#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fri s PHE 2 N 0.00 3.48 -0.04 0.00 0.40 -1.26 -1.49 117.98 119.07 1fri s PHE 2 Ca 0.00 0.43 0.04 0.00 -0.60 0.00 0.00 56.93 56.80 1fri s PHE 2 Cb 0.00 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1fri s PHE 2 CO 0.00 0.42 -0.15 0.08 0.70 0.00 0.00 175.22 176.27 1fri s VAL 3 N -1.74 1.27 -0.13 -0.44 1.01 0.89 -4.65 120.40 116.62 1fri s VAL 3 Ca 0.39 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1fri s VAL 3 Cb -0.12 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1fri s VAL 3 CO 0.27 0.37 0.54 -0.69 0.00 0.00 0.00 175.10 175.59 1fri s VAL 4 N 0.15 5.14 0.00 2.92 1.01 -1.26 -1.97 120.40 126.38 1fri s VAL 4 Ca -0.05 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1fri s VAL 4 Cb -0.11 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1fri s VAL 4 CO 0.02 0.27 0.00 0.35 0.00 0.00 0.00 175.10 175.74 1fri n THR 5 N 3.89 0.00 -0.30 3.92 -2.24 0.10 -4.89 114.28 114.75 1fri n THR 5 Ca -0.05 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.80 1fri n THR 5 Cb 0.51 -0.58 0.28 0.00 -2.10 0.00 0.00 70.33 68.45 1fri n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1fri h ASP 6 N 0.00 0.83 0.82 3.42 3.58 -1.95 -3.07 116.42 120.06 1fri h ASP 6 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1fri h ASP 6 Cb 0.00 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.90 1fri h ASP 6 CO 0.00 0.49 0.00 -3.20 -2.88 0.00 0.00 179.24 173.65 1fri n ASN 7 N -4.54 0.14 0.03 2.28 5.15 -1.26 -1.59 115.26 115.48 1fri n ASN 7 Ca 0.16 0.52 -0.04 0.00 -0.60 0.00 0.00 54.58 54.62 1fri n ASN 7 Cb 0.31 -0.56 0.17 0.00 -0.53 0.00 0.00 39.78 39.17 1fri n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fri n ILE 9 N -4.06 0.10 -1.07 0.00 5.41 -0.62 -0.79 119.36 118.33 1fri n ILE 9 Ca -0.01 -0.03 -0.02 0.00 1.00 0.00 0.00 62.75 63.69 1fri n ILE 9 Cb 0.47 -1.97 -0.01 0.00 -0.71 0.00 0.00 39.64 37.42 1fri n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1fri n LYS 10 N 3.77 -1.38 0.03 0.38 5.02 -0.56 -4.77 118.16 120.65 1fri n LYS 10 Ca 0.15 0.47 -0.01 0.00 -2.02 0.00 0.00 58.31 56.90 1fri n LYS 10 Cb 0.35 -4.56 -0.00 0.00 -0.02 0.00 0.00 35.03 30.79 1fri n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fri n LYS 12 N -3.36 -0.59 0.21 0.00 4.81 -0.07 -2.60 118.16 116.56 1fri n LYS 12 Ca -0.01 0.26 0.05 0.00 -0.87 0.00 0.00 58.31 57.73 1fri n LYS 12 Cb 0.05 -2.43 0.45 0.00 0.02 0.00 0.00 35.03 33.12 1fri n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1fri h TYR 13 N -2.01 0.00 0.00 5.64 0.05 -1.90 -3.32 116.97 115.44 1fri h TYR 13 Ca -0.70 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.08 1fri h TYR 13 Cb 1.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.15 1fri h TYR 13 CO 0.33 0.28 0.00 0.25 -1.05 0.00 0.00 178.16 177.97 1fri n THR 14 N -4.03 0.00 -0.26 -2.88 -2.24 -1.26 -4.24 114.28 99.37 1fri n THR 14 Ca -0.02 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 61.99 1fri n THR 14 Cb 0.35 -0.92 0.57 0.00 -2.10 0.00 0.00 70.33 68.22 1fri n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1fri h ASP 15 N 0.00 0.31 -0.22 3.42 3.32 -1.89 -1.93 116.42 119.43 1fri h ASP 15 Ca 0.00 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1fri h ASP 15 Cb 0.84 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1fri h ASP 15 CO 0.00 0.10 0.12 0.00 -1.72 0.00 0.00 179.24 177.74 1fri h VAL 17 N 0.35 0.00 -0.45 0.00 -1.51 -1.74 -3.12 116.25 109.78 1fri h VAL 17 Ca 0.09 -0.44 -0.07 0.00 -1.23 0.00 0.00 66.70 65.06 1fri h VAL 17 Cb 0.04 1.33 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 1fri h VAL 17 CO -0.01 0.00 0.00 -0.33 -1.23 0.00 0.00 177.57 176.00 1fri h GLU 18 N 0.00 0.74 -0.00 5.19 3.07 -1.45 -3.13 114.58 119.00 1fri h GLU 18 Ca 0.00 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1fri h GLU 18 Cb 0.56 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1fri h GLU 18 CO 0.00 0.75 -0.37 1.55 -1.40 0.00 0.00 179.01 179.53 1fri n VAL 19 N -4.23 0.00 -2.33 3.13 3.14 -1.18 -4.91 118.33 111.94 1fri n VAL 19 Ca 0.02 -0.05 -0.43 0.00 -2.96 0.00 0.00 64.34 60.93 1fri n VAL 19 Cb 0.29 0.25 -0.02 0.00 -1.06 0.00 0.00 33.84 33.29 1fri n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1fri h PRO 21 N 9.19 0.00 -0.23 0.00 0.13 -1.91 -3.24 132.00 135.94 1fri h PRO 21 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1fri h PRO 21 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1fri h PRO 21 CO 1.00 0.48 0.00 1.33 -0.23 0.00 0.00 178.00 180.57 1fri n VAL 22 N -3.68 0.49 -3.64 1.56 0.24 -1.26 -5.00 118.33 107.04 1fri n VAL 22 Ca -0.01 -0.74 -0.26 0.00 -2.04 0.00 0.00 64.34 61.29 1fri n VAL 22 Cb 0.55 0.91 0.04 0.00 -1.47 0.00 0.00 33.84 33.87 1fri n VAL 22 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1fri n ASN 23 N 0.84 -4.11 -1.85 -1.34 3.02 -1.23 -4.95 115.26 105.65 1fri n ASN 23 Ca 0.12 -0.92 -0.21 0.00 -0.03 0.00 0.00 54.58 53.54 1fri n ASN 23 Cb 0.42 -3.81 0.11 0.00 -0.61 0.00 0.00 39.78 35.90 1fri n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fri s PHE 25 N -3.52 3.60 0.03 0.00 0.40 -1.26 -0.61 117.98 116.62 1fri s PHE 25 Ca 0.54 0.60 0.03 0.00 -0.60 0.00 0.00 56.93 57.50 1fri s PHE 25 Cb 0.45 -2.00 -0.02 0.00 0.51 0.00 0.00 43.02 41.96 1fri s PHE 25 CO 0.02 0.65 -0.10 0.71 0.70 0.00 0.00 175.22 177.19 1fri s TYR 26 N -1.22 0.89 -0.18 0.36 1.51 -0.39 -2.06 117.35 116.26 1fri s TYR 26 Ca 0.24 -0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 55.93 1fri s TYR 26 Cb -0.13 -0.54 -0.02 0.00 -0.11 0.00 0.00 41.96 41.16 1fri s TYR 26 CO 0.13 -0.01 -0.02 -2.00 -1.11 0.00 0.00 175.55 172.54 1fri s GLU 27 N -1.00 3.61 0.45 -0.62 2.12 0.10 -0.99 118.70 122.37 1fri s GLU 27 Ca -0.02 -0.53 0.06 0.00 0.36 0.00 0.00 54.97 54.85 1fri s GLU 27 Cb -0.07 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 1fri s GLU 27 CO 0.01 0.08 0.19 0.20 -0.54 0.00 0.00 175.26 175.20 1fri s GLY 28 N 0.79 2.44 0.30 -1.50 0.00 -0.62 -3.71 107.32 105.02 1fri s GLY 28 Ca -0.00 -1.75 0.05 0.00 0.00 0.00 0.00 44.72 43.02 1fri s GLY 28 CO 0.02 -1.96 1.75 -2.55 0.00 0.00 0.00 173.10 170.36 1fri h PRO 29 N 1.32 0.62 0.00 2.90 0.11 -1.87 -3.28 132.00 131.81 1fri h PRO 29 Ca -0.42 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1fri h PRO 29 Cb 1.27 -0.14 -0.29 0.00 0.11 0.00 0.00 31.00 31.95 1fri h PRO 29 CO 0.69 0.41 -0.84 0.27 -0.21 0.00 0.00 178.00 178.32 1fri n ASN 30 N -4.86 0.59 -3.48 -2.05 0.23 -1.26 -5.03 115.26 99.40 1fri n ASN 30 Ca 0.23 -1.97 -0.12 0.00 -0.53 0.00 0.00 54.58 52.18 1fri n ASN 30 Cb 0.61 -0.21 -0.03 0.00 -2.08 0.00 0.00 39.78 38.06 1fri n ASN 30 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1fri s PHE 31 N 0.00 -0.50 0.12 -2.53 5.36 -1.24 -1.49 117.98 117.69 1fri s PHE 31 Ca 0.24 0.53 0.09 0.00 -0.96 0.00 0.00 56.93 56.83 1fri s PHE 31 Cb 0.27 0.50 -0.04 0.00 -0.34 0.00 0.00 43.02 43.42 1fri s PHE 31 CO -0.12 -0.66 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.31 1fri s LEU 32 N -2.11 2.78 0.27 6.12 1.02 -1.26 -1.60 118.68 123.90 1fri s LEU 32 Ca -0.01 -0.53 0.09 0.00 0.02 0.00 0.00 54.13 53.70 1fri s LEU 32 Cb -0.01 -1.61 -0.05 0.00 0.02 0.00 0.00 46.19 44.54 1fri s LEU 32 CO -0.05 0.18 -0.14 0.68 0.02 0.00 0.00 176.35 177.04 1fri s VAL 33 N -1.18 2.07 -0.18 -1.59 -7.23 -0.16 -4.75 120.40 107.38 1fri s VAL 33 Ca 0.19 -2.27 -0.08 0.00 -1.81 0.00 0.00 61.98 58.01 1fri s VAL 33 Cb -0.11 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1fri s VAL 33 CO 0.11 -0.40 0.09 -0.63 -0.31 0.00 0.00 175.10 173.95 1fri s ILE 34 N -2.75 5.03 -0.19 -0.62 1.01 -1.26 -1.26 121.20 121.16 1fri s ILE 34 Ca 0.28 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.69 1fri s ILE 34 Cb -0.01 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1fri s ILE 34 CO 0.12 0.47 1.06 -2.28 0.00 0.00 0.00 174.94 174.32 1fri s HIS 35 N 0.20 3.32 0.22 3.97 5.65 0.22 -4.54 115.29 124.32 1fri s HIS 35 Ca 0.06 1.44 0.20 0.00 0.25 0.00 0.00 55.06 57.00 1fri s HIS 35 Cb -0.12 -3.28 0.80 0.00 -1.18 0.00 0.00 32.58 28.79 1fri s HIS 35 CO -0.00 -0.59 1.79 -1.00 -0.65 0.00 0.00 174.74 174.29 1fri h PRO 36 N 7.46 0.00 0.00 2.88 0.13 -1.90 -1.82 132.00 138.75 1fri h PRO 36 Ca -0.23 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.69 1fri h PRO 36 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1fri h PRO 36 CO 0.95 0.33 -0.92 -0.44 -0.23 0.00 0.00 178.00 177.69 1fri h ASP 37 N 0.00 0.41 1.29 1.44 3.32 -1.99 -3.29 116.42 117.59 1fri h ASP 37 Ca -0.00 -0.33 -0.08 0.00 0.02 0.00 0.00 57.03 56.63 1fri h ASP 37 Cb 0.79 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1fri h ASP 37 CO 0.04 1.13 -0.74 -0.33 -1.72 0.00 0.00 179.24 177.62 1fri h GLU 38 N 0.17 0.00 -6.77 3.56 5.08 -1.75 -3.45 114.58 111.43 1fri h GLU 38 Ca -0.06 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.77 1fri h GLU 38 Cb 1.55 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.85 1fri h GLU 38 CO 0.15 0.27 0.67 0.00 -1.00 0.00 0.00 179.01 179.10 1fri n ILE 40 N 1.92 0.56 -2.81 0.00 -5.35 -1.26 -4.75 119.36 107.67 1fri n ILE 40 Ca 0.04 -0.78 -0.21 0.00 -0.27 0.00 0.00 62.75 61.54 1fri n ILE 40 Cb 0.42 0.94 0.02 0.00 -1.74 0.00 0.00 39.64 39.28 1fri n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1fri n ASP 41 N 1.50 -5.83 0.03 7.28 8.00 -1.26 -4.89 116.55 121.38 1fri n ASP 41 Ca 0.20 -0.20 0.08 0.00 0.71 0.00 0.00 54.79 55.58 1fri n ASP 41 Cb 0.61 -4.71 0.36 0.00 -0.02 0.00 0.00 41.12 37.36 1fri n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fri n ALA 43 N -1.56 -0.16 0.21 0.00 0.00 -1.26 -4.88 120.51 112.86 1fri n ALA 43 Ca 0.03 0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.73 1fri n ALA 43 Cb 0.19 -1.48 0.44 0.00 0.00 0.00 0.00 19.45 18.61 1fri n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1fri h LEU 44 N 0.00 0.00 -0.50 0.00 4.07 -1.91 -3.19 115.31 113.78 1fri h LEU 44 Ca -0.21 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.65 1fri h LEU 44 Cb 0.96 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.68 1fri h LEU 44 CO 0.31 0.28 -0.44 0.00 -1.08 0.00 0.00 178.44 177.51 1fri h GLU 46 N 0.00 0.00 0.00 0.00 -0.00 -1.89 -1.62 114.58 111.07 1fri h GLU 46 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1fri h GLU 46 Cb 1.13 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.88 1fri h GLU 46 CO 0.06 0.41 -0.02 -1.35 -0.00 0.00 0.00 179.01 178.11 1fri h PRO 47 N 0.00 0.00 0.00 1.06 0.11 -1.79 -3.21 132.00 128.18 1fri h PRO 47 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1fri h PRO 47 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1fri h PRO 47 CO 0.05 0.02 -0.24 0.93 -0.21 0.00 0.00 178.00 178.55 1fri h GLU 48 N 0.00 0.00 -6.27 1.05 4.39 -1.45 -3.46 114.58 108.84 1fri h GLU 48 Ca -0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1fri h GLU 48 Cb 0.46 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1fri h GLU 48 CO 0.00 0.00 1.18 0.00 -1.16 0.00 0.00 179.01 179.03 1fri h PRO 50 N 11.37 0.00 -0.04 0.00 0.11 -1.92 -1.89 132.00 139.62 1fri h PRO 50 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1fri h PRO 50 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1fri h PRO 50 CO 1.00 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 178.97 1fri n ALA 51 N -2.37 2.60 -4.29 -0.75 0.00 -1.26 -4.90 120.51 109.53 1fri n ALA 51 Ca -0.02 -0.35 -0.32 0.00 0.00 0.00 0.00 53.44 52.75 1fri n ALA 51 Cb 0.27 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 1fri n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fri n GLN 52 N -0.24 -1.40 0.00 0.00 1.13 -0.71 -4.84 117.38 111.33 1fri n GLN 52 Ca 0.19 0.16 0.11 0.00 -1.94 0.00 0.00 57.00 55.52 1fri n GLN 52 Cb 0.24 -3.98 0.02 0.00 0.11 0.00 0.00 30.24 26.64 1fri n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fri n ALA 53 N -4.47 4.06 -2.70 -1.58 0.00 -1.26 -4.92 120.51 109.64 1fri n ALA 53 Ca -0.24 -0.48 -0.37 0.00 0.00 0.00 0.00 53.44 52.35 1fri n ALA 53 Cb 0.65 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 1fri n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fri s ILE 54 N -3.05 5.29 0.03 0.00 1.01 -1.26 -0.72 121.20 122.49 1fri s ILE 54 Ca 0.08 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1fri s ILE 54 Cb 0.16 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 1fri s ILE 54 CO 0.80 0.52 -0.08 -0.36 0.00 0.00 0.00 174.94 175.83 1fri s PHE 55 N -0.50 0.69 0.41 3.97 0.40 -0.83 -4.88 117.98 117.24 1fri s PHE 55 Ca 0.18 -0.37 -0.26 0.00 -0.60 0.00 0.00 56.93 55.88 1fri s PHE 55 Cb -0.14 -0.41 -0.09 0.00 0.51 0.00 0.00 43.02 42.89 1fri s PHE 55 CO 0.07 -0.05 1.35 0.45 0.70 0.00 0.00 175.22 177.74 1fri s SER 56 N -1.15 6.20 0.30 1.36 0.15 -1.26 -0.08 113.70 119.21 1fri s SER 56 Ca -0.05 2.76 0.05 0.00 0.70 0.00 0.00 55.95 59.41 1fri s SER 56 Cb -0.08 -2.65 0.75 0.00 -1.71 0.00 0.00 66.02 62.34 1fri s SER 56 CO 0.00 -0.94 1.74 -0.08 1.20 0.00 0.00 173.24 175.16 1fri h GLU 57 N 2.61 0.57 0.00 5.44 4.81 -1.60 0.28 114.58 126.69 1fri h GLU 57 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1fri h GLU 57 Cb 1.25 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1fri h GLU 57 CO 0.62 0.37 0.00 -0.40 -0.73 0.00 0.00 179.01 178.88 1fri n ASP 58 N -4.90 0.00 -0.18 1.04 5.68 -1.26 -2.64 116.55 114.29 1fri n ASP 58 Ca 0.23 -0.28 0.02 0.00 -0.50 0.00 0.00 54.79 54.26 1fri n ASP 58 Cb 0.63 -0.19 0.03 0.00 -1.14 0.00 0.00 41.12 40.45 1fri n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1fri n GLU 59 N -1.19 1.29 -1.73 0.11 1.02 0.96 -5.01 120.64 116.09 1fri n GLU 59 Ca 0.13 -1.21 -0.42 0.00 -0.02 0.00 0.00 57.16 55.64 1fri n GLU 59 Cb 0.15 -1.08 -0.03 0.00 -0.02 0.00 0.00 31.44 30.46 1fri n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1fri s VAL 60 N -0.66 2.08 0.62 2.62 1.01 -1.07 -4.88 120.40 120.11 1fri s VAL 60 Ca 0.06 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 1fri s VAL 60 Cb 0.04 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1fri s VAL 60 CO 0.05 0.00 0.93 -2.65 0.00 0.00 0.00 175.10 173.43 1fri n PRO 61 N 4.19 0.80 -0.31 2.72 -0.02 -1.26 -4.83 135.00 136.29 1fri n PRO 61 Ca 0.16 0.32 0.06 0.00 -2.02 0.00 0.00 63.50 62.02 1fri n PRO 61 Cb 0.35 -2.14 0.21 0.00 -0.02 0.00 0.00 33.50 31.91 1fri n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1fri h GLU 62 N 0.33 0.73 0.00 -0.52 4.22 -2.01 0.31 114.58 117.65 1fri h GLU 62 Ca -0.48 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.91 1fri h GLU 62 Cb 1.37 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1fri h GLU 62 CO 0.50 0.49 0.00 -0.40 -2.18 0.00 0.00 179.01 177.41 1fri n ASP 63 N -4.77 0.00 -0.11 1.04 5.75 -1.26 -2.80 116.55 114.39 1fri n ASP 63 Ca 0.16 -1.73 0.06 0.00 -0.01 0.00 0.00 54.79 53.27 1fri n ASP 63 Cb 0.37 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.54 1fri n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1fri n MET 64 N -0.59 1.43 0.33 0.11 2.81 0.09 -4.83 117.12 116.48 1fri n MET 64 Ca 0.04 -2.01 0.21 0.00 -1.81 0.00 0.00 57.70 54.12 1fri n MET 64 Cb 0.02 -1.20 1.12 0.00 -0.71 0.00 0.00 33.22 32.45 1fri n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1fri h GLN 65 N 0.00 0.00 -0.21 0.03 1.08 -1.44 -1.16 115.11 113.41 1fri h GLN 65 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1fri h GLN 65 Cb 0.94 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.36 1fri h GLN 65 CO 0.00 0.00 0.05 0.93 -0.95 0.00 0.00 178.83 178.87 1fri h GLU 66 N 0.00 0.29 0.00 1.46 3.07 -1.88 -2.64 114.58 114.89 1fri h GLU 66 Ca -0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1fri h GLU 66 Cb 0.04 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1fri h GLU 66 CO 0.00 0.27 -0.01 0.74 -1.40 0.00 0.00 179.01 178.62 1fri h PHE 67 N 0.29 0.00 0.32 4.33 0.04 -1.56 -2.26 116.94 118.11 1fri h PHE 67 Ca 0.07 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 1fri h PHE 67 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1fri h PHE 67 CO 0.00 0.01 -0.15 0.82 -0.60 0.00 0.00 178.31 178.38 1fri h ILE 68 N 0.00 0.70 -0.07 -0.55 2.04 -1.65 -0.03 117.51 117.96 1fri h ILE 68 Ca -0.00 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.39 1fri h ILE 68 Cb 0.45 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1fri h ILE 68 CO 0.00 0.07 -0.47 -0.61 0.00 0.00 0.00 178.15 177.15 1fri h GLN 69 N -0.63 0.16 -0.35 2.37 4.15 -1.70 -2.79 115.11 116.32 1fri h GLN 69 Ca -0.04 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.30 1fri h GLN 69 Cb 0.45 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1fri h GLN 69 CO 0.07 0.60 0.21 1.25 -1.93 0.00 0.00 178.83 179.03 1fri h LEU 70 N 0.13 0.34 -0.93 -2.39 6.46 -1.09 -1.72 115.31 116.11 1fri h LEU 70 Ca 0.01 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.81 1fri h LEU 70 Cb 0.88 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.68 1fri h LEU 70 CO 0.07 0.25 0.60 0.78 -0.62 0.00 0.00 178.44 179.52 1fri h ASN 71 N 0.42 0.99 -0.19 1.25 -0.26 -0.74 -0.69 115.58 116.35 1fri h ASN 71 Ca 0.14 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.86 1fri h ASN 71 Cb -0.00 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.03 1fri h ASN 71 CO -0.06 0.66 0.06 0.00 -1.06 0.00 0.00 177.43 177.03 1fri h ALA 72 N 1.40 0.25 -0.22 -0.83 0.00 -1.24 -2.13 119.26 116.48 1fri h ALA 72 Ca 0.38 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1fri h ALA 72 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1fri h ALA 72 CO -0.14 -0.13 -0.11 0.93 0.00 0.00 0.00 179.25 179.80 1fri h GLU 73 N 0.14 0.47 0.00 0.00 4.39 -1.19 -3.21 114.58 115.17 1fri h GLU 73 Ca 0.06 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 1fri h GLU 73 Cb 0.22 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1fri h GLU 73 CO -0.00 0.75 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.41 1fri h LEU 74 N 0.18 0.00 -1.33 1.33 3.38 -1.14 -2.73 115.31 115.00 1fri h LEU 74 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1fri h LEU 74 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1fri h LEU 74 CO 0.03 0.11 -0.19 0.00 0.09 0.00 0.00 178.44 178.49 1fri h ALA 75 N 1.89 1.07 0.00 1.53 0.00 -1.39 -0.07 119.26 122.30 1fri h ALA 75 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1fri h ALA 75 Cb 0.83 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1fri h ALA 75 CO 0.01 0.24 0.00 0.93 0.00 0.00 0.00 179.25 180.43 1fri h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.51 -3.36 114.58 114.09 1fri h GLU 76 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1fri h GLU 76 Cb 0.64 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1fri h GLU 76 CO 0.02 0.00 -1.34 1.33 -1.16 0.00 0.00 179.01 177.87 1fri n VAL 77 N -2.98 0.08 -3.07 3.13 0.24 -0.20 -5.04 118.33 110.49 1fri n VAL 77 Ca 0.03 -0.18 -0.31 0.00 -2.04 0.00 0.00 64.34 61.84 1fri n VAL 77 Cb 0.43 0.13 -0.04 0.00 -1.47 0.00 0.00 33.84 32.89 1fri n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1fri s TRP 78 N -2.42 3.43 0.40 6.34 0.51 -0.26 -5.07 118.94 121.87 1fri s TRP 78 Ca -0.03 1.03 -0.24 0.00 -2.12 0.00 0.00 56.10 54.75 1fri s TRP 78 Cb 0.04 -2.41 -0.09 0.00 -0.81 0.00 0.00 33.47 30.20 1fri s TRP 78 CO 0.28 0.04 1.03 -1.25 -0.51 0.00 0.00 176.95 176.54 1fri s PRO 79 N -3.40 4.18 0.33 4.98 0.04 -1.24 -4.60 135.00 135.29 1fri s PRO 79 Ca 0.51 1.47 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 1fri s PRO 79 Cb -0.10 -2.52 -0.11 0.00 0.04 0.00 0.00 34.50 31.81 1fri s PRO 79 CO 0.25 -0.11 1.51 1.21 0.04 0.00 0.00 177.00 179.90 1fri s ASN 80 N -1.62 6.41 -0.11 6.66 3.04 -1.26 0.01 114.94 128.06 1fri s ASN 80 Ca 0.58 2.95 0.03 0.00 0.04 0.00 0.00 52.86 56.46 1fri s ASN 80 Cb -0.21 -2.65 -0.00 0.00 -1.54 0.00 0.00 41.25 36.85 1fri s ASN 80 CO 0.26 -0.85 -0.22 -0.51 -3.04 0.00 0.00 177.10 172.74 1fri s ILE 81 N -0.56 2.23 -0.02 -5.21 2.07 -0.87 -4.78 121.20 114.05 1fri s ILE 81 Ca 0.57 -0.95 0.00 0.00 -1.41 0.00 0.00 60.65 58.87 1fri s ILE 81 Cb -0.46 -1.88 -0.00 0.00 0.13 0.00 0.00 42.46 40.25 1fri s ILE 81 CO 0.54 0.55 0.17 0.35 -1.91 0.00 0.00 174.94 174.65 1fri n THR 82 N 3.62 0.00 -5.15 4.00 -2.24 -1.26 -4.48 114.28 108.77 1fri n THR 82 Ca -0.19 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.79 1fri n THR 82 Cb 0.53 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.59 1fri n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1fri s GLU 83 N -0.71 2.80 0.67 -0.78 2.02 -1.26 -4.85 118.70 116.59 1fri s GLU 83 Ca 0.00 -0.83 -0.17 0.00 0.02 0.00 0.00 54.97 54.00 1fri s GLU 83 Cb 0.00 -2.16 -0.06 0.00 0.10 0.00 0.00 34.13 32.01 1fri s GLU 83 CO 0.01 0.20 0.48 1.17 0.02 0.00 0.00 175.26 177.14 1fri n LYS 84 N 3.46 0.36 -2.94 1.61 4.81 -1.26 -5.02 118.16 119.18 1fri n LYS 84 Ca -0.19 0.16 -0.08 0.00 -0.87 0.00 0.00 58.31 57.32 1fri n LYS 84 Cb 0.53 -1.75 -0.02 0.00 0.02 0.00 0.00 35.03 33.81 1fri n LYS 84 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1fri n LYS 85 N -0.37 0.31 -2.06 1.64 2.85 -1.26 -5.11 118.16 114.15 1fri n LYS 85 Ca 0.10 -1.54 -0.33 0.00 -1.05 0.00 0.00 58.31 55.49 1fri n LYS 85 Cb 0.49 1.40 0.01 0.00 -0.65 0.00 0.00 35.03 36.28 1fri n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1fri s ASP 86 N -2.15 5.72 0.62 -5.58 1.01 -1.26 -4.71 116.67 110.32 1fri s ASP 86 Ca 0.17 1.89 -0.18 0.00 0.71 0.00 0.00 52.55 55.14 1fri s ASP 86 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 1fri s ASP 86 CO 0.12 -1.21 1.18 -2.84 0.21 0.00 0.00 175.17 172.63 1fri s PRO 87 N -3.93 2.84 0.66 8.23 0.02 -1.26 -4.88 135.00 136.67 1fri s PRO 87 Ca 0.65 1.71 -0.17 0.00 0.02 0.00 0.00 61.00 63.21 1fri s PRO 87 Cb -0.17 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.39 1fri s PRO 87 CO 0.35 -1.28 0.90 1.28 -0.33 0.00 0.00 177.00 177.92 1fri n LEU 88 N -1.90 3.24 -0.29 -5.54 4.77 -1.07 -4.85 117.00 111.36 1fri n LEU 88 Ca 0.13 0.72 -0.04 0.00 -0.03 0.00 0.00 56.01 56.79 1fri n LEU 88 Cb 0.50 -1.37 0.10 0.00 -2.33 0.00 0.00 43.42 40.33 1fri n LEU 88 CO 0.45 -2.12 1.12 -0.65 -1.33 0.00 0.00 177.39 174.86 1fri h PRO 89 N 0.09 1.18 -0.77 3.23 0.11 -1.91 0.65 132.00 134.60 1fri h PRO 89 Ca -0.48 -0.17 -0.39 0.00 0.11 0.00 0.00 66.00 65.08 1fri h PRO 89 Cb 1.35 -0.22 -0.23 0.00 0.11 0.00 0.00 31.00 32.02 1fri h PRO 89 CO 0.48 0.90 0.39 -0.25 -0.21 0.00 0.00 178.00 179.31 1fri n ASP 90 N -4.31 3.42 0.01 -2.05 9.92 -1.26 -4.78 116.55 117.49 1fri n ASP 90 Ca 0.08 -3.63 0.12 0.00 -0.53 0.00 0.00 54.79 50.83 1fri n ASP 90 Cb 0.14 -0.77 0.55 0.00 -0.64 0.00 0.00 41.12 40.40 1fri n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fri h ALA 91 N 1.13 2.06 -0.00 2.24 0.00 -1.03 -2.49 119.26 121.16 1fri h ALA 91 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1fri h ALA 91 Cb 2.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.17 1fri h ALA 91 CO 0.85 -0.16 -0.48 -0.85 0.00 0.00 0.00 179.25 178.60 1fri n GLU 92 N -4.47 0.03 -0.13 0.00 -0.00 -1.26 -1.61 120.64 113.19 1fri n GLU 92 Ca 0.06 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.16 57.14 1fri n GLU 92 Cb 0.32 -1.50 0.09 0.00 -0.00 0.00 0.00 31.44 30.35 1fri n GLU 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1fri h ASP 93 N 0.04 0.86 0.80 -1.84 3.32 -1.84 -3.17 116.42 114.58 1fri h ASP 93 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1fri h ASP 93 Cb 0.50 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1fri h ASP 93 CO 0.00 0.97 -0.45 0.79 -1.72 0.00 0.00 179.24 178.83 1fri n TRP 94 N -4.16 0.31 -1.85 4.55 7.02 -1.16 -4.72 117.44 117.43 1fri n TRP 94 Ca 0.02 0.09 -0.41 0.00 -1.02 0.00 0.00 57.50 56.17 1fri n TRP 94 Cb 0.37 -0.51 -0.03 0.00 -2.42 0.00 0.00 31.31 28.72 1fri n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1fri s ASP 95 N -3.65 5.48 0.00 -0.99 -1.08 -0.64 -1.90 116.67 113.90 1fri s ASP 95 Ca 0.09 1.26 0.00 0.00 -0.52 0.00 0.00 52.55 53.39 1fri s ASP 95 Cb 0.16 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1fri s ASP 95 CO 0.68 -2.04 0.00 0.61 0.52 0.00 0.00 175.17 174.94 1fri n GLY 96 N 5.63 0.83 3.73 2.66 0.00 -1.26 -5.02 105.19 111.77 1fri n GLY 96 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1fri n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fri s VAL 97 N -2.00 3.19 0.49 1.61 1.01 -0.80 -5.01 120.40 118.89 1fri s VAL 97 Ca 0.00 0.93 -0.04 0.00 0.00 0.00 0.00 61.98 62.87 1fri s VAL 97 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1fri s VAL 97 CO 0.00 0.12 0.77 -1.59 0.00 0.00 0.00 175.10 174.40 1fri s LYS 98 N 0.30 3.34 -0.05 2.72 -2.85 -1.26 -4.48 119.74 117.45 1fri s LYS 98 Ca 0.60 0.02 -0.00 0.00 -1.00 0.00 0.00 55.97 55.58 1fri s LYS 98 Cb -0.37 -2.40 0.00 0.00 -2.06 0.00 0.00 37.83 33.00 1fri s LYS 98 CO 0.36 -0.29 0.00 0.41 0.10 0.00 0.00 175.35 175.93 1fri n GLY 99 N -2.27 0.35 0.02 0.59 0.00 -1.26 -4.95 105.19 97.67 1fri n GLY 99 Ca 0.01 -0.87 0.14 0.00 0.00 0.00 0.00 46.02 45.31 1fri n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fri n LYS 100 N -1.05 0.34 0.09 1.61 5.02 -1.26 -3.92 118.16 119.00 1fri n LYS 100 Ca -0.01 -0.03 0.17 0.00 -2.02 0.00 0.00 58.31 56.42 1fri n LYS 100 Cb 0.50 -1.50 0.70 0.00 -0.02 0.00 0.00 35.03 34.72 1fri n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1fri h LEU 101 N 0.08 0.00 -0.35 -0.35 5.85 -1.92 0.12 115.31 118.73 1fri h LEU 101 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1fri h LEU 101 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1fri h LEU 101 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1fri n GLN 102 N -4.31 0.11 0.00 1.25 10.64 -1.25 -2.19 117.38 121.64 1fri n GLN 102 Ca 0.06 0.32 0.12 0.00 -1.83 0.00 0.00 57.00 55.67 1fri n GLN 102 Cb 0.45 -1.71 0.09 0.00 -0.86 0.00 0.00 30.24 28.21 1fri n GLN 102 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1fri n HIS 103 N -1.92 0.00 -1.85 2.61 8.25 0.41 -5.01 115.22 117.71 1fri n HIS 103 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 1fri n HIS 103 Cb 0.22 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 1fri n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1fri s LEU 104 N -2.17 4.35 -0.08 2.41 2.96 -0.93 -4.95 118.68 120.27 1fri s LEU 104 Ca 0.25 2.90 0.03 0.00 -0.22 0.00 0.00 54.13 57.09 1fri s LEU 104 Cb 0.19 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.22 1fri s LEU 104 CO 0.40 -0.84 -0.17 -1.61 -1.32 0.00 0.00 176.35 172.82 1fri s GLU 105 N -0.95 2.80 0.00 1.98 2.02 -1.26 -5.11 118.70 118.19 1fri s GLU 105 Ca 0.59 -0.75 0.32 0.00 0.02 0.00 0.00 54.97 55.15 1fri s GLU 105 Cb -0.46 -2.40 1.84 0.00 0.10 0.00 0.00 34.13 33.21 1fri s GLU 105 CO 0.51 0.43 2.19 -2.13 0.02 0.00 0.00 175.26 176.28