#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cur n THR 2 N 0.00 2.93 -1.78 2.61 -2.24 -1.26 -4.94 114.28 109.60 1cur n THR 2 Ca 0.00 -2.29 -0.36 0.00 -2.27 0.00 0.00 64.05 59.12 1cur n THR 2 Cb 0.00 -2.46 0.06 0.00 -2.10 0.00 0.00 70.33 65.83 1cur n THR 2 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1cur s LEU 3 N 1.30 3.58 -0.10 3.22 1.02 -1.26 -4.22 118.68 122.22 1cur s LEU 3 Ca 0.53 2.55 -0.09 0.00 0.02 0.00 0.00 54.13 57.14 1cur s LEU 3 Cb 0.14 -4.61 0.01 0.00 0.02 0.00 0.00 46.19 41.75 1cur s LEU 3 CO -0.01 -1.93 0.14 -0.67 0.02 0.00 0.00 176.35 173.90 1cur n ASP 4 N -1.89 -1.60 0.24 2.29 2.03 -1.16 -3.11 116.55 113.35 1cur n ASP 4 Ca 0.15 -0.01 0.09 0.00 0.52 0.00 0.00 54.79 55.54 1cur n ASP 4 Cb 0.49 -0.44 0.61 0.00 -0.72 0.00 0.00 41.12 41.05 1cur n ASP 4 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1cur h THR 5 N 0.86 0.81 0.00 5.18 1.35 -1.94 -3.37 112.91 115.79 1cur h THR 5 Ca -0.12 -0.69 -0.65 0.00 -0.55 0.00 0.00 66.41 64.40 1cur h THR 5 Cb 0.37 1.41 0.01 0.00 -1.73 0.00 0.00 68.15 68.21 1cur h THR 5 CO 0.05 0.17 3.37 0.41 -0.25 0.00 0.00 175.52 179.27 1cur n THR 6 N -3.86 3.64 -3.68 6.82 -1.04 -1.26 -4.90 114.28 109.99 1cur n THR 6 Ca -0.02 -2.51 -0.36 0.00 -2.04 0.00 0.00 64.05 59.12 1cur n THR 6 Cb 0.27 -2.54 -0.07 0.00 -1.82 0.00 0.00 70.33 66.18 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 2.85 3.52 0.31 -1.42 0.23 -1.26 -4.06 118.94 119.12 1cur s TRP 7 Ca 0.58 0.56 -0.03 0.00 -2.03 0.00 0.00 56.10 55.19 1cur s TRP 7 Cb 0.16 -2.17 0.01 0.00 0.03 0.00 0.00 33.47 31.50 1cur s TRP 7 CO -0.05 0.45 0.45 1.63 0.96 0.00 0.00 176.95 180.39 1cur n LYS 8 N 2.86 0.65 -4.09 4.98 5.02 -0.30 -5.01 118.16 122.26 1cur n LYS 8 Ca -0.16 -2.40 -0.20 0.00 -2.02 0.00 0.00 58.31 53.53 1cur n LYS 8 Cb 0.53 2.36 -0.16 0.00 -0.02 0.00 0.00 35.03 37.73 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 -2.64 0.76 0.00 1.97 8.01 -1.26 -0.47 118.70 125.06 1cur s GLU 9 Ca 0.24 -0.07 0.00 0.00 0.01 0.00 0.00 54.97 55.16 1cur s GLU 9 Cb -0.01 -0.83 0.00 0.00 -4.31 0.00 0.00 34.13 28.98 1cur s GLU 9 CO 0.18 -0.11 0.00 0.00 0.01 0.00 0.00 175.26 175.33 1cur n ALA 10 N 4.19 0.00 -2.34 5.21 0.00 0.62 -4.76 120.51 123.43 1cur n ALA 10 Ca -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.10 1cur n ALA 10 Cb 0.51 0.00 -0.09 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 1.84 0.04 0.16 0.00 -4.23 -1.26 -0.26 115.64 111.93 1cur s THR 11 Ca 0.00 -1.85 -0.29 0.00 -1.18 0.00 0.00 61.69 58.37 1cur s THR 11 Cb 0.00 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1cur s THR 11 CO 0.00 -0.17 1.51 -0.11 -0.54 0.00 0.00 174.62 175.31 1cur n LEU 12 N -0.22 -1.00 0.27 4.79 0.00 -1.06 -0.40 117.00 119.38 1cur n LEU 12 Ca -0.02 1.74 0.10 0.00 0.00 0.00 0.00 56.01 57.83 1cur n LEU 12 Cb 0.65 -0.24 0.70 0.00 0.00 0.00 0.00 43.42 44.53 1cur n LEU 12 CO 0.30 -1.43 1.07 1.55 0.00 0.00 0.00 177.39 178.89 1cur h PRO 13 N 0.00 0.00 0.00 1.96 0.13 -1.98 -0.21 132.00 131.90 1cur h PRO 13 Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 1cur h PRO 13 Cb 0.42 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1cur h PRO 13 CO -0.92 0.01 -0.17 1.96 -0.23 0.00 0.00 178.00 178.64 1cur h GLN 14 N 0.00 0.00 0.03 0.86 4.20 -1.13 -0.31 115.11 118.75 1cur h GLN 14 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1cur h GLN 14 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1cur h GLN 14 CO 0.00 0.17 -0.01 0.28 -0.67 0.00 0.00 178.83 178.60 1cur h VAL 15 N 0.00 1.06 -0.66 -0.54 2.07 -0.85 0.86 116.25 118.18 1cur h VAL 15 Ca -0.00 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.30 1cur h VAL 15 Cb 0.48 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1cur h VAL 15 CO 0.02 0.07 0.40 0.11 0.02 0.00 0.00 177.57 178.19 1cur h LYS 16 N -0.15 0.75 0.43 1.57 1.57 -1.39 0.10 116.57 119.45 1cur h LYS 16 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1cur h LYS 16 Cb 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1cur h LYS 16 CO 0.01 0.50 -0.44 0.00 -0.57 0.00 0.00 179.45 178.95 1cur h ALA 17 N 1.30 -0.96 -0.58 3.86 0.00 -0.85 -2.01 119.26 120.03 1cur h ALA 17 Ca 0.28 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1cur h ALA 17 Cb 0.07 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1cur h ALA 17 CO -0.13 -1.08 0.35 0.52 0.00 0.00 0.00 179.25 178.91 1cur h MET 18 N -0.88 0.66 -0.61 0.00 2.86 -0.39 -1.59 114.93 114.98 1cur h MET 18 Ca -0.04 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.68 1cur h MET 18 Cb 0.78 -0.15 -0.10 0.00 0.06 0.00 0.00 31.60 32.19 1cur h MET 18 CO -0.07 0.43 0.07 -0.07 1.06 0.00 0.00 176.91 178.34 1cur h LEU 19 N 0.68 -0.13 -1.34 1.22 3.38 -0.75 0.16 115.31 118.54 1cur h LEU 19 Ca 0.24 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1cur h LEU 19 Cb 0.05 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1cur h LEU 19 CO -0.11 -0.05 0.00 -0.62 0.09 0.00 0.00 178.44 177.74 1cur n GLU 20 N -5.20 0.16 -0.18 1.13 1.02 -0.61 -0.90 120.64 116.05 1cur n GLU 20 Ca 0.09 0.60 0.11 0.00 -0.02 0.00 0.00 57.16 57.95 1cur n GLU 20 Cb 0.35 -1.96 0.25 0.00 -0.02 0.00 0.00 31.44 30.06 1cur n GLU 20 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1cur n LYS 21 N -2.28 2.36 -2.42 3.49 4.76 0.56 -4.95 118.16 119.68 1cur n LYS 21 Ca -0.01 -2.06 -0.42 0.00 -2.87 0.00 0.00 58.31 52.95 1cur n LYS 21 Cb 0.07 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 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 -1.48 7.02 -0.29 4.39 -1.08 -0.08 -4.79 116.67 120.36 1cur s ASP 22 Ca 0.38 1.86 0.03 0.00 -0.52 0.00 0.00 52.55 54.30 1cur s ASP 22 Cb 0.22 -2.56 0.45 0.00 -1.46 0.00 0.00 42.92 39.57 1cur s ASP 22 CO 0.30 -0.61 1.59 0.35 0.52 0.00 0.00 175.17 177.33 1cur n THR 23 N 4.63 2.42 -3.61 1.71 -2.24 -1.20 -4.88 114.28 111.11 1cur n THR 23 Ca 0.11 -1.25 -0.40 0.00 -2.27 0.00 0.00 64.05 60.24 1cur n THR 23 Cb 0.46 -0.63 -0.11 0.00 -2.10 0.00 0.00 70.33 67.95 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 -0.53 1.91 0.62 3.38 0.00 -1.26 -3.55 107.32 107.90 1cur s GLY 24 Ca 0.38 -1.63 -0.11 0.00 0.00 0.00 0.00 44.72 43.36 1cur s GLY 24 CO 0.08 0.80 1.03 0.54 0.00 0.00 0.00 173.10 175.55 1cur s LYS 25 N 1.57 3.56 0.41 2.90 1.02 0.62 -4.81 119.74 125.02 1cur s LYS 25 Ca 0.03 0.77 -0.19 0.00 0.02 0.00 0.00 55.97 56.60 1cur s LYS 25 Cb -0.19 -2.07 -0.10 0.00 -0.52 0.00 0.00 37.83 34.95 1cur s LYS 25 CO 0.07 -0.60 0.90 0.08 -0.92 0.00 0.00 175.35 174.87 1cur s VAL 26 N -3.15 4.49 -0.42 3.17 1.01 -1.26 -0.42 120.40 123.81 1cur s VAL 26 Ca 0.55 1.30 0.08 0.00 0.00 0.00 0.00 61.98 63.91 1cur s VAL 26 Cb -0.11 -3.62 0.29 0.00 0.00 0.00 0.00 36.38 32.93 1cur s VAL 26 CO 0.53 -0.34 0.76 -1.20 0.00 0.00 0.00 175.10 174.85 1cur n SER 27 N -0.72 -0.74 0.00 3.32 7.64 0.10 -4.71 113.62 118.51 1cur n SER 27 Ca 0.06 -3.08 0.00 0.00 1.01 0.00 0.00 58.87 56.85 1cur n SER 27 Cb 0.54 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 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 0.97 1.26 2.15 0.23 0.00 -1.26 -1.57 105.19 106.97 1cur n GLY 28 Ca 0.17 0.39 -0.27 0.00 0.00 0.00 0.00 46.02 46.31 1cur n GLY 28 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cur n ASP 29 N 11.63 6.34 -3.51 1.61 5.75 -1.26 -4.88 116.55 132.23 1cur n ASP 29 Ca 0.00 -3.50 -0.11 0.00 -0.01 0.00 0.00 54.79 51.17 1cur n ASP 29 Cb 0.00 -0.95 -0.02 0.00 -1.03 0.00 0.00 41.12 39.12 1cur n ASP 29 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1cur s THR 30 N -3.69 0.00 0.15 2.12 2.01 -0.61 -4.16 115.64 111.47 1cur s THR 30 Ca 0.52 -0.19 0.11 0.00 0.31 0.00 0.00 61.69 62.44 1cur s THR 30 Cb 0.42 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1cur s THR 30 CO 0.02 0.00 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.00 1cur s VAL 31 N -3.73 2.27 -0.08 3.82 1.01 0.50 0.00 120.40 124.20 1cur s VAL 31 Ca 0.03 -1.86 -0.03 0.00 0.00 0.00 0.00 61.98 60.13 1cur s VAL 31 Cb -0.02 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.37 1cur s VAL 31 CO -0.09 0.00 0.08 -0.89 0.00 0.00 0.00 175.10 174.20 1cur s THR 32 N -1.31 -0.12 0.69 3.92 2.01 0.44 -0.26 115.64 121.02 1cur s THR 32 Ca 0.16 0.27 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 1cur s THR 32 Cb -0.09 -0.27 0.04 0.00 0.01 0.00 0.00 72.50 72.18 1cur s THR 32 CO 0.07 0.06 1.04 -0.31 -0.69 0.00 0.00 174.62 174.79 1cur s TYR 33 N 2.17 3.13 0.06 4.92 1.51 0.18 -0.28 117.35 129.05 1cur s TYR 33 Ca 0.04 0.73 -0.16 0.00 -1.01 0.00 0.00 57.07 56.67 1cur s TYR 33 Cb -0.13 -3.09 0.03 0.00 -0.11 0.00 0.00 41.96 38.66 1cur s TYR 33 CO -0.05 -1.25 0.38 -1.12 -1.11 0.00 0.00 175.55 172.39 1cur s SER 34 N -4.43 -0.22 0.10 2.29 0.01 -1.23 -4.48 113.70 105.74 1cur s SER 34 Ca 0.58 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.70 1cur s SER 34 Cb -0.11 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1cur s SER 34 CO 0.48 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1cur n GLY 35 N 0.33 -2.39 0.17 3.44 0.00 -1.26 -4.60 105.19 100.88 1cur n GLY 35 Ca -0.18 -1.40 0.03 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.26 0.00 -3.83 1.61 1.79 -1.94 -3.37 116.57 110.57 1cur h LYS 36 Ca -0.03 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.76 1cur h LYS 36 Cb 0.26 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1cur h LYS 36 CO 0.01 0.46 3.20 2.41 -1.08 0.00 0.00 179.45 184.44 1cur n THR 37 N -3.59 3.46 -2.54 -0.16 -1.04 -1.26 -0.58 114.28 108.56 1cur n THR 37 Ca -0.00 -2.76 -0.41 0.00 -2.04 0.00 0.00 64.05 58.84 1cur n THR 37 Cb 0.55 -2.57 -0.03 0.00 -1.82 0.00 0.00 70.33 66.46 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 3.16 3.72 -0.60 12.58 1.01 -1.21 -4.73 120.40 134.33 1cur s VAL 38 Ca 0.52 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.75 1cur s VAL 38 Cb 0.15 -4.90 0.16 0.00 0.00 0.00 0.00 36.38 31.78 1cur s VAL 38 CO -0.06 -1.84 0.47 -2.28 0.00 0.00 0.00 175.10 171.38 1cur s HIS 39 N 5.80 3.50 -0.51 5.22 2.46 -1.26 -0.34 115.29 130.15 1cur s HIS 39 Ca 0.37 -2.20 -0.23 0.00 0.47 0.00 0.00 55.06 53.47 1cur s HIS 39 Cb -0.08 -3.46 0.04 0.00 -0.13 0.00 0.00 32.58 28.95 1cur s HIS 39 CO 0.14 -0.94 0.82 0.08 -2.47 0.00 0.00 174.74 172.37 1cur s VAL 40 N 0.62 4.57 -0.87 0.89 1.01 -0.30 -3.24 120.40 123.08 1cur s VAL 40 Ca 0.12 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 1cur s VAL 40 Cb -0.21 -4.42 0.16 0.00 0.00 0.00 0.00 36.38 31.91 1cur s VAL 40 CO -0.04 -0.93 0.98 -0.69 0.00 0.00 0.00 175.10 174.42 1cur s VAL 41 N 3.46 5.04 -0.40 2.92 1.01 -1.26 -0.10 120.40 131.08 1cur s VAL 41 Ca 0.27 -1.84 -0.18 0.00 0.00 0.00 0.00 61.98 60.23 1cur s VAL 41 Cb -0.14 -4.65 0.01 0.00 0.00 0.00 0.00 36.38 31.60 1cur s VAL 41 CO 0.19 -1.32 0.49 0.00 0.00 0.00 0.00 175.10 174.46 1cur s ALA 42 N 1.82 3.43 0.16 5.51 0.00 0.53 -3.52 121.76 129.69 1cur s ALA 42 Ca 0.26 -1.28 -0.18 0.00 0.00 0.00 0.00 51.96 50.76 1cur s ALA 42 Cb -0.08 -3.07 -0.07 0.00 0.00 0.00 0.00 23.12 19.90 1cur s ALA 42 CO -0.08 -1.48 0.63 0.00 0.00 0.00 0.00 175.76 174.83 1cur s ALA 43 N 2.34 3.51 -0.25 0.00 0.00 0.49 -0.55 121.76 127.29 1cur s ALA 43 Ca 0.16 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 1cur s ALA 43 Cb -0.16 -2.68 0.08 0.00 0.00 0.00 0.00 23.12 20.36 1cur s ALA 43 CO 0.14 0.39 0.08 0.00 0.00 0.00 0.00 175.76 176.37 1cur s ALA 44 N -1.39 1.01 -1.00 0.00 0.00 0.01 -0.42 121.76 119.97 1cur s ALA 44 Ca 0.38 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 51.15 1cur s ALA 44 Cb -0.17 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 1cur s ALA 44 CO 0.20 -1.45 0.74 0.28 0.00 0.00 0.00 175.76 175.54 1cur n VAL 45 N 5.06 -6.24 -1.67 0.00 0.31 -1.26 -3.68 118.33 110.85 1cur n VAL 45 Ca -0.06 -0.66 -0.30 0.00 -0.01 0.00 0.00 64.34 63.31 1cur n VAL 45 Cb 0.44 -4.59 0.08 0.00 -0.91 0.00 0.00 33.84 28.86 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 -5.72 2.65 0.32 7.52 1.43 -1.26 -3.74 118.68 119.88 1cur s LEU 46 Ca 0.30 1.21 0.09 0.00 -1.03 0.00 0.00 54.13 54.70 1cur s LEU 46 Cb -0.11 -3.85 0.89 0.00 0.03 0.00 0.00 46.19 43.16 1cur s LEU 46 CO 0.85 -1.81 1.71 -0.65 0.23 0.00 0.00 176.35 176.67 1cur h PRO 47 N -0.98 0.47 0.00 1.29 0.11 -1.94 0.20 132.00 131.15 1cur h PRO 47 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1cur h PRO 47 Cb 1.27 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1cur h PRO 47 CO 0.61 0.31 -0.02 0.78 -0.21 0.00 0.00 178.00 179.47 1cur h GLY 48 N 0.49 0.00 -6.85 -0.55 0.00 -2.02 -3.29 103.07 90.85 1cur h GLY 48 Ca 0.65 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 47.36 1cur h GLY 48 CO -0.52 0.00 -0.59 0.69 0.00 0.00 0.00 176.54 176.13 1cur n PHE 49 N -3.51 3.25 -1.67 5.60 3.72 0.69 -5.03 117.46 120.50 1cur n PHE 49 Ca -0.03 -4.25 -0.39 0.00 -0.05 0.00 0.00 57.45 52.73 1cur n PHE 49 Cb 0.12 -0.59 -0.04 0.00 -0.94 0.00 0.00 39.48 38.03 1cur n PHE 49 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1cur n PRO 50 N 1.70 2.02 -0.64 -1.08 -0.04 -1.24 -3.99 135.00 131.73 1cur n PRO 50 Ca 0.23 -2.33 0.08 0.00 -0.04 0.00 0.00 63.50 61.43 1cur n PRO 50 Cb 0.37 -3.26 -0.04 0.00 -0.04 0.00 0.00 33.50 30.53 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 8.98 -1.70 -0.01 0.54 3.01 -1.26 -5.05 117.46 121.97 1cur n PHE 51 Ca 0.49 0.93 0.05 0.00 1.01 0.00 0.00 57.45 59.93 1cur n PHE 51 Cb 0.42 -1.55 -0.09 0.00 -0.01 0.00 0.00 39.48 38.25 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 -3.08 0.55 -2.57 -1.08 -0.04 -1.26 -5.11 135.00 122.41 1cur n PRO 52 Ca -0.04 -0.10 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 1cur n PRO 52 Cb 0.30 -1.28 0.04 0.00 -0.04 0.00 0.00 33.50 32.53 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 -3.45 5.18 0.81 3.54 1.04 -1.26 -4.49 113.70 115.06 1cur s SER 53 Ca -0.04 0.04 -0.12 0.00 0.48 0.00 0.00 55.95 56.31 1cur s SER 53 Cb 0.07 -0.87 0.08 0.00 0.10 0.00 0.00 66.02 65.39 1cur s SER 53 CO 0.48 -1.23 1.13 -0.36 0.98 0.00 0.00 173.24 174.23 1cur s PHE 54 N -2.84 2.89 0.04 5.02 0.08 -1.26 -4.22 117.98 117.69 1cur s PHE 54 Ca 0.58 0.96 0.03 0.00 0.12 0.00 0.00 56.93 58.62 1cur s PHE 54 Cb -0.10 -3.26 -0.02 0.00 -0.57 0.00 0.00 43.02 39.06 1cur s PHE 54 CO 0.39 -1.79 -0.09 -1.21 -0.10 0.00 0.00 175.22 172.42 1cur s GLU 55 N -5.33 0.62 -0.49 0.44 8.01 0.44 -3.49 118.70 118.90 1cur s GLU 55 Ca 0.61 -0.72 0.04 0.00 0.01 0.00 0.00 54.97 54.91 1cur s GLU 55 Cb -0.13 -0.48 0.17 0.00 -4.31 0.00 0.00 34.13 29.38 1cur s GLU 55 CO 0.52 0.10 0.39 0.28 0.01 0.00 0.00 175.26 176.56 1cur n VAL 56 N 1.66 -0.47 0.00 2.63 0.31 0.38 -0.38 118.33 122.47 1cur n VAL 56 Ca -0.21 -3.81 0.00 0.00 -0.01 0.00 0.00 64.34 60.31 1cur n VAL 56 Cb 0.55 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 1cur n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cur n HIS 57 N 2.56 0.00 -0.10 3.52 1.44 -1.23 -0.46 115.22 120.96 1cur n HIS 57 Ca 0.27 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.82 1cur n HIS 57 Cb 0.45 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.43 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 0.24 1.53 0.00 4.39 2.03 -1.26 -5.02 116.55 118.46 1cur n ASP 58 Ca 0.00 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1cur n ASP 58 Cb 0.00 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 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 -3.18 3.56 -1.04 -0.67 4.76 0.39 -5.16 118.16 116.83 1cur n LYS 59 Ca -0.40 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.04 1cur n LYS 59 Cb 1.04 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.23 1cur n LYS 59 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1cur n LYS 60 N 0.00 0.00 0.00 1.97 5.02 -1.26 -0.47 118.16 123.42 1cur n LYS 60 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1cur n LYS 60 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1cur n LYS 60 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1cur n ASN 61 N -1.56 0.00 0.00 4.39 3.02 -1.23 -4.57 115.26 115.32 1cur n ASN 61 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1cur n ASN 61 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1cur n ASN 61 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1cur n PRO 62 N -2.51 0.00 -0.79 3.52 -0.02 -1.26 -4.12 135.00 129.81 1cur n PRO 62 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.22 1cur n PRO 62 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 1cur n PRO 62 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1cur n THR 63 N 0.00 0.70 -4.78 3.45 -1.04 -1.26 -4.49 114.28 106.87 1cur n THR 63 Ca 0.00 -0.29 -0.33 0.00 -2.04 0.00 0.00 64.05 61.39 1cur n THR 63 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 1cur n THR 63 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1cur s LEU 64 N 2.24 2.80 -0.06 -4.42 1.02 0.29 -0.37 118.68 120.19 1cur s LEU 64 Ca 0.36 -0.23 0.01 0.00 0.02 0.00 0.00 54.13 54.28 1cur s LEU 64 Cb -0.45 -1.61 -0.03 0.00 0.02 0.00 0.00 46.19 44.13 1cur s LEU 64 CO 0.35 0.25 -0.06 -1.61 0.02 0.00 0.00 176.35 175.31 1cur s GLU 65 N -0.17 2.76 0.00 1.70 2.02 0.65 -0.77 118.70 124.90 1cur s GLU 65 Ca 0.00 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.46 1cur s GLU 65 Cb -0.13 -2.61 -0.01 0.00 0.10 0.00 0.00 34.13 31.48 1cur s GLU 65 CO 0.03 0.66 -0.05 0.42 0.02 0.00 0.00 175.26 176.35 1cur s ILE 66 N -0.83 0.36 -0.08 -1.63 1.01 0.91 -0.64 121.20 120.29 1cur s ILE 66 Ca 0.13 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.16 1cur s ILE 66 Cb -0.11 -0.33 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 1cur s ILE 66 CO 0.02 0.02 1.07 -2.16 0.00 0.00 0.00 174.94 173.89 1cur s PRO 67 N -0.33 4.41 0.48 2.79 0.04 -1.26 -0.49 135.00 140.63 1cur s PRO 67 Ca -0.00 1.50 -0.23 0.00 0.04 0.00 0.00 61.00 62.31 1cur s PRO 67 Cb -0.03 -3.54 -0.09 0.00 0.04 0.00 0.00 34.50 30.89 1cur s PRO 67 CO -0.00 -0.34 1.03 0.00 0.04 0.00 0.00 177.00 177.72 1cur n ALA 68 N 4.99 0.34 -0.95 8.56 0.00 0.26 -2.38 120.51 131.32 1cur n ALA 68 Ca 0.09 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1cur n ALA 68 Cb 0.48 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 1.17 0.75 3.71 0.00 0.00 -1.26 -5.01 105.19 104.54 1cur n GLY 69 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.12 1.84 -0.89 4.61 0.00 -1.00 -4.96 121.76 118.24 1cur s ALA 70 Ca 0.00 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.42 1cur s ALA 70 Cb 0.00 -3.42 0.17 0.00 0.00 0.00 0.00 23.12 19.86 1cur s ALA 70 CO 0.00 -2.27 0.99 0.99 0.00 0.00 0.00 175.76 175.46 1cur s THR 71 N -2.47 5.08 -0.76 0.00 2.01 0.25 -4.28 115.64 115.47 1cur s THR 71 Ca 0.68 -1.93 -0.26 0.00 0.31 0.00 0.00 61.69 60.49 1cur s THR 71 Cb -0.24 -4.66 0.02 0.00 0.01 0.00 0.00 72.50 67.63 1cur s THR 71 CO 0.53 -1.32 1.45 -0.69 -0.69 0.00 0.00 174.62 173.90 1cur s VAL 72 N 1.69 3.67 -0.80 3.82 1.01 0.12 -3.31 120.40 126.60 1cur s VAL 72 Ca 0.27 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 1cur s VAL 72 Cb -0.07 -4.71 0.13 0.00 0.00 0.00 0.00 36.38 31.73 1cur s VAL 72 CO -0.09 -1.65 0.94 -1.81 0.00 0.00 0.00 175.10 172.49 1cur s ASP 73 N 4.95 6.49 -0.56 3.32 1.01 0.53 -0.30 116.67 132.12 1cur s ASP 73 Ca 0.44 -1.89 -0.28 0.00 0.71 0.00 0.00 52.55 51.53 1cur s ASP 73 Cb -0.08 -2.34 0.03 0.00 1.01 0.00 0.00 42.92 41.54 1cur s ASP 73 CO 0.12 -1.03 1.18 -0.69 0.21 0.00 0.00 175.17 174.96 1cur s VAL 74 N 2.39 4.06 -0.49 -1.27 1.01 0.83 -1.15 120.40 125.77 1cur s VAL 74 Ca 0.24 0.98 -0.16 0.00 0.00 0.00 0.00 61.98 63.04 1cur s VAL 74 Cb -0.12 -4.70 0.09 0.00 0.00 0.00 0.00 36.38 31.65 1cur s VAL 74 CO -0.03 -1.26 0.43 -0.89 0.00 0.00 0.00 175.10 173.34 1cur s THR 75 N 4.86 5.23 0.44 3.92 2.01 0.86 -0.67 115.64 132.29 1cur s THR 75 Ca 0.44 -1.17 -0.17 0.00 0.31 0.00 0.00 61.69 61.10 1cur s THR 75 Cb -0.07 -4.18 -0.09 0.00 0.01 0.00 0.00 72.50 68.16 1cur s THR 75 CO 0.27 -0.66 0.91 -0.36 -0.69 0.00 0.00 174.62 174.09 1cur s PHE 76 N 1.64 3.39 -0.48 4.92 0.08 -1.12 -0.35 117.98 126.06 1cur s PHE 76 Ca 0.04 1.43 0.05 0.00 0.12 0.00 0.00 56.93 58.57 1cur s PHE 76 Cb -0.26 -2.73 0.18 0.00 -0.57 0.00 0.00 43.02 39.64 1cur s PHE 76 CO 0.06 -0.18 0.40 -0.89 -0.10 0.00 0.00 175.22 174.51 1cur n ILE 77 N -1.03 -0.44 -3.38 0.64 -0.00 0.29 -3.02 119.36 112.41 1cur n ILE 77 Ca 0.06 -3.84 -0.45 0.00 -0.00 0.00 0.00 62.75 58.52 1cur n ILE 77 Cb 0.54 -1.81 -0.02 0.00 -0.00 0.00 0.00 39.64 38.35 1cur n ILE 77 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 1cur s ASN 78 N -0.45 6.86 -0.35 4.38 2.47 -1.12 -0.81 114.94 125.92 1cur s ASN 78 Ca 0.32 -3.17 0.07 0.00 0.42 0.00 0.00 52.86 50.49 1cur s ASN 78 Cb 0.03 -2.17 0.50 0.00 -1.45 0.00 0.00 41.25 38.16 1cur s ASN 78 CO -0.18 -0.41 1.51 0.35 -3.72 0.00 0.00 177.10 174.65 1cur n THR 79 N 3.27 2.73 -1.79 -5.21 -2.24 -1.24 -4.61 114.28 105.19 1cur n THR 79 Ca 0.18 -3.07 -0.42 0.00 -2.27 0.00 0.00 64.05 58.47 1cur n THR 79 Cb 0.42 -0.62 -0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1cur n THR 79 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cur n ASN 80 N -1.01 3.91 -2.98 3.42 4.05 -1.25 -4.78 115.26 116.63 1cur n ASN 80 Ca 0.41 -2.84 -0.32 0.00 0.45 0.00 0.00 54.58 52.28 1cur n ASN 80 Cb 1.00 -1.65 -0.09 0.00 1.23 0.00 0.00 39.78 40.27 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 6.35 0.00 0.00 1.20 5.02 -1.26 -0.31 118.16 129.16 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 0.40 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 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 4.62 3.51 3.44 0.72 0.00 -1.26 -5.07 105.19 111.14 1cur n GLY 82 Ca 0.42 -0.99 -0.44 0.00 0.00 0.00 0.00 46.02 45.02 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 3.18 -0.05 1.61 0.40 0.57 -4.94 117.98 118.75 1cur s PHE 83 Ca 0.00 -0.62 0.28 0.00 -0.60 0.00 0.00 56.93 55.99 1cur s PHE 83 Cb 0.00 -3.07 1.42 0.00 0.51 0.00 0.00 43.02 41.87 1cur s PHE 83 CO 0.00 -0.79 1.85 0.78 0.70 0.00 0.00 175.22 177.76 1cur h GLY 84 N 9.03 0.00 0.00 4.36 0.00 -1.83 -3.41 103.07 111.22 1cur h GLY 84 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1cur h GLY 84 CO 0.85 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.81 1cur n HIS 85 N -2.50 0.00 0.00 5.60 8.25 -1.26 -1.12 115.22 124.19 1cur n HIS 85 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1cur n HIS 85 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1cur n HIS 85 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1cur n SER 86 N 0.08 0.00 -4.12 0.41 3.41 -1.26 -3.82 113.62 108.32 1cur n SER 86 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1cur n SER 86 Cb 0.00 0.23 -0.17 0.00 -0.26 0.00 0.00 64.21 64.01 1cur n SER 86 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1cur s PHE 87 N -3.06 1.88 -0.09 7.33 5.36 -1.26 -4.34 117.98 123.81 1cur s PHE 87 Ca 0.00 -0.67 -0.03 0.00 -0.96 0.00 0.00 56.93 55.27 1cur s PHE 87 Cb 0.00 -1.30 0.04 0.00 -0.34 0.00 0.00 43.02 41.43 1cur s PHE 87 CO 0.00 -0.28 0.06 -0.51 -1.46 0.00 0.00 175.22 173.03 1cur s ASP 88 N 0.36 1.65 -0.21 6.13 1.01 0.88 -0.64 116.67 125.84 1cur s ASP 88 Ca -0.12 -0.20 -0.13 0.00 0.71 0.00 0.00 52.55 52.81 1cur s ASP 88 Cb -0.15 -0.23 -0.04 0.00 1.01 0.00 0.00 42.92 43.51 1cur s ASP 88 CO 0.05 -0.28 0.27 -0.63 0.21 0.00 0.00 175.17 174.79 1cur s ILE 89 N 2.12 5.29 0.00 0.77 1.01 0.63 -0.51 121.20 130.51 1cur s ILE 89 Ca 0.04 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.13 1cur s ILE 89 Cb -0.14 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1cur s ILE 89 CO -0.05 0.31 0.00 1.07 0.00 0.00 0.00 174.94 176.27 1cur n THR 90 N 4.22 0.00 0.00 2.92 5.66 0.04 -0.73 114.28 126.39 1cur n THR 90 Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1cur n THR 90 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 0.00 0.00 1.09 5.02 -1.26 -0.19 118.16 122.82 1cur n LYS 91 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1cur n LYS 91 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1cur n LYS 91 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1cur n LYS 92 N 0.00 0.00 0.00 1.97 5.02 -1.26 -4.44 118.16 119.45 1cur n LYS 92 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1cur n LYS 92 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1cur n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cur n GLY 93 N 0.00 -1.67 3.79 0.72 0.00 -1.26 -4.97 105.19 101.79 1cur n GLY 93 Ca 0.00 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 1cur n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cur s PRO 94 N -2.74 2.64 0.08 1.61 0.04 -1.26 -4.21 135.00 131.17 1cur s PRO 94 Ca 0.00 1.14 -0.30 0.00 0.04 0.00 0.00 61.00 61.88 1cur s PRO 94 Cb 0.00 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 1cur s PRO 94 CO 0.00 -1.34 1.07 -1.25 0.04 0.00 0.00 177.00 175.52 1cur s PRO 95 N -4.75 4.56 0.47 0.56 0.04 -1.26 -5.15 135.00 129.47 1cur s PRO 95 Ca 0.61 1.60 -0.19 0.00 0.04 0.00 0.00 61.00 63.06 1cur s PRO 95 Cb -0.17 -3.37 -0.09 0.00 0.04 0.00 0.00 34.50 30.91 1cur s PRO 95 CO 0.52 -0.03 0.97 0.71 0.04 0.00 0.00 177.00 179.21 1cur s TYR 96 N 0.51 3.36 0.44 0.56 2.02 -1.26 -5.05 117.35 117.93 1cur s TYR 96 Ca 0.52 1.55 -0.18 0.00 -0.37 0.00 0.00 57.07 58.59 1cur s TYR 96 Cb -0.26 -2.83 -0.10 0.00 -0.40 0.00 0.00 41.96 38.37 1cur s TYR 96 CO 0.30 -0.25 0.93 0.00 -1.57 0.00 0.00 175.55 174.96 1cur s ALA 97 N -2.37 3.10 0.20 3.71 0.00 -1.26 -4.15 121.76 120.99 1cur s ALA 97 Ca 0.61 0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.73 1cur s ALA 97 Cb -0.10 -3.07 0.14 0.00 0.00 0.00 0.00 23.12 20.09 1cur s ALA 97 CO 0.21 0.03 1.82 0.28 0.00 0.00 0.00 175.76 178.11 1cur h VAL 98 N 1.56 1.22 -3.29 0.00 2.07 -1.96 -3.37 116.25 112.48 1cur h VAL 98 Ca -0.48 -0.54 -0.54 0.00 0.82 0.00 0.00 66.70 65.95 1cur h VAL 98 Cb 1.18 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1cur h VAL 98 CO 0.62 0.24 0.49 -0.04 0.02 0.00 0.00 177.57 178.90 1cur s MET 99 N -5.87 4.48 -1.26 1.57 -1.94 -1.26 -0.34 119.30 114.69 1cur s MET 99 Ca -0.13 1.54 -0.18 0.00 -1.71 0.00 0.00 55.69 55.21 1cur s MET 99 Cb 0.15 -3.45 0.00 0.00 2.01 0.00 0.00 34.83 33.54 1cur s MET 99 CO 0.80 -0.19 1.94 -0.35 -0.01 0.00 0.00 175.02 177.21 1cur n PRO 100 N 4.22 2.60 -2.19 2.03 -0.04 -1.26 -4.83 135.00 135.52 1cur n PRO 100 Ca 0.08 -2.75 -0.40 0.00 -0.04 0.00 0.00 63.50 60.39 1cur n PRO 100 Cb 0.49 -3.40 -0.01 0.00 -0.04 0.00 0.00 33.50 30.54 1cur n PRO 100 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1cur n VAL 101 N 6.19 3.33 -2.46 0.52 0.31 -1.26 -4.88 118.33 120.08 1cur n VAL 101 Ca 0.49 -3.31 -0.38 0.00 -0.01 0.00 0.00 64.34 61.13 1cur n VAL 101 Cb 0.43 -2.38 -0.03 0.00 -0.91 0.00 0.00 33.84 30.95 1cur n VAL 101 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1cur s ILE 102 N 5.21 3.83 0.53 2.52 -4.36 -1.26 -4.97 121.20 122.69 1cur s ILE 102 Ca 0.55 -0.72 -0.21 0.00 -0.26 0.00 0.00 60.65 60.01 1cur s ILE 102 Cb 0.06 -4.86 -0.07 0.00 1.25 0.00 0.00 42.46 38.85 1cur s ILE 102 CO 0.05 -1.75 1.08 0.47 0.24 0.00 0.00 174.94 175.04 1cur n ASP 103 N 9.89 1.46 -1.28 4.36 9.92 -1.26 -4.55 116.55 135.08 1cur n ASP 103 Ca 0.35 0.93 -0.18 0.00 -0.53 0.00 0.00 54.79 55.36 1cur n ASP 103 Cb 0.50 -1.43 -0.03 0.00 -0.64 0.00 0.00 41.12 39.52 1cur n ASP 103 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1cur n PRO 104 N -0.59 0.00 -2.64 -0.24 -0.02 -1.26 -4.80 135.00 125.45 1cur n PRO 104 Ca 0.11 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 1cur n PRO 104 Cb 0.44 -0.42 -0.03 0.00 -0.02 0.00 0.00 33.50 33.46 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 1.16 4.53 0.00 4.25 -1.09 -1.26 -4.73 121.20 124.06 1cur s ILE 105 Ca 0.31 1.91 0.00 0.00 -2.23 0.00 0.00 60.65 60.64 1cur s ILE 105 Cb -0.42 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.24 1cur s ILE 105 CO 0.21 0.20 0.00 0.52 -1.23 0.00 0.00 174.94 174.64 1cur n VAL 106 N 3.51 0.00 -3.69 2.92 0.31 0.09 -4.94 118.33 116.53 1cur n VAL 106 Ca 0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.07 1cur n VAL 106 Cb 0.49 -0.07 -0.05 0.00 -0.91 0.00 0.00 33.84 33.30 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 -4.04 3.81 0.02 3.52 0.00 -1.21 -4.98 121.76 118.87 1cur s ALA 107 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 1cur s ALA 107 Cb 0.00 -2.11 0.10 0.00 0.00 0.00 0.00 23.12 21.11 1cur s ALA 107 CO 0.00 0.68 1.05 0.20 0.00 0.00 0.00 175.76 177.68 1cur s GLY 108 N -2.35 -0.34 -0.16 0.00 0.00 -1.26 -0.27 107.32 102.94 1cur s GLY 108 Ca 0.39 0.70 0.01 0.00 0.00 0.00 0.00 44.72 45.83 1cur s GLY 108 CO 0.24 0.20 -0.19 -0.51 0.00 0.00 0.00 173.10 172.83 1cur s THR 109 N -2.93 2.22 -1.16 0.90 -4.23 0.18 -3.00 115.64 107.62 1cur s THR 109 Ca 0.10 -0.91 -0.08 0.00 -1.18 0.00 0.00 61.69 59.62 1cur s THR 109 Cb 0.00 -1.91 -0.12 0.00 1.34 0.00 0.00 72.50 71.81 1cur s THR 109 CO -0.03 0.54 2.89 0.61 -0.54 0.00 0.00 174.62 178.08 1cur n GLY 110 N 4.27 3.74 1.60 3.99 0.00 -1.18 -4.26 105.19 113.35 1cur n GLY 110 Ca -0.20 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1cur n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cur n PHE 111 N 3.47 -3.85 -2.45 1.61 3.72 -1.26 -4.94 117.46 113.76 1cur n PHE 111 Ca 0.64 2.17 -0.41 0.00 -0.05 0.00 0.00 57.45 59.81 1cur n PHE 111 Cb 0.34 -3.28 -0.04 0.00 -0.94 0.00 0.00 39.48 35.56 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 -1.06 7.20 -1.07 4.37 1.04 -0.28 -4.92 113.70 118.99 1cur s SER 112 Ca 0.00 2.18 -0.23 0.00 0.48 0.00 0.00 55.95 58.38 1cur s SER 112 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 1cur s SER 112 CO 0.00 -0.26 1.88 -2.16 0.98 0.00 0.00 173.24 173.68 1cur s PRO 113 N -0.58 2.74 0.23 4.02 0.04 -1.26 -4.29 135.00 135.89 1cur s PRO 113 Ca 0.49 -0.88 -0.29 0.00 0.04 0.00 0.00 61.00 60.36 1cur s PRO 113 Cb -0.31 -5.21 -0.16 0.00 0.04 0.00 0.00 34.50 28.87 1cur s PRO 113 CO 0.37 -3.45 0.81 1.33 0.04 0.00 0.00 177.00 176.11 1cur n VAL 114 N 7.64 1.81 -1.44 -0.36 0.24 -1.26 -4.75 118.33 120.21 1cur n VAL 114 Ca 0.42 -0.45 -0.25 0.00 -2.04 0.00 0.00 64.34 62.02 1cur n VAL 114 Cb 0.47 -0.51 0.19 0.00 -1.47 0.00 0.00 33.84 32.52 1cur n VAL 114 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1cur n PRO 115 N 0.98 -1.82 -4.57 7.34 -0.04 -1.26 -4.90 135.00 130.73 1cur n PRO 115 Ca 0.14 -1.63 -0.27 0.00 -0.04 0.00 0.00 63.50 61.71 1cur n PRO 115 Cb 0.27 -1.25 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 1cur n PRO 115 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1cur s LYS 116 N -5.30 1.96 -0.38 0.54 3.01 -1.26 -4.79 119.74 113.51 1cur s LYS 116 Ca 0.62 -2.20 -0.39 0.00 -1.01 0.00 0.00 55.97 53.00 1cur s LYS 116 Cb -0.03 -0.91 -0.17 0.00 -1.01 0.00 0.00 37.83 35.71 1cur s LYS 116 CO 0.45 -0.40 1.29 -3.47 0.51 0.00 0.00 175.35 173.74 1cur n ASP 117 N -1.20 0.91 0.00 2.83 4.64 -1.26 -0.83 116.55 121.63 1cur n ASP 117 Ca -0.09 0.99 0.00 0.00 -1.38 0.00 0.00 54.79 54.32 1cur n ASP 117 Cb 0.66 -0.74 0.00 0.00 -1.04 0.00 0.00 41.12 40.00 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 3.14 2.76 3.89 0.27 0.00 -1.26 -5.00 105.19 108.98 1cur n GLY 118 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.07 3.67 -0.36 1.61 1.02 -0.01 -2.55 119.74 123.05 1cur s LYS 119 Ca 0.00 0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.41 1cur s LYS 119 Cb 0.00 -2.34 0.13 0.00 -0.52 0.00 0.00 37.83 35.11 1cur s LYS 119 CO 0.00 -0.17 0.21 -0.06 -0.92 0.00 0.00 175.35 174.40 1cur s PHE 120 N -2.62 1.02 -0.25 3.18 0.40 0.64 -4.48 117.98 115.86 1cur s PHE 120 Ca 0.50 -1.75 -0.40 0.00 -0.60 0.00 0.00 56.93 54.68 1cur s PHE 120 Cb -0.10 -1.17 -0.16 0.00 0.51 0.00 0.00 43.02 42.09 1cur s PHE 120 CO 0.39 -0.82 1.68 0.41 0.70 0.00 0.00 175.22 177.58 1cur n GLY 121 N 4.06 0.76 3.38 4.36 0.00 -1.26 -0.28 105.19 116.20 1cur n GLY 121 Ca 0.09 0.91 -0.15 0.00 0.00 0.00 0.00 46.02 46.87 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 3.14 1.24 0.23 1.61 1.13 0.38 -2.81 117.35 122.26 1cur s TYR 122 Ca 0.97 -1.38 -0.19 0.00 -1.41 0.00 0.00 57.07 55.07 1cur s TYR 122 Cb -1.09 -0.36 0.03 0.00 -1.10 0.00 0.00 41.96 39.44 1cur s TYR 122 CO 0.65 -0.94 0.59 0.99 -2.51 0.00 0.00 175.55 174.33 1cur s THR 123 N -3.48 0.01 -0.41 -3.49 2.01 -1.17 -1.15 115.64 107.96 1cur s THR 123 Ca 0.35 -0.84 0.09 0.00 0.31 0.00 0.00 61.69 61.59 1cur s THR 123 Cb 0.02 -1.73 0.29 0.00 0.01 0.00 0.00 72.50 71.09 1cur s THR 123 CO 0.20 -0.05 0.75 0.47 -0.69 0.00 0.00 174.62 175.30 1cur n ASP 124 N -0.39 -0.55 -4.74 3.53 9.92 -1.25 -2.79 116.55 120.29 1cur n ASP 124 Ca -0.08 -3.07 -0.41 0.00 -0.53 0.00 0.00 54.79 50.71 1cur n ASP 124 Cb 0.62 0.21 -0.04 0.00 -0.64 0.00 0.00 41.12 41.26 1cur n ASP 124 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1cur s PHE 125 N -1.03 3.74 -0.17 1.24 -0.12 0.15 -4.74 117.98 117.04 1cur s PHE 125 Ca 0.34 1.73 -0.10 0.00 -0.05 0.00 0.00 56.93 58.84 1cur s PHE 125 Cb 0.26 -3.14 -0.05 0.00 -0.63 0.00 0.00 43.02 39.46 1cur s PHE 125 CO -0.11 -0.13 0.17 0.99 -0.05 0.00 0.00 175.22 176.09 1cur s THR 126 N -0.26 5.40 0.01 -4.49 2.01 -1.26 -0.12 115.64 116.93 1cur s THR 126 Ca 0.47 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.76 1cur s THR 126 Cb -0.26 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 1cur s THR 126 CO 0.32 0.48 -0.04 0.86 -0.69 0.00 0.00 174.62 175.55 1cur s TRP 127 N 0.02 0.31 -0.44 4.92 -0.00 0.59 -4.98 118.94 119.36 1cur s TRP 127 Ca 0.12 -0.20 -0.05 0.00 -0.00 0.00 0.00 56.10 55.97 1cur s TRP 127 Cb -0.12 -0.20 0.12 0.00 -0.00 0.00 0.00 33.47 33.27 1cur s TRP 127 CO 0.01 -0.05 0.26 -1.01 -0.00 0.00 0.00 176.95 176.16 1cur s HIS 128 N -0.50 3.54 0.96 5.86 3.76 -1.26 0.15 115.29 127.80 1cur s HIS 128 Ca -0.04 -2.29 -0.15 0.00 -0.15 0.00 0.00 55.06 52.44 1cur s HIS 128 Cb -0.04 -3.30 0.18 0.00 1.11 0.00 0.00 32.58 30.52 1cur s HIS 128 CO -0.00 -0.97 1.19 -1.25 -0.85 0.00 0.00 174.74 172.86 1cur s PRO 129 N 1.13 0.68 0.18 8.40 0.04 -1.26 -5.04 135.00 139.12 1cur s PRO 129 Ca 0.08 -0.01 0.11 0.00 0.04 0.00 0.00 61.00 61.22 1cur s PRO 129 Cb -0.23 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1cur s PRO 129 CO -0.03 -2.45 -0.22 0.95 0.04 0.00 0.00 177.00 175.28 1cur s THR 130 N -3.45 2.48 0.42 1.26 -4.23 -1.26 -4.23 115.64 106.62 1cur s THR 130 Ca 0.68 -1.93 -0.26 0.00 -1.18 0.00 0.00 61.69 59.00 1cur s THR 130 Cb -0.10 -2.18 -0.10 0.00 1.34 0.00 0.00 72.50 71.46 1cur s THR 130 CO 0.53 -0.08 1.33 0.00 -0.54 0.00 0.00 174.62 175.85 1cur n ALA 131 N 0.33 1.55 0.00 3.99 0.00 -1.26 -4.69 120.51 120.43 1cur n ALA 131 Ca -0.13 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1cur n ALA 131 Cb 0.55 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 0.73 0.51 3.32 0.00 0.00 0.54 -4.98 105.19 105.30 1cur n GLY 132 Ca 0.06 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 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 0.01 0.38 2.61 2.01 -1.26 -0.57 115.64 118.82 1cur s THR 133 Ca 0.00 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 61.94 1cur s THR 133 Cb 0.00 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 1cur s THR 133 CO 0.00 -0.06 0.18 -1.22 -0.69 0.00 0.00 174.62 172.83 1cur n TYR 134 N 2.37 -0.11 -3.92 4.92 4.02 0.29 -4.95 117.16 119.77 1cur n TYR 134 Ca -0.15 -2.59 -0.10 0.00 -0.01 0.00 0.00 57.90 55.05 1cur n TYR 134 Cb 0.57 0.07 -0.11 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 -3.11 0.12 -0.01 -0.72 1.51 0.73 -0.41 117.35 115.46 1cur s TYR 135 Ca 0.25 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1cur s TYR 135 Cb 0.01 -0.10 -0.04 0.00 -0.11 0.00 0.00 41.96 41.73 1cur s TYR 135 CO 0.18 -0.17 0.13 1.52 -1.11 0.00 0.00 175.55 176.09 1cur s TYR 136 N -1.04 3.40 0.10 2.71 1.13 0.26 -0.78 117.35 123.14 1cur s TYR 136 Ca -0.11 0.27 -0.08 0.00 -1.41 0.00 0.00 57.07 55.74 1cur s TYR 136 Cb -0.07 -1.78 -0.00 0.00 -1.10 0.00 0.00 41.96 39.01 1cur s TYR 136 CO -0.00 0.60 0.19 0.14 -2.51 0.00 0.00 175.55 173.96 1cur s VAL 137 N -1.25 0.14 -0.23 -3.49 -7.23 0.33 -2.12 120.40 106.55 1cur s VAL 137 Ca 0.25 -1.24 -0.11 0.00 -1.81 0.00 0.00 61.98 59.06 1cur s VAL 137 Cb -0.12 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.35 1cur s VAL 137 CO 0.16 -0.62 0.20 0.00 -0.31 0.00 0.00 175.10 174.53 1cur h GLN 139 N 7.35 0.00 -6.54 0.00 4.20 -1.77 -3.29 115.11 115.05 1cur h GLN 139 Ca -0.38 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 57.77 1cur h GLN 139 Cb 1.17 0.00 0.05 0.00 0.30 0.00 0.00 27.48 29.00 1cur h GLN 139 CO 0.68 0.00 0.92 -0.89 -0.67 0.00 0.00 178.83 178.87 1cur n ILE 140 N -4.15 0.07 -1.49 2.54 2.08 -1.25 -4.64 119.36 112.52 1cur n ILE 140 Ca -0.02 -0.01 -0.49 0.00 0.56 0.00 0.00 62.75 62.79 1cur n ILE 140 Cb 0.11 -1.76 -0.03 0.00 -0.75 0.00 0.00 39.64 37.20 1cur n ILE 140 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1cur n PRO 141 N 4.01 0.52 0.00 0.38 -0.02 -1.26 -1.38 135.00 137.25 1cur n PRO 141 Ca 0.17 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1cur n PRO 141 Cb 0.32 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 1.76 2.56 0.11 -1.23 0.00 0.54 -4.84 105.19 104.10 1cur n GLY 142 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.17 -0.65 1.61 3.86 -1.49 0.13 115.15 118.44 1cur h HIS 143 Ca 0.00 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1cur h HIS 143 Cb 0.00 0.06 -0.05 0.00 1.06 0.00 0.00 27.41 28.48 1cur h HIS 143 CO 0.00 -0.00 0.38 0.00 0.86 0.00 0.00 177.93 179.17 1cur h ALA 144 N 0.54 0.86 -0.66 2.45 0.00 -1.73 0.14 119.26 120.86 1cur h ALA 144 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cur h ALA 144 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1cur h ALA 144 CO 0.03 0.10 0.39 0.00 0.00 0.00 0.00 179.25 179.78 1cur h ALA 145 N 1.31 0.84 0.18 0.00 0.00 -1.60 -3.25 119.26 116.74 1cur h ALA 145 Ca 0.27 -0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.81 1cur h ALA 145 Cb 0.09 -0.27 0.03 0.00 0.00 0.00 0.00 17.79 17.65 1cur h ALA 145 CO -0.14 0.32 -1.26 1.79 0.00 0.00 0.00 179.25 179.97 1cur h THR 146 N 0.90 1.33 0.00 0.00 1.35 -0.39 -3.44 112.91 112.65 1cur h THR 146 Ca 0.24 -2.57 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 1cur h THR 146 Cb -0.02 2.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1cur h THR 146 CO -0.04 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 1cur n GLY 147 N 1.58 0.00 3.34 5.82 0.00 -0.11 -4.98 105.19 110.83 1cur n GLY 147 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 2.95 -2.33 1.61 2.00 0.31 -4.34 117.12 117.33 1cur n MET 148 Ca 0.00 -3.00 -0.04 0.00 0.00 0.00 0.00 57.70 54.66 1cur n MET 148 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 33.22 29.79 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 8.15 -1.64 0.00 2.03 1.16 -1.26 -2.05 117.46 123.85 1cur n PHE 149 Ca 0.50 -0.88 0.00 0.00 -1.87 0.00 0.00 57.45 55.19 1cur n PHE 149 Cb 0.44 0.44 0.00 0.00 -1.61 0.00 0.00 39.48 38.75 1cur n PHE 149 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1cur n GLY 150 N -0.26 1.83 3.88 4.97 0.00 -0.90 -4.46 105.19 110.25 1cur n GLY 150 Ca -0.04 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 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 3.35 -0.33 1.61 1.02 -1.26 -0.57 119.74 121.55 1cur s LYS 151 Ca 0.00 -0.41 0.03 0.00 0.02 0.00 0.00 55.97 55.61 1cur s LYS 151 Cb 0.00 -3.02 0.10 0.00 -0.52 0.00 0.00 37.83 34.39 1cur s LYS 151 CO 0.00 0.64 0.05 0.42 -0.92 0.00 0.00 175.35 175.54 1cur s ILE 152 N -1.38 2.09 -0.23 2.17 1.01 0.45 -0.54 121.20 124.77 1cur s ILE 152 Ca 0.29 -2.18 -0.21 0.00 0.00 0.00 0.00 60.65 58.55 1cur s ILE 152 Cb -0.13 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 1cur s ILE 152 CO 0.21 -0.57 0.64 -0.69 0.00 0.00 0.00 174.94 174.54 1cur s VAL 153 N 1.00 4.99 -0.56 2.92 1.01 0.06 -0.55 120.40 129.26 1cur s VAL 153 Ca 0.10 1.18 -0.06 0.00 0.00 0.00 0.00 61.98 63.20 1cur s VAL 153 Cb -0.19 -3.95 0.15 0.00 0.00 0.00 0.00 36.38 32.39 1cur s VAL 153 CO -0.10 0.05 0.41 -0.69 0.00 0.00 0.00 175.10 174.77 1cur s VAL 154 N 2.33 4.02 0.00 2.92 1.01 0.27 -0.06 120.40 130.88 1cur s VAL 154 Ca 0.28 -2.38 0.00 0.00 0.00 0.00 0.00 61.98 59.87 1cur s VAL 154 Cb -0.16 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1cur s VAL 154 CO 0.09 -0.83 0.00 0.29 0.00 0.00 0.00 175.10 174.65