#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 -0.03 0.45 1.61 1.04 -1.26 -5.08 113.70 110.42 1veh s SER 2 Ca 0.00 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1veh s SER 2 Cb 0.00 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1veh s SER 2 CO 0.00 -0.10 0.00 -1.20 0.98 0.00 0.00 173.24 172.92 1veh n SER 3 N 3.86 -7.37 0.00 7.02 7.64 -1.26 -5.07 113.62 118.44 1veh n SER 3 Ca -0.23 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1veh n SER 3 Cb 0.53 -3.90 0.00 0.00 -1.01 0.00 0.00 64.21 59.83 1veh n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1veh n GLY 4 N -1.05 0.82 2.45 0.23 0.00 -1.26 -5.13 105.19 101.24 1veh n GLY 4 Ca 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 46.02 43.94 1veh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1veh n SER 5 N 0.04 -2.04 -3.82 1.61 2.88 -1.26 -5.01 113.62 106.02 1veh n SER 5 Ca 0.00 1.33 -0.30 0.00 -1.33 0.00 0.00 58.87 58.57 1veh n SER 5 Cb 0.00 -4.91 -0.15 0.00 -0.75 0.00 0.00 64.21 58.40 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 -0.60 4.22 1.20 -3.46 1.04 -1.26 -5.03 113.70 109.81 1veh s SER 6 Ca -0.22 -1.91 -0.10 0.00 0.48 0.00 0.00 55.95 54.20 1veh s SER 6 Cb 0.01 -1.12 0.15 0.00 0.10 0.00 0.00 66.02 65.17 1veh s SER 6 CO 0.59 -0.39 0.35 0.61 0.98 0.00 0.00 173.24 175.39 1veh n GLY 7 N 4.52 -3.79 3.85 7.32 0.00 -1.26 -5.06 105.19 110.77 1veh n GLY 7 Ca 0.01 -1.26 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.45 4.59 -1.13 1.61 0.01 -1.26 -5.00 113.70 110.06 1veh s SER 8 Ca 0.27 -1.18 -0.22 0.00 1.31 0.00 0.00 55.95 56.13 1veh s SER 8 Cb -0.05 0.08 -0.09 0.00 0.21 0.00 0.00 66.02 66.17 1veh s SER 8 CO 0.23 -0.88 1.92 -0.62 0.41 0.00 0.00 173.24 174.30 1veh n GLU 9 N -1.56 1.66 -3.49 12.44 -0.58 -1.26 -4.73 120.64 123.12 1veh n GLU 9 Ca -0.02 -2.42 -0.28 0.00 -0.42 0.00 0.00 57.16 54.02 1veh n GLU 9 Cb 0.64 -3.60 -0.11 0.00 -0.57 0.00 0.00 31.44 27.80 1veh n GLU 9 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1veh s GLU 10 N 6.15 1.01 0.17 3.49 0.41 -1.26 -5.11 118.70 123.55 1veh s GLU 10 Ca 0.66 -2.03 -0.30 0.00 -0.41 0.00 0.00 54.97 52.89 1veh s GLU 10 Cb 0.02 -1.67 -0.07 0.00 -1.78 0.00 0.00 34.13 30.63 1veh s GLU 10 CO 0.13 -1.31 0.96 0.16 -0.49 0.00 0.00 175.26 174.70 1veh s ASP 11 N 0.18 7.56 0.00 -0.19 1.47 -1.26 -5.05 116.67 119.38 1veh s ASP 11 Ca 0.27 1.87 0.00 0.00 1.18 0.00 0.00 52.55 55.87 1veh s ASP 11 Cb -0.06 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 39.92 1veh s ASP 11 CO -0.13 0.03 0.00 -0.67 0.68 0.00 0.00 175.17 175.09 1veh n ASP 12 N 2.18 1.52 0.19 2.11 2.03 -1.26 -4.99 116.55 118.34 1veh n ASP 12 Ca 0.00 -0.72 0.09 0.00 0.52 0.00 0.00 54.79 54.69 1veh n ASP 12 Cb 0.48 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 41.00 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 0.04 -0.67 4.39 -1.99 -2.46 114.58 113.89 1veh h GLU 13 Ca 0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 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 0.16 -0.95 -0.24 -1.16 0.00 0.00 179.01 176.82 1veh h VAL 14 N 0.00 1.34 0.59 3.13 3.04 -1.99 -2.91 116.25 119.44 1veh h VAL 14 Ca -0.00 -2.27 -0.03 0.00 -1.01 0.00 0.00 66.70 63.39 1veh h VAL 14 Cb 1.12 2.58 0.01 0.00 -2.01 0.00 0.00 31.29 32.99 1veh h VAL 14 CO 0.02 0.68 -0.28 0.58 -1.01 0.00 0.00 177.57 177.56 1veh h VAL 15 N 0.16 0.10 -1.30 1.51 2.07 -1.95 -1.35 116.25 115.49 1veh h VAL 15 Ca -0.13 -0.42 0.41 0.00 0.82 0.00 0.00 66.70 67.38 1veh h VAL 15 Cb 1.64 0.14 -0.12 0.00 -1.52 0.00 0.00 31.29 31.43 1veh h VAL 15 CO 0.18 0.02 0.85 0.00 0.02 0.00 0.00 177.57 178.64 1veh h ALA 16 N -1.09 2.72 0.50 1.67 0.00 -1.57 1.42 119.26 122.90 1veh h ALA 16 Ca -0.08 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1veh h ALA 16 Cb 0.63 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1veh h ALA 16 CO 0.13 -1.30 -0.24 1.98 0.00 0.00 0.00 179.25 179.82 1veh h MET 17 N 0.13 -0.64 -0.02 0.00 4.05 -1.32 -2.85 114.93 114.28 1veh h MET 17 Ca 0.78 0.04 0.01 0.00 -0.28 0.00 0.00 59.70 60.25 1veh h MET 17 Cb 2.44 0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 33.37 1veh h MET 17 CO -0.36 -0.39 -0.04 0.82 0.23 0.00 0.00 176.91 177.17 1veh h ILE 18 N -1.14 0.90 -0.97 1.77 2.04 0.46 -2.01 117.51 118.55 1veh h ILE 18 Ca -0.07 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.03 1veh h ILE 18 Cb 0.55 0.90 -0.18 0.00 -0.74 0.00 0.00 36.82 37.34 1veh h ILE 18 CO 0.11 0.00 -0.06 0.11 0.00 0.00 0.00 178.15 178.31 1veh h LYS 19 N -0.06 0.01 0.60 2.37 1.79 0.17 0.48 116.57 121.93 1veh h LYS 19 Ca 0.02 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 1veh h LYS 19 Cb 0.09 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1veh h LYS 19 CO -0.06 0.01 -0.29 1.49 -1.08 0.00 0.00 179.45 179.53 1veh h GLU 20 N 0.01 -0.77 -0.55 3.15 4.81 -1.13 1.19 114.58 121.29 1veh h GLU 20 Ca 0.55 0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.99 1veh h GLU 20 Cb 1.03 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1veh h GLU 20 CO -0.93 -0.51 0.81 1.25 -0.73 0.00 0.00 179.01 178.90 1veh h LEU 21 N -0.84 0.00 0.13 1.64 6.46 -0.38 3.05 115.31 125.38 1veh h LEU 21 Ca -0.08 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.34 1veh h LEU 21 Cb 0.61 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1veh h LEU 21 CO 0.13 0.00 -1.76 -0.07 -0.62 0.00 0.00 178.44 176.12 1veh h LEU 22 N 0.00 0.43 -0.39 2.25 -0.00 0.63 -3.36 115.31 114.86 1veh h LEU 22 Ca 0.26 -0.90 -0.18 0.00 -0.00 0.00 0.00 57.88 57.06 1veh h LEU 22 Cb 1.88 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 42.40 1veh h LEU 22 CO -0.00 1.77 -0.65 0.44 -0.00 0.00 0.00 178.44 179.99 1veh h ASP 23 N -0.08 0.67 0.00 -0.43 5.19 1.11 0.54 116.42 123.42 1veh h ASP 23 Ca -0.38 -0.40 0.00 0.00 -0.62 0.00 0.00 57.03 55.63 1veh h ASP 23 Cb 1.94 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 41.25 1veh h ASP 23 CO 0.08 1.15 0.00 0.35 -3.12 0.00 0.00 179.24 177.70 1veh n THR 24 N -3.92 0.00 -2.73 0.35 -2.24 0.91 -4.45 114.28 102.20 1veh n THR 24 Ca -0.04 0.36 -0.04 0.00 -2.27 0.00 0.00 64.05 62.05 1veh n THR 24 Cb 0.67 -0.75 0.07 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.01 -0.78 1.74 -1.26 -4.82 116.66 112.95 1veh n ARG 25 Ca 0.00 -2.84 -0.02 0.00 -0.77 0.00 0.00 57.85 54.23 1veh n ARG 25 Cb 0.00 -0.96 -0.01 0.00 -1.02 0.00 0.00 32.46 30.48 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 -0.57 0.80 -0.02 0.55 5.41 -1.13 -4.32 119.36 120.09 1veh n ILE 26 Ca 0.02 0.20 -0.13 0.00 1.00 0.00 0.00 62.75 63.85 1veh n ILE 26 Cb 0.83 -1.62 -0.09 0.00 -0.71 0.00 0.00 39.64 38.05 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 -0.11 0.08 0.00 0.38 2.43 -0.19 -1.89 114.38 115.08 1veh h ARG 27 Ca -0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1veh h ARG 27 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1veh h ARG 27 CO -0.02 0.56 0.00 -0.35 -1.51 0.00 0.00 179.97 178.65 1veh n PRO 28 N -4.78 0.30 -0.07 0.20 -0.04 -1.26 -3.23 135.00 126.12 1veh n PRO 28 Ca -0.08 0.07 -0.07 0.00 -0.04 0.00 0.00 63.50 63.38 1veh n PRO 28 Cb 0.28 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.21 1veh n PRO 28 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1veh h THR 29 N 0.00 0.28 -0.97 0.52 2.02 -1.71 -3.36 112.91 109.70 1veh h THR 29 Ca 0.00 -1.30 0.25 0.00 0.77 0.00 0.00 66.41 66.12 1veh h THR 29 Cb 0.23 0.62 -0.13 0.00 -1.74 0.00 0.00 68.15 67.13 1veh h THR 29 CO 0.00 0.09 0.53 0.58 0.37 0.00 0.00 175.52 177.09 1veh h VAL 30 N -1.00 0.49 -0.53 3.16 2.07 -1.38 0.62 116.25 119.68 1veh h VAL 30 Ca -0.06 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.38 1veh h VAL 30 Cb 0.58 -0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 30.20 1veh h VAL 30 CO -0.04 0.09 -0.37 1.56 0.02 0.00 0.00 177.57 178.83 1veh h GLN 31 N 0.50 -0.21 -1.48 1.57 4.20 -1.59 0.68 115.11 118.79 1veh h GLN 31 Ca 0.63 0.01 0.45 0.00 0.06 0.00 0.00 58.65 59.80 1veh h GLN 31 Cb 1.22 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.95 1veh h GLN 31 CO -0.51 -0.14 1.01 0.93 -0.67 0.00 0.00 178.83 179.46 1veh h GLU 32 N -0.21 0.06 0.26 1.46 5.08 -1.00 0.76 114.58 120.99 1veh h GLU 32 Ca 0.20 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1veh h GLU 32 Cb 0.56 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1veh h GLU 32 CO -0.65 0.04 -0.13 0.22 -1.00 0.00 0.00 179.01 177.50 1veh h ASP 33 N 0.06 -0.30 0.00 1.42 3.58 0.33 -3.48 116.42 118.03 1veh h ASP 33 Ca 0.80 0.01 0.00 0.00 0.42 0.00 0.00 57.03 58.26 1veh h ASP 33 Cb 2.82 0.08 0.00 0.00 1.72 0.00 0.00 39.33 43.95 1veh h ASP 33 CO -0.23 -0.06 0.00 0.61 -2.88 0.00 0.00 179.24 176.69 1veh n GLY 34 N 0.40 -1.15 3.61 -0.78 0.00 0.26 -5.09 105.19 102.44 1veh n GLY 34 Ca -0.04 0.36 -0.02 0.00 0.00 0.00 0.00 46.02 46.32 1veh n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1veh s GLY 35 N 0.00 -0.33 -0.31 -0.02 0.00 -1.25 -1.66 107.32 103.75 1veh s GLY 35 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 44.72 46.03 1veh s GLY 35 CO 0.00 0.39 0.00 0.51 0.00 0.00 0.00 173.10 174.00 1veh s ASP 36 N -2.47 4.80 -0.23 1.64 -4.77 -1.03 -3.51 116.67 111.10 1veh s ASP 36 Ca 0.12 -1.53 -0.09 0.00 -3.30 0.00 0.00 52.55 47.75 1veh s ASP 36 Cb 0.02 -1.67 -0.04 0.00 -1.09 0.00 0.00 42.92 40.13 1veh s ASP 36 CO -0.04 -0.30 0.11 0.68 0.70 0.00 0.00 175.17 176.32 1veh s VAL 37 N 1.15 4.84 -0.04 2.11 -7.23 -1.26 -3.23 120.40 116.74 1veh s VAL 37 Ca -0.02 -0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.13 1veh s VAL 37 Cb -0.20 -3.25 0.03 0.00 0.56 0.00 0.00 36.38 33.52 1veh s VAL 37 CO -0.03 0.36 0.05 -0.63 -0.31 0.00 0.00 175.10 174.54 1veh s ILE 38 N 1.14 -0.09 -0.60 -0.62 1.09 -1.24 -4.79 121.20 116.09 1veh s ILE 38 Ca 0.06 0.37 -0.28 0.00 -1.10 0.00 0.00 60.65 59.70 1veh s ILE 38 Cb -0.14 -0.14 0.02 0.00 -1.06 0.00 0.00 42.46 41.14 1veh s ILE 38 CO 0.04 0.16 1.37 -0.47 -0.10 0.00 0.00 174.94 175.95 1veh s TYR 39 N 1.90 2.30 -0.43 3.97 5.04 -1.26 0.77 117.35 129.64 1veh s TYR 39 Ca 0.02 0.38 0.02 0.00 -2.44 0.00 0.00 57.07 55.04 1veh s TYR 39 Cb -0.12 -4.44 0.13 0.00 0.35 0.00 0.00 41.96 37.87 1veh s TYR 39 CO -0.03 -1.95 0.21 1.03 -1.34 0.00 0.00 175.55 173.47 1veh s ARG 40 N 5.55 1.37 0.00 4.97 1.81 0.57 -4.95 118.95 128.26 1veh s ARG 40 Ca 0.48 -2.00 0.00 0.00 -1.72 0.00 0.00 55.73 52.49 1veh s ARG 40 Cb -0.10 -2.55 0.00 0.00 -0.45 0.00 0.00 34.95 31.85 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 3.68 3.21 2.66 -3.53 0.00 -1.24 -4.56 105.19 105.40 1veh n GLY 41 Ca 0.06 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.55 0.02 0.01 1.61 5.36 -1.26 0.62 117.98 123.79 1veh s PHE 42 Ca 0.00 -0.18 0.01 0.00 -0.96 0.00 0.00 56.93 55.80 1veh s PHE 42 Cb 0.00 -0.59 -0.01 0.00 -0.34 0.00 0.00 43.02 42.08 1veh s PHE 42 CO 0.00 -0.59 -0.03 -1.21 -1.46 0.00 0.00 175.22 171.93 1veh s GLU 43 N 2.21 0.27 -0.51 10.12 2.02 -1.14 -4.79 118.70 126.87 1veh s GLU 43 Ca 0.05 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.70 1veh s GLU 43 Cb -0.16 -0.11 0.00 0.00 0.10 0.00 0.00 34.13 33.97 1veh s GLU 43 CO -0.13 0.02 0.00 -0.25 0.02 0.00 0.00 175.26 174.91 1veh n ASP 44 N 2.37 -2.08 0.00 -0.19 8.00 -1.26 0.49 116.55 123.88 1veh n ASP 44 Ca -0.17 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1veh n ASP 44 Cb 0.57 -1.95 0.00 0.00 -0.02 0.00 0.00 41.12 39.73 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 -0.48 1.86 3.49 0.44 0.00 -1.26 -4.21 105.19 105.02 1veh n GLY 45 Ca -0.06 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.01 -2.25 -0.61 2.08 0.18 -2.80 119.36 115.95 1veh n ILE 46 Ca 0.00 -0.18 -0.42 0.00 0.56 0.00 0.00 62.75 62.71 1veh n ILE 46 Cb 0.00 -1.05 -0.03 0.00 -0.75 0.00 0.00 39.64 37.82 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 9.32 3.68 -0.37 1.39 1.01 -0.78 -2.89 120.40 131.76 1veh s VAL 47 Ca 1.25 0.61 -0.28 0.00 0.00 0.00 0.00 61.98 63.55 1veh s VAL 47 Cb -1.03 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 31.19 1veh s VAL 47 CO 0.46 -0.90 1.71 -0.13 0.00 0.00 0.00 175.10 176.25 1veh s ARG 48 N 5.68 3.33 0.22 2.72 0.52 0.20 -3.09 118.95 128.53 1veh s ARG 48 Ca 0.62 1.24 0.08 0.00 -0.52 0.00 0.00 55.73 57.15 1veh s ARG 48 Cb -0.14 -4.17 -0.04 0.00 0.52 0.00 0.00 34.95 31.12 1veh s ARG 48 CO 0.27 -1.87 0.04 -0.51 0.02 0.00 0.00 175.30 173.26 1veh s LEU 49 N 6.74 3.40 -0.76 2.53 1.02 -0.12 0.21 118.68 131.71 1veh s LEU 49 Ca 0.74 -0.43 0.03 0.00 0.02 0.00 0.00 54.13 54.49 1veh s LEU 49 Cb -0.19 -1.99 0.27 0.00 0.02 0.00 0.00 46.19 44.29 1veh s LEU 49 CO 0.32 0.04 0.95 1.17 0.02 0.00 0.00 176.35 178.85 1veh n LYS 50 N -0.59 3.07 -3.00 1.70 4.81 0.23 0.21 118.16 124.59 1veh n LYS 50 Ca -0.08 -4.64 -0.37 0.00 -0.87 0.00 0.00 58.31 52.35 1veh n LYS 50 Cb 0.57 -2.33 -0.06 0.00 0.02 0.00 0.00 35.03 33.23 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 -2.56 4.38 0.17 3.14 2.96 -1.22 -3.73 118.68 121.81 1veh s LEU 51 Ca 0.37 1.56 -0.23 0.00 -0.22 0.00 0.00 54.13 55.61 1veh s LEU 51 Cb 0.12 -3.66 0.07 0.00 0.50 0.00 0.00 46.19 43.21 1veh s LEU 51 CO 0.02 0.03 0.63 -1.58 -1.32 0.00 0.00 176.35 174.14 1veh s GLN 52 N -1.88 1.32 0.00 1.98 0.74 -1.20 -4.88 119.66 115.74 1veh s GLN 52 Ca 0.44 -0.53 0.00 0.00 0.05 0.00 0.00 55.36 55.32 1veh s GLN 52 Cb -0.18 0.58 0.00 0.00 1.10 0.00 0.00 33.01 34.51 1veh s GLN 52 CO 0.22 -0.58 0.00 0.41 -0.55 0.00 0.00 175.29 174.79 1veh n GLY 53 N -0.38 2.08 0.21 2.59 0.00 -1.26 -2.46 105.19 105.96 1veh n GLY 53 Ca -0.15 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.61 1veh n GLY 53 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1veh h SER 54 N 0.00 0.00 0.00 1.61 0.87 -1.70 -3.46 113.55 110.86 1veh h SER 54 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1veh h SER 54 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1veh h SER 54 CO 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 1veh n THR 56 N 0.00 0.29 0.00 0.00 5.66 -1.26 -4.94 114.28 114.03 1veh n THR 56 Ca 0.00 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1veh n THR 56 Cb 0.00 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 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 -2.06 0.00 -3.56 1.09 7.64 0.36 -4.47 113.62 112.62 1veh n SER 57 Ca -0.08 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.64 1veh n SER 57 Cb 0.51 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 1veh n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1veh n PRO 59 N 0.85 0.14 0.07 0.00 -0.04 -1.26 -1.22 135.00 133.54 1veh n PRO 59 Ca -0.19 0.24 -0.14 0.00 -0.04 0.00 0.00 63.50 63.37 1veh n PRO 59 Cb 0.58 -1.71 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 1veh n PRO 59 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1veh h SER 60 N 0.00 0.28 0.79 3.54 0.87 -1.95 -2.70 113.55 114.38 1veh h SER 60 Ca 0.00 -0.34 -0.17 0.00 -1.23 0.00 0.00 61.79 60.05 1veh h SER 60 Cb 0.48 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1veh h SER 60 CO 0.00 1.28 -1.31 -1.28 -0.53 0.00 0.00 176.83 174.99 1veh h SER 61 N 0.05 0.00 0.40 6.23 0.87 -1.88 -3.14 113.55 116.08 1veh h SER 61 Ca -0.15 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1veh h SER 61 Cb 1.94 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.91 1veh h SER 61 CO 0.16 0.61 -0.19 0.40 -0.53 0.00 0.00 176.83 177.29 1veh h ILE 62 N 0.00 0.31 0.00 2.23 2.04 -1.25 1.38 117.51 122.22 1veh h ILE 62 Ca -0.15 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1veh h ILE 62 Cb 1.60 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1veh h ILE 62 CO 0.05 0.07 0.00 -0.38 0.00 0.00 0.00 178.15 177.89 1veh n ILE 63 N -5.15 1.32 -0.12 -0.67 5.41 -1.02 0.11 119.36 119.25 1veh n ILE 63 Ca -0.09 0.46 -0.23 0.00 1.00 0.00 0.00 62.75 63.89 1veh n ILE 63 Cb 0.27 -1.40 -0.10 0.00 -0.71 0.00 0.00 39.64 37.70 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 -1.83 1.52 -0.03 1.39 -1.04 -1.09 -3.83 114.28 109.37 1veh n THR 64 Ca 0.01 -0.14 -0.02 0.00 -2.04 0.00 0.00 64.05 61.86 1veh n THR 64 Cb 0.09 -2.02 -0.01 0.00 -1.82 0.00 0.00 70.33 66.57 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 -4.38 0.61 -0.10 -4.42 7.99 0.47 -2.96 117.00 114.21 1veh n LEU 65 Ca -0.38 0.25 -0.03 0.00 -0.01 0.00 0.00 56.01 55.83 1veh n LEU 65 Cb 0.73 -0.60 -0.03 0.00 -0.11 0.00 0.00 43.42 43.41 1veh n LEU 65 CO 0.12 -0.46 0.50 0.50 -1.51 0.00 0.00 177.39 176.54 1veh h LYS 66 N -0.32 -0.02 -0.26 3.23 3.64 0.51 0.89 116.57 124.24 1veh h LYS 66 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1veh h LYS 66 Cb 0.24 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1veh h LYS 66 CO 0.00 -0.01 0.08 1.03 -2.27 0.00 0.00 179.45 178.28 1veh h SER 67 N -0.02 0.08 -1.04 4.20 0.87 0.54 0.46 113.55 118.64 1veh h SER 67 Ca 0.04 0.03 0.29 0.00 -1.23 0.00 0.00 61.79 60.92 1veh h SER 67 Cb 0.12 0.03 -0.13 0.00 -0.44 0.00 0.00 62.40 61.98 1veh h SER 67 CO -0.24 0.08 0.62 1.23 -0.53 0.00 0.00 176.83 177.99 1veh h GLY 68 N 0.20 1.76 1.04 5.77 0.00 -0.90 0.27 103.07 111.22 1veh h GLY 68 Ca 0.12 -0.25 -0.33 0.00 0.00 0.00 0.00 47.33 46.86 1veh h GLY 68 CO -0.13 -0.31 -1.57 -2.22 0.00 0.00 0.00 176.54 172.31 1veh h ILE 69 N 0.42 1.13 -1.04 2.60 2.04 0.17 -2.57 117.51 120.26 1veh h ILE 69 Ca 0.68 -2.59 0.26 0.00 1.00 0.00 0.00 64.86 64.21 1veh h ILE 69 Cb 1.54 2.91 -0.10 0.00 -0.74 0.00 0.00 36.82 40.44 1veh h ILE 69 CO -0.47 0.82 0.66 1.56 0.00 0.00 0.00 178.15 180.72 1veh h GLN 70 N 0.08 0.41 0.00 2.37 4.20 0.32 0.40 115.11 122.90 1veh h GLN 70 Ca -0.29 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1veh h GLN 70 Cb 2.10 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.78 1veh h GLN 70 CO 0.22 0.27 -0.07 -0.91 -0.67 0.00 0.00 178.83 177.67 1veh h ASN 71 N 0.42 0.00 -0.99 1.46 2.35 -1.06 -3.14 115.58 114.62 1veh h ASN 71 Ca 0.60 0.00 0.39 0.00 -0.55 0.00 0.00 56.30 56.74 1veh h ASN 71 Cb 1.46 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 39.65 1veh h ASN 71 CO -0.32 0.44 0.44 0.80 -1.65 0.00 0.00 177.43 177.14 1veh n MET 72 N -4.21 -0.06 0.48 0.81 1.56 -0.94 0.19 117.12 114.95 1veh n MET 72 Ca -0.01 1.39 -0.19 0.00 -0.27 0.00 0.00 57.70 58.62 1veh n MET 72 Cb 0.04 -2.44 -0.09 0.00 2.15 0.00 0.00 33.22 32.88 1veh n MET 72 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1veh h LEU 73 N 0.00 -1.03 -2.01 -0.89 3.38 -0.35 0.83 115.31 115.24 1veh h LEU 73 Ca 0.80 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.79 1veh h LEU 73 Cb 2.05 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 43.07 1veh h LEU 73 CO -0.79 -0.70 -0.06 1.56 0.09 0.00 0.00 178.44 178.54 1veh h GLN 74 N -1.30 0.00 0.38 1.13 4.20 -0.15 0.24 115.11 119.61 1veh h GLN 74 Ca -0.12 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1veh h GLN 74 Cb 0.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1veh h GLN 74 CO 0.20 0.06 -0.18 0.35 -0.67 0.00 0.00 178.83 178.59 1veh h PHE 75 N 0.00 -0.48 0.10 2.96 3.04 0.24 -3.28 116.94 119.53 1veh h PHE 75 Ca -0.00 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1veh h PHE 75 Cb 0.13 0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.79 1veh h PHE 75 CO 0.00 -0.16 -0.05 1.88 -2.02 0.00 0.00 178.31 177.96 1veh h TYR 76 N -0.80 -0.13 -3.36 0.41 0.05 -0.53 -3.42 116.97 109.20 1veh h TYR 76 Ca -0.05 -0.00 -0.66 0.00 0.05 0.00 0.00 58.73 58.07 1veh h TYR 76 Cb 0.53 0.04 -0.28 0.00 1.01 0.00 0.00 36.73 38.03 1veh h TYR 76 CO 0.01 0.29 -0.74 0.42 -1.05 0.00 0.00 178.16 177.10 1veh s ILE 77 N -4.32 3.24 -0.88 -2.88 1.01 0.81 -4.97 121.20 113.21 1veh s ILE 77 Ca -0.15 -0.54 0.23 0.00 0.00 0.00 0.00 60.65 60.18 1veh s ILE 77 Cb 0.02 -2.46 0.21 0.00 0.01 0.00 0.00 42.46 40.24 1veh s ILE 77 CO 0.61 0.44 1.71 -0.81 0.00 0.00 0.00 174.94 176.89 1veh n PRO 78 N 4.66 0.07 0.00 2.79 -0.04 -1.24 -3.65 135.00 137.59 1veh n PRO 78 Ca -0.18 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1veh n PRO 78 Cb 0.51 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.72 0.00 -1.23 0.54 -0.58 -1.26 -4.75 120.64 111.64 1veh n GLU 79 Ca 0.05 0.36 -0.37 0.00 -0.42 0.00 0.00 57.16 56.77 1veh n GLU 79 Cb 0.28 -1.34 0.04 0.00 -0.57 0.00 0.00 31.44 29.85 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 -1.57 0.96 0.00 2.62 3.14 -1.25 -4.21 118.33 118.01 1veh n VAL 80 Ca 0.00 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 1veh n VAL 80 Cb 0.00 -0.38 0.00 0.00 -1.06 0.00 0.00 33.84 32.40 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 0.55 0.00 -0.59 1.45 1.02 -1.12 -4.68 120.64 117.27 1veh n GLU 81 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1veh n GLU 81 Cb 0.50 -0.92 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 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 3.30 3.18 3.14 0.62 0.00 -1.26 -4.89 105.19 109.27 1veh n GLY 82 Ca 0.00 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.54 0.83 0.12 1.61 1.01 -1.26 -1.87 120.40 118.31 1veh s VAL 83 Ca 0.00 -1.38 -0.15 0.00 0.00 0.00 0.00 61.98 60.45 1veh s VAL 83 Cb 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1veh s VAL 83 CO 0.00 -0.43 0.38 -1.61 0.00 0.00 0.00 175.10 173.44 1veh s GLU 84 N -2.17 1.05 -0.65 2.72 0.41 -1.18 -4.92 118.70 113.96 1veh s GLU 84 Ca -0.01 -0.74 -0.01 0.00 -0.41 0.00 0.00 54.97 53.80 1veh s GLU 84 Cb -0.07 0.46 0.17 0.00 -1.78 0.00 0.00 34.13 32.91 1veh s GLU 84 CO 0.00 -0.40 0.46 -1.14 -0.49 0.00 0.00 175.26 173.69 1veh s GLN 85 N -3.81 2.56 0.34 1.61 -0.44 -1.25 -0.94 119.66 117.73 1veh s GLN 85 Ca 0.03 -2.72 -0.27 0.00 -2.50 0.00 0.00 55.36 49.90 1veh s GLN 85 Cb 0.02 -3.67 -0.13 0.00 -1.64 0.00 0.00 33.01 27.60 1veh s GLN 85 CO -0.12 -1.18 1.03 1.33 0.50 0.00 0.00 175.29 176.84 1veh n VAL 86 N 3.13 2.11 -1.84 1.34 0.24 0.55 -3.59 118.33 120.27 1veh n VAL 86 Ca 0.10 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.34 61.88 1veh n VAL 86 Cb 0.36 -1.10 0.01 0.00 -1.47 0.00 0.00 33.84 31.65 1veh n VAL 86 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1veh n SER 87 N 0.97 -3.02 0.00 -1.34 2.88 -1.26 -4.59 113.62 107.25 1veh n SER 87 Ca 0.09 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1veh n SER 87 Cb 0.35 -1.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 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 -1.33 1.14 3.79 0.46 0.00 -1.24 -5.02 105.19 102.98 1veh n GLY 88 Ca -0.01 0.51 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 1veh n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1veh s PRO 89 N 0.00 1.19 0.32 1.61 0.04 -1.26 -4.95 135.00 131.95 1veh s PRO 89 Ca 0.00 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1veh s PRO 89 Cb 0.00 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1veh s PRO 89 CO 0.00 -2.17 0.00 0.45 0.04 0.00 0.00 177.00 175.32 1veh n SER 90 N -3.75 -2.86 0.10 6.66 2.88 -1.26 -5.05 113.62 110.34 1veh n SER 90 Ca 0.07 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1veh n SER 90 Cb 0.59 2.80 0.00 0.00 -0.75 0.00 0.00 64.21 66.86 1veh n SER 90 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1veh n SER 91 N -3.17 0.35 0.00 -3.46 7.64 -1.26 -5.34 113.62 108.38 1veh n SER 91 Ca 0.00 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1veh n SER 91 Cb 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1veh n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64