#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1veh s SER 2 N 0.00 2.70 -0.03 1.61 0.01 -1.26 -5.12 113.70 111.61 1veh s SER 2 Ca 0.00 -0.61 -0.09 0.00 1.31 0.00 0.00 55.95 56.57 1veh s SER 2 Cb 0.00 -0.85 0.01 0.00 0.21 0.00 0.00 66.02 65.40 1veh s SER 2 CO 0.00 -0.19 0.20 -0.94 0.41 0.00 0.00 173.24 172.72 1veh s SER 3 N 1.68 -0.11 -0.27 2.44 1.04 -1.26 -5.14 113.70 112.08 1veh s SER 3 Ca 0.01 0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.46 1veh s SER 3 Cb -0.15 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 1veh s SER 3 CO -0.08 -0.27 0.09 -0.83 0.98 0.00 0.00 173.24 173.14 1veh s GLY 4 N -0.79 1.79 0.51 7.32 0.00 -1.26 -4.99 107.32 109.90 1veh s GLY 4 Ca -0.09 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.39 1veh s GLY 4 CO 0.02 0.59 0.00 -1.26 0.00 0.00 0.00 173.10 172.45 1veh n SER 5 N 4.93 -8.13 -4.76 1.64 2.88 -1.26 -4.77 113.62 104.15 1veh n SER 5 Ca -0.15 1.13 -0.39 0.00 -1.33 0.00 0.00 58.87 58.13 1veh n SER 5 Cb 0.50 -4.69 -0.05 0.00 -0.75 0.00 0.00 64.21 59.22 1veh n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1veh s SER 6 N -7.10 7.01 0.00 -3.46 1.04 -1.26 -4.90 113.70 105.03 1veh s SER 6 Ca 0.00 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.63 1veh s SER 6 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1veh s SER 6 CO 0.00 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1veh n GLY 7 N 2.48 -0.10 0.08 7.32 0.00 -1.26 -4.97 105.19 108.74 1veh n GLY 7 Ca -0.06 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 1veh n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1veh n SER 8 N -0.80 1.87 -3.41 1.61 7.64 -1.26 -4.97 113.62 114.28 1veh n SER 8 Ca 0.00 0.50 0.03 0.00 1.01 0.00 0.00 58.87 60.41 1veh n SER 8 Cb 0.00 -0.83 -0.05 0.00 -1.01 0.00 0.00 64.21 62.32 1veh n SER 8 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1veh s GLU 9 N -2.49 0.00 0.78 1.43 2.56 -1.26 -5.15 118.70 114.56 1veh s GLU 9 Ca -0.22 0.00 -0.17 0.00 0.00 0.00 0.00 54.97 54.57 1veh s GLU 9 Cb 0.04 0.00 -0.15 0.00 2.00 0.00 0.00 34.13 36.02 1veh s GLU 9 CO 0.34 -0.00 -0.52 0.39 -0.56 0.00 0.00 175.26 174.91 1veh n GLU 10 N 3.71 0.00 -2.91 4.30 1.02 -1.26 -4.86 120.64 120.64 1veh n GLU 10 Ca -0.12 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.62 1veh n GLU 10 Cb 0.56 -0.99 -0.04 0.00 -0.02 0.00 0.00 31.44 30.95 1veh n GLU 10 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1veh s ASP 11 N -0.99 7.20 0.00 1.62 1.47 -1.26 -5.05 116.67 119.66 1veh s ASP 11 Ca 0.47 1.45 0.00 0.00 1.18 0.00 0.00 52.55 55.64 1veh s ASP 11 Cb -0.31 -2.49 0.00 0.00 -0.34 0.00 0.00 42.92 39.78 1veh s ASP 11 CO 0.75 -0.11 0.00 -0.67 0.68 0.00 0.00 175.17 175.82 1veh n ASP 12 N 3.41 0.76 0.08 2.11 2.03 -1.26 -4.97 116.55 118.71 1veh n ASP 12 Ca 0.01 -0.38 -0.02 0.00 0.52 0.00 0.00 54.79 54.92 1veh n ASP 12 Cb 0.51 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.85 1veh n ASP 12 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1veh h GLU 13 N 0.00 0.00 0.03 -0.67 4.39 -1.99 -2.83 114.58 113.51 1veh h GLU 13 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 1veh h GLU 13 Cb 0.00 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1veh h GLU 13 CO 0.00 0.57 -1.07 -0.24 -1.16 0.00 0.00 179.01 177.11 1veh h VAL 14 N 0.00 1.32 0.68 3.13 3.04 -1.99 -2.75 116.25 119.68 1veh h VAL 14 Ca -0.07 -2.36 -0.03 0.00 -1.01 0.00 0.00 66.70 63.22 1veh h VAL 14 Cb 1.59 2.47 0.01 0.00 -2.01 0.00 0.00 31.29 33.35 1veh h VAL 14 CO 0.08 0.72 -0.33 0.58 -1.01 0.00 0.00 177.57 177.61 1veh h VAL 15 N 0.32 0.11 -1.12 1.51 2.07 -1.96 -0.17 116.25 117.02 1veh h VAL 15 Ca -0.13 -0.30 0.31 0.00 0.82 0.00 0.00 66.70 67.40 1veh h VAL 15 Cb 1.72 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 31.54 1veh h VAL 15 CO 0.20 0.01 0.73 0.00 0.02 0.00 0.00 177.57 178.54 1veh h ALA 16 N -1.09 2.46 0.38 1.67 0.00 -1.61 0.69 119.26 121.76 1veh h ALA 16 Ca -0.09 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1veh h ALA 16 Cb 0.72 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1veh h ALA 16 CO 0.15 -0.90 -0.18 1.98 0.00 0.00 0.00 179.25 180.30 1veh h MET 17 N 0.28 -0.49 -0.38 0.00 4.05 -1.20 -2.49 114.93 114.69 1veh h MET 17 Ca 0.64 0.03 0.08 0.00 -0.28 0.00 0.00 59.70 60.17 1veh h MET 17 Cb 1.83 0.11 -0.08 0.00 -0.80 0.00 0.00 31.60 32.67 1veh h MET 17 CO -0.28 -0.33 -0.12 0.82 0.23 0.00 0.00 176.91 177.23 1veh h ILE 18 N -0.75 0.57 -0.75 1.77 2.04 0.10 -0.55 117.51 119.95 1veh h ILE 18 Ca -0.05 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.92 1veh h ILE 18 Cb 0.39 0.57 -0.13 0.00 -0.74 0.00 0.00 36.82 36.92 1veh h ILE 18 CO 0.09 0.00 -0.41 0.11 0.00 0.00 0.00 178.15 177.94 1veh h LYS 19 N -0.03 -0.12 -0.38 2.37 1.57 0.27 0.65 116.57 120.91 1veh h LYS 19 Ca 0.18 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 1veh h LYS 19 Cb 0.32 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 1veh h LYS 19 CO -0.41 -0.08 0.11 1.49 -0.57 0.00 0.00 179.45 179.99 1veh h GLU 20 N -0.12 0.24 0.00 3.15 4.81 -0.75 0.69 114.58 122.60 1veh h GLU 20 Ca 0.24 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1veh h GLU 20 Cb 0.56 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1veh h GLU 20 CO -0.80 0.16 -0.00 -0.07 -0.73 0.00 0.00 179.01 177.56 1veh h LEU 21 N 0.25 0.00 0.11 1.64 3.38 0.12 2.24 115.31 123.05 1veh h LEU 21 Ca 0.18 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.82 1veh h LEU 21 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1veh h LEU 21 CO -0.20 0.00 -1.71 -0.07 0.09 0.00 0.00 178.44 176.55 1veh h LEU 22 N 0.00 0.37 -0.35 1.67 -0.00 0.38 -3.37 115.31 114.02 1veh h LEU 22 Ca -0.00 -0.86 -0.19 0.00 -0.00 0.00 0.00 57.88 56.83 1veh h LEU 22 Cb 0.01 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.55 1veh h LEU 22 CO 0.00 1.74 -0.80 0.44 -0.00 0.00 0.00 178.44 179.82 1veh h ASP 23 N -0.18 0.43 0.00 -0.43 5.19 0.15 0.60 116.42 122.18 1veh h ASP 23 Ca -0.37 -0.31 0.00 0.00 -0.62 0.00 0.00 57.03 55.73 1veh h ASP 23 Cb 1.87 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 41.25 1veh h ASP 23 CO 0.05 1.07 0.00 0.35 -3.12 0.00 0.00 179.24 177.58 1veh n THR 24 N -3.78 0.00 -2.74 0.35 -2.24 0.74 -4.48 114.28 102.14 1veh n THR 24 Ca -0.05 0.42 -0.05 0.00 -2.27 0.00 0.00 64.05 62.11 1veh n THR 24 Cb 0.75 -0.88 0.06 0.00 -2.10 0.00 0.00 70.33 68.15 1veh n THR 24 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1veh n ARG 25 N 0.00 1.40 -0.00 -0.78 1.74 -1.26 -4.80 116.66 112.96 1veh n ARG 25 Ca 0.00 -2.99 -0.01 0.00 -0.77 0.00 0.00 57.85 54.08 1veh n ARG 25 Cb 0.00 -1.09 -0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1veh n ARG 25 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1veh n ILE 26 N -0.48 0.04 -0.03 0.55 5.41 -1.15 -4.41 119.36 119.30 1veh n ILE 26 Ca 0.04 -0.01 -0.15 0.00 1.00 0.00 0.00 62.75 63.63 1veh n ILE 26 Cb 0.82 -1.41 -0.11 0.00 -0.71 0.00 0.00 39.64 38.23 1veh n ILE 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1veh h ARG 27 N -0.03 0.14 0.00 0.38 2.43 -0.06 -2.88 114.38 114.36 1veh h ARG 27 Ca -0.02 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1veh h ARG 27 Cb 1.02 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1veh h ARG 27 CO -0.01 0.88 0.00 -0.35 -1.51 0.00 0.00 179.97 178.98 1veh n PRO 28 N -4.56 0.72 -0.04 0.20 -0.04 -1.26 -2.84 135.00 127.18 1veh n PRO 28 Ca -0.10 0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.16 1veh n PRO 28 Cb 0.47 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 1veh n PRO 28 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1veh n THR 29 N -1.02 1.69 -0.14 0.52 -1.04 -1.19 -4.16 114.28 108.94 1veh n THR 29 Ca 0.17 -0.60 -0.10 0.00 -2.04 0.00 0.00 64.05 61.49 1veh n THR 29 Cb 0.09 -1.67 -0.01 0.00 -1.82 0.00 0.00 70.33 66.92 1veh n THR 29 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1veh h VAL 30 N -0.02 1.24 -0.80 12.58 2.07 -1.35 -2.94 116.25 127.02 1veh h VAL 30 Ca -0.47 -0.84 0.16 0.00 0.82 0.00 0.00 66.70 66.37 1veh h VAL 30 Cb 1.96 1.00 -0.15 0.00 -1.52 0.00 0.00 31.29 32.58 1veh h VAL 30 CO 0.02 0.29 -0.21 1.56 0.02 0.00 0.00 177.57 179.25 1veh h GLN 31 N 0.53 -0.01 -0.96 1.57 4.20 -1.43 1.54 115.11 120.55 1veh h GLN 31 Ca 0.13 0.00 0.25 0.00 0.06 0.00 0.00 58.65 59.09 1veh h GLN 31 Cb 0.35 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 1veh h GLN 31 CO 0.01 -0.01 0.65 0.93 -0.67 0.00 0.00 178.83 179.74 1veh h GLU 32 N -0.01 0.23 0.00 1.46 5.08 -1.68 -2.77 114.58 116.90 1veh h GLU 32 Ca 0.38 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1veh h GLU 32 Cb 0.59 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1veh h GLU 32 CO -0.83 0.15 -0.04 0.22 -1.00 0.00 0.00 179.01 177.51 1veh h ASP 33 N 0.24 0.00 0.00 1.42 3.58 0.19 -3.49 116.42 118.35 1veh h ASP 33 Ca 0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.94 1veh h ASP 33 Cb 1.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.58 1veh h ASP 33 CO -0.13 0.19 0.00 0.61 -2.88 0.00 0.00 179.24 177.02 1veh n GLY 34 N 1.87 -1.31 0.00 -0.78 0.00 0.11 -5.02 105.19 100.05 1veh n GLY 34 Ca -0.01 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1veh n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1veh n GLY 35 N 0.00 0.46 2.67 -0.02 0.00 -1.22 -3.52 105.19 103.56 1veh n GLY 35 Ca 0.00 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.85 1veh n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1veh s ASP 36 N 0.00 1.94 -0.35 1.61 1.11 -1.26 -2.65 116.67 117.08 1veh s ASP 36 Ca 0.00 -0.35 -0.21 0.00 0.18 0.00 0.00 52.55 52.17 1veh s ASP 36 Cb 0.00 -0.29 0.00 0.00 1.07 0.00 0.00 42.92 43.70 1veh s ASP 36 CO 0.00 -0.29 0.65 0.54 1.18 0.00 0.00 175.17 177.25 1veh s VAL 37 N 2.08 4.88 -0.19 -1.27 0.11 -1.26 -3.34 120.40 121.42 1veh s VAL 37 Ca 0.03 0.66 0.01 0.00 -2.93 0.00 0.00 61.98 59.75 1veh s VAL 37 Cb -0.14 -4.08 0.03 0.00 -1.53 0.00 0.00 36.38 30.66 1veh s VAL 37 CO -0.06 -0.29 -0.14 -0.63 -3.33 0.00 0.00 175.10 170.64 1veh s ILE 38 N 2.73 1.79 -0.61 7.04 1.09 -1.25 -4.80 121.20 127.19 1veh s ILE 38 Ca 0.25 -0.96 -0.27 0.00 -1.10 0.00 0.00 60.65 58.57 1veh s ILE 38 Cb -0.14 -1.75 0.03 0.00 -1.06 0.00 0.00 42.46 39.54 1veh s ILE 38 CO 0.14 0.32 1.16 -0.47 -0.10 0.00 0.00 174.94 176.00 1veh s TYR 39 N 1.36 2.57 -0.42 3.97 5.04 -1.26 -0.21 117.35 128.41 1veh s TYR 39 Ca 0.01 0.21 0.02 0.00 -2.44 0.00 0.00 57.07 54.87 1veh s TYR 39 Cb -0.15 -4.47 0.13 0.00 0.35 0.00 0.00 41.96 37.82 1veh s TYR 39 CO -0.10 -1.66 0.20 1.03 -1.34 0.00 0.00 175.55 173.68 1veh s ARG 40 N 4.94 1.27 0.00 4.97 1.81 0.31 -4.98 118.95 127.27 1veh s ARG 40 Ca 0.39 -1.89 0.00 0.00 -1.72 0.00 0.00 55.73 52.50 1veh s ARG 40 Cb -0.09 -2.44 0.00 0.00 -0.45 0.00 0.00 34.95 31.97 1veh s ARG 40 CO 0.22 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.14 1veh n GLY 41 N 3.79 2.94 2.68 -3.53 0.00 -1.26 -4.53 105.19 105.28 1veh n GLY 41 Ca 0.06 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 1veh n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1veh s PHE 42 N -0.06 -0.06 0.01 1.61 5.36 -1.26 0.25 117.98 123.84 1veh s PHE 42 Ca 0.00 -0.13 -0.00 0.00 -0.96 0.00 0.00 56.93 55.84 1veh s PHE 42 Cb 0.00 -0.55 -0.01 0.00 -0.34 0.00 0.00 43.02 42.12 1veh s PHE 42 CO 0.00 -0.62 -0.01 -2.00 -1.46 0.00 0.00 175.22 171.12 1veh s GLU 43 N 2.24 0.20 -1.44 10.12 2.12 -1.15 -4.78 118.70 126.01 1veh s GLU 43 Ca 0.06 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.01 1veh s GLU 43 Cb -0.16 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.30 1veh s GLU 43 CO -0.16 -0.03 0.00 -0.25 -0.54 0.00 0.00 175.26 174.28 1veh n ASP 44 N 2.15 -3.59 0.00 -1.70 9.92 -1.26 0.72 116.55 122.79 1veh n ASP 44 Ca -0.20 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1veh n ASP 44 Cb 0.57 -3.34 0.00 0.00 -0.64 0.00 0.00 41.12 37.71 1veh n ASP 44 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1veh n GLY 45 N -0.26 2.98 3.55 0.44 0.00 -1.26 -4.44 105.19 106.19 1veh n GLY 45 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1veh n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1veh s ILE 46 N -1.40 3.15 0.00 -0.61 -1.09 0.22 -0.75 121.20 120.73 1veh s ILE 46 Ca 0.00 0.09 -0.30 0.00 -2.23 0.00 0.00 60.65 58.21 1veh s ILE 46 Cb 0.00 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.44 1veh s ILE 46 CO 0.00 -0.39 1.17 -0.69 -1.23 0.00 0.00 174.94 173.80 1veh s VAL 47 N 10.86 4.24 -0.47 2.92 1.01 0.96 -2.94 120.40 136.98 1veh s VAL 47 Ca 0.85 1.59 -0.23 0.00 0.00 0.00 0.00 61.98 64.19 1veh s VAL 47 Cb -0.15 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.23 1veh s VAL 47 CO 0.24 0.07 0.80 -0.13 0.00 0.00 0.00 175.10 176.08 1veh s ARG 48 N 1.55 3.38 -0.00 2.72 0.52 0.14 -2.49 118.95 124.77 1veh s ARG 48 Ca 0.57 -0.16 0.04 0.00 -0.52 0.00 0.00 55.73 55.65 1veh s ARG 48 Cb -0.26 -3.96 -0.03 0.00 0.52 0.00 0.00 34.95 31.21 1veh s ARG 48 CO 0.26 -1.17 -0.10 -0.51 0.02 0.00 0.00 175.30 173.80 1veh s LEU 49 N 3.35 3.02 -0.83 2.53 2.01 0.14 0.12 118.68 129.02 1veh s LEU 49 Ca 0.29 -0.19 0.02 0.00 0.01 0.00 0.00 54.13 54.26 1veh s LEU 49 Cb -0.12 -1.72 0.29 0.00 0.01 0.00 0.00 46.19 44.64 1veh s LEU 49 CO 0.22 0.29 1.14 1.17 1.01 0.00 0.00 176.35 180.18 1veh n LYS 50 N 1.72 3.60 -3.77 1.70 4.81 0.71 0.20 118.16 127.13 1veh n LYS 50 Ca -0.16 -4.66 -0.31 0.00 -0.87 0.00 0.00 58.31 52.31 1veh n LYS 50 Cb 0.52 -2.37 -0.04 0.00 0.02 0.00 0.00 35.03 33.16 1veh n LYS 50 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1veh s LEU 51 N -2.90 4.30 -0.23 3.14 -0.00 -1.21 -3.74 118.68 118.03 1veh s LEU 51 Ca 0.38 0.46 -0.08 0.00 -0.00 0.00 0.00 54.13 54.89 1veh s LEU 51 Cb 0.13 -3.18 0.10 0.00 -0.00 0.00 0.00 46.19 43.25 1veh s LEU 51 CO 0.01 0.10 0.50 -1.58 -0.00 0.00 0.00 176.35 175.38 1veh s GLN 52 N -2.61 0.42 -0.35 1.48 0.74 -1.26 -4.88 119.66 113.20 1veh s GLN 52 Ca 0.39 1.17 0.04 0.00 0.05 0.00 0.00 55.36 57.01 1veh s GLN 52 Cb -0.12 0.48 0.17 0.00 1.10 0.00 0.00 33.01 34.63 1veh s GLN 52 CO 0.26 -0.23 0.47 0.20 -0.55 0.00 0.00 175.29 175.45 1veh s GLY 53 N 2.60 -0.62 0.27 2.59 0.00 -1.23 -3.45 107.32 107.47 1veh s GLY 53 Ca -0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 44.72 44.52 1veh s GLY 53 CO -0.15 3.16 1.68 1.48 0.00 0.00 0.00 173.10 179.26 1veh h SER 54 N 7.42 0.11 -1.08 1.64 4.64 -2.00 -3.35 113.55 120.93 1veh h SER 54 Ca 0.01 0.16 -0.36 0.00 -0.47 0.00 0.00 61.79 61.13 1veh h SER 54 Cb 1.12 0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1veh h SER 54 CO 0.19 -0.06 1.32 0.00 -0.87 0.00 0.00 176.83 177.41 1veh h THR 56 N 7.71 0.49 -6.90 0.00 1.03 -2.01 -3.47 112.91 109.77 1veh h THR 56 Ca -0.15 -1.43 -0.58 0.00 -0.01 0.00 0.00 66.41 64.24 1veh h THR 56 Cb 1.21 2.03 -0.19 0.00 -1.07 0.00 0.00 68.15 70.13 1veh h THR 56 CO 1.17 0.25 -0.92 -0.24 -0.01 0.00 0.00 175.52 175.77 1veh n SER 57 N -3.24 -0.36 -0.88 0.00 2.88 -1.26 -4.37 113.62 106.39 1veh n SER 57 Ca 0.02 -1.16 0.03 0.00 -1.33 0.00 0.00 58.87 56.42 1veh n SER 57 Cb 0.55 -2.16 -0.02 0.00 -0.75 0.00 0.00 64.21 61.84 1veh n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1veh h PRO 59 N -0.19 0.00 0.37 0.00 0.13 -2.00 -3.14 132.00 127.18 1veh h PRO 59 Ca -0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1veh h PRO 59 Cb 0.63 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.73 1veh h PRO 59 CO 0.01 0.67 -0.50 0.77 -0.23 0.00 0.00 178.00 178.72 1veh h SER 60 N 0.00 -1.43 -0.62 1.44 0.02 -1.91 1.18 113.55 112.23 1veh h SER 60 Ca -0.01 0.13 0.10 0.00 -0.84 0.00 0.00 61.79 61.17 1veh h SER 60 Cb 1.26 0.49 -0.04 0.00 0.14 0.00 0.00 62.40 64.26 1veh h SER 60 CO 0.09 -0.62 0.41 0.28 -1.14 0.00 0.00 176.83 175.85 1veh h SER 61 N -0.91 0.41 0.32 3.07 0.02 -1.72 0.68 113.55 115.43 1veh h SER 61 Ca -0.04 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1veh h SER 61 Cb 0.82 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1veh h SER 61 CO -0.13 0.25 -0.16 0.40 -1.14 0.00 0.00 176.83 176.05 1veh h ILE 62 N 0.45 0.00 0.00 3.27 2.04 -1.16 1.14 117.51 123.25 1veh h ILE 62 Ca 0.29 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1veh h ILE 62 Cb 0.52 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1veh h ILE 62 CO -0.08 0.00 0.09 0.40 0.00 0.00 0.00 178.15 178.56 1veh h ILE 63 N -0.63 0.00 0.00 -0.67 2.04 0.17 1.55 117.51 119.96 1veh h ILE 63 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1veh h ILE 63 Cb 0.33 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1veh h ILE 63 CO 0.07 0.00 -0.28 0.74 0.00 0.00 0.00 178.15 178.69 1veh h THR 64 N 0.00 0.00 0.00 -0.27 2.02 0.60 -3.33 112.91 111.93 1veh h THR 64 Ca 0.00 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1veh h THR 64 Cb 0.18 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1veh h THR 64 CO 0.00 0.00 -0.26 -0.07 0.37 0.00 0.00 175.52 175.56 1veh h LEU 65 N -0.93 0.00 -0.96 2.58 4.07 0.18 0.50 115.31 120.75 1veh h LEU 65 Ca 0.00 0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.09 1veh h LEU 65 Cb 0.28 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 41.87 1veh h LEU 65 CO 0.00 0.56 -0.43 1.17 -1.08 0.00 0.00 178.44 178.66 1veh n LYS 66 N -4.34 -0.28 0.06 1.13 0.00 0.51 0.11 118.16 115.34 1veh n LYS 66 Ca -0.04 1.47 -0.16 0.00 0.00 0.00 0.00 58.31 59.58 1veh n LYS 66 Cb 0.14 -2.18 -0.07 0.00 0.00 0.00 0.00 35.03 32.92 1veh n LYS 66 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1veh h SER 67 N 0.00 0.70 -0.94 3.14 0.02 -1.04 -2.92 113.55 112.51 1veh h SER 67 Ca 0.28 -0.56 0.19 0.00 -0.84 0.00 0.00 61.79 60.86 1veh h SER 67 Cb 0.52 -0.21 -0.08 0.00 0.14 0.00 0.00 62.40 62.77 1veh h SER 67 CO -0.94 1.36 0.60 1.23 -1.14 0.00 0.00 176.83 177.94 1veh h GLY 68 N 0.88 1.21 0.28 -3.77 0.00 0.23 -1.06 103.07 100.83 1veh h GLY 68 Ca -0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1veh h GLY 68 CO 0.18 0.00 -0.01 -2.22 0.00 0.00 0.00 176.54 174.50 1veh h ILE 69 N 0.58 1.51 -1.03 2.60 2.04 0.81 -2.96 117.51 121.07 1veh h ILE 69 Ca 0.50 -1.66 0.34 0.00 1.00 0.00 0.00 64.86 65.04 1veh h ILE 69 Cb 0.99 2.62 -0.15 0.00 -0.74 0.00 0.00 36.82 39.55 1veh h ILE 69 CO -0.24 0.42 0.59 -0.61 0.00 0.00 0.00 178.15 178.31 1veh h GLN 70 N -0.74 0.26 -0.42 2.37 -0.00 -1.04 1.30 115.11 116.83 1veh h GLN 70 Ca -0.00 -0.02 -0.11 0.00 -0.00 0.00 0.00 58.65 58.53 1veh h GLN 70 Cb 0.71 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.11 1veh h GLN 70 CO 0.00 0.17 -0.15 -0.97 0.00 0.00 0.00 178.83 177.88 1veh h ASN 71 N 0.27 0.87 -0.01 -0.69 -1.24 -1.26 -3.14 115.58 110.38 1veh h ASN 71 Ca 0.75 -0.38 0.01 0.00 0.71 0.00 0.00 56.30 57.39 1veh h ASN 71 Cb 1.81 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 40.59 1veh h ASN 71 CO -0.60 1.06 -0.27 -0.03 -1.29 0.00 0.00 177.43 176.29 1veh h MET 72 N 0.68 -0.33 -0.35 6.67 4.05 0.18 1.44 114.93 127.27 1veh h MET 72 Ca 0.10 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.57 1veh h MET 72 Cb 0.70 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.54 1veh h MET 72 CO 0.05 -0.22 -0.21 -0.11 0.23 0.00 0.00 176.91 176.66 1veh n LEU 73 N -4.01 -0.37 0.03 3.39 0.00 -0.85 0.12 117.00 115.30 1veh n LEU 73 Ca -0.04 1.27 -0.12 0.00 0.00 0.00 0.00 56.01 57.12 1veh n LEU 73 Cb 0.20 -0.40 -0.05 0.00 0.00 0.00 0.00 43.42 43.17 1veh n LEU 73 CO 0.06 -0.83 0.63 1.56 0.00 0.00 0.00 177.39 178.81 1veh h GLN 74 N 0.00 -0.44 -0.65 1.96 4.20 -1.45 1.27 115.11 119.99 1veh h GLN 74 Ca 0.06 0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.91 1veh h GLN 74 Cb 0.14 0.10 -0.12 0.00 0.30 0.00 0.00 27.48 27.90 1veh h GLN 74 CO -0.33 -0.30 -0.34 0.35 -0.67 0.00 0.00 178.83 177.55 1veh h PHE 75 N -0.46 -0.93 0.31 2.96 3.57 0.39 -2.19 116.94 120.58 1veh h PHE 75 Ca 0.07 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1veh h PHE 75 Cb 0.58 0.50 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1veh h PHE 75 CO -0.39 -0.38 -0.15 1.88 -2.23 0.00 0.00 178.31 177.04 1veh h TYR 76 N -0.13 -0.38 -3.53 0.41 -1.99 0.15 -3.42 116.97 108.08 1veh h TYR 76 Ca 0.25 -0.01 -0.67 0.00 2.00 0.00 0.00 58.73 60.30 1veh h TYR 76 Cb 0.56 0.13 -0.29 0.00 2.00 0.00 0.00 36.73 39.12 1veh h TYR 76 CO -0.67 -0.04 -0.69 0.42 -0.00 0.00 0.00 178.16 177.18 1veh s ILE 77 N -4.41 3.40 -1.92 -2.88 1.01 0.43 -4.95 121.20 111.88 1veh s ILE 77 Ca -0.14 -0.79 0.24 0.00 0.00 0.00 0.00 60.65 59.96 1veh s ILE 77 Cb 0.02 -2.71 0.64 0.00 0.01 0.00 0.00 42.46 40.43 1veh s ILE 77 CO 0.52 0.19 1.79 -0.81 0.00 0.00 0.00 174.94 176.63 1veh n PRO 78 N 4.77 0.69 -0.06 2.79 -0.04 -1.10 -3.14 135.00 138.92 1veh n PRO 78 Ca -0.16 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 1veh n PRO 78 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 1veh n PRO 78 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1veh h GLU 79 N 0.00 0.48 -7.11 0.54 4.39 -1.91 -3.44 114.58 107.53 1veh h GLU 79 Ca 0.00 -0.28 -0.55 0.00 0.34 0.00 0.00 59.36 58.87 1veh h GLU 79 Cb 0.03 0.02 0.14 0.00 -0.10 0.00 0.00 28.75 28.85 1veh h GLU 79 CO 0.00 0.87 0.50 0.08 -1.16 0.00 0.00 179.01 179.30 1veh s VAL 80 N -4.19 2.21 0.00 3.13 1.01 -1.19 -4.30 120.40 117.08 1veh s VAL 80 Ca -0.13 0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1veh s VAL 80 Cb 0.06 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1veh s VAL 80 CO 0.79 -0.03 0.00 -0.62 0.00 0.00 0.00 175.10 175.24 1veh n GLU 81 N -1.86 0.00 -3.70 2.72 1.02 0.07 -4.80 120.64 114.10 1veh n GLU 81 Ca 0.15 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.24 1veh n GLU 81 Cb 0.49 -0.91 -0.02 0.00 -0.02 0.00 0.00 31.44 30.98 1veh n GLU 81 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1veh s GLY 82 N -4.14 -0.28 0.01 0.62 0.00 -1.24 -4.86 107.32 97.42 1veh s GLY 82 Ca 0.00 0.29 0.06 0.00 0.00 0.00 0.00 44.72 45.06 1veh s GLY 82 CO 0.00 0.07 -0.15 -1.34 0.00 0.00 0.00 173.10 171.68 1veh s VAL 83 N -3.32 2.98 -0.02 1.40 -7.23 -1.26 -0.03 120.40 112.92 1veh s VAL 83 Ca 0.10 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 1veh s VAL 83 Cb -0.02 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.71 1veh s VAL 83 CO -0.00 0.41 0.02 -0.70 -0.31 0.00 0.00 175.10 174.52 1veh s GLU 84 N -1.25 -0.03 -1.14 4.82 -6.30 -1.04 -4.97 118.70 108.80 1veh s GLU 84 Ca 0.14 0.15 -0.21 0.00 -2.50 0.00 0.00 54.97 52.55 1veh s GLU 84 Cb -0.11 -0.20 0.03 0.00 0.00 0.00 0.00 34.13 33.85 1veh s GLU 84 CO 0.04 -0.14 1.69 -1.14 0.02 0.00 0.00 175.26 175.74 1veh s GLN 85 N 0.87 3.46 0.16 4.30 -0.44 -1.24 -0.69 119.66 126.09 1veh s GLN 85 Ca -0.07 -1.37 -0.31 0.00 -2.50 0.00 0.00 55.36 51.10 1veh s GLN 85 Cb -0.10 -5.38 -0.11 0.00 -1.64 0.00 0.00 33.01 25.78 1veh s GLN 85 CO -0.02 -2.62 1.71 0.14 0.50 0.00 0.00 175.29 174.99 1veh s VAL 86 N 6.16 2.43 0.21 1.34 -7.23 0.52 -4.81 120.40 119.03 1veh s VAL 86 Ca 0.55 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.90 1veh s VAL 86 Cb 0.01 -3.11 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1veh s VAL 86 CO 0.01 0.01 0.00 -0.24 -0.31 0.00 0.00 175.10 174.57 1veh n SER 87 N 4.68 0.01 0.00 4.85 2.88 -1.26 -4.31 113.62 120.47 1veh n SER 87 Ca 0.16 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1veh n SER 87 Cb 0.37 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1veh n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1veh n GLY 88 N 1.80 3.81 0.11 0.46 0.00 -1.26 -5.06 105.19 105.05 1veh n GLY 88 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 1veh n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1veh h PRO 89 N 0.00 -0.13 -6.78 1.61 0.13 -2.01 -3.45 132.00 121.37 1veh h PRO 89 Ca 0.00 0.01 -0.50 0.00 -0.87 0.00 0.00 66.00 64.64 1veh h PRO 89 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1veh h PRO 89 CO 0.00 0.36 0.07 0.45 -0.23 0.00 0.00 178.00 178.66 1veh s SER 90 N -5.64 6.52 -0.30 1.44 0.15 -1.26 -5.07 113.70 109.54 1veh s SER 90 Ca -0.12 1.07 -0.09 0.00 0.70 0.00 0.00 55.95 57.50 1veh s SER 90 Cb -0.00 -2.30 0.18 0.00 -1.71 0.00 0.00 66.02 62.19 1veh s SER 90 CO 0.47 -0.36 0.96 -0.55 1.20 0.00 0.00 173.24 174.96 1veh s SER 91 N -3.11 -0.65 0.00 5.45 0.15 -1.26 -5.18 113.70 109.09 1veh s SER 91 Ca 0.50 0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1veh s SER 91 Cb -0.10 1.48 0.00 0.00 -1.71 0.00 0.00 66.02 65.69 1veh s SER 91 CO 0.30 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.23