#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 1.37 -0.30 1.61 0.01 -1.26 -5.06 113.70 110.07 1veh s SER 2 Ca 0.00 1.18 -0.07 0.00 1.31 0.00 0.00 55.95 58.38 1veh s SER 2 Cb 0.00 -1.82 0.18 0.00 0.21 0.00 0.00 66.02 64.59 1veh s SER 2 CO 0.00 -3.91 0.84 -0.55 0.41 0.00 0.00 173.24 170.03 1veh s SER 3 N -3.13 -0.91 -0.77 2.44 0.15 -1.26 -5.01 113.70 105.21 1veh s SER 3 Ca 0.68 0.46 -0.00 0.00 0.70 0.00 0.00 55.95 57.78 1veh s SER 3 Cb -0.20 1.72 -0.00 0.00 -1.71 0.00 0.00 66.02 65.83 1veh s SER 3 CO 0.60 -0.17 0.70 0.61 1.20 0.00 0.00 173.24 176.18 1veh n GLY 4 N 5.42 -1.24 2.82 9.45 0.00 -1.26 -5.03 105.19 115.34 1veh n GLY 4 Ca -0.02 0.49 -0.17 0.00 0.00 0.00 0.00 46.02 46.32 1veh n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1veh s SER 5 N -3.02 1.04 0.20 1.61 0.01 -1.26 -4.96 113.70 107.31 1veh s SER 5 Ca 0.02 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1veh s SER 5 Cb -0.00 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1veh s SER 5 CO 0.77 -0.29 0.00 -1.54 0.41 0.00 0.00 173.24 172.59 1veh n SER 6 N 5.33 -1.79 0.00 2.44 3.41 -1.26 -5.06 113.62 116.68 1veh n SER 6 Ca -0.05 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1veh n SER 6 Cb 0.50 1.92 0.00 0.00 -0.26 0.00 0.00 64.21 66.37 1veh n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1veh n GLY 7 N -1.22 0.81 0.08 5.00 0.00 -1.26 -4.95 105.19 103.66 1veh n GLY 7 Ca 0.00 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 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 0.00 1.86 -3.15 1.61 7.64 -1.26 -5.02 113.62 115.30 1veh n SER 8 Ca 0.00 0.52 0.06 0.00 1.01 0.00 0.00 58.87 60.46 1veh n SER 8 Cb 0.00 -0.83 -0.01 0.00 -1.01 0.00 0.00 64.21 62.36 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 -2.47 0.05 -0.46 1.43 2.12 -1.26 -5.10 118.70 113.01 1veh s GLU 9 Ca -0.21 0.07 0.06 0.00 0.36 0.00 0.00 54.97 55.25 1veh s GLU 9 Cb 0.03 0.03 0.21 0.00 0.26 0.00 0.00 34.13 34.67 1veh s GLU 9 CO 0.31 -0.08 0.65 0.39 -0.54 0.00 0.00 175.26 176.00 1veh n GLU 10 N 5.21 0.57 -3.22 4.30 -0.58 -1.26 -5.14 120.64 120.51 1veh n GLU 10 Ca 0.03 -2.41 -0.26 0.00 -0.42 0.00 0.00 57.16 54.10 1veh n GLU 10 Cb 0.57 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 29.96 1veh n GLU 10 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1veh s ASP 11 N -0.42 6.35 0.33 1.62 1.47 -1.26 -5.11 116.67 119.65 1veh s ASP 11 Ca 0.32 0.64 0.02 0.00 1.18 0.00 0.00 52.55 54.72 1veh s ASP 11 Cb 0.11 -2.12 0.02 0.00 -0.34 0.00 0.00 42.92 40.59 1veh s ASP 11 CO -0.15 -0.31 0.16 0.47 0.68 0.00 0.00 175.17 176.02 1veh n ASP 12 N -1.55 2.35 0.22 2.11 9.92 -1.26 -5.00 116.55 123.35 1veh n ASP 12 Ca -0.03 -2.23 0.09 0.00 -0.53 0.00 0.00 54.79 52.09 1veh n ASP 12 Cb 0.55 0.06 0.47 0.00 -0.64 0.00 0.00 41.12 41.56 1veh n ASP 12 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1veh h GLU 13 N 0.00 0.00 -0.17 -1.24 4.39 -1.99 -2.03 114.58 113.54 1veh h GLU 13 Ca -0.23 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.33 1veh h GLU 13 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1veh h GLU 13 CO 0.37 0.26 -0.44 -0.24 -1.16 0.00 0.00 179.01 177.80 1veh h VAL 14 N 0.00 1.34 0.28 3.13 3.04 -1.99 -2.08 116.25 119.96 1veh h VAL 14 Ca -0.00 -1.70 -0.01 0.00 -1.01 0.00 0.00 66.70 63.98 1veh h VAL 14 Cb 0.71 1.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1veh h VAL 14 CO 0.03 0.52 -0.13 0.58 -1.01 0.00 0.00 177.57 177.56 1veh h VAL 15 N 0.25 0.77 -0.77 1.51 2.07 -1.90 -0.96 116.25 117.23 1veh h VAL 15 Ca -0.01 -0.32 0.19 0.00 0.82 0.00 0.00 66.70 67.38 1veh h VAL 15 Cb 1.06 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1veh h VAL 15 CO 0.10 0.07 0.53 0.00 0.02 0.00 0.00 177.57 178.28 1veh h ALA 16 N 0.14 2.44 0.38 1.67 0.00 -1.42 0.75 119.26 123.21 1veh h ALA 16 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1veh h ALA 16 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1veh h ALA 16 CO 0.06 -0.66 -0.18 1.98 0.00 0.00 0.00 179.25 180.45 1veh h MET 17 N 0.19 -0.49 -0.27 0.00 4.05 -0.74 -2.89 114.93 114.78 1veh h MET 17 Ca 0.38 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.82 1veh h MET 17 Cb 1.20 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 32.10 1veh h MET 17 CO -0.07 -0.17 0.14 0.82 0.23 0.00 0.00 176.91 177.86 1veh h ILE 18 N -0.91 1.13 -0.95 1.77 2.04 -0.08 -2.45 117.51 118.06 1veh h ILE 18 Ca -0.05 -0.34 0.23 0.00 1.00 0.00 0.00 64.86 65.70 1veh h ILE 18 Cb 0.54 0.86 -0.18 0.00 -0.74 0.00 0.00 36.82 37.31 1veh h ILE 18 CO 0.08 0.13 -0.07 0.11 0.00 0.00 0.00 178.15 178.40 1veh h LYS 19 N 0.32 0.02 0.86 2.37 1.57 0.42 0.12 116.57 122.25 1veh h LYS 19 Ca 0.09 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1veh h LYS 19 Cb 0.07 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.39 1veh h LYS 19 CO -0.01 0.01 -0.42 0.93 -0.57 0.00 0.00 179.45 179.39 1veh h GLU 20 N 0.02 -1.12 -1.74 3.15 4.39 -1.23 0.27 114.58 118.33 1veh h GLU 20 Ca 0.53 0.08 0.50 0.00 0.34 0.00 0.00 59.36 60.81 1veh h GLU 20 Cb 0.98 0.25 -0.07 0.00 -0.10 0.00 0.00 28.75 29.82 1veh h GLU 20 CO -0.92 -0.75 1.37 1.25 -1.16 0.00 0.00 179.01 178.80 1veh h LEU 21 N -1.25 0.00 0.06 1.33 6.46 -0.46 2.65 115.31 124.11 1veh h LEU 21 Ca -0.12 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.45 1veh h LEU 21 Cb 0.89 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 1veh h LEU 21 CO 0.19 0.00 -1.00 -0.07 -0.62 0.00 0.00 178.44 176.94 1veh h LEU 22 N 0.00 0.20 -0.15 2.25 -0.00 -0.36 -3.37 115.31 113.87 1veh h LEU 22 Ca 0.83 -0.80 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 1veh h LEU 22 Cb 3.55 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 44.14 1veh h LEU 22 CO -0.01 1.42 0.03 -0.78 -0.00 0.00 0.00 178.44 179.11 1veh h ASP 23 N -0.65 0.23 0.00 -0.43 3.58 0.63 0.53 116.42 120.31 1veh h ASP 23 Ca -0.23 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 56.98 1veh h ASP 23 Cb 1.45 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.44 1veh h ASP 23 CO -0.02 0.41 0.00 0.35 -2.88 0.00 0.00 179.24 177.10 1veh n THR 24 N -4.81 0.00 -2.71 2.25 -2.24 0.75 -4.37 114.28 103.15 1veh n THR 24 Ca -0.05 0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.83 1veh n THR 24 Cb 0.17 -0.40 0.07 0.00 -2.10 0.00 0.00 70.33 68.07 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 1.15 0.01 -0.78 1.74 -1.26 -4.89 116.66 112.64 1veh n ARG 25 Ca 0.00 -2.48 0.00 0.00 -0.77 0.00 0.00 57.85 54.60 1veh n ARG 25 Cb 0.00 -0.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 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 -0.27 0.12 -0.01 0.55 5.41 -1.06 -4.50 119.36 119.60 1veh n ILE 26 Ca 0.04 0.04 -0.13 0.00 1.00 0.00 0.00 62.75 63.70 1veh n ILE 26 Cb 0.82 -1.25 -0.10 0.00 -0.71 0.00 0.00 39.64 38.40 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 0.00 -0.00 0.00 0.38 2.43 -0.21 -2.76 114.38 114.22 1veh h ARG 27 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1veh h ARG 27 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1veh h ARG 27 CO 0.00 0.42 0.00 -0.35 -1.51 0.00 0.00 179.97 178.53 1veh n PRO 28 N -4.89 0.70 0.08 0.20 -0.04 -1.26 -2.26 135.00 127.53 1veh n PRO 28 Ca -0.08 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.50 1veh n PRO 28 Cb 0.22 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.04 0.48 0.01 0.52 -1.04 -1.06 -4.06 114.28 108.09 1veh n THR 29 Ca 0.17 -0.53 -0.16 0.00 -2.04 0.00 0.00 64.05 61.49 1veh n THR 29 Cb 0.10 -0.26 -0.14 0.00 -1.82 0.00 0.00 70.33 68.21 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 0.00 0.81 -0.66 12.58 2.07 -1.28 -3.36 116.25 126.40 1veh h VAL 30 Ca 0.00 -2.57 0.14 0.00 0.82 0.00 0.00 66.70 65.09 1veh h VAL 30 Cb 0.99 2.52 -0.10 0.00 -1.52 0.00 0.00 31.29 33.19 1veh h VAL 30 CO 0.00 0.73 0.13 1.56 0.02 0.00 0.00 177.57 180.01 1veh h GLN 31 N 0.04 0.23 -0.12 1.57 4.20 -1.50 0.89 115.11 120.43 1veh h GLN 31 Ca -0.34 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.39 1veh h GLN 31 Cb 2.02 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.75 1veh h GLN 31 CO 0.10 0.15 0.30 0.93 -0.67 0.00 0.00 178.83 179.64 1veh h GLU 32 N 0.24 0.00 0.00 1.46 5.08 -1.71 -1.50 114.58 118.15 1veh h GLU 32 Ca 0.36 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1veh h GLU 32 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1veh h GLU 32 CO -0.47 0.00 -0.51 0.22 -1.00 0.00 0.00 179.01 177.24 1veh h ASP 33 N 0.00 0.00 0.00 1.42 1.82 0.55 -3.50 116.42 116.71 1veh h ASP 33 Ca 0.06 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1veh h ASP 33 Cb 0.66 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.67 1veh h ASP 33 CO -0.00 0.97 0.00 0.61 -1.61 0.00 0.00 179.24 179.21 1veh n GLY 34 N 1.60 0.27 0.00 -0.78 0.00 -0.37 -4.91 105.19 101.00 1veh n GLY 34 Ca -0.14 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.79 3.61 -0.02 0.00 -1.23 -4.79 105.19 100.98 1veh n GLY 35 Ca 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 1veh n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1veh s ASP 36 N -1.38 -0.47 -0.14 1.61 2.15 -1.26 -3.19 116.67 114.00 1veh s ASP 36 Ca 0.00 0.76 -0.12 0.00 0.43 0.00 0.00 52.55 53.62 1veh s ASP 36 Cb 0.00 0.72 -0.05 0.00 -0.30 0.00 0.00 42.92 43.29 1veh s ASP 36 CO 0.00 -0.26 0.24 0.54 -0.17 0.00 0.00 175.17 175.52 1veh s VAL 37 N -0.30 5.34 -0.25 1.11 0.11 -1.26 -3.51 120.40 121.63 1veh s VAL 37 Ca 0.00 0.43 -0.03 0.00 -2.93 0.00 0.00 61.98 59.46 1veh s VAL 37 Cb -0.03 -3.55 0.08 0.00 -1.53 0.00 0.00 36.38 31.35 1veh s VAL 37 CO -0.02 0.48 0.09 -0.63 -3.33 0.00 0.00 175.10 171.69 1veh s ILE 38 N -0.11 0.33 -0.53 7.04 1.09 -1.25 -4.86 121.20 122.91 1veh s ILE 38 Ca 0.15 -0.79 -0.27 0.00 -1.10 0.00 0.00 60.65 58.64 1veh s ILE 38 Cb -0.13 -1.12 -0.02 0.00 -1.06 0.00 0.00 42.46 40.13 1veh s ILE 38 CO 0.04 -0.52 1.81 -0.47 -0.10 0.00 0.00 174.94 175.70 1veh s TYR 39 N 1.91 1.75 -0.42 3.97 5.04 -1.26 -2.23 117.35 126.13 1veh s TYR 39 Ca 0.06 0.74 0.02 0.00 -2.44 0.00 0.00 57.07 55.44 1veh s TYR 39 Cb -0.17 -4.12 0.13 0.00 0.35 0.00 0.00 41.96 38.15 1veh s TYR 39 CO -0.22 -2.43 0.21 1.03 -1.34 0.00 0.00 175.55 172.79 1veh s ARG 40 N 6.54 1.23 0.00 4.97 1.81 0.23 -4.99 118.95 128.75 1veh s ARG 40 Ca 0.70 -1.88 0.00 0.00 -1.72 0.00 0.00 55.73 52.83 1veh s ARG 40 Cb -0.15 -2.37 0.00 0.00 -0.45 0.00 0.00 34.95 31.98 1veh s ARG 40 CO 0.25 -1.12 0.00 0.41 -0.68 0.00 0.00 175.30 174.16 1veh n GLY 41 N 3.77 2.93 2.68 -3.53 0.00 -1.26 -4.58 105.19 105.20 1veh n GLY 41 Ca 0.06 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.66 -0.07 0.04 1.61 5.36 -1.26 -0.61 117.98 122.38 1veh s PHE 42 Ca 0.00 -0.14 0.02 0.00 -0.96 0.00 0.00 56.93 55.85 1veh s PHE 42 Cb 0.00 -0.55 -0.02 0.00 -0.34 0.00 0.00 43.02 42.11 1veh s PHE 42 CO 0.00 -0.64 -0.08 -1.83 -1.46 0.00 0.00 175.22 171.21 1veh s GLU 43 N 2.24 0.53 -0.08 10.12 -1.05 -1.14 -4.78 118.70 124.55 1veh s GLU 43 Ca 0.06 -0.73 -0.01 0.00 -0.15 0.00 0.00 54.97 54.14 1veh s GLU 43 Cb -0.16 -0.32 0.01 0.00 -0.44 0.00 0.00 34.13 33.22 1veh s GLU 43 CO -0.17 0.06 0.02 -0.25 0.95 0.00 0.00 175.26 175.88 1veh n ASP 44 N 1.55 -1.00 0.00 0.83 8.00 -1.26 0.13 116.55 124.80 1veh n ASP 44 Ca -0.22 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1veh n ASP 44 Cb 0.55 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1veh n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1veh n GLY 45 N -0.50 1.68 3.47 0.44 0.00 -1.26 -4.06 105.19 104.96 1veh n GLY 45 Ca 0.00 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1veh n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1veh n ILE 46 N 0.00 -0.00 -2.49 -0.61 -0.00 0.36 -3.36 119.36 113.25 1veh n ILE 46 Ca 0.00 -0.06 -0.43 0.00 -0.00 0.00 0.00 62.75 62.26 1veh n ILE 46 Cb 0.00 -0.67 -0.02 0.00 -0.00 0.00 0.00 39.64 38.95 1veh n ILE 46 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1veh s VAL 47 N 8.78 4.11 -0.40 1.39 1.01 -0.84 -2.87 120.40 131.58 1veh s VAL 47 Ca 1.31 1.16 -0.28 0.00 0.00 0.00 0.00 61.98 64.16 1veh s VAL 47 Cb -1.21 -4.39 -0.01 0.00 0.00 0.00 0.00 36.38 30.77 1veh s VAL 47 CO 0.50 -0.82 1.67 -0.13 0.00 0.00 0.00 175.10 176.32 1veh s ARG 48 N 4.54 3.32 0.00 2.72 0.52 0.22 -3.50 118.95 126.77 1veh s ARG 48 Ca 0.54 1.14 0.07 0.00 -0.52 0.00 0.00 55.73 56.96 1veh s ARG 48 Cb -0.11 -4.17 -0.02 0.00 0.52 0.00 0.00 34.95 31.17 1veh s ARG 48 CO 0.30 -1.88 -0.23 -0.51 0.02 0.00 0.00 175.30 173.00 1veh s LEU 49 N 6.67 2.09 -0.88 2.53 1.43 -0.75 0.75 118.68 130.52 1veh s LEU 49 Ca 0.71 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1veh s LEU 49 Cb -0.18 -1.15 0.29 0.00 0.03 0.00 0.00 46.19 45.18 1veh s LEU 49 CO 0.31 0.25 1.19 1.17 0.23 0.00 0.00 176.35 179.50 1veh n LYS 50 N 2.27 3.70 -3.91 1.70 4.81 -0.94 0.13 118.16 125.91 1veh n LYS 50 Ca -0.16 -4.63 -0.34 0.00 -0.87 0.00 0.00 58.31 52.32 1veh n LYS 50 Cb 0.52 -2.40 -0.05 0.00 0.02 0.00 0.00 35.03 33.13 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 -2.78 4.35 0.29 3.14 -0.00 -1.23 -3.89 118.68 118.56 1veh s LEU 51 Ca 0.36 0.36 -0.07 0.00 -0.00 0.00 0.00 54.13 54.78 1veh s LEU 51 Cb 0.11 -2.51 -0.00 0.00 -0.00 0.00 0.00 46.19 43.79 1veh s LEU 51 CO 0.04 0.29 0.45 -1.58 -0.00 0.00 0.00 176.35 175.55 1veh s GLN 52 N -1.78 1.71 -0.27 1.48 0.74 -1.26 -4.90 119.66 115.39 1veh s GLN 52 Ca 0.25 -1.54 -0.23 0.00 0.05 0.00 0.00 55.36 53.89 1veh s GLN 52 Cb -0.12 0.44 0.08 0.00 1.10 0.00 0.00 33.01 34.51 1veh s GLN 52 CO 0.16 -0.70 0.74 0.20 -0.55 0.00 0.00 175.29 175.14 1veh s GLY 53 N -3.14 -0.52 0.51 2.59 0.00 -1.26 -3.47 107.32 102.03 1veh s GLY 53 Ca 0.28 2.19 0.16 0.00 0.00 0.00 0.00 44.72 47.35 1veh s GLY 53 CO 0.15 1.93 2.14 1.76 0.00 0.00 0.00 173.10 179.07 1veh h SER 54 N 5.43 0.01 -4.28 1.64 0.02 -1.95 -3.27 113.55 111.14 1veh h SER 54 Ca -0.29 -0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.01 1veh h SER 54 Cb 1.18 -0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.31 1veh h SER 54 CO 0.08 0.02 -0.60 0.00 -1.14 0.00 0.00 176.83 175.19 1veh h THR 56 N 5.39 0.57 -0.95 0.00 1.03 -2.00 -3.49 112.91 113.46 1veh h THR 56 Ca -0.06 -1.47 0.00 0.00 -0.01 0.00 0.00 66.41 64.87 1veh h THR 56 Cb 0.89 2.02 0.00 0.00 -1.07 0.00 0.00 68.15 69.99 1veh h THR 56 CO 0.69 0.28 0.00 -0.24 -0.01 0.00 0.00 175.52 176.24 1veh n SER 57 N -3.28 -2.86 -4.85 0.00 2.88 -1.26 -4.71 113.62 99.53 1veh n SER 57 Ca 0.01 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.24 1veh n SER 57 Cb 0.55 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.49 0.75 -1.05 0.00 0.13 -1.98 -1.27 132.00 129.08 1veh h PRO 59 Ca -0.46 -0.72 0.33 0.00 -0.87 0.00 0.00 66.00 64.28 1veh h PRO 59 Cb 1.19 0.19 -0.14 0.00 0.13 0.00 0.00 31.00 32.36 1veh h PRO 59 CO 0.62 1.31 0.62 0.77 -0.23 0.00 0.00 178.00 181.08 1veh h SER 60 N 0.46 0.47 0.06 1.44 0.02 -1.98 0.65 113.55 114.68 1veh h SER 60 Ca -0.10 0.17 -0.27 0.00 -0.84 0.00 0.00 61.79 60.75 1veh h SER 60 Cb 1.59 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 64.23 1veh h SER 60 CO 0.19 -0.12 -1.43 0.28 -1.14 0.00 0.00 176.83 174.60 1veh h SER 61 N 0.30 0.21 -0.67 3.07 0.02 -1.96 -3.37 113.55 111.15 1veh h SER 61 Ca 0.73 -0.74 0.14 0.00 -0.84 0.00 0.00 61.79 61.08 1veh h SER 61 Cb 1.79 -0.07 -0.12 0.00 0.14 0.00 0.00 62.40 64.14 1veh h SER 61 CO -0.55 1.60 -0.11 -0.29 -1.14 0.00 0.00 176.83 176.33 1veh h ILE 62 N -0.53 0.36 -1.66 3.27 2.10 0.22 1.05 117.51 122.32 1veh h ILE 62 Ca -0.34 -0.01 0.48 0.00 1.08 0.00 0.00 64.86 66.07 1veh h ILE 62 Cb 1.60 0.33 -0.07 0.00 -1.09 0.00 0.00 36.82 37.59 1veh h ILE 62 CO -0.05 0.01 1.29 0.40 -1.08 0.00 0.00 178.15 178.72 1veh h ILE 63 N 0.03 0.07 -0.33 2.19 2.04 0.06 1.59 117.51 123.16 1veh h ILE 63 Ca 0.33 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.22 1veh h ILE 63 Cb 0.53 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1veh h ILE 63 CO -0.66 0.00 0.17 0.74 0.00 0.00 0.00 178.15 178.40 1veh h THR 64 N 0.00 0.99 0.00 -0.27 2.02 0.97 -0.00 112.91 116.62 1veh h THR 64 Ca 0.79 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.81 1veh h THR 64 Cb 3.37 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 70.38 1veh h THR 64 CO -0.01 0.06 -0.66 0.18 0.37 0.00 0.00 175.52 175.46 1veh n LEU 65 N -4.94 1.82 -0.41 2.58 4.32 0.50 -1.40 117.00 119.47 1veh n LEU 65 Ca 0.00 0.60 -0.08 0.00 -0.02 0.00 0.00 56.01 56.50 1veh n LEU 65 Cb 0.08 -0.89 -0.06 0.00 -1.62 0.00 0.00 43.42 40.93 1veh n LEU 65 CO 0.31 -0.34 0.50 1.17 -1.22 0.00 0.00 177.39 177.81 1veh n LYS 66 N -4.58 -0.38 0.07 3.23 4.81 0.11 0.06 118.16 121.49 1veh n LYS 66 Ca -0.12 1.50 -0.12 0.00 -0.87 0.00 0.00 58.31 58.70 1veh n LYS 66 Cb 0.34 -2.21 -0.04 0.00 0.02 0.00 0.00 35.03 33.14 1veh n LYS 66 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1veh h SER 67 N 0.00 0.46 -0.57 3.14 0.87 -1.16 -3.11 113.55 113.19 1veh h SER 67 Ca 0.21 -0.38 0.16 0.00 -1.23 0.00 0.00 61.79 60.56 1veh h SER 67 Cb 0.46 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1veh h SER 67 CO -0.94 1.18 0.56 1.23 -0.53 0.00 0.00 176.83 178.33 1veh h GLY 68 N 1.40 0.00 0.31 5.77 0.00 0.85 1.00 103.07 112.41 1veh h GLY 68 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.05 1veh h GLY 68 CO 0.16 0.00 -1.05 -2.22 0.00 0.00 0.00 176.54 173.42 1veh h ILE 69 N 0.00 1.18 -0.81 2.60 2.04 -0.35 -2.90 117.51 119.28 1veh h ILE 69 Ca 0.27 -2.34 0.19 0.00 1.00 0.00 0.00 64.86 63.97 1veh h ILE 69 Cb 1.39 2.76 -0.12 0.00 -0.74 0.00 0.00 36.82 40.10 1veh h ILE 69 CO -0.00 0.59 0.25 -0.61 0.00 0.00 0.00 178.15 178.37 1veh h GLN 70 N -0.62 0.30 -0.32 2.37 4.15 -0.81 1.55 115.11 121.72 1veh h GLN 70 Ca -0.24 -0.02 -0.17 0.00 0.77 0.00 0.00 58.65 58.99 1veh h GLN 70 Cb 1.49 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 29.11 1veh h GLN 70 CO -0.02 0.20 -0.47 -0.97 -1.93 0.00 0.00 178.83 175.64 1veh h ASN 71 N 0.31 0.96 -0.18 -0.69 -1.24 -1.33 -2.20 115.58 111.21 1veh h ASN 71 Ca 0.48 -0.48 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1veh h ASN 71 Cb 0.86 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.63 1veh h ASN 71 CO -0.54 1.27 0.05 -0.03 -1.29 0.00 0.00 177.43 176.90 1veh h MET 72 N 0.70 0.28 0.30 6.67 4.05 -0.18 0.68 114.93 127.42 1veh h MET 72 Ca 0.04 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1veh h MET 72 Cb 1.07 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.83 1veh h MET 72 CO 0.11 0.40 -0.22 -0.07 0.23 0.00 0.00 176.91 177.36 1veh h LEU 73 N 0.11 -0.58 -0.61 3.39 3.38 0.20 -1.04 115.31 120.17 1veh h LEU 73 Ca 0.06 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.19 1veh h LEU 73 Cb 0.24 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.05 1veh h LEU 73 CO -0.00 -0.32 -0.19 1.56 0.09 0.00 0.00 178.44 179.58 1veh h GLN 74 N -0.50 -0.04 -0.55 1.13 7.50 -1.44 0.49 115.11 121.69 1veh h GLN 74 Ca -0.04 0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.21 1veh h GLN 74 Cb 0.41 0.01 -0.11 0.00 0.05 0.00 0.00 27.48 27.84 1veh h GLN 74 CO 0.02 -0.02 -0.36 0.35 -1.50 0.00 0.00 178.83 177.31 1veh h PHE 75 N -0.04 -1.02 0.42 2.96 3.04 -0.65 -2.40 116.94 119.25 1veh h PHE 75 Ca 0.29 0.07 -0.02 0.00 3.98 0.00 0.00 57.97 62.29 1veh h PHE 75 Cb 0.47 0.53 0.00 0.00 2.56 0.00 0.00 35.95 39.52 1veh h PHE 75 CO -0.53 -0.39 -0.20 1.88 -2.02 0.00 0.00 178.31 177.05 1veh h TYR 76 N -0.20 -0.53 -3.46 0.41 0.05 0.25 -3.42 116.97 110.08 1veh h TYR 76 Ca 0.21 -0.01 -0.66 0.00 0.05 0.00 0.00 58.73 58.31 1veh h TYR 76 Cb 0.55 0.17 -0.28 0.00 1.01 0.00 0.00 36.73 38.19 1veh h TYR 76 CO -0.64 -0.20 -0.71 0.42 -1.05 0.00 0.00 178.16 175.98 1veh s ILE 77 N -4.75 3.43 -1.49 -2.88 1.01 0.16 -4.96 121.20 111.72 1veh s ILE 77 Ca -0.14 -0.58 0.23 0.00 0.00 0.00 0.00 60.65 60.15 1veh s ILE 77 Cb 0.02 -2.62 0.42 0.00 0.01 0.00 0.00 42.46 40.29 1veh s ILE 77 CO 0.52 0.34 1.74 -0.81 0.00 0.00 0.00 174.94 176.72 1veh n PRO 78 N 4.80 0.36 0.00 2.79 -0.04 -1.13 -3.71 135.00 138.07 1veh n PRO 78 Ca -0.17 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1veh n PRO 78 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1veh n PRO 78 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1veh n GLU 79 N -1.26 0.00 -1.13 0.54 -0.58 -1.26 -4.81 120.64 112.15 1veh n GLU 79 Ca 0.11 0.49 -0.36 0.00 -0.42 0.00 0.00 57.16 56.98 1veh n GLU 79 Cb 0.17 -1.30 0.07 0.00 -0.57 0.00 0.00 31.44 29.81 1veh n GLU 79 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1veh n VAL 80 N -1.97 0.93 0.00 2.62 3.14 -1.25 -4.51 118.33 117.30 1veh n VAL 80 Ca 0.00 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 1veh n VAL 80 Cb 0.00 -0.50 0.00 0.00 -1.06 0.00 0.00 33.84 32.28 1veh n VAL 80 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1veh n GLU 81 N -0.10 0.00 -0.98 1.45 1.02 -1.21 -4.72 120.64 116.09 1veh n GLU 81 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1veh n GLU 81 Cb 0.51 -0.69 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 1veh n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1veh n GLY 82 N 3.12 4.61 3.23 0.62 0.00 -1.26 -4.88 105.19 110.63 1veh n GLY 82 Ca 0.00 -1.54 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 1veh n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1veh s VAL 83 N -1.50 0.12 -0.09 1.61 1.01 -1.26 -1.98 120.40 118.31 1veh s VAL 83 Ca 0.00 -1.45 -0.28 0.00 0.00 0.00 0.00 61.98 60.25 1veh s VAL 83 Cb 0.00 -1.65 0.07 0.00 0.00 0.00 0.00 36.38 34.79 1veh s VAL 83 CO 0.00 -0.54 0.66 -0.70 0.00 0.00 0.00 175.10 174.52 1veh s GLU 84 N -3.94 0.98 -1.09 2.72 -6.30 -1.23 -4.91 118.70 104.93 1veh s GLU 84 Ca 0.13 0.39 -0.15 0.00 -2.50 0.00 0.00 54.97 52.84 1veh s GLU 84 Cb 0.05 0.46 0.18 0.00 0.00 0.00 0.00 34.13 34.82 1veh s GLU 84 CO -0.05 -0.27 1.26 -1.14 0.02 0.00 0.00 175.26 175.08 1veh s GLN 85 N -0.85 3.93 0.82 4.30 -0.44 -1.24 -1.80 119.66 124.39 1veh s GLN 85 Ca -0.09 -2.42 -0.10 0.00 -2.50 0.00 0.00 55.36 50.25 1veh s GLN 85 Cb -0.01 -4.91 0.09 0.00 -1.64 0.00 0.00 33.01 26.53 1veh s GLN 85 CO 0.08 -1.67 1.11 0.14 0.50 0.00 0.00 175.29 175.45 1veh s VAL 86 N 1.43 2.83 -0.30 1.34 -7.23 0.34 -4.90 120.40 113.92 1veh s VAL 86 Ca 0.37 0.27 -0.16 0.00 -1.81 0.00 0.00 61.98 60.65 1veh s VAL 86 Cb -0.05 -2.58 0.19 0.00 0.56 0.00 0.00 36.38 34.50 1veh s VAL 86 CO -0.04 -0.35 1.18 -0.55 -0.31 0.00 0.00 175.10 175.03 1veh s SER 87 N -3.09 -0.19 -0.34 4.85 0.15 -1.26 -4.11 113.70 109.71 1veh s SER 87 Ca 0.64 0.30 -0.00 0.00 0.70 0.00 0.00 55.95 57.58 1veh s SER 87 Cb -0.19 1.09 0.11 0.00 -1.71 0.00 0.00 66.02 65.31 1veh s SER 87 CO 0.56 -0.05 0.13 -0.83 1.20 0.00 0.00 173.24 174.26 1veh s GLY 88 N 1.19 1.19 -0.39 9.45 0.00 -1.26 -5.09 107.32 112.41 1veh s GLY 88 Ca -0.08 -1.87 -0.29 0.00 0.00 0.00 0.00 44.72 42.48 1veh s GLY 88 CO -0.12 1.62 1.40 2.56 0.00 0.00 0.00 173.10 178.57 1veh s PRO 89 N 1.33 3.63 0.37 2.90 0.04 -1.26 -5.00 135.00 137.01 1veh s PRO 89 Ca 0.12 1.00 0.08 0.00 0.04 0.00 0.00 61.00 62.24 1veh s PRO 89 Cb -0.19 -4.00 -0.06 0.00 0.04 0.00 0.00 34.50 30.28 1veh s PRO 89 CO -0.19 -1.50 0.01 -1.54 0.04 0.00 0.00 177.00 173.83 1veh s SER 90 N 3.78 4.04 0.13 6.66 1.04 -1.26 -5.08 113.70 123.02 1veh s SER 90 Ca 0.61 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1veh s SER 90 Cb -0.14 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.52 1veh s SER 90 CO 0.31 -0.32 0.00 -0.24 0.98 0.00 0.00 173.24 173.97 1veh n SER 91 N -0.96 0.73 -0.88 7.02 2.88 -1.26 -5.33 113.62 115.82 1veh n SER 91 Ca -0.04 0.20 0.11 0.00 -1.33 0.00 0.00 58.87 57.81 1veh n SER 91 Cb 0.64 -0.14 0.09 0.00 -0.75 0.00 0.00 64.21 64.05 1veh n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42