#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wql n GLN 4 N 0.00 2.32 -4.09 0.00 7.27 -1.25 -4.82 117.38 116.81 2wql n GLN 4 Ca 0.00 0.82 -0.10 0.00 0.07 0.00 0.00 57.00 57.80 2wql n GLN 4 Cb 0.00 -2.51 -0.09 0.00 2.41 0.00 0.00 30.24 30.05 2wql n GLN 4 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2wql s SER 5 N 0.21 0.20 -0.11 1.69 1.04 -1.26 -1.13 113.70 114.34 2wql s SER 5 Ca 0.63 -1.11 -0.23 0.00 0.48 0.00 0.00 55.95 55.71 2wql s SER 5 Cb -0.57 0.35 0.05 0.00 0.10 0.00 0.00 66.02 65.96 2wql s SER 5 CO 0.53 -0.80 0.56 -2.28 0.98 0.00 0.00 173.24 172.23 2wql s HIS 6 N -4.03 -0.55 0.12 5.02 5.04 0.17 -4.99 115.29 116.06 2wql s HIS 6 Ca 0.23 1.10 0.08 0.00 -1.54 0.00 0.00 55.06 54.94 2wql s HIS 6 Cb 0.06 0.27 -0.04 0.00 0.04 0.00 0.00 32.58 32.91 2wql s HIS 6 CO 0.02 -0.45 -0.19 -1.54 -2.34 0.00 0.00 174.74 170.24 2wql s SER 7 N -0.66 2.50 -0.04 9.88 1.04 -1.26 -0.44 113.70 124.72 2wql s SER 7 Ca -0.07 -0.74 0.02 0.00 0.48 0.00 0.00 55.95 55.63 2wql s SER 7 Cb -0.03 -0.14 0.02 0.00 0.10 0.00 0.00 66.02 65.97 2wql s SER 7 CO 0.05 0.01 -0.07 -0.22 0.98 0.00 0.00 173.24 173.99 2wql s LEU 8 N -2.15 1.51 -0.08 2.42 2.96 -0.25 -5.00 118.68 118.09 2wql s LEU 8 Ca 0.09 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.87 2wql s LEU 8 Cb -0.08 -0.56 -0.01 0.00 0.50 0.00 0.00 46.19 46.04 2wql s LEU 8 CO 0.05 -0.01 -0.24 -1.61 -1.32 0.00 0.00 176.35 173.22 2wql s GLU 9 N 0.69 2.77 -0.11 1.98 2.02 -1.26 -1.02 118.70 123.76 2wql s GLU 9 Ca -0.11 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.00 2wql s GLU 9 Cb -0.14 -2.23 0.02 0.00 0.10 0.00 0.00 34.13 31.88 2wql s GLU 9 CO 0.01 0.30 -0.14 0.42 0.02 0.00 0.00 175.26 175.87 2wql s ILE 10 N 0.04 1.46 0.13 -1.63 1.01 -0.47 -4.97 121.20 116.77 2wql s ILE 10 Ca -0.10 -0.60 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 2wql s ILE 10 Cb -0.15 -1.35 -0.07 0.00 0.01 0.00 0.00 42.46 40.90 2wql s ILE 10 CO 0.06 0.43 0.54 -0.89 0.00 0.00 0.00 174.94 175.08 2wql s THR 11 N 1.13 4.87 -0.01 2.92 2.01 -1.26 -1.06 115.64 124.23 2wql s THR 11 Ca -0.04 0.84 -0.08 0.00 0.31 0.00 0.00 61.69 62.72 2wql s THR 11 Cb -0.14 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.63 2wql s THR 11 CO -0.04 0.28 0.16 -0.55 -0.69 0.00 0.00 174.62 173.79 2wql s SER 12 N -1.65 -0.03 0.07 3.53 0.15 -0.51 -5.00 113.70 110.26 2wql s SER 12 Ca 0.36 -0.10 0.27 0.00 0.70 0.00 0.00 55.95 57.18 2wql s SER 12 Cb -0.15 0.24 0.84 0.00 -1.71 0.00 0.00 66.02 65.24 2wql s SER 12 CO 0.19 -0.34 1.69 -1.54 1.20 0.00 0.00 173.24 174.44 2wql n SER 13 N 1.63 0.41 -4.80 5.45 3.41 -1.26 -1.25 113.62 117.21 2wql n SER 13 Ca -0.21 0.30 -0.34 0.00 -0.26 0.00 0.00 58.87 58.36 2wql n SER 13 Cb 0.56 -0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 2wql n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wql s VAL 14 N -3.05 4.04 0.76 -3.33 1.01 -1.26 -4.10 120.40 114.47 2wql s VAL 14 Ca 0.11 1.36 -0.12 0.00 0.00 0.00 0.00 61.98 63.34 2wql s VAL 14 Cb 0.16 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.99 2wql s VAL 14 CO 0.61 -0.19 1.11 -0.94 0.00 0.00 0.00 175.10 175.69 2wql s SER 15 N -1.94 4.43 0.14 3.32 1.04 -1.24 -2.95 113.70 116.50 2wql s SER 15 Ca 0.62 1.94 -0.17 0.00 0.48 0.00 0.00 55.95 58.81 2wql s SER 15 Cb -0.15 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.42 2wql s SER 15 CO 0.19 -2.09 1.80 0.00 0.98 0.00 0.00 173.24 174.12 2wql h ALA 16 N -0.91 0.42 -0.52 5.32 0.00 -1.83 -1.15 119.26 120.59 2wql h ALA 16 Ca -0.44 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.50 2wql h ALA 16 Cb 1.24 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2wql h ALA 16 CO 0.51 -0.13 0.25 0.93 0.00 0.00 0.00 179.25 180.81 2wql h GLU 17 N 0.44 0.46 -0.25 0.00 5.08 -1.93 -1.77 114.58 116.61 2wql h GLU 17 Ca 0.12 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 2wql h GLU 17 Cb -0.04 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2wql h GLU 17 CO -0.03 0.31 -0.39 -0.22 -1.00 0.00 0.00 179.01 177.68 2wql h LYS 18 N 0.48 0.70 -0.16 2.33 3.64 -1.87 -2.19 116.57 119.49 2wql h LYS 18 Ca 0.23 -0.42 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2wql h LYS 18 Cb 0.17 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2wql h LYS 18 CO -0.18 1.04 0.10 0.82 -2.27 0.00 0.00 179.45 178.96 2wql h ILE 19 N 0.42 1.07 -0.82 2.00 1.08 -1.13 -2.02 117.51 118.10 2wql h ILE 19 Ca 0.02 -0.17 0.05 0.00 -0.39 0.00 0.00 64.86 64.37 2wql h ILE 19 Cb 0.98 0.89 -0.05 0.00 -3.07 0.00 0.00 36.82 35.57 2wql h ILE 19 CO 0.09 0.07 0.54 0.15 -0.69 0.00 0.00 178.15 178.30 2wql h PHE 20 N 0.19 0.94 -0.18 1.37 3.57 -1.30 0.37 116.94 121.91 2wql h PHE 20 Ca 0.06 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 2wql h PHE 20 Cb 0.02 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 2wql h PHE 20 CO -0.05 0.52 -0.35 0.66 -2.23 0.00 0.00 178.31 176.86 2wql h SER 21 N 0.95 0.39 0.07 0.41 4.64 -0.99 -1.46 113.55 117.57 2wql h SER 21 Ca 0.34 -0.15 -0.21 0.00 -0.47 0.00 0.00 61.79 61.30 2wql h SER 21 Cb 0.14 -0.11 0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2wql h SER 21 CO -0.11 0.72 -0.85 1.23 -0.87 0.00 0.00 176.83 176.94 2wql h GLY 22 N 1.10 0.50 -0.51 -0.77 0.00 -0.53 0.15 103.07 103.02 2wql h GLY 22 Ca 0.04 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.34 2wql h GLY 22 CO 0.06 0.90 -0.41 0.29 0.00 0.00 0.00 176.54 177.39 2wql n ILE 23 N -4.06 0.00 0.02 2.60 -5.35 0.01 -3.51 119.36 109.07 2wql n ILE 23 Ca -0.12 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2wql n ILE 23 Cb 0.81 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.63 2wql n ILE 23 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2wql n VAL 24 N -0.29 0.21 -0.09 7.28 0.31 -0.57 -4.79 118.33 120.38 2wql n VAL 24 Ca 0.10 0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 64.41 2wql n VAL 24 Cb 0.42 -0.77 -0.02 0.00 -0.91 0.00 0.00 33.84 32.56 2wql n VAL 24 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wql h LEU 25 N 0.00 0.39 -3.04 7.52 3.38 -1.40 -3.11 115.31 119.05 2wql h LEU 25 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2wql h LEU 25 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2wql h LEU 25 CO 0.00 0.38 0.00 0.47 0.09 0.00 0.00 178.44 179.38 2wql n ASP 26 N -4.80 3.58 -0.31 -0.43 8.00 0.51 -4.75 116.55 118.36 2wql n ASP 26 Ca -0.02 -2.39 0.16 0.00 0.71 0.00 0.00 54.79 53.25 2wql n ASP 26 Cb 0.09 -0.40 0.41 0.00 -0.02 0.00 0.00 41.12 41.20 2wql n ASP 26 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2wql h VAL 27 N 2.40 0.69 -0.01 2.53 3.04 -1.58 -0.91 116.25 122.42 2wql h VAL 27 Ca 0.00 -0.21 -0.09 0.00 -1.01 0.00 0.00 66.70 65.39 2wql h VAL 27 Cb 1.09 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.39 2wql h VAL 27 CO 0.11 0.11 -0.43 0.44 -1.01 0.00 0.00 177.57 176.79 2wql h ASP 28 N 0.61 0.02 0.47 3.17 3.32 -1.85 -1.47 116.42 120.69 2wql h ASP 28 Ca 0.53 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.43 2wql h ASP 28 Cb 1.03 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 2wql h ASP 28 CO -0.28 0.44 -1.65 0.35 -1.72 0.00 0.00 179.24 176.38 2wql n THR 29 N -4.03 0.89 -0.03 0.35 -2.24 -0.86 -4.50 114.28 103.86 2wql n THR 29 Ca -0.02 -0.66 -0.15 0.00 -2.27 0.00 0.00 64.05 60.96 2wql n THR 29 Cb 0.46 -0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 68.10 2wql n THR 29 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wql h VAL 30 N 0.00 1.51 -0.80 2.28 2.07 -1.01 -3.34 116.25 116.96 2wql h VAL 30 Ca -0.17 -1.78 0.05 0.00 0.82 0.00 0.00 66.70 65.62 2wql h VAL 30 Cb 1.49 2.59 -0.05 0.00 -1.52 0.00 0.00 31.29 33.80 2wql h VAL 30 CO 0.03 0.49 0.50 0.40 0.02 0.00 0.00 177.57 179.00 2wql h ILE 31 N -0.44 1.06 0.00 4.57 2.04 -1.50 0.18 117.51 123.42 2wql h ILE 31 Ca -0.02 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 2wql h ILE 31 Cb 0.90 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2wql h ILE 31 CO 0.04 0.17 -0.09 -0.65 0.00 0.00 0.00 178.15 177.62 2wql h PRO 32 N 0.93 0.00 0.05 2.37 0.11 -1.79 0.60 132.00 134.27 2wql h PRO 32 Ca 0.34 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.17 2wql h PRO 32 Cb 0.10 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 2wql h PRO 32 CO -0.15 0.09 -1.43 0.87 -0.21 0.00 0.00 178.00 177.17 2wql h LYS 33 N 0.00 0.10 0.10 1.05 1.57 -1.37 -3.37 116.57 114.66 2wql h LYS 33 Ca -0.00 -0.18 -0.31 0.00 -1.87 0.00 0.00 60.65 58.29 2wql h LYS 33 Cb 0.16 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2wql h LYS 33 CO 0.01 0.90 -1.64 0.00 -0.57 0.00 0.00 179.45 178.16 2wql h ALA 34 N 0.78 0.29 -2.37 3.86 0.00 -0.43 -3.41 119.26 117.99 2wql h ALA 34 Ca -0.19 -1.23 -0.60 0.00 0.00 0.00 0.00 54.91 52.89 2wql h ALA 34 Cb 1.94 0.62 -0.41 0.00 0.00 0.00 0.00 17.79 19.94 2wql h ALA 34 CO 0.13 1.01 -0.70 0.00 0.00 0.00 0.00 179.25 179.68 2wql n ALA 35 N -3.06 3.56 -0.31 0.00 0.00 0.18 -4.80 120.51 116.09 2wql n ALA 35 Ca -0.29 -4.37 0.07 0.00 0.00 0.00 0.00 53.44 48.85 2wql n ALA 35 Cb 0.93 -0.90 0.29 0.00 0.00 0.00 0.00 19.45 19.76 2wql n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wql h THR 36 N 3.34 0.95 -0.01 0.00 1.03 -1.72 -2.02 112.91 114.47 2wql h THR 36 Ca 0.17 -0.31 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 2wql h THR 36 Cb 0.74 -0.04 0.00 0.00 -1.07 0.00 0.00 68.15 67.78 2wql h THR 36 CO 0.71 0.17 -0.26 0.61 -0.01 0.00 0.00 175.52 176.74 2wql n GLY 37 N -1.39 0.08 0.22 2.99 0.00 -1.26 -4.68 105.19 101.16 2wql n GLY 37 Ca 0.16 -0.50 -0.00 0.00 0.00 0.00 0.00 46.02 45.68 2wql n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wql h ALA 38 N 3.14 0.57 -2.71 4.61 0.00 -1.73 -3.40 119.26 119.74 2wql h ALA 38 Ca 0.00 0.17 -0.67 0.00 0.00 0.00 0.00 54.91 54.42 2wql h ALA 38 Cb 0.63 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 2wql h ALA 38 CO 0.00 -0.39 -0.49 0.71 0.00 0.00 0.00 179.25 179.08 2wql s TYR 39 N -6.15 3.56 -0.01 0.00 2.02 -1.26 -4.54 117.35 110.97 2wql s TYR 39 Ca -0.13 0.48 -0.19 0.00 -0.37 0.00 0.00 57.07 56.85 2wql s TYR 39 Cb 0.18 -1.91 -0.30 0.00 -0.40 0.00 0.00 41.96 39.53 2wql s TYR 39 CO 0.73 0.71 0.99 -0.22 -1.57 0.00 0.00 175.55 176.20 2wql h LYS 40 N 4.79 0.42 -2.65 -0.62 3.64 -0.81 -3.47 116.57 117.86 2wql h LYS 40 Ca -0.54 -0.61 0.01 0.00 -1.27 0.00 0.00 60.65 58.23 2wql h LYS 40 Cb 1.22 0.21 -0.14 0.00 -0.41 0.00 0.00 32.23 33.11 2wql h LYS 40 CO 0.60 1.27 0.28 -1.54 -2.27 0.00 0.00 179.45 177.78 2wql s SER 41 N -7.09 -0.53 -0.05 4.20 1.04 -0.96 -5.02 113.70 105.30 2wql s SER 41 Ca -0.12 0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.41 2wql s SER 41 Cb 0.03 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.71 2wql s SER 41 CO 0.86 -0.82 0.04 -0.69 0.98 0.00 0.00 173.24 173.61 2wql s VAL 42 N -3.16 0.02 -0.27 5.02 1.01 -1.26 -1.80 120.40 119.96 2wql s VAL 42 Ca 0.00 0.34 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 2wql s VAL 42 Cb -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 2wql s VAL 42 CO -0.08 0.19 0.20 -1.61 0.00 0.00 0.00 175.10 173.80 2wql s GLU 43 N 2.04 3.98 -0.23 2.72 2.02 -0.51 -4.97 118.70 123.75 2wql s GLU 43 Ca 0.04 -0.27 -0.06 0.00 0.02 0.00 0.00 54.97 54.70 2wql s GLU 43 Cb -0.12 -3.63 -0.02 0.00 0.10 0.00 0.00 34.13 30.46 2wql s GLU 43 CO -0.03 -0.14 0.02 0.08 0.02 0.00 0.00 175.26 175.21 2wql s VAL 44 N 1.63 3.92 -0.41 2.63 1.01 -1.26 -0.81 120.40 127.11 2wql s VAL 44 Ca 0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 2wql s VAL 44 Cb -0.15 -2.81 0.11 0.00 0.00 0.00 0.00 36.38 33.52 2wql s VAL 44 CO 0.10 0.38 0.21 -0.54 0.00 0.00 0.00 175.10 175.24 2wql s LYS 45 N 1.52 2.07 0.00 2.72 1.02 -0.22 -5.01 119.74 121.84 2wql s LYS 45 Ca 0.06 -1.79 0.00 0.00 0.02 0.00 0.00 55.97 54.26 2wql s LYS 45 Cb -0.15 -3.60 0.00 0.00 -0.52 0.00 0.00 37.83 33.56 2wql s LYS 45 CO 0.01 -1.06 0.00 0.41 -0.92 0.00 0.00 175.35 173.79 2wql n GLY 46 N 4.63 1.39 0.56 -3.33 0.00 -1.26 -1.75 105.19 105.42 2wql n GLY 46 Ca -0.03 -2.21 0.13 0.00 0.00 0.00 0.00 46.02 43.90 2wql n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wql n ASP 47 N 0.00 1.88 0.00 1.61 5.68 -1.26 -4.93 116.55 119.54 2wql n ASP 47 Ca 0.00 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 2wql n ASP 47 Cb 0.00 0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 2wql n ASP 47 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wql n GLY 48 N 1.30 2.46 1.39 6.12 0.00 -1.26 -5.09 105.19 110.11 2wql n GLY 48 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 2wql n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wql n GLY 49 N -1.15 -0.06 3.60 -0.02 0.00 -1.26 -4.88 105.19 101.43 2wql n GLY 49 Ca 0.00 -1.87 -0.45 0.00 0.00 0.00 0.00 46.02 43.70 2wql n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wql n ALA 50 N -3.10 -0.15 0.00 4.61 0.00 -1.26 -1.68 120.51 118.93 2wql n ALA 50 Ca -0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2wql n ALA 50 Cb 0.21 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.61 2wql n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wql n GLY 51 N 1.42 1.97 3.77 0.00 0.00 0.02 -4.99 105.19 107.38 2wql n GLY 51 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2wql n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wql s THR 52 N -2.34 2.49 -0.08 2.61 2.01 -0.67 -4.80 115.64 114.85 2wql s THR 52 Ca 0.00 0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.48 2wql s THR 52 Cb 0.00 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.23 2wql s THR 52 CO 0.00 0.10 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.25 2wql s VAL 53 N -0.87 1.03 -0.17 3.82 1.01 -0.72 -0.38 120.40 124.12 2wql s VAL 53 Ca 0.53 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2wql s VAL 53 Cb -0.42 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 2wql s VAL 53 CO 0.54 0.34 -0.10 -0.13 0.00 0.00 0.00 175.10 175.75 2wql s ARG 54 N 1.01 3.36 -0.44 2.72 0.52 -0.17 -1.05 118.95 124.90 2wql s ARG 54 Ca -0.08 -0.67 -0.16 0.00 -0.52 0.00 0.00 55.73 54.30 2wql s ARG 54 Cb -0.15 -2.78 0.04 0.00 0.52 0.00 0.00 34.95 32.59 2wql s ARG 54 CO -0.00 0.03 0.38 0.42 0.02 0.00 0.00 175.30 176.15 2wql s ILE 55 N 0.85 5.19 -0.10 1.52 1.01 0.01 -1.05 121.20 128.63 2wql s ILE 55 Ca -0.03 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 2wql s ILE 55 Cb -0.15 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 2wql s ILE 55 CO 0.01 -0.46 0.00 -0.63 0.00 0.00 0.00 174.94 173.86 2wql s ILE 56 N 1.83 4.32 -0.09 2.92 1.01 0.50 -1.42 121.20 130.26 2wql s ILE 56 Ca 0.07 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.49 2wql s ILE 56 Cb -0.20 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.45 2wql s ILE 56 CO 0.10 0.58 -0.10 -0.89 0.00 0.00 0.00 174.94 174.63 2wql s THR 57 N -0.63 1.08 0.39 2.92 2.01 -0.75 -1.47 115.64 119.19 2wql s THR 57 Ca 0.10 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.77 2wql s THR 57 Cb -0.12 -1.04 -0.00 0.00 0.01 0.00 0.00 72.50 71.35 2wql s THR 57 CO 0.02 0.36 0.56 -0.76 -0.69 0.00 0.00 174.62 174.11 2wql s LEU 58 N 1.18 3.80 0.92 4.42 1.02 0.13 -0.20 118.68 129.96 2wql s LEU 58 Ca -0.05 -0.07 -0.11 0.00 0.02 0.00 0.00 54.13 53.92 2wql s LEU 58 Cb -0.14 -2.86 0.10 0.00 0.02 0.00 0.00 46.19 43.30 2wql s LEU 58 CO -0.02 -0.60 0.84 -2.65 0.02 0.00 0.00 176.35 173.94 2wql n PRO 59 N -1.84 -0.35 -0.19 1.29 -0.02 -1.26 -4.68 135.00 127.95 2wql n PRO 59 Ca 0.02 -0.04 -0.01 0.00 -2.02 0.00 0.00 63.50 61.44 2wql n PRO 59 Cb 0.58 -2.16 0.05 0.00 -0.02 0.00 0.00 33.50 31.96 2wql n PRO 59 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wql h GLU 60 N -1.68 0.00 0.00 -0.52 5.08 -1.98 -2.22 114.58 113.26 2wql h GLU 60 Ca -0.43 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2wql h GLU 60 Cb 1.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2wql h GLU 60 CO 0.39 0.00 0.00 0.78 -1.00 0.00 0.00 179.01 179.18 2wql h GLY 61 N 0.00 0.00 -2.60 -3.84 0.00 -1.99 -3.48 103.07 91.17 2wql h GLY 61 Ca 0.28 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.04 2wql h GLY 61 CO -0.60 0.00 0.09 1.44 0.00 0.00 0.00 176.54 177.46 2wql n SER 62 N -3.00 0.60 -0.28 0.19 7.64 -0.84 -4.89 113.62 113.05 2wql n SER 62 Ca 0.02 0.78 -0.01 0.00 1.01 0.00 0.00 58.87 60.68 2wql n SER 62 Cb 0.39 -1.38 0.18 0.00 -1.01 0.00 0.00 64.21 62.40 2wql n SER 62 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2wql h PRO 63 N 0.38 1.12 -4.96 1.43 0.11 -1.93 -3.35 132.00 124.80 2wql h PRO 63 Ca -0.48 -0.08 -0.66 0.00 0.11 0.00 0.00 66.00 64.88 2wql h PRO 63 Cb 1.37 -0.24 -0.27 0.00 0.11 0.00 0.00 31.00 31.97 2wql h PRO 63 CO 0.50 0.76 -0.69 0.42 -0.21 0.00 0.00 178.00 178.78 2wql s ILE 64 N -5.90 3.62 -0.14 4.15 1.01 -1.26 -4.97 121.20 117.72 2wql s ILE 64 Ca -0.12 -0.47 0.18 0.00 0.00 0.00 0.00 60.65 60.24 2wql s ILE 64 Cb 0.18 -2.70 -0.25 0.00 0.01 0.00 0.00 42.46 39.70 2wql s ILE 64 CO 0.80 0.35 0.30 0.35 0.00 0.00 0.00 174.94 176.75 2wql n THR 65 N 4.83 1.11 -3.81 2.92 -2.24 -1.26 -4.63 114.28 111.20 2wql n THR 65 Ca -0.17 -0.76 -0.13 0.00 -2.27 0.00 0.00 64.05 60.72 2wql n THR 65 Cb 0.50 -0.46 -0.13 0.00 -2.10 0.00 0.00 70.33 68.15 2wql n THR 65 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wql s THR 66 N -2.76 -0.01 -0.10 4.28 -4.23 -1.26 -0.69 115.64 110.87 2wql s THR 66 Ca -0.08 0.04 -0.11 0.00 -1.18 0.00 0.00 61.69 60.36 2wql s THR 66 Cb 0.08 -0.21 0.03 0.00 1.34 0.00 0.00 72.50 73.74 2wql s THR 66 CO 0.84 0.01 0.29 0.00 -0.54 0.00 0.00 174.62 175.23 2wql s MET 67 N 0.29 0.37 -0.19 3.99 0.00 -0.54 -2.16 119.30 121.07 2wql s MET 67 Ca -0.02 0.34 -0.02 0.00 0.00 0.00 0.00 55.69 56.00 2wql s MET 67 Cb -0.03 0.18 -0.00 0.00 0.00 0.00 0.00 34.83 34.98 2wql s MET 67 CO -0.01 -0.05 -0.11 0.99 0.00 0.00 0.00 175.02 175.84 2wql s THR 68 N 0.00 2.94 -0.12 3.16 2.01 -0.47 -0.37 115.64 122.79 2wql s THR 68 Ca -0.01 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.35 2wql s THR 68 Cb -0.02 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.21 2wql s THR 68 CO 0.01 0.48 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 2wql s VAL 69 N 1.16 1.65 -0.15 3.82 1.01 -0.22 -1.17 120.40 126.51 2wql s VAL 69 Ca 0.01 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 2wql s VAL 69 Cb -0.14 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2wql s VAL 69 CO -0.04 0.47 0.15 -0.60 0.00 0.00 0.00 175.10 175.08 2wql s ARG 70 N 0.94 3.73 -0.22 2.72 3.52 0.08 -1.00 118.95 128.71 2wql s ARG 70 Ca -0.07 -0.14 -0.23 0.00 -0.13 0.00 0.00 55.73 55.16 2wql s ARG 70 Cb -0.15 -3.27 -0.02 0.00 -1.56 0.00 0.00 34.95 29.95 2wql s ARG 70 CO -0.02 0.60 0.74 0.99 -0.81 0.00 0.00 175.30 176.80 2wql s THR 71 N -0.52 4.92 -0.09 4.11 2.01 0.48 -0.51 115.64 126.04 2wql s THR 71 Ca 0.13 1.39 0.04 0.00 0.31 0.00 0.00 61.69 63.56 2wql s THR 71 Cb -0.12 -4.04 -0.24 0.00 0.01 0.00 0.00 72.50 68.11 2wql s THR 71 CO 0.02 0.02 0.47 0.47 -0.69 0.00 0.00 174.62 174.91 2wql n ASP 72 N 5.52 1.41 -3.60 3.53 8.00 0.00 -0.80 116.55 130.62 2wql n ASP 72 Ca 0.02 0.28 -0.13 0.00 0.71 0.00 0.00 54.79 55.68 2wql n ASP 72 Cb 0.49 -0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 2wql n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wql s ALA 73 N -2.57 -1.86 -0.04 2.24 0.00 -0.98 -4.66 121.76 113.89 2wql s ALA 73 Ca -0.14 1.75 0.02 0.00 0.00 0.00 0.00 51.96 53.59 2wql s ALA 73 Cb 0.07 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.30 2wql s ALA 73 CO 0.79 -0.31 -0.08 0.08 0.00 0.00 0.00 175.76 176.24 2wql s VAL 74 N -0.27 0.73 -0.32 0.00 1.01 -1.26 -1.35 120.40 118.94 2wql s VAL 74 Ca -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2wql s VAL 74 Cb -0.03 -0.69 0.10 0.00 0.00 0.00 0.00 36.38 35.76 2wql s VAL 74 CO 0.01 0.25 0.08 0.21 0.00 0.00 0.00 175.10 175.65 2wql s ASN 75 N 0.55 4.31 0.34 3.32 3.84 -0.68 -4.97 114.94 121.64 2wql s ASN 75 Ca -0.09 -1.83 0.06 0.00 0.21 0.00 0.00 52.86 51.21 2wql s ASN 75 Cb -0.12 -1.15 0.62 0.00 -0.55 0.00 0.00 41.25 40.04 2wql s ASN 75 CO 0.01 -0.40 1.84 0.11 -2.79 0.00 0.00 177.10 175.87 2wql h LYS 76 N 7.91 0.37 0.12 0.43 1.57 -1.98 -1.24 116.57 123.75 2wql h LYS 76 Ca -0.10 -0.10 -0.28 0.00 -1.87 0.00 0.00 60.65 58.30 2wql h LYS 76 Cb 1.02 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 33.30 2wql h LYS 76 CO 0.49 0.52 -1.21 0.93 -0.57 0.00 0.00 179.45 179.61 2wql h GLU 77 N 0.34 0.46 -0.00 3.15 4.39 -1.96 -3.28 114.58 117.68 2wql h GLU 77 Ca 0.06 -0.65 0.00 0.00 0.34 0.00 0.00 59.36 59.12 2wql h GLU 77 Cb 0.48 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2wql h GLU 77 CO 0.03 1.28 -0.37 0.00 -1.16 0.00 0.00 179.01 178.79 2wql n ALA 78 N -2.61 3.27 -3.65 3.43 0.00 -1.16 -4.97 120.51 114.83 2wql n ALA 78 Ca -0.11 -0.34 -0.22 0.00 0.00 0.00 0.00 53.44 52.78 2wql n ALA 78 Cb 0.98 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 19.32 2wql n ALA 78 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wql n LEU 79 N -1.24 -3.31 -4.40 0.00 4.77 -0.49 -4.71 117.00 107.61 2wql n LEU 79 Ca 0.08 -0.73 -0.27 0.00 -0.03 0.00 0.00 56.01 55.06 2wql n LEU 79 Cb 0.33 -2.81 -0.12 0.00 -2.33 0.00 0.00 43.42 38.49 2wql n LEU 79 CO 0.31 0.44 -0.54 -0.94 -1.33 0.00 0.00 177.39 175.33 2wql s SER 80 N -4.09 3.33 -0.12 -1.43 1.04 -1.04 -1.19 113.70 110.19 2wql s SER 80 Ca 0.16 -0.83 -0.06 0.00 0.48 0.00 0.00 55.95 55.70 2wql s SER 80 Cb -0.08 -0.24 0.05 0.00 0.10 0.00 0.00 66.02 65.86 2wql s SER 80 CO 0.78 0.12 0.28 -0.47 0.98 0.00 0.00 173.24 174.93 2wql s TYR 81 N -1.53 -0.39 -0.07 5.02 5.04 0.10 -1.69 117.35 123.82 2wql s TYR 81 Ca 0.18 0.91 0.05 0.00 -2.44 0.00 0.00 57.07 55.77 2wql s TYR 81 Cb -0.08 0.07 -0.01 0.00 0.35 0.00 0.00 41.96 42.29 2wql s TYR 81 CO 0.09 -0.27 -0.25 -0.51 -1.34 0.00 0.00 175.55 173.27 2wql s ASP 82 N 1.48 3.05 0.07 4.32 1.01 -0.45 -0.08 116.67 126.07 2wql s ASP 82 Ca -0.08 -0.52 -0.19 0.00 0.71 0.00 0.00 52.55 52.47 2wql s ASP 82 Cb -0.10 -1.00 0.04 0.00 1.01 0.00 0.00 42.92 42.87 2wql s ASP 82 CO -0.09 0.22 0.45 -0.94 0.21 0.00 0.00 175.17 175.02 2wql s SER 83 N -0.01 -0.33 -0.06 0.27 1.04 -0.80 -0.82 113.70 112.99 2wql s SER 83 Ca -0.08 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.35 2wql s SER 83 Cb -0.15 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.45 2wql s SER 83 CO 0.05 -0.74 -0.11 -0.89 0.98 0.00 0.00 173.24 172.53 2wql s THR 84 N -2.82 1.03 -0.21 2.02 2.01 0.33 -0.34 115.64 117.65 2wql s THR 84 Ca -0.03 -0.43 -0.24 0.00 0.31 0.00 0.00 61.69 61.30 2wql s THR 84 Cb -0.00 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 2wql s THR 84 CO -0.05 0.33 0.80 -0.69 -0.69 0.00 0.00 174.62 174.32 2wql s VAL 85 N 0.63 4.88 -0.07 3.82 1.01 -0.10 -0.74 120.40 129.83 2wql s VAL 85 Ca -0.13 1.54 0.02 0.00 0.00 0.00 0.00 61.98 63.41 2wql s VAL 85 Cb -0.15 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 2wql s VAL 85 CO 0.03 -0.01 0.08 2.30 0.00 0.00 0.00 175.10 177.50 2wql n ILE 86 N 4.99 0.00 -3.69 2.22 -5.35 -0.32 -1.63 119.36 115.58 2wql n ILE 86 Ca 0.04 -0.31 -0.10 0.00 -0.27 0.00 0.00 62.75 62.11 2wql n ILE 86 Cb 0.48 0.81 -0.03 0.00 -1.74 0.00 0.00 39.64 39.16 2wql n ILE 86 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wql s ASP 87 N -1.59 -0.30 0.00 7.28 2.15 -1.22 -4.91 116.67 118.08 2wql s ASP 87 Ca 0.00 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.59 2wql s ASP 87 Cb 0.02 0.58 0.00 0.00 -0.30 0.00 0.00 42.92 43.21 2wql s ASP 87 CO 0.10 -1.03 0.00 0.61 -0.17 0.00 0.00 175.17 174.68 2wql n GLY 88 N -0.34 2.77 0.00 2.66 0.00 -1.26 -1.37 105.19 107.66 2wql n GLY 88 Ca -0.11 -2.07 0.07 0.00 0.00 0.00 0.00 46.02 43.91 2wql n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wql n ASP 89 N 0.00 0.01 0.11 1.61 5.68 -0.92 -1.80 116.55 121.25 2wql n ASP 89 Ca 0.00 0.50 0.16 0.00 -0.50 0.00 0.00 54.79 54.96 2wql n ASP 89 Cb 0.00 -0.50 0.71 0.00 -1.14 0.00 0.00 41.12 40.19 2wql n ASP 89 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2wql h ILE 90 N 0.00 0.73 0.00 2.12 2.10 -1.85 -1.41 117.51 119.20 2wql h ILE 90 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2wql h ILE 90 Cb 0.25 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 36.81 2wql h ILE 90 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 2wql n LEU 91 N -4.27 0.00 0.00 2.19 4.77 -0.74 -5.00 117.00 113.95 2wql n LEU 91 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2wql n LEU 91 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2wql n LEU 91 CO 0.34 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.58 2wql n LEU 92 N -0.82 0.00 0.04 2.23 4.77 -0.53 -1.73 117.00 120.96 2wql n LEU 92 Ca 0.15 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.25 2wql n LEU 92 Cb 0.07 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.46 2wql n LEU 92 CO 0.11 0.00 0.56 0.61 -1.33 0.00 0.00 177.39 177.34 2wql n GLY 93 N 0.00 -1.42 0.00 -0.72 0.00 -1.26 -4.68 105.19 97.11 2wql n GLY 93 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2wql n GLY 93 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2wql n PHE 94 N -1.84 0.00 -2.74 1.61 1.16 -1.03 -5.03 117.46 109.57 2wql n PHE 94 Ca 0.05 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.21 2wql n PHE 94 Cb 0.39 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.23 2wql n PHE 94 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2wql s ILE 95 N 0.00 4.77 0.01 1.97 1.01 -0.70 -3.13 121.20 125.13 2wql s ILE 95 Ca 0.00 1.89 -0.21 0.00 0.00 0.00 0.00 60.65 62.33 2wql s ILE 95 Cb 0.00 -4.25 -0.18 0.00 0.01 0.00 0.00 42.46 38.04 2wql s ILE 95 CO 0.00 -0.07 1.22 -0.33 0.00 0.00 0.00 174.94 175.76 2wql h GLU 96 N 7.35 0.32 -2.41 2.79 5.08 -0.53 -3.46 114.58 123.71 2wql h GLU 96 Ca -0.25 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 2wql h GLU 96 Cb 1.10 0.04 -0.16 0.00 0.50 0.00 0.00 28.75 30.23 2wql h GLU 96 CO 0.90 0.85 0.23 -1.54 -1.00 0.00 0.00 179.01 178.45 2wql s SER 97 N -6.28 -0.60 -0.38 1.42 1.04 -1.10 -4.81 113.70 102.99 2wql s SER 97 Ca -0.14 0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.62 2wql s SER 97 Cb 0.04 0.55 0.09 0.00 0.10 0.00 0.00 66.02 66.79 2wql s SER 97 CO 0.76 -0.75 0.15 -0.63 0.98 0.00 0.00 173.24 173.76 2wql s ILE 98 N -2.35 3.36 -0.18 -1.02 1.01 -0.65 -1.44 121.20 119.94 2wql s ILE 98 Ca -0.05 -1.76 -0.23 0.00 0.00 0.00 0.00 60.65 58.62 2wql s ILE 98 Cb -0.00 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 2wql s ILE 98 CO -0.01 -0.50 0.71 -0.70 0.00 0.00 0.00 174.94 174.45 2wql s GLU 99 N 1.22 4.26 0.08 2.79 2.12 0.03 -0.92 118.70 128.29 2wql s GLU 99 Ca 0.04 0.79 0.09 0.00 0.36 0.00 0.00 54.97 56.25 2wql s GLU 99 Cb -0.22 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 2wql s GLU 99 CO -0.02 -0.25 -0.23 0.95 -0.54 0.00 0.00 175.26 175.17 2wql s THR 100 N 1.90 1.87 -0.07 -1.70 -4.23 0.53 0.20 115.64 114.14 2wql s THR 100 Ca 0.33 -1.46 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 2wql s THR 100 Cb -0.16 -1.65 0.03 0.00 1.34 0.00 0.00 72.50 72.06 2wql s THR 100 CO 0.12 0.11 0.01 -1.00 -0.54 0.00 0.00 174.62 173.32 2wql s HIS 101 N -0.98 0.56 -0.02 3.99 3.76 0.04 -1.91 115.29 120.73 2wql s HIS 101 Ca 0.09 -0.11 0.07 0.00 -0.15 0.00 0.00 55.06 54.97 2wql s HIS 101 Cb -0.10 -0.75 -0.02 0.00 1.11 0.00 0.00 32.58 32.83 2wql s HIS 101 CO 0.04 -0.31 -0.24 1.41 -0.85 0.00 0.00 174.74 174.78 2wql s MET 102 N 2.01 1.95 -0.01 1.40 1.75 0.88 -1.09 119.30 126.19 2wql s MET 102 Ca 0.05 -0.86 0.01 0.00 -1.25 0.00 0.00 55.69 53.64 2wql s MET 102 Cb -0.12 -1.88 0.00 0.00 2.84 0.00 0.00 34.83 35.67 2wql s MET 102 CO -0.05 0.51 -0.02 0.54 -0.65 0.00 0.00 175.02 175.36 2wql s VAL 103 N -0.56 0.16 -0.28 10.11 0.11 -0.20 -0.73 120.40 129.01 2wql s VAL 103 Ca 0.09 -0.05 -0.09 0.00 -2.93 0.00 0.00 61.98 59.00 2wql s VAL 103 Cb -0.09 -0.16 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 2wql s VAL 103 CO -0.01 0.06 0.13 -0.69 -3.33 0.00 0.00 175.10 171.26 2wql s VAL 104 N 0.14 4.63 -0.05 2.04 1.01 -0.33 -0.79 120.40 127.05 2wql s VAL 104 Ca -0.01 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2wql s VAL 104 Cb -0.03 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2wql s VAL 104 CO -0.00 0.19 -0.14 0.68 0.00 0.00 0.00 175.10 175.83 2wql s VAL 105 N 1.64 3.12 0.65 2.92 -7.23 0.09 -4.81 120.40 116.79 2wql s VAL 105 Ca 0.06 -0.70 -0.13 0.00 -1.81 0.00 0.00 61.98 59.40 2wql s VAL 105 Cb -0.16 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 2wql s VAL 105 CO 0.06 0.59 1.05 -2.16 -0.31 0.00 0.00 175.10 174.34 2wql s PRO 106 N -0.73 3.14 0.15 4.82 0.04 -1.26 -0.99 135.00 140.17 2wql s PRO 106 Ca 0.11 1.03 0.11 0.00 0.04 0.00 0.00 61.00 62.29 2wql s PRO 106 Cb -0.11 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2wql s PRO 106 CO 0.01 -0.94 -0.24 0.99 0.04 0.00 0.00 177.00 176.85 2wql s THR 107 N -2.83 2.18 0.48 1.26 2.01 -0.50 -4.81 115.64 113.43 2wql s THR 107 Ca 0.60 -1.85 0.29 0.00 0.31 0.00 0.00 61.69 61.04 2wql s THR 107 Cb -0.14 -1.98 0.49 0.00 0.01 0.00 0.00 72.50 70.88 2wql s THR 107 CO 0.48 -0.04 1.79 0.00 -0.69 0.00 0.00 174.62 176.15 2wql h ALA 108 N 3.59 2.75 0.00 7.40 0.00 -1.98 0.34 119.26 131.37 2wql h ALA 108 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2wql h ALA 108 Cb 1.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wql h ALA 108 CO 0.44 -1.13 0.00 -0.40 0.00 0.00 0.00 179.25 178.15 2wql n ASP 109 N -4.38 0.00 0.00 0.00 5.68 -1.26 -4.87 116.55 111.72 2wql n ASP 109 Ca 0.26 -1.08 0.00 0.00 -0.50 0.00 0.00 54.79 53.47 2wql n ASP 109 Cb 1.11 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.09 2wql n ASP 109 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wql n GLY 110 N 0.92 0.75 0.00 6.12 0.00 0.11 -5.05 105.19 108.03 2wql n GLY 110 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2wql n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wql n GLY 111 N -2.09 1.43 3.37 -0.02 0.00 -1.25 -3.70 105.19 102.93 2wql n GLY 111 Ca 0.00 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 2wql n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wql s SER 112 N -1.00 -0.29 -0.11 1.61 1.04 -0.38 -1.41 113.70 113.16 2wql s SER 112 Ca 0.00 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.15 2wql s SER 112 Cb 0.00 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.64 2wql s SER 112 CO 0.00 -0.91 -0.18 -0.63 0.98 0.00 0.00 173.24 172.50 2wql s ILE 113 N -3.81 1.70 -0.36 -1.02 1.01 -0.16 -1.42 121.20 117.14 2wql s ILE 113 Ca 0.04 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 2wql s ILE 113 Cb 0.01 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 2wql s ILE 113 CO -0.10 0.48 0.25 -0.89 0.00 0.00 0.00 174.94 174.68 2wql s THR 114 N 0.76 5.25 -0.25 2.92 2.01 -0.23 -0.73 115.64 125.37 2wql s THR 114 Ca -0.11 -0.35 -0.07 0.00 0.31 0.00 0.00 61.69 61.47 2wql s THR 114 Cb -0.16 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 2wql s THR 114 CO 0.01 -0.09 0.07 -0.54 -0.69 0.00 0.00 174.62 173.38 2wql s LYS 115 N 1.71 3.60 -0.07 4.92 1.02 0.03 -1.37 119.74 129.57 2wql s LYS 115 Ca 0.06 -0.52 0.06 0.00 0.02 0.00 0.00 55.97 55.59 2wql s LYS 115 Cb -0.18 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.80 2wql s LYS 115 CO 0.10 -0.21 -0.24 0.99 -0.92 0.00 0.00 175.35 175.06 2wql s THR 116 N 1.60 2.09 -0.14 2.17 2.01 -0.19 -1.03 115.64 122.16 2wql s THR 116 Ca 0.06 -1.04 -0.00 0.00 0.31 0.00 0.00 61.69 61.02 2wql s THR 116 Cb -0.15 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 2wql s THR 116 CO 0.03 0.57 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.50 2wql s THR 117 N -0.07 2.90 -0.11 -0.82 2.01 -0.25 -1.09 115.64 118.22 2wql s THR 117 Ca -0.06 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.24 2wql s THR 117 Cb -0.15 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 2wql s THR 117 CO 0.05 0.52 -0.11 0.00 -0.69 0.00 0.00 174.62 174.38 2wql s ALA 118 N 0.57 2.74 -0.17 7.40 0.00 0.42 -0.78 121.76 131.93 2wql s ALA 118 Ca -0.08 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 50.99 2wql s ALA 118 Cb -0.16 -1.21 0.02 0.00 0.00 0.00 0.00 23.12 21.77 2wql s ALA 118 CO 0.03 0.36 -0.20 0.42 0.00 0.00 0.00 175.76 176.38 2wql s ILE 119 N -0.07 2.00 -0.36 0.00 1.01 0.13 -0.66 121.20 123.26 2wql s ILE 119 Ca -0.01 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 2wql s ILE 119 Cb -0.14 -1.81 -0.00 0.00 0.01 0.00 0.00 42.46 40.52 2wql s ILE 119 CO 0.03 0.53 0.39 -0.36 0.00 0.00 0.00 174.94 175.53 2wql s PHE 120 N 1.23 3.20 -0.35 3.97 0.40 -0.29 -0.79 117.98 125.36 2wql s PHE 120 Ca 0.03 -0.08 -0.18 0.00 -0.60 0.00 0.00 56.93 56.10 2wql s PHE 120 Cb -0.13 -2.73 -0.00 0.00 0.51 0.00 0.00 43.02 40.66 2wql s PHE 120 CO -0.11 -0.49 0.51 -1.01 0.70 0.00 0.00 175.22 174.82 2wql s HIS 121 N 2.06 3.18 0.24 0.36 3.76 -0.52 -3.96 115.29 120.41 2wql s HIS 121 Ca 0.12 0.18 0.11 0.00 -0.15 0.00 0.00 55.06 55.33 2wql s HIS 121 Cb -0.17 -2.92 -0.05 0.00 1.11 0.00 0.00 32.58 30.55 2wql s HIS 121 CO 0.12 -0.54 -0.21 0.95 -0.85 0.00 0.00 174.74 174.22 2wql s THR 122 N 2.39 2.33 -0.06 1.30 -4.23 -1.26 0.25 115.64 116.36 2wql s THR 122 Ca 0.19 -2.24 -0.30 0.00 -1.18 0.00 0.00 61.69 58.16 2wql s THR 122 Cb -0.15 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 2wql s THR 122 CO 0.13 -0.32 1.26 -0.54 -0.54 0.00 0.00 174.62 174.62 2wql s LYS 123 N -3.20 4.32 4.87 3.99 1.02 -1.18 -4.84 119.74 124.71 2wql s LYS 123 Ca 0.25 1.75 0.00 0.00 0.02 0.00 0.00 55.97 57.99 2wql s LYS 123 Cb -0.06 -3.60 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 2wql s LYS 123 CO 0.12 -0.52 0.00 0.41 -0.92 0.00 0.00 175.35 174.44 2wql n GLY 124 N 3.48 1.62 1.33 -3.33 0.00 -1.26 -3.21 105.19 103.81 2wql n GLY 124 Ca 0.12 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.55 2wql n GLY 124 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wql n ASP 125 N 1.63 3.89 -4.72 1.61 8.00 -1.26 -4.98 116.55 120.71 2wql n ASP 125 Ca 0.00 -2.49 -0.42 0.00 0.71 0.00 0.00 54.79 52.59 2wql n ASP 125 Cb 0.00 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 2wql n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wql s ALA 126 N -2.00 3.76 -0.12 2.24 0.00 -1.20 -4.99 121.76 119.45 2wql s ALA 126 Ca 0.37 1.38 -0.04 0.00 0.00 0.00 0.00 51.96 53.67 2wql s ALA 126 Cb 0.26 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2wql s ALA 126 CO 0.14 -0.79 0.03 0.08 0.00 0.00 0.00 175.76 175.22 2wql s VAL 127 N 0.90 4.56 -0.20 0.00 1.01 -1.26 -4.78 120.40 120.62 2wql s VAL 127 Ca 0.68 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.23 2wql s VAL 127 Cb -0.44 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2wql s VAL 127 CO 0.34 0.56 1.10 -0.69 0.00 0.00 0.00 175.10 176.41 2wql s VAL 128 N -0.46 4.58 0.59 2.92 1.01 -1.26 -5.01 120.40 122.77 2wql s VAL 128 Ca 0.09 1.90 -0.19 0.00 0.00 0.00 0.00 61.98 63.78 2wql s VAL 128 Cb -0.12 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2wql s VAL 128 CO 0.02 -0.16 1.20 -2.84 0.00 0.00 0.00 175.10 173.33 2wql s PRO 129 N 3.19 2.98 0.37 2.72 0.02 -1.26 -4.91 135.00 138.11 2wql s PRO 129 Ca 0.47 1.80 0.08 0.00 0.02 0.00 0.00 61.00 63.37 2wql s PRO 129 Cb -0.17 -1.93 0.79 0.00 0.02 0.00 0.00 34.50 33.21 2wql s PRO 129 CO 0.09 -1.20 1.94 1.49 -0.33 0.00 0.00 177.00 178.99 2wql h GLU 130 N 0.87 0.68 -0.64 5.54 4.57 -2.00 -2.20 114.58 121.40 2wql h GLU 130 Ca -0.50 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.61 2wql h GLU 130 Cb 1.29 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.70 2wql h GLU 130 CO 0.55 0.45 0.30 1.05 -1.18 0.00 0.00 179.01 180.18 2wql h GLU 131 N 0.70 0.91 -0.08 1.92 4.11 -1.99 -0.90 114.58 119.25 2wql h GLU 131 Ca 0.34 -0.12 -0.15 0.00 0.07 0.00 0.00 59.36 59.51 2wql h GLU 131 Cb 0.41 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2wql h GLU 131 CO -0.12 0.71 -0.60 -0.91 0.07 0.00 0.00 179.01 178.16 2wql h ASN 132 N 0.90 0.30 -0.21 3.06 4.21 -1.77 -1.96 115.58 120.12 2wql h ASN 132 Ca 0.22 -0.17 -0.10 0.00 1.21 0.00 0.00 56.30 57.46 2wql h ASN 132 Cb 0.10 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 37.21 2wql h ASN 132 CO -0.03 0.83 -0.25 0.40 -1.29 0.00 0.00 177.43 177.09 2wql h ILE 133 N 0.20 1.33 -0.84 2.81 2.04 -1.32 -2.43 117.51 119.30 2wql h ILE 133 Ca -0.00 -1.44 -0.00 0.00 1.00 0.00 0.00 64.86 64.42 2wql h ILE 133 Cb 1.10 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.93 2wql h ILE 133 CO 0.09 0.44 0.51 0.11 0.00 0.00 0.00 178.15 179.31 2wql h LYS 134 N 0.21 1.13 -0.04 2.37 1.57 -1.13 -1.39 116.57 119.28 2wql h LYS 134 Ca 0.03 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2wql h LYS 134 Cb 0.81 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2wql h LYS 134 CO 0.06 0.78 0.01 0.35 -0.57 0.00 0.00 179.45 180.09 2wql h PHE 135 N 1.15 0.02 -0.59 -1.35 3.57 -1.30 -1.26 116.94 117.19 2wql h PHE 135 Ca 0.30 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.85 2wql h PHE 135 Cb -0.06 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 2wql h PHE 135 CO 0.00 0.01 0.32 0.00 -2.23 0.00 0.00 178.31 176.42 2wql h ALA 136 N 1.03 0.78 -0.69 2.41 0.00 -1.14 -1.52 119.26 120.12 2wql h ALA 136 Ca 0.02 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wql h ALA 136 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2wql h ALA 136 CO -0.02 -0.00 0.45 -0.44 0.00 0.00 0.00 179.25 179.24 2wql h ASP 137 N 0.61 0.79 -0.43 0.00 3.32 -0.98 -0.09 116.42 119.65 2wql h ASP 137 Ca 0.26 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2wql h ASP 137 Cb 0.14 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2wql h ASP 137 CO -0.16 0.58 0.19 0.00 -1.72 0.00 0.00 179.24 178.13 2wql h ALA 138 N 1.25 0.56 -0.11 3.45 0.00 -0.86 -1.41 119.26 122.14 2wql h ALA 138 Ca 0.25 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 2wql h ALA 138 Cb -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2wql h ALA 138 CO -0.05 0.14 -0.78 0.37 0.00 0.00 0.00 179.25 178.93 2wql h GLN 139 N 0.55 0.61 -0.28 0.00 4.15 -0.98 -0.51 115.11 118.66 2wql h GLN 139 Ca 0.15 -0.51 -0.12 0.00 0.77 0.00 0.00 58.65 58.94 2wql h GLN 139 Cb 0.15 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2wql h GLN 139 CO -0.02 1.13 -0.32 -0.91 -1.93 0.00 0.00 178.83 176.78 2wql h ASN 140 N 0.41 0.61 -0.33 -0.69 2.35 -1.00 -1.96 115.58 114.97 2wql h ASN 140 Ca -0.05 -0.24 -0.08 0.00 -0.55 0.00 0.00 56.30 55.38 2wql h ASN 140 Cb 1.39 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 2wql h ASN 140 CO 0.15 0.89 -0.12 0.74 -1.65 0.00 0.00 177.43 177.44 2wql h THR 141 N 0.50 1.28 -0.50 2.81 2.02 -1.11 -0.26 112.91 117.65 2wql h THR 141 Ca 0.06 -1.20 0.07 0.00 0.77 0.00 0.00 66.41 66.11 2wql h THR 141 Cb 0.80 1.37 -0.06 0.00 -1.74 0.00 0.00 68.15 68.53 2wql h THR 141 CO 0.07 0.39 0.15 0.00 0.37 0.00 0.00 175.52 176.50 2wql h ALA 142 N 0.79 0.60 -0.26 6.16 0.00 -0.89 -0.30 119.26 125.36 2wql h ALA 142 Ca 0.08 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 2wql h ALA 142 Cb 0.64 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2wql h ALA 142 CO 0.04 -0.25 -0.30 1.25 0.00 0.00 0.00 179.25 179.99 2wql h LEU 143 N 0.31 0.71 -0.41 0.00 5.85 -1.29 -1.81 115.31 118.68 2wql h LEU 143 Ca 0.25 -0.49 0.08 0.00 0.84 0.00 0.00 57.88 58.56 2wql h LEU 143 Cb 0.29 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 2wql h LEU 143 CO -0.27 1.06 -0.10 0.15 -0.34 0.00 0.00 178.44 178.94 2wql h PHE 144 N 0.38 -0.21 0.00 1.25 3.57 -0.62 -1.87 116.94 119.45 2wql h PHE 144 Ca 0.04 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 2wql h PHE 144 Cb 0.88 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2wql h PHE 144 CO 0.08 -0.17 -0.63 0.87 -2.23 0.00 0.00 178.31 176.22 2wql h LYS 145 N 0.00 0.00 -0.73 1.11 1.79 -0.98 0.66 116.57 118.42 2wql h LYS 145 Ca 0.20 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.61 2wql h LYS 145 Cb 0.30 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 2wql h LYS 145 CO -0.42 0.63 0.21 0.00 -1.08 0.00 0.00 179.45 178.79 2wql h ALA 146 N 1.37 0.99 -0.31 3.86 0.00 -1.01 -1.54 119.26 122.62 2wql h ALA 146 Ca -0.01 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2wql h ALA 146 Cb 1.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2wql h ALA 146 CO 0.08 0.67 -0.19 0.82 0.00 0.00 0.00 179.25 180.63 2wql h ILE 147 N 1.10 1.29 -0.77 0.00 2.04 -0.80 -2.48 117.51 117.90 2wql h ILE 147 Ca 0.23 -1.31 0.12 0.00 1.00 0.00 0.00 64.86 64.91 2wql h ILE 147 Cb 0.33 1.46 -0.09 0.00 -0.74 0.00 0.00 36.82 37.79 2wql h ILE 147 CO -0.00 0.42 0.36 -0.08 0.00 0.00 0.00 178.15 178.85 2wql h GLU 148 N 0.44 0.54 -0.60 2.37 4.81 -0.75 -0.57 114.58 120.82 2wql h GLU 148 Ca 0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2wql h GLU 148 Cb 0.73 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 2wql h GLU 148 CO 0.05 0.36 0.39 0.00 -0.73 0.00 0.00 179.01 179.08 2wql h ALA 149 N 1.51 0.76 -0.65 2.92 0.00 -1.10 -0.87 119.26 121.83 2wql h ALA 149 Ca 0.40 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 2wql h ALA 149 Cb 0.54 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2wql h ALA 149 CO -0.34 0.21 0.14 -0.92 0.00 0.00 0.00 179.25 178.33 2wql h TYR 150 N 0.81 1.12 -0.72 0.00 3.20 -0.86 -2.72 116.97 117.80 2wql h TYR 150 Ca 0.22 -0.14 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2wql h TYR 150 Cb -0.07 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 37.86 2wql h TYR 150 CO -0.03 0.94 0.22 -0.07 -1.64 0.00 0.00 178.16 177.58 2wql h LEU 151 N 0.99 1.06 -1.43 2.82 3.38 -0.83 -0.88 115.31 120.41 2wql h LEU 151 Ca 0.20 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2wql h LEU 151 Cb 0.40 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2wql h LEU 151 CO 0.01 0.99 -0.18 0.40 0.09 0.00 0.00 178.44 179.74 2wql h ILE 152 N 1.07 1.18 0.00 1.22 2.04 -1.02 -3.04 117.51 118.97 2wql h ILE 152 Ca 0.23 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 2wql h ILE 152 Cb 0.31 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2wql h ILE 152 CO -0.01 0.25 -1.00 0.00 0.00 0.00 0.00 178.15 177.39 2wql h ALA 153 N 1.68 0.52 0.00 1.87 0.00 -1.21 -3.52 119.26 118.60 2wql h ALA 153 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wql h ALA 153 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2wql h ALA 153 CO 0.03 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.42