#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1syr s LYS 11 N 0.00 4.23 -0.30 1.45 2.20 -1.25 -4.79 119.74 121.28 1syr s LYS 11 Ca 0.00 2.25 -0.15 0.00 -0.36 0.00 0.00 55.97 57.71 1syr s LYS 11 Cb 0.00 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 1syr s LYS 11 CO 0.00 -0.66 0.38 0.42 -0.36 0.00 0.00 175.35 175.13 1syr s ILE 12 N 2.19 5.16 0.11 5.43 1.01 -1.26 -0.63 121.20 133.21 1syr s ILE 12 Ca 0.71 0.38 -0.24 0.00 0.00 0.00 0.00 60.65 61.50 1syr s ILE 12 Cb -0.39 -3.75 -0.07 0.00 0.01 0.00 0.00 42.46 38.26 1syr s ILE 12 CO 0.31 0.05 0.73 -0.69 0.00 0.00 0.00 174.94 175.34 1syr s VAL 13 N 2.07 4.56 -0.10 2.92 1.01 0.33 -4.94 120.40 126.25 1syr s VAL 13 Ca 0.14 1.57 0.01 0.00 0.00 0.00 0.00 61.98 63.70 1syr s VAL 13 Cb -0.16 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.16 1syr s VAL 13 CO 0.11 0.48 0.66 0.35 0.00 0.00 0.00 175.10 176.70 1syr n THR 14 N 2.00 0.28 -3.60 3.92 -2.24 -1.26 -4.54 114.28 108.82 1syr n THR 14 Ca -0.06 -0.64 -0.14 0.00 -2.27 0.00 0.00 64.05 60.95 1syr n THR 14 Cb 0.50 0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 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 -0.33 -0.39 0.06 3.42 1.04 -1.26 -4.85 113.70 111.39 1syr s SER 15 Ca 0.01 0.13 -0.23 0.00 0.48 0.00 0.00 55.95 56.34 1syr s SER 15 Cb 0.01 0.47 -0.14 0.00 0.10 0.00 0.00 66.02 66.46 1syr s SER 15 CO 0.01 -0.70 1.57 -0.61 0.98 0.00 0.00 173.24 174.50 1syr h GLN 16 N 2.87 0.11 -0.68 4.02 4.15 -1.96 -1.71 115.11 121.91 1syr h GLN 16 Ca -0.31 -0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.26 1syr h GLN 16 Cb 1.21 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.85 1syr h GLN 16 CO 0.42 0.27 0.47 0.00 -1.93 0.00 0.00 178.83 178.05 1syr h ALA 17 N 0.84 2.38 0.03 3.38 0.00 -1.98 0.13 119.26 124.03 1syr h ALA 17 Ca 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1syr h ALA 17 Cb 0.20 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1syr h ALA 17 CO -0.00 -0.57 -0.69 1.49 0.00 0.00 0.00 179.25 179.48 1syr h GLU 18 N 0.18 0.41 -0.45 0.00 4.81 -1.90 -2.42 114.58 115.21 1syr h GLU 18 Ca 0.33 -0.48 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1syr h GLU 18 Cb 1.04 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1syr h GLU 18 CO -0.06 1.15 0.29 0.35 -0.73 0.00 0.00 179.01 180.02 1syr h PHE 19 N -0.11 0.55 -0.64 0.92 3.57 -0.49 -0.56 116.94 120.18 1syr h PHE 19 Ca -0.09 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.35 1syr h PHE 19 Cb 1.41 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.94 1syr h PHE 19 CO 0.15 0.34 0.13 -0.44 -2.23 0.00 0.00 178.31 176.27 1syr h ASP 20 N 0.60 0.99 -0.15 0.41 5.19 -0.87 -2.39 116.42 120.20 1syr h ASP 20 Ca 0.17 -0.25 -0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1syr h ASP 20 Cb -0.05 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.19 1syr h ASP 20 CO -0.05 0.98 0.08 0.28 -3.12 0.00 0.00 179.24 177.41 1syr h SER 21 N 0.96 0.18 -0.43 6.45 0.02 -1.02 -1.31 113.55 118.40 1syr h SER 21 Ca 0.20 -0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 1syr h SER 21 Cb 0.39 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1syr h SER 21 CO 0.01 0.22 -0.21 0.40 -1.14 0.00 0.00 176.83 176.11 1syr h ILE 22 N 0.14 1.27 -0.46 3.27 2.04 -0.99 -2.06 117.51 120.72 1syr h ILE 22 Ca 0.05 -1.36 -0.10 0.00 1.00 0.00 0.00 64.86 64.45 1syr h ILE 22 Cb 0.07 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1syr h ILE 22 CO -0.01 0.47 -0.11 0.40 0.00 0.00 0.00 178.15 178.89 1syr h ILE 23 N 0.82 1.26 1.00 -0.67 2.04 -1.44 -3.23 117.51 117.29 1syr h ILE 23 Ca 0.11 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 1syr h ILE 23 Cb 0.77 1.03 0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1syr h ILE 23 CO 0.06 0.41 -0.48 -1.28 0.00 0.00 0.00 178.15 176.86 1syr h SER 24 N 0.75 -1.14 -0.70 1.72 0.87 -0.97 -3.30 113.55 110.79 1syr h SER 24 Ca 0.12 0.04 -0.46 0.00 -1.23 0.00 0.00 61.79 60.26 1syr h SER 24 Cb 0.62 0.30 -0.20 0.00 -0.44 0.00 0.00 62.40 62.67 1syr h SER 24 CO 0.04 -0.81 0.60 0.00 -0.53 0.00 0.00 176.83 176.13 1syr n GLN 25 N -5.67 2.15 -3.75 2.24 10.64 -0.80 -4.75 117.38 117.44 1syr n GLN 25 Ca -0.17 -2.28 -0.12 0.00 -1.83 0.00 0.00 57.00 52.59 1syr n GLN 25 Cb 0.53 -1.90 -0.12 0.00 -0.86 0.00 0.00 30.24 27.89 1syr n GLN 25 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1syr s ASN 26 N -0.68 -0.27 0.14 2.61 0.01 -1.22 -5.02 114.94 110.51 1syr s ASN 26 Ca 0.45 0.53 -0.13 0.00 -0.71 0.00 0.00 52.86 53.00 1syr s ASN 26 Cb 0.36 0.47 0.00 0.00 0.41 0.00 0.00 41.25 42.48 1syr s ASN 26 CO 0.00 -0.13 1.59 -0.33 -1.51 0.00 0.00 177.10 176.72 1syr h GLU 27 N 6.55 0.81 -4.23 -0.60 4.39 -1.87 -3.39 114.58 116.24 1syr h GLU 27 Ca -0.34 -0.26 -0.50 0.00 0.34 0.00 0.00 59.36 58.60 1syr h GLU 27 Cb 1.17 -0.07 -0.36 0.00 -0.10 0.00 0.00 28.75 29.39 1syr h GLU 27 CO 0.36 0.86 -0.80 -0.51 -1.16 0.00 0.00 179.01 177.77 1syr s LEU 28 N -9.40 1.25 -0.04 1.33 1.43 -1.26 -2.28 118.68 109.71 1syr s LEU 28 Ca -0.13 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1syr s LEU 28 Cb 0.11 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.60 1syr s LEU 28 CO 0.81 -0.08 -0.04 -0.69 0.23 0.00 0.00 176.35 176.57 1syr s VAL 29 N 1.39 0.52 -0.11 -1.59 1.01 -0.66 -2.07 120.40 118.89 1syr s VAL 29 Ca -0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 1syr s VAL 29 Cb -0.14 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1syr s VAL 29 CO -0.04 0.22 0.09 0.27 0.00 0.00 0.00 175.10 175.64 1syr s ILE 30 N 0.87 5.05 -0.10 2.22 -4.36 -0.18 -0.26 121.20 124.44 1syr s ILE 30 Ca -0.12 0.04 0.03 0.00 -0.26 0.00 0.00 60.65 60.34 1syr s ILE 30 Cb -0.14 -3.18 -0.00 0.00 1.25 0.00 0.00 42.46 40.38 1syr s ILE 30 CO 0.00 0.61 -0.21 0.54 0.24 0.00 0.00 174.94 176.12 1syr s VAL 31 N -0.94 2.32 -0.52 8.37 0.11 0.21 -0.83 120.40 129.12 1syr s VAL 31 Ca 0.14 -0.93 -0.18 0.00 -2.93 0.00 0.00 61.98 58.08 1syr s VAL 31 Cb -0.12 -1.91 0.07 0.00 -1.53 0.00 0.00 36.38 32.90 1syr s VAL 31 CO 0.03 0.55 0.59 -0.62 -3.33 0.00 0.00 175.10 172.32 1syr s ASP 32 N 0.28 6.20 -0.42 3.54 2.15 0.17 -1.98 116.67 126.61 1syr s ASP 32 Ca -0.15 -1.14 -0.29 0.00 0.43 0.00 0.00 52.55 51.39 1syr s ASP 32 Cb -0.17 -2.27 0.02 0.00 -0.30 0.00 0.00 42.92 40.20 1syr s ASP 32 CO 0.08 -0.88 1.29 -0.36 -0.17 0.00 0.00 175.17 175.12 1syr s PHE 33 N 2.39 2.61 0.43 -5.34 0.08 -0.61 -1.25 117.98 116.29 1syr s PHE 33 Ca 0.11 0.73 0.02 0.00 0.12 0.00 0.00 56.93 57.91 1syr s PHE 33 Cb -0.22 -4.30 -0.01 0.00 -0.57 0.00 0.00 43.02 37.93 1syr s PHE 33 CO 0.09 -1.65 0.06 1.97 -0.10 0.00 0.00 175.22 175.60 1syr n PHE 34 N 8.27 0.65 -3.61 0.36 -1.74 0.18 -2.96 117.46 118.61 1syr n PHE 34 Ca 0.14 -2.36 -0.11 0.00 -0.56 0.00 0.00 57.45 54.56 1syr n PHE 34 Cb 0.48 -0.17 -0.06 0.00 1.52 0.00 0.00 39.48 41.25 1syr n PHE 34 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1syr s ALA 35 N -2.90 -1.91 -0.09 1.98 0.00 -1.26 0.21 121.76 117.78 1syr s ALA 35 Ca 0.09 1.78 0.31 0.00 0.00 0.00 0.00 51.96 54.13 1syr s ALA 35 Cb 0.00 -1.09 1.18 0.00 0.00 0.00 0.00 23.12 23.22 1syr s ALA 35 CO 0.06 -0.28 1.89 0.93 0.00 0.00 0.00 175.76 178.36 1syr h GLU 36 N 3.81 0.00 -0.00 0.00 4.39 -2.00 -1.45 114.58 119.33 1syr h GLU 36 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1syr h GLU 36 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1syr h GLU 36 CO 0.17 0.00 -0.00 -2.67 -1.16 0.00 0.00 179.01 175.35 1syr n TRP 37 N -2.90 0.00 -3.75 4.33 4.27 -1.26 -4.80 117.44 113.34 1syr n TRP 37 Ca 0.01 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.25 1syr n TRP 37 Cb 0.31 -0.01 -0.12 0.00 -1.36 0.00 0.00 31.31 30.13 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 8.19 -0.40 -0.15 0.00 0.00 -1.87 -2.36 103.07 106.49 1syr h GLY 39 Ca -0.21 0.38 0.14 0.00 0.00 0.00 0.00 47.33 47.64 1syr h GLY 39 CO 0.64 -0.22 -0.00 -2.55 0.00 0.00 0.00 176.54 174.41 1syr h PRO 40 N -0.37 0.11 -0.99 4.80 0.11 -1.94 -1.24 132.00 132.48 1syr h PRO 40 Ca 0.10 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.29 1syr h PRO 40 Cb 0.53 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.55 1syr h PRO 40 CO -0.36 0.07 0.63 0.00 -0.21 0.00 0.00 178.00 178.13 1syr h LYS 42 N 1.09 0.86 -0.01 0.00 1.57 -0.87 -2.84 116.57 116.37 1syr h LYS 42 Ca 0.45 -0.44 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1syr h LYS 42 Cb 0.27 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1syr h LYS 42 CO -0.20 1.08 -0.26 0.00 -0.57 0.00 0.00 179.45 179.49 1syr h ARG 43 N 0.70 0.02 -0.00 3.15 3.08 -0.61 -3.12 114.38 117.61 1syr h ARG 43 Ca 0.06 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1syr h ARG 43 Cb 0.94 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1syr h ARG 43 CO 0.09 0.28 -0.71 1.51 -1.07 0.00 0.00 179.97 180.07 1syr n ILE 44 N -4.22 0.00 -0.18 2.04 3.06 -0.93 -4.36 119.36 114.76 1syr n ILE 44 Ca -0.02 -0.05 -0.02 0.00 -2.50 0.00 0.00 62.75 60.16 1syr n ILE 44 Cb 0.32 0.77 0.18 0.00 0.54 0.00 0.00 39.64 41.45 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 3.19 1.25 -0.39 1.51 0.00 -1.43 -1.60 119.26 121.80 1syr h ALA 45 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1syr h ALA 45 Cb 0.54 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1syr h ALA 45 CO 0.00 0.55 0.11 -1.35 0.00 0.00 0.00 179.25 178.56 1syr h PRO 46 N 0.92 0.25 -0.31 0.00 0.11 -1.78 0.45 132.00 131.64 1syr h PRO 46 Ca 0.22 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 1syr h PRO 46 Cb 0.17 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 1syr h PRO 46 CO -0.02 0.16 0.18 0.35 -0.21 0.00 0.00 178.00 178.46 1syr h PHE 47 N 0.26 0.42 -0.76 0.65 3.57 -1.73 -1.18 116.94 118.17 1syr h PHE 47 Ca 0.18 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1syr h PHE 47 Cb 0.19 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1syr h PHE 47 CO -0.17 0.33 0.31 -0.92 -2.23 0.00 0.00 178.31 175.64 1syr h TYR 48 N 0.39 1.15 -0.56 0.41 3.20 -1.08 0.50 116.97 120.98 1syr h TYR 48 Ca 0.11 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1syr h TYR 48 Cb 0.05 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 37.95 1syr h TYR 48 CO -0.03 0.87 0.27 1.49 -1.64 0.00 0.00 178.16 179.12 1syr h GLU 49 N 1.09 0.81 -0.59 1.82 4.22 -0.73 -2.01 114.58 119.20 1syr h GLU 49 Ca 0.25 -0.12 -0.04 0.00 0.08 0.00 0.00 59.36 59.53 1syr h GLU 49 Cb 0.20 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1syr h GLU 49 CO -0.02 0.66 0.20 1.49 -2.18 0.00 0.00 179.01 179.16 1syr h GLU 50 N 0.76 0.90 -0.78 1.92 4.57 -0.68 -2.82 114.58 118.45 1syr h GLU 50 Ca 0.19 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1syr h GLU 50 Cb 0.12 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 1syr h GLU 50 CO -0.02 0.79 0.50 0.00 -1.18 0.00 0.00 179.01 179.10 1syr h SER 52 N 1.06 0.20 -0.05 0.00 4.64 -1.10 -1.17 113.55 117.13 1syr h SER 52 Ca 0.28 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.39 1syr h SER 52 Cb -0.09 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1syr h SER 52 CO -0.06 0.13 -0.79 0.11 -0.87 0.00 0.00 176.83 175.35 1syr h LYS 53 N 0.22 0.63 0.12 4.77 1.57 -1.46 -3.38 116.57 119.04 1syr h LYS 53 Ca 0.17 -0.60 -0.25 0.00 -1.87 0.00 0.00 60.65 58.09 1syr h LYS 53 Cb 0.37 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1syr h LYS 53 CO -0.03 1.21 -1.26 0.00 -0.57 0.00 0.00 179.45 178.80 1syr h THR 54 N 0.26 1.14 -0.67 -0.16 1.03 -1.50 -3.39 112.91 109.62 1syr h THR 54 Ca -0.08 -2.42 -0.73 0.00 -0.01 0.00 0.00 66.41 63.16 1syr h THR 54 Cb 1.45 2.81 -0.09 0.00 -1.07 0.00 0.00 68.15 71.25 1syr h THR 54 CO 0.16 0.69 2.65 -1.22 -0.01 0.00 0.00 175.52 177.79 1syr n TYR 55 N -3.99 3.16 0.27 0.00 4.01 -0.47 -4.75 117.16 115.40 1syr n TYR 55 Ca -0.23 -2.89 0.13 0.00 -0.16 0.00 0.00 57.90 54.76 1syr n TYR 55 Cb 0.87 -2.25 0.77 0.00 -0.31 0.00 0.00 39.34 38.42 1syr n TYR 55 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1syr h THR 56 N 3.77 0.56 0.00 -0.72 1.03 -1.78 -2.76 112.91 113.01 1syr h THR 56 Ca 0.51 -0.41 0.00 0.00 -0.01 0.00 0.00 66.41 66.50 1syr h THR 56 Cb 0.60 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.95 1syr h THR 56 CO 1.75 0.09 0.00 0.29 -0.01 0.00 0.00 175.52 177.64 1syr n LYS 57 N -3.69 0.14 -4.95 0.00 5.02 -1.26 -4.66 118.16 108.76 1syr n LYS 57 Ca -0.02 0.52 -0.27 0.00 -2.02 0.00 0.00 58.31 56.52 1syr n LYS 57 Cb 0.20 -1.86 -0.16 0.00 -0.02 0.00 0.00 35.03 33.19 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 -3.38 1.91 -0.01 1.97 1.75 -1.04 -4.69 119.30 115.80 1syr s MET 58 Ca 0.01 -0.69 -0.26 0.00 -1.25 0.00 0.00 55.69 53.49 1syr s MET 58 Cb 0.07 -1.68 -0.04 0.00 2.84 0.00 0.00 34.83 36.02 1syr s MET 58 CO 0.26 0.31 0.82 0.08 -0.65 0.00 0.00 175.02 175.85 1syr s VAL 59 N -0.11 4.88 -0.21 10.11 1.01 -0.88 -4.95 120.40 130.26 1syr s VAL 59 Ca -0.01 1.73 -0.06 0.00 0.00 0.00 0.00 61.98 63.63 1syr s VAL 59 Cb -0.11 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1syr s VAL 59 CO 0.02 0.25 0.03 -0.36 0.00 0.00 0.00 175.10 175.04 1syr s PHE 60 N 0.62 3.09 0.14 5.22 0.40 -1.26 -1.01 117.98 125.19 1syr s PHE 60 Ca 0.43 -0.33 0.06 0.00 -0.60 0.00 0.00 56.93 56.49 1syr s PHE 60 Cb -0.20 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 1syr s PHE 60 CO 0.23 -0.19 -0.13 0.96 0.70 0.00 0.00 175.22 176.80 1syr s ILE 61 N 1.05 1.33 -0.04 0.64 -4.36 -0.01 -3.96 121.20 115.85 1syr s ILE 61 Ca 0.03 -1.93 0.06 0.00 -0.26 0.00 0.00 60.65 58.55 1syr s ILE 61 Cb -0.14 -1.73 -0.02 0.00 1.25 0.00 0.00 42.46 41.82 1syr s ILE 61 CO 0.02 -0.57 -0.21 -0.54 0.24 0.00 0.00 174.94 173.88 1syr s LYS 62 N -3.23 2.42 -0.16 0.37 1.02 0.20 -0.65 119.74 119.70 1syr s LYS 62 Ca 0.14 -0.84 0.01 0.00 0.02 0.00 0.00 55.97 55.30 1syr s LYS 62 Cb -0.01 -2.21 0.02 0.00 -0.52 0.00 0.00 37.83 35.11 1syr s LYS 62 CO 0.03 0.51 -0.16 0.08 -0.92 0.00 0.00 175.35 174.89 1syr s VAL 63 N -0.48 1.75 -0.14 3.17 1.01 -0.38 -0.51 120.40 124.81 1syr s VAL 63 Ca 0.06 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 1syr s VAL 63 Cb -0.11 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1syr s VAL 63 CO 0.01 0.49 1.17 -0.62 0.00 0.00 0.00 175.10 176.15 1syr s ASP 64 N 1.41 7.04 0.47 3.32 -1.08 -1.26 -0.65 116.67 125.92 1syr s ASP 64 Ca 0.05 1.64 0.15 0.00 -0.52 0.00 0.00 52.55 53.87 1syr s ASP 64 Cb -0.13 -2.55 1.08 0.00 -1.46 0.00 0.00 42.92 39.87 1syr s ASP 64 CO -0.11 -0.66 2.03 -0.37 0.52 0.00 0.00 175.17 176.58 1syr h VAL 65 N 5.31 1.08 0.00 1.11 -1.51 -0.59 -1.55 116.25 120.10 1syr h VAL 65 Ca -0.27 -0.47 -0.23 0.00 -1.23 0.00 0.00 66.70 64.50 1syr h VAL 65 Cb 1.11 1.25 -0.04 0.00 -2.13 0.00 0.00 31.29 31.49 1syr h VAL 65 CO 0.94 0.13 -1.35 0.44 -1.23 0.00 0.00 177.57 176.50 1syr h ASP 66 N 0.00 0.00 0.47 4.19 3.32 -1.92 -2.60 116.42 119.88 1syr h ASP 66 Ca -0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1syr h ASP 66 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1syr h ASP 66 CO 0.02 0.88 -0.48 -0.08 -1.72 0.00 0.00 179.24 177.86 1syr h GLU 67 N 0.00 0.01 -1.34 3.56 4.81 -1.72 -3.24 114.58 116.66 1syr h GLU 67 Ca -0.16 -0.01 -0.49 0.00 -0.13 0.00 0.00 59.36 58.57 1syr h GLU 67 Cb 1.82 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.79 1syr h GLU 67 CO 0.09 0.49 -0.94 0.28 -0.73 0.00 0.00 179.01 178.19 1syr n VAL 68 N -3.97 1.72 -0.19 0.32 0.31 -0.67 -4.91 118.33 110.95 1syr n VAL 68 Ca -0.02 -4.14 0.03 0.00 -0.01 0.00 0.00 64.34 60.20 1syr n VAL 68 Cb 0.50 -0.41 0.08 0.00 -0.91 0.00 0.00 33.84 33.10 1syr n VAL 68 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1syr n SER 69 N -0.27 -0.19 -0.19 4.52 7.64 -0.98 -0.44 113.62 123.72 1syr n SER 69 Ca 0.25 0.91 0.02 0.00 1.01 0.00 0.00 58.87 61.06 1syr n SER 69 Cb 0.72 -0.28 0.28 0.00 -1.01 0.00 0.00 64.21 63.92 1syr n SER 69 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1syr h GLU 70 N 0.00 0.91 0.21 1.43 3.07 -1.91 0.03 114.58 118.32 1syr h GLU 70 Ca 0.26 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 1syr h GLU 70 Cb 0.40 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1syr h GLU 70 CO -0.54 0.60 -0.10 0.28 -1.40 0.00 0.00 179.01 177.85 1syr h VAL 71 N 0.93 0.77 -0.76 3.13 2.07 -1.13 -3.05 116.25 118.21 1syr h VAL 71 Ca 0.27 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.89 1syr h VAL 71 Cb -0.05 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1syr h VAL 71 CO -0.07 0.18 0.50 0.71 0.02 0.00 0.00 177.57 178.92 1syr h THR 72 N -0.85 1.00 -0.17 2.57 1.35 -0.73 0.26 112.91 116.34 1syr h THR 72 Ca -0.03 -0.27 -0.15 0.00 -0.55 0.00 0.00 66.41 65.41 1syr h THR 72 Cb 0.51 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.09 1syr h THR 72 CO 0.05 0.14 -0.54 -0.33 -0.25 0.00 0.00 175.52 174.59 1syr h GLU 73 N 0.77 0.50 0.00 4.72 4.39 -1.13 -1.55 114.58 122.28 1syr h GLU 73 Ca 0.34 -0.31 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 1syr h GLU 73 Cb 0.31 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1syr h GLU 73 CO -0.12 0.91 -0.49 0.87 -1.16 0.00 0.00 179.01 179.02 1syr h LYS 74 N 0.39 0.00 -0.04 2.33 1.57 -1.02 -3.17 116.57 116.62 1syr h LYS 74 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1syr h LYS 74 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1syr h LYS 74 CO 0.10 0.49 0.00 0.39 -0.57 0.00 0.00 179.45 179.86 1syr n GLU 75 N -3.58 1.89 -3.38 3.15 -0.58 0.77 -4.97 120.64 113.94 1syr n GLU 75 Ca -0.00 -1.30 -0.17 0.00 -0.42 0.00 0.00 57.16 55.27 1syr n GLU 75 Cb 0.58 -1.47 0.08 0.00 -0.57 0.00 0.00 31.44 30.06 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 0.57 -3.78 -4.56 1.62 5.15 -0.62 -4.95 115.26 108.69 1syr n ASN 76 Ca 0.17 -0.67 -0.41 0.00 -0.60 0.00 0.00 54.58 53.07 1syr n ASN 76 Cb 0.43 -5.08 -0.08 0.00 -0.53 0.00 0.00 39.78 34.53 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 -3.39 4.99 -0.11 -1.44 -1.09 -1.01 -4.94 121.20 114.21 1syr s ILE 77 Ca 0.18 0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 58.95 1syr s ILE 77 Cb -0.03 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 1syr s ILE 77 CO 0.74 -0.22 -0.19 0.35 -1.23 0.00 0.00 174.94 174.39 1syr n THR 78 N 5.45 0.98 -2.43 2.92 -2.24 -1.26 -4.95 114.28 112.75 1syr n THR 78 Ca -0.04 -0.05 -0.28 0.00 -2.27 0.00 0.00 64.05 61.41 1syr n THR 78 Cb 0.49 -1.79 0.02 0.00 -2.10 0.00 0.00 70.33 66.94 1syr n THR 78 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1syr s SER 79 N -6.20 5.95 -0.05 3.42 0.01 -1.26 -5.10 113.70 110.47 1syr s SER 79 Ca -0.19 0.90 -0.01 0.00 1.31 0.00 0.00 55.95 57.96 1syr s SER 79 Cb 0.06 -2.03 0.03 0.00 0.21 0.00 0.00 66.02 64.28 1syr s SER 79 CO 0.25 -0.84 0.00 -0.32 0.41 0.00 0.00 173.24 172.74 1syr s MET 80 N -4.91 0.51 0.93 12.44 1.75 -1.26 -3.85 119.30 124.90 1syr s MET 80 Ca 0.51 0.10 -0.14 0.00 -1.25 0.00 0.00 55.69 54.90 1syr s MET 80 Cb -0.10 -0.80 0.18 0.00 2.84 0.00 0.00 34.83 36.95 1syr s MET 80 CO 0.46 -0.23 1.29 -1.25 -0.65 0.00 0.00 175.02 174.63 1syr s PRO 81 N 1.62 0.82 -0.02 4.11 0.04 -1.26 -4.73 135.00 135.58 1syr s PRO 81 Ca -0.01 -0.43 0.01 0.00 0.04 0.00 0.00 61.00 60.62 1syr s PRO 81 Cb -0.13 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1syr s PRO 81 CO -0.03 -2.28 -0.02 0.99 0.04 0.00 0.00 177.00 175.70 1syr s THR 82 N -3.81 0.31 -0.09 1.26 2.01 -1.16 -1.72 115.64 112.45 1syr s THR 82 Ca 0.72 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.67 1syr s THR 82 Cb -0.04 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 1syr s THR 82 CO 0.52 0.14 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.16 1syr s PHE 83 N 0.58 2.94 -0.03 4.92 0.40 0.14 -1.57 117.98 125.38 1syr s PHE 83 Ca -0.06 -0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1syr s PHE 83 Cb -0.10 -1.76 0.02 0.00 0.51 0.00 0.00 43.02 41.69 1syr s PHE 83 CO -0.01 0.24 -0.04 0.15 0.70 0.00 0.00 175.22 176.26 1syr s LYS 84 N -0.56 0.67 -0.02 0.44 -0.14 -0.84 0.23 119.74 119.52 1syr s LYS 84 Ca 0.08 -0.10 0.02 0.00 -1.36 0.00 0.00 55.97 54.61 1syr s LYS 84 Cb -0.12 -0.69 -0.03 0.00 -1.68 0.00 0.00 37.83 35.31 1syr s LYS 84 CO 0.02 -0.04 -0.06 0.14 -0.76 0.00 0.00 175.35 174.66 1syr s VAL 85 N 0.67 3.75 -0.14 3.17 -7.23 -0.63 -0.62 120.40 119.36 1syr s VAL 85 Ca -0.08 -0.66 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1syr s VAL 85 Cb -0.12 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.24 1syr s VAL 85 CO -0.00 0.46 -0.15 -0.31 -0.31 0.00 0.00 175.10 174.78 1syr s TYR 86 N -0.95 2.17 -0.21 2.82 1.51 0.64 -1.17 117.35 122.17 1syr s TYR 86 Ca 0.16 -1.18 -0.03 0.00 -1.01 0.00 0.00 57.07 55.01 1syr s TYR 86 Cb -0.11 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.15 1syr s TYR 86 CO 0.06 -0.63 -0.07 0.21 -1.11 0.00 0.00 175.55 174.00 1syr s LYS 87 N 1.35 3.33 -1.55 -0.62 2.20 -0.82 -1.66 119.74 121.97 1syr s LYS 87 Ca 0.02 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 1syr s LYS 87 Cb -0.13 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 1syr s LYS 87 CO -0.09 -0.16 0.00 0.09 -0.36 0.00 0.00 175.35 174.84 1syr n ASN 88 N 4.64 -4.94 0.00 1.43 5.03 -0.97 -2.89 115.26 117.56 1syr n ASN 88 Ca -0.19 0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.41 1syr n ASN 88 Cb 0.51 -3.99 0.00 0.00 -1.02 0.00 0.00 39.78 35.28 1syr n ASN 88 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1syr n GLY 89 N -0.99 0.78 3.56 7.41 0.00 -1.25 -5.03 105.19 109.67 1syr n GLY 89 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.89 4.19 -0.02 1.61 0.01 -1.14 -4.92 113.70 110.53 1syr s SER 90 Ca 0.00 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.38 1syr s SER 90 Cb 0.00 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.50 1syr s SER 90 CO 0.00 0.12 1.22 -0.55 0.41 0.00 0.00 173.24 174.44 1syr s SER 91 N -2.71 7.04 -0.06 2.44 0.15 -1.26 -1.95 113.70 117.35 1syr s SER 91 Ca 0.24 1.89 -0.03 0.00 0.70 0.00 0.00 55.95 58.76 1syr s SER 91 Cb -0.09 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.63 1syr s SER 91 CO 0.14 -0.57 -0.07 0.52 1.20 0.00 0.00 173.24 174.46 1syr n VAL 92 N 4.46 0.33 -4.14 4.45 0.31 -0.31 -4.96 118.33 118.47 1syr n VAL 92 Ca 0.11 -0.09 -0.17 0.00 -0.01 0.00 0.00 64.34 64.18 1syr n VAL 92 Cb 0.46 -1.47 -0.12 0.00 -0.91 0.00 0.00 33.84 31.80 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 -5.42 1.42 -0.02 4.52 -1.08 -1.24 -5.03 116.67 109.83 1syr s ASP 93 Ca -0.08 -0.59 -0.00 0.00 -0.52 0.00 0.00 52.55 51.35 1syr s ASP 93 Cb 0.03 -0.02 0.03 0.00 -1.46 0.00 0.00 42.92 41.50 1syr s ASP 93 CO 0.11 -0.11 0.03 0.28 0.52 0.00 0.00 175.17 176.00 1syr s THR 94 N -1.29 -0.07 -0.12 1.71 -1.32 -1.26 -1.60 115.64 111.69 1syr s THR 94 Ca -0.04 0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 1syr s THR 94 Cb -0.10 -0.09 -0.02 0.00 -1.51 0.00 0.00 72.50 70.78 1syr s THR 94 CO 0.02 0.10 -0.12 -0.22 -2.21 0.00 0.00 174.62 172.18 1syr s LEU 95 N 1.22 2.76 -0.13 9.08 2.96 0.14 -4.97 118.68 129.74 1syr s LEU 95 Ca -0.07 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 1syr s LEU 95 Cb -0.13 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1syr s LEU 95 CO -0.03 0.19 0.02 -0.76 -1.32 0.00 0.00 176.35 174.45 1syr s LEU 96 N 0.21 3.63 0.00 -0.68 1.43 -1.26 0.29 118.68 122.29 1syr s LEU 96 Ca -0.08 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1syr s LEU 96 Cb -0.15 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1syr s LEU 96 CO 0.05 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.51 1syr n GLY 97 N 2.88 1.39 2.69 -3.19 0.00 -0.70 -4.89 105.19 103.38 1syr n GLY 97 Ca -0.18 -2.11 -0.27 0.00 0.00 0.00 0.00 46.02 43.45 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 0.55 4.94 -2.76 4.61 0.00 -1.26 -4.55 120.51 122.05 1syr n ALA 98 Ca 0.00 -4.50 -0.35 0.00 0.00 0.00 0.00 53.44 48.60 1syr n ALA 98 Cb 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 19.45 18.69 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 -3.44 6.00 0.04 0.00 3.84 -1.26 -4.92 114.94 115.20 1syr s ASN 99 Ca 0.48 0.17 -0.24 0.00 0.21 0.00 0.00 52.86 53.48 1syr s ASN 99 Cb 0.35 -2.05 -0.17 0.00 -0.55 0.00 0.00 41.25 38.83 1syr s ASN 99 CO -0.17 0.17 1.49 0.44 -2.79 0.00 0.00 177.10 176.24 1syr h ASP 100 N 6.75 0.05 -0.77 -4.21 5.19 -1.99 -1.37 116.42 120.07 1syr h ASP 100 Ca -0.39 -0.26 -0.05 0.00 -0.62 0.00 0.00 57.03 55.70 1syr h ASP 100 Cb 1.16 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.62 1syr h ASP 100 CO 0.73 0.30 0.27 0.77 -3.12 0.00 0.00 179.24 178.19 1syr h SER 101 N -0.21 1.10 0.02 6.45 4.64 -1.99 -0.86 113.55 122.70 1syr h SER 101 Ca 0.01 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1syr h SER 101 Cb 0.27 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1syr h SER 101 CO 0.00 1.00 -0.01 0.00 -0.87 0.00 0.00 176.83 176.95 1syr h ALA 102 N 1.15 -0.03 -0.50 5.18 0.00 -1.95 -1.76 119.26 121.34 1syr h ALA 102 Ca 0.25 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1syr h ALA 102 Cb 0.27 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1syr h ALA 102 CO -0.01 -0.49 0.26 1.25 0.00 0.00 0.00 179.25 180.25 1syr h LEU 103 N -0.07 0.38 -0.66 0.00 5.85 -1.11 -2.35 115.31 117.35 1syr h LEU 103 Ca -0.00 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.86 1syr h LEU 103 Cb 0.06 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.96 1syr h LEU 103 CO 0.00 0.26 0.22 0.50 -0.34 0.00 0.00 178.44 179.09 1syr h LYS 104 N 0.51 0.36 -0.53 1.25 3.11 -0.72 -1.28 116.57 119.27 1syr h LYS 104 Ca 0.22 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.99 1syr h LYS 104 Cb 0.12 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.25 1syr h LYS 104 CO -0.15 0.24 0.16 1.96 -2.81 0.00 0.00 179.45 178.85 1syr h GLN 105 N 0.38 0.83 -0.48 1.90 4.20 -0.90 -0.39 115.11 120.65 1syr h GLN 105 Ca 0.35 -0.18 0.06 0.00 0.06 0.00 0.00 58.65 58.94 1syr h GLN 105 Cb 0.49 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 1syr h GLN 105 CO -0.37 0.77 0.17 1.25 -0.67 0.00 0.00 178.83 179.98 1syr h LEU 106 N 0.73 0.18 -0.05 1.46 5.85 -0.81 -0.51 115.31 122.16 1syr h LEU 106 Ca 0.17 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1syr h LEU 106 Cb 0.29 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1syr h LEU 106 CO -0.00 0.13 0.03 0.40 -0.34 0.00 0.00 178.44 178.66 1syr h ILE 107 N 0.35 1.10 0.00 4.05 1.08 -0.81 -3.07 117.51 120.20 1syr h ILE 107 Ca 0.23 -0.28 -0.05 0.00 -0.39 0.00 0.00 64.86 64.37 1syr h ILE 107 Cb 0.23 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 1syr h ILE 107 CO -0.23 0.08 -0.24 -0.08 -0.69 0.00 0.00 178.15 176.99 1syr h GLU 108 N -0.03 0.00 -0.81 2.37 4.81 -0.75 -0.49 114.58 119.68 1syr h GLU 108 Ca 0.02 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.41 1syr h GLU 108 Cb 0.11 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 1syr h GLU 108 CO -0.00 0.24 0.54 -0.22 -0.73 0.00 0.00 179.01 178.84 1syr h LYS 109 N 0.00 0.42 -0.00 1.92 3.64 -0.99 -3.03 116.57 118.53 1syr h LYS 109 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1syr h LYS 109 Cb 0.54 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1syr h LYS 109 CO 0.03 0.28 -0.20 0.66 -2.27 0.00 0.00 179.45 177.96 1syr n TYR 110 N -4.49 0.00 -0.70 1.91 4.01 -0.70 -5.13 117.16 112.06 1syr n TYR 110 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 1syr n TYR 110 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1syr n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40