#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 3.81 -0.16 1.61 1.04 -1.26 -5.13 113.70 113.61 1veh s SER 2 Ca 0.00 -0.55 -0.08 0.00 0.48 0.00 0.00 55.95 55.80 1veh s SER 2 Cb 0.00 -0.53 0.06 0.00 0.10 0.00 0.00 66.02 65.65 1veh s SER 2 CO 0.00 0.20 0.37 -0.44 0.98 0.00 0.00 173.24 174.34 1veh s SER 3 N -1.97 -0.38 0.00 7.02 0.01 -1.26 -5.12 113.70 112.00 1veh s SER 3 Ca 0.17 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.24 1veh s SER 3 Cb -0.10 0.76 0.00 0.00 0.21 0.00 0.00 66.02 66.89 1veh s SER 3 CO 0.09 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1veh n GLY 4 N 4.46 -1.44 2.58 3.44 0.00 -1.26 -4.94 105.19 108.03 1veh n GLY 4 Ca -0.21 -1.58 -0.28 0.00 0.00 0.00 0.00 46.02 43.95 1veh n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1veh s SER 5 N -4.11 3.29 -0.11 1.61 1.04 -1.26 -5.01 113.70 109.15 1veh s SER 5 Ca 0.00 -1.15 -0.08 0.00 0.48 0.00 0.00 55.95 55.20 1veh s SER 5 Cb 0.00 -0.38 0.03 0.00 0.10 0.00 0.00 66.02 65.77 1veh s SER 5 CO 0.00 -0.41 0.16 -1.20 0.98 0.00 0.00 173.24 172.77 1veh n SER 6 N 5.21 -3.89 0.00 7.02 7.64 -1.26 -4.92 113.62 123.42 1veh n SER 6 Ca -0.06 1.56 0.00 0.00 1.01 0.00 0.00 58.87 61.38 1veh n SER 6 Cb 0.44 -5.28 0.00 0.00 -1.01 0.00 0.00 64.21 58.35 1veh n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1veh n GLY 7 N 1.77 0.75 3.60 0.23 0.00 -1.26 -4.95 105.19 105.33 1veh n GLY 7 Ca -0.27 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 1veh n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1veh s SER 8 N -0.22 6.66 -0.58 1.61 0.01 -1.26 -4.34 113.70 115.57 1veh s SER 8 Ca 0.00 0.50 -0.23 0.00 1.31 0.00 0.00 55.95 57.54 1veh s SER 8 Cb 0.00 -2.50 0.03 0.00 0.21 0.00 0.00 66.02 63.77 1veh s SER 8 CO 0.00 -1.02 0.62 1.21 0.41 0.00 0.00 173.24 174.45 1veh n GLU 9 N 7.20 -1.71 -2.75 12.44 0.00 -1.26 -4.95 120.64 129.61 1veh n GLU 9 Ca 0.09 1.10 -0.04 0.00 0.00 0.00 0.00 57.16 58.31 1veh n GLU 9 Cb 0.48 -2.00 0.01 0.00 0.00 0.00 0.00 31.44 29.94 1veh n GLU 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1veh n GLU 10 N -1.14 0.49 -2.51 5.31 -0.58 -1.26 -5.15 120.64 115.79 1veh n GLU 10 Ca -0.18 -1.89 -0.34 0.00 -0.42 0.00 0.00 57.16 54.34 1veh n GLU 10 Cb 0.67 -1.28 -0.03 0.00 -0.57 0.00 0.00 31.44 30.23 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 0.86 6.37 0.49 1.62 1.47 -1.26 -5.02 116.67 121.21 1veh s ASP 11 Ca 0.29 1.86 0.06 0.00 1.18 0.00 0.00 52.55 55.95 1veh s ASP 11 Cb 0.02 -2.55 0.01 0.00 -0.34 0.00 0.00 42.92 40.05 1veh s ASP 11 CO -0.06 -0.76 0.35 -0.62 0.68 0.00 0.00 175.17 174.76 1veh s ASP 12 N -2.17 4.67 0.47 2.11 2.15 -1.26 -4.97 116.67 117.68 1veh s ASP 12 Ca 0.66 -1.12 0.32 0.00 0.43 0.00 0.00 52.55 52.84 1veh s ASP 12 Cb -0.15 0.04 1.59 0.00 -0.30 0.00 0.00 42.92 44.10 1veh s ASP 12 CO 0.22 -0.90 1.97 -0.33 -0.17 0.00 0.00 175.17 175.96 1veh h GLU 13 N 0.95 0.00 0.10 4.34 5.08 -2.00 -0.97 114.58 122.08 1veh h GLU 13 Ca -0.39 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.68 1veh h GLU 13 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1veh h GLU 13 CO 0.60 0.00 -1.44 -0.24 -1.00 0.00 0.00 179.01 176.93 1veh h VAL 14 N 0.00 1.25 0.62 3.13 3.04 -2.00 -3.25 116.25 119.04 1veh h VAL 14 Ca 0.00 -2.90 -0.03 0.00 -1.01 0.00 0.00 66.70 62.76 1veh h VAL 14 Cb 0.18 2.78 0.01 0.00 -2.01 0.00 0.00 31.29 32.25 1veh h VAL 14 CO 0.00 0.83 -0.30 0.58 -1.01 0.00 0.00 177.57 177.67 1veh h VAL 15 N 0.06 0.33 -1.19 1.51 2.07 -1.56 -0.24 116.25 117.21 1veh h VAL 15 Ca -0.20 -0.19 0.34 0.00 0.82 0.00 0.00 66.70 67.47 1veh h VAL 15 Cb 1.99 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 32.06 1veh h VAL 15 CO 0.16 0.02 0.81 0.00 0.02 0.00 0.00 177.57 178.58 1veh h ALA 16 N -0.67 2.72 0.35 1.67 0.00 -1.61 0.64 119.26 122.36 1veh h ALA 16 Ca -0.09 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1veh h ALA 16 Cb 0.68 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1veh h ALA 16 CO 0.14 -1.16 -0.17 1.98 0.00 0.00 0.00 179.25 180.05 1veh h MET 17 N 0.18 -0.45 -0.23 0.00 4.05 -1.45 -3.11 114.93 113.92 1veh h MET 17 Ca 0.64 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 60.14 1veh h MET 17 Cb 2.09 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 32.95 1veh h MET 17 CO -0.20 -0.15 -0.05 0.82 0.23 0.00 0.00 176.91 177.55 1veh h ILE 18 N -0.99 0.78 -0.98 1.77 2.04 0.87 -1.21 117.51 119.78 1veh h ILE 18 Ca -0.05 -0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.08 1veh h ILE 18 Cb 0.51 0.77 -0.18 0.00 -0.74 0.00 0.00 36.82 37.17 1veh h ILE 18 CO 0.08 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.52 1veh n LYS 19 N -5.21 -0.08 0.33 2.37 5.02 0.20 0.44 118.16 121.23 1veh n LYS 19 Ca -0.02 1.48 -0.17 0.00 -2.02 0.00 0.00 58.31 57.58 1veh n LYS 19 Cb 0.14 -2.34 -0.09 0.00 -0.02 0.00 0.00 35.03 32.72 1veh n LYS 19 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1veh h GLU 20 N 0.00 -0.78 0.00 1.97 4.22 -1.16 -0.93 114.58 117.90 1veh h GLU 20 Ca 0.59 0.05 0.00 0.00 0.08 0.00 0.00 59.36 60.08 1veh h GLU 20 Cb 1.20 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1veh h GLU 20 CO -0.93 -0.51 0.28 -0.07 -2.18 0.00 0.00 179.01 175.60 1veh h LEU 21 N -0.85 0.00 0.00 1.64 3.38 0.38 2.39 115.31 122.25 1veh h LEU 21 Ca -0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1veh h LEU 21 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1veh h LEU 21 CO 0.14 0.00 -0.68 -0.07 0.09 0.00 0.00 178.44 177.92 1veh h LEU 22 N 0.00 0.00 0.00 1.67 -0.00 0.10 -3.33 115.31 113.75 1veh h LEU 22 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.88 57.51 1veh h LEU 22 Cb 0.55 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.14 1veh h LEU 22 CO 0.00 0.24 -2.39 0.47 -0.00 0.00 0.00 178.44 176.76 1veh n ASP 23 N -2.98 0.79 -0.27 -0.43 8.00 0.56 -2.38 116.55 119.85 1veh n ASP 23 Ca -0.00 -0.03 0.22 0.00 0.71 0.00 0.00 54.79 55.69 1veh n ASP 23 Cb 0.65 0.41 0.41 0.00 -0.02 0.00 0.00 41.12 42.57 1veh n ASP 23 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1veh n THR 24 N -2.96 -0.35 0.00 -3.53 -2.24 0.67 -4.32 114.28 101.56 1veh n THR 24 Ca -0.37 1.71 0.00 0.00 -2.27 0.00 0.00 64.05 63.12 1veh n THR 24 Cb 1.09 -2.69 0.00 0.00 -2.10 0.00 0.00 70.33 66.63 1veh n THR 24 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1veh n ARG 25 N -4.95 0.00 -0.04 -0.78 1.85 -1.26 -5.06 116.66 106.42 1veh n ARG 25 Ca 0.28 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 57.06 1veh n ARG 25 Cb 0.93 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 32.32 1veh n ARG 25 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1veh n ILE 26 N 0.00 0.39 0.05 8.89 5.41 -1.22 -4.38 119.36 128.51 1veh n ILE 26 Ca 0.00 -0.11 -0.20 0.00 1.00 0.00 0.00 62.75 63.44 1veh n ILE 26 Cb 0.00 -1.38 -0.15 0.00 -0.71 0.00 0.00 39.64 37.41 1veh n ILE 26 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1veh h ARG 27 N -0.19 0.31 0.00 0.38 3.08 -1.79 -3.05 114.38 113.12 1veh h ARG 27 Ca -0.18 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.35 1veh h ARG 27 Cb 1.18 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1veh h ARG 27 CO -0.09 1.25 0.00 -0.35 -1.07 0.00 0.00 179.97 179.71 1veh n PRO 28 N -4.11 0.75 -0.02 0.04 -0.04 -1.26 -1.96 135.00 128.40 1veh n PRO 28 Ca -0.14 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.31 1veh n PRO 28 Cb 0.83 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.91 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 -0.88 0.30 -0.06 0.52 -1.04 -1.22 -4.28 114.28 107.62 1veh n THR 29 Ca 0.14 0.43 0.08 0.00 -2.04 0.00 0.00 64.05 62.66 1veh n THR 29 Cb 0.06 -1.67 0.46 0.00 -1.82 0.00 0.00 70.33 67.35 1veh n THR 29 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1veh h VAL 30 N -0.20 0.99 -0.19 12.58 3.04 -1.62 0.15 116.25 131.01 1veh h VAL 30 Ca 0.00 -0.17 0.06 0.00 -1.01 0.00 0.00 66.70 65.57 1veh h VAL 30 Cb 0.17 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 1veh h VAL 30 CO 0.00 0.09 0.30 1.56 -1.01 0.00 0.00 177.57 178.51 1veh h GLN 31 N 0.50 0.00 0.00 4.17 7.50 -1.52 0.94 115.11 126.70 1veh h GLN 31 Ca 0.23 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.38 1veh h GLN 31 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.80 1veh h GLN 31 CO -0.06 0.00 0.00 1.49 -1.50 0.00 0.00 178.83 178.76 1veh h GLU 32 N 0.00 0.00 -1.06 1.46 4.81 -0.87 -3.08 114.58 115.84 1veh h GLU 32 Ca 0.09 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.69 1veh h GLU 32 Cb 0.70 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 29.72 1veh h GLU 32 CO -0.00 0.00 0.11 -3.47 -0.73 0.00 0.00 179.01 174.91 1veh n ASP 33 N -3.07 6.36 -2.93 1.04 -0.08 0.33 -4.97 116.55 113.23 1veh n ASP 33 Ca 0.02 -3.77 -0.00 0.00 -1.51 0.00 0.00 54.79 49.53 1veh n ASP 33 Cb 0.42 -0.70 -0.00 0.00 2.34 0.00 0.00 41.12 43.18 1veh n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1veh n GLY 34 N -0.76 -2.36 0.00 0.27 0.00 -1.16 -4.41 105.19 96.77 1veh n GLY 34 Ca 0.53 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 1.15 0.54 2.86 -0.02 0.00 -1.25 -2.54 105.19 105.93 1veh n GLY 35 Ca -0.03 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 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 0.63 -0.19 1.61 1.11 -0.66 -3.99 116.67 115.18 1veh s ASP 36 Ca 0.00 -0.07 0.00 0.00 0.18 0.00 0.00 52.55 52.66 1veh s ASP 36 Cb 0.00 -0.30 0.04 0.00 1.07 0.00 0.00 42.92 43.73 1veh s ASP 36 CO 0.00 -0.07 -0.08 0.54 1.18 0.00 0.00 175.17 176.74 1veh s VAL 37 N 0.88 1.43 -0.19 -1.27 0.11 -1.25 -2.48 120.40 117.62 1veh s VAL 37 Ca -0.10 -0.88 -0.00 0.00 -2.93 0.00 0.00 61.98 58.07 1veh s VAL 37 Cb -0.13 -1.56 0.05 0.00 -1.53 0.00 0.00 36.38 33.21 1veh s VAL 37 CO -0.01 0.13 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.21 1veh s ILE 38 N 1.49 1.20 -0.59 7.04 1.09 -1.26 -4.81 121.20 125.36 1veh s ILE 38 Ca -0.01 -0.80 -0.28 0.00 -1.10 0.00 0.00 60.65 58.46 1veh s ILE 38 Cb -0.16 -1.43 0.01 0.00 -1.06 0.00 0.00 42.46 39.83 1veh s ILE 38 CO -0.08 0.04 1.41 -0.47 -0.10 0.00 0.00 174.94 175.74 1veh s TYR 39 N 1.57 2.27 -0.42 3.97 5.04 -1.26 -1.20 117.35 127.33 1veh s TYR 39 Ca -0.01 0.42 0.02 0.00 -2.44 0.00 0.00 57.07 55.05 1veh s TYR 39 Cb -0.16 -4.42 0.13 0.00 0.35 0.00 0.00 41.96 37.86 1veh s TYR 39 CO -0.07 -1.98 0.20 1.03 -1.34 0.00 0.00 175.55 173.39 1veh s ARG 40 N 5.59 1.25 0.00 4.97 1.81 0.53 -4.96 118.95 128.14 1veh s ARG 40 Ca 0.50 -1.88 0.00 0.00 -1.72 0.00 0.00 55.73 52.63 1veh s ARG 40 Cb -0.10 -2.40 0.00 0.00 -0.45 0.00 0.00 34.95 32.00 1veh s ARG 40 CO 0.23 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.15 1veh n GLY 41 N 3.78 3.26 2.60 -3.53 0.00 -1.26 -4.53 105.19 105.51 1veh n GLY 41 Ca 0.06 -1.43 -0.27 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 -0.48 0.24 0.00 1.61 2.19 -1.26 0.46 117.98 120.75 1veh s PHE 42 Ca 0.00 -0.44 0.03 0.00 0.33 0.00 0.00 56.93 56.85 1veh s PHE 42 Cb 0.00 -0.74 -0.01 0.00 -1.31 0.00 0.00 43.02 40.96 1veh s PHE 42 CO 0.00 -0.58 -0.10 -1.21 1.83 0.00 0.00 175.22 175.16 1veh s GLU 43 N 2.12 0.77 -1.28 10.12 8.01 -0.99 -4.78 118.70 132.68 1veh s GLU 43 Ca 0.03 -0.41 -0.16 0.00 0.01 0.00 0.00 54.97 54.44 1veh s GLU 43 Cb -0.16 -0.74 0.16 0.00 -4.31 0.00 0.00 34.13 29.08 1veh s GLU 43 CO -0.15 0.20 0.41 -3.47 0.01 0.00 0.00 175.26 172.26 1veh n ASP 44 N 2.65 -1.52 0.00 -0.19 -0.08 -1.26 0.14 116.55 116.29 1veh n ASP 44 Ca -0.15 -0.70 0.00 0.00 -1.51 0.00 0.00 54.79 52.43 1veh n ASP 44 Cb 0.56 -1.37 0.00 0.00 2.34 0.00 0.00 41.12 42.66 1veh n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1veh n GLY 45 N -0.87 1.68 3.48 0.27 0.00 -1.12 -3.99 105.19 104.64 1veh n GLY 45 Ca 0.08 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.62 -0.61 2.08 0.37 -3.91 119.36 114.67 1veh n ILE 46 Ca 0.00 -0.04 -0.43 0.00 0.56 0.00 0.00 62.75 62.84 1veh n ILE 46 Cb 0.00 -0.61 -0.02 0.00 -0.75 0.00 0.00 39.64 38.26 1veh n ILE 46 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1veh s VAL 47 N 8.81 4.24 -0.34 1.39 1.01 -1.22 -2.34 120.40 131.94 1veh s VAL 47 Ca 1.32 1.23 -0.29 0.00 0.00 0.00 0.00 61.98 64.25 1veh s VAL 47 Cb -1.24 -4.59 -0.01 0.00 0.00 0.00 0.00 36.38 30.55 1veh s VAL 47 CO 0.50 -0.97 1.70 -0.13 0.00 0.00 0.00 175.10 176.20 1veh s ARG 48 N 4.37 3.43 0.08 2.72 0.52 0.17 -3.18 118.95 127.05 1veh s ARG 48 Ca 0.47 1.34 0.09 0.00 -0.52 0.00 0.00 55.73 57.11 1veh s ARG 48 Cb -0.08 -4.15 -0.03 0.00 0.52 0.00 0.00 34.95 31.22 1veh s ARG 48 CO 0.31 -1.75 -0.24 -0.51 0.02 0.00 0.00 175.30 173.13 1veh s LEU 49 N 6.43 2.23 -1.10 2.53 1.43 0.18 0.20 118.68 130.58 1veh s LEU 49 Ca 0.75 -0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 53.17 1veh s LEU 49 Cb -0.21 -1.11 0.30 0.00 0.03 0.00 0.00 46.19 45.20 1veh s LEU 49 CO 0.33 0.18 1.42 1.17 0.23 0.00 0.00 176.35 179.68 1veh n LYS 50 N 1.46 4.24 -2.63 1.70 4.81 -0.34 0.16 118.16 127.56 1veh n LYS 50 Ca -0.18 -4.49 -0.42 0.00 -0.87 0.00 0.00 58.31 52.35 1veh n LYS 50 Cb 0.53 -2.54 -0.03 0.00 0.02 0.00 0.00 35.03 33.01 1veh n LYS 50 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1veh s LEU 51 N -2.33 4.31 -0.29 3.14 2.96 -1.22 -3.95 118.68 121.29 1veh s LEU 51 Ca 0.31 1.68 -0.09 0.00 -0.22 0.00 0.00 54.13 55.81 1veh s LEU 51 Cb 0.02 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.28 1veh s LEU 51 CO 0.06 -0.41 0.63 -1.10 -1.32 0.00 0.00 176.35 174.21 1veh s GLN 52 N 1.59 0.56 0.00 1.98 -0.21 -1.04 -4.88 119.66 117.67 1veh s GLN 52 Ca 0.52 1.39 0.00 0.00 0.02 0.00 0.00 55.36 57.29 1veh s GLN 52 Cb -0.22 0.81 0.00 0.00 1.00 0.00 0.00 33.01 34.61 1veh s GLN 52 CO 0.23 -0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 1veh n GLY 53 N 5.44 3.72 0.39 3.09 0.00 -1.26 -1.65 105.19 114.92 1veh n GLY 53 Ca -0.11 -0.76 0.18 0.00 0.00 0.00 0.00 46.02 45.33 1veh n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1veh h SER 54 N 0.00 0.48 -4.02 1.61 0.02 -1.70 -3.45 113.55 106.49 1veh h SER 54 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1veh h SER 54 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1veh h SER 54 CO 0.00 0.19 -0.57 0.00 -1.14 0.00 0.00 176.83 175.31 1veh n THR 56 N -1.19 0.42 -0.70 0.00 5.66 -1.26 -4.64 114.28 112.56 1veh n THR 56 Ca 0.00 -0.50 -0.23 0.00 -3.05 0.00 0.00 64.05 60.27 1veh n THR 56 Cb 0.06 0.40 -0.02 0.00 -1.55 0.00 0.00 70.33 69.21 1veh n THR 56 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1veh n SER 57 N 0.66 3.69 0.00 1.09 7.64 -1.26 -4.31 113.62 121.13 1veh n SER 57 Ca 0.16 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.69 1veh n SER 57 Cb 0.37 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1veh n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1veh h PRO 59 N 0.00 0.68 0.00 0.00 0.13 -1.98 -3.03 132.00 127.79 1veh h PRO 59 Ca 0.00 -0.66 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1veh h PRO 59 Cb 0.00 0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.30 1veh h PRO 59 CO 0.00 1.26 0.00 0.45 -0.23 0.00 0.00 178.00 179.48 1veh n SER 60 N -3.87 0.00 -0.62 1.44 2.88 -1.26 0.01 113.62 112.21 1veh n SER 60 Ca -0.09 0.92 0.49 0.00 -1.33 0.00 0.00 58.87 58.86 1veh n SER 60 Cb 0.82 -0.43 0.80 0.00 -0.75 0.00 0.00 64.21 64.65 1veh n SER 60 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1veh h SER 61 N 0.00 0.03 0.06 -3.46 0.02 -1.98 1.34 113.55 109.55 1veh h SER 61 Ca 0.00 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1veh h SER 61 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1veh h SER 61 CO 0.00 -0.02 -0.03 0.40 -1.14 0.00 0.00 176.83 176.04 1veh h ILE 62 N 0.01 1.28 0.00 3.27 2.04 -1.33 0.24 117.51 123.02 1veh h ILE 62 Ca 0.87 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1veh h ILE 62 Cb 3.40 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 41.62 1veh h ILE 62 CO -0.06 0.33 0.00 -0.38 0.00 0.00 0.00 178.15 178.04 1veh n ILE 63 N -4.84 1.30 -0.10 -0.67 5.41 0.41 0.12 119.36 121.00 1veh n ILE 63 Ca -0.08 0.37 -0.19 0.00 1.00 0.00 0.00 62.75 63.85 1veh n ILE 63 Cb 0.30 -1.25 -0.09 0.00 -0.71 0.00 0.00 39.64 37.89 1veh n ILE 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1veh n THR 64 N -1.67 1.51 -0.02 1.39 -1.04 0.13 -3.64 114.28 110.94 1veh n THR 64 Ca 0.02 -0.03 -0.02 0.00 -2.04 0.00 0.00 64.05 61.97 1veh n THR 64 Cb 0.11 -2.10 -0.01 0.00 -1.82 0.00 0.00 70.33 66.51 1veh n THR 64 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1veh n LEU 65 N -4.44 0.51 -0.07 -4.42 7.99 0.83 -2.93 117.00 114.47 1veh n LEU 65 Ca -0.30 0.23 -0.02 0.00 -0.01 0.00 0.00 56.01 55.90 1veh n LEU 65 Cb 0.63 -0.58 -0.02 0.00 -0.11 0.00 0.00 43.42 43.33 1veh n LEU 65 CO 0.14 -0.47 0.50 0.11 -1.51 0.00 0.00 177.39 176.16 1veh h LYS 66 N -0.27 -0.02 -0.42 3.23 6.56 -0.02 1.49 116.57 127.12 1veh h LYS 66 Ca 0.00 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.62 1veh h LYS 66 Cb 0.20 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.83 1veh h LYS 66 CO 0.00 -0.01 0.22 1.03 -2.06 0.00 0.00 179.45 178.63 1veh h SER 67 N -0.02 0.33 -0.07 0.86 0.87 0.73 -1.15 113.55 115.10 1veh h SER 67 Ca 0.03 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1veh h SER 67 Cb 0.09 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.95 1veh h SER 67 CO -0.17 0.24 -0.45 1.23 -0.53 0.00 0.00 176.83 177.15 1veh h GLY 68 N 0.44 -1.18 0.18 5.77 0.00 -0.88 0.75 103.07 108.16 1veh h GLY 68 Ca 0.18 0.67 0.01 0.00 0.00 0.00 0.00 47.33 48.19 1veh h GLY 68 CO -0.12 -0.27 -0.51 -2.22 0.00 0.00 0.00 176.54 173.42 1veh h ILE 69 N -0.51 0.03 -0.95 2.60 2.04 0.22 -0.71 117.51 120.23 1veh h ILE 69 Ca 0.02 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.03 1veh h ILE 69 Cb 0.57 0.03 -0.16 0.00 -0.74 0.00 0.00 36.82 36.53 1veh h ILE 69 CO -0.34 0.00 -0.36 1.67 0.00 0.00 0.00 178.15 179.12 1veh n GLN 70 N -5.49 -0.21 0.23 2.37 7.27 -0.45 0.55 117.38 121.65 1veh n GLN 70 Ca -0.09 1.46 -0.17 0.00 0.07 0.00 0.00 57.00 58.27 1veh n GLN 70 Cb 0.41 -2.17 -0.09 0.00 2.41 0.00 0.00 30.24 30.80 1veh n GLN 70 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 1veh h ASN 71 N 0.00 -1.39 -0.53 1.69 -1.24 -0.01 -0.35 115.58 113.75 1veh h ASN 71 Ca 0.34 0.12 0.11 0.00 0.71 0.00 0.00 56.30 57.58 1veh h ASN 71 Cb 0.58 0.48 -0.11 0.00 0.73 0.00 0.00 38.32 40.00 1veh h ASN 71 CO -0.94 -0.62 -0.20 -0.03 -1.29 0.00 0.00 177.43 174.35 1veh h MET 72 N -0.90 -0.07 -0.01 6.67 4.05 0.99 1.10 114.93 126.76 1veh h MET 72 Ca -0.04 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1veh h MET 72 Cb 0.82 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.60 1veh h MET 72 CO -0.13 -0.05 -0.36 1.25 0.23 0.00 0.00 176.91 177.85 1veh h LEU 73 N -0.08 -1.11 -0.28 3.39 5.85 0.57 0.20 115.31 123.84 1veh h LEU 73 Ca 0.25 0.12 0.05 0.00 0.84 0.00 0.00 57.88 59.15 1veh h LEU 73 Cb 0.46 0.42 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 1veh h LEU 73 CO -0.58 -0.35 -0.04 1.56 -0.34 0.00 0.00 178.44 178.69 1veh h GLN 74 N -0.45 0.04 -0.83 1.25 4.20 -0.33 0.86 115.11 119.85 1veh h GLN 74 Ca 0.01 -0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.92 1veh h GLN 74 Cb 0.48 -0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.12 1veh h GLN 74 CO -0.24 0.03 0.18 0.35 -0.67 0.00 0.00 178.83 178.48 1veh h PHE 75 N 0.04 0.26 0.02 2.96 3.04 0.19 -2.51 116.94 120.95 1veh h PHE 75 Ca 0.14 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.14 1veh h PHE 75 Cb 0.20 0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.72 1veh h PHE 75 CO -0.25 -0.19 -0.01 1.88 -2.02 0.00 0.00 178.31 177.73 1veh h TYR 76 N 0.21 -0.03 -3.61 0.41 0.05 0.36 -3.43 116.97 110.92 1veh h TYR 76 Ca 0.50 -0.00 -0.70 0.00 0.05 0.00 0.00 58.73 58.58 1veh h TYR 76 Cb 0.95 0.01 -0.25 0.00 1.01 0.00 0.00 36.73 38.46 1veh h TYR 76 CO -0.29 0.35 -0.54 0.42 -1.05 0.00 0.00 178.16 177.05 1veh s ILE 77 N -1.98 4.44 -1.83 -2.88 -1.09 0.29 -4.93 121.20 113.22 1veh s ILE 77 Ca -0.08 -0.82 0.24 0.00 -2.23 0.00 0.00 60.65 57.76 1veh s ILE 77 Cb -0.01 -3.44 0.60 0.00 -1.58 0.00 0.00 42.46 38.03 1veh s ILE 77 CO 0.28 -0.17 1.78 -0.81 -1.23 0.00 0.00 174.94 174.80 1veh n PRO 78 N 4.96 0.63 0.15 2.79 -0.04 -1.16 -2.56 135.00 139.78 1veh n PRO 78 Ca -0.12 0.02 0.04 0.00 -0.04 0.00 0.00 63.50 63.39 1veh n PRO 78 Cb 0.46 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.00 -7.01 0.54 5.08 -1.92 -3.45 114.58 107.83 1veh h GLU 79 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 1veh h GLU 79 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1veh h GLU 79 CO 0.00 0.46 0.27 0.08 -1.00 0.00 0.00 179.01 178.82 1veh s VAL 80 N -3.06 4.54 0.00 3.13 1.01 -1.06 -2.78 120.40 122.18 1veh s VAL 80 Ca 0.04 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1veh s VAL 80 Cb 0.08 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1veh s VAL 80 CO 0.73 -0.43 0.00 -0.62 0.00 0.00 0.00 175.10 174.78 1veh n GLU 81 N -0.95 0.00 0.00 2.72 1.02 -1.25 -4.78 120.64 117.40 1veh n GLU 81 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1veh n GLU 81 Cb 0.54 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 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 3.31 3.37 3.10 0.62 0.00 -1.26 -4.93 105.19 109.41 1veh n GLY 82 Ca 0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.96 0.19 -0.11 1.61 1.01 -1.26 -3.44 120.40 117.43 1veh s VAL 83 Ca 0.00 -1.55 -0.09 0.00 0.00 0.00 0.00 61.98 60.34 1veh s VAL 83 Cb 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 35.09 1veh s VAL 83 CO 0.00 -0.86 0.29 -1.61 0.00 0.00 0.00 175.10 172.92 1veh s GLU 84 N -3.58 0.32 -1.16 2.72 8.01 -1.19 -4.91 118.70 118.91 1veh s GLU 84 Ca 0.04 0.45 -0.11 0.00 0.01 0.00 0.00 54.97 55.36 1veh s GLU 84 Cb 0.05 0.10 0.23 0.00 -4.31 0.00 0.00 34.13 30.20 1veh s GLU 84 CO -0.09 -0.07 1.31 0.94 0.01 0.00 0.00 175.26 177.36 1veh n GLN 85 N 3.24 3.54 -1.74 1.61 0.00 -1.23 -0.64 117.38 122.16 1veh n GLN 85 Ca -0.16 -4.18 -0.42 0.00 -0.00 0.00 0.00 57.00 52.25 1veh n GLN 85 Cb 0.57 -2.76 -0.02 0.00 0.00 0.00 0.00 30.24 28.03 1veh n GLN 85 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1veh n VAL 86 N 3.38 1.10 -3.82 1.69 0.24 0.43 -4.77 118.33 116.59 1veh n VAL 86 Ca 0.30 -0.27 -0.02 0.00 -2.04 0.00 0.00 64.34 62.30 1veh n VAL 86 Cb 0.40 -1.91 0.00 0.00 -1.47 0.00 0.00 33.84 30.86 1veh n VAL 86 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1veh s SER 87 N 0.42 -0.06 0.00 -1.34 1.04 -1.26 -4.16 113.70 108.34 1veh s SER 87 Ca 0.64 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1veh s SER 87 Cb -0.51 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1veh s SER 87 CO 0.50 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1veh n GLY 88 N -0.61 5.54 2.64 7.32 0.00 -1.26 -5.01 105.19 113.80 1veh n GLY 88 Ca -0.04 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 1veh n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1veh n PRO 89 N 0.00 2.55 -3.26 1.61 -0.04 -1.26 -4.66 135.00 129.93 1veh n PRO 89 Ca 0.00 -1.93 -0.04 0.00 -0.04 0.00 0.00 63.50 61.49 1veh n PRO 89 Cb 0.00 -2.78 -0.05 0.00 -0.04 0.00 0.00 33.50 30.63 1veh n PRO 89 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1veh s SER 90 N 3.34 -0.38 -0.29 3.54 0.01 -1.26 -5.14 113.70 113.52 1veh s SER 90 Ca 0.53 0.28 -0.21 0.00 1.31 0.00 0.00 55.95 57.85 1veh s SER 90 Cb 0.14 1.50 0.17 0.00 0.21 0.00 0.00 66.02 68.04 1veh s SER 90 CO -0.02 -0.30 1.22 -0.44 0.41 0.00 0.00 173.24 174.11 1veh s SER 91 N 2.66 -0.24 0.00 2.44 0.01 -1.26 -5.08 113.70 112.23 1veh s SER 91 Ca 0.14 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.82 1veh s SER 91 Cb -0.14 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1veh s SER 91 CO -0.21 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 173.98