#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2osh h LEU 2 N 0.00 0.91 -0.61 -4.53 4.07 -1.63 -1.31 115.31 112.22 2osh h LEU 2 Ca 0.00 -0.16 0.12 0.00 0.08 0.00 0.00 57.88 57.92 2osh h LEU 2 Cb 0.00 -0.24 -0.09 0.00 1.08 0.00 0.00 40.66 41.41 2osh h LEU 2 CO 0.00 0.82 0.08 0.22 -1.08 0.00 0.00 178.44 178.49 2osh h TYR 3 N 0.95 0.11 -0.79 1.13 3.20 -1.98 0.21 116.97 119.80 2osh h TYR 3 Ca 0.23 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.16 2osh h TYR 3 Cb 0.18 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 2osh h TYR 3 CO 0.01 -0.09 0.51 1.96 -1.64 0.00 0.00 178.16 178.91 2osh h GLN 4 N 0.20 0.97 -0.40 1.82 4.20 -1.74 -2.14 115.11 118.02 2osh h GLN 4 Ca 0.32 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.94 2osh h GLN 4 Cb 0.51 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2osh h GLN 4 CO -0.46 0.64 0.10 0.35 -0.67 0.00 0.00 178.83 178.80 2osh h PHE 5 N 1.00 0.67 -0.66 2.96 3.57 -0.31 0.24 116.94 124.41 2osh h PHE 5 Ca 0.31 -0.08 0.14 0.00 3.53 0.00 0.00 57.97 61.87 2osh h PHE 5 Cb -0.02 -0.19 -0.11 0.00 2.79 0.00 0.00 35.95 38.42 2osh h PHE 5 CO -0.03 0.64 0.06 -0.22 -2.23 0.00 0.00 178.31 176.53 2osh h LYS 6 N 0.51 0.16 -0.39 1.11 3.64 -0.55 -0.40 116.57 120.65 2osh h LYS 6 Ca 0.13 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 2osh h LYS 6 Cb 0.30 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2osh h LYS 6 CO 0.00 0.11 -0.20 -0.91 -2.27 0.00 0.00 179.45 176.17 2osh h ASN 7 N 0.16 0.77 -0.40 4.20 2.35 -1.00 -1.59 115.58 120.07 2osh h ASN 7 Ca 0.36 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 2osh h ASN 7 Cb 0.59 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 2osh h ASN 7 CO -0.53 0.96 0.19 0.24 -1.65 0.00 0.00 177.43 176.64 2osh h MET 8 N 0.67 0.38 -0.22 0.81 2.86 -0.36 -0.25 114.93 118.82 2osh h MET 8 Ca 0.10 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 2osh h MET 8 Cb 0.70 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 2osh h MET 8 CO 0.05 0.25 0.07 0.82 1.06 0.00 0.00 176.91 179.17 2osh h ILE 9 N 0.39 0.95 -0.40 -1.22 2.04 -0.85 -1.15 117.51 117.26 2osh h ILE 9 Ca 0.17 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 66.08 2osh h ILE 9 Cb 0.09 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2osh h ILE 9 CO -0.13 0.03 0.29 1.56 0.00 0.00 0.00 178.15 179.90 2osh h GLN 10 N 0.17 0.04 -0.23 2.37 4.20 -1.12 0.35 115.11 120.89 2osh h GLN 10 Ca 0.09 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 2osh h GLN 10 Cb 0.06 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 2osh h GLN 10 CO -0.10 0.03 -0.19 0.00 -0.67 0.00 0.00 178.83 177.90 2osh n THR 12 N -4.42 1.37 -2.98 0.00 -2.24 -0.61 -4.52 114.28 100.88 2osh n THR 12 Ca -0.05 -0.82 -0.26 0.00 -2.27 0.00 0.00 64.05 60.66 2osh n THR 12 Cb 0.40 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 67.98 2osh n THR 12 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2osh n VAL 13 N -2.82 2.68 0.31 2.28 0.31 0.12 -4.77 118.33 116.44 2osh n VAL 13 Ca -0.26 -5.46 0.15 0.00 -0.01 0.00 0.00 64.34 58.76 2osh n VAL 13 Cb 1.08 -1.27 0.69 0.00 -0.91 0.00 0.00 33.84 33.43 2osh n VAL 13 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2osh h PRO 14 N 3.00 0.00 0.00 5.55 0.13 -1.71 -1.71 132.00 137.26 2osh h PRO 14 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2osh h PRO 14 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2osh h PRO 14 CO 0.78 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.21 2osh h SER 15 N 0.00 0.00 -3.78 1.44 4.64 -1.91 -3.43 113.55 110.50 2osh h SER 15 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 2osh h SER 15 Cb 0.27 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.16 2osh h SER 15 CO 0.00 0.00 -0.75 -0.13 -0.87 0.00 0.00 176.83 175.08 2osh s ARG 16 N -3.39 2.32 0.26 4.77 0.52 -0.64 -5.10 118.95 117.68 2osh s ARG 16 Ca 0.04 -0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 54.10 2osh s ARG 16 Cb 0.09 -2.35 -0.10 0.00 0.52 0.00 0.00 34.95 33.12 2osh s ARG 16 CO 0.49 0.57 1.40 -1.54 0.02 0.00 0.00 175.30 176.24 2osh s SER 17 N -1.44 6.70 0.40 0.23 1.04 -1.26 -4.88 113.70 114.49 2osh s SER 17 Ca 0.16 2.64 0.17 0.00 0.48 0.00 0.00 55.95 59.40 2osh s SER 17 Cb -0.11 -2.63 1.06 0.00 0.10 0.00 0.00 66.02 64.45 2osh s SER 17 CO 0.07 -0.65 1.82 4.11 0.98 0.00 0.00 173.24 179.56 2osh h TRP 18 N 4.79 0.63 -0.02 5.02 5.08 -1.91 -1.90 115.95 127.64 2osh h TRP 18 Ca -0.46 0.02 0.01 0.00 1.08 0.00 0.00 58.89 59.53 2osh h TRP 18 Cb 1.22 -0.19 -0.00 0.00 -3.00 0.00 0.00 29.16 27.19 2osh h TRP 18 CO 0.60 0.12 0.03 0.00 -1.28 0.00 0.00 178.44 177.91 2osh h ASP 20 N 0.00 0.00 -0.11 0.00 5.19 -1.73 -2.01 116.42 117.76 2osh h ASP 20 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2osh h ASP 20 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 2osh h ASP 20 CO -0.00 0.03 0.00 0.49 -3.12 0.00 0.00 179.24 176.64 2osh n PHE 21 N -3.47 0.11 0.47 4.55 3.72 -0.80 -4.44 117.46 117.61 2osh n PHE 21 Ca -0.02 -0.06 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 2osh n PHE 21 Cb 0.13 -0.00 0.12 0.00 -0.94 0.00 0.00 39.48 38.79 2osh n PHE 21 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2osh h ALA 22 N 4.40 0.53 -1.57 4.37 0.00 -1.45 -3.35 119.26 122.19 2osh h ALA 22 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 2osh h ALA 22 Cb 0.95 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.47 2osh h ALA 22 CO 0.00 0.00 -0.75 -3.47 0.00 0.00 0.00 179.25 175.03 2osh n ASP 23 N -2.22 -1.85 -3.82 0.00 2.03 -1.24 -3.96 116.55 105.49 2osh n ASP 23 Ca 0.02 -2.70 -0.16 0.00 0.52 0.00 0.00 54.79 52.47 2osh n ASP 23 Cb 0.46 0.58 -0.16 0.00 -0.72 0.00 0.00 41.12 41.29 2osh n ASP 23 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2osh s TYR 24 N 0.33 0.21 0.00 -0.67 6.14 -0.92 -0.19 117.35 122.25 2osh s TYR 24 Ca 0.32 0.03 0.00 0.00 0.64 0.00 0.00 57.07 58.06 2osh s TYR 24 Cb 0.05 -0.32 0.00 0.00 0.42 0.00 0.00 41.96 42.12 2osh s TYR 24 CO -0.14 -0.10 0.00 0.41 0.64 0.00 0.00 175.55 176.37 2osh n GLY 25 N 3.99 0.57 0.08 8.97 0.00 -0.14 -1.43 105.19 117.24 2osh n GLY 25 Ca -0.25 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.06 2osh n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2osh n TYR 27 N -2.32 0.00 -2.67 0.00 4.02 -1.24 -3.66 117.16 111.29 2osh n TYR 27 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.48 2osh n TYR 27 Cb 0.48 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.73 2osh n TYR 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2osh n GLY 29 N 4.12 0.70 1.43 0.00 0.00 -1.25 -2.16 105.19 108.03 2osh n GLY 29 Ca 0.11 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 2osh n GLY 29 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2osh n LYS 30 N -2.48 0.42 -0.21 1.61 0.00 -1.23 -4.88 118.16 111.39 2osh n LYS 30 Ca 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 58.31 57.36 2osh n LYS 30 Cb 0.00 1.07 0.03 0.00 0.00 0.00 0.00 35.03 36.13 2osh n LYS 30 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2osh h GLY 31 N 0.76 0.94 0.00 3.14 0.00 -1.92 -3.47 103.07 102.52 2osh h GLY 31 Ca -0.13 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2osh h GLY 31 CO 0.16 0.45 0.00 0.61 0.00 0.00 0.00 176.54 177.77 2osh n GLY 32 N -0.90 1.43 3.56 4.60 0.00 -1.26 -4.80 105.19 107.82 2osh n GLY 32 Ca 0.04 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 2osh n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2osh s SER 33 N -0.30 -0.22 0.40 1.61 1.04 -1.24 -5.04 113.70 109.95 2osh s SER 33 Ca 0.00 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.85 2osh s SER 33 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2osh s SER 33 CO 0.00 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.74 2osh n GLY 34 N -0.35 -0.37 3.67 7.32 0.00 -1.13 -4.71 105.19 109.62 2osh n GLY 34 Ca -0.08 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 2osh n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2osh s THR 35 N 0.00 5.25 0.38 2.61 2.01 -1.26 -4.96 115.64 119.66 2osh s THR 35 Ca 0.00 0.56 -0.28 0.00 0.31 0.00 0.00 61.69 62.28 2osh s THR 35 Cb 0.00 -3.66 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 2osh s THR 35 CO 0.00 0.28 1.46 -2.16 -0.69 0.00 0.00 174.62 173.51 2osh s PRO 36 N 1.19 4.08 0.27 4.92 0.04 -1.26 -4.73 135.00 139.51 2osh s PRO 36 Ca 0.16 2.51 0.24 0.00 0.04 0.00 0.00 61.00 63.94 2osh s PRO 36 Cb -0.14 -2.93 0.33 0.00 0.04 0.00 0.00 34.50 31.80 2osh s PRO 36 CO 0.07 -0.53 1.43 -0.39 0.04 0.00 0.00 177.00 177.61 2osh h VAL 37 N 2.88 0.00 -1.44 -0.36 -1.51 -1.96 -3.48 116.25 110.38 2osh h VAL 37 Ca -0.51 -0.81 0.02 0.00 -1.23 0.00 0.00 66.70 64.18 2osh h VAL 37 Cb 1.24 1.59 -0.00 0.00 -2.13 0.00 0.00 31.29 31.99 2osh h VAL 37 CO 0.64 0.00 0.05 -0.90 -1.23 0.00 0.00 177.57 176.13 2osh n ASP 38 N -2.64 -0.10 -0.08 4.19 5.68 -1.26 -5.01 116.55 117.33 2osh n ASP 38 Ca 0.03 -1.04 -0.10 0.00 -0.50 0.00 0.00 54.79 53.18 2osh n ASP 38 Cb 0.50 0.16 -0.03 0.00 -1.14 0.00 0.00 41.12 40.61 2osh n ASP 38 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2osh h ASP 39 N 0.13 0.35 -0.79 -1.12 3.32 -1.94 -1.60 116.42 114.78 2osh h ASP 39 Ca -0.02 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2osh h ASP 39 Cb 0.08 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 2osh h ASP 39 CO 0.02 0.36 0.44 0.25 -1.72 0.00 0.00 179.24 178.59 2osh h LEU 40 N 0.32 0.98 -1.68 1.55 5.85 -1.92 -1.67 115.31 118.74 2osh h LEU 40 Ca 0.10 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 2osh h LEU 40 Cb 0.09 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2osh h LEU 40 CO -0.01 0.78 -0.17 -0.78 -0.34 0.00 0.00 178.44 177.92 2osh h ASP 41 N 1.09 0.00 -0.18 1.25 3.58 -1.85 -2.56 116.42 117.75 2osh h ASP 41 Ca 0.28 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.55 2osh h ASP 41 Cb 0.02 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 2osh h ASP 41 CO -0.05 0.17 -0.54 0.03 -2.88 0.00 0.00 179.24 175.98 2osh h ARG 42 N 0.00 0.77 -0.56 0.28 3.08 -0.81 -0.14 114.38 117.00 2osh h ARG 42 Ca -0.00 -0.48 0.11 0.00 0.07 0.00 0.00 59.98 59.68 2osh h ARG 42 Cb 0.30 0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.30 2osh h ARG 42 CO 0.02 1.10 -0.19 0.00 -1.07 0.00 0.00 179.97 179.84 2osh h GLN 45 N 0.32 0.39 -0.75 0.00 4.15 -0.61 0.29 115.11 118.90 2osh h GLN 45 Ca 0.05 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 2osh h GLN 45 Cb 0.61 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 2osh h GLN 45 CO 0.04 0.51 0.25 0.28 -1.93 0.00 0.00 178.83 177.98 2osh h VAL 46 N 0.20 1.26 0.00 2.39 2.07 -1.13 0.43 116.25 121.48 2osh h VAL 46 Ca 0.07 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2osh h VAL 46 Cb 0.30 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2osh h VAL 46 CO 0.00 0.35 -0.02 -0.74 0.02 0.00 0.00 177.57 177.19 2osh h HIS 47 N 1.11 -0.04 -0.46 1.57 -0.00 -0.90 0.11 115.15 116.54 2osh h HIS 47 Ca 0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.61 2osh h HIS 47 Cb 0.29 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 2osh h HIS 47 CO 0.02 -0.03 0.28 -0.44 -0.00 0.00 0.00 177.93 177.76 2osh h ASP 48 N -0.03 0.56 -0.48 3.26 3.32 -0.71 -1.17 116.42 121.17 2osh h ASP 48 Ca 0.01 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2osh h ASP 48 Cb 0.04 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2osh h ASP 48 CO -0.02 0.45 0.27 0.78 -1.72 0.00 0.00 179.24 179.01 2osh h ASN 49 N 0.62 0.61 -0.60 6.45 4.21 -0.75 -0.62 115.58 125.50 2osh h ASN 49 Ca 0.17 -0.04 -0.08 0.00 1.21 0.00 0.00 56.30 57.55 2osh h ASN 49 Cb -0.00 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.02 2osh h ASN 49 CO -0.03 0.50 0.05 0.00 -1.29 0.00 0.00 177.43 176.66 2osh h TYR 51 N 0.96 0.92 -0.89 0.00 -1.99 -0.70 -1.78 116.97 113.49 2osh h TYR 51 Ca 0.18 -0.17 0.03 0.00 2.00 0.00 0.00 58.73 60.77 2osh h TYR 51 Cb 0.49 -0.24 -0.05 0.00 2.00 0.00 0.00 36.73 38.93 2osh h TYR 51 CO 0.03 0.89 0.59 -0.91 -0.00 0.00 0.00 178.16 178.77 2osh h ASN 52 N 0.69 0.98 -0.21 3.88 2.35 -0.82 -1.41 115.58 121.04 2osh h ASN 52 Ca 0.13 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.76 2osh h ASN 52 Cb 0.54 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 2osh h ASN 52 CO 0.03 0.68 -0.29 -0.08 -1.65 0.00 0.00 177.43 176.12 2osh h GLU 53 N 1.14 0.57 -0.04 0.81 4.57 -1.12 -3.02 114.58 117.50 2osh h GLU 53 Ca 0.35 -0.33 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2osh h GLU 53 Cb -0.02 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2osh h GLU 53 CO -0.10 0.93 0.03 0.00 -1.18 0.00 0.00 179.01 178.69 2osh h ALA 54 N 0.63 2.02 0.00 2.92 0.00 -1.05 -1.86 119.26 121.92 2osh h ALA 54 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2osh h ALA 54 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2osh h ALA 54 CO 0.07 -0.04 0.00 0.93 0.00 0.00 0.00 179.25 180.20 2osh h GLU 55 N 0.00 0.00 0.00 0.00 4.39 -1.12 -1.91 114.58 115.93 2osh h GLU 55 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2osh h GLU 55 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2osh h GLU 55 CO -0.00 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.48 2osh n LYS 56 N -2.63 0.22 -2.77 2.33 5.02 -0.70 -4.70 118.16 114.93 2osh n LYS 56 Ca -0.01 0.33 -0.41 0.00 -2.02 0.00 0.00 58.31 56.20 2osh n LYS 56 Cb 0.12 -1.83 -0.04 0.00 -0.02 0.00 0.00 35.03 33.26 2osh n LYS 56 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2osh s ILE 57 N -3.22 4.72 0.11 -0.18 1.01 -0.72 -4.99 121.20 117.93 2osh s ILE 57 Ca 0.07 1.97 -0.35 0.00 0.00 0.00 0.00 60.65 62.35 2osh s ILE 57 Cb 0.11 -4.28 -0.14 0.00 0.01 0.00 0.00 42.46 38.16 2osh s ILE 57 CO 0.48 0.25 1.57 -0.24 0.00 0.00 0.00 174.94 177.01 2osh n SER 58 N 3.32 2.85 0.00 3.58 2.88 -1.26 -2.00 113.62 122.99 2osh n SER 58 Ca 0.03 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 2osh n SER 58 Cb 0.50 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 2osh n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2osh n GLY 59 N 3.38 0.47 3.52 0.46 0.00 -1.26 -4.99 105.19 106.77 2osh n GLY 59 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2osh n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2osh s TRP 61 N 2.22 2.79 0.51 0.00 0.51 -1.26 -4.36 118.94 119.34 2osh s TRP 61 Ca 0.14 -2.53 0.25 0.00 -2.12 0.00 0.00 56.10 51.84 2osh s TRP 61 Cb -0.16 -2.38 1.35 0.00 -0.81 0.00 0.00 33.47 31.46 2osh s TRP 61 CO 0.14 -0.88 1.94 -1.35 -0.51 0.00 0.00 176.95 176.28 2osh h PRO 62 N 7.52 0.10 0.00 4.98 0.11 -1.92 0.39 132.00 143.17 2osh h PRO 62 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2osh h PRO 62 Cb 0.99 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2osh h PRO 62 CO 0.52 0.06 0.00 1.88 -0.21 0.00 0.00 178.00 180.25 2osh h TYR 63 N 0.10 0.00 0.00 0.65 -1.99 -1.95 -3.34 116.97 110.44 2osh h TYR 63 Ca 0.35 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.08 2osh h TYR 63 Cb 1.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.97 2osh h TYR 63 CO -0.00 0.00 -0.97 1.19 -0.00 0.00 0.00 178.16 178.38 2osh n PHE 64 N -3.09 0.00 -1.76 4.88 3.72 0.04 -2.12 117.46 119.13 2osh n PHE 64 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 2osh n PHE 64 Cb 0.39 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.91 2osh n PHE 64 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2osh s LYS 65 N -1.95 3.99 -0.40 -1.08 2.47 0.11 -4.66 119.74 118.22 2osh s LYS 65 Ca 0.00 2.39 -0.25 0.00 -1.56 0.00 0.00 55.97 56.55 2osh s LYS 65 Cb 0.00 -4.15 0.02 0.00 -1.46 0.00 0.00 37.83 32.24 2osh s LYS 65 CO 0.00 -1.11 0.87 0.99 0.16 0.00 0.00 175.35 176.26 2osh s THR 66 N 4.95 4.60 0.52 3.43 2.01 -1.26 0.13 115.64 130.02 2osh s THR 66 Ca 0.86 0.88 0.08 0.00 0.31 0.00 0.00 61.69 63.83 2osh s THR 66 Cb -0.38 -4.33 0.08 0.00 0.01 0.00 0.00 72.50 67.88 2osh s THR 66 CO 0.38 -0.62 0.68 0.00 -0.69 0.00 0.00 174.62 174.37 2osh n TYR 67 N 6.79 -2.18 -4.25 4.92 0.18 -1.26 -4.95 117.16 116.42 2osh n TYR 67 Ca 0.05 -1.92 -0.34 0.00 1.88 0.00 0.00 57.90 57.57 2osh n TYR 67 Cb 0.48 -0.48 -0.15 0.00 -0.38 0.00 0.00 39.34 38.81 2osh n TYR 67 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2osh s SER 68 N -4.19 3.96 0.14 9.48 0.15 -1.26 -5.00 113.70 116.98 2osh s SER 68 Ca 0.52 -0.42 -0.15 0.00 0.70 0.00 0.00 55.95 56.60 2osh s SER 68 Cb -0.04 -1.64 0.02 0.00 -1.71 0.00 0.00 66.02 62.65 2osh s SER 68 CO 0.33 0.05 0.39 -0.72 1.20 0.00 0.00 173.24 174.49 2osh s TYR 69 N 1.06 -0.07 0.00 3.44 1.13 -1.26 -1.17 117.35 120.47 2osh s TYR 69 Ca -0.00 -0.27 0.04 0.00 -1.41 0.00 0.00 57.07 55.43 2osh s TYR 69 Cb -0.15 0.22 -0.01 0.00 -1.10 0.00 0.00 41.96 40.92 2osh s TYR 69 CO -0.02 -0.74 -0.11 -2.00 -2.51 0.00 0.00 175.55 170.17 2osh s GLU 70 N -3.85 0.87 -0.18 -3.49 2.12 0.15 -4.92 118.70 109.41 2osh s GLU 70 Ca 0.06 -0.45 0.01 0.00 0.36 0.00 0.00 54.97 54.95 2osh s GLU 70 Cb 0.02 -0.84 0.02 0.00 0.26 0.00 0.00 34.13 33.59 2osh s GLU 70 CO -0.08 0.23 -0.17 0.00 -0.54 0.00 0.00 175.26 174.69 2osh s SER 72 N 1.33 -0.66 -1.41 0.00 1.04 -0.77 -4.98 113.70 108.27 2osh s SER 72 Ca 0.04 1.13 -0.05 0.00 0.48 0.00 0.00 55.95 57.55 2osh s SER 72 Cb -0.14 1.10 0.03 0.00 0.10 0.00 0.00 66.02 67.12 2osh s SER 72 CO -0.12 -0.31 0.71 0.00 0.98 0.00 0.00 173.24 174.50 2osh n GLN 73 N 2.12 -4.57 -1.01 4.02 6.02 -1.26 -2.00 117.38 120.70 2osh n GLN 73 Ca -0.15 0.55 -0.00 0.00 -0.01 0.00 0.00 57.00 57.39 2osh n GLN 73 Cb 0.56 -5.09 -0.00 0.00 1.02 0.00 0.00 30.24 26.72 2osh n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2osh n GLY 74 N -1.69 0.47 3.05 1.08 0.00 -1.26 -5.01 105.19 101.83 2osh n GLY 74 Ca -0.20 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 2osh n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2osh s THR 75 N -1.92 1.00 -0.18 2.61 2.01 -0.85 -4.99 115.64 113.32 2osh s THR 75 Ca 0.00 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 2osh s THR 75 Cb 0.00 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 2osh s THR 75 CO 0.00 0.30 0.05 -0.22 -0.69 0.00 0.00 174.62 174.06 2osh s LEU 76 N 0.07 3.78 -0.08 4.42 2.96 -1.26 -1.84 118.68 126.73 2osh s LEU 76 Ca -0.02 0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 2osh s LEU 76 Cb -0.09 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.68 2osh s LEU 76 CO 0.01 0.18 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.29 2osh s THR 77 N 0.35 0.67 -0.13 3.68 2.01 -0.04 -4.98 115.64 117.20 2osh s THR 77 Ca 0.03 -0.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 2osh s THR 77 Cb -0.12 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 2osh s THR 77 CO 0.00 0.30 1.00 0.00 -0.69 0.00 0.00 174.62 175.23 2osh s LYS 79 N 2.21 3.61 0.71 0.00 1.02 -0.32 -4.97 119.74 122.00 2osh s LYS 79 Ca 0.47 0.27 -0.15 0.00 0.02 0.00 0.00 55.97 56.58 2osh s LYS 79 Cb -0.18 -2.38 0.03 0.00 -0.52 0.00 0.00 37.83 34.78 2osh s LYS 79 CO 0.16 -0.15 1.18 0.20 -0.92 0.00 0.00 175.35 175.81 2osh s GLY 80 N -3.83 2.27 0.00 -3.33 0.00 -1.26 -3.47 107.32 97.70 2osh s GLY 80 Ca 0.48 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.98 2osh s GLY 80 CO 0.41 1.16 0.00 0.61 0.00 0.00 0.00 173.10 175.29 2osh n GLY 81 N 0.12 3.20 3.71 0.20 0.00 -1.26 -5.02 105.19 106.14 2osh n GLY 81 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2osh n GLY 81 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2osh s ASN 82 N -0.80 6.55 1.14 1.61 0.01 -1.23 -5.02 114.94 117.20 2osh s ASN 82 Ca 0.00 2.65 -0.15 0.00 -0.71 0.00 0.00 52.86 54.65 2osh s ASN 82 Cb 0.00 -2.59 0.22 0.00 0.41 0.00 0.00 41.25 39.29 2osh s ASN 82 CO 0.00 -0.86 0.90 -0.46 -1.51 0.00 0.00 177.10 175.17 2osh n ASN 83 N 4.25 -1.33 -0.24 -1.22 0.23 -1.26 -4.62 115.26 111.07 2osh n ASN 83 Ca 0.15 -1.12 -0.04 0.00 -0.53 0.00 0.00 54.58 53.04 2osh n ASN 83 Cb 0.38 -0.78 0.07 0.00 -2.08 0.00 0.00 39.78 37.36 2osh n ASN 83 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2osh h ALA 84 N -2.38 0.87 0.16 -2.53 0.00 -1.99 -0.87 119.26 112.52 2osh h ALA 84 Ca -0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2osh h ALA 84 Cb 0.96 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2osh h ALA 84 CO 0.22 0.20 -0.08 0.00 0.00 0.00 0.00 179.25 179.59 2osh h ALA 86 N 0.42 1.08 -0.20 0.00 0.00 -1.87 -1.32 119.26 117.38 2osh h ALA 86 Ca -0.02 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2osh h ALA 86 Cb 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2osh h ALA 86 CO 0.04 0.17 -0.36 0.00 0.00 0.00 0.00 179.25 179.10 2osh h ALA 87 N 1.39 1.01 -0.09 0.00 0.00 -1.13 -0.05 119.26 120.38 2osh h ALA 87 Ca 0.35 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2osh h ALA 87 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2osh h ALA 87 CO -0.19 0.60 -0.14 0.00 0.00 0.00 0.00 179.25 179.53 2osh h ALA 88 N 1.25 0.14 -0.23 0.00 0.00 -0.97 -2.59 119.26 116.86 2osh h ALA 88 Ca 0.04 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 2osh h ALA 88 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2osh h ALA 88 CO 0.06 0.03 -0.59 0.28 0.00 0.00 0.00 179.25 179.03 2osh h VAL 89 N -0.18 1.29 -0.85 0.00 2.07 -1.16 -1.44 116.25 115.99 2osh h VAL 89 Ca 0.01 -1.81 -0.00 0.00 0.82 0.00 0.00 66.70 65.72 2osh h VAL 89 Cb 0.70 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 2osh h VAL 89 CO 0.03 0.58 0.52 0.00 0.02 0.00 0.00 177.57 178.72 2osh h ASP 91 N 1.16 0.82 -0.32 0.00 3.58 -1.12 0.24 116.42 120.77 2osh h ASP 91 Ca 0.31 -0.32 0.06 0.00 0.42 0.00 0.00 57.03 57.49 2osh h ASP 91 Cb -0.07 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 40.70 2osh h ASP 91 CO -0.06 1.05 -0.01 0.00 -2.88 0.00 0.00 179.24 177.34 2osh h ASP 93 N 0.08 0.81 -0.43 0.00 3.32 -1.00 -2.11 116.42 117.09 2osh h ASP 93 Ca 0.15 -0.59 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 2osh h ASP 93 Cb 0.21 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2osh h ASP 93 CO -0.27 1.26 0.14 -0.09 -1.72 0.00 0.00 179.24 178.56 2osh h ARG 94 N 0.41 0.67 -0.15 3.56 2.43 -0.42 -0.17 114.38 120.69 2osh h ARG 94 Ca -0.02 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 58.89 2osh h ARG 94 Cb 1.18 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 2osh h ARG 94 CO 0.12 0.65 -0.44 -0.07 -1.51 0.00 0.00 179.97 178.72 2osh h LEU 95 N 0.56 0.40 -0.12 3.80 3.38 -1.03 -2.41 115.31 119.88 2osh h LEU 95 Ca 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2osh h LEU 95 Cb 0.25 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2osh h LEU 95 CO -0.01 0.79 -0.09 0.00 0.09 0.00 0.00 178.44 179.22 2osh h ALA 96 N 1.23 0.17 -0.96 1.53 0.00 -1.26 -1.85 119.26 118.12 2osh h ALA 96 Ca 0.02 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2osh h ALA 96 Cb 0.90 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 2osh h ALA 96 CO 0.08 0.00 0.62 0.00 0.00 0.00 0.00 179.25 179.95 2osh h ALA 97 N 0.61 1.27 -0.20 0.00 0.00 -0.92 -0.08 119.26 119.94 2osh h ALA 97 Ca 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2osh h ALA 97 Cb 0.59 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2osh h ALA 97 CO 0.02 0.51 0.12 0.82 0.00 0.00 0.00 179.25 180.72 2osh h ILE 98 N 1.21 1.09 -0.34 0.00 2.04 -1.46 -2.41 117.51 117.65 2osh h ILE 98 Ca 0.38 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 66.06 2osh h ILE 98 Cb -0.00 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2osh h ILE 98 CO -0.12 0.09 0.10 0.00 0.00 0.00 0.00 178.15 178.21 2osh h PHE 100 N 0.23 0.80 -0.55 0.00 -1.00 -0.99 -1.72 116.94 113.71 2osh h PHE 100 Ca 0.15 0.03 0.04 0.00 2.81 0.00 0.00 57.97 61.01 2osh h PHE 100 Cb 0.15 -0.23 -0.04 0.00 3.61 0.00 0.00 35.95 39.43 2osh h PHE 100 CO -0.16 0.23 0.30 0.00 -1.61 0.00 0.00 178.31 177.07 2osh h ALA 101 N 1.53 0.71 -0.01 2.45 0.00 -0.82 -3.05 119.26 120.07 2osh h ALA 101 Ca 0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2osh h ALA 101 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2osh h ALA 101 CO -0.33 -0.02 -0.11 0.41 0.00 0.00 0.00 179.25 179.19 2osh n GLY 102 N -1.26 -0.35 3.87 0.00 0.00 -0.81 -4.91 105.19 101.74 2osh n GLY 102 Ca 0.05 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 2osh n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2osh s ALA 103 N -2.24 3.80 0.50 4.61 0.00 -0.71 -5.08 121.76 122.64 2osh s ALA 103 Ca 0.32 -0.47 -0.22 0.00 0.00 0.00 0.00 51.96 51.58 2osh s ALA 103 Cb 0.20 -2.15 -0.06 0.00 0.00 0.00 0.00 23.12 21.11 2osh s ALA 103 CO 0.42 0.59 1.27 -1.25 0.00 0.00 0.00 175.76 176.79 2osh s PRO 104 N -1.47 3.46 -0.27 0.00 0.04 -1.26 -4.93 135.00 130.57 2osh s PRO 104 Ca 0.25 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.25 2osh s PRO 104 Cb -0.14 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2osh s PRO 104 CO 0.13 -0.86 0.04 -0.47 0.04 0.00 0.00 177.00 175.88 2osh s TYR 105 N -1.41 3.10 -0.28 0.56 6.14 -1.26 -4.35 117.35 119.84 2osh s TYR 105 Ca 0.67 -0.92 -0.07 0.00 0.64 0.00 0.00 57.07 57.38 2osh s TYR 105 Cb -0.35 -2.21 -0.01 0.00 0.42 0.00 0.00 41.96 39.81 2osh s TYR 105 CO 0.42 -0.55 0.08 0.99 0.64 0.00 0.00 175.55 177.13 2osh s THR 106 N 1.50 4.18 0.60 4.34 2.01 -1.26 -5.00 115.64 122.01 2osh s THR 106 Ca 0.04 -0.44 0.30 0.00 0.31 0.00 0.00 61.69 61.91 2osh s THR 106 Cb -0.16 -3.06 0.36 0.00 0.01 0.00 0.00 72.50 69.65 2osh s THR 106 CO 0.01 0.20 2.18 0.44 -0.69 0.00 0.00 174.62 176.75 2osh h ASP 107 N 8.25 0.00 0.54 3.53 3.32 -1.98 -1.37 116.42 128.71 2osh h ASP 107 Ca -0.35 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 2osh h ASP 107 Cb 1.15 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 2osh h ASP 107 CO 0.60 0.00 -0.14 0.00 -1.72 0.00 0.00 179.24 177.98 2osh h ALA 108 N 1.86 1.18 -0.01 3.45 0.00 -2.03 -2.76 119.26 120.95 2osh h ALA 108 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2osh h ALA 108 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2osh h ALA 108 CO -0.00 0.17 -0.27 0.09 0.00 0.00 0.00 179.25 179.24 2osh n ASN 109 N -3.51 1.01 -4.73 0.00 5.03 -0.52 -4.78 115.26 107.76 2osh n ASN 109 Ca -0.01 -0.87 -0.42 0.00 0.87 0.00 0.00 54.58 54.16 2osh n ASN 109 Cb 0.29 0.15 -0.03 0.00 -1.02 0.00 0.00 39.78 39.16 2osh n ASN 109 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 2osh s TYR 110 N -2.52 3.33 -1.22 3.10 5.04 -1.04 -0.96 117.35 123.08 2osh s TYR 110 Ca 0.24 1.25 -0.11 0.00 -2.44 0.00 0.00 57.07 56.00 2osh s TYR 110 Cb 0.19 -3.54 -0.01 0.00 0.35 0.00 0.00 41.96 38.95 2osh s TYR 110 CO 0.53 -1.67 0.72 -1.71 -1.34 0.00 0.00 175.55 172.07 2osh n ASN 111 N 3.04 -3.53 -4.90 4.32 4.05 0.73 -4.93 115.26 114.05 2osh n ASN 111 Ca 0.07 -0.94 -0.29 0.00 0.45 0.00 0.00 54.58 53.88 2osh n ASN 111 Cb 0.44 -3.67 0.01 0.00 1.23 0.00 0.00 39.78 37.79 2osh n ASN 111 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 2osh s ILE 112 N -3.60 4.49 -0.66 -1.44 -4.36 -1.26 -4.99 121.20 109.38 2osh s ILE 112 Ca 0.27 0.40 -0.27 0.00 -0.26 0.00 0.00 60.65 60.80 2osh s ILE 112 Cb -0.09 -3.76 -0.01 0.00 1.25 0.00 0.00 42.46 39.86 2osh s ILE 112 CO 0.84 -0.85 1.70 -0.62 0.24 0.00 0.00 174.94 176.25 2osh s ASP 113 N -4.19 5.52 0.22 4.36 -1.08 -1.26 -4.88 116.67 115.36 2osh s ASP 113 Ca 0.52 0.07 -0.07 0.00 -0.52 0.00 0.00 52.55 52.55 2osh s ASP 113 Cb -0.11 -2.54 0.18 0.00 -1.46 0.00 0.00 42.92 38.99 2osh s ASP 113 CO 0.48 -2.23 1.74 -0.07 0.52 0.00 0.00 175.17 175.61 2osh h LEU 114 N 15.51 1.01 -1.40 -1.34 3.38 -1.94 -1.37 115.31 129.16 2osh h LEU 114 Ca -0.25 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2osh h LEU 114 Cb 1.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2osh h LEU 114 CO 1.24 0.98 -0.05 0.11 0.09 0.00 0.00 178.44 180.80 2osh h LYS 115 N 1.01 0.33 0.01 1.13 1.57 -1.91 -2.02 116.57 116.68 2osh h LYS 115 Ca 0.21 -0.07 -0.33 0.00 -1.87 0.00 0.00 60.65 58.60 2osh h LYS 115 Cb 0.38 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 2osh h LYS 115 CO 0.00 0.40 -1.97 0.00 -0.57 0.00 0.00 179.45 177.31 2osh n ALA 116 N -2.49 1.44 0.34 3.86 0.00 -1.11 -4.60 120.51 117.96 2osh n ALA 116 Ca 0.00 -0.94 0.05 0.00 0.00 0.00 0.00 53.44 52.55 2osh n ALA 116 Cb 0.23 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 2osh n ALA 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2osh n ARG 117 N -3.00 2.54 -2.11 0.00 1.74 -0.53 -4.69 116.66 110.61 2osh n ARG 117 Ca -0.24 -0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 56.56 2osh n ARG 117 Cb 1.08 -1.08 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 2osh n ARG 117 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11