#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1h n GLU 10 N 0.00 1.76 -3.28 0.00 1.02 -1.26 -4.87 120.64 114.02 3h1h n GLU 10 Ca 0.00 -1.51 -0.06 0.00 -0.02 0.00 0.00 57.16 55.56 3h1h n GLU 10 Cb 0.00 -1.40 -0.05 0.00 -0.02 0.00 0.00 31.44 29.98 3h1h n GLU 10 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3h1h s GLU 11 N -1.87 0.44 0.12 3.49 2.02 -1.26 -5.15 118.70 116.50 3h1h s GLU 11 Ca 0.22 0.26 -0.02 0.00 0.02 0.00 0.00 54.97 55.45 3h1h s GLU 11 Cb 0.17 -0.20 -0.04 0.00 0.10 0.00 0.00 34.13 34.16 3h1h s GLU 11 CO 0.33 -1.00 0.07 -2.00 0.02 0.00 0.00 175.26 172.68 3h1h s GLU 12 N 2.60 0.90 -0.34 1.61 2.12 -1.26 -5.15 118.70 119.18 3h1h s GLU 12 Ca 0.10 -1.38 -0.10 0.00 0.36 0.00 0.00 54.97 53.96 3h1h s GLU 12 Cb -0.12 0.25 0.01 0.00 0.26 0.00 0.00 34.13 34.53 3h1h s GLU 12 CO -0.28 -0.25 0.17 -1.17 -0.54 0.00 0.00 175.26 173.18 3h1h s LEU 13 N -3.02 4.36 -0.04 2.70 2.96 -1.26 -5.08 118.68 119.30 3h1h s LEU 13 Ca 0.21 -0.78 0.07 0.00 -0.22 0.00 0.00 54.13 53.40 3h1h s LEU 13 Cb 0.07 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 3h1h s LEU 13 CO -0.00 -0.29 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.81 3h1h s VAL 14 N 1.56 1.98 -0.46 1.68 1.01 -1.26 -5.10 120.40 119.81 3h1h s VAL 14 Ca 0.03 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 3h1h s VAL 14 Cb -0.18 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.57 3h1h s VAL 14 CO 0.06 0.55 0.91 -0.62 0.00 0.00 0.00 175.10 176.00 3h1h s ASP 15 N -0.33 6.48 0.57 3.32 3.68 -1.26 -4.88 116.67 124.25 3h1h s ASP 15 Ca 0.02 0.07 0.12 0.00 2.13 0.00 0.00 52.55 54.89 3h1h s ASP 15 Cb -0.12 -2.44 0.63 0.00 -1.45 0.00 0.00 42.92 39.54 3h1h s ASP 15 CO 0.02 -1.04 1.30 1.55 0.13 0.00 0.00 175.17 177.13 3h1h h PRO 16 N 9.07 0.00 0.54 4.34 0.13 -1.97 -1.53 132.00 142.58 3h1h h PRO 16 Ca -0.24 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 3h1h h PRO 16 Cb 1.08 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.21 3h1h h PRO 16 CO 1.02 0.00 -0.26 1.25 -0.23 0.00 0.00 178.00 179.78 3h1h h LEU 17 N 0.00 -0.61 -1.70 1.56 5.85 -1.94 -1.69 115.31 116.78 3h1h h LEU 17 Ca 0.00 0.02 0.24 0.00 0.84 0.00 0.00 57.88 58.99 3h1h h LEU 17 Cb 1.31 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.44 3h1h h LEU 17 CO 0.00 -0.42 0.64 0.71 -0.34 0.00 0.00 178.44 179.03 3h1h h THR 18 N -0.76 0.59 0.13 1.05 1.35 -1.69 0.79 112.91 114.35 3h1h h THR 18 Ca -0.07 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 3h1h h THR 18 Cb 0.56 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 3h1h h THR 18 CO 0.12 0.04 -0.06 0.74 -0.25 0.00 0.00 175.52 176.11 3h1h h THR 19 N 0.22 1.04 0.00 6.82 2.02 -1.54 -2.03 112.91 119.44 3h1h h THR 19 Ca 0.48 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3h1h h THR 19 Cb 1.50 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 3h1h h THR 19 CO -0.12 0.17 0.00 0.40 0.37 0.00 0.00 175.52 176.34 3h1h h ILE 20 N -0.52 0.00 -0.06 3.11 2.04 -0.29 -2.14 117.51 119.64 3h1h h ILE 20 Ca -0.02 -0.44 -0.17 0.00 1.00 0.00 0.00 64.86 65.24 3h1h h ILE 20 Cb 0.42 1.35 0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3h1h h ILE 20 CO 0.03 0.00 -0.62 0.03 0.00 0.00 0.00 178.15 177.59 3h1h h ARG 21 N 0.00 0.52 0.26 2.37 2.47 -0.74 -2.31 114.38 116.96 3h1h h ARG 21 Ca 0.00 -0.48 -0.01 0.00 -1.26 0.00 0.00 59.98 58.22 3h1h h ARG 21 Cb 0.49 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 3h1h h ARG 21 CO 0.00 1.11 -0.13 0.93 0.56 0.00 0.00 179.97 182.45 3h1h h GLU 22 N 0.10 -0.34 -0.94 0.04 5.08 -0.94 -1.69 114.58 115.89 3h1h h GLU 22 Ca -0.06 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.47 3h1h h GLU 22 Cb 1.28 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.53 3h1h h GLU 22 CO 0.12 -0.20 0.60 1.25 -1.00 0.00 0.00 179.01 179.78 3h1h h HIS 23 N -0.39 0.95 0.01 4.33 2.76 -1.45 -1.86 115.15 119.51 3h1h h HIS 23 Ca -0.04 0.03 -0.20 0.00 -2.20 0.00 0.00 60.37 57.96 3h1h h HIS 23 Cb 0.29 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 3h1h h HIS 23 CO -0.05 0.34 -0.89 0.00 -1.30 0.00 0.00 177.93 176.03 3h1h h GLU 25 N 0.09 0.00 -1.00 0.00 5.08 -0.43 -1.08 114.58 117.24 3h1h h GLU 25 Ca -0.04 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.89 3h1h h GLU 25 Cb 1.53 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.52 3h1h h GLU 25 CO 0.13 0.00 0.55 1.04 -1.00 0.00 0.00 179.01 179.73 3h1h n GLN 26 N -2.44 2.04 -4.39 2.33 1.13 -1.20 -3.96 117.38 110.88 3h1h n GLN 26 Ca -0.01 -2.50 -0.35 0.00 -1.94 0.00 0.00 57.00 52.21 3h1h n GLN 26 Cb 0.11 -1.98 -0.10 0.00 0.11 0.00 0.00 30.24 28.38 3h1h n GLN 26 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3h1h s THR 27 N -2.74 4.24 0.04 5.09 2.01 -0.41 -4.97 115.64 118.91 3h1h s THR 27 Ca 0.47 -0.30 -0.08 0.00 0.31 0.00 0.00 61.69 62.09 3h1h s THR 27 Cb 0.40 -2.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 3h1h s THR 27 CO 0.09 0.58 0.74 1.21 -0.69 0.00 0.00 174.62 176.55 3h1h n GLU 28 N 2.07 -0.12 0.23 4.92 2.13 -1.26 -0.73 120.64 127.88 3h1h n GLU 28 Ca -0.18 0.73 0.09 0.00 0.66 0.00 0.00 57.16 58.46 3h1h n GLU 28 Cb 0.53 -1.08 0.52 0.00 0.27 0.00 0.00 31.44 31.69 3h1h n GLU 28 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 3h1h h LYS 29 N 0.00 0.00 0.10 5.31 2.10 -1.96 -0.69 116.57 121.43 3h1h h LYS 29 Ca 0.04 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3h1h h LYS 29 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 3h1h h LYS 29 CO -0.25 0.24 -0.05 0.00 -2.00 0.00 0.00 179.45 177.39 3h1h h VAL 31 N -0.62 0.38 -0.98 0.00 2.07 -0.71 0.93 116.25 117.33 3h1h h VAL 31 Ca -0.01 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.68 3h1h h VAL 31 Cb 0.49 0.38 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 3h1h h VAL 31 CO 0.02 0.00 0.61 0.11 0.02 0.00 0.00 177.57 178.34 3h1h h LYS 32 N -0.39 0.75 0.12 1.57 1.57 -1.16 0.29 116.57 119.31 3h1h h LYS 32 Ca 0.08 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.60 3h1h h LYS 32 Cb 0.50 -0.17 0.02 0.00 0.08 0.00 0.00 32.23 32.66 3h1h h LYS 32 CO -0.27 0.49 -0.90 0.00 -0.57 0.00 0.00 179.45 178.20 3h1h h ALA 33 N 1.61 -0.05 -0.94 3.86 0.00 -0.64 -2.91 119.26 120.19 3h1h h ALA 33 Ca 0.54 -0.69 0.08 0.00 0.00 0.00 0.00 54.91 54.83 3h1h h ALA 33 Cb 0.82 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 3h1h h ALA 33 CO -0.31 0.45 0.60 -0.09 0.00 0.00 0.00 179.25 179.91 3h1h h ARG 34 N -0.14 0.98 0.91 0.00 9.65 0.16 -1.69 114.38 124.24 3h1h h ARG 34 Ca -0.15 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.63 3h1h h ARG 34 Cb 1.66 -0.22 0.01 0.00 -1.39 0.00 0.00 29.97 30.03 3h1h h ARG 34 CO 0.17 0.65 -0.44 1.49 2.80 0.00 0.00 179.97 184.65 3h1h h GLU 35 N 1.01 -1.18 -0.38 0.20 4.81 -0.47 -1.91 114.58 116.67 3h1h h GLU 35 Ca 0.42 0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.84 3h1h h GLU 35 Cb 0.30 0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3h1h h GLU 35 CO -0.18 -0.78 0.42 0.00 -0.73 0.00 0.00 179.01 177.74 3h1h h ARG 36 N -1.28 0.00 -0.01 1.92 3.08 -1.25 -0.74 114.38 116.09 3h1h h ARG 36 Ca -0.12 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3h1h h ARG 36 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 3h1h h ARG 36 CO 0.20 0.00 -0.12 1.25 -1.07 0.00 0.00 179.97 180.24 3h1h h LEU 37 N 0.00 0.13 -0.66 3.04 5.85 -0.92 -2.57 115.31 120.18 3h1h h LEU 37 Ca 0.18 -0.71 0.10 0.00 0.84 0.00 0.00 57.88 58.29 3h1h h LEU 37 Cb 1.01 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 3h1h h LEU 37 CO -0.00 0.81 0.29 -0.33 -0.34 0.00 0.00 178.44 178.87 3h1h h GLU 38 N -0.55 0.48 -0.01 1.25 5.08 -0.36 0.20 114.58 120.68 3h1h h GLU 38 Ca -0.01 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3h1h h GLU 38 Cb 0.82 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3h1h h GLU 38 CO 0.02 0.32 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.25 3h1h h LEU 39 N 0.50 -0.10 0.29 1.33 3.38 -1.48 0.17 115.31 119.40 3h1h h LEU 39 Ca 0.33 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3h1h h LEU 39 Cb 0.38 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3h1h h LEU 39 CO -0.29 -0.05 -0.36 0.00 0.09 0.00 0.00 178.44 177.83 3h1h h ASP 41 N -0.70 -1.29 -0.35 0.00 3.58 -0.44 0.11 116.42 117.32 3h1h h ASP 41 Ca -0.01 0.20 0.08 0.00 0.42 0.00 0.00 57.03 57.72 3h1h h ASP 41 Cb 0.66 0.57 -0.08 0.00 1.72 0.00 0.00 39.33 42.20 3h1h h ASP 41 CO -0.11 -0.36 -0.25 0.00 -2.88 0.00 0.00 179.24 175.65 3h1h h ALA 42 N 0.51 -0.05 0.00 -0.78 0.00 -0.16 0.13 119.26 118.90 3h1h h ALA 42 Ca 0.14 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3h1h h ALA 42 Cb 0.57 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3h1h h ALA 42 CO -0.54 -0.64 0.00 0.07 0.00 0.00 0.00 179.25 178.14 3h1h h ARG 43 N -0.20 0.00 0.02 0.00 0.11 -0.19 -1.97 114.38 112.15 3h1h h ARG 43 Ca 0.17 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.98 3h1h h ARG 43 Cb 0.47 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.52 3h1h h ARG 43 CO -0.47 0.00 -1.51 0.28 0.10 0.00 0.00 179.97 178.38 3h1h h VAL 44 N 0.00 1.11 0.00 0.08 2.07 0.18 -3.30 116.25 116.39 3h1h h VAL 44 Ca 0.00 -2.89 -0.18 0.00 0.82 0.00 0.00 66.70 64.45 3h1h h VAL 44 Cb 0.63 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 3h1h h VAL 44 CO 0.00 0.68 -0.86 0.28 0.02 0.00 0.00 177.57 177.69 3h1h h SER 45 N 0.01 0.02 0.29 0.57 0.02 -0.68 -3.15 113.55 110.63 3h1h h SER 45 Ca -0.21 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3h1h h SER 45 Cb 1.95 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.48 3h1h h SER 45 CO 0.10 0.87 0.00 -1.54 -1.14 0.00 0.00 176.83 175.13 3h1h n SER 46 N -3.53 0.00 -4.69 3.07 3.41 -0.75 -4.85 113.62 106.28 3h1h n SER 46 Ca -0.01 -0.50 -0.23 0.00 -0.26 0.00 0.00 58.87 57.87 3h1h n SER 46 Cb 0.82 -0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.55 3h1h n SER 46 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3h1h s ARG 47 N -2.31 2.46 0.00 4.33 0.52 -1.19 -5.05 118.95 117.72 3h1h s ARG 47 Ca 0.35 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.29 3h1h s ARG 47 Cb 0.20 -2.29 0.00 0.00 0.52 0.00 0.00 34.95 33.38 3h1h s ARG 47 CO 0.39 0.39 0.81 0.43 0.02 0.00 0.00 175.30 177.34 3h1h n SER 48 N -0.82 1.56 -0.97 0.23 7.64 -1.26 -4.77 113.62 115.23 3h1h n SER 48 Ca -0.07 -1.64 -0.00 0.00 1.01 0.00 0.00 58.87 58.17 3h1h n SER 48 Cb 0.58 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.77 3h1h n SER 48 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3h1h n HIS 49 N -0.32 0.00 -3.63 1.43 -0.00 -1.26 -5.12 115.22 106.32 3h1h n HIS 49 Ca 0.00 -0.30 -0.36 0.00 -0.00 0.00 0.00 57.72 57.06 3h1h n HIS 49 Cb 0.19 0.11 -0.06 0.00 -0.00 0.00 0.00 29.99 30.23 3h1h n HIS 49 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 3h1h s THR 50 N 0.00 5.17 -0.00 3.57 -1.32 -1.26 -4.99 115.64 116.81 3h1h s THR 50 Ca 0.12 0.48 0.11 0.00 -1.21 0.00 0.00 61.69 61.18 3h1h s THR 50 Cb 0.13 -3.62 -0.10 0.00 -1.51 0.00 0.00 72.50 67.40 3h1h s THR 50 CO -0.06 0.44 1.30 -0.33 -2.21 0.00 0.00 174.62 173.76 3h1h h GLU 51 N 4.23 0.00 -6.31 7.08 4.39 -2.00 -3.48 114.58 118.50 3h1h h GLU 51 Ca -0.51 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.61 3h1h h GLU 51 Cb 1.21 0.00 0.18 0.00 -0.10 0.00 0.00 28.75 30.04 3h1h h GLU 51 CO 0.64 0.76 -0.77 -1.91 -1.16 0.00 0.00 179.01 176.56 3h1h n GLU 52 N -3.27 0.25 -4.02 2.33 2.13 -1.26 -5.06 120.64 111.74 3h1h n GLU 52 Ca -0.00 0.10 -0.08 0.00 0.66 0.00 0.00 57.16 57.84 3h1h n GLU 52 Cb 0.86 -1.42 -0.09 0.00 0.27 0.00 0.00 31.44 31.06 3h1h n GLU 52 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3h1h s GLN 53 N -1.79 0.71 -0.33 5.31 -0.21 -1.26 -5.05 119.66 117.05 3h1h s GLN 53 Ca 0.62 -1.16 0.09 0.00 0.02 0.00 0.00 55.36 54.93 3h1h s GLN 53 Cb -0.43 0.25 0.61 0.00 1.00 0.00 0.00 33.01 34.45 3h1h s GLN 53 CO 0.61 -0.17 1.67 0.00 -2.12 0.00 0.00 175.29 175.28 3h1h h THR 55 N 1.51 0.00 -0.83 0.00 2.02 -1.98 -0.68 112.91 112.95 3h1h h THR 55 Ca 0.32 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.64 3h1h h THR 55 Cb 2.14 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 68.41 3h1h h THR 55 CO 0.65 0.00 -0.30 1.21 0.37 0.00 0.00 175.52 177.46 3h1h n GLU 56 N -3.77 -0.17 -0.19 6.66 2.13 -1.26 0.65 120.64 124.70 3h1h n GLU 56 Ca -0.06 1.28 -0.09 0.00 0.66 0.00 0.00 57.16 58.95 3h1h n GLU 56 Cb 0.22 -1.90 0.01 0.00 0.27 0.00 0.00 31.44 30.04 3h1h n GLU 56 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3h1h h GLU 57 N 0.00 0.89 -0.85 5.31 3.07 -1.88 -0.23 114.58 120.89 3h1h h GLU 57 Ca 0.31 -0.24 0.06 0.00 -0.50 0.00 0.00 59.36 58.99 3h1h h GLU 57 Cb 0.52 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.27 3h1h h GLU 57 CO -0.83 0.87 0.53 1.25 -1.40 0.00 0.00 179.01 179.42 3h1h h LEU 58 N 0.78 0.84 0.64 1.33 5.85 0.18 -1.85 115.31 123.08 3h1h h LEU 58 Ca 0.16 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 3h1h h LEU 58 Cb 0.41 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.28 3h1h h LEU 58 CO 0.01 0.54 -0.31 -0.26 -0.34 0.00 0.00 178.44 178.09 3h1h h PHE 59 N 0.97 -0.80 -1.33 1.25 0.04 -0.33 0.11 116.94 116.86 3h1h h PHE 59 Ca 0.36 -0.02 0.42 0.00 2.80 0.00 0.00 57.97 61.53 3h1h h PHE 59 Cb 0.14 0.26 -0.11 0.00 2.20 0.00 0.00 35.95 38.44 3h1h h PHE 59 CO -0.03 -0.45 0.88 -0.44 -0.60 0.00 0.00 178.31 177.66 3h1h h ASP 60 N -1.12 0.23 0.34 2.17 3.32 -0.81 0.42 116.42 120.97 3h1h h ASP 60 Ca -0.09 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3h1h h ASP 60 Cb 0.70 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.34 3h1h h ASP 60 CO 0.14 -0.11 -0.16 0.15 -1.72 0.00 0.00 179.24 177.54 3h1h h PHE 61 N 0.11 -0.42 -0.95 4.55 3.57 -1.00 -2.72 116.94 120.08 3h1h h PHE 61 Ca 0.78 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.44 3h1h h PHE 61 Cb 2.51 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 41.31 3h1h h PHE 61 CO -0.00 -0.22 0.60 -0.07 -2.23 0.00 0.00 178.31 176.39 3h1h h LEU 62 N -1.10 0.69 -0.42 0.59 3.38 0.11 0.17 115.31 118.74 3h1h h LEU 62 Ca -0.05 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3h1h h LEU 62 Cb 0.40 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3h1h h LEU 62 CO 0.08 0.31 0.13 -0.74 0.09 0.00 0.00 178.44 178.30 3h1h h HIS 63 N 0.71 0.68 -0.25 1.13 2.76 -0.35 0.76 115.15 120.59 3h1h h HIS 63 Ca 0.50 -0.07 -0.17 0.00 -2.20 0.00 0.00 60.37 58.44 3h1h h HIS 63 Cb 0.83 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.60 3h1h h HIS 63 CO -0.00 0.63 -0.49 0.00 -1.30 0.00 0.00 177.93 176.76 3h1h h ALA 64 N 0.98 0.39 0.54 5.26 0.00 -0.81 -1.89 119.26 123.73 3h1h h ALA 64 Ca 0.14 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 3h1h h ALA 64 Cb 0.27 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3h1h h ALA 64 CO -0.00 0.56 -0.26 -0.09 0.00 0.00 0.00 179.25 179.46 3h1h h ARG 65 N 0.51 -0.70 -0.89 0.00 2.43 -0.62 -2.88 114.38 112.23 3h1h h ARG 65 Ca 0.01 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 3h1h h ARG 65 Cb 1.10 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.75 3h1h h ARG 65 CO 0.11 -0.39 0.56 -0.44 -1.51 0.00 0.00 179.97 178.30 3h1h h ASP 66 N -0.96 0.89 -0.69 -3.80 3.45 -0.94 0.16 116.42 114.52 3h1h h ASP 66 Ca -0.07 0.01 0.08 0.00 0.43 0.00 0.00 57.03 57.48 3h1h h ASP 66 Cb 0.63 -0.18 -0.07 0.00 -0.56 0.00 0.00 39.33 39.16 3h1h h ASP 66 CO 0.12 0.57 0.35 -0.74 -1.57 0.00 0.00 179.24 177.98 3h1h h HIS 67 N 1.03 0.63 -0.08 4.55 2.76 -1.35 -1.20 115.15 121.48 3h1h h HIS 67 Ca 0.38 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.58 3h1h h HIS 67 Cb 0.15 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 28.92 3h1h h HIS 67 CO -0.02 0.25 0.05 0.00 -1.30 0.00 0.00 177.93 176.90 3h1h h VAL 69 N 0.06 0.51 -0.77 0.00 2.07 -0.03 -2.23 116.25 115.86 3h1h h VAL 69 Ca 0.03 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.73 3h1h h VAL 69 Cb 0.06 0.51 -0.13 0.00 -1.52 0.00 0.00 31.29 30.21 3h1h h VAL 69 CO -0.01 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.62 3h1h h ALA 70 N 0.96 0.84 -0.68 1.67 0.00 -1.20 0.43 119.26 121.29 3h1h h ALA 70 Ca 0.13 0.23 0.20 0.00 0.00 0.00 0.00 54.91 55.47 3h1h h ALA 70 Cb 0.37 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3h1h h ALA 70 CO -0.34 -0.42 0.51 0.45 0.00 0.00 0.00 179.25 179.45 3h1h h HIS 71 N 0.12 0.00 0.00 0.00 3.86 -1.35 -3.32 115.15 114.46 3h1h h HIS 71 Ca 0.43 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.60 3h1h h HIS 71 Cb 0.76 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 3h1h h HIS 71 CO -0.40 0.00 -1.14 1.63 0.86 0.00 0.00 177.93 178.89 3h1h n LYS 72 N -4.22 0.26 -0.33 2.45 5.02 0.39 -4.86 118.16 116.87 3h1h n LYS 72 Ca 0.13 0.01 0.05 0.00 -2.02 0.00 0.00 58.31 56.48 3h1h n LYS 72 Cb 0.77 -1.05 0.12 0.00 -0.02 0.00 0.00 35.03 34.85 3h1h n LYS 72 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3h1h n LEU 73 N -2.54 -0.37 0.06 -0.35 7.94 0.12 -0.40 117.00 121.46 3h1h n LEU 73 Ca -0.04 1.58 0.07 0.00 -1.11 0.00 0.00 56.01 56.51 3h1h n LEU 73 Cb 0.55 -0.46 0.32 0.00 0.53 0.00 0.00 43.42 44.36 3h1h n LEU 73 CO 0.03 -1.50 0.72 0.49 -1.11 0.00 0.00 177.39 176.01 3h1h n PHE 74 N -5.48 0.31 0.15 1.96 0.99 -1.26 -2.09 117.46 112.05 3h1h n PHE 74 Ca 0.14 0.14 0.01 0.00 -0.00 0.00 0.00 57.45 57.73 3h1h n PHE 74 Cb 0.45 -0.72 0.29 0.00 -1.00 0.00 0.00 39.48 38.50 3h1h n PHE 74 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3h1h h ASN 75 N 0.00 0.06 0.06 4.37 2.35 -1.07 -3.07 115.58 118.29 3h1h h ASN 75 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3h1h h ASN 75 Cb 0.18 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3h1h h ASN 75 CO 0.00 0.48 -0.29 0.29 -1.65 0.00 0.00 177.43 176.26 3h1h n LYS 76 N -4.03 1.30 -3.87 0.81 5.02 -0.89 -4.95 118.16 111.55 3h1h n LYS 76 Ca -0.02 -0.96 -0.27 0.00 -2.02 0.00 0.00 58.31 55.04 3h1h n LYS 76 Cb 0.46 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 3h1h n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1h s LEU 77 N -2.36 4.31 0.00 -0.35 1.43 -1.16 -4.96 118.68 115.58 3h1h s LEU 77 Ca 0.24 0.25 0.27 0.00 -1.03 0.00 0.00 54.13 53.86 3h1h s LEU 77 Cb 0.19 -2.99 0.88 0.00 0.03 0.00 0.00 46.19 44.31 3h1h s LEU 77 CO 0.49 0.04 1.65 1.17 0.23 0.00 0.00 176.35 179.93