0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2cpm h GLU 110 CO 0.05 1.32 0.00 1.19 -0.73 0.00 0.00 179.01 180.83 2cpm n PHE 111 N -3.86 0.71 -2.31 0.92 3.72 -1.22 -4.92 117.46 110.50 2cpm n PHE 111 Ca -0.11 -0.26 -0.38 0.00 -0.05 0.00 0.00 57.45 56.66 2cpm n PHE 111 Cb 0.87 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 39.18 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 -1.66 3.13 0.77 4.37 0.00 0.10 -4.25 121.76 124.22 2cpm s ALA 112 Ca 0.20 0.95 -0.10 0.00 0.00 0.00 0.00 51.96 53.01 2cpm s ALA 112 Cb 0.15 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.95 2cpm s ALA 112 CO 0.07 -0.52 1.09 -1.25 0.00 0.00 0.00 175.76 175.15 2cpm s PRO 113 N -2.35 2.25 0.36 0.00 0.04 -1.26 -5.02 135.00 129.01 2cpm s PRO 113 Ca 0.58 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.80 2cpm s PRO 113 Cb -0.30 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 2cpm s PRO 113 CO 0.37 -1.65 0.56 -1.12 0.04 0.00 0.00 177.00 175.20 2cpm s SER 114 N -3.39 6.20 0.02 6.66 0.01 -1.26 -4.92 113.70 117.01 2cpm s SER 114 Ca 0.61 0.37 -0.09 0.00 1.31 0.00 0.00 55.95 58.15 2cpm s SER 114 Cb -0.17 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 2cpm s SER 114 CO 0.56 -0.36 1.15 0.44 0.41 0.00 0.00 173.24 175.43 2cpm h ASP 115 N 0.71 -0.38 -0.59 2.44 3.32 -1.99 0.42 116.42 120.35 2cpm h ASP 115 Ca -0.49 0.03 0.10 0.00 0.02 0.00 0.00 57.03 56.70 2cpm h ASP 115 Cb 1.23 0.13 -0.08 0.00 0.22 0.00 0.00 39.33 40.83 2cpm h ASP 115 CO 0.60 -0.17 0.16 -0.33 -1.72 0.00 0.00 179.24 177.78 2cpm h GLU 116 N -0.25 0.30 -0.80 3.56 4.39 -2.00 -0.92 114.58 118.85 2cpm h GLU 116 Ca -0.01 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.73 2cpm h GLU 116 Cb 0.23 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 2cpm h GLU 116 CO -0.03 0.20 0.49 0.93 -1.16 0.00 0.00 179.01 179.44 2cpm h GLU 117 N 0.31 0.86 -0.04 2.33 5.08 -1.92 -2.26 114.58 118.95 2cpm h GLU 117 Ca 0.31 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2cpm h GLU 117 Cb 0.42 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2cpm h GLU 117 CO -0.36 0.57 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.05 2cpm h LEU 118 N 0.89 -0.31 -0.80 1.33 3.38 0.12 0.33 115.31 120.25 2cpm h LEU 118 Ca 0.35 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.47 2cpm h LEU 118 Cb 0.17 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 2cpm h LEU 118 CO -0.17 -0.15 0.44 -0.78 0.09 0.00 0.00 178.44 177.87 2cpm h ASP 119 N -0.16 0.61 -0.31 -0.43 3.58 -1.00 -1.88 116.42 116.84 2cpm h ASP 119 Ca 0.05 0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.44 2cpm h ASP 119 Cb 0.23 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2cpm h ASP 119 CO -0.13 0.34 -0.27 0.28 -2.88 0.00 0.00 179.24 176.58 2cpm h SER 120 N 0.73 0.77 -0.61 2.28 0.02 -0.85 -2.31 113.55 113.58 2cpm h SER 120 Ca 0.39 -0.46 0.12 0.00 -0.84 0.00 0.00 61.79 61.00 2cpm h SER 120 Cb 0.39 -0.22 -0.09 0.00 0.14 0.00 0.00 62.40 62.62 2cpm h SER 120 CO -0.26 1.07 0.10 1.88 -1.14 0.00 0.00 176.83 178.48 2cpm h TYR 121 N 0.48 0.15 -0.27 3.45 0.05 0.42 0.20 116.97 121.44 2cpm h TYR 121 Ca 0.05 0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.78 2cpm h TYR 121 Cb 0.84 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.60 2cpm h TYR 121 CO 0.07 -0.06 -0.18 0.00 -1.05 0.00 0.00 178.16 176.93 2cpm h ARG 122 N 0.22 0.61 0.00 4.88 3.08 -1.39 -2.93 114.38 118.84 2cpm h ARG 122 Ca 0.32 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2cpm h ARG 122 Cb 0.49 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 2cpm h ARG 122 CO -0.43 0.87 -0.02 0.00 -1.07 0.00 0.00 179.97 179.32 2cpm h ARG 123 N 0.34 0.00 0.00 0.04 2.47 -0.71 -3.48 114.38 113.03 2cpm h ARG 123 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2cpm h ARG 123 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 2cpm h ARG 123 CO 0.05 0.02 0.00 0.41 0.56 0.00 0.00 179.97 181.01 2cpm n GLY 124 N -1.42 0.13 3.83 0.04 0.00 0.62 -5.05 105.19 103.35 2cpm n GLY 124 Ca -0.03 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 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 -4.00 5.24 0.00 1.61 0.15 -1.26 -4.39 113.70 111.05 2cpm s SER 125 Ca 0.00 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2cpm s SER 125 Cb 0.00 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 2cpm s SER 125 CO 0.00 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2cpm n GLY 126 N -1.32 -1.61 0.00 9.45 0.00 -1.26 -4.82 105.19 105.62 2cpm n GLY 126 Ca -0.03 -1.39 0.07 0.00 0.00 0.00 0.00 46.02 44.67 2cpm n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cpm n PRO 127 N 0.00 0.49 -3.47 1.61 -0.04 -1.26 -4.74 135.00 127.58 2cpm n PRO 127 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2cpm n PRO 127 Cb 0.00 -1.46 -0.05 0.00 -0.04 0.00 0.00 33.50 31.95 2cpm n PRO 127 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cpm s SER 128 N -1.96 6.66 0.27 3.54 0.01 -1.26 -4.98 113.70 115.98 2cpm s SER 128 Ca 0.22 0.88 -0.07 0.00 1.31 0.00 0.00 55.95 58.29 2cpm s SER 128 Cb 0.10 -2.21 0.48 0.00 0.21 0.00 0.00 66.02 64.60 2cpm s SER 128 CO 0.17 0.05 1.59 0.28 0.41 0.00 0.00 173.24 175.73 2cpm h SER 129 N 3.12 -0.68 0.00 2.44 0.02 -1.99 -3.47 113.55 112.98 2cpm h SER 129 Ca -0.48 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2cpm h SER 129 Cb 1.18 0.51 0.00 0.00 0.14 0.00 0.00 62.40 64.23 2cpm h SER 129 CO 0.68 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.69