#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h98 s HIS 2 N 0.00 3.47 -0.03 0.54 3.76 -1.26 -1.02 115.29 120.75 1h98 s HIS 2 Ca 0.00 0.11 0.02 0.00 -0.15 0.00 0.00 55.06 55.04 1h98 s HIS 2 Cb 0.00 -1.67 0.00 0.00 1.11 0.00 0.00 32.58 32.03 1h98 s HIS 2 CO 0.00 0.44 -0.09 0.08 -0.85 0.00 0.00 174.74 174.33 1h98 s VAL 3 N -1.89 0.76 -0.26 -0.90 1.01 0.48 -4.74 120.40 114.86 1h98 s VAL 3 Ca 0.35 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 1h98 s VAL 3 Cb -0.10 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 1h98 s VAL 3 CO 0.29 0.24 0.59 -0.63 0.00 0.00 0.00 175.10 175.60 1h98 s ILE 4 N 0.24 5.01 0.00 2.22 1.01 -1.26 -1.85 121.20 126.57 1h98 s ILE 4 Ca -0.04 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1h98 s ILE 4 Cb -0.09 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1h98 s ILE 4 CO 0.01 0.03 0.00 0.00 0.00 0.00 0.00 174.94 174.98 1h98 h GLU 6 N 0.00 0.04 -0.38 0.00 4.81 -1.92 -2.83 114.58 114.29 1h98 h GLU 6 Ca 0.00 -0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1h98 h GLU 6 Cb 0.00 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1h98 h GLU 6 CO 0.00 0.03 0.52 -1.35 -0.73 0.00 0.00 179.01 177.47 1h98 h PRO 7 N 0.04 0.00 -0.08 0.92 0.11 -1.88 -1.33 132.00 129.78 1h98 h PRO 7 Ca 0.56 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.58 1h98 h PRO 7 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1h98 h PRO 7 CO -0.86 0.00 -0.35 0.00 -0.21 0.00 0.00 178.00 176.58 1h98 s ILE 9 N -4.26 2.51 0.00 0.00 1.01 -0.51 -0.95 121.20 118.99 1h98 s ILE 9 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1h98 s ILE 9 Cb 0.14 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1h98 s ILE 9 CO 0.75 0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.30 1h98 n GLY 10 N 4.12 0.96 1.09 6.18 0.00 -1.25 -4.82 105.19 111.47 1h98 n GLY 10 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1h98 n GLY 10 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h98 n VAL 11 N -2.00 1.17 -4.16 1.61 0.31 -0.16 -5.04 118.33 110.06 1h98 n VAL 11 Ca 0.00 0.39 -0.32 0.00 -0.01 0.00 0.00 64.34 64.40 1h98 n VAL 11 Cb 0.00 -1.54 -0.06 0.00 -0.91 0.00 0.00 33.84 31.33 1h98 n VAL 11 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1h98 n LYS 12 N -3.49 -1.45 -0.36 5.55 5.02 -0.13 -4.84 118.16 118.46 1h98 n LYS 12 Ca 0.00 0.18 0.03 0.00 -2.02 0.00 0.00 58.31 56.51 1h98 n LYS 12 Cb 0.01 -3.69 0.19 0.00 -0.02 0.00 0.00 35.03 31.52 1h98 n LYS 12 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1h98 h ASP 13 N -1.94 1.02 0.00 4.39 3.58 -1.96 -3.47 116.42 118.04 1h98 h ASP 13 Ca -0.66 0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.80 1h98 h ASP 13 Cb 1.39 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1h98 h ASP 13 CO 0.65 0.64 0.00 0.00 -2.88 0.00 0.00 179.24 177.65 1h98 n GLN 14 N -4.51 -0.27 0.25 0.28 6.02 -1.26 -4.89 117.38 113.01 1h98 n GLN 14 Ca 0.16 0.07 0.09 0.00 -0.01 0.00 0.00 57.00 57.30 1h98 n GLN 14 Cb 0.20 -3.27 0.66 0.00 1.02 0.00 0.00 30.24 28.85 1h98 n GLN 14 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1h98 h SER 15 N 0.00 0.00 -0.27 1.08 0.02 -1.91 -1.72 113.55 110.75 1h98 h SER 15 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1h98 h SER 15 Cb 0.14 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1h98 h SER 15 CO 0.00 0.09 0.08 0.00 -1.14 0.00 0.00 176.83 175.86 1h98 h VAL 17 N 0.50 1.22 0.00 0.00 2.07 -1.68 -2.88 116.25 115.47 1h98 h VAL 17 Ca 0.12 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1h98 h VAL 17 Cb 0.20 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1h98 h VAL 17 CO -0.00 0.23 0.00 -1.84 0.02 0.00 0.00 177.57 175.98 1h98 n GLU 18 N -4.50 0.21 -0.00 1.57 0.28 -1.11 -3.23 120.64 113.87 1h98 n GLU 18 Ca 0.07 0.37 0.09 0.00 -0.16 0.00 0.00 57.16 57.52 1h98 n GLU 18 Cb 0.07 -1.85 -0.10 0.00 1.43 0.00 0.00 31.44 30.98 1h98 n GLU 18 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1h98 n VAL 19 N -2.24 0.00 -2.31 3.84 0.24 -1.10 -4.93 118.33 111.82 1h98 n VAL 19 Ca 0.03 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.34 61.81 1h98 n VAL 19 Cb 0.28 0.95 -0.02 0.00 -1.47 0.00 0.00 33.84 33.58 1h98 n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h98 h PRO 21 N 9.64 0.00 -0.16 0.00 0.13 -1.91 -2.79 132.00 136.91 1h98 h PRO 21 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1h98 h PRO 21 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1h98 h PRO 21 CO 1.01 0.08 0.00 1.33 -0.23 0.00 0.00 178.00 180.20 1h98 n VAL 22 N -3.87 0.28 -3.86 1.56 0.24 -1.26 -5.01 118.33 106.42 1h98 n VAL 22 Ca -0.02 -0.64 -0.26 0.00 -2.04 0.00 0.00 64.34 61.37 1h98 n VAL 22 Cb 0.18 1.10 -0.00 0.00 -1.47 0.00 0.00 33.84 33.65 1h98 n VAL 22 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1h98 n GLU 23 N 0.93 -3.15 -0.74 7.34 1.02 -1.06 -4.90 120.64 120.09 1h98 n GLU 23 Ca 0.12 0.45 0.03 0.00 -0.02 0.00 0.00 57.16 57.73 1h98 n GLU 23 Cb 0.43 -4.54 0.30 0.00 -0.02 0.00 0.00 31.44 27.61 1h98 n GLU 23 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h98 s ILE 25 N -2.91 3.87 0.21 0.00 1.01 -1.26 -1.22 121.20 120.90 1h98 s ILE 25 Ca 0.49 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 60.86 1h98 s ILE 25 Cb 0.39 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 1h98 s ILE 25 CO 0.11 0.34 -0.17 -0.31 0.00 0.00 0.00 174.94 174.91 1h98 s TYR 26 N 1.54 1.91 -0.16 3.97 2.02 -0.06 -4.92 117.35 121.65 1h98 s TYR 26 Ca 0.06 -0.48 -0.29 0.00 -0.37 0.00 0.00 57.07 55.99 1h98 s TYR 26 Cb -0.15 -0.89 -0.02 0.00 -0.40 0.00 0.00 41.96 40.50 1h98 s TYR 26 CO 0.01 0.44 1.37 0.34 -1.57 0.00 0.00 175.55 176.14 1h98 s ASP 27 N -3.14 6.82 -0.13 2.29 -1.08 -1.26 -0.31 116.67 119.86 1h98 s ASP 27 Ca 0.22 1.76 0.15 0.00 -0.52 0.00 0.00 52.55 54.16 1h98 s ASP 27 Cb -0.04 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.38 1h98 s ASP 27 CO 0.09 -0.86 1.40 0.61 0.52 0.00 0.00 175.17 176.93 1h98 n GLY 28 N 3.86 3.65 0.97 2.66 0.00 0.78 -4.91 105.19 112.20 1h98 n GLY 28 Ca 0.15 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1h98 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h98 n GLY 29 N -0.17 0.77 0.00 -0.02 0.00 -1.26 -4.36 105.19 100.14 1h98 n GLY 29 Ca 0.19 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.75 1h98 n GLY 29 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h98 n ASP 30 N 3.25 0.01 -3.64 1.61 5.75 -1.26 -4.88 116.55 117.39 1h98 n ASP 30 Ca 0.00 0.50 -0.07 0.00 -0.01 0.00 0.00 54.79 55.21 1h98 n ASP 30 Cb 0.00 -0.50 -0.02 0.00 -1.03 0.00 0.00 41.12 39.57 1h98 n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1h98 s GLN 31 N -3.00 1.17 0.50 0.11 -2.07 -1.26 -3.78 119.66 111.33 1h98 s GLN 31 Ca 0.13 -0.56 -0.04 0.00 -1.82 0.00 0.00 55.36 53.07 1h98 s GLN 31 Cb 0.18 0.45 -0.02 0.00 -1.09 0.00 0.00 33.01 32.53 1h98 s GLN 31 CO 0.49 -0.53 0.78 -0.06 -1.32 0.00 0.00 175.29 174.66 1h98 s PHE 32 N -3.39 3.40 0.05 9.60 0.40 -1.26 -0.15 117.98 126.63 1h98 s PHE 32 Ca 0.08 0.62 -0.02 0.00 -0.60 0.00 0.00 56.93 57.01 1h98 s PHE 32 Cb -0.02 -2.41 -0.03 0.00 0.51 0.00 0.00 43.02 41.07 1h98 s PHE 32 CO -0.03 -0.43 0.01 1.52 0.70 0.00 0.00 175.22 176.99 1h98 s TYR 33 N -2.75 0.44 -0.21 0.36 -0.85 0.58 -4.77 117.35 110.15 1h98 s TYR 33 Ca 0.49 -0.95 -0.07 0.00 -0.52 0.00 0.00 57.07 56.01 1h98 s TYR 33 Cb -0.10 -0.32 -0.04 0.00 0.38 0.00 0.00 41.96 41.88 1h98 s TYR 33 CO 0.43 -0.39 0.06 0.42 -1.52 0.00 0.00 175.55 174.55 1h98 s ILE 34 N -3.74 4.57 -0.28 -3.49 1.01 -1.26 -0.88 121.20 117.13 1h98 s ILE 34 Ca 0.05 -0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.31 1h98 s ILE 34 Cb 0.06 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 1h98 s ILE 34 CO -0.09 0.40 1.41 -2.28 0.00 0.00 0.00 174.94 174.38 1h98 s HIS 35 N 0.92 2.48 0.29 3.97 5.65 -0.35 -4.76 115.29 123.48 1h98 s HIS 35 Ca 0.04 0.75 0.01 0.00 0.25 0.00 0.00 55.06 56.11 1h98 s HIS 35 Cb -0.14 -3.95 0.54 0.00 -1.18 0.00 0.00 32.58 27.86 1h98 s HIS 35 CO 0.03 -2.13 1.86 -1.35 -0.65 0.00 0.00 174.74 172.49 1h98 h PRO 36 N 9.84 0.98 0.00 2.88 0.11 -1.89 -1.17 132.00 142.76 1h98 h PRO 36 Ca -0.29 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1h98 h PRO 36 Cb 1.12 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1h98 h PRO 36 CO 1.02 0.65 0.00 0.39 -0.21 0.00 0.00 178.00 179.86 1h98 n GLU 37 N -4.58 0.24 -0.09 1.05 -0.58 -1.26 -3.89 120.64 111.53 1h98 n GLU 37 Ca 0.18 0.24 -0.11 0.00 -0.42 0.00 0.00 57.16 57.05 1h98 n GLU 37 Cb 0.31 -1.81 -0.13 0.00 -0.57 0.00 0.00 31.44 29.25 1h98 n GLU 37 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1h98 n GLU 38 N -2.24 0.96 -1.68 3.49 1.02 -0.80 -4.99 120.64 116.41 1h98 n GLU 38 Ca 0.05 0.04 -0.45 0.00 -0.02 0.00 0.00 57.16 56.77 1h98 n GLU 38 Cb 0.40 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.33 1h98 n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h98 n ILE 40 N 3.31 0.59 -3.40 0.00 -5.35 -1.26 -4.82 119.36 108.43 1h98 n ILE 40 Ca 0.16 -0.80 -0.24 0.00 -0.27 0.00 0.00 62.75 61.60 1h98 n ILE 40 Cb 0.30 0.91 0.05 0.00 -1.74 0.00 0.00 39.64 39.16 1h98 n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1h98 n ASP 41 N 1.54 -5.99 0.23 7.28 8.00 -1.26 -4.90 116.55 121.46 1h98 n ASP 41 Ca 0.20 -0.46 0.13 0.00 0.71 0.00 0.00 54.79 55.37 1h98 n ASP 41 Cb 0.62 -4.77 0.39 0.00 -0.02 0.00 0.00 41.12 37.33 1h98 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h98 n GLY 43 N 0.58 1.39 0.32 0.00 0.00 -1.26 -4.91 105.19 101.30 1h98 n GLY 43 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1h98 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h98 h ALA 44 N 0.00 2.09 0.00 4.61 0.00 -1.91 -2.25 119.26 121.80 1h98 h ALA 44 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1h98 h ALA 44 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1h98 h ALA 44 CO 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 179.25 178.95 1h98 h VAL 46 N 0.00 0.44 0.00 0.00 2.07 -1.72 -2.81 116.25 114.22 1h98 h VAL 46 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1h98 h VAL 46 Cb 0.67 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1h98 h VAL 46 CO 0.02 0.00 -0.09 1.55 0.02 0.00 0.00 177.57 179.07 1h98 h PRO 47 N -0.69 0.00 0.00 1.57 0.13 -1.76 -3.12 132.00 128.13 1h98 h PRO 47 Ca -0.05 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.00 1h98 h PRO 47 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1h98 h PRO 47 CO 0.06 0.09 -0.39 0.00 -0.23 0.00 0.00 178.00 177.53 1h98 h ALA 48 N 1.91 1.15 -1.98 -0.56 0.00 -1.63 -3.43 119.26 114.71 1h98 h ALA 48 Ca -0.00 -0.35 -0.57 0.00 0.00 0.00 0.00 54.91 53.98 1h98 h ALA 48 Cb 0.50 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1h98 h ALA 48 CO 0.01 0.49 0.88 0.00 0.00 0.00 0.00 179.25 180.62 1h98 h PRO 50 N 8.32 0.00 -0.41 0.00 0.13 -1.90 -2.56 132.00 135.57 1h98 h PRO 50 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1h98 h PRO 50 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1h98 h PRO 50 CO 1.02 0.01 0.00 1.33 -0.23 0.00 0.00 178.00 180.13 1h98 n VAL 51 N -3.16 1.74 -3.92 1.56 0.24 -1.26 -4.98 118.33 108.55 1h98 n VAL 51 Ca -0.02 -1.38 -0.29 0.00 -2.04 0.00 0.00 64.34 60.62 1h98 n VAL 51 Cb 0.17 0.11 0.02 0.00 -1.47 0.00 0.00 33.84 32.66 1h98 n VAL 51 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1h98 n ASN 52 N 0.34 -3.67 0.15 -1.34 3.02 -0.97 -4.83 115.26 107.97 1h98 n ASN 52 Ca 0.20 -0.83 0.12 0.00 -0.03 0.00 0.00 54.58 54.04 1h98 n ASN 52 Cb 0.75 -3.71 0.20 0.00 -0.61 0.00 0.00 39.78 36.41 1h98 n ASN 52 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h98 h ALA 53 N 0.93 0.86 -3.20 5.41 0.00 -1.91 -3.46 119.26 117.89 1h98 h ALA 53 Ca -0.59 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.72 1h98 h ALA 53 Cb 1.37 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 1h98 h ALA 53 CO 0.66 0.00 -0.43 0.42 0.00 0.00 0.00 179.25 179.91 1h98 s ILE 54 N -3.20 5.37 0.03 0.00 1.01 -1.26 -0.33 121.20 122.82 1h98 s ILE 54 Ca 0.07 0.32 0.02 0.00 0.00 0.00 0.00 60.65 61.06 1h98 s ILE 54 Cb 0.09 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1h98 s ILE 54 CO 0.68 0.42 -0.07 -0.31 0.00 0.00 0.00 174.94 175.66 1h98 s TYR 55 N 0.44 0.59 0.51 3.97 1.51 -0.77 -4.83 117.35 118.77 1h98 s TYR 55 Ca 0.11 -0.37 -0.22 0.00 -1.01 0.00 0.00 57.07 55.58 1h98 s TYR 55 Cb -0.12 -0.36 -0.06 0.00 -0.11 0.00 0.00 41.96 41.31 1h98 s TYR 55 CO 0.00 -0.06 1.23 -2.14 -1.11 0.00 0.00 175.55 173.47 1h98 s PRO 56 N -1.13 3.43 0.29 -1.71 0.02 -1.26 -0.39 135.00 134.26 1h98 s PRO 56 Ca -0.06 1.91 0.04 0.00 0.02 0.00 0.00 61.00 62.91 1h98 s PRO 56 Cb -0.08 -2.27 0.70 0.00 0.02 0.00 0.00 34.50 32.88 1h98 s PRO 56 CO 0.00 -0.86 1.76 1.49 -0.33 0.00 0.00 177.00 179.06 1h98 h GLU 57 N 1.65 0.65 0.00 5.54 4.81 -1.39 0.60 114.58 126.43 1h98 h GLU 57 Ca -0.50 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1h98 h GLU 57 Cb 1.27 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 1h98 h GLU 57 CO 0.58 0.43 -0.04 0.93 -0.73 0.00 0.00 179.01 180.19 1h98 h GLU 58 N 0.66 0.00 -0.31 1.92 3.07 -1.90 -2.73 114.58 115.29 1h98 h GLU 58 Ca 0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 1h98 h GLU 58 Cb 0.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1h98 h GLU 58 CO -0.41 0.04 0.00 -0.25 -1.40 0.00 0.00 179.01 176.99 1h98 n ASP 59 N -3.22 2.87 -4.69 1.42 8.00 0.16 -5.00 116.55 116.09 1h98 n ASP 59 Ca -0.01 -1.88 -0.42 0.00 0.71 0.00 0.00 54.79 53.19 1h98 n ASP 59 Cb 0.22 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 1h98 n ASP 59 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1h98 n VAL 60 N 0.78 0.31 -1.64 2.53 0.31 -0.97 -4.83 118.33 114.82 1h98 n VAL 60 Ca 0.13 -0.06 -0.44 0.00 -0.01 0.00 0.00 64.34 63.96 1h98 n VAL 60 Cb 0.43 -2.09 -0.02 0.00 -0.91 0.00 0.00 33.84 31.25 1h98 n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1h98 n PRO 61 N 5.37 1.69 -0.34 5.55 -0.02 -1.26 -4.77 135.00 141.22 1h98 n PRO 61 Ca 0.18 0.59 0.23 0.00 -2.02 0.00 0.00 63.50 62.48 1h98 n PRO 61 Cb 0.37 -2.08 0.49 0.00 -0.02 0.00 0.00 33.50 32.26 1h98 n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1h98 h GLU 62 N 2.58 0.39 0.00 -0.52 4.57 -2.00 0.41 114.58 120.01 1h98 h GLU 62 Ca -0.43 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1h98 h GLU 62 Cb 1.31 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1h98 h GLU 62 CO 0.64 0.26 -0.02 1.96 -1.18 0.00 0.00 179.01 180.67 1h98 h GLN 63 N 0.40 0.00 -0.32 1.92 7.50 -2.02 -3.14 115.11 119.45 1h98 h GLN 63 Ca 0.64 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.79 1h98 h GLN 63 Cb 1.55 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.08 1h98 h GLN 63 CO -0.37 0.02 0.00 0.91 -1.50 0.00 0.00 178.83 177.89 1h98 n TRP 64 N -3.11 0.90 -0.03 2.96 8.01 0.14 -4.68 117.44 121.63 1h98 n TRP 64 Ca 0.01 -0.75 0.18 0.00 -1.31 0.00 0.00 57.50 55.63 1h98 n TRP 64 Cb 0.37 -0.24 0.63 0.00 -2.01 0.00 0.00 31.31 30.06 1h98 n TRP 64 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 1h98 h LYS 65 N 2.12 0.13 0.00 -0.99 1.79 -1.44 -0.61 116.57 117.56 1h98 h LYS 65 Ca 0.00 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1h98 h LYS 65 Cb 1.27 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1h98 h LYS 65 CO 0.18 0.08 -0.01 0.66 -1.08 0.00 0.00 179.45 179.28 1h98 h SER 66 N 0.13 0.00 0.95 0.86 4.64 -1.87 -2.03 113.55 116.23 1h98 h SER 66 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1h98 h SER 66 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1h98 h SER 66 CO -0.03 0.01 0.00 1.88 -0.87 0.00 0.00 176.83 177.82 1h98 h TYR 67 N 0.00 0.00 0.13 4.77 -1.99 -1.47 -2.37 116.97 116.04 1h98 h TYR 67 Ca -0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1h98 h TYR 67 Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 1h98 h TYR 67 CO 0.00 0.00 -0.06 0.82 -0.00 0.00 0.00 178.16 178.92 1h98 h ILE 68 N 0.00 0.99 -0.19 -2.88 2.04 -1.54 -1.25 117.51 114.67 1h98 h ILE 68 Ca 0.00 -0.48 -0.10 0.00 1.00 0.00 0.00 64.86 65.28 1h98 h ILE 68 Cb 0.48 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1h98 h ILE 68 CO 0.00 0.12 -0.31 -0.08 0.00 0.00 0.00 178.15 177.87 1h98 h GLU 69 N -0.39 0.39 -0.29 2.37 4.57 -1.69 -2.23 114.58 117.31 1h98 h GLU 69 Ca -0.02 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1h98 h GLU 69 Cb 0.32 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1h98 h GLU 69 CO 0.03 0.67 0.18 -0.22 -1.18 0.00 0.00 179.01 178.48 1h98 h LYS 70 N 0.34 0.38 -0.91 1.92 3.64 -1.25 0.21 116.57 120.91 1h98 h LYS 70 Ca 0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1h98 h LYS 70 Cb 0.72 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 1h98 h LYS 70 CO 0.06 0.28 0.52 -0.91 -2.27 0.00 0.00 179.45 177.12 1h98 h ASN 71 N 0.37 1.12 -0.31 4.20 -0.26 -1.06 -0.26 115.58 119.39 1h98 h ASN 71 Ca 0.10 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 1h98 h ASN 71 Cb -0.01 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 36.95 1h98 h ASN 71 CO -0.02 0.88 0.14 0.03 -1.06 0.00 0.00 177.43 177.41 1h98 h ARG 72 N 1.26 0.44 -0.68 0.81 3.08 -0.77 -1.26 114.38 117.26 1h98 h ARG 72 Ca 0.32 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.24 1h98 h ARG 72 Cb -0.01 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1h98 h ARG 72 CO -0.06 0.42 0.16 0.87 -1.07 0.00 0.00 179.97 180.30 1h98 h LYS 73 N 0.36 1.10 -0.39 0.04 1.57 -0.21 -0.76 116.57 118.27 1h98 h LYS 73 Ca 0.11 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1h98 h LYS 73 Cb 0.13 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1h98 h LYS 73 CO -0.01 0.98 0.07 -0.07 -0.57 0.00 0.00 179.45 179.85 1h98 h LEU 74 N 1.03 0.54 0.00 2.94 3.38 -0.91 -0.66 115.31 121.62 1h98 h LEU 74 Ca 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1h98 h LEU 74 Cb 0.37 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1h98 h LEU 74 CO 0.00 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1h98 n ALA 75 N -2.47 2.08 -0.89 1.53 0.00 -0.49 -4.88 120.51 115.40 1h98 n ALA 75 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1h98 n ALA 75 Cb 0.21 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1h98 n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h98 n GLY 76 N 0.63 0.51 0.74 0.00 0.00 -0.26 -5.07 105.19 101.74 1h98 n GLY 76 Ca 0.09 -0.89 0.13 0.00 0.00 0.00 0.00 46.02 45.35 1h98 n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36