#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bc6 s TYR 2 N 0.00 3.71 0.07 0.00 1.51 -1.26 -3.63 117.35 117.75 1bc6 s TYR 2 Ca 0.00 1.21 0.02 0.00 -1.01 0.00 0.00 57.07 57.29 1bc6 s TYR 2 Cb 0.00 -2.59 -0.03 0.00 -0.11 0.00 0.00 41.96 39.23 1bc6 s TYR 2 CO 0.00 0.40 -0.07 0.08 -1.11 0.00 0.00 175.55 174.85 1bc6 s VAL 3 N -0.37 0.62 0.82 0.71 1.01 0.25 -4.75 120.40 118.70 1bc6 s VAL 3 Ca 0.31 -1.55 -0.10 0.00 0.00 0.00 0.00 61.98 60.63 1bc6 s VAL 3 Cb -0.18 -1.20 0.09 0.00 0.00 0.00 0.00 36.38 35.08 1bc6 s VAL 3 CO 0.18 -0.65 1.11 -0.51 0.00 0.00 0.00 175.10 175.23 1bc6 s ILE 4 N -2.62 2.86 0.20 2.22 1.10 -1.26 -0.48 121.20 123.22 1bc6 s ILE 4 Ca 0.02 0.28 -0.03 0.00 -0.51 0.00 0.00 60.65 60.41 1bc6 s ILE 4 Cb -0.02 -2.60 -0.03 0.00 0.15 0.00 0.00 42.46 39.96 1bc6 s ILE 4 CO -0.02 -0.36 0.19 0.42 -2.11 0.00 0.00 174.94 173.05 1bc6 s THR 5 N -2.80 0.02 0.00 4.00 -4.23 -1.09 -4.71 115.64 106.83 1bc6 s THR 5 Ca 0.63 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1bc6 s THR 5 Cb -0.19 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1bc6 s THR 5 CO 0.56 -0.08 0.00 1.21 -0.54 0.00 0.00 174.62 175.78 1bc6 n GLU 6 N -0.26 0.00 0.11 3.99 4.07 -1.26 -1.81 120.64 125.48 1bc6 n GLU 6 Ca -0.00 0.00 0.20 0.00 -0.06 0.00 0.00 57.16 57.30 1bc6 n GLU 6 Cb 0.65 0.00 0.73 0.00 -0.06 0.00 0.00 31.44 32.76 1bc6 n GLU 6 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1bc6 h PRO 7 N 0.00 0.00 -0.42 5.31 0.13 -1.98 0.99 132.00 136.04 1bc6 h PRO 7 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 1bc6 h PRO 7 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1bc6 h PRO 7 CO 0.00 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 177.65 1bc6 n ILE 9 N -4.16 0.16 0.00 0.00 5.41 0.34 -0.72 119.36 120.39 1bc6 n ILE 9 Ca 0.01 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1bc6 n ILE 9 Cb 0.37 -0.89 0.00 0.00 -0.71 0.00 0.00 39.64 38.41 1bc6 n ILE 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bc6 n GLY 10 N 3.66 3.36 3.70 7.39 0.00 -1.26 -5.06 105.19 116.98 1bc6 n GLY 10 Ca 0.26 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 1bc6 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bc6 s THR 11 N -0.01 2.21 0.00 2.61 -4.23 0.10 -4.90 115.64 111.43 1bc6 s THR 11 Ca 0.00 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 1bc6 s THR 11 Cb 0.00 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1bc6 s THR 11 CO 0.00 -0.08 0.00 0.29 -0.54 0.00 0.00 174.62 174.29 1bc6 n LYS 12 N -3.54 0.00 0.00 3.99 4.01 -1.26 -4.46 118.16 116.90 1bc6 n LYS 12 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 1bc6 n LYS 12 Cb 0.51 -0.02 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 1bc6 n LYS 12 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1bc6 n ASP 13 N -2.45 0.00 -0.34 4.39 5.75 -1.26 -2.19 116.55 120.45 1bc6 n ASP 13 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.90 1bc6 n ASP 13 Cb 0.00 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 40.34 1bc6 n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bc6 h ALA 14 N 0.00 1.05 -5.49 2.12 0.00 -2.00 -3.46 119.26 111.47 1bc6 h ALA 14 Ca 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1bc6 h ALA 14 Cb 0.00 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1bc6 h ALA 14 CO 0.00 -0.53 -0.31 0.43 0.00 0.00 0.00 179.25 178.84 1bc6 n SER 15 N -5.51 -7.55 -1.93 0.00 7.64 -0.93 -4.86 113.62 100.47 1bc6 n SER 15 Ca 0.21 0.08 -0.03 0.00 1.01 0.00 0.00 58.87 60.14 1bc6 n SER 15 Cb 0.69 -4.92 -0.05 0.00 -1.01 0.00 0.00 64.21 58.92 1bc6 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bc6 s VAL 17 N 1.27 2.69 0.00 0.00 0.11 -1.26 -4.65 120.40 118.56 1bc6 s VAL 17 Ca 0.19 -2.07 0.00 0.00 -2.93 0.00 0.00 61.98 57.17 1bc6 s VAL 17 Cb 0.09 -2.70 0.00 0.00 -1.53 0.00 0.00 36.38 32.24 1bc6 s VAL 17 CO 0.00 -0.26 0.00 -0.62 -3.33 0.00 0.00 175.10 170.89 1bc6 n GLU 18 N -0.87 0.00 0.15 1.54 1.02 -1.26 -4.56 120.64 116.67 1bc6 n GLU 18 Ca -0.05 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.11 1bc6 n GLU 18 Cb 0.61 -0.14 0.34 0.00 -0.02 0.00 0.00 31.44 32.23 1bc6 n GLU 18 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1bc6 h VAL 19 N 0.00 1.26 -2.94 2.62 -1.51 -1.90 -3.44 116.25 110.34 1bc6 h VAL 19 Ca 0.00 -1.22 -0.57 0.00 -1.23 0.00 0.00 66.70 63.68 1bc6 h VAL 19 Cb 0.00 1.59 -0.04 0.00 -2.13 0.00 0.00 31.29 30.70 1bc6 h VAL 19 CO 0.00 0.36 0.88 0.00 -1.23 0.00 0.00 177.57 177.58 1bc6 h PRO 21 N 8.08 0.07 -0.12 0.00 0.11 -2.01 -0.16 132.00 137.97 1bc6 h PRO 21 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1bc6 h PRO 21 Cb 1.10 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1bc6 h PRO 21 CO 0.97 0.05 0.00 1.55 -0.21 0.00 0.00 178.00 180.36 1bc6 n VAL 22 N -4.27 0.38 -3.53 3.15 3.14 -1.26 -5.03 118.33 110.91 1bc6 n VAL 22 Ca 0.30 -0.69 -0.11 0.00 -2.96 0.00 0.00 64.34 60.88 1bc6 n VAL 22 Cb 1.32 0.94 0.00 0.00 -1.06 0.00 0.00 33.84 35.05 1bc6 n VAL 22 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1bc6 n ASP 23 N 0.49 -1.10 -1.66 6.55 8.00 -0.07 -4.84 116.55 123.93 1bc6 n ASP 23 Ca 0.07 -0.31 0.01 0.00 0.71 0.00 0.00 54.79 55.27 1bc6 n ASP 23 Cb 0.31 -0.40 0.29 0.00 -0.02 0.00 0.00 41.12 41.29 1bc6 n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bc6 s ILE 25 N -2.41 5.00 0.02 0.00 1.09 -1.26 -0.88 121.20 122.75 1bc6 s ILE 25 Ca 0.43 1.10 0.02 0.00 -1.10 0.00 0.00 60.65 61.10 1bc6 s ILE 25 Cb 0.33 -3.92 -0.02 0.00 -1.06 0.00 0.00 42.46 37.80 1bc6 s ILE 25 CO 0.12 0.05 -0.07 -1.00 -0.10 0.00 0.00 174.94 173.94 1bc6 s HIS 26 N 2.39 0.57 0.55 3.97 3.76 0.16 -4.97 115.29 121.72 1bc6 s HIS 26 Ca 0.26 -0.33 -0.18 0.00 -0.15 0.00 0.00 55.06 54.66 1bc6 s HIS 26 Cb -0.16 -0.35 -0.05 0.00 1.11 0.00 0.00 32.58 33.13 1bc6 s HIS 26 CO 0.09 -0.06 1.06 -1.21 -0.85 0.00 0.00 174.74 173.77 1bc6 s GLU 27 N -0.99 3.47 0.00 1.40 8.01 -1.26 -0.13 118.70 129.20 1bc6 s GLU 27 Ca -0.05 1.32 0.00 0.00 0.01 0.00 0.00 54.97 56.24 1bc6 s GLU 27 Cb -0.07 -2.05 0.00 0.00 -4.31 0.00 0.00 34.13 27.71 1bc6 s GLU 27 CO 0.00 -0.70 0.00 0.41 0.01 0.00 0.00 175.26 174.98 1bc6 n GLY 28 N -0.56 5.42 0.35 -1.39 0.00 -0.20 -4.72 105.19 104.09 1bc6 n GLY 28 Ca 0.09 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 1bc6 n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bc6 h GLU 29 N 0.00 -0.77 0.00 1.61 3.07 -1.97 -3.41 114.58 113.12 1bc6 h GLU 29 Ca 0.00 0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.84 1bc6 h GLU 29 Cb 0.00 0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1bc6 h GLU 29 CO 0.00 -0.51 -0.89 -3.47 -1.40 0.00 0.00 179.01 172.74 1bc6 n ASP 30 N -4.46 1.40 -4.86 1.42 2.03 -1.26 -5.08 116.55 105.73 1bc6 n ASP 30 Ca -0.10 0.22 -0.21 0.00 0.52 0.00 0.00 54.79 55.22 1bc6 n ASP 30 Cb 0.34 -0.52 0.09 0.00 -0.72 0.00 0.00 41.12 40.31 1bc6 n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bc6 s GLN 31 N -2.42 1.98 0.61 -0.67 -2.07 -1.26 -4.81 119.66 111.01 1bc6 s GLN 31 Ca -0.17 -1.44 -0.06 0.00 -1.82 0.00 0.00 55.36 51.87 1bc6 s GLN 31 Cb 0.04 -2.50 0.02 0.00 -1.09 0.00 0.00 33.01 29.47 1bc6 s GLN 31 CO 0.23 -1.16 0.92 0.71 -1.32 0.00 0.00 175.29 174.67 1bc6 s TYR 32 N -2.89 3.20 0.36 9.60 2.02 -1.26 -1.03 117.35 127.35 1bc6 s TYR 32 Ca 0.64 0.60 0.04 0.00 -0.37 0.00 0.00 57.07 57.98 1bc6 s TYR 32 Cb -0.05 -2.80 -0.05 0.00 -0.40 0.00 0.00 41.96 38.65 1bc6 s TYR 32 CO 0.42 -0.91 0.07 0.71 -1.57 0.00 0.00 175.55 174.27 1bc6 s TYR 33 N -3.02 1.94 -0.04 2.71 1.51 0.82 -4.76 117.35 116.51 1bc6 s TYR 33 Ca 0.55 -1.03 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 1bc6 s TYR 33 Cb -0.11 -1.30 0.00 0.00 -0.11 0.00 0.00 41.96 40.45 1bc6 s TYR 33 CO 0.45 -0.03 -0.11 0.42 -1.11 0.00 0.00 175.55 175.17 1bc6 s ILE 34 N -3.22 0.95 -0.32 2.71 1.01 -1.26 -0.66 121.20 120.41 1bc6 s ILE 34 Ca 0.31 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.23 1bc6 s ILE 34 Cb 0.07 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 1bc6 s ILE 34 CO 0.14 0.29 1.51 -0.62 0.00 0.00 0.00 174.94 176.27 1bc6 s ASP 35 N 0.26 6.35 -0.43 3.58 -1.08 -0.06 -4.67 116.67 120.61 1bc6 s ASP 35 Ca -0.05 1.22 0.05 0.00 -0.52 0.00 0.00 52.55 53.24 1bc6 s ASP 35 Cb -0.10 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 39.50 1bc6 s ASP 35 CO 0.01 -1.35 1.89 -0.81 0.52 0.00 0.00 175.17 175.44 1bc6 n PRO 36 N 7.84 2.41 -0.07 4.34 -0.04 -1.26 -2.04 135.00 146.18 1bc6 n PRO 36 Ca 0.18 -3.03 -0.10 0.00 -0.04 0.00 0.00 63.50 60.51 1bc6 n PRO 36 Cb 0.47 -2.17 -0.06 0.00 -0.04 0.00 0.00 33.50 31.69 1bc6 n PRO 36 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bc6 n ASP 37 N -1.03 2.78 -0.08 3.54 2.03 -1.26 -4.60 116.55 117.93 1bc6 n ASP 37 Ca 0.57 -0.05 -0.13 0.00 0.52 0.00 0.00 54.79 55.70 1bc6 n ASP 37 Cb 1.63 -0.23 -0.05 0.00 -0.72 0.00 0.00 41.12 41.75 1bc6 n ASP 37 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1bc6 h VAL 38 N -0.05 1.32 -1.81 5.18 2.07 -1.98 -3.44 116.25 117.54 1bc6 h VAL 38 Ca -0.30 -1.37 -0.67 0.00 0.82 0.00 0.00 66.70 65.17 1bc6 h VAL 38 Cb 1.45 1.68 0.02 0.00 -1.52 0.00 0.00 31.29 32.92 1bc6 h VAL 38 CO -0.06 0.43 0.97 0.00 0.02 0.00 0.00 177.57 178.92 1bc6 n ILE 40 N 4.71 1.79 -4.06 0.00 -0.00 -1.26 -4.56 119.36 115.98 1bc6 n ILE 40 Ca 0.24 -0.84 -0.32 0.00 -0.00 0.00 0.00 62.75 61.83 1bc6 n ILE 40 Cb 0.22 -0.60 -0.00 0.00 -0.00 0.00 0.00 39.64 39.25 1bc6 n ILE 40 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1bc6 n ASP 41 N -0.06 -3.39 -0.21 7.28 8.00 -1.26 -4.87 116.55 122.04 1bc6 n ASP 41 Ca 0.23 -0.92 -0.09 0.00 0.71 0.00 0.00 54.79 54.72 1bc6 n ASP 41 Cb 0.93 -3.25 0.02 0.00 -0.02 0.00 0.00 41.12 38.80 1bc6 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bc6 n GLY 43 N -0.47 -3.51 1.70 0.00 0.00 -1.26 -5.06 105.19 96.59 1bc6 n GLY 43 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1bc6 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bc6 n ALA 44 N 0.39 0.00 -0.33 4.61 0.00 -1.26 -4.97 120.51 118.95 1bc6 n ALA 44 Ca -0.08 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.53 1bc6 n ALA 44 Cb 0.12 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.97 1bc6 n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bc6 h GLU 46 N 0.60 0.36 -0.50 0.00 3.07 -1.92 -1.56 114.58 114.62 1bc6 h GLU 46 Ca 0.58 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.36 1bc6 h GLU 46 Cb 1.12 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.93 1bc6 h GLU 46 CO -0.35 0.24 0.10 0.00 -1.40 0.00 0.00 179.01 177.60 1bc6 h ALA 47 N 1.71 1.24 0.09 3.43 0.00 -1.43 -3.07 119.26 121.22 1bc6 h ALA 47 Ca 0.27 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 1bc6 h ALA 47 Cb 0.56 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1bc6 h ALA 47 CO -0.07 0.52 -1.63 -0.39 0.00 0.00 0.00 179.25 177.68 1bc6 h VAL 48 N 0.74 1.01 -2.44 0.00 -1.51 -1.49 -3.47 116.25 109.10 1bc6 h VAL 48 Ca 0.16 -2.72 -0.53 0.00 -1.23 0.00 0.00 66.70 62.38 1bc6 h VAL 48 Cb 0.31 2.64 0.03 0.00 -2.13 0.00 0.00 31.29 32.13 1bc6 h VAL 48 CO 0.00 0.77 1.18 0.00 -1.23 0.00 0.00 177.57 178.29 1bc6 n PRO 50 N 6.73 2.06 -1.56 0.00 -0.04 -1.26 -0.84 135.00 140.10 1bc6 n PRO 50 Ca 0.19 0.74 -0.19 0.00 -0.04 0.00 0.00 63.50 64.19 1bc6 n PRO 50 Cb 0.40 -2.66 -0.08 0.00 -0.04 0.00 0.00 33.50 31.11 1bc6 n PRO 50 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1bc6 n VAL 51 N 5.50 0.00 -3.75 0.52 0.31 -1.26 -2.89 118.33 116.75 1bc6 n VAL 51 Ca 0.25 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.32 1bc6 n VAL 51 Cb 0.30 -1.88 0.02 0.00 -0.91 0.00 0.00 33.84 31.37 1bc6 n VAL 51 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1bc6 n SER 52 N -1.13 -2.59 -0.04 4.52 2.88 -0.02 -4.86 113.62 112.39 1bc6 n SER 52 Ca -0.19 -0.94 0.16 0.00 -1.33 0.00 0.00 58.87 56.57 1bc6 n SER 52 Cb 0.64 -3.57 0.60 0.00 -0.75 0.00 0.00 64.21 61.13 1bc6 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bc6 h ALA 53 N 0.80 2.27 -2.11 -1.46 0.00 -1.74 -3.34 119.26 113.68 1bc6 h ALA 53 Ca -0.64 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 53.70 1bc6 h ALA 53 Cb 1.36 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1bc6 h ALA 53 CO 0.55 -0.42 1.29 0.42 0.00 0.00 0.00 179.25 181.08 1bc6 s ILE 54 N -5.19 3.26 0.09 0.00 1.01 -1.26 -2.68 121.20 116.42 1bc6 s ILE 54 Ca -0.06 0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.95 1bc6 s ILE 54 Cb 0.20 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 1bc6 s ILE 54 CO 0.74 -0.11 -0.20 -0.31 0.00 0.00 0.00 174.94 175.06 1bc6 s TYR 55 N 6.05 1.71 0.46 3.97 2.02 0.37 -4.87 117.35 127.06 1bc6 s TYR 55 Ca 0.86 -0.42 -0.21 0.00 -0.37 0.00 0.00 57.07 56.94 1bc6 s TYR 55 Cb -0.33 -0.95 -0.09 0.00 -0.40 0.00 0.00 41.96 40.19 1bc6 s TYR 55 CO 0.35 0.17 1.02 -1.58 -1.57 0.00 0.00 175.55 173.94 1bc6 s HIS 56 N -1.12 3.09 0.59 2.71 5.65 -1.26 -0.58 115.29 124.37 1bc6 s HIS 56 Ca 0.05 1.59 0.29 0.00 0.25 0.00 0.00 55.06 57.24 1bc6 s HIS 56 Cb -0.10 -3.03 1.50 0.00 -1.18 0.00 0.00 32.58 29.77 1bc6 s HIS 56 CO 0.04 -0.66 1.92 1.49 -0.65 0.00 0.00 174.74 176.88 1bc6 h GLU 57 N 1.74 0.00 0.06 2.88 4.57 -1.93 0.15 114.58 122.05 1bc6 h GLU 57 Ca -0.49 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1bc6 h GLU 57 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1bc6 h GLU 57 CO 0.60 0.00 -0.03 0.22 -1.18 0.00 0.00 179.01 178.62 1bc6 h ASP 58 N 0.00 -0.07 0.03 1.04 3.58 -1.91 -3.20 116.42 115.89 1bc6 h ASP 58 Ca 0.19 -0.19 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 1bc6 h ASP 58 Cb 1.07 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 1bc6 h ASP 58 CO -0.00 0.15 -0.56 -0.26 -2.88 0.00 0.00 179.24 175.69 1bc6 h PHE 59 N -0.29 0.71 -2.16 0.28 0.04 -1.20 -3.46 116.94 110.86 1bc6 h PHE 59 Ca -0.01 -0.25 -0.60 0.00 2.80 0.00 0.00 57.97 59.91 1bc6 h PHE 59 Cb 0.26 -0.13 0.05 0.00 2.20 0.00 0.00 35.95 38.32 1bc6 h PHE 59 CO -0.00 0.99 0.84 0.28 -0.60 0.00 0.00 178.31 179.82 1bc6 n VAL 60 N -3.95 0.14 -1.57 -0.55 0.31 0.15 -4.92 118.33 107.93 1bc6 n VAL 60 Ca -0.03 -0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 63.92 1bc6 n VAL 60 Cb 0.61 -1.55 0.08 0.00 -0.91 0.00 0.00 33.84 32.07 1bc6 n VAL 60 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1bc6 s PRO 61 N 1.63 2.33 0.26 5.55 0.04 -1.26 -4.76 135.00 138.78 1bc6 s PRO 61 Ca 0.83 1.83 -0.03 0.00 0.04 0.00 0.00 61.00 63.67 1bc6 s PRO 61 Cb -0.71 -1.85 0.53 0.00 0.04 0.00 0.00 34.50 32.51 1bc6 s PRO 61 CO 0.42 -1.70 1.69 1.49 0.04 0.00 0.00 177.00 178.93 1bc6 h GLU 62 N 0.03 0.29 -0.73 4.56 4.81 -1.97 0.21 114.58 121.78 1bc6 h GLU 62 Ca -0.49 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 58.84 1bc6 h GLU 62 Cb 1.30 -0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.49 1bc6 h GLU 62 CO 0.51 0.19 -0.40 1.49 -0.73 0.00 0.00 179.01 180.08 1bc6 h GLU 63 N 0.30 -0.12 -0.05 1.92 4.22 -2.03 -1.88 114.58 116.95 1bc6 h GLU 63 Ca 0.45 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.90 1bc6 h GLU 63 Cb 0.80 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1bc6 h GLU 63 CO -0.52 -0.08 0.00 0.91 -2.18 0.00 0.00 179.01 177.14 1bc6 n TRP 64 N -5.42 0.06 -0.30 0.92 8.01 0.70 -1.30 117.44 120.11 1bc6 n TRP 64 Ca 0.05 -0.03 0.26 0.00 -1.31 0.00 0.00 57.50 56.47 1bc6 n TRP 64 Cb 0.36 0.00 0.58 0.00 -2.01 0.00 0.00 31.31 30.25 1bc6 n TRP 64 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 1bc6 h LYS 65 N 0.79 0.26 -0.16 -0.99 6.56 -0.98 -0.45 116.57 121.59 1bc6 h LYS 65 Ca 0.00 -0.02 0.05 0.00 -1.06 0.00 0.00 60.65 59.62 1bc6 h LYS 65 Cb 0.17 -0.06 -0.06 0.00 -0.57 0.00 0.00 32.23 31.72 1bc6 h LYS 65 CO 0.00 0.17 -0.21 0.77 -2.06 0.00 0.00 179.45 178.12 1bc6 h SER 66 N 0.27 -0.66 -0.66 0.86 0.02 -1.37 -0.11 113.55 111.90 1bc6 h SER 66 Ca 0.56 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 61.56 1bc6 h SER 66 Cb 1.67 0.30 -0.03 0.00 0.14 0.00 0.00 62.40 64.49 1bc6 h SER 66 CO -0.19 -0.26 0.14 1.88 -1.14 0.00 0.00 176.83 177.26 1bc6 h TYR 67 N -0.25 1.13 -0.38 3.45 0.05 -1.35 0.48 116.97 120.10 1bc6 h TYR 67 Ca 0.11 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 1bc6 h TYR 67 Cb 0.41 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 1bc6 h TYR 67 CO -0.33 0.94 0.14 0.82 -1.05 0.00 0.00 178.16 178.68 1bc6 h ILE 68 N 1.00 1.20 -0.81 -2.88 5.03 -0.84 0.22 117.51 120.42 1bc6 h ILE 68 Ca 0.20 -0.62 0.08 0.00 -0.12 0.00 0.00 64.86 64.40 1bc6 h ILE 68 Cb 0.40 0.89 -0.07 0.00 -3.03 0.00 0.00 36.82 35.01 1bc6 h ILE 68 CO 0.01 0.22 0.48 1.56 -0.68 0.00 0.00 178.15 179.73 1bc6 h GLN 69 N 0.47 0.80 0.12 2.37 4.20 -0.90 -1.07 115.11 121.11 1bc6 h GLN 69 Ca 0.13 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.80 1bc6 h GLN 69 Cb 0.21 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1bc6 h GLN 69 CO -0.01 0.53 -0.17 -0.22 -0.67 0.00 0.00 178.83 178.29 1bc6 h LYS 70 N 0.83 -0.34 -0.73 1.46 3.64 0.61 0.33 116.57 122.38 1bc6 h LYS 70 Ca 0.38 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.91 1bc6 h LYS 70 Cb 0.29 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.09 1bc6 h LYS 70 CO -0.22 -0.22 0.29 -0.91 -2.27 0.00 0.00 179.45 176.12 1bc6 h ASN 71 N -0.35 0.27 0.23 4.20 2.35 -0.33 0.19 115.58 122.14 1bc6 h ASN 71 Ca 0.02 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1bc6 h ASN 71 Cb 0.35 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1bc6 h ASN 71 CO -0.08 0.11 -0.19 0.03 -1.65 0.00 0.00 177.43 175.66 1bc6 h ARG 72 N 0.44 -0.41 -0.83 0.81 3.08 -0.70 -3.17 114.38 113.60 1bc6 h ARG 72 Ca 0.39 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.59 1bc6 h ARG 72 Cb 0.57 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.64 1bc6 h ARG 72 CO -0.38 -0.28 0.45 0.22 -1.07 0.00 0.00 179.97 178.91 1bc6 h ASP 73 N -0.43 0.59 -0.93 7.04 3.58 0.14 -0.67 116.42 125.74 1bc6 h ASP 73 Ca -0.01 0.07 0.27 0.00 0.42 0.00 0.00 57.03 57.78 1bc6 h ASP 73 Cb 0.38 -0.04 -0.15 0.00 1.72 0.00 0.00 39.33 41.24 1bc6 h ASP 73 CO -0.02 0.30 0.26 -0.26 -2.88 0.00 0.00 179.24 176.65 1bc6 h PHE 74 N 0.70 0.39 -0.25 0.28 -1.00 -0.68 -0.49 116.94 115.89 1bc6 h PHE 74 Ca 0.43 0.05 -0.04 0.00 2.81 0.00 0.00 57.97 61.21 1bc6 h PHE 74 Cb 0.50 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.01 1bc6 h PHE 74 CO -0.08 -0.28 -0.02 1.19 -1.61 0.00 0.00 178.31 177.51 1bc6 n PHE 75 N -5.26 0.86 -3.39 -0.55 3.72 -0.32 -4.81 117.46 107.71 1bc6 n PHE 75 Ca 0.25 -1.07 -0.23 0.00 -0.05 0.00 0.00 57.45 56.35 1bc6 n PHE 75 Cb 0.80 -0.34 -0.10 0.00 -0.94 0.00 0.00 39.48 38.90 1bc6 n PHE 75 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1bc6 s LYS 76 N -2.94 0.65 0.00 -1.08 2.20 -0.19 -5.08 119.74 113.31 1bc6 s LYS 76 Ca 0.42 -1.28 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 1bc6 s LYS 76 Cb 0.35 -1.06 0.00 0.00 -1.51 0.00 0.00 37.83 35.61 1bc6 s LYS 76 CO 0.06 -1.24 0.00 1.63 -0.36 0.00 0.00 175.35 175.44