#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 0.20 0.00 2.61 1.35 -1.88 0.10 112.91 115.29 1cur h THR 2 Ca 0.00 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 1cur h THR 2 Cb 0.00 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1cur h THR 2 CO 0.00 0.11 0.00 0.18 -0.25 0.00 0.00 175.52 175.56 1cur n LEU 3 N -2.91 0.00 -0.30 3.87 7.99 -1.25 -1.30 117.00 123.10 1cur n LEU 3 Ca -0.00 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 56.03 1cur n LEU 3 Cb 0.62 0.00 0.17 0.00 -0.11 0.00 0.00 43.42 44.10 1cur n LEU 3 CO 0.39 0.00 1.15 -0.78 -1.51 0.00 0.00 177.39 176.64 1cur h ASP 4 N 0.00 0.70 0.00 -1.43 3.58 -0.86 -3.46 116.42 114.95 1cur h ASP 4 Ca 0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1cur h ASP 4 Cb 0.00 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1cur h ASP 4 CO 0.00 0.40 0.00 0.35 -2.88 0.00 0.00 179.24 177.11 1cur n THR 5 N -4.73 0.00 -1.91 2.25 -2.24 -0.42 -4.79 114.28 102.44 1cur n THR 5 Ca 0.14 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.51 1cur n THR 5 Cb 0.28 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.00 3.19 -4.31 4.28 -1.04 -1.26 -4.90 114.28 110.23 1cur n THR 6 Ca 0.00 -3.00 -0.34 0.00 -2.04 0.00 0.00 64.05 58.67 1cur n THR 6 Cb 0.00 -2.45 -0.10 0.00 -1.82 0.00 0.00 70.33 65.96 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 4.50 3.13 0.28 -1.42 0.52 -1.26 -2.15 118.94 122.54 1cur s TRP 7 Ca 0.53 -0.01 -0.04 0.00 0.02 0.00 0.00 56.10 56.60 1cur s TRP 7 Cb 0.10 -1.90 0.02 0.00 -1.15 0.00 0.00 33.47 30.53 1cur s TRP 7 CO 0.01 0.23 0.43 1.63 0.02 0.00 0.00 176.95 179.27 1cur n LYS 8 N 2.91 0.62 -4.06 4.98 5.02 -0.48 -5.00 118.16 122.16 1cur n LYS 8 Ca -0.18 -2.04 -0.13 0.00 -2.02 0.00 0.00 58.31 53.94 1cur n LYS 8 Cb 0.53 2.08 -0.12 0.00 -0.02 0.00 0.00 35.03 37.51 1cur n LYS 8 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1cur s GLU 9 N -2.48 0.49 0.00 1.97 8.01 -1.26 -0.48 118.70 124.95 1cur s GLU 9 Ca 0.20 -0.69 0.00 0.00 0.01 0.00 0.00 54.97 54.49 1cur s GLU 9 Cb -0.01 -0.25 0.00 0.00 -4.31 0.00 0.00 34.13 29.55 1cur s GLU 9 CO 0.14 0.04 0.00 0.00 0.01 0.00 0.00 175.26 175.46 1cur n ALA 10 N 1.62 0.00 -2.32 5.21 0.00 0.38 -4.88 120.51 120.51 1cur n ALA 10 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.04 1cur n ALA 10 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 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 1.64 0.36 0.19 0.00 -4.23 -1.26 -0.19 115.64 112.15 1cur s THR 11 Ca 0.00 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.28 1cur s THR 11 Cb 0.00 -2.54 0.09 0.00 1.34 0.00 0.00 72.50 71.39 1cur s THR 11 CO 0.00 0.00 1.48 -0.11 -0.54 0.00 0.00 174.62 175.45 1cur n LEU 12 N -0.53 -0.81 -0.15 4.79 0.00 -1.08 -0.63 117.00 118.60 1cur n LEU 12 Ca 0.01 1.69 0.15 0.00 0.00 0.00 0.00 56.01 57.86 1cur n LEU 12 Cb 0.65 -0.31 0.51 0.00 0.00 0.00 0.00 43.42 44.27 1cur n LEU 12 CO 0.35 -1.45 1.21 1.55 0.00 0.00 0.00 177.39 179.05 1cur h PRO 13 N 0.00 0.39 0.00 1.96 0.13 -1.98 0.89 132.00 133.39 1cur h PRO 13 Ca 0.25 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.29 1cur h PRO 13 Cb 0.49 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 1cur h PRO 13 CO -0.93 0.26 -0.29 1.96 -0.23 0.00 0.00 178.00 178.77 1cur h GLN 14 N 0.41 0.00 0.15 0.86 7.50 -1.28 -0.47 115.11 122.28 1cur h GLN 14 Ca 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.50 1cur h GLN 14 Cb 0.80 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.33 1cur h GLN 14 CO -0.11 0.29 -0.10 0.28 -1.50 0.00 0.00 178.83 177.69 1cur h VAL 15 N 0.00 0.79 -0.01 -0.54 2.07 -0.73 0.13 116.25 117.96 1cur h VAL 15 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1cur h VAL 15 Cb 0.64 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1cur h VAL 15 CO 0.04 0.00 -0.14 0.11 0.02 0.00 0.00 177.57 177.60 1cur h LYS 16 N -0.24 -0.22 -0.27 1.57 1.57 -1.37 -0.12 116.57 117.49 1cur h LYS 16 Ca -0.01 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1cur h LYS 16 Cb 0.21 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.49 1cur h LYS 16 CO 0.01 -0.15 -0.32 0.00 -0.57 0.00 0.00 179.45 178.42 1cur h ALA 17 N 0.73 -0.27 0.21 3.86 0.00 -0.88 0.37 119.26 123.27 1cur h ALA 17 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1cur h ALA 17 Cb 0.29 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1cur h ALA 17 CO -0.14 -0.76 -0.21 0.52 0.00 0.00 0.00 179.25 178.66 1cur h MET 18 N -0.32 -0.44 -0.54 0.00 2.86 -0.43 -2.48 114.93 113.58 1cur h MET 18 Ca 0.13 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.91 1cur h MET 18 Cb 0.54 0.10 -0.09 0.00 0.06 0.00 0.00 31.60 32.21 1cur h MET 18 CO -0.45 -0.29 0.03 -0.07 1.06 0.00 0.00 176.91 177.19 1cur h LEU 19 N -0.45 -0.18 -1.81 1.22 3.38 -0.56 0.13 115.31 117.03 1cur h LEU 19 Ca -0.00 0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.23 1cur h LEU 19 Cb 0.43 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1cur h LEU 19 CO -0.05 -0.06 0.41 -0.33 0.09 0.00 0.00 178.44 178.49 1cur h GLU 20 N 0.15 0.19 -0.47 1.13 5.08 -0.66 -0.12 114.58 119.87 1cur h GLU 20 Ca 0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1cur h GLU 20 Cb 0.42 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1cur h GLU 20 CO -0.43 0.12 0.00 1.63 -1.00 0.00 0.00 179.01 179.33 1cur n LYS 21 N -4.43 2.14 -2.12 2.33 4.01 0.42 -4.87 118.16 115.64 1cur n LYS 21 Ca 0.11 -1.58 -0.43 0.00 -0.51 0.00 0.00 58.31 55.90 1cur n LYS 21 Cb 0.52 -1.40 -0.03 0.00 -0.51 0.00 0.00 35.03 33.61 1cur n LYS 21 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1cur s ASP 22 N -0.94 6.01 0.00 4.39 -1.08 -0.06 -4.81 116.67 120.18 1cur s ASP 22 Ca 0.29 1.09 0.00 0.00 -0.52 0.00 0.00 52.55 53.41 1cur s ASP 22 Cb 0.16 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1cur s ASP 22 CO 0.18 -1.65 1.52 0.35 0.52 0.00 0.00 175.17 176.09 1cur n THR 23 N 7.29 1.52 -3.77 1.71 -2.24 -1.23 -4.77 114.28 112.80 1cur n THR 23 Ca 0.21 -0.30 -0.37 0.00 -2.27 0.00 0.00 64.05 61.31 1cur n THR 23 Cb 0.47 -1.29 -0.12 0.00 -2.10 0.00 0.00 70.33 67.30 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 1.65 1.86 0.46 3.38 0.00 -1.26 -3.56 107.32 109.84 1cur s GLY 24 Ca 0.00 -1.90 -0.20 0.00 0.00 0.00 0.00 44.72 42.62 1cur s GLY 24 CO 0.00 0.81 0.97 0.54 0.00 0.00 0.00 173.10 175.43 1cur s LYS 25 N 1.34 4.09 0.44 2.90 1.02 0.68 -4.73 119.74 125.49 1cur s LYS 25 Ca -0.01 1.15 -0.23 0.00 0.02 0.00 0.00 55.97 56.90 1cur s LYS 25 Cb -0.20 -2.15 -0.08 0.00 -0.52 0.00 0.00 37.83 34.87 1cur s LYS 25 CO 0.01 -0.16 1.15 0.08 -0.92 0.00 0.00 175.35 175.52 1cur s VAL 26 N -2.20 3.18 -0.44 3.17 1.01 -1.26 -0.30 120.40 123.56 1cur s VAL 26 Ca 0.63 0.91 0.07 0.00 0.00 0.00 0.00 61.98 63.59 1cur s VAL 26 Cb -0.11 -3.47 0.26 0.00 0.00 0.00 0.00 36.38 33.07 1cur s VAL 26 CO 0.17 0.01 0.75 -1.20 0.00 0.00 0.00 175.10 174.82 1cur n SER 27 N -0.35 -1.31 0.00 3.32 7.64 0.12 -4.75 113.62 118.28 1cur n SER 27 Ca 0.07 -3.07 0.00 0.00 1.01 0.00 0.00 58.87 56.88 1cur n SER 27 Cb 0.48 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 64.32 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 1.33 1.64 0.08 0.23 0.00 -1.26 -0.68 105.19 106.53 1cur n GLY 28 Ca 0.15 0.19 -0.04 0.00 0.00 0.00 0.00 46.02 46.32 1cur n GLY 28 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1cur h ASP 29 N 0.00 0.00 -3.64 1.61 2.03 -1.98 -3.47 116.42 110.96 1cur h ASP 29 Ca 0.00 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.80 1cur h ASP 29 Cb 0.00 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.51 1cur h ASP 29 CO 0.00 0.86 0.09 -0.89 -1.03 0.00 0.00 179.24 178.27 1cur s THR 30 N -2.78 4.82 -0.07 1.15 2.01 0.14 -3.78 115.64 117.13 1cur s THR 30 Ca 0.02 0.54 0.06 0.00 0.31 0.00 0.00 61.69 62.61 1cur s THR 30 Cb 0.09 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 1cur s THR 30 CO 0.80 -0.53 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.27 1cur s VAL 31 N -2.37 2.12 -0.16 3.82 1.01 0.38 0.12 120.40 125.31 1cur s VAL 31 Ca 0.50 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1cur s VAL 31 Cb -0.10 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1cur s VAL 31 CO 0.32 0.57 -0.16 -0.89 0.00 0.00 0.00 175.10 174.94 1cur s THR 32 N -0.09 1.74 0.68 3.92 2.01 0.58 -0.68 115.64 123.80 1cur s THR 32 Ca -0.06 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.16 1cur s THR 32 Cb -0.14 -1.61 0.06 0.00 0.01 0.00 0.00 72.50 70.82 1cur s THR 32 CO 0.04 0.49 0.97 -0.31 -0.69 0.00 0.00 174.62 175.12 1cur s TYR 33 N 1.42 2.76 -0.00 4.92 1.51 0.04 -0.23 117.35 127.76 1cur s TYR 33 Ca 0.05 0.28 -0.18 0.00 -1.01 0.00 0.00 57.07 56.21 1cur s TYR 33 Cb -0.13 -3.12 0.03 0.00 -0.11 0.00 0.00 41.96 38.64 1cur s TYR 33 CO -0.11 -1.36 0.40 -1.12 -1.11 0.00 0.00 175.55 172.25 1cur s SER 34 N -4.53 -0.29 0.16 2.29 0.01 -1.23 -4.58 113.70 105.53 1cur s SER 34 Ca 0.60 0.15 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1cur s SER 34 Cb -0.10 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1cur s SER 34 CO 0.43 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1cur n GLY 35 N 0.96 -1.73 0.15 3.44 0.00 -1.26 -4.46 105.19 102.29 1cur n GLY 35 Ca -0.20 -1.36 0.02 0.00 0.00 0.00 0.00 46.02 44.48 1cur n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cur h LYS 36 N -0.58 0.00 -4.69 1.61 1.57 -1.94 -3.40 116.57 109.14 1cur h LYS 36 Ca -0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 1cur h LYS 36 Cb 0.57 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 1cur h LYS 36 CO 0.01 0.52 2.69 2.41 -0.57 0.00 0.00 179.45 184.50 1cur n THR 37 N -3.36 3.41 -2.66 -0.16 -1.04 -1.26 -0.18 114.28 109.02 1cur n THR 37 Ca 0.01 -3.20 -0.43 0.00 -2.04 0.00 0.00 64.05 58.39 1cur n THR 37 Cb 0.67 -2.48 -0.01 0.00 -1.82 0.00 0.00 70.33 66.69 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 4.02 4.27 -1.06 12.58 1.01 -0.41 -4.74 120.40 136.07 1cur s VAL 38 Ca 0.51 -1.72 -0.17 0.00 0.00 0.00 0.00 61.98 60.60 1cur s VAL 38 Cb 0.10 -5.08 0.13 0.00 0.00 0.00 0.00 36.38 31.53 1cur s VAL 38 CO -0.01 -1.90 1.30 -2.28 0.00 0.00 0.00 175.10 172.21 1cur s HIS 39 N 3.85 3.18 -0.43 5.22 2.46 -1.26 -0.65 115.29 127.65 1cur s HIS 39 Ca 0.48 -1.61 -0.28 0.00 0.47 0.00 0.00 55.06 54.12 1cur s HIS 39 Cb 0.01 -4.36 0.03 0.00 -0.13 0.00 0.00 32.58 28.13 1cur s HIS 39 CO 0.01 -1.52 1.08 0.08 -2.47 0.00 0.00 174.74 171.92 1cur s VAL 40 N 2.60 4.33 -0.59 0.89 1.01 -0.77 -3.52 120.40 124.36 1cur s VAL 40 Ca 0.39 1.26 -0.14 0.00 0.00 0.00 0.00 61.98 63.49 1cur s VAL 40 Cb -0.03 -4.52 0.15 0.00 0.00 0.00 0.00 36.38 31.97 1cur s VAL 40 CO -0.05 -0.84 0.52 -0.69 0.00 0.00 0.00 175.10 174.04 1cur s VAL 41 N 4.13 5.06 -0.55 2.92 1.01 -1.26 -0.10 120.40 131.61 1cur s VAL 41 Ca 0.45 -1.79 -0.18 0.00 0.00 0.00 0.00 61.98 60.46 1cur s VAL 41 Cb -0.09 -4.23 0.10 0.00 0.00 0.00 0.00 36.38 32.15 1cur s VAL 41 CO 0.27 -0.88 0.62 0.00 0.00 0.00 0.00 175.10 175.11 1cur s ALA 42 N 1.22 3.46 -0.59 5.51 0.00 0.40 -4.23 121.76 127.54 1cur s ALA 42 Ca 0.07 -2.18 -0.21 0.00 0.00 0.00 0.00 51.96 49.64 1cur s ALA 42 Cb -0.25 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.54 1cur s ALA 42 CO -0.00 -2.17 0.82 0.00 0.00 0.00 0.00 175.76 174.41 1cur s ALA 43 N 2.38 3.25 -0.41 0.00 0.00 0.76 -0.55 121.76 127.20 1cur s ALA 43 Ca 0.10 -1.82 -0.20 0.00 0.00 0.00 0.00 51.96 50.04 1cur s ALA 43 Cb -0.24 -3.65 0.02 0.00 0.00 0.00 0.00 23.12 19.25 1cur s ALA 43 CO 0.07 -2.44 0.63 0.00 0.00 0.00 0.00 175.76 174.02 1cur s ALA 44 N 3.39 3.39 -0.62 0.00 0.00 0.19 -0.22 121.76 127.90 1cur s ALA 44 Ca 0.19 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 1cur s ALA 44 Cb -0.18 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.72 1cur s ALA 44 CO 0.11 -1.61 0.57 0.28 0.00 0.00 0.00 175.76 175.11 1cur n VAL 45 N 5.74 -3.15 -2.11 0.00 0.31 -1.05 -4.08 118.33 113.99 1cur n VAL 45 Ca -0.02 0.02 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1cur n VAL 45 Cb 0.48 -2.83 -0.00 0.00 -0.91 0.00 0.00 33.84 30.57 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 -3.74 3.49 0.33 7.52 1.02 -1.26 -4.00 118.68 122.04 1cur s LEU 46 Ca 0.14 1.68 0.07 0.00 0.02 0.00 0.00 54.13 56.04 1cur s LEU 46 Cb -0.01 -4.52 0.92 0.00 0.02 0.00 0.00 46.19 42.60 1cur s LEU 46 CO 0.81 -0.96 1.57 -0.65 0.02 0.00 0.00 176.35 177.14 1cur h PRO 47 N 0.44 0.00 0.00 1.29 0.11 -1.92 0.15 132.00 132.07 1cur h PRO 47 Ca -0.46 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1cur h PRO 47 Cb 1.20 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1cur h PRO 47 CO 0.59 0.00 -0.00 0.78 -0.21 0.00 0.00 178.00 179.16 1cur h GLY 48 N 0.00 0.00 -7.47 -0.55 0.00 -2.00 -3.37 103.07 89.68 1cur h GLY 48 Ca 0.67 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 47.30 1cur h GLY 48 CO -0.89 0.00 -0.44 -1.36 0.00 0.00 0.00 176.54 173.85 1cur s PHE 49 N -4.23 3.51 -1.15 5.60 0.08 0.52 -5.02 117.98 117.28 1cur s PHE 49 Ca -0.05 -2.35 -0.20 0.00 0.12 0.00 0.00 56.93 54.45 1cur s PHE 49 Cb 0.13 -3.31 -0.05 0.00 -0.57 0.00 0.00 43.02 39.23 1cur s PHE 49 CO 0.44 -0.95 1.93 -0.35 -0.10 0.00 0.00 175.22 176.19 1cur n PRO 50 N 4.36 2.15 -0.72 0.24 -0.04 -1.26 -4.44 135.00 135.29 1cur n PRO 50 Ca -0.00 -2.53 0.09 0.00 -0.04 0.00 0.00 63.50 61.01 1cur n PRO 50 Cb 0.40 -3.41 -0.04 0.00 -0.04 0.00 0.00 33.50 30.41 1cur n PRO 50 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1cur n PHE 51 N 10.03 -1.90 0.14 0.54 3.01 -1.26 -5.05 117.46 122.96 1cur n PHE 51 Ca 0.48 1.02 0.01 0.00 1.01 0.00 0.00 57.45 59.98 1cur n PHE 51 Cb 0.44 -1.73 -0.01 0.00 -0.01 0.00 0.00 39.48 38.16 1cur n PHE 51 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1cur n PRO 52 N -3.31 5.45 -3.02 -1.08 -0.04 -1.26 -5.09 135.00 126.64 1cur n PRO 52 Ca -0.03 -0.06 -0.27 0.00 -0.04 0.00 0.00 63.50 63.09 1cur n PRO 52 Cb 0.34 -0.68 -0.02 0.00 -0.04 0.00 0.00 33.50 33.11 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 -1.18 6.36 -0.16 3.54 1.04 -1.26 -4.64 113.70 117.40 1cur s SER 53 Ca 0.01 0.79 -0.29 0.00 0.48 0.00 0.00 55.95 56.95 1cur s SER 53 Cb 0.02 -2.18 -0.01 0.00 0.10 0.00 0.00 66.02 63.95 1cur s SER 53 CO 0.11 -0.39 1.13 -0.36 0.98 0.00 0.00 173.24 174.72 1cur s PHE 54 N -2.41 3.18 -0.13 5.02 0.08 -1.23 -2.53 117.98 119.96 1cur s PHE 54 Ca 0.45 1.30 -0.04 0.00 0.12 0.00 0.00 56.93 58.76 1cur s PHE 54 Cb -0.10 -3.36 -0.03 0.00 -0.57 0.00 0.00 43.02 38.96 1cur s PHE 54 CO 0.37 -0.97 0.01 -1.21 -0.10 0.00 0.00 175.22 173.31 1cur s GLU 55 N 2.97 3.41 -0.48 0.44 2.02 0.70 -0.30 118.70 127.46 1cur s GLU 55 Ca 0.50 -0.42 0.03 0.00 0.02 0.00 0.00 54.97 55.11 1cur s GLU 55 Cb -0.19 -2.93 0.16 0.00 0.10 0.00 0.00 34.13 31.27 1cur s GLU 55 CO 0.13 0.48 0.34 0.08 0.02 0.00 0.00 175.26 176.31 1cur s VAL 56 N -0.26 1.17 0.00 2.63 1.01 0.62 -0.17 120.40 125.40 1cur s VAL 56 Ca 0.06 -2.91 0.00 0.00 0.00 0.00 0.00 61.98 59.13 1cur s VAL 56 Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1cur s VAL 56 CO 0.02 -1.08 0.00 0.00 0.00 0.00 0.00 175.10 174.04 1cur n HIS 57 N 2.93 0.00 0.00 5.22 1.44 -1.26 -0.92 115.22 122.63 1cur n HIS 57 Ca 0.21 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.95 1cur n HIS 57 Cb 0.41 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.40 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 0.39 -2.17 4.39 2.03 -1.26 -5.01 116.55 114.92 1cur n ASP 58 Ca 0.00 0.16 -0.08 0.00 0.52 0.00 0.00 54.79 55.40 1cur n ASP 58 Cb 0.00 1.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.37 1cur n ASP 58 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1cur n LYS 59 N -2.62 0.77 -3.86 -0.67 4.76 -0.10 -5.16 118.16 111.29 1cur n LYS 59 Ca -0.11 -1.06 -0.14 0.00 -2.87 0.00 0.00 58.31 54.13 1cur n LYS 59 Cb 0.77 0.60 -0.15 0.00 -1.84 0.00 0.00 35.03 34.41 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 -2.47 0.06 -1.60 1.97 1.02 -1.26 -0.28 119.74 117.17 1cur s LYS 60 Ca 0.07 0.07 -0.14 0.00 0.02 0.00 0.00 55.97 55.98 1cur s LYS 60 Cb 0.00 -0.19 0.11 0.00 -0.52 0.00 0.00 37.83 37.23 1cur s LYS 60 CO 0.05 -0.08 0.82 0.09 -0.92 0.00 0.00 175.35 175.31 1cur n ASN 61 N 3.65 -3.50 -4.78 2.83 5.03 0.59 -4.91 115.26 114.17 1cur n ASN 61 Ca -0.20 -0.92 -0.30 0.00 0.87 0.00 0.00 54.58 54.02 1cur n ASN 61 Cb 0.55 -3.24 0.09 0.00 -1.02 0.00 0.00 39.78 36.16 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 -6.75 2.11 -0.05 3.52 0.04 -1.26 -4.63 135.00 127.97 1cur s PRO 62 Ca 0.62 0.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 1cur s PRO 62 Cb -0.33 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1cur s PRO 62 CO 0.89 -1.66 1.06 0.99 0.04 0.00 0.00 177.00 178.32 1cur s THR 63 N -3.03 4.61 -0.20 1.26 2.01 -1.25 -4.04 115.64 115.01 1cur s THR 63 Ca 0.61 1.89 -0.13 0.00 0.31 0.00 0.00 61.69 64.37 1cur s THR 63 Cb -0.16 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 1cur s THR 63 CO 0.55 0.06 0.26 -0.76 -0.69 0.00 0.00 174.62 174.04 1cur s LEU 64 N 1.67 4.18 -0.24 4.42 1.02 0.27 -0.47 118.68 129.53 1cur s LEU 64 Ca 0.52 0.35 -0.06 0.00 0.02 0.00 0.00 54.13 54.96 1cur s LEU 64 Cb -0.22 -2.29 -0.02 0.00 0.02 0.00 0.00 46.19 43.68 1cur s LEU 64 CO 0.23 0.06 0.03 -1.61 0.02 0.00 0.00 176.35 175.08 1cur s GLU 65 N 0.84 3.59 -0.05 1.70 2.02 0.14 -0.32 118.70 126.61 1cur s GLU 65 Ca 0.13 -0.52 0.05 0.00 0.02 0.00 0.00 54.97 54.66 1cur s GLU 65 Cb -0.13 -3.22 -0.01 0.00 0.10 0.00 0.00 34.13 30.87 1cur s GLU 65 CO 0.04 -0.16 -0.21 0.42 0.02 0.00 0.00 175.26 175.37 1cur s ILE 66 N 1.49 1.72 -0.20 -1.63 1.01 0.36 -0.78 121.20 123.17 1cur s ILE 66 Ca 0.06 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 1cur s ILE 66 Cb -0.15 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1cur s ILE 66 CO 0.02 0.48 1.88 -2.84 0.00 0.00 0.00 174.94 174.48 1cur s PRO 67 N 0.01 3.58 0.13 2.79 0.02 -1.26 -1.59 135.00 138.69 1cur s PRO 67 Ca -0.06 1.88 -0.35 0.00 0.02 0.00 0.00 61.00 62.50 1cur s PRO 67 Cb -0.13 -4.18 -0.16 0.00 0.02 0.00 0.00 34.50 30.05 1cur s PRO 67 CO 0.03 -1.57 1.29 0.00 -0.33 0.00 0.00 177.00 176.42 1cur n ALA 68 N 9.56 -0.61 -0.32 -1.55 0.00 0.32 -0.83 120.51 127.08 1cur n ALA 68 Ca 0.23 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.15 1cur n ALA 68 Cb 0.45 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 2.37 1.15 3.74 0.00 0.00 -1.26 -4.97 105.19 106.22 1cur n GLY 69 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.87 1.74 -0.51 4.61 0.00 -0.01 -4.99 121.76 119.72 1cur s ALA 70 Ca 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.72 1cur s ALA 70 Cb 0.00 -3.18 0.09 0.00 0.00 0.00 0.00 23.12 20.03 1cur s ALA 70 CO 0.00 -2.18 0.51 0.99 0.00 0.00 0.00 175.76 175.07 1cur s THR 71 N -2.98 5.11 -0.42 0.00 2.01 0.75 -4.35 115.64 115.77 1cur s THR 71 Ca 0.63 -1.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.30 1cur s THR 71 Cb -0.17 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.10 1cur s THR 71 CO 0.56 -0.77 0.99 -0.69 -0.69 0.00 0.00 174.62 174.02 1cur s VAL 72 N 1.96 4.45 -0.50 3.82 1.01 0.78 -1.29 120.40 130.63 1cur s VAL 72 Ca 0.07 1.11 -0.13 0.00 0.00 0.00 0.00 61.98 63.03 1cur s VAL 72 Cb -0.25 -4.44 0.12 0.00 0.00 0.00 0.00 36.38 31.81 1cur s VAL 72 CO 0.07 -0.74 0.41 -1.81 0.00 0.00 0.00 175.10 173.03 1cur s ASP 73 N 2.12 5.95 -0.92 3.32 1.11 0.17 -0.30 116.67 128.12 1cur s ASP 73 Ca 0.41 -1.79 -0.24 0.00 0.18 0.00 0.00 52.55 51.10 1cur s ASP 73 Cb -0.10 -2.11 0.04 0.00 1.07 0.00 0.00 42.92 41.82 1cur s ASP 73 CO 0.24 -0.75 1.43 -0.69 1.18 0.00 0.00 175.17 176.58 1cur s VAL 74 N 1.49 3.82 -0.64 -1.27 1.01 -0.27 -1.84 120.40 122.70 1cur s VAL 74 Ca 0.04 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 1cur s VAL 74 Cb -0.28 -4.94 0.09 0.00 0.00 0.00 0.00 36.38 31.25 1cur s VAL 74 CO 0.02 -1.84 0.86 -0.89 0.00 0.00 0.00 175.10 173.24 1cur s THR 75 N 5.57 4.54 0.62 3.92 2.01 0.86 -3.28 115.64 129.88 1cur s THR 75 Ca 0.44 -0.66 -0.11 0.00 0.31 0.00 0.00 61.69 61.67 1cur s THR 75 Cb -0.03 -4.61 -0.04 0.00 0.01 0.00 0.00 72.50 67.83 1cur s THR 75 CO -0.01 -1.32 1.03 -0.36 -0.69 0.00 0.00 174.62 173.27 1cur s PHE 76 N 3.44 3.58 -0.40 4.92 0.08 -0.05 -0.45 117.98 129.10 1cur s PHE 76 Ca 0.18 1.31 0.03 0.00 0.12 0.00 0.00 56.93 58.57 1cur s PHE 76 Cb -0.20 -2.74 0.16 0.00 -0.57 0.00 0.00 43.02 39.68 1cur s PHE 76 CO 0.08 -0.70 0.35 0.42 -0.10 0.00 0.00 175.22 175.26 1cur s ILE 77 N -3.13 0.13 -0.29 0.64 1.09 0.29 -3.08 121.20 116.85 1cur s ILE 77 Ca 0.56 -2.20 -0.07 0.00 -1.10 0.00 0.00 60.65 57.84 1cur s ILE 77 Cb -0.11 -1.07 0.01 0.00 -1.06 0.00 0.00 42.46 40.22 1cur s ILE 77 CO 0.52 -1.04 0.08 0.21 -0.10 0.00 0.00 174.94 174.61 1cur s ASN 78 N 0.43 5.11 -0.25 3.58 2.47 -0.12 -0.64 114.94 125.53 1cur s ASN 78 Ca 0.29 -0.68 0.23 0.00 0.42 0.00 0.00 52.86 53.12 1cur s ASN 78 Cb -0.03 -1.88 0.50 0.00 -1.45 0.00 0.00 41.25 38.39 1cur s ASN 78 CO -0.13 -0.18 1.12 0.41 -3.72 0.00 0.00 177.10 174.60 1cur n THR 79 N 4.87 1.19 -1.77 -5.21 -1.04 -1.26 -3.66 114.28 107.40 1cur n THR 79 Ca -0.15 -2.79 -0.42 0.00 -2.04 0.00 0.00 64.05 58.65 1cur n THR 79 Cb 0.48 1.29 -0.00 0.00 -1.82 0.00 0.00 70.33 70.28 1cur n THR 79 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1cur n ASN 80 N -0.57 3.90 0.00 8.00 4.05 -1.26 -4.64 115.26 124.75 1cur n ASN 80 Ca 0.06 -2.84 0.00 0.00 0.45 0.00 0.00 54.58 52.25 1cur n ASN 80 Cb 0.82 -1.65 0.00 0.00 1.23 0.00 0.00 39.78 40.17 1cur n ASN 80 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1cur n LYS 81 N 6.26 0.00 0.00 1.20 5.02 -1.25 -0.37 118.16 129.02 1cur n LYS 81 Ca 0.52 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1cur n LYS 81 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 1cur n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cur n GLY 82 N 0.00 2.77 3.55 0.72 0.00 -1.25 -4.99 105.19 106.00 1cur n GLY 82 Ca 0.00 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.34 2.40 -0.25 1.61 0.08 0.50 -4.90 117.98 116.08 1cur s PHE 83 Ca 0.00 -0.43 -0.03 0.00 0.12 0.00 0.00 56.93 56.59 1cur s PHE 83 Cb 0.00 -4.66 -0.08 0.00 -0.57 0.00 0.00 43.02 37.71 1cur s PHE 83 CO 0.00 -2.01 1.74 0.41 -0.10 0.00 0.00 175.22 175.26 1cur n GLY 84 N 6.12 2.14 3.58 4.36 0.00 -1.26 -4.54 105.19 115.59 1cur n GLY 84 Ca 0.18 -0.52 -0.53 0.00 0.00 0.00 0.00 46.02 45.15 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 3.47 1.44 -3.74 1.61 8.25 -1.26 -2.96 115.22 122.02 1cur n HIS 85 Ca 0.22 0.68 -0.38 0.00 -0.26 0.00 0.00 57.72 57.99 1cur n HIS 85 Cb 0.25 -2.31 -0.12 0.00 1.12 0.00 0.00 29.99 28.93 1cur n HIS 85 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1cur s SER 86 N 0.53 5.27 -0.88 0.41 1.04 -1.26 -3.89 113.70 114.93 1cur s SER 86 Ca 0.86 -0.89 -0.25 0.00 0.48 0.00 0.00 55.95 56.15 1cur s SER 86 Cb -0.99 -1.89 0.04 0.00 0.10 0.00 0.00 66.02 63.27 1cur s SER 86 CO 0.49 -0.26 1.40 0.12 0.98 0.00 0.00 173.24 175.97 1cur s PHE 87 N 1.47 2.37 -0.19 5.02 2.19 -1.26 -4.02 117.98 123.57 1cur s PHE 87 Ca 0.01 -0.39 -0.09 0.00 0.33 0.00 0.00 56.93 56.79 1cur s PHE 87 Cb -0.18 -4.63 -0.05 0.00 -1.31 0.00 0.00 43.02 36.85 1cur s PHE 87 CO 0.03 -2.01 0.11 -0.51 1.83 0.00 0.00 175.22 174.67 1cur s ASP 88 N 4.63 6.02 -0.15 6.13 1.01 0.28 -0.62 116.67 133.97 1cur s ASP 88 Ca 0.43 0.20 -0.03 0.00 0.71 0.00 0.00 52.55 53.85 1cur s ASP 88 Cb -0.04 -2.04 -0.03 0.00 1.01 0.00 0.00 42.92 41.82 1cur s ASP 88 CO 0.02 0.20 -0.05 -0.63 0.21 0.00 0.00 175.17 174.92 1cur s ILE 89 N 0.24 3.78 0.00 0.77 1.01 0.54 -0.47 121.20 127.06 1cur s ILE 89 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1cur s ILE 89 Cb -0.11 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.71 1cur s ILE 89 CO -0.01 0.50 0.00 1.07 0.00 0.00 0.00 174.94 176.50 1cur n THR 90 N 3.46 0.00 -2.18 2.92 5.66 -0.10 -0.75 114.28 123.29 1cur n THR 90 Ca -0.17 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.59 1cur n THR 90 Cb 0.53 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.32 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 3.43 -2.36 1.09 5.02 -1.26 -0.15 118.16 123.94 1cur n LYS 91 Ca 0.00 -4.20 -0.38 0.00 -2.02 0.00 0.00 58.31 51.71 1cur n LYS 91 Cb 0.00 -2.22 -0.03 0.00 -0.02 0.00 0.00 35.03 32.76 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 -3.59 3.09 0.67 1.97 -0.14 -1.26 -4.88 119.74 115.60 1cur s LYS 92 Ca 0.49 -0.38 -0.13 0.00 -1.36 0.00 0.00 55.97 54.59 1cur s LYS 92 Cb 0.40 -4.77 0.00 0.00 -1.68 0.00 0.00 37.83 31.78 1cur s LYS 92 CO -0.02 -2.52 1.08 0.20 -0.76 0.00 0.00 175.35 173.33 1cur s GLY 93 N 5.79 1.92 0.83 -3.33 0.00 -1.26 -4.73 107.32 106.55 1cur s GLY 93 Ca 0.51 0.32 -0.10 0.00 0.00 0.00 0.00 44.72 45.45 1cur s GLY 93 CO 0.05 0.65 1.11 2.56 0.00 0.00 0.00 173.10 177.47 1cur s PRO 94 N -4.50 1.72 0.31 2.90 0.04 -1.26 -4.45 135.00 129.76 1cur s PRO 94 Ca 0.62 1.30 -0.27 0.00 0.04 0.00 0.00 61.00 62.69 1cur s PRO 94 Cb -0.17 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 1cur s PRO 94 CO 0.46 -2.07 0.99 -1.25 0.04 0.00 0.00 177.00 175.18 1cur s PRO 95 N -4.80 4.59 0.47 0.56 0.04 -1.26 -5.15 135.00 129.44 1cur s PRO 95 Ca 0.63 1.48 -0.19 0.00 0.04 0.00 0.00 61.00 62.97 1cur s PRO 95 Cb -0.19 -2.94 -0.10 0.00 0.04 0.00 0.00 34.50 31.31 1cur s PRO 95 CO 0.57 0.26 0.97 0.71 0.04 0.00 0.00 177.00 179.54 1cur s TYR 96 N -1.43 3.36 0.04 0.56 2.02 -1.26 -5.07 117.35 115.57 1cur s TYR 96 Ca 0.48 1.55 -0.00 0.00 -0.37 0.00 0.00 57.07 58.73 1cur s TYR 96 Cb -0.23 -2.83 -0.04 0.00 -0.40 0.00 0.00 41.96 38.45 1cur s TYR 96 CO 0.29 -0.24 0.16 0.00 -1.57 0.00 0.00 175.55 174.20 1cur s ALA 97 N -2.36 3.87 0.41 3.71 0.00 -1.26 -4.61 121.76 121.51 1cur s ALA 97 Ca 0.61 -0.86 0.11 0.00 0.00 0.00 0.00 51.96 51.81 1cur s ALA 97 Cb -0.10 -1.74 0.86 0.00 0.00 0.00 0.00 23.12 22.15 1cur s ALA 97 CO 0.21 0.78 1.96 0.28 0.00 0.00 0.00 175.76 178.99 1cur h VAL 98 N 2.46 1.15 -3.05 0.00 2.07 -1.98 -3.36 116.25 113.54 1cur h VAL 98 Ca -0.47 -0.64 -0.57 0.00 0.82 0.00 0.00 66.70 65.84 1cur h VAL 98 Cb 1.17 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1cur h VAL 98 CO 0.71 0.20 0.85 -0.04 0.02 0.00 0.00 177.57 179.31 1cur s MET 99 N -4.81 4.21 -1.33 1.57 -1.94 -1.26 -0.51 119.30 115.23 1cur s MET 99 Ca -0.05 1.42 -0.17 0.00 -1.71 0.00 0.00 55.69 55.17 1cur s MET 99 Cb 0.16 -3.71 0.05 0.00 2.01 0.00 0.00 34.83 33.34 1cur s MET 99 CO 0.72 -0.72 1.87 -0.35 -0.01 0.00 0.00 175.02 176.54 1cur n PRO 100 N 6.54 3.02 -2.40 2.03 -0.04 -1.26 -4.91 135.00 137.98 1cur n PRO 100 Ca 0.13 -3.06 -0.43 0.00 -0.04 0.00 0.00 63.50 60.11 1cur n PRO 100 Cb 0.46 -3.45 -0.02 0.00 -0.04 0.00 0.00 33.50 30.45 1cur n PRO 100 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cur s VAL 101 N 4.26 3.91 -1.33 0.52 1.01 -1.26 -4.88 120.40 122.63 1cur s VAL 101 Ca 0.53 0.89 -0.17 0.00 0.00 0.00 0.00 61.98 63.23 1cur s VAL 101 Cb 0.06 -4.33 0.04 0.00 0.00 0.00 0.00 36.38 32.15 1cur s VAL 101 CO 0.04 -0.92 1.95 2.30 0.00 0.00 0.00 175.10 178.47 1cur n ILE 102 N 6.99 3.55 -1.68 2.22 -5.35 -1.26 -4.95 119.36 118.88 1cur n ILE 102 Ca 0.15 -3.46 -0.34 0.00 -0.27 0.00 0.00 62.75 58.83 1cur n ILE 102 Cb 0.49 -2.44 0.06 0.00 -1.74 0.00 0.00 39.64 36.01 1cur n ILE 102 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1cur s ASP 103 N 3.99 4.82 -0.54 7.28 1.11 -1.26 -4.75 116.67 127.32 1cur s ASP 103 Ca 0.52 2.15 -0.43 0.00 0.18 0.00 0.00 52.55 54.97 1cur s ASP 103 Cb 0.08 -2.57 -0.19 0.00 1.07 0.00 0.00 42.92 41.31 1cur s ASP 103 CO 0.02 -1.83 2.19 -2.65 1.18 0.00 0.00 175.17 174.08 1cur n PRO 104 N -2.44 0.04 -2.60 8.23 -0.02 -1.26 -4.88 135.00 132.07 1cur n PRO 104 Ca 0.12 0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.18 1cur n PRO 104 Cb 0.51 -1.54 -0.02 0.00 -0.02 0.00 0.00 33.50 32.43 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 6.31 4.58 0.00 4.25 -1.09 -1.26 -4.68 121.20 129.31 1cur s ILE 105 Ca 1.21 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 61.52 1cur s ILE 105 Cb -1.45 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 35.21 1cur s ILE 105 CO 0.64 -0.11 0.00 0.52 -1.23 0.00 0.00 174.94 174.76 1cur n VAL 106 N 5.07 0.00 -2.90 2.92 0.31 0.07 -4.97 118.33 118.84 1cur n VAL 106 Ca 0.11 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.23 1cur n VAL 106 Cb 0.46 -0.19 0.02 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 -4.15 3.96 0.00 3.52 0.00 -1.19 -4.98 121.76 118.92 1cur s ALA 107 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1cur s ALA 107 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1cur s ALA 107 CO 0.00 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1cur n GLY 108 N -2.11 2.37 0.10 0.00 0.00 -1.26 -0.34 105.19 103.94 1cur n GLY 108 Ca 0.05 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 1cur n GLY 108 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cur h THR 109 N 0.70 1.60 0.00 2.61 1.35 -1.21 -3.29 112.91 114.66 1cur h THR 109 Ca 0.00 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 1cur h THR 109 Cb 0.00 3.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 1cur h THR 109 CO 0.00 0.67 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 1cur n GLY 110 N 1.59 -2.40 3.72 5.82 0.00 -1.26 -0.49 105.19 112.18 1cur n GLY 110 Ca -0.12 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1cur n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 111 N -0.31 3.67 0.30 1.61 0.40 0.35 -4.07 117.98 119.93 1cur s PHE 111 Ca 0.00 1.53 -0.07 0.00 -0.60 0.00 0.00 56.93 57.79 1cur s PHE 111 Cb 0.00 -2.95 -0.06 0.00 0.51 0.00 0.00 43.02 40.52 1cur s PHE 111 CO 0.00 0.11 0.60 -1.54 0.70 0.00 0.00 175.22 175.09 1cur s SER 112 N 0.57 6.51 0.34 1.36 1.04 -1.15 -4.83 113.70 117.53 1cur s SER 112 Ca 0.44 0.87 -0.26 0.00 0.48 0.00 0.00 55.95 57.47 1cur s SER 112 Cb -0.20 -2.21 -0.09 0.00 0.10 0.00 0.00 66.02 63.62 1cur s SER 112 CO 0.24 -0.21 1.06 -2.16 0.98 0.00 0.00 173.24 173.15 1cur s PRO 113 N -3.42 4.40 -0.32 4.02 0.04 -1.26 -4.25 135.00 134.20 1cur s PRO 113 Ca 0.47 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 1cur s PRO 113 Cb -0.11 -2.83 0.12 0.00 0.04 0.00 0.00 34.50 31.72 1cur s PRO 113 CO 0.28 0.04 0.19 0.14 0.04 0.00 0.00 177.00 177.69 1cur s VAL 114 N -1.44 -0.04 1.13 -0.36 -7.23 -1.26 -4.53 120.40 106.66 1cur s VAL 114 Ca 0.52 -1.11 -0.15 0.00 -1.81 0.00 0.00 61.98 59.42 1cur s VAL 114 Cb -0.26 -1.01 0.19 0.00 0.56 0.00 0.00 36.38 35.86 1cur s VAL 114 CO 0.33 -0.80 0.53 -2.65 -0.31 0.00 0.00 175.10 172.20 1cur n PRO 115 N 4.73 -1.91 0.00 4.82 -0.02 -1.26 -3.77 135.00 137.58 1cur n PRO 115 Ca 0.02 -0.53 0.03 0.00 -2.02 0.00 0.00 63.50 61.00 1cur n PRO 115 Cb 0.41 -1.95 -0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1cur n PRO 115 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1cur n LYS 116 N -3.46 2.54 0.00 -0.52 5.02 -1.26 -3.94 118.16 116.53 1cur n LYS 116 Ca 0.02 -0.45 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1cur n LYS 116 Cb 0.58 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 1cur n LYS 116 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1cur n ASP 117 N -0.41 0.00 0.00 4.39 4.64 -1.26 -4.99 116.55 118.92 1cur n ASP 117 Ca 0.03 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.44 1cur n ASP 117 Cb 0.14 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.22 1cur n ASP 117 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1cur n GLY 118 N -0.10 0.63 3.84 0.27 0.00 -1.26 -4.84 105.19 103.74 1cur n GLY 118 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 3.73 -0.21 1.61 -0.14 -1.26 -2.63 119.74 120.84 1cur s LYS 119 Ca 0.00 0.95 -0.03 0.00 -1.36 0.00 0.00 55.97 55.53 1cur s LYS 119 Cb 0.00 -2.10 0.07 0.00 -1.68 0.00 0.00 37.83 34.12 1cur s LYS 119 CO 0.00 -0.45 0.06 -0.06 -0.76 0.00 0.00 175.35 174.14 1cur s PHE 120 N -2.73 0.88 -0.22 3.18 0.08 0.73 -4.70 117.98 115.20 1cur s PHE 120 Ca 0.59 -0.86 -0.28 0.00 0.12 0.00 0.00 56.93 56.50 1cur s PHE 120 Cb -0.11 -1.03 -0.05 0.00 -0.57 0.00 0.00 43.02 41.26 1cur s PHE 120 CO 0.38 -0.65 2.13 0.20 -0.10 0.00 0.00 175.22 177.18 1cur s GLY 121 N 1.91 0.63 0.42 4.36 0.00 -1.24 -0.47 107.32 112.93 1cur s GLY 121 Ca 0.02 0.73 0.07 0.00 0.00 0.00 0.00 44.72 45.54 1cur s GLY 121 CO -0.13 3.69 0.11 -2.52 0.00 0.00 0.00 173.10 174.24 1cur s TYR 122 N 7.77 2.52 -0.12 1.90 -0.85 0.37 -0.94 117.35 128.00 1cur s TYR 122 Ca 0.96 -0.64 -0.27 0.00 -0.52 0.00 0.00 57.07 56.59 1cur s TYR 122 Cb -0.32 -1.87 0.07 0.00 0.38 0.00 0.00 41.96 40.21 1cur s TYR 122 CO 0.35 0.28 0.66 0.99 -1.52 0.00 0.00 175.55 176.31 1cur s THR 123 N -2.66 0.00 -0.32 -3.49 2.01 -1.18 -1.38 115.64 108.63 1cur s THR 123 Ca 0.37 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1cur s THR 123 Cb 0.06 -0.96 0.14 0.00 0.01 0.00 0.00 72.50 71.75 1cur s THR 123 CO 0.20 -0.02 0.30 -1.81 -0.69 0.00 0.00 174.62 172.60 1cur s ASP 124 N -0.65 1.79 0.04 3.53 1.11 -0.91 -0.88 116.67 120.70 1cur s ASP 124 Ca -0.07 -1.17 0.01 0.00 0.18 0.00 0.00 52.55 51.49 1cur s ASP 124 Cb -0.02 0.37 -0.04 0.00 1.07 0.00 0.00 42.92 44.30 1cur s ASP 124 CO 0.06 -0.35 0.11 0.72 1.18 0.00 0.00 175.17 176.89 1cur s PHE 125 N 1.95 3.30 -0.14 4.23 -0.12 -1.20 -4.75 117.98 121.24 1cur s PHE 125 Ca 0.12 0.17 -0.06 0.00 -0.05 0.00 0.00 56.93 57.12 1cur s PHE 125 Cb -0.15 -1.70 -0.04 0.00 -0.63 0.00 0.00 43.02 40.50 1cur s PHE 125 CO -0.22 0.55 0.05 0.99 -0.05 0.00 0.00 175.22 176.55 1cur s THR 126 N -1.33 4.75 -0.00 -4.49 2.01 -1.26 -1.11 115.64 114.21 1cur s THR 126 Ca 0.27 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.23 1cur s THR 126 Cb -0.12 -3.09 -0.00 0.00 0.01 0.00 0.00 72.50 69.29 1cur s THR 126 CO 0.20 0.53 -0.05 0.86 -0.69 0.00 0.00 174.62 175.47 1cur s TRP 127 N -0.20 0.42 -0.66 4.92 -0.00 0.59 -4.99 118.94 119.01 1cur s TRP 127 Ca 0.07 -0.10 -0.04 0.00 -0.00 0.00 0.00 56.10 56.03 1cur s TRP 127 Cb -0.12 -0.27 0.17 0.00 -0.00 0.00 0.00 33.47 33.25 1cur s TRP 127 CO 0.01 -0.01 0.50 -1.01 -0.00 0.00 0.00 176.95 176.44 1cur s HIS 128 N -0.19 3.46 0.45 5.86 3.76 -1.26 -0.15 115.29 127.21 1cur s HIS 128 Ca 0.01 -2.62 -0.22 0.00 -0.15 0.00 0.00 55.06 52.07 1cur s HIS 128 Cb -0.02 -3.29 -0.08 0.00 1.11 0.00 0.00 32.58 30.30 1cur s HIS 128 CO -0.00 -0.86 1.08 -1.25 -0.85 0.00 0.00 174.74 172.87 1cur s PRO 129 N -0.07 3.88 0.68 8.40 0.04 -1.26 -5.00 135.00 141.67 1cur s PRO 129 Ca 0.17 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 1cur s PRO 129 Cb -0.19 -2.33 -0.00 0.00 0.04 0.00 0.00 34.50 32.02 1cur s PRO 129 CO -0.04 -0.40 1.08 0.95 0.04 0.00 0.00 177.00 178.63 1cur s THR 130 N -1.72 3.87 1.21 1.26 -4.23 -1.26 -4.12 115.64 110.65 1cur s THR 130 Ca 0.63 0.61 -0.15 0.00 -1.18 0.00 0.00 61.69 61.60 1cur s THR 130 Cb -0.22 -3.58 0.29 0.00 1.34 0.00 0.00 72.50 70.33 1cur s THR 130 CO 0.27 -0.79 1.02 0.00 -0.54 0.00 0.00 174.62 174.58 1cur s ALA 131 N -3.29 -0.39 0.00 3.99 0.00 -1.26 -4.74 121.76 116.07 1cur s ALA 131 Ca 0.57 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1cur s ALA 131 Cb -0.11 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1cur s ALA 131 CO 0.53 -3.91 0.00 0.41 0.00 0.00 0.00 175.76 172.79 1cur n GLY 132 N 0.59 0.93 3.35 0.00 0.00 0.97 -4.88 105.19 106.15 1cur n GLY 132 Ca 0.05 -1.32 -0.14 0.00 0.00 0.00 0.00 46.02 44.61 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 0.29 2.61 2.01 -1.26 -0.67 115.64 118.64 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 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1cur s THR 133 CO 0.00 -0.08 0.15 -1.22 -0.69 0.00 0.00 174.62 172.78 1cur n TYR 134 N 2.09 -0.17 -3.82 4.92 4.02 0.36 -4.94 117.16 119.61 1cur n TYR 134 Ca -0.17 -2.05 -0.12 0.00 -0.01 0.00 0.00 57.90 55.55 1cur n TYR 134 Cb 0.57 0.08 -0.12 0.00 -0.02 0.00 0.00 39.34 39.85 1cur n TYR 134 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1cur s TYR 135 N -2.84 -0.15 -0.05 -0.72 1.51 0.79 -0.37 117.35 115.53 1cur s TYR 135 Ca 0.21 0.35 -0.04 0.00 -1.01 0.00 0.00 57.07 56.59 1cur s TYR 135 Cb 0.01 0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.87 1cur s TYR 135 CO 0.15 -0.12 0.14 1.52 -1.11 0.00 0.00 175.55 176.13 1cur s TYR 136 N -0.15 3.49 0.01 2.71 1.13 0.25 -0.92 117.35 123.87 1cur s TYR 136 Ca -0.02 0.37 -0.16 0.00 -1.41 0.00 0.00 57.07 55.85 1cur s TYR 136 Cb -0.02 -1.85 0.03 0.00 -1.10 0.00 0.00 41.96 39.02 1cur s TYR 136 CO 0.00 0.65 0.34 0.14 -2.51 0.00 0.00 175.55 174.17 1cur s VAL 137 N -1.17 0.06 -0.53 -3.49 -7.23 0.37 -1.56 120.40 106.85 1cur s VAL 137 Ca 0.21 -0.50 -0.17 0.00 -1.81 0.00 0.00 61.98 59.71 1cur s VAL 137 Cb -0.12 -0.77 0.10 0.00 0.56 0.00 0.00 36.38 36.14 1cur s VAL 137 CO 0.12 -0.28 0.54 0.00 -0.31 0.00 0.00 175.10 175.18 1cur n GLN 139 N 5.66 0.68 -3.47 0.00 1.13 -1.26 -2.75 117.38 117.37 1cur n GLN 139 Ca -0.11 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.58 1cur n GLN 139 Cb 0.42 -1.16 -0.06 0.00 0.11 0.00 0.00 30.24 29.55 1cur n GLN 139 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1cur s ILE 140 N 0.44 4.99 0.19 5.09 1.01 -1.26 -4.82 121.20 126.84 1cur s ILE 140 Ca 0.00 0.78 -0.31 0.00 0.00 0.00 0.00 60.65 61.12 1cur s ILE 140 Cb 0.00 -3.72 -0.16 0.00 0.01 0.00 0.00 42.46 38.59 1cur s ILE 140 CO 0.00 0.45 0.97 -2.65 0.00 0.00 0.00 174.94 173.71 1cur n PRO 141 N 1.41 0.84 0.00 2.79 -0.02 -1.26 -2.40 135.00 136.36 1cur n PRO 141 Ca -0.11 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1cur n PRO 141 Cb 0.52 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 1.77 1.45 0.39 -1.23 0.00 0.33 -4.79 105.19 103.11 1cur n GLY 142 Ca 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 1cur n GLY 142 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1cur n HIS 143 N 0.00 -0.09 -0.32 1.61 8.25 -1.01 -0.22 115.22 123.43 1cur n HIS 143 Ca 0.00 1.23 0.11 0.00 -0.26 0.00 0.00 57.72 58.80 1cur n HIS 143 Cb 0.00 -0.80 0.28 0.00 1.12 0.00 0.00 29.99 30.60 1cur n HIS 143 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cur h ALA 144 N 1.14 1.48 0.03 -1.41 0.00 -1.66 -0.99 119.26 117.86 1cur h ALA 144 Ca 0.30 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1cur h ALA 144 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1cur h ALA 144 CO -0.97 -0.13 -0.01 0.00 0.00 0.00 0.00 179.25 178.14 1cur h ALA 145 N 1.63 -0.04 0.00 0.00 0.00 -0.75 -3.35 119.26 116.75 1cur h ALA 145 Ca 0.53 -0.31 -0.68 0.00 0.00 0.00 0.00 54.91 54.46 1cur h ALA 145 Cb 0.85 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1cur h ALA 145 CO -0.41 -0.19 3.68 0.25 0.00 0.00 0.00 179.25 182.58 1cur n THR 146 N -4.80 4.09 -3.25 0.00 -2.24 0.35 -4.63 114.28 103.80 1cur n THR 146 Ca -0.09 -2.66 -0.22 0.00 -2.27 0.00 0.00 64.05 58.81 1cur n THR 146 Cb 0.32 -2.61 0.05 0.00 -2.10 0.00 0.00 70.33 65.99 1cur n THR 146 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cur n GLY 147 N 3.71 -0.49 2.46 3.38 0.00 -1.20 -4.66 105.19 108.38 1cur n GLY 147 Ca 0.72 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 46.64 1cur n GLY 147 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1cur n MET 148 N -4.37 2.42 -3.17 1.61 2.00 -0.48 -3.47 117.12 111.66 1cur n MET 148 Ca -0.06 -4.53 -0.07 0.00 0.00 0.00 0.00 57.70 53.04 1cur n MET 148 Cb 0.59 -2.14 0.02 0.00 0.00 0.00 0.00 33.22 31.69 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 0.75 -2.03 0.00 2.03 -1.74 -1.26 -1.50 117.46 113.71 1cur n PHE 149 Ca 0.29 -1.47 0.00 0.00 -0.56 0.00 0.00 57.45 55.71 1cur n PHE 149 Cb 0.42 0.71 0.00 0.00 1.52 0.00 0.00 39.48 42.14 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 -0.42 1.03 3.89 4.97 0.00 -0.60 -4.46 105.19 109.59 1cur n GLY 150 Ca -0.07 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 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 3.28 -0.42 1.61 1.02 -1.26 -0.58 119.74 121.40 1cur s LYS 151 Ca 0.00 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.42 1cur s LYS 151 Cb 0.00 -2.91 0.12 0.00 -0.52 0.00 0.00 37.83 34.52 1cur s LYS 151 CO 0.00 0.55 0.17 0.42 -0.92 0.00 0.00 175.35 175.58 1cur s ILE 152 N -1.61 1.94 -0.05 2.17 1.01 0.50 -0.57 121.20 124.59 1cur s ILE 152 Ca 0.33 -2.57 -0.21 0.00 0.00 0.00 0.00 60.65 58.20 1cur s ILE 152 Cb -0.12 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1cur s ILE 152 CO 0.27 -0.75 0.61 -0.69 0.00 0.00 0.00 174.94 174.38 1cur s VAL 153 N 0.48 5.03 -0.23 2.92 1.01 0.56 -0.49 120.40 129.68 1cur s VAL 153 Ca 0.14 1.27 -0.00 0.00 0.00 0.00 0.00 61.98 63.39 1cur s VAL 153 Cb -0.22 -3.95 0.06 0.00 0.00 0.00 0.00 36.38 32.26 1cur s VAL 153 CO -0.06 0.33 -0.03 -0.69 0.00 0.00 0.00 175.10 174.65 1cur s VAL 154 N 0.41 1.26 0.00 2.92 1.01 0.16 -0.49 120.40 125.66 1cur s VAL 154 Ca 0.33 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1cur s VAL 154 Cb -0.17 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1cur s VAL 154 CO 0.16 -0.15 0.00 0.29 0.00 0.00 0.00 175.10 175.40