#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 5.44 0.68 1.61 0.15 -1.26 -5.10 113.70 115.22 2cpm s SER 38 Ca 0.00 0.07 -0.14 0.00 0.70 0.00 0.00 55.95 56.58 2cpm s SER 38 Cb 0.00 -1.50 0.01 0.00 -1.71 0.00 0.00 66.02 62.82 2cpm s SER 38 CO 0.00 0.26 1.10 -0.44 1.20 0.00 0.00 173.24 175.37 2cpm s SER 39 N -1.75 5.02 -1.05 5.45 0.01 -1.26 -4.92 113.70 115.20 2cpm s SER 39 Ca 0.22 1.94 -0.22 0.00 1.31 0.00 0.00 55.95 59.20 2cpm s SER 39 Cb -0.12 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.61 2cpm s SER 39 CO 0.13 -1.69 1.57 -0.83 0.41 0.00 0.00 173.24 172.84 2cpm s GLY 40 N -2.80 1.14 0.62 3.44 0.00 -1.26 -4.98 107.32 103.49 2cpm s GLY 40 Ca 0.65 -2.25 -0.19 0.00 0.00 0.00 0.00 44.72 42.93 2cpm s GLY 40 CO 0.45 2.82 1.29 1.44 0.00 0.00 0.00 173.10 179.10 2cpm n SER 41 N 9.64 2.15 -4.65 1.64 7.64 -1.26 -4.96 113.62 123.81 2cpm n SER 41 Ca 0.37 0.86 -0.40 0.00 1.01 0.00 0.00 58.87 60.71 2cpm n SER 41 Cb 0.50 -1.55 -0.06 0.00 -1.01 0.00 0.00 64.21 62.08 2cpm n SER 41 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cpm s SER 42 N -1.25 6.64 0.00 6.43 1.04 -1.26 -4.60 113.70 120.69 2cpm s SER 42 Ca 0.80 0.78 0.00 0.00 0.48 0.00 0.00 55.95 58.00 2cpm s SER 42 Cb -0.39 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2cpm s SER 42 CO 0.43 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2cpm n GLY 43 N 3.90 0.76 3.65 7.32 0.00 -1.26 -5.10 105.19 114.46 2cpm n GLY 43 Ca -0.02 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 2cpm n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2cpm s GLN 44 N -1.24 0.77 -0.07 1.61 -2.07 -1.26 -4.97 119.66 112.42 2cpm s GLN 44 Ca 0.00 1.32 -0.23 0.00 -1.82 0.00 0.00 55.36 54.63 2cpm s GLN 44 Cb 0.00 -1.71 -0.30 0.00 -1.09 0.00 0.00 33.01 29.90 2cpm s GLN 44 CO 0.00 -2.73 0.86 0.87 -1.32 0.00 0.00 175.29 172.97 2cpm h LYS 45 N -1.93 0.24 -0.92 9.60 1.57 -1.99 -3.35 116.57 119.79 2cpm h LYS 45 Ca -0.47 -0.41 0.16 0.00 -1.87 0.00 0.00 60.65 58.06 2cpm h LYS 45 Cb 1.28 0.15 -0.16 0.00 0.08 0.00 0.00 32.23 33.58 2cpm h LYS 45 CO 0.45 1.20 -0.29 0.28 -0.57 0.00 0.00 179.45 180.52 2cpm n VAL 46 N -4.21 -0.43 0.06 0.50 0.31 -1.26 -0.06 118.33 113.24 2cpm n VAL 46 Ca -0.13 2.13 -0.12 0.00 -0.01 0.00 0.00 64.34 66.21 2cpm n VAL 46 Cb 0.76 -2.89 -0.05 0.00 -0.91 0.00 0.00 33.84 30.75 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 -0.44 -0.33 5.55 5.08 -1.97 -2.12 114.58 120.35 2cpm h GLU 47 Ca 0.39 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.84 2cpm h GLU 47 Cb 0.62 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 2cpm h GLU 47 CO -0.93 -0.29 -0.01 0.35 -1.00 0.00 0.00 179.01 177.13 2cpm h PHE 48 N -0.45 -0.03 -0.43 4.33 3.57 -0.60 -2.36 116.94 120.97 2cpm h PHE 48 Ca 0.06 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.66 2cpm h PHE 48 Cb 0.54 0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.25 2cpm h PHE 48 CO -0.32 -0.07 -0.37 -0.09 -2.23 0.00 0.00 178.31 175.23 2cpm h ARG 49 N 0.09 -0.26 -0.36 1.11 2.43 -0.44 -0.91 114.38 116.03 2cpm h ARG 49 Ca 0.16 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.42 2cpm h ARG 49 Cb 0.22 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.76 2cpm h ARG 49 CO -0.28 -0.17 -0.10 0.87 -1.51 0.00 0.00 179.97 178.78 2cpm h LYS 50 N -0.27 -0.01 -0.54 0.20 1.57 -0.99 -1.72 116.57 114.80 2cpm h LYS 50 Ca 0.17 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.06 2cpm h LYS 50 Cb 0.56 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.78 2cpm h LYS 50 CO -0.58 -0.01 -0.06 -0.09 -0.57 0.00 0.00 179.45 178.15 2cpm h ARG 51 N -0.01 0.06 -0.84 3.15 2.43 -0.70 -0.06 114.38 118.40 2cpm h ARG 51 Ca 0.17 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 2cpm h ARG 51 Cb 0.28 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 2cpm h ARG 51 CO -0.38 0.04 0.53 0.52 -1.51 0.00 0.00 179.97 179.17 2cpm h MET 52 N 0.06 0.96 -0.51 0.20 2.86 -0.43 -1.27 114.93 116.80 2cpm h MET 52 Ca 0.27 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.92 2cpm h MET 52 Cb 0.42 -0.22 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 2cpm h MET 52 CO -0.50 0.64 0.20 0.93 1.06 0.00 0.00 176.91 179.23 2cpm h GLU 53 N 0.99 0.38 -0.00 1.72 5.08 -0.26 0.30 114.58 122.80 2cpm h GLU 53 Ca 0.36 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2cpm h GLU 53 Cb 0.10 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2cpm h GLU 53 CO -0.15 0.25 0.00 -0.22 -1.00 0.00 0.00 179.01 177.89 2cpm h LYS 54 N 0.39 0.00 0.60 2.33 1.63 -0.82 -2.16 116.57 118.55 2cpm h LYS 54 Ca 0.24 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.02 2cpm h LYS 54 Cb 0.25 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2cpm h LYS 54 CO -0.23 0.28 -0.32 0.93 -3.45 0.00 0.00 179.45 176.65 2cpm h GLU 55 N -0.27 -0.82 -0.48 1.90 4.39 -0.90 -1.61 114.58 116.79 2cpm h GLU 55 Ca 0.00 0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.81 2cpm h GLU 55 Cb 0.28 0.19 -0.08 0.00 -0.10 0.00 0.00 28.75 29.04 2cpm h GLU 55 CO 0.00 -0.55 -0.47 0.28 -1.16 0.00 0.00 179.01 177.11 2cpm h VAL 56 N -0.85 0.00 -0.39 3.13 2.07 -0.49 -1.81 116.25 117.91 2cpm h VAL 56 Ca -0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2cpm h VAL 56 Cb 0.67 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 2cpm h VAL 56 CO 0.11 0.00 -0.53 -1.28 0.02 0.00 0.00 177.57 175.89 2cpm h SER 57 N -0.24 -1.78 -0.97 0.57 0.87 -1.41 0.54 113.55 111.14 2cpm h SER 57 Ca 0.08 0.23 0.28 0.00 -1.23 0.00 0.00 61.79 61.15 2cpm h SER 57 Cb 0.45 0.73 -0.18 0.00 -0.44 0.00 0.00 62.40 62.96 2cpm h SER 57 CO -0.58 -0.38 0.11 -0.78 -0.53 0.00 0.00 176.83 174.66 2cpm h ASP 58 N -0.38 -0.34 -0.60 6.23 1.82 -0.57 0.82 116.42 123.40 2cpm h ASP 58 Ca 0.07 0.27 -0.04 0.00 -0.39 0.00 0.00 57.03 56.94 2cpm h ASP 58 Cb 0.57 0.44 -0.03 0.00 0.68 0.00 0.00 39.33 40.99 2cpm h ASP 58 CO -0.57 -0.34 0.23 0.15 -1.61 0.00 0.00 179.24 177.10 2cpm h PHE 59 N 0.03 0.92 -0.01 0.28 3.04 -0.14 -2.31 116.94 118.76 2cpm h PHE 59 Ca 0.62 -0.07 0.03 0.00 3.98 0.00 0.00 57.97 62.53 2cpm h PHE 59 Cb 1.32 -0.27 -0.05 0.00 2.56 0.00 0.00 35.95 39.51 2cpm h PHE 59 CO -0.42 0.74 -0.31 0.82 -2.02 0.00 0.00 178.31 177.13 2cpm h ILE 60 N 0.84 0.32 -0.67 1.41 2.04 0.18 -2.21 117.51 119.41 2cpm h ILE 60 Ca 0.20 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.10 2cpm h ILE 60 Cb 0.22 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 2cpm h ILE 60 CO -0.01 0.00 0.40 1.56 0.00 0.00 0.00 178.15 180.10 2cpm h GLN 61 N -0.45 0.74 -6.04 2.37 4.20 -1.33 -3.40 115.11 111.20 2cpm h GLN 61 Ca 0.06 -0.04 -0.60 0.00 0.06 0.00 0.00 58.65 58.13 2cpm h GLN 61 Cb 0.55 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2cpm h GLN 61 CO -0.27 0.49 1.44 -0.25 -0.67 0.00 0.00 178.83 179.57 2cpm n ASP 62 N -4.73 3.19 0.02 1.46 8.00 -0.83 -4.87 116.55 118.79 2cpm n ASP 62 Ca 0.08 0.34 -0.07 0.00 0.71 0.00 0.00 54.79 55.84 2cpm n ASP 62 Cb 0.12 -1.50 -0.05 0.00 -0.02 0.00 0.00 41.12 39.67 2cpm n ASP 62 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2cpm h SER 63 N 13.98 -0.13 -1.00 -2.24 0.02 -1.81 -3.31 113.55 119.06 2cpm h SER 63 Ca -0.40 -0.30 0.39 0.00 -0.84 0.00 0.00 61.79 60.64 2cpm h SER 63 Cb 1.25 0.03 -0.18 0.00 0.14 0.00 0.00 62.40 63.65 2cpm h SER 63 CO 0.97 0.47 0.44 1.23 -1.14 0.00 0.00 176.83 178.80 2cpm h GLY 64 N -0.98 2.06 -4.71 -3.77 0.00 -1.95 -3.36 103.07 90.36 2cpm h GLY 64 Ca -0.02 -0.09 -0.55 0.00 0.00 0.00 0.00 47.33 46.67 2cpm h GLY 64 CO 0.03 -0.74 0.59 1.20 0.00 0.00 0.00 176.54 177.62 2cpm s GLN 65 N -5.62 4.41 -0.13 4.80 -0.21 -1.25 -4.91 119.66 116.75 2cpm s GLN 65 Ca -0.10 1.49 0.11 0.00 0.02 0.00 0.00 55.36 56.88 2cpm s GLN 65 Cb 0.33 -3.53 -0.15 0.00 1.00 0.00 0.00 33.01 30.65 2cpm s GLN 65 CO 0.78 -0.33 0.03 0.44 -2.12 0.00 0.00 175.29 174.09 2cpm n ILE 66 N 4.50 0.87 -4.04 1.08 -5.35 -1.26 -4.92 119.36 110.24 2cpm n ILE 66 Ca 0.09 -0.53 -0.09 0.00 -0.27 0.00 0.00 62.75 61.95 2cpm n ILE 66 Cb 0.48 -0.68 -0.11 0.00 -1.74 0.00 0.00 39.64 37.59 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 -2.31 0.47 -0.05 6.28 -2.85 -1.26 -2.61 119.74 117.40 2cpm s LYS 67 Ca -0.07 -0.84 -0.04 0.00 -1.00 0.00 0.00 55.97 54.02 2cpm s LYS 67 Cb 0.04 0.03 0.02 0.00 -2.06 0.00 0.00 37.83 35.86 2cpm s LYS 67 CO 0.51 -0.04 0.13 0.21 0.10 0.00 0.00 175.35 176.25 2cpm s LYS 68 N -2.27 0.12 0.04 1.78 2.20 -0.88 -5.05 119.74 115.68 2cpm s LYS 68 Ca -0.07 0.23 0.02 0.00 -0.36 0.00 0.00 55.97 55.79 2cpm s LYS 68 Cb -0.04 -0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.23 2cpm s LYS 68 CO -0.03 -0.06 0.03 0.21 -0.36 0.00 0.00 175.35 175.13 2cpm s LYS 69 N 0.41 2.78 0.40 4.03 2.20 -1.26 -1.84 119.74 126.46 2cpm s LYS 69 Ca -0.03 -0.67 0.07 0.00 -0.36 0.00 0.00 55.97 54.99 2cpm s LYS 69 Cb -0.04 -2.67 -0.07 0.00 -1.51 0.00 0.00 37.83 33.53 2cpm s LYS 69 CO -0.02 0.59 0.02 -0.06 -0.36 0.00 0.00 175.35 175.52 2cpm s PHE 70 N -1.22 2.52 -0.06 4.03 0.08 -0.50 -5.01 117.98 117.82 2cpm s PHE 70 Ca 0.24 -0.63 0.03 0.00 0.12 0.00 0.00 56.93 56.68 2cpm s PHE 70 Cb -0.12 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.56 2cpm s PHE 70 CO 0.15 0.43 -0.13 -0.65 -0.10 0.00 0.00 175.22 174.93 2cpm s GLN 71 N -3.72 2.63 -1.19 0.44 -0.21 -1.26 -4.15 119.66 112.20 2cpm s GLN 71 Ca 0.35 -0.67 -0.23 0.00 0.02 0.00 0.00 55.36 54.84 2cpm s GLN 71 Cb 0.08 -2.44 -0.09 0.00 1.00 0.00 0.00 33.01 31.56 2cpm s GLN 71 CO 0.18 0.59 1.93 -0.35 -2.12 0.00 0.00 175.29 175.53 2cpm n PRO 72 N 2.42 1.60 0.00 2.91 -0.04 -1.26 -4.71 135.00 135.93 2cpm n PRO 72 Ca -0.17 -2.47 -0.18 0.00 -0.04 0.00 0.00 63.50 60.64 2cpm n PRO 72 Cb 0.52 -3.73 -0.10 0.00 -0.04 0.00 0.00 33.50 30.16 2cpm n PRO 72 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2cpm h MET 73 N 9.68 0.56 -5.07 0.54 2.86 -1.96 -3.47 114.93 118.07 2cpm h MET 73 Ca 0.22 -0.54 -0.58 0.00 -2.06 0.00 0.00 59.70 56.74 2cpm h MET 73 Cb 0.93 0.14 -0.13 0.00 0.06 0.00 0.00 31.60 32.60 2cpm h MET 73 CO 1.23 1.16 -0.52 -0.80 1.06 0.00 0.00 176.91 179.05 2cpm s ASN 74 N -6.91 3.00 0.06 1.22 0.01 -1.26 -5.06 114.94 106.00 2cpm s ASN 74 Ca -0.12 -1.66 0.20 0.00 -0.71 0.00 0.00 52.86 50.56 2cpm s ASN 74 Cb 0.06 0.49 -0.15 0.00 0.41 0.00 0.00 41.25 42.05 2cpm s ASN 74 CO 0.86 -0.91 0.74 0.29 -1.51 0.00 0.00 177.10 176.56 2cpm n LYS 75 N -0.96 0.63 -0.07 -0.60 4.01 -1.26 -4.26 118.16 115.66 2cpm n LYS 75 Ca -0.08 0.08 -0.09 0.00 -0.51 0.00 0.00 58.31 57.71 2cpm n LYS 75 Cb 0.65 -1.72 -0.15 0.00 -0.51 0.00 0.00 35.03 33.30 2cpm n LYS 75 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2cpm n ILE 76 N -2.68 1.45 -0.57 -0.18 2.08 -1.26 -4.28 119.36 113.93 2cpm n ILE 76 Ca -0.08 -0.83 0.45 0.00 0.56 0.00 0.00 62.75 62.85 2cpm n ILE 76 Cb 0.73 -0.68 0.69 0.00 -0.75 0.00 0.00 39.64 39.63 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 -2.86 0.00 0.28 0.38 0.28 -1.26 0.44 120.64 117.91 2cpm n GLU 77 Ca -0.26 1.00 -0.16 0.00 -0.16 0.00 0.00 57.16 57.57 2cpm n GLU 77 Cb 1.10 -2.34 -0.08 0.00 1.43 0.00 0.00 31.44 31.56 2cpm n GLU 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2cpm h ARG 78 N 0.00 -0.71 -0.57 3.44 2.47 -1.82 0.34 114.38 117.53 2cpm h ARG 78 Ca 0.79 0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 59.49 2cpm h ARG 78 Cb 3.37 0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 31.83 2cpm h ARG 78 CO -0.01 -0.48 0.08 1.03 0.56 0.00 0.00 179.97 181.16 2cpm h SER 79 N -0.74 0.91 0.66 7.04 0.87 -0.31 -1.06 113.55 120.93 2cpm h SER 79 Ca -0.06 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 2cpm h SER 79 Cb 0.60 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2cpm h SER 79 CO 0.06 0.95 -0.32 0.40 -0.53 0.00 0.00 176.83 177.39 2cpm h ILE 80 N 0.84 0.00 -0.92 2.23 2.04 -1.30 -2.06 117.51 118.33 2cpm h ILE 80 Ca 0.17 -0.05 0.14 0.00 1.00 0.00 0.00 64.86 66.13 2cpm h ILE 80 Cb 0.43 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.42 2cpm h ILE 80 CO 0.01 0.00 0.53 0.25 0.00 0.00 0.00 178.15 178.95 2cpm h LEU 81 N -0.94 0.71 -0.57 1.44 5.85 -0.37 -0.88 115.31 120.55 2cpm h LEU 81 Ca -0.09 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.78 2cpm h LEU 81 Cb 0.68 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 2cpm h LEU 81 CO 0.15 0.32 0.24 0.45 -0.34 0.00 0.00 178.44 179.26 2cpm h HIS 82 N 0.77 0.43 -0.54 1.25 3.86 -1.10 -0.60 115.15 119.22 2cpm h HIS 82 Ca 0.49 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.71 2cpm h HIS 82 Cb 0.64 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 2cpm h HIS 82 CO -0.04 0.15 0.28 0.22 0.86 0.00 0.00 177.93 179.39 2cpm h ASP 83 N 0.45 0.69 -0.84 2.45 1.82 -0.44 -0.78 116.42 119.77 2cpm h ASP 83 Ca 0.27 -0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 2cpm h ASP 83 Cb 0.28 -0.18 -0.04 0.00 0.68 0.00 0.00 39.33 40.07 2cpm h ASP 83 CO -0.25 0.61 0.50 0.58 -1.61 0.00 0.00 179.24 179.07 2cpm h VAL 84 N 0.72 1.23 0.54 2.25 2.07 -0.79 -1.95 116.25 120.33 2cpm h VAL 84 Ca 0.19 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 2cpm h VAL 84 Cb 0.09 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2cpm h VAL 84 CO -0.03 0.25 -0.26 0.58 0.02 0.00 0.00 177.57 178.13 2cpm h VAL 85 N 1.16 0.00 -1.11 2.57 2.07 -0.78 -1.69 116.25 118.48 2cpm h VAL 85 Ca 0.30 -0.47 0.31 0.00 0.82 0.00 0.00 66.70 67.67 2cpm h VAL 85 Cb -0.04 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.63 2cpm h VAL 85 CO -0.06 0.00 0.71 1.05 0.02 0.00 0.00 177.57 179.30 2cpm h GLU 86 N -1.20 0.29 -0.16 1.57 4.11 -1.13 0.35 114.58 118.41 2cpm h GLU 86 Ca -0.07 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 59.17 2cpm h GLU 86 Cb 0.56 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2cpm h GLU 86 CO 0.12 0.19 -0.53 0.28 0.07 0.00 0.00 179.01 179.14 2cpm h VAL 87 N 0.30 1.32 -0.10 -1.06 2.07 -1.34 -3.17 116.25 114.28 2cpm h VAL 87 Ca 0.66 -1.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.33 2cpm h VAL 87 Cb 1.81 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 33.56 2cpm h VAL 87 CO -0.34 0.55 -0.24 0.00 0.02 0.00 0.00 177.57 177.56 2cpm h ALA 88 N 0.55 1.41 0.00 1.67 0.00 0.53 -3.47 119.26 119.96 2cpm h ALA 88 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2cpm h ALA 88 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2cpm h ALA 88 CO 0.11 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.19 2cpm n GLY 89 N -0.66 1.08 3.36 0.00 0.00 0.33 -5.09 105.19 104.21 2cpm n GLY 89 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 2.51 0.02 0.99 1.43 -1.09 -4.80 118.68 117.74 2cpm s LEU 90 Ca 0.00 -1.08 -0.16 0.00 -1.03 0.00 0.00 54.13 51.86 2cpm s LEU 90 Cb 0.00 -0.62 -0.06 0.00 0.03 0.00 0.00 46.19 45.54 2cpm s LEU 90 CO 0.00 -0.25 0.45 -0.89 0.23 0.00 0.00 176.35 175.89 2cpm s THR 91 N -3.03 4.95 0.13 5.49 2.01 -0.36 -4.14 115.64 120.69 2cpm s THR 91 Ca 0.24 0.94 0.04 0.00 0.31 0.00 0.00 61.69 63.22 2cpm s THR 91 Cb 0.01 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2cpm s THR 91 CO 0.08 0.57 -0.10 -0.55 -0.69 0.00 0.00 174.62 173.93 2cpm s SER 92 N -1.07 1.67 0.27 3.53 0.15 -1.26 0.19 113.70 117.17 2cpm s SER 92 Ca 0.25 -0.99 -0.21 0.00 0.70 0.00 0.00 55.95 55.70 2cpm s SER 92 Cb -0.17 0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.16 2cpm s SER 92 CO 0.15 -0.34 0.70 -0.36 1.20 0.00 0.00 173.24 174.58 2cpm s PHE 93 N -3.29 -0.18 -0.11 3.44 0.08 0.61 -4.96 117.98 113.57 2cpm s PHE 93 Ca 0.15 -0.26 0.02 0.00 0.12 0.00 0.00 56.93 56.96 2cpm s PHE 93 Cb 0.02 0.67 0.01 0.00 -0.57 0.00 0.00 43.02 43.16 2cpm s PHE 93 CO -0.00 -1.20 -0.19 0.45 -0.10 0.00 0.00 175.22 174.18 2cpm s SER 94 N -2.92 2.71 -0.12 1.36 0.15 -1.26 -0.73 113.70 112.89 2cpm s SER 94 Ca 0.11 -0.50 -0.05 0.00 0.70 0.00 0.00 55.95 56.22 2cpm s SER 94 Cb -0.05 -1.23 0.06 0.00 -1.71 0.00 0.00 66.02 63.08 2cpm s SER 94 CO 0.06 0.06 0.25 -0.36 1.20 0.00 0.00 173.24 174.46 2cpm s PHE 95 N 0.80 -0.38 0.04 3.44 0.08 -0.32 -5.00 117.98 116.64 2cpm s PHE 95 Ca -0.09 0.89 0.01 0.00 0.12 0.00 0.00 56.93 57.86 2cpm s PHE 95 Cb -0.16 -0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.26 2cpm s PHE 95 CO 0.00 -0.31 -0.05 0.20 -0.10 0.00 0.00 175.22 174.97 2cpm s GLY 96 N 1.96 0.43 0.11 4.36 0.00 -1.26 -2.55 107.32 110.38 2cpm s GLY 96 Ca -0.03 -0.85 -0.12 0.00 0.00 0.00 0.00 44.72 43.71 2cpm s GLY 96 CO -0.08 -0.93 1.34 0.83 0.00 0.00 0.00 173.10 174.26 2cpm h GLU 97 N 4.11 0.84 -6.25 2.90 5.08 -1.94 -3.45 114.58 115.86 2cpm h GLU 97 Ca -0.34 -0.62 -0.57 0.00 -1.00 0.00 0.00 59.36 56.83 2cpm h GLU 97 Cb 1.19 0.11 -0.21 0.00 0.50 0.00 0.00 28.75 30.33 2cpm h GLU 97 CO 0.49 1.24 -0.83 0.34 -1.00 0.00 0.00 179.01 179.24 2cpm s ASP 98 N -7.05 2.68 0.30 1.42 2.15 -1.21 -4.80 116.67 110.16 2cpm s ASP 98 Ca -0.10 -0.72 0.06 0.00 0.43 0.00 0.00 52.55 52.22 2cpm s ASP 98 Cb 0.09 -0.15 0.78 0.00 -0.30 0.00 0.00 42.92 43.33 2cpm s ASP 98 CO 0.90 0.07 1.72 -2.24 -0.17 0.00 0.00 175.17 175.45 2cpm h ASP 99 N 3.94 0.52 -0.35 -0.34 2.03 -2.04 0.72 116.42 120.90 2cpm h ASP 99 Ca -0.46 0.14 -0.12 0.00 -0.73 0.00 0.00 57.03 55.85 2cpm h ASP 99 Cb 1.18 0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 39.75 2cpm h ASP 99 CO 0.41 0.08 -0.26 0.44 -1.03 0.00 0.00 179.24 178.87 2cpm h ASP 100 N 0.51 0.83 -3.58 4.15 3.32 -1.99 -3.40 116.42 116.27 2cpm h ASP 100 Ca 0.59 -0.44 -0.66 0.00 0.02 0.00 0.00 57.03 56.53 2cpm h ASP 100 Cb 1.08 -0.23 -0.16 0.00 0.22 0.00 0.00 39.33 40.24 2cpm h ASP 100 CO -0.48 1.10 -0.05 0.00 -1.72 0.00 0.00 179.24 178.08 2cpm s ARG 102 N 2.44 0.68 0.33 0.00 0.52 -1.26 -3.32 118.95 118.34 2cpm s ARG 102 Ca 0.18 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 55.04 2cpm s ARG 102 Cb -0.16 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.28 2cpm s ARG 102 CO 0.15 -0.61 0.49 1.52 0.02 0.00 0.00 175.30 176.88 2cpm s TYR 103 N 1.86 3.34 -0.06 -0.53 -0.85 -1.06 -4.55 117.35 115.50 2cpm s TYR 103 Ca -0.00 0.07 0.02 0.00 -0.52 0.00 0.00 57.07 56.64 2cpm s TYR 103 Cb -0.17 -1.90 -0.03 0.00 0.38 0.00 0.00 41.96 40.25 2cpm s TYR 103 CO -0.08 0.10 -0.12 0.54 -1.52 0.00 0.00 175.55 174.47 2cpm s VAL 104 N -2.22 3.27 0.23 -3.49 0.11 -1.26 -1.18 120.40 115.86 2cpm s VAL 104 Ca 0.41 -0.64 0.08 0.00 -2.93 0.00 0.00 61.98 58.90 2cpm s VAL 104 Cb -0.09 -2.31 -0.05 0.00 -1.53 0.00 0.00 36.38 32.40 2cpm s VAL 104 CO 0.33 0.59 -0.13 -0.04 -3.33 0.00 0.00 175.10 172.51 2cpm s MET 105 N -0.63 1.42 0.00 1.54 -1.94 0.09 -1.41 119.30 118.37 2cpm s MET 105 Ca 0.09 -1.66 -0.01 0.00 -1.71 0.00 0.00 55.69 52.41 2cpm s MET 105 Cb -0.11 -1.21 -0.00 0.00 2.01 0.00 0.00 34.83 35.51 2cpm s MET 105 CO 0.01 0.17 0.02 0.96 -0.01 0.00 0.00 175.02 176.17 2cpm s ILE 106 N -2.92 0.04 0.17 2.53 -4.36 -0.77 -0.28 121.20 115.61 2cpm s ILE 106 Ca 0.25 -0.36 0.03 0.00 -0.26 0.00 0.00 60.65 60.31 2cpm s ILE 106 Cb -0.00 -0.15 -0.05 0.00 1.25 0.00 0.00 42.46 43.51 2cpm s ILE 106 CO 0.09 -0.20 -0.05 -0.36 0.24 0.00 0.00 174.94 174.66 2cpm s PHE 107 N -0.60 1.27 0.86 1.37 0.40 0.13 -2.08 117.98 119.34 2cpm s PHE 107 Ca -0.07 -0.88 -0.13 0.00 -0.60 0.00 0.00 56.93 55.26 2cpm s PHE 107 Cb -0.04 -0.70 0.14 0.00 0.51 0.00 0.00 43.02 42.93 2cpm s PHE 107 CO -0.00 -0.04 1.22 0.15 0.70 0.00 0.00 175.22 177.24 2cpm s LYS 108 N -3.82 1.37 0.00 0.44 1.02 -1.07 -1.23 119.74 116.44 2cpm s LYS 108 Ca 0.20 -0.23 -0.25 0.00 0.02 0.00 0.00 55.97 55.71 2cpm s LYS 108 Cb 0.04 -1.95 -0.17 0.00 -0.52 0.00 0.00 37.83 35.24 2cpm s LYS 108 CO 0.02 -1.93 1.25 -0.22 -0.92 0.00 0.00 175.35 173.56 2cpm h LYS 109 N -1.25 -0.27 -0.07 1.68 3.64 -1.92 0.23 116.57 118.61 2cpm h LYS 109 Ca -0.45 0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 58.72 2cpm h LYS 109 Cb 1.28 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.17 2cpm h LYS 109 CO 0.51 0.07 -0.89 1.49 -2.27 0.00 0.00 179.45 178.37 2cpm h GLU 110 N -0.65 0.68 -0.70 1.90 4.57 -1.98 -3.10 114.58 115.31 2cpm h GLU 110 Ca -0.03 -0.63 0.00 0.00 -1.18 0.00 0.00 59.36 57.52 2cpm h GLU 110 Cb 0.47 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2cpm h GLU 110 CO 0.05 1.23 0.00 1.19 -1.18 0.00 0.00 179.01 180.30 2cpm n PHE 111 N -3.87 1.01 -2.29 0.92 3.72 -1.24 -4.94 117.46 110.76 2cpm n PHE 111 Ca -0.08 -0.37 -0.38 0.00 -0.05 0.00 0.00 57.45 56.57 2cpm n PHE 111 Cb 0.80 -0.26 -0.02 0.00 -0.94 0.00 0.00 39.48 39.07 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 -1.85 3.10 0.73 4.37 0.00 0.80 -4.28 121.76 124.63 2cpm s ALA 112 Ca 0.29 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 2cpm s ALA 112 Cb 0.21 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.99 2cpm s ALA 112 CO 0.11 -0.55 1.10 -1.25 0.00 0.00 0.00 175.76 175.16 2cpm s PRO 113 N -2.42 2.45 0.43 0.00 0.04 -1.26 -5.01 135.00 129.23 2cpm s PRO 113 Ca 0.59 1.24 0.08 0.00 0.04 0.00 0.00 61.00 62.95 2cpm s PRO 113 Cb -0.30 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.34 2cpm s PRO 113 CO 0.37 -1.51 0.54 -1.12 0.04 0.00 0.00 177.00 175.33 2cpm s SER 114 N -3.12 5.46 0.02 6.66 0.01 -1.26 -4.91 113.70 116.57 2cpm s SER 114 Ca 0.63 -0.54 -0.09 0.00 1.31 0.00 0.00 55.95 57.26 2cpm s SER 114 Cb -0.18 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 2cpm s SER 114 CO 0.51 -0.79 1.15 -0.78 0.41 0.00 0.00 173.24 173.74 2cpm h ASP 115 N 0.69 -0.38 -0.36 2.44 1.82 -1.99 0.49 116.42 119.14 2cpm h ASP 115 Ca -0.39 0.03 0.06 0.00 -0.39 0.00 0.00 57.03 56.34 2cpm h ASP 115 Cb 1.28 0.13 -0.06 0.00 0.68 0.00 0.00 39.33 41.36 2cpm h ASP 115 CO 0.48 -0.17 0.00 -0.08 -1.61 0.00 0.00 179.24 177.86 2cpm h GLU 116 N -0.26 0.10 -0.91 0.28 4.22 -2.00 -1.44 114.58 114.57 2cpm h GLU 116 Ca -0.01 -0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.52 2cpm h GLU 116 Cb 0.23 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.38 2cpm h GLU 116 CO -0.03 0.07 0.55 0.93 -2.18 0.00 0.00 179.01 178.35 2cpm h GLU 117 N 0.10 0.88 0.31 1.92 5.08 -1.94 -2.12 114.58 118.82 2cpm h GLU 117 Ca 0.18 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2cpm h GLU 117 Cb 0.24 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2cpm h GLU 117 CO -0.29 0.59 -0.28 -0.07 -1.00 0.00 0.00 179.01 177.95 2cpm h LEU 118 N 0.91 -0.74 -1.32 1.33 3.38 0.11 0.55 115.31 119.53 2cpm h LEU 118 Ca 0.44 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.63 2cpm h LEU 118 Cb 0.39 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 2cpm h LEU 118 CO -0.25 -0.41 0.58 -0.78 0.09 0.00 0.00 178.44 177.67 2cpm h ASP 119 N -0.61 0.62 0.53 -0.43 1.82 -0.98 0.19 116.42 117.56 2cpm h ASP 119 Ca -0.02 0.04 -0.22 0.00 -0.39 0.00 0.00 57.03 56.45 2cpm h ASP 119 Cb 0.55 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 2cpm h ASP 119 CO -0.04 0.30 -0.96 0.28 -1.61 0.00 0.00 179.24 177.20 2cpm h SER 120 N 0.64 0.36 -0.37 2.28 0.02 -0.74 -1.89 113.55 113.85 2cpm h SER 120 Ca 0.45 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2cpm h SER 120 Cb 0.79 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2cpm h SER 120 CO -0.21 1.13 0.06 1.88 -1.14 0.00 0.00 176.83 178.56 2cpm h TYR 121 N 0.14 0.64 -0.07 3.45 0.05 0.20 -0.23 116.97 121.15 2cpm h TYR 121 Ca -0.07 -0.09 -0.20 0.00 0.05 0.00 0.00 58.73 58.42 2cpm h TYR 121 Cb 1.62 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 39.18 2cpm h TYR 121 CO 0.04 0.66 -0.79 0.07 -1.05 0.00 0.00 178.16 177.09 2cpm h ARG 122 N 0.44 0.47 0.00 4.88 -0.00 -1.19 -3.12 114.38 115.86 2cpm h ARG 122 Ca 0.11 -0.41 -0.08 0.00 -0.00 0.00 0.00 59.98 59.60 2cpm h ARG 122 Cb 0.36 0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 30.41 2cpm h ARG 122 CO 0.01 1.05 -0.38 0.00 -0.00 0.00 0.00 179.97 180.64 2cpm h ARG 123 N 0.31 0.00 0.00 0.08 3.08 -1.24 -3.47 114.38 113.14 2cpm h ARG 123 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2cpm h ARG 123 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 2cpm h ARG 123 CO 0.14 0.38 0.00 0.41 -1.07 0.00 0.00 179.97 179.83 2cpm n GLY 124 N -0.22 3.10 0.08 0.04 0.00 -0.11 -4.22 105.19 103.88 2cpm n GLY 124 Ca -0.01 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 2cpm n GLY 124 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2cpm h SER 125 N 0.00 -0.05 -1.06 1.61 0.87 -1.81 -3.45 113.55 109.66 2cpm h SER 125 Ca 0.00 -0.59 -0.01 0.00 -1.23 0.00 0.00 61.79 59.96 2cpm h SER 125 Cb 0.00 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2cpm h SER 125 CO 0.00 0.70 -0.01 0.61 -0.53 0.00 0.00 176.83 177.60 2cpm n GLY 126 N 1.31 -3.72 0.18 5.77 0.00 -1.26 -4.90 105.19 102.56 2cpm n GLY 126 Ca -0.07 -1.23 -0.01 0.00 0.00 0.00 0.00 46.02 44.71 2cpm n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cpm h PRO 127 N 0.00 0.12 -6.40 1.61 0.13 -2.00 -3.43 132.00 122.03 2cpm h PRO 127 Ca -0.01 -0.06 -0.54 0.00 -0.87 0.00 0.00 66.00 64.52 2cpm h PRO 127 Cb 0.04 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.14 2cpm h PRO 127 CO 0.01 0.57 0.14 -1.54 -0.23 0.00 0.00 178.00 176.95 2cpm s SER 128 N -6.89 7.28 -0.19 1.44 1.04 -1.26 -4.99 113.70 110.13 2cpm s SER 128 Ca -0.03 1.52 -0.18 0.00 0.48 0.00 0.00 55.95 57.73 2cpm s SER 128 Cb 0.13 -2.47 -0.15 0.00 0.10 0.00 0.00 66.02 63.63 2cpm s SER 128 CO 0.76 0.14 0.12 -1.28 0.98 0.00 0.00 173.24 173.96 2cpm h SER 129 N 4.87 0.00 0.00 7.02 0.87 -1.85 -3.43 113.55 121.03 2cpm h SER 129 Ca -0.46 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 2cpm h SER 129 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2cpm h SER 129 CO 0.68 1.31 0.00 0.61 -0.53 0.00 0.00 176.83 178.89