#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cur h THR 2 N 0.00 0.00 -2.98 2.61 1.35 -2.00 -3.48 112.91 108.41 1cur h THR 2 Ca 0.00 -0.30 0.36 0.00 -0.55 0.00 0.00 66.41 65.92 1cur h THR 2 Cb 0.00 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.33 1cur h THR 2 CO 0.00 0.00 -0.49 0.18 -0.25 0.00 0.00 175.52 174.96 1cur n LEU 3 N -4.03 -0.66 -4.70 3.87 4.32 -1.26 -4.44 117.00 110.10 1cur n LEU 3 Ca -0.06 1.44 -0.42 0.00 -0.02 0.00 0.00 56.01 56.96 1cur n LEU 3 Cb 0.18 -4.09 -0.03 0.00 -1.62 0.00 0.00 43.42 37.86 1cur n LEU 3 CO 0.13 -3.61 1.08 -0.62 -1.22 0.00 0.00 177.39 173.16 1cur s ASP 4 N -6.67 6.86 -0.28 -1.43 -1.08 0.32 -4.68 116.67 109.71 1cur s ASP 4 Ca 0.00 2.17 0.08 0.00 -0.52 0.00 0.00 52.55 54.28 1cur s ASP 4 Cb 0.00 -2.57 0.46 0.00 -1.46 0.00 0.00 42.92 39.35 1cur s ASP 4 CO 0.00 -0.68 1.19 0.35 0.52 0.00 0.00 175.17 176.55 1cur n THR 5 N 4.40 2.43 -1.31 1.71 -2.24 -1.26 -0.90 114.28 117.11 1cur n THR 5 Ca 0.12 -4.06 -0.39 0.00 -2.27 0.00 0.00 64.05 57.46 1cur n THR 5 Cb 0.43 -0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 67.70 1cur n THR 5 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1cur n THR 6 N -0.73 4.30 -3.74 4.28 -1.04 -1.26 -4.90 114.28 111.18 1cur n THR 6 Ca 0.40 -2.57 -0.35 0.00 -2.04 0.00 0.00 64.05 59.49 1cur n THR 6 Cb 0.94 -2.61 -0.08 0.00 -1.82 0.00 0.00 70.33 66.76 1cur n THR 6 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1cur s TRP 7 N 2.20 3.45 0.03 -1.42 0.52 -1.26 -3.97 118.94 118.49 1cur s TRP 7 Ca 0.69 0.39 0.00 0.00 0.02 0.00 0.00 56.10 57.21 1cur s TRP 7 Cb 0.18 -2.14 -0.00 0.00 -1.15 0.00 0.00 33.47 30.36 1cur s TRP 7 CO -0.06 0.37 0.04 1.63 0.02 0.00 0.00 176.95 178.94 1cur n LYS 8 N 3.24 0.05 -4.05 4.98 4.76 -0.22 -5.02 118.16 121.91 1cur n LYS 8 Ca -0.16 -0.28 -0.18 0.00 -2.87 0.00 0.00 58.31 54.81 1cur n LYS 8 Cb 0.53 0.25 -0.16 0.00 -1.84 0.00 0.00 35.03 33.80 1cur n LYS 8 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1cur s GLU 9 N -2.10 0.54 0.00 1.97 2.02 -1.26 -0.60 118.70 119.27 1cur s GLU 9 Ca 0.03 -0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.01 1cur s GLU 9 Cb 0.00 -0.64 0.00 0.00 0.10 0.00 0.00 34.13 33.59 1cur s GLU 9 CO 0.02 -0.10 0.00 0.00 0.02 0.00 0.00 175.26 175.20 1cur n ALA 10 N 4.05 0.00 -2.18 5.21 0.00 0.83 -4.78 120.51 123.65 1cur n ALA 10 Ca -0.26 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 1cur n ALA 10 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 1cur n ALA 10 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cur s THR 11 N 1.13 0.14 0.21 0.00 -4.23 -1.26 -0.39 115.64 111.24 1cur s THR 11 Ca 0.00 -1.94 -0.19 0.00 -1.18 0.00 0.00 61.69 58.38 1cur s THR 11 Cb 0.00 -2.20 0.19 0.00 1.34 0.00 0.00 72.50 71.83 1cur s THR 11 CO 0.00 -0.32 1.51 -0.11 -0.54 0.00 0.00 174.62 175.15 1cur n LEU 12 N -0.17 -0.69 0.00 4.79 0.00 -0.53 -0.31 117.00 120.09 1cur n LEU 12 Ca -0.03 1.70 0.07 0.00 0.00 0.00 0.00 56.01 57.75 1cur n LEU 12 Cb 0.64 -0.37 0.48 0.00 0.00 0.00 0.00 43.42 44.17 1cur n LEU 12 CO 0.32 -1.51 1.16 -0.65 0.00 0.00 0.00 177.39 176.71 1cur h PRO 13 N 0.00 0.43 -0.14 1.96 0.11 -1.98 -1.34 132.00 131.04 1cur h PRO 13 Ca 0.31 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.34 1cur h PRO 13 Cb 0.55 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1cur h PRO 13 CO -0.96 0.28 -0.17 1.96 -0.21 0.00 0.00 178.00 178.91 1cur h GLN 14 N 0.44 0.23 -0.08 1.05 4.20 -1.08 -0.33 115.11 119.55 1cur h GLN 14 Ca 0.18 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.85 1cur h GLN 14 Cb 0.15 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1cur h GLN 14 CO -0.04 0.40 -0.09 0.28 -0.67 0.00 0.00 178.83 178.71 1cur h VAL 15 N 0.22 0.75 -0.15 -0.54 2.07 -1.12 0.63 116.25 118.11 1cur h VAL 15 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1cur h VAL 15 Cb 0.43 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1cur h VAL 15 CO 0.03 0.00 0.02 0.11 0.02 0.00 0.00 177.57 177.75 1cur h LYS 16 N -0.12 0.08 -0.26 1.57 1.57 -1.47 -0.32 116.57 117.63 1cur h LYS 16 Ca 0.06 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1cur h LYS 16 Cb 0.21 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.42 1cur h LYS 16 CO -0.15 0.05 -0.43 0.00 -0.57 0.00 0.00 179.45 178.35 1cur h ALA 17 N 1.11 -0.54 -0.40 3.86 0.00 -0.45 -1.31 119.26 121.53 1cur h ALA 17 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1cur h ALA 17 Cb 0.06 0.85 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1cur h ALA 17 CO -0.09 -0.91 0.16 0.52 0.00 0.00 0.00 179.25 178.93 1cur h MET 18 N -0.42 0.59 -0.66 0.00 2.86 -0.73 -3.04 114.93 113.53 1cur h MET 18 Ca 0.10 -0.10 0.14 0.00 -2.06 0.00 0.00 59.70 57.78 1cur h MET 18 Cb 0.61 -0.10 -0.11 0.00 0.06 0.00 0.00 31.60 32.06 1cur h MET 18 CO -0.48 0.55 0.02 -0.07 1.06 0.00 0.00 176.91 178.00 1cur h LEU 19 N 0.50 -0.25 -2.25 1.22 3.38 -0.41 0.17 115.31 117.66 1cur h LEU 19 Ca 0.13 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.28 1cur h LEU 19 Cb 0.18 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1cur h LEU 19 CO -0.01 -0.12 0.25 -0.33 0.09 0.00 0.00 178.44 178.32 1cur h GLU 20 N 0.13 0.00 -0.45 1.13 4.39 -1.14 -1.30 114.58 117.34 1cur h GLU 20 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 1cur h GLU 20 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1cur h GLU 20 CO -0.55 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 178.93 1cur n LYS 21 N -3.17 2.33 -2.21 2.33 4.76 0.58 -4.92 118.16 117.86 1cur n LYS 21 Ca -0.01 -2.04 -0.43 0.00 -2.87 0.00 0.00 58.31 52.97 1cur n LYS 21 Cb 0.33 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 32.02 1cur n LYS 21 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1cur s ASP 22 N -1.28 6.48 -0.02 4.39 2.15 -0.49 -4.86 116.67 123.04 1cur s ASP 22 Ca 0.38 1.50 0.04 0.00 0.43 0.00 0.00 52.55 54.90 1cur s ASP 22 Cb 0.21 -2.53 0.15 0.00 -0.30 0.00 0.00 42.92 40.45 1cur s ASP 22 CO 0.29 -1.19 0.93 0.35 -0.17 0.00 0.00 175.17 175.37 1cur n THR 23 N 6.32 0.38 -3.02 1.71 -2.24 -1.24 -4.87 114.28 111.33 1cur n THR 23 Ca 0.17 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 1cur n THR 23 Cb 0.46 -0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 1cur n THR 23 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1cur s GLY 24 N -0.57 1.71 -0.19 3.38 0.00 -1.26 -4.58 107.32 105.80 1cur s GLY 24 Ca 0.10 -0.69 -0.29 0.00 0.00 0.00 0.00 44.72 43.84 1cur s GLY 24 CO 0.05 1.64 1.08 0.54 0.00 0.00 0.00 173.10 176.41 1cur s LYS 25 N 2.90 4.28 0.01 2.90 1.02 0.85 -4.71 119.74 127.00 1cur s LYS 25 Ca 0.28 1.44 -0.33 0.00 0.02 0.00 0.00 55.97 57.38 1cur s LYS 25 Cb -0.14 -3.64 -0.11 0.00 -0.52 0.00 0.00 37.83 33.41 1cur s LYS 25 CO 0.15 -0.59 1.85 0.28 -0.92 0.00 0.00 175.35 176.12 1cur n VAL 26 N 5.17 0.50 -3.26 3.17 0.31 -1.26 -0.62 118.33 122.34 1cur n VAL 26 Ca 0.12 -0.09 -0.25 0.00 -0.01 0.00 0.00 64.34 64.11 1cur n VAL 26 Cb 0.46 -1.96 -0.07 0.00 -0.91 0.00 0.00 33.84 31.36 1cur n VAL 26 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1cur n SER 27 N 6.17 1.67 0.00 4.52 7.64 0.11 -4.91 113.62 128.81 1cur n SER 27 Ca 0.20 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 57.06 1cur n SER 27 Cb 0.33 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1cur n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cur n GLY 28 N 1.07 3.05 0.10 0.23 0.00 -1.26 -1.31 105.19 107.07 1cur n GLY 28 Ca 0.25 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 1cur n GLY 28 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1cur h ASP 29 N 0.00 0.31 -4.24 1.61 1.82 -1.97 -3.46 116.42 110.49 1cur h ASP 29 Ca 0.00 -0.30 -0.48 0.00 -0.39 0.00 0.00 57.03 55.85 1cur h ASP 29 Cb 0.00 -0.10 0.04 0.00 0.68 0.00 0.00 39.33 39.95 1cur h ASP 29 CO 0.00 1.20 0.39 -0.89 -1.61 0.00 0.00 179.24 178.32 1cur s THR 30 N -2.83 4.44 -0.09 2.25 2.01 -0.43 -4.16 115.64 116.84 1cur s THR 30 Ca -0.03 1.06 0.04 0.00 0.31 0.00 0.00 61.69 63.08 1cur s THR 30 Cb 0.08 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 1cur s THR 30 CO 0.86 -0.77 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.11 1cur s VAL 31 N -2.74 2.28 -0.12 3.82 1.01 0.52 0.06 120.40 125.23 1cur s VAL 31 Ca 0.59 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1cur s VAL 31 Cb -0.11 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1cur s VAL 31 CO 0.38 0.56 -0.21 -0.89 0.00 0.00 0.00 175.10 174.94 1cur s THR 32 N 0.09 1.94 0.57 3.92 2.01 0.21 -0.78 115.64 123.59 1cur s THR 32 Ca -0.10 -0.92 0.07 0.00 0.31 0.00 0.00 61.69 61.04 1cur s THR 32 Cb -0.16 -1.71 0.07 0.00 0.01 0.00 0.00 72.50 70.72 1cur s THR 32 CO 0.06 0.53 0.78 -0.31 -0.69 0.00 0.00 174.62 174.99 1cur s TYR 33 N 0.68 1.85 0.24 4.92 2.02 -0.20 -0.10 117.35 126.77 1cur s TYR 33 Ca -0.11 -0.51 -0.18 0.00 -0.37 0.00 0.00 57.07 55.90 1cur s TYR 33 Cb -0.16 -2.45 0.02 0.00 -0.40 0.00 0.00 41.96 38.97 1cur s TYR 33 CO 0.02 -1.09 0.59 -1.12 -1.57 0.00 0.00 175.55 172.38 1cur s SER 34 N -4.59 -0.22 -1.65 2.29 0.01 -1.26 -4.62 113.70 103.66 1cur s SER 34 Ca 0.61 -0.64 -0.13 0.00 1.31 0.00 0.00 55.95 57.09 1cur s SER 34 Cb -0.07 0.64 0.12 0.00 0.21 0.00 0.00 66.02 66.92 1cur s SER 34 CO 0.39 -1.20 0.58 0.61 0.41 0.00 0.00 173.24 174.03 1cur n GLY 35 N -0.40 -0.35 2.39 3.44 0.00 -1.26 -1.24 105.19 107.77 1cur n GLY 35 Ca -0.05 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 1cur n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cur n LYS 36 N -4.37 -1.85 -3.25 1.61 5.02 -1.26 -4.86 118.16 109.21 1cur n LYS 36 Ca -0.05 0.34 -0.41 0.00 -2.02 0.00 0.00 58.31 56.17 1cur n LYS 36 Cb 0.55 -4.03 -0.01 0.00 -0.02 0.00 0.00 35.03 31.52 1cur n LYS 36 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1cur n THR 37 N -1.19 4.45 -2.92 -0.18 -1.04 -0.38 -0.79 114.28 112.24 1cur n THR 37 Ca -0.02 -5.57 -0.44 0.00 -2.04 0.00 0.00 64.05 55.98 1cur n THR 37 Cb 0.28 -2.29 -0.03 0.00 -1.82 0.00 0.00 70.33 66.47 1cur n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1cur s VAL 38 N -2.08 4.53 -0.46 12.58 1.01 -1.22 -4.57 120.40 130.20 1cur s VAL 38 Ca 0.31 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1cur s VAL 38 Cb -0.01 -4.69 0.10 0.00 0.00 0.00 0.00 36.38 31.78 1cur s VAL 38 CO -0.00 -1.42 0.33 -2.28 0.00 0.00 0.00 175.10 171.73 1cur s HIS 39 N 3.41 3.35 -0.50 5.22 2.46 -1.26 -0.65 115.29 127.32 1cur s HIS 39 Ca 0.24 -1.56 -0.16 0.00 0.47 0.00 0.00 55.06 54.05 1cur s HIS 39 Cb -0.14 -3.27 0.09 0.00 -0.13 0.00 0.00 32.58 29.13 1cur s HIS 39 CO 0.03 -0.91 0.47 0.08 -2.47 0.00 0.00 174.74 171.94 1cur s VAL 40 N 1.45 5.17 -0.93 0.89 1.01 -0.06 -3.62 120.40 124.31 1cur s VAL 40 Ca 0.04 -1.15 -0.20 0.00 0.00 0.00 0.00 61.98 60.68 1cur s VAL 40 Cb -0.25 -4.23 0.12 0.00 0.00 0.00 0.00 36.38 32.01 1cur s VAL 40 CO 0.02 -0.72 1.17 -0.69 0.00 0.00 0.00 175.10 174.87 1cur s VAL 41 N 1.78 4.59 0.30 2.92 1.01 -1.26 -0.01 120.40 129.73 1cur s VAL 41 Ca 0.05 -1.40 0.02 0.00 0.00 0.00 0.00 61.98 60.65 1cur s VAL 41 Cb -0.26 -4.82 -0.03 0.00 0.00 0.00 0.00 36.38 31.28 1cur s VAL 41 CO 0.06 -1.57 0.48 0.00 0.00 0.00 0.00 175.10 174.07 1cur s ALA 42 N 3.08 3.78 0.21 5.51 0.00 0.45 -1.06 121.76 133.74 1cur s ALA 42 Ca 0.34 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 51.13 1cur s ALA 42 Cb -0.05 -1.98 0.02 0.00 0.00 0.00 0.00 23.12 21.11 1cur s ALA 42 CO -0.09 0.09 0.52 0.00 0.00 0.00 0.00 175.76 176.29 1cur s ALA 43 N -2.18 -0.77 -0.18 0.00 0.00 0.12 -0.08 121.76 118.68 1cur s ALA 43 Ca 0.38 -0.41 -0.04 0.00 0.00 0.00 0.00 51.96 51.89 1cur s ALA 43 Cb -0.09 0.90 0.09 0.00 0.00 0.00 0.00 23.12 24.01 1cur s ALA 43 CO 0.33 -0.83 0.29 0.00 0.00 0.00 0.00 175.76 175.55 1cur s ALA 44 N -3.91 -0.63 -1.23 0.00 0.00 -1.18 -0.67 121.76 114.13 1cur s ALA 44 Ca 0.13 0.78 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 1cur s ALA 44 Cb -0.01 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 1cur s ALA 44 CO 0.01 -0.94 0.76 0.28 0.00 0.00 0.00 175.76 175.87 1cur n VAL 45 N 5.35 -5.49 -2.56 0.00 0.31 -1.23 -3.50 118.33 111.20 1cur n VAL 45 Ca -0.06 -0.71 -0.33 0.00 -0.01 0.00 0.00 64.34 63.23 1cur n VAL 45 Cb 0.50 -4.34 -0.04 0.00 -0.91 0.00 0.00 33.84 29.04 1cur n VAL 45 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1cur s LEU 46 N -6.44 3.78 -0.66 7.52 1.43 -1.26 -4.53 118.68 118.53 1cur s LEU 46 Ca 0.16 1.72 -0.33 0.00 -1.03 0.00 0.00 54.13 54.65 1cur s LEU 46 Cb -0.04 -4.53 -0.16 0.00 0.03 0.00 0.00 46.19 41.49 1cur s LEU 46 CO 0.81 -0.60 2.43 -2.65 0.23 0.00 0.00 176.35 176.58 1cur n PRO 47 N -1.12 0.49 0.00 1.29 -0.02 -1.26 -0.36 135.00 134.02 1cur n PRO 47 Ca 0.08 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1cur n PRO 47 Cb 0.54 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1cur n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cur n GLY 48 N 6.55 3.73 3.70 -1.23 0.00 -1.26 -5.09 105.19 111.58 1cur n GLY 48 Ca 0.52 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1cur n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 49 N 0.00 3.54 0.64 1.61 0.08 0.52 -5.03 117.98 119.32 1cur s PHE 49 Ca 0.00 1.58 -0.09 0.00 0.12 0.00 0.00 56.93 58.54 1cur s PHE 49 Cb 0.00 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 1cur s PHE 49 CO 0.00 -0.32 0.99 -1.25 -0.10 0.00 0.00 175.22 174.55 1cur s PRO 50 N 1.56 3.00 0.51 0.24 0.04 -1.26 -4.13 135.00 134.97 1cur s PRO 50 Ca 0.51 0.29 -0.22 0.00 0.04 0.00 0.00 61.00 61.62 1cur s PRO 50 Cb -0.21 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 1cur s PRO 50 CO 0.23 -0.80 1.30 -0.06 0.04 0.00 0.00 177.00 177.71 1cur s PHE 51 N -3.16 2.49 -0.71 0.56 0.40 -1.26 -1.73 117.98 114.57 1cur s PHE 51 Ca 0.55 1.42 0.02 0.00 -0.60 0.00 0.00 56.93 58.32 1cur s PHE 51 Cb -0.11 -3.67 0.36 0.00 0.51 0.00 0.00 43.02 40.12 1cur s PHE 51 CO 0.49 -2.44 1.47 -0.35 0.70 0.00 0.00 175.22 175.09 1cur n PRO 52 N -0.80 3.66 -2.64 0.24 -0.04 -1.26 -5.06 135.00 129.09 1cur n PRO 52 Ca 0.09 -4.37 -0.43 0.00 -0.04 0.00 0.00 63.50 58.75 1cur n PRO 52 Cb 0.46 -2.30 -0.02 0.00 -0.04 0.00 0.00 33.50 31.60 1cur n PRO 52 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1cur s SER 53 N -2.41 7.12 -0.31 3.54 1.04 -0.71 -3.42 113.70 118.56 1cur s SER 53 Ca 0.47 1.46 -0.29 0.00 0.48 0.00 0.00 55.95 58.07 1cur s SER 53 Cb 0.34 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.92 1cur s SER 53 CO -0.22 -0.62 1.15 -0.36 0.98 0.00 0.00 173.24 174.17 1cur s PHE 54 N 2.88 2.99 -0.13 5.02 0.08 -1.23 -3.55 117.98 124.04 1cur s PHE 54 Ca 0.46 1.07 -0.07 0.00 0.12 0.00 0.00 56.93 58.51 1cur s PHE 54 Cb -0.17 -3.78 -0.04 0.00 -0.57 0.00 0.00 43.02 38.46 1cur s PHE 54 CO 0.10 -1.11 0.13 -1.21 -0.10 0.00 0.00 175.22 173.04 1cur s GLU 55 N 3.83 3.53 -0.30 0.44 8.01 0.16 -0.31 118.70 134.07 1cur s GLU 55 Ca 0.49 -0.15 -0.02 0.00 0.01 0.00 0.00 54.97 55.30 1cur s GLU 55 Cb -0.14 -3.21 0.10 0.00 -4.31 0.00 0.00 34.13 26.57 1cur s GLU 55 CO 0.18 0.71 0.11 0.08 0.01 0.00 0.00 175.26 176.35 1cur s VAL 56 N -0.82 0.49 0.00 2.63 1.01 0.44 0.15 120.40 124.29 1cur s VAL 56 Ca 0.14 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1cur s VAL 56 Cb -0.12 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1cur s VAL 56 CO 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 175.10 174.45 1cur n HIS 57 N 5.01 0.00 -0.06 5.22 1.44 -0.23 -0.66 115.22 125.96 1cur n HIS 57 Ca -0.04 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.66 1cur n HIS 57 Cb 0.42 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.38 1cur n HIS 57 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1cur n ASP 58 N 0.00 0.46 -1.70 4.39 -0.08 -1.26 -5.04 116.55 113.32 1cur n ASP 58 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cur n ASP 58 Cb 0.00 1.35 0.00 0.00 2.34 0.00 0.00 41.12 44.81 1cur n ASP 58 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1cur n LYS 59 N -2.48 1.47 -4.03 -0.67 4.76 0.17 -5.16 118.16 112.21 1cur n LYS 59 Ca -0.19 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.08 1cur n LYS 59 Cb 0.86 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.89 1cur n LYS 59 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1cur s LYS 60 N -1.96 0.40 -1.63 1.97 1.02 -1.26 -0.42 119.74 117.86 1cur s LYS 60 Ca 0.00 -0.04 -0.15 0.00 0.02 0.00 0.00 55.97 55.80 1cur s LYS 60 Cb 0.00 -0.47 0.12 0.00 -0.52 0.00 0.00 37.83 36.96 1cur s LYS 60 CO 0.00 -0.04 0.77 0.09 -0.92 0.00 0.00 175.35 175.25 1cur n ASN 61 N 3.66 -3.11 -4.72 2.83 5.03 0.58 -4.90 115.26 114.63 1cur n ASN 61 Ca -0.21 -0.97 -0.29 0.00 0.87 0.00 0.00 54.58 53.98 1cur n ASN 61 Cb 0.54 -3.02 0.16 0.00 -1.02 0.00 0.00 39.78 36.43 1cur n ASN 61 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1cur s PRO 62 N -6.81 0.78 -0.13 3.52 0.04 -1.26 -4.56 135.00 126.57 1cur s PRO 62 Ca 0.61 0.48 -0.20 0.00 0.04 0.00 0.00 61.00 61.92 1cur s PRO 62 Cb -0.33 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1cur s PRO 62 CO 0.90 -2.49 0.59 0.99 0.04 0.00 0.00 177.00 177.03 1cur s THR 63 N -3.06 5.10 -0.18 1.26 2.01 -1.26 -3.52 115.64 115.98 1cur s THR 63 Ca 0.64 1.16 -0.06 0.00 0.31 0.00 0.00 61.69 63.74 1cur s THR 63 Cb -0.17 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 1cur s THR 63 CO 0.56 0.23 0.02 -0.76 -0.69 0.00 0.00 174.62 173.99 1cur s LEU 64 N 1.10 3.52 -0.28 4.42 1.02 0.36 -0.36 118.68 128.47 1cur s LEU 64 Ca 0.30 -0.06 -0.09 0.00 0.02 0.00 0.00 54.13 54.31 1cur s LEU 64 Cb -0.16 -1.88 -0.02 0.00 0.02 0.00 0.00 46.19 44.15 1cur s LEU 64 CO 0.12 0.13 0.12 -1.61 0.02 0.00 0.00 176.35 175.14 1cur s GLU 65 N 0.59 3.53 -0.03 1.70 2.02 0.03 -0.37 118.70 126.18 1cur s GLU 65 Ca 0.01 -0.58 0.06 0.00 0.02 0.00 0.00 54.97 54.48 1cur s GLU 65 Cb -0.14 -3.47 -0.01 0.00 0.10 0.00 0.00 34.13 30.61 1cur s GLU 65 CO 0.02 -0.30 -0.20 0.42 0.02 0.00 0.00 175.26 175.22 1cur s ILE 66 N 1.63 1.62 0.04 -1.63 1.01 0.25 -1.03 121.20 123.08 1cur s ILE 66 Ca 0.06 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 1cur s ILE 66 Cb -0.16 -1.36 -0.07 0.00 0.01 0.00 0.00 42.46 40.89 1cur s ILE 66 CO 0.06 0.46 1.51 -2.84 0.00 0.00 0.00 174.94 174.13 1cur s PRO 67 N -0.33 4.24 0.16 2.79 0.02 -1.26 -1.18 135.00 139.44 1cur s PRO 67 Ca 0.04 2.13 -0.33 0.00 0.02 0.00 0.00 61.00 62.86 1cur s PRO 67 Cb -0.09 -3.57 -0.16 0.00 0.02 0.00 0.00 34.50 30.70 1cur s PRO 67 CO 0.00 -0.64 1.24 0.00 -0.33 0.00 0.00 177.00 177.27 1cur n ALA 68 N 5.41 -0.54 -1.05 -1.55 0.00 0.57 -0.73 120.51 122.63 1cur n ALA 68 Ca 0.14 0.47 -0.02 0.00 0.00 0.00 0.00 53.44 54.04 1cur n ALA 68 Cb 0.42 -2.08 -0.01 0.00 0.00 0.00 0.00 19.45 17.79 1cur n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cur n GLY 69 N 2.19 0.47 3.75 0.00 0.00 -0.13 -4.99 105.19 106.48 1cur n GLY 69 Ca 0.15 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1cur n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cur s ALA 70 N -1.81 2.62 -0.97 4.61 0.00 0.10 -4.87 121.76 121.44 1cur s ALA 70 Ca 0.00 1.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.88 1cur s ALA 70 Cb 0.00 -3.50 0.08 0.00 0.00 0.00 0.00 23.12 19.70 1cur s ALA 70 CO 0.00 -1.26 1.32 0.99 0.00 0.00 0.00 175.76 176.80 1cur s THR 71 N -1.47 4.20 -0.75 0.00 2.01 0.03 -4.10 115.64 115.57 1cur s THR 71 Ca 0.76 -0.97 -0.26 0.00 0.31 0.00 0.00 61.69 61.52 1cur s THR 71 Cb -0.34 -4.95 0.02 0.00 0.01 0.00 0.00 72.50 67.24 1cur s THR 71 CO 0.38 -1.77 1.43 -0.69 -0.69 0.00 0.00 174.62 173.28 1cur s VAL 72 N 4.21 3.66 -0.50 3.82 1.01 0.12 -3.42 120.40 129.29 1cur s VAL 72 Ca 0.40 0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 1cur s VAL 72 Cb -0.02 -4.71 0.07 0.00 0.00 0.00 0.00 36.38 31.72 1cur s VAL 72 CO -0.08 -1.65 0.53 -1.81 0.00 0.00 0.00 175.10 172.09 1cur s ASP 73 N 4.86 6.19 -0.89 3.32 1.01 0.18 -0.35 116.67 130.98 1cur s ASP 73 Ca 0.44 -1.20 -0.19 0.00 0.71 0.00 0.00 52.55 52.31 1cur s ASP 73 Cb -0.08 -2.24 0.12 0.00 1.01 0.00 0.00 42.92 41.73 1cur s ASP 73 CO 0.13 -0.82 1.10 -0.69 0.21 0.00 0.00 175.17 175.10 1cur s VAL 74 N 2.17 4.68 -1.07 -1.27 1.01 0.23 -0.88 120.40 125.27 1cur s VAL 74 Ca 0.09 -1.43 -0.22 0.00 0.00 0.00 0.00 61.98 60.43 1cur s VAL 74 Cb -0.23 -4.76 0.05 0.00 0.00 0.00 0.00 36.38 31.44 1cur s VAL 74 CO 0.09 -1.49 1.53 -0.89 0.00 0.00 0.00 175.10 174.33 1cur s THR 75 N 2.84 3.94 0.21 3.92 2.01 0.98 -2.81 115.64 126.73 1cur s THR 75 Ca 0.31 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 1cur s THR 75 Cb -0.07 -5.04 -0.08 0.00 0.01 0.00 0.00 72.50 67.32 1cur s THR 75 CO -0.07 -1.91 0.95 -0.36 -0.69 0.00 0.00 174.62 172.54 1cur s PHE 76 N 5.08 3.93 -0.68 4.92 0.08 0.82 -0.41 117.98 131.71 1cur s PHE 76 Ca 0.49 1.88 0.05 0.00 0.12 0.00 0.00 56.93 59.46 1cur s PHE 76 Cb 0.01 -3.01 0.27 0.00 -0.57 0.00 0.00 43.02 39.72 1cur s PHE 76 CO -0.06 0.35 0.89 -0.89 -0.10 0.00 0.00 175.22 175.41 1cur n ILE 77 N 1.82 2.91 -1.46 0.64 -0.00 0.89 -1.07 119.36 123.09 1cur n ILE 77 Ca -0.01 -5.39 -0.32 0.00 -0.00 0.00 0.00 62.75 57.04 1cur n ILE 77 Cb 0.47 -1.95 -0.06 0.00 -0.00 0.00 0.00 39.64 38.10 1cur n ILE 77 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1cur n ASN 78 N 0.66 7.47 -3.81 4.38 5.15 -0.75 -3.11 115.26 125.24 1cur n ASN 78 Ca 0.30 -2.80 -0.42 0.00 -0.60 0.00 0.00 54.58 51.06 1cur n ASN 78 Cb 0.39 -1.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.22 1cur n ASN 78 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1cur n THR 79 N 2.43 4.00 -3.72 -0.44 -1.04 -1.23 -4.80 114.28 109.47 1cur n THR 79 Ca 0.62 -3.85 -0.25 0.00 -2.04 0.00 0.00 64.05 58.53 1cur n THR 79 Cb 0.43 -2.45 -0.02 0.00 -1.82 0.00 0.00 70.33 66.46 1cur n THR 79 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1cur s ASN 80 N 1.76 6.35 -0.21 8.00 2.47 -1.23 -4.47 114.94 127.61 1cur s ASN 80 Ca 0.42 0.31 -0.17 0.00 0.42 0.00 0.00 52.86 53.84 1cur s ASN 80 Cb 0.11 -1.97 -0.04 0.00 -1.45 0.00 0.00 41.25 37.91 1cur s ASN 80 CO -0.03 -0.09 0.46 -0.54 -3.72 0.00 0.00 177.10 173.18 1cur s LYS 81 N -3.64 4.16 0.00 0.43 3.01 -1.26 -4.40 119.74 118.04 1cur s LYS 81 Ca 0.37 0.29 0.00 0.00 -1.01 0.00 0.00 55.97 55.62 1cur s LYS 81 Cb -0.10 -3.56 0.00 0.00 -1.01 0.00 0.00 37.83 33.15 1cur s LYS 81 CO 0.30 -0.12 0.00 0.41 0.51 0.00 0.00 175.35 176.45 1cur n GLY 82 N 3.99 1.55 3.58 -3.33 0.00 -1.26 -4.75 105.19 104.97 1cur n GLY 82 Ca -0.07 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1cur n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 83 N 0.00 2.68 -0.71 1.61 0.40 -1.26 -4.90 117.98 115.80 1cur s PHE 83 Ca 0.00 -1.36 -0.18 0.00 -0.60 0.00 0.00 56.93 54.79 1cur s PHE 83 Cb 0.00 -4.69 -0.16 0.00 0.51 0.00 0.00 43.02 38.69 1cur s PHE 83 CO 0.00 -1.77 1.77 0.41 0.70 0.00 0.00 175.22 176.32 1cur n GLY 84 N 5.59 -0.31 3.54 4.36 0.00 -1.26 -4.81 105.19 112.30 1cur n GLY 84 Ca 0.47 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 1cur n GLY 84 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1cur n HIS 85 N 14.51 -0.30 -4.45 1.61 -0.00 -1.26 -2.87 115.22 122.45 1cur n HIS 85 Ca 0.28 0.23 -0.23 0.00 -0.00 0.00 0.00 57.72 58.01 1cur n HIS 85 Cb 0.47 -1.85 -0.10 0.00 -0.00 0.00 0.00 29.99 28.50 1cur n HIS 85 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1cur s SER 86 N -2.38 3.32 -0.22 0.41 1.04 -1.26 -0.91 113.70 113.71 1cur s SER 86 Ca 0.64 -1.06 -0.00 0.00 0.48 0.00 0.00 55.95 56.01 1cur s SER 86 Cb -0.22 -0.26 0.06 0.00 0.10 0.00 0.00 66.02 65.70 1cur s SER 86 CO 0.62 -0.06 -0.03 0.12 0.98 0.00 0.00 173.24 174.87 1cur s PHE 87 N -2.66 1.99 -0.08 5.02 2.19 -1.25 -4.10 117.98 119.09 1cur s PHE 87 Ca 0.29 -1.48 0.02 0.00 0.33 0.00 0.00 56.93 56.09 1cur s PHE 87 Cb -0.03 -1.42 0.01 0.00 -1.31 0.00 0.00 43.02 40.28 1cur s PHE 87 CO 0.13 -0.72 -0.15 -0.51 1.83 0.00 0.00 175.22 175.80 1cur s ASP 88 N 1.53 2.13 -0.13 6.13 1.11 0.46 -0.32 116.67 127.57 1cur s ASP 88 Ca -0.04 -0.37 -0.04 0.00 0.18 0.00 0.00 52.55 52.28 1cur s ASP 88 Cb -0.18 -0.97 -0.03 0.00 1.07 0.00 0.00 42.92 42.80 1cur s ASP 88 CO -0.07 0.05 0.02 -0.63 1.18 0.00 0.00 175.17 175.72 1cur s ILE 89 N 0.69 4.40 0.00 0.77 1.01 0.74 -0.82 121.20 127.99 1cur s ILE 89 Ca -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1cur s ILE 89 Cb -0.16 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1cur s ILE 89 CO 0.03 0.53 0.00 1.07 0.00 0.00 0.00 174.94 176.58 1cur n THR 90 N 2.92 0.00 -0.33 2.92 5.66 -0.11 -0.73 114.28 124.60 1cur n THR 90 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1cur n THR 90 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1cur n THR 90 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1cur n LYS 91 N 0.00 1.83 -1.90 1.09 5.02 -1.26 -0.09 118.16 122.84 1cur n LYS 91 Ca 0.00 -1.11 -0.42 0.00 -2.02 0.00 0.00 58.31 54.75 1cur n LYS 91 Cb 0.00 -0.84 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 1cur n LYS 91 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cur s LYS 92 N -0.63 4.18 0.74 1.97 -0.14 -1.26 -4.78 119.74 119.81 1cur s LYS 92 Ca 0.00 2.33 -0.11 0.00 -1.36 0.00 0.00 55.97 56.83 1cur s LYS 92 Cb 0.00 -3.92 0.04 0.00 -1.68 0.00 0.00 37.83 32.27 1cur s LYS 92 CO 0.00 -0.84 1.12 0.20 -0.76 0.00 0.00 175.35 175.06 1cur s GLY 93 N 3.34 1.62 0.82 -3.33 0.00 -1.26 -4.63 107.32 103.88 1cur s GLY 93 Ca 0.77 -0.47 -0.11 0.00 0.00 0.00 0.00 44.72 44.91 1cur s GLY 93 CO 0.33 -0.06 1.09 2.56 0.00 0.00 0.00 173.10 177.02 1cur s PRO 94 N -5.42 1.86 0.46 2.90 0.04 -1.26 -4.50 135.00 129.07 1cur s PRO 94 Ca 0.59 1.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.47 1cur s PRO 94 Cb -0.11 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1cur s PRO 94 CO 0.50 -1.89 1.00 -1.25 0.04 0.00 0.00 177.00 175.41 1cur s PRO 95 N -4.91 4.00 0.31 0.56 0.04 -1.26 -5.16 135.00 128.58 1cur s PRO 95 Ca 0.62 1.28 -0.09 0.00 0.04 0.00 0.00 61.00 62.85 1cur s PRO 95 Cb -0.18 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 1cur s PRO 95 CO 0.56 -0.25 0.64 0.71 0.04 0.00 0.00 177.00 178.70 1cur s TYR 96 N -2.02 3.45 0.41 0.56 2.02 -1.26 -5.06 117.35 115.44 1cur s TYR 96 Ca 0.64 0.89 -0.20 0.00 -0.37 0.00 0.00 57.07 58.03 1cur s TYR 96 Cb -0.14 -2.30 -0.11 0.00 -0.40 0.00 0.00 41.96 39.01 1cur s TYR 96 CO 0.18 0.10 0.92 0.00 -1.57 0.00 0.00 175.55 175.18 1cur s ALA 97 N -2.09 3.09 0.22 3.71 0.00 -1.26 -4.23 121.76 121.19 1cur s ALA 97 Ca 0.48 0.35 -0.09 0.00 0.00 0.00 0.00 51.96 52.70 1cur s ALA 97 Cb -0.11 -3.09 0.18 0.00 0.00 0.00 0.00 23.12 20.10 1cur s ALA 97 CO 0.27 0.16 1.89 0.28 0.00 0.00 0.00 175.76 178.36 1cur h VAL 98 N 1.96 1.20 -3.38 0.00 2.07 -1.96 -3.38 116.25 112.75 1cur h VAL 98 Ca -0.49 -0.37 -0.54 0.00 0.82 0.00 0.00 66.70 66.13 1cur h VAL 98 Cb 1.18 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1cur h VAL 98 CO 0.62 0.20 0.41 -0.04 0.02 0.00 0.00 177.57 178.77 1cur s MET 99 N -6.13 4.55 -1.10 1.57 -1.94 -1.26 -0.40 119.30 114.58 1cur s MET 99 Ca -0.13 1.49 -0.22 0.00 -1.71 0.00 0.00 55.69 55.12 1cur s MET 99 Cb 0.16 -3.43 -0.00 0.00 2.01 0.00 0.00 34.83 33.56 1cur s MET 99 CO 0.79 -0.07 1.76 -1.25 -0.01 0.00 0.00 175.02 176.24 1cur s PRO 100 N 0.94 3.17 -1.11 2.03 0.04 -1.26 -4.87 135.00 133.94 1cur s PRO 100 Ca 0.53 -1.16 -0.22 0.00 0.04 0.00 0.00 61.00 60.20 1cur s PRO 100 Cb -0.23 -5.31 0.02 0.00 0.04 0.00 0.00 34.50 29.03 1cur s PRO 100 CO 0.28 -2.94 1.69 0.08 0.04 0.00 0.00 177.00 176.16 1cur s VAL 101 N 7.51 3.85 -1.04 -0.36 1.01 -1.26 -4.88 120.40 125.23 1cur s VAL 101 Ca 0.59 -1.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.28 1cur s VAL 101 Cb -0.01 -4.85 0.00 0.00 0.00 0.00 0.00 36.38 31.53 1cur s VAL 101 CO 0.02 -1.66 1.71 0.27 0.00 0.00 0.00 175.10 175.45 1cur s ILE 102 N 6.50 3.75 0.73 2.22 -4.36 -1.26 -4.95 121.20 123.82 1cur s ILE 102 Ca 0.56 -0.82 -0.15 0.00 -0.26 0.00 0.00 60.65 59.98 1cur s ILE 102 Cb -0.00 -4.68 0.04 0.00 1.25 0.00 0.00 42.46 39.07 1cur s ILE 102 CO 0.00 -1.51 1.20 -1.81 0.24 0.00 0.00 174.94 173.06 1cur s ASP 103 N 6.05 4.24 -0.55 4.36 1.01 -1.26 -4.76 116.67 125.77 1cur s ASP 103 Ca 0.58 2.34 -0.41 0.00 0.71 0.00 0.00 52.55 55.76 1cur s ASP 103 Cb -0.02 -2.59 -0.19 0.00 1.01 0.00 0.00 42.92 41.14 1cur s ASP 103 CO -0.02 -2.23 2.16 -2.65 0.21 0.00 0.00 175.17 172.64 1cur n PRO 104 N -2.70 0.00 -2.62 8.23 -0.02 -1.26 -4.87 135.00 131.75 1cur n PRO 104 Ca 0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 1cur n PRO 104 Cb 0.50 -1.46 -0.03 0.00 -0.02 0.00 0.00 33.50 32.49 1cur n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1cur s ILE 105 N 6.22 4.62 0.00 4.25 -1.09 -1.26 -4.71 121.20 129.23 1cur s ILE 105 Ca 1.19 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 61.50 1cur s ILE 105 Cb -1.43 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 35.23 1cur s ILE 105 CO 0.62 0.05 0.00 0.52 -1.23 0.00 0.00 174.94 174.90 1cur n VAL 106 N 4.36 0.00 -3.68 2.92 0.31 0.09 -4.92 118.33 117.41 1cur n VAL 106 Ca 0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.10 1cur n VAL 106 Cb 0.48 -0.15 -0.05 0.00 -0.91 0.00 0.00 33.84 33.22 1cur n VAL 106 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cur s ALA 107 N -4.13 3.80 0.00 3.52 0.00 -1.22 -4.99 121.76 118.74 1cur s ALA 107 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1cur s ALA 107 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.00 1cur s ALA 107 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.84 1cur n GLY 108 N 0.06 0.80 3.69 0.00 0.00 -1.26 -0.19 105.19 108.29 1cur n GLY 108 Ca -0.02 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 1cur n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cur s THR 109 N -2.00 4.17 0.54 2.61 -4.23 0.56 -0.52 115.64 116.77 1cur s THR 109 Ca 0.00 -0.64 -0.10 0.00 -1.18 0.00 0.00 61.69 59.77 1cur s THR 109 Cb 0.00 -2.88 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 1cur s THR 109 CO 0.00 0.34 0.93 -0.83 -0.54 0.00 0.00 174.62 174.52 1cur s GLY 110 N -1.67 1.72 0.08 3.99 0.00 -0.08 -3.97 107.32 107.40 1cur s GLY 110 Ca 0.21 -0.16 -0.36 0.00 0.00 0.00 0.00 44.72 44.41 1cur s GLY 110 CO 0.12 0.07 0.97 0.69 0.00 0.00 0.00 173.10 174.95 1cur n PHE 111 N -2.24 0.53 -1.33 1.90 3.72 -1.26 -4.77 117.46 114.01 1cur n PHE 111 Ca 0.04 0.95 -0.32 0.00 -0.05 0.00 0.00 57.45 58.08 1cur n PHE 111 Cb 0.54 -2.11 0.09 0.00 -0.94 0.00 0.00 39.48 37.07 1cur n PHE 111 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1cur s SER 112 N -0.20 4.48 1.17 4.37 1.04 -0.09 -4.94 113.70 119.53 1cur s SER 112 Ca 0.81 1.93 -0.16 0.00 0.48 0.00 0.00 55.95 59.01 1cur s SER 112 Cb -1.10 -2.54 0.24 0.00 0.10 0.00 0.00 66.02 62.72 1cur s SER 112 CO 0.55 -2.05 0.92 -0.81 0.98 0.00 0.00 173.24 172.82 1cur n PRO 113 N -3.29 -2.50 -3.93 4.02 -0.04 -1.26 -4.27 135.00 123.73 1cur n PRO 113 Ca 0.10 -1.46 -0.33 0.00 -0.04 0.00 0.00 63.50 61.78 1cur n PRO 113 Cb 0.53 -1.30 -0.14 0.00 -0.04 0.00 0.00 33.50 32.55 1cur n PRO 113 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cur s VAL 114 N -2.72 2.66 1.26 0.52 1.01 -1.26 -4.71 120.40 117.16 1cur s VAL 114 Ca 0.58 -2.36 -0.17 0.00 0.00 0.00 0.00 61.98 60.04 1cur s VAL 114 Cb -0.05 -2.89 0.31 0.00 0.00 0.00 0.00 36.38 33.75 1cur s VAL 114 CO 0.44 -0.65 1.00 -2.84 0.00 0.00 0.00 175.10 173.05 1cur s PRO 115 N 0.85 -1.67 0.11 2.72 0.02 -1.26 -4.99 135.00 130.77 1cur s PRO 115 Ca 0.11 0.48 -0.07 0.00 0.02 0.00 0.00 61.00 61.54 1cur s PRO 115 Cb -0.21 -1.50 -0.01 0.00 0.02 0.00 0.00 34.50 32.81 1cur s PRO 115 CO -0.06 -4.13 0.18 0.15 -0.33 0.00 0.00 177.00 172.80 1cur s LYS 116 N -4.77 0.92 2.47 5.54 1.02 -1.26 -4.95 119.74 118.70 1cur s LYS 116 Ca 0.68 -1.10 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1cur s LYS 116 Cb -0.19 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1cur s LYS 116 CO 0.61 -0.29 0.00 -0.25 -0.92 0.00 0.00 175.35 174.50 1cur n ASP 117 N -0.09 0.00 -1.29 2.83 8.00 -1.26 -1.07 116.55 123.67 1cur n ASP 117 Ca -0.12 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.46 1cur n ASP 117 Cb 0.63 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 42.03 1cur n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cur n GLY 118 N 0.00 3.30 3.85 0.44 0.00 -1.26 -4.97 105.19 106.55 1cur n GLY 118 Ca 0.00 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 1cur n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cur s LYS 119 N -2.34 3.96 -0.37 1.61 1.02 -0.23 -1.46 119.74 121.93 1cur s LYS 119 Ca 0.45 0.64 0.00 0.00 0.02 0.00 0.00 55.97 57.08 1cur s LYS 119 Cb 0.33 -2.41 0.12 0.00 -0.52 0.00 0.00 37.83 35.35 1cur s LYS 119 CO 0.15 0.11 0.18 -0.06 -0.92 0.00 0.00 175.35 174.82 1cur s PHE 120 N -2.07 1.41 -0.28 3.18 0.40 0.47 -4.37 117.98 116.72 1cur s PHE 120 Ca 0.54 -1.88 -0.39 0.00 -0.60 0.00 0.00 56.93 54.60 1cur s PHE 120 Cb -0.10 -1.49 -0.15 0.00 0.51 0.00 0.00 43.02 41.79 1cur s PHE 120 CO 0.20 -0.83 1.85 0.41 0.70 0.00 0.00 175.22 177.55 1cur n GLY 121 N 4.19 0.85 3.10 4.36 0.00 -1.26 -0.12 105.19 116.31 1cur n GLY 121 Ca 0.05 0.93 -0.08 0.00 0.00 0.00 0.00 46.02 46.93 1cur n GLY 121 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1cur s TYR 122 N 4.30 0.58 -0.00 1.61 1.13 0.23 -1.82 117.35 123.38 1cur s TYR 122 Ca 1.00 -1.02 -0.05 0.00 -1.41 0.00 0.00 57.07 55.59 1cur s TYR 122 Cb -1.01 -0.41 -0.00 0.00 -1.10 0.00 0.00 41.96 39.44 1cur s TYR 122 CO 0.62 -0.33 0.10 0.99 -2.51 0.00 0.00 175.55 174.42 1cur s THR 123 N -3.77 0.08 -0.45 -3.49 2.01 -0.24 -1.05 115.64 108.73 1cur s THR 123 Ca 0.07 -0.63 0.09 0.00 0.31 0.00 0.00 61.69 61.52 1cur s THR 123 Cb 0.07 -0.36 0.30 0.00 0.01 0.00 0.00 72.50 72.51 1cur s THR 123 CO -0.09 -0.35 0.69 0.47 -0.69 0.00 0.00 174.62 174.65 1cur n ASP 124 N 1.71 1.56 -4.81 3.53 8.00 -1.25 -0.13 116.55 125.17 1cur n ASP 124 Ca -0.21 -3.06 -0.33 0.00 0.71 0.00 0.00 54.79 51.89 1cur n ASP 124 Cb 0.56 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 1cur n ASP 124 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1cur s PHE 125 N -2.13 3.13 0.01 1.24 -0.12 -1.12 -4.79 117.98 114.19 1cur s PHE 125 Ca 0.39 1.58 0.08 0.00 -0.05 0.00 0.00 56.93 58.93 1cur s PHE 125 Cb 0.24 -2.97 -0.03 0.00 -0.63 0.00 0.00 43.02 39.64 1cur s PHE 125 CO -0.09 -0.58 -0.22 0.99 -0.05 0.00 0.00 175.22 175.27 1cur s THR 126 N -2.13 2.41 0.10 -4.49 2.01 -1.26 -0.60 115.64 111.68 1cur s THR 126 Ca 0.65 -1.17 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 1cur s THR 126 Cb -0.13 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 1cur s THR 126 CO 0.20 0.45 0.16 0.86 -0.69 0.00 0.00 174.62 175.60 1cur s TRP 127 N -0.77 0.30 -0.41 4.92 -0.00 0.52 -4.97 118.94 118.53 1cur s TRP 127 Ca 0.12 -0.74 0.02 0.00 -0.00 0.00 0.00 56.10 55.50 1cur s TRP 127 Cb -0.10 -0.14 0.13 0.00 -0.00 0.00 0.00 33.47 33.35 1cur s TRP 127 CO 0.02 -0.55 0.20 -1.01 -0.00 0.00 0.00 176.95 175.61 1cur s HIS 128 N -3.90 1.99 0.42 5.86 3.76 -1.26 0.14 115.29 122.29 1cur s HIS 128 Ca 0.09 -2.31 -0.24 0.00 -0.15 0.00 0.00 55.06 52.44 1cur s HIS 128 Cb 0.05 -1.89 -0.08 0.00 1.11 0.00 0.00 32.58 31.77 1cur s HIS 128 CO -0.08 -0.81 1.13 -2.14 -0.85 0.00 0.00 174.74 171.99 1cur s PRO 129 N 0.63 4.00 0.28 8.40 0.02 -1.26 -4.81 135.00 142.26 1cur s PRO 129 Ca 0.16 1.73 -0.03 0.00 0.02 0.00 0.00 61.00 62.87 1cur s PRO 129 Cb -0.23 -2.56 -0.05 0.00 0.02 0.00 0.00 34.50 31.68 1cur s PRO 129 CO -0.05 -0.33 0.52 0.95 -0.33 0.00 0.00 177.00 177.76 1cur s THR 130 N -1.52 5.08 0.54 0.99 -4.23 -1.26 -0.95 115.64 114.29 1cur s THR 130 Ca 0.59 -0.10 -0.22 0.00 -1.18 0.00 0.00 61.69 60.78 1cur s THR 130 Cb -0.28 -3.75 -0.05 0.00 1.34 0.00 0.00 72.50 69.77 1cur s THR 130 CO 0.34 -0.32 1.37 0.00 -0.54 0.00 0.00 174.62 175.48 1cur n ALA 131 N -0.97 1.64 0.00 3.99 0.00 -1.26 -4.66 120.51 119.25 1cur n ALA 131 Ca -0.03 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1cur n ALA 131 Cb 0.54 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1cur n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cur n GLY 132 N 0.74 0.34 3.37 0.00 0.00 0.56 -4.97 105.19 105.22 1cur n GLY 132 Ca 0.10 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 1cur n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cur s THR 133 N 0.00 0.02 0.33 2.61 2.01 -1.26 -0.74 115.64 118.60 1cur s THR 133 Ca 0.00 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 61.90 1cur s THR 133 Cb 0.00 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1cur s THR 133 CO 0.00 -0.07 0.16 -0.31 -0.69 0.00 0.00 174.62 173.70 1cur s TYR 134 N -0.45 1.66 0.01 4.92 1.51 0.51 -4.84 117.35 120.68 1cur s TYR 134 Ca -0.06 -1.36 -0.03 0.00 -1.01 0.00 0.00 57.07 54.61 1cur s TYR 134 Cb -0.03 -0.92 -0.01 0.00 -0.11 0.00 0.00 41.96 40.89 1cur s TYR 134 CO 0.03 -0.49 0.03 0.71 -1.11 0.00 0.00 175.55 174.73 1cur s TYR 135 N -3.51 0.18 0.01 2.71 1.51 0.87 -0.32 117.35 118.80 1cur s TYR 135 Ca 0.34 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 56.06 1cur s TYR 135 Cb 0.04 -0.14 -0.03 0.00 -0.11 0.00 0.00 41.96 41.72 1cur s TYR 135 CO 0.18 -0.22 -0.11 1.52 -1.11 0.00 0.00 175.55 175.80 1cur s TYR 136 N -1.43 2.76 0.13 2.71 1.13 -0.06 -0.94 117.35 121.66 1cur s TYR 136 Ca -0.16 -0.12 -0.10 0.00 -1.41 0.00 0.00 57.07 55.28 1cur s TYR 136 Cb -0.09 -1.56 0.00 0.00 -1.10 0.00 0.00 41.96 39.21 1cur s TYR 136 CO -0.00 0.32 0.28 0.14 -2.51 0.00 0.00 175.55 173.78 1cur s VAL 137 N -0.95 0.09 -0.13 -3.49 -7.23 0.00 -1.71 120.40 106.97 1cur s VAL 137 Ca 0.16 -1.16 -0.06 0.00 -1.81 0.00 0.00 61.98 59.10 1cur s VAL 137 Cb -0.11 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 1cur s VAL 137 CO 0.06 -0.42 0.09 0.00 -0.31 0.00 0.00 175.10 174.53 1cur h GLN 139 N 5.54 0.00 -6.60 0.00 4.20 -1.94 -3.34 115.11 112.97 1cur h GLN 139 Ca -0.49 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 57.70 1cur h GLN 139 Cb 1.20 0.00 0.04 0.00 0.30 0.00 0.00 27.48 29.02 1cur h GLN 139 CO 0.62 0.00 0.91 0.42 -0.67 0.00 0.00 178.83 180.10 1cur s ILE 140 N -3.15 2.58 0.55 2.54 1.01 -1.26 -4.67 121.20 118.80 1cur s ILE 140 Ca 0.09 0.39 -0.18 0.00 0.00 0.00 0.00 60.65 60.95 1cur s ILE 140 Cb 0.10 -3.25 -0.10 0.00 0.01 0.00 0.00 42.46 39.22 1cur s ILE 140 CO 0.64 0.03 0.36 -2.65 0.00 0.00 0.00 174.94 173.31 1cur n PRO 141 N 4.14 0.37 0.00 2.79 -0.02 -1.26 -3.03 135.00 137.99 1cur n PRO 141 Ca 0.14 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1cur n PRO 141 Cb 0.38 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1cur n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cur n GLY 142 N 1.97 1.00 0.30 -1.23 0.00 0.46 -4.75 105.19 102.95 1cur n GLY 142 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 1cur n GLY 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1cur h HIS 143 N 0.00 -0.73 -0.51 1.61 3.86 -1.84 0.10 115.15 117.65 1cur h HIS 143 Ca 0.00 0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.33 1cur h HIS 143 Cb 0.00 0.36 -0.06 0.00 1.06 0.00 0.00 27.41 28.77 1cur h HIS 143 CO 0.00 -0.34 0.17 0.00 0.86 0.00 0.00 177.93 178.61 1cur h ALA 144 N 0.74 0.61 -0.54 2.45 0.00 -1.72 0.18 119.26 120.98 1cur h ALA 144 Ca 0.14 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1cur h ALA 144 Cb 0.49 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1cur h ALA 144 CO -0.42 -0.23 0.04 0.00 0.00 0.00 0.00 179.25 178.64 1cur h ALA 145 N 1.35 0.72 0.02 0.00 0.00 -1.42 -3.36 119.26 116.56 1cur h ALA 145 Ca 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cur h ALA 145 Cb 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1cur h ALA 145 CO -0.26 0.50 -0.01 1.79 0.00 0.00 0.00 179.25 181.27 1cur h THR 146 N 0.80 0.19 0.00 0.00 1.35 -0.52 -3.44 112.91 111.29 1cur h THR 146 Ca 0.16 -1.12 -0.02 0.00 -0.55 0.00 0.00 66.41 64.88 1cur h THR 146 Cb 0.47 0.36 -0.02 0.00 -1.73 0.00 0.00 68.15 67.23 1cur h THR 146 CO 0.02 0.06 -0.03 0.61 -0.25 0.00 0.00 175.52 175.93 1cur n GLY 147 N 1.71 -0.62 2.54 5.82 0.00 -0.08 -5.03 105.19 109.52 1cur n GLY 147 Ca -0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1cur n GLY 147 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1cur n MET 148 N -0.14 2.27 -2.58 1.61 0.00 0.45 -3.47 117.12 115.25 1cur n MET 148 Ca -0.02 -4.32 -0.06 0.00 0.00 0.00 0.00 57.70 53.29 1cur n MET 148 Cb 0.50 -2.01 -0.01 0.00 0.00 0.00 0.00 33.22 31.70 1cur n MET 148 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 175.97 177.94 1cur n PHE 149 N 0.44 -1.09 0.00 1.12 -1.74 -1.26 -2.59 117.46 112.34 1cur n PHE 149 Ca 0.28 -1.03 0.00 0.00 -0.56 0.00 0.00 57.45 56.14 1cur n PHE 149 Cb 0.46 0.30 0.00 0.00 1.52 0.00 0.00 39.48 41.76 1cur n PHE 149 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1cur n GLY 150 N -0.26 0.22 3.38 4.97 0.00 -0.70 -4.35 105.19 108.45 1cur n GLY 150 Ca -0.01 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 1cur n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cur s LYS 151 N -2.00 1.69 -0.37 1.61 3.01 -1.23 -0.88 119.74 121.56 1cur s LYS 151 Ca 0.00 -1.18 0.01 0.00 -1.01 0.00 0.00 55.97 53.79 1cur s LYS 151 Cb 0.00 -1.98 0.11 0.00 -1.01 0.00 0.00 37.83 34.95 1cur s LYS 151 CO 0.00 0.49 0.15 0.42 0.51 0.00 0.00 175.35 176.92 1cur s ILE 152 N -0.92 1.41 -0.04 2.17 1.01 0.56 -0.48 121.20 124.91 1cur s ILE 152 Ca 0.13 -2.09 -0.22 0.00 0.00 0.00 0.00 60.65 58.47 1cur s ILE 152 Cb -0.10 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 1cur s ILE 152 CO 0.04 -0.75 0.63 -0.69 0.00 0.00 0.00 174.94 174.18 1cur s VAL 153 N 0.93 4.99 -0.16 2.92 1.01 0.50 -0.37 120.40 130.23 1cur s VAL 153 Ca 0.13 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.44 1cur s VAL 153 Cb -0.21 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.22 1cur s VAL 153 CO -0.12 0.33 -0.18 -0.69 0.00 0.00 0.00 175.10 174.45 1cur s VAL 154 N 0.33 1.82 0.00 2.92 1.01 0.08 -0.58 120.40 125.99 1cur s VAL 154 Ca 0.33 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1cur s VAL 154 Cb -0.18 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1cur s VAL 154 CO 0.17 0.50 0.00 0.29 0.00 0.00 0.00 175.10 176.06