#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1syr s VAL 10 N 0.00 4.50 0.15 1.12 -7.23 -1.26 -5.00 120.40 112.67 1syr s VAL 10 Ca 0.00 1.34 -0.33 0.00 -1.81 0.00 0.00 61.98 61.18 1syr s VAL 10 Cb 0.00 -3.79 -0.13 0.00 0.56 0.00 0.00 36.38 33.02 1syr s VAL 10 CO 0.00 0.03 1.69 1.17 -0.31 0.00 0.00 175.10 177.68 1syr n LYS 11 N 0.24 2.46 -3.38 4.82 4.81 -1.25 -4.76 118.16 121.10 1syr n LYS 11 Ca 0.01 0.89 -0.44 0.00 -0.87 0.00 0.00 58.31 57.90 1syr n LYS 11 Cb 0.52 -2.71 -0.08 0.00 0.02 0.00 0.00 35.03 32.78 1syr n LYS 11 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1syr s ILE 12 N 1.54 5.20 0.54 3.15 1.01 -1.26 -0.44 121.20 130.95 1syr s ILE 12 Ca 0.79 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 1syr s ILE 12 Cb -0.59 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 37.72 1syr s ILE 12 CO 0.37 -0.54 1.18 0.68 0.00 0.00 0.00 174.94 176.63 1syr s VAL 13 N 1.76 2.91 0.00 2.92 -7.23 -0.67 -4.97 120.40 115.12 1syr s VAL 13 Ca 0.06 0.60 0.00 0.00 -1.81 0.00 0.00 61.98 60.82 1syr s VAL 13 Cb -0.22 -3.26 0.00 0.00 0.56 0.00 0.00 36.38 33.46 1syr s VAL 13 CO 0.08 -0.09 0.30 0.35 -0.31 0.00 0.00 175.10 175.43 1syr n THR 14 N -1.20 0.00 -3.73 5.32 -2.24 -1.26 -4.58 114.28 106.60 1syr n THR 14 Ca 0.11 -0.34 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 1syr n THR 14 Cb 0.49 1.29 -0.06 0.00 -2.10 0.00 0.00 70.33 69.96 1syr n THR 14 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1syr s SER 15 N -0.07 -0.09 0.16 3.42 1.04 -1.26 -4.84 113.70 112.05 1syr s SER 15 Ca 0.00 -0.42 -0.11 0.00 0.48 0.00 0.00 55.95 55.90 1syr s SER 15 Cb 0.00 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.56 1syr s SER 15 CO 0.00 -0.78 1.59 -0.61 0.98 0.00 0.00 173.24 174.42 1syr h GLN 16 N 2.60 0.97 -0.41 4.02 4.15 -1.96 -2.06 115.11 122.42 1syr h GLN 16 Ca -0.34 -0.35 0.09 0.00 0.77 0.00 0.00 58.65 58.82 1syr h GLN 16 Cb 1.23 -0.07 -0.08 0.00 0.21 0.00 0.00 27.48 28.77 1syr h GLN 16 CO 0.50 1.02 -0.15 0.00 -1.93 0.00 0.00 178.83 178.27 1syr h ALA 17 N 0.92 0.20 -0.49 3.38 0.00 -1.99 -0.48 119.26 120.79 1syr h ALA 17 Ca 0.14 0.16 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 1syr h ALA 17 Cb 0.63 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1syr h ALA 17 CO 0.04 -0.50 -0.21 1.49 0.00 0.00 0.00 179.25 180.08 1syr h GLU 18 N -0.06 1.00 0.29 0.00 4.81 -1.93 -1.63 114.58 117.06 1syr h GLU 18 Ca 0.20 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1syr h GLU 18 Cb 0.37 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1syr h GLU 18 CO -0.46 1.10 -0.14 0.35 -0.73 0.00 0.00 179.01 179.14 1syr h PHE 19 N 0.87 -0.36 -0.59 0.92 3.57 -0.98 -1.42 116.94 118.95 1syr h PHE 19 Ca 0.11 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.70 1syr h PHE 19 Cb 0.79 0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.57 1syr h PHE 19 CO 0.05 -0.16 0.19 -0.44 -2.23 0.00 0.00 178.31 175.72 1syr h ASP 20 N -0.48 0.15 0.84 0.41 5.19 -1.04 -0.51 116.42 120.98 1syr h ASP 20 Ca -0.04 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1syr h ASP 20 Cb 0.36 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1syr h ASP 20 CO 0.06 0.10 0.00 -1.54 -3.12 0.00 0.00 179.24 174.74 1syr n SER 21 N -5.04 0.00 -0.04 6.45 3.41 -0.62 -2.78 113.62 115.00 1syr n SER 21 Ca 0.08 0.29 -0.22 0.00 -0.26 0.00 0.00 58.87 58.76 1syr n SER 21 Cb 0.28 -0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 63.67 1syr n SER 21 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1syr h ILE 22 N 0.00 0.78 -3.22 -1.33 2.04 -0.74 -3.50 117.51 111.53 1syr h ILE 22 Ca 0.00 -2.27 -0.54 0.00 1.00 0.00 0.00 64.86 63.05 1syr h ILE 22 Cb 0.42 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1syr h ILE 22 CO 0.00 0.63 0.55 -0.51 0.00 0.00 0.00 178.15 178.81 1syr s ILE 23 N -2.47 4.30 0.00 -0.67 1.10 -0.25 -5.09 121.20 118.12 1syr s ILE 23 Ca -0.25 1.64 0.00 0.00 -0.51 0.00 0.00 60.65 61.53 1syr s ILE 23 Cb 0.06 -4.05 0.00 0.00 0.15 0.00 0.00 42.46 38.62 1syr s ILE 23 CO 0.69 0.10 0.00 0.52 -2.11 0.00 0.00 174.94 174.14 1syr n VAL 29 N 4.08 0.00 -4.40 4.00 0.31 0.17 -3.99 118.33 118.50 1syr n VAL 29 Ca 0.09 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.07 1syr n VAL 29 Cb 0.47 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.30 1syr n VAL 29 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1syr s ILE 30 N -0.46 4.08 -0.09 2.52 2.07 -0.37 -0.10 121.20 128.85 1syr s ILE 30 Ca 0.00 -0.31 0.03 0.00 -1.41 0.00 0.00 60.65 58.96 1syr s ILE 30 Cb 0.00 -2.75 0.01 0.00 0.13 0.00 0.00 42.46 39.85 1syr s ILE 30 CO 0.00 0.55 -0.20 0.54 -1.91 0.00 0.00 174.94 173.92 1syr s VAL 31 N -0.28 1.76 -0.42 4.00 0.11 0.14 -0.69 120.40 125.01 1syr s VAL 31 Ca 0.05 -0.84 -0.13 0.00 -2.93 0.00 0.00 61.98 58.14 1syr s VAL 31 Cb -0.12 -1.54 0.05 0.00 -1.53 0.00 0.00 36.38 33.24 1syr s VAL 31 CO 0.02 0.49 0.29 -0.62 -3.33 0.00 0.00 175.10 171.95 1syr s ASP 32 N 0.50 5.90 -0.79 3.54 2.15 -0.37 -1.16 116.67 126.44 1syr s ASP 32 Ca -0.16 -1.19 -0.22 0.00 0.43 0.00 0.00 52.55 51.41 1syr s ASP 32 Cb -0.17 -2.09 0.08 0.00 -0.30 0.00 0.00 42.92 40.45 1syr s ASP 32 CO 0.06 -0.51 1.09 -0.36 -0.17 0.00 0.00 175.17 175.29 1syr s PHE 33 N 1.57 2.77 0.52 -5.34 0.08 0.15 -0.97 117.98 116.75 1syr s PHE 33 Ca 0.03 -0.81 0.04 0.00 0.12 0.00 0.00 56.93 56.31 1syr s PHE 33 Cb -0.21 -4.36 0.01 0.00 -0.57 0.00 0.00 43.02 37.88 1syr s PHE 33 CO 0.06 -1.66 0.23 -0.59 -0.10 0.00 0.00 175.22 173.15 1syr s PHE 34 N 3.86 1.83 -0.11 0.36 -0.71 0.22 -3.16 117.98 120.28 1syr s PHE 34 Ca 0.29 -0.85 -0.30 0.00 -1.04 0.00 0.00 56.93 55.03 1syr s PHE 34 Cb -0.11 -1.81 0.08 0.00 -1.21 0.00 0.00 43.02 39.97 1syr s PHE 34 CO 0.02 -0.13 0.72 0.00 -1.34 0.00 0.00 175.22 174.49 1syr s ALA 35 N -2.79 -1.79 -0.67 1.99 0.00 -1.26 -1.04 121.76 116.19 1syr s ALA 35 Ca 0.24 1.51 0.21 0.00 0.00 0.00 0.00 51.96 53.92 1syr s ALA 35 Cb -0.00 -0.35 0.87 0.00 0.00 0.00 0.00 23.12 23.64 1syr s ALA 35 CO 0.14 -0.35 1.65 0.39 0.00 0.00 0.00 175.76 177.59 1syr n GLU 36 N 1.31 0.13 -0.03 0.00 -0.58 -1.26 -1.81 120.64 118.40 1syr n GLU 36 Ca -0.17 0.34 0.13 0.00 -0.42 0.00 0.00 57.16 57.04 1syr n GLU 36 Cb 0.57 -1.74 0.43 0.00 -0.57 0.00 0.00 31.44 30.12 1syr n GLU 36 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1syr n TRP 37 N -1.99 0.09 -3.82 -0.32 4.27 -1.26 -4.80 117.44 109.61 1syr n TRP 37 Ca 0.03 -0.04 -0.36 0.00 -3.89 0.00 0.00 57.50 53.24 1syr n TRP 37 Cb 0.23 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.06 1syr n TRP 37 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1syr h GLY 39 N 8.02 -0.14 -0.13 0.00 0.00 -1.87 -0.87 103.07 108.09 1syr h GLY 39 Ca -0.15 0.23 0.19 0.00 0.00 0.00 0.00 47.33 47.61 1syr h GLY 39 CO 0.65 -0.18 0.32 -2.55 0.00 0.00 0.00 176.54 174.78 1syr h PRO 40 N -0.23 0.36 -0.31 4.80 0.11 -1.94 -1.82 132.00 132.97 1syr h PRO 40 Ca 0.10 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.24 1syr h PRO 40 Cb 0.39 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.37 1syr h PRO 40 CO -0.28 0.24 0.06 0.00 -0.21 0.00 0.00 178.00 177.80 1syr h LYS 42 N 0.16 0.91 -0.86 0.00 1.57 -0.97 -2.90 116.57 114.49 1syr h LYS 42 Ca 0.15 -0.17 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 1syr h LYS 42 Cb 0.16 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.26 1syr h LYS 42 CO -0.20 0.79 0.51 0.00 -0.57 0.00 0.00 179.45 179.98 1syr h ARG 43 N 0.84 0.84 0.00 3.15 3.08 -0.92 -2.77 114.38 118.61 1syr h ARG 43 Ca 0.20 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1syr h ARG 43 Cb 0.23 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1syr h ARG 43 CO -0.01 0.56 -0.32 1.51 -1.07 0.00 0.00 179.97 180.63 1syr n ILE 44 N -4.69 0.13 -0.13 2.04 3.06 -0.96 -4.32 119.36 114.50 1syr n ILE 44 Ca 0.14 -0.08 -0.05 0.00 -2.50 0.00 0.00 62.75 60.26 1syr n ILE 44 Cb 0.27 -0.14 0.02 0.00 0.54 0.00 0.00 39.64 40.33 1syr n ILE 44 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1syr h ALA 45 N 2.85 0.18 -0.76 1.51 0.00 -1.29 -2.01 119.26 119.74 1syr h ALA 45 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1syr h ALA 45 Cb 0.57 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1syr h ALA 45 CO 0.00 -0.52 0.50 -1.35 0.00 0.00 0.00 179.25 177.88 1syr h PRO 46 N -0.08 0.74 -0.01 0.00 0.11 -1.78 0.52 132.00 131.50 1syr h PRO 46 Ca 0.21 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 66.04 1syr h PRO 46 Cb 0.40 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.35 1syr h PRO 46 CO -0.48 0.49 -0.95 0.35 -0.21 0.00 0.00 178.00 177.20 1syr h PHE 47 N 0.76 0.73 -0.32 0.65 3.57 -1.70 0.15 116.94 120.78 1syr h PHE 47 Ca 0.34 -0.39 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1syr h PHE 47 Cb 0.33 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1syr h PHE 47 CO -0.00 1.21 0.12 -0.92 -2.23 0.00 0.00 178.31 176.49 1syr h TYR 48 N 0.29 0.51 -0.69 0.41 3.20 -0.86 -0.29 116.97 119.53 1syr h TYR 48 Ca -0.09 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.74 1syr h TYR 48 Cb 1.58 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.67 1syr h TYR 48 CO 0.07 0.50 0.45 1.49 -1.64 0.00 0.00 178.16 179.03 1syr h GLU 49 N 0.37 0.91 -0.21 1.82 4.57 -0.78 -2.22 114.58 119.04 1syr h GLU 49 Ca 0.11 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1syr h GLU 49 Cb 0.22 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1syr h GLU 49 CO -0.01 0.61 0.09 1.49 -1.18 0.00 0.00 179.01 180.01 1syr h GLU 50 N 0.93 0.31 -0.44 1.92 4.57 -0.79 -2.73 114.58 118.36 1syr h GLU 50 Ca 0.25 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.41 1syr h GLU 50 Cb -0.10 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 1syr h GLU 50 CO -0.05 0.36 0.29 0.00 -1.18 0.00 0.00 179.01 178.42 1syr h SER 52 N 0.50 0.00 0.99 0.00 4.64 -1.08 -0.34 113.55 118.26 1syr h SER 52 Ca 0.18 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 1syr h SER 52 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1syr h SER 52 CO -0.04 0.19 -0.33 0.11 -0.87 0.00 0.00 176.83 175.88 1syr h LYS 53 N 0.00 0.00 0.00 4.77 1.57 -1.30 -3.39 116.57 118.22 1syr h LYS 53 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1syr h LYS 53 Cb 0.35 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1syr h LYS 53 CO 0.02 0.33 -1.81 -2.37 -0.57 0.00 0.00 179.45 175.06 1syr n THR 54 N -3.42 0.82 -2.11 -0.16 5.66 -0.94 -4.70 114.28 109.43 1syr n THR 54 Ca 0.00 -0.20 -0.42 0.00 -3.05 0.00 0.00 64.05 60.39 1syr n THR 54 Cb 0.52 -1.71 -0.01 0.00 -1.55 0.00 0.00 70.33 67.58 1syr n THR 54 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1syr n TYR 55 N -3.67 3.89 0.58 1.09 4.01 -0.18 -4.73 117.16 118.15 1syr n TYR 55 Ca -0.29 -2.73 0.10 0.00 -0.16 0.00 0.00 57.90 54.82 1syr n TYR 55 Cb 0.70 -2.54 0.41 0.00 -0.31 0.00 0.00 39.34 37.60 1syr n TYR 55 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1syr n THR 56 N 5.95 0.75 0.64 -0.72 5.66 -1.26 -3.36 114.28 121.94 1syr n THR 56 Ca 0.50 0.16 0.08 0.00 -3.05 0.00 0.00 64.05 61.74 1syr n THR 56 Cb 0.43 -0.92 0.37 0.00 -1.55 0.00 0.00 70.33 68.67 1syr n THR 56 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1syr n LYS 57 N -1.73 0.08 -3.97 1.09 5.02 -1.26 -4.74 118.16 112.66 1syr n LYS 57 Ca 0.04 0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 56.39 1syr n LYS 57 Cb 0.23 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.61 1syr n LYS 57 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1syr s MET 58 N -2.85 0.18 -0.06 1.97 0.00 -1.21 -4.97 119.30 112.36 1syr s MET 58 Ca 0.11 -0.18 -0.19 0.00 0.00 0.00 0.00 55.69 55.43 1syr s MET 58 Cb 0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 34.83 34.79 1syr s MET 58 CO 0.28 0.02 0.52 0.14 0.00 0.00 0.00 175.02 175.98 1syr s VAL 59 N -0.32 5.06 -0.24 10.11 -7.23 -1.26 -4.93 120.40 121.59 1syr s VAL 59 Ca -0.02 1.06 -0.13 0.00 -1.81 0.00 0.00 61.98 61.08 1syr s VAL 59 Cb -0.02 -3.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.02 1syr s VAL 59 CO -0.00 0.39 0.27 -0.36 -0.31 0.00 0.00 175.10 175.09 1syr s PHE 60 N 0.08 3.32 0.23 2.82 0.40 -1.26 -1.24 117.98 122.32 1syr s PHE 60 Ca 0.28 0.37 0.11 0.00 -0.60 0.00 0.00 56.93 57.09 1syr s PHE 60 Cb -0.17 -2.40 -0.05 0.00 0.51 0.00 0.00 43.02 40.91 1syr s PHE 60 CO 0.14 -0.02 -0.21 0.96 0.70 0.00 0.00 175.22 176.79 1syr s ILE 61 N 1.35 2.28 -0.10 0.64 -4.36 0.13 -3.92 121.20 117.22 1syr s ILE 61 Ca 0.12 -2.19 0.04 0.00 -0.26 0.00 0.00 60.65 58.36 1syr s ILE 61 Cb -0.14 -2.15 0.00 0.00 1.25 0.00 0.00 42.46 41.41 1syr s ILE 61 CO 0.07 -0.30 -0.23 -0.54 0.24 0.00 0.00 174.94 174.18 1syr s LYS 62 N -3.12 2.92 -0.15 0.37 1.02 0.42 -1.23 119.74 119.96 1syr s LYS 62 Ca 0.24 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.41 1syr s LYS 62 Cb -0.06 -2.22 0.01 0.00 -0.52 0.00 0.00 37.83 35.04 1syr s LYS 62 CO 0.11 0.16 -0.19 0.08 -0.92 0.00 0.00 175.35 174.59 1syr s VAL 63 N 0.38 2.31 -0.38 3.17 1.01 -0.15 -1.67 120.40 125.08 1syr s VAL 63 Ca -0.18 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.64 1syr s VAL 63 Cb -0.18 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1syr s VAL 63 CO 0.08 0.53 0.95 -0.62 0.00 0.00 0.00 175.10 176.05 1syr s ASP 64 N 0.83 6.68 0.59 3.32 -1.08 -1.26 -0.61 116.67 125.15 1syr s ASP 64 Ca -0.06 0.58 0.29 0.00 -0.52 0.00 0.00 52.55 52.84 1syr s ASP 64 Cb -0.15 -2.48 1.55 0.00 -1.46 0.00 0.00 42.92 40.38 1syr s ASP 64 CO -0.02 -0.90 1.98 -0.37 0.52 0.00 0.00 175.17 176.38 1syr h VAL 65 N 5.86 0.40 0.01 1.11 -1.51 -1.41 -0.40 116.25 120.31 1syr h VAL 65 Ca -0.23 0.00 -0.33 0.00 -1.23 0.00 0.00 66.70 64.91 1syr h VAL 65 Cb 1.08 0.71 -0.06 0.00 -2.13 0.00 0.00 31.29 30.89 1syr h VAL 65 CO 1.00 0.00 -2.02 0.47 -1.23 0.00 0.00 177.57 175.79 1syr n ASP 66 N -3.74 0.77 -0.07 4.19 8.00 -1.26 -2.96 116.55 121.48 1syr n ASP 66 Ca 0.05 0.22 -0.04 0.00 0.71 0.00 0.00 54.79 55.73 1syr n ASP 66 Cb 0.52 0.20 0.17 0.00 -0.02 0.00 0.00 41.12 41.99 1syr n ASP 66 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1syr h GLU 67 N 0.01 0.71 -2.06 -1.24 4.81 -1.60 -3.29 114.58 111.92 1syr h GLU 67 Ca -0.41 -0.21 -0.55 0.00 -0.13 0.00 0.00 59.36 58.05 1syr h GLU 67 Cb 2.09 -0.07 -0.41 0.00 0.63 0.00 0.00 28.75 30.99 1syr h GLU 67 CO 0.05 0.78 -0.80 0.28 -0.73 0.00 0.00 179.01 178.59 1syr n VAL 68 N -4.19 2.17 -0.28 0.32 0.31 -0.29 -4.89 118.33 111.49 1syr n VAL 68 Ca 0.01 -5.16 0.19 0.00 -0.01 0.00 0.00 64.34 59.38 1syr n VAL 68 Cb 0.34 -1.03 0.48 0.00 -0.91 0.00 0.00 33.84 32.72 1syr n VAL 68 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1syr h SER 69 N 2.93 0.48 -0.99 4.52 4.64 -1.61 0.72 113.55 124.24 1syr h SER 69 Ca 0.13 0.06 0.19 0.00 -0.47 0.00 0.00 61.79 61.71 1syr h SER 69 Cb 0.69 -0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 62.66 1syr h SER 69 CO 0.74 0.17 0.61 -0.33 -0.87 0.00 0.00 176.83 177.15 1syr h GLU 70 N 0.46 0.69 0.04 4.77 3.07 -1.90 -0.28 114.58 121.44 1syr h GLU 70 Ca 0.51 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1syr h GLU 70 Cb 1.20 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 1syr h GLU 70 CO -0.23 0.46 -0.02 0.28 -1.40 0.00 0.00 179.01 178.09 1syr h VAL 71 N 0.71 1.33 -0.29 3.13 2.07 -1.25 -3.18 116.25 118.77 1syr h VAL 71 Ca 0.56 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1syr h VAL 71 Cb 0.95 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 1syr h VAL 71 CO -0.35 0.38 0.13 0.71 0.02 0.00 0.00 177.57 178.47 1syr h THR 72 N -0.82 1.11 -0.29 2.57 1.35 -0.99 0.19 112.91 116.03 1syr h THR 72 Ca -0.01 -0.33 -0.18 0.00 -0.55 0.00 0.00 66.41 65.35 1syr h THR 72 Cb 0.67 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1syr h THR 72 CO 0.01 0.13 -0.52 -0.33 -0.25 0.00 0.00 175.52 174.55 1syr h GLU 73 N 0.40 0.86 -0.85 4.72 4.39 -1.21 -2.16 114.58 120.74 1syr h GLU 73 Ca 0.10 -0.54 -0.03 0.00 0.34 0.00 0.00 59.36 59.23 1syr h GLU 73 Cb 0.07 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 1syr h GLU 73 CO -0.01 1.18 0.42 0.87 -1.16 0.00 0.00 179.01 180.31 1syr h LYS 74 N 0.65 1.21 -0.00 2.33 1.57 -1.26 -3.07 116.57 117.99 1syr h LYS 74 Ca 0.02 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1syr h LYS 74 Cb 1.13 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1syr h LYS 74 CO 0.12 0.92 -0.03 0.39 -0.57 0.00 0.00 179.45 180.28 1syr n GLU 75 N -4.33 1.06 -3.59 3.15 -0.58 0.56 -4.96 120.64 111.95 1syr n GLU 75 Ca 0.08 -0.30 -0.21 0.00 -0.42 0.00 0.00 57.16 56.31 1syr n GLU 75 Cb 0.13 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.52 1syr n GLU 75 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1syr n ASN 76 N -0.71 -5.72 -4.49 1.62 5.15 -0.83 -4.95 115.26 105.34 1syr n ASN 76 Ca 0.20 -0.77 -0.43 0.00 -0.60 0.00 0.00 54.58 52.99 1syr n ASN 76 Cb 0.22 -3.07 -0.09 0.00 -0.53 0.00 0.00 39.78 36.30 1syr n ASN 76 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1syr s ILE 77 N -3.15 5.14 -0.19 -1.44 -1.09 -1.08 -4.95 121.20 114.44 1syr s ILE 77 Ca 0.16 -0.38 -0.15 0.00 -2.23 0.00 0.00 60.65 58.05 1syr s ILE 77 Cb -0.06 -3.98 -0.08 0.00 -1.58 0.00 0.00 42.46 36.75 1syr s ILE 77 CO 0.85 -0.35 -0.21 0.35 -1.23 0.00 0.00 174.94 174.35 1syr n THR 78 N 5.34 1.49 -3.71 2.92 -2.24 -1.26 -4.99 114.28 111.83 1syr n THR 78 Ca -0.08 0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.52 1syr n THR 78 Cb 0.48 -2.22 -0.01 0.00 -2.10 0.00 0.00 70.33 66.47 1syr n THR 78 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1syr s SER 79 N -6.32 6.20 -0.10 3.42 0.15 -1.26 -5.11 113.70 110.67 1syr s SER 79 Ca -0.27 0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.45 1syr s SER 79 Cb 0.06 -1.69 0.02 0.00 -1.71 0.00 0.00 66.02 62.69 1syr s SER 79 CO 0.40 -0.23 -0.11 -0.32 1.20 0.00 0.00 173.24 174.18 1syr s MET 80 N -4.10 1.80 0.81 5.44 1.75 -1.26 -3.78 119.30 119.95 1syr s MET 80 Ca 0.38 -0.40 -0.09 0.00 -1.25 0.00 0.00 55.69 54.33 1syr s MET 80 Cb -0.09 -1.63 0.12 0.00 2.84 0.00 0.00 34.83 36.07 1syr s MET 80 CO 0.31 -0.11 1.14 -1.25 -0.65 0.00 0.00 175.02 174.46 1syr s PRO 81 N 1.14 1.54 -0.04 4.11 0.04 -1.26 -4.70 135.00 135.84 1syr s PRO 81 Ca -0.05 -0.41 0.03 0.00 0.04 0.00 0.00 61.00 60.61 1syr s PRO 81 Cb -0.14 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.34 1syr s PRO 81 CO -0.03 -1.72 -0.11 0.99 0.04 0.00 0.00 177.00 176.17 1syr s THR 82 N -3.49 0.93 -0.24 1.26 2.01 -1.19 -1.90 115.64 113.02 1syr s THR 82 Ca 0.66 -0.42 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 1syr s THR 82 Cb -0.07 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.59 1syr s THR 82 CO 0.48 0.29 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.34 1syr s PHE 83 N 0.31 3.03 -0.08 4.92 0.08 -0.66 -0.68 117.98 124.90 1syr s PHE 83 Ca -0.06 -0.92 0.02 0.00 0.12 0.00 0.00 56.93 56.09 1syr s PHE 83 Cb -0.11 -2.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.17 1syr s PHE 83 CO 0.01 -0.54 -0.13 0.15 -0.10 0.00 0.00 175.22 174.62 1syr s LYS 84 N 1.49 2.81 -0.10 0.44 -0.14 -0.31 -0.58 119.74 123.35 1syr s LYS 84 Ca 0.05 -0.67 -0.02 0.00 -1.36 0.00 0.00 55.97 53.97 1syr s LYS 84 Cb -0.15 -2.49 -0.03 0.00 -1.68 0.00 0.00 37.83 33.48 1syr s LYS 84 CO -0.01 0.51 -0.03 0.14 -0.76 0.00 0.00 175.35 175.20 1syr s VAL 85 N -0.42 4.04 -0.09 3.17 -7.23 -0.27 -0.69 120.40 118.91 1syr s VAL 85 Ca 0.05 -0.34 0.03 0.00 -1.81 0.00 0.00 61.98 59.91 1syr s VAL 85 Cb -0.12 -2.71 0.01 0.00 0.56 0.00 0.00 36.38 34.12 1syr s VAL 85 CO 0.02 0.57 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.89 1syr s TYR 86 N -0.49 2.06 0.08 2.82 1.51 0.86 -0.91 117.35 123.27 1syr s TYR 86 Ca 0.08 -0.87 0.09 0.00 -1.01 0.00 0.00 57.07 55.36 1syr s TYR 86 Cb -0.12 -1.43 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 1syr s TYR 86 CO 0.02 -0.40 -0.23 0.21 -1.11 0.00 0.00 175.55 174.04 1syr s LYS 87 N 0.63 1.39 0.00 -0.62 2.20 -0.88 0.43 119.74 122.89 1syr s LYS 87 Ca -0.14 -1.10 0.00 0.00 -0.36 0.00 0.00 55.97 54.37 1syr s LYS 87 Cb -0.16 -1.63 0.00 0.00 -1.51 0.00 0.00 37.83 34.53 1syr s LYS 87 CO 0.04 0.40 0.00 0.09 -0.36 0.00 0.00 175.35 175.52 1syr n ASN 88 N 1.46 -3.03 0.00 1.43 4.13 -1.26 -0.57 115.26 117.43 1syr n ASN 88 Ca -0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.08 1syr n ASN 88 Cb 0.53 -2.43 0.00 0.00 -1.54 0.00 0.00 39.78 36.34 1syr n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1syr n GLY 89 N -0.81 0.77 3.37 7.41 0.00 -1.26 -5.08 105.19 109.60 1syr n GLY 89 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1syr n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1syr s SER 90 N -2.26 3.04 -0.20 1.61 0.01 0.27 -5.09 113.70 111.08 1syr s SER 90 Ca 0.00 -0.84 -0.29 0.00 1.31 0.00 0.00 55.95 56.13 1syr s SER 90 Cb 0.00 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 1syr s SER 90 CO 0.00 0.06 1.49 -0.55 0.41 0.00 0.00 173.24 174.65 1syr s SER 91 N -2.55 6.59 -0.13 2.44 0.15 -1.26 -2.06 113.70 116.88 1syr s SER 91 Ca 0.17 1.65 -0.13 0.00 0.70 0.00 0.00 55.95 58.33 1syr s SER 91 Cb -0.07 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.65 1syr s SER 91 CO 0.08 -1.08 -0.27 0.52 1.20 0.00 0.00 173.24 173.69 1syr n VAL 92 N 6.03 1.41 -4.29 4.45 0.31 -0.09 -4.98 118.33 121.18 1syr n VAL 92 Ca 0.17 0.15 -0.20 0.00 -0.01 0.00 0.00 64.34 64.45 1syr n VAL 92 Cb 0.45 -2.13 -0.11 0.00 -0.91 0.00 0.00 33.84 31.14 1syr n VAL 92 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1syr s ASP 93 N -6.04 2.37 -0.06 4.52 -1.08 -1.17 -5.01 116.67 110.20 1syr s ASP 93 Ca -0.23 -0.84 -0.03 0.00 -0.52 0.00 0.00 52.55 50.93 1syr s ASP 93 Cb 0.04 -0.12 0.03 0.00 -1.46 0.00 0.00 42.92 41.41 1syr s ASP 93 CO 0.33 -0.09 0.14 0.28 0.52 0.00 0.00 175.17 176.35 1syr s THR 94 N -2.11 -0.03 -0.15 1.71 -1.32 -1.26 -1.11 115.64 111.37 1syr s THR 94 Ca 0.13 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1syr s THR 94 Cb -0.05 -0.22 0.02 0.00 -1.51 0.00 0.00 72.50 70.75 1syr s THR 94 CO 0.05 0.05 -0.13 -0.22 -2.21 0.00 0.00 174.62 172.16 1syr s LEU 95 N 0.76 1.67 0.10 9.08 2.96 0.25 -4.98 118.68 128.52 1syr s LEU 95 Ca -0.06 -0.50 -0.24 0.00 -0.22 0.00 0.00 54.13 53.12 1syr s LEU 95 Cb -0.08 -1.14 -0.07 0.00 0.50 0.00 0.00 46.19 45.41 1syr s LEU 95 CO -0.04 -0.07 0.72 -0.76 -1.32 0.00 0.00 176.35 174.88 1syr s LEU 96 N 1.51 4.52 0.00 -0.68 1.43 -1.26 -1.65 118.68 122.55 1syr s LEU 96 Ca 0.04 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1syr s LEU 96 Cb -0.13 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1syr s LEU 96 CO -0.10 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.24 1syr n GLY 97 N 1.93 -0.04 2.74 -3.19 0.00 -0.80 -4.85 105.19 100.99 1syr n GLY 97 Ca -0.06 -1.83 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 1syr n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1syr n ALA 98 N 0.24 4.62 -2.87 4.61 0.00 -1.26 -4.67 120.51 121.17 1syr n ALA 98 Ca 0.00 -4.73 -0.37 0.00 0.00 0.00 0.00 53.44 48.34 1syr n ALA 98 Cb 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 1syr n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1syr s ASN 99 N -2.89 5.50 0.15 0.00 3.84 -1.26 -4.92 114.94 115.36 1syr s ASN 99 Ca 0.44 -0.10 -0.19 0.00 0.21 0.00 0.00 52.86 53.22 1syr s ASN 99 Cb 0.22 -1.99 0.03 0.00 -0.55 0.00 0.00 41.25 38.95 1syr s ASN 99 CO -0.08 -0.01 1.68 0.44 -2.79 0.00 0.00 177.10 176.34 1syr h ASP 100 N 8.04 -0.33 -0.86 -4.21 5.19 -1.99 -0.29 116.42 121.97 1syr h ASP 100 Ca -0.37 0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.11 1syr h ASP 100 Cb 1.18 0.20 -0.04 0.00 0.18 0.00 0.00 39.33 40.85 1syr h ASP 100 CO 0.59 -0.12 0.44 -1.28 -3.12 0.00 0.00 179.24 175.74 1syr h SER 101 N -0.04 1.10 -0.30 6.45 0.87 -1.99 -0.17 113.55 119.48 1syr h SER 101 Ca 0.14 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1syr h SER 101 Cb 0.25 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1syr h SER 101 CO -0.31 0.91 0.07 0.00 -0.53 0.00 0.00 176.83 176.97 1syr h ALA 102 N 1.24 0.39 -0.74 6.23 0.00 -1.80 -2.24 119.26 122.34 1syr h ALA 102 Ca 0.30 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1syr h ALA 102 Cb 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1syr h ALA 102 CO -0.04 0.05 0.23 1.25 0.00 0.00 0.00 179.25 180.74 1syr h LEU 103 N 0.31 1.08 -1.00 0.00 5.85 -0.75 -1.80 115.31 119.01 1syr h LEU 103 Ca 0.09 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1syr h LEU 103 Cb 0.30 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1syr h LEU 103 CO 0.00 1.00 0.50 0.50 -0.34 0.00 0.00 178.44 180.11 1syr h LYS 104 N 1.11 1.20 -0.56 1.25 3.64 -0.89 -1.42 116.57 120.89 1syr h LYS 104 Ca 0.24 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1syr h LYS 104 Cb 0.31 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1syr h LYS 104 CO -0.01 0.85 0.13 1.96 -2.27 0.00 0.00 179.45 180.12 1syr h GLN 105 N 1.21 0.91 -0.61 1.90 4.20 -0.89 0.36 115.11 122.19 1syr h GLN 105 Ca 0.31 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1syr h GLN 105 Cb -0.02 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1syr h GLN 105 CO -0.05 0.85 0.38 1.25 -0.67 0.00 0.00 178.83 180.58 1syr h LEU 106 N 0.81 0.73 -0.28 1.46 5.85 -0.80 -1.98 115.31 121.10 1syr h LEU 106 Ca 0.18 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1syr h LEU 106 Cb 0.36 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1syr h LEU 106 CO 0.00 0.56 0.05 0.40 -0.34 0.00 0.00 178.44 179.12 1syr h ILE 107 N 0.83 1.23 -0.81 4.05 2.04 -1.06 -3.14 117.51 120.65 1syr h ILE 107 Ca 0.22 -0.77 0.13 0.00 1.00 0.00 0.00 64.86 65.44 1syr h ILE 107 Cb -0.04 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1syr h ILE 107 CO -0.04 0.25 0.53 -0.08 0.00 0.00 0.00 178.15 178.81 1syr h GLU 108 N 0.29 0.58 -0.11 2.37 4.57 -0.64 -0.74 114.58 120.90 1syr h GLU 108 Ca 0.09 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1syr h GLU 108 Cb 0.33 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1syr h GLU 108 CO 0.00 0.38 0.13 -0.22 -1.18 0.00 0.00 179.01 178.13 1syr h LYS 109 N 0.59 0.00 0.00 1.92 3.64 -1.31 -3.23 116.57 118.18 1syr h LYS 109 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1syr h LYS 109 Cb 0.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1syr h LYS 109 CO -0.15 0.00 -0.96 0.66 -2.27 0.00 0.00 179.45 176.73 1syr n TYR 110 N -3.76 0.00 -0.39 1.91 4.01 -0.71 -5.14 117.16 113.08 1syr n TYR 110 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1syr n TYR 110 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1syr n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40