#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1h s LEU 13 N 0.00 1.51 -0.10 4.31 1.43 -1.26 -5.16 118.68 119.41 3h1h s LEU 13 Ca 0.00 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 3h1h s LEU 13 Cb 0.00 0.47 -0.00 0.00 0.03 0.00 0.00 46.19 46.69 3h1h s LEU 13 CO 0.00 -0.08 -0.23 -0.69 0.23 0.00 0.00 176.35 175.58 3h1h s VAL 14 N -0.08 2.13 -0.50 -1.59 1.01 -1.26 -5.09 120.40 115.02 3h1h s VAL 14 Ca -0.02 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.70 3h1h s VAL 14 Cb -0.02 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.58 3h1h s VAL 14 CO 0.00 0.56 1.06 -0.62 0.00 0.00 0.00 175.10 176.10 3h1h s ASP 15 N 0.31 6.51 0.32 3.32 3.68 -1.26 -4.88 116.67 124.67 3h1h s ASP 15 Ca -0.17 0.18 0.07 0.00 2.13 0.00 0.00 52.55 54.75 3h1h s ASP 15 Cb -0.18 -2.50 0.36 0.00 -1.45 0.00 0.00 42.92 39.15 3h1h s ASP 15 CO 0.08 -1.23 1.03 -0.81 0.13 0.00 0.00 175.17 174.37 3h1h n PRO 16 N 7.71 0.05 0.19 4.34 -0.04 -1.26 -1.47 135.00 144.52 3h1h n PRO 16 Ca 0.08 0.51 -0.08 0.00 -0.04 0.00 0.00 63.50 63.98 3h1h n PRO 16 Cb 0.49 -2.18 -0.04 0.00 -0.04 0.00 0.00 33.50 31.73 3h1h n PRO 16 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3h1h h LEU 17 N 0.00 -0.43 -1.83 1.53 5.85 -1.94 -2.17 115.31 116.33 3h1h h LEU 17 Ca 0.00 0.01 0.25 0.00 0.84 0.00 0.00 57.88 58.99 3h1h h LEU 17 Cb 1.03 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 3h1h h LEU 17 CO 0.00 -0.24 0.65 0.71 -0.34 0.00 0.00 178.44 179.22 3h1h h THR 18 N -0.65 0.57 0.10 1.05 1.35 -1.68 0.63 112.91 114.29 3h1h h THR 18 Ca -0.05 -0.04 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 3h1h h THR 18 Cb 0.39 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.23 3h1h h THR 18 CO 0.09 0.02 -0.05 0.74 -0.25 0.00 0.00 175.52 176.07 3h1h h THR 19 N 0.13 1.10 0.00 6.82 2.02 -1.56 -2.34 112.91 119.08 3h1h h THR 19 Ca 0.46 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3h1h h THR 19 Cb 1.61 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 3h1h h THR 19 CO -0.07 0.21 0.00 0.40 0.37 0.00 0.00 175.52 176.43 3h1h h ILE 20 N -0.57 0.00 -0.11 3.11 2.04 -0.58 -1.92 117.51 119.49 3h1h h ILE 20 Ca -0.01 -0.46 -0.13 0.00 1.00 0.00 0.00 64.86 65.26 3h1h h ILE 20 Cb 0.46 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3h1h h ILE 20 CO 0.02 0.00 -0.43 0.03 0.00 0.00 0.00 178.15 177.77 3h1h h ARG 21 N 0.00 0.49 0.53 2.37 2.47 -0.85 -2.08 114.38 117.30 3h1h h ARG 21 Ca 0.00 -0.38 -0.03 0.00 -1.26 0.00 0.00 59.98 58.32 3h1h h ARG 21 Cb 0.50 0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.90 3h1h h ARG 21 CO 0.00 1.00 -0.25 0.93 0.56 0.00 0.00 179.97 182.21 3h1h h GLU 22 N 0.08 -0.68 -1.00 0.04 5.08 -0.99 -1.77 114.58 115.34 3h1h h GLU 22 Ca -0.02 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.57 3h1h h GLU 22 Cb 1.07 0.16 -0.11 0.00 0.50 0.00 0.00 28.75 30.37 3h1h h GLU 22 CO 0.09 -0.45 0.60 1.25 -1.00 0.00 0.00 179.01 179.51 3h1h h HIS 23 N -0.73 1.05 -0.04 4.33 2.76 -1.41 -1.84 115.15 119.27 3h1h h HIS 23 Ca -0.07 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 57.94 3h1h h HIS 23 Cb 0.56 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 3h1h h HIS 23 CO -0.03 0.22 -0.80 0.00 -1.30 0.00 0.00 177.93 176.02 3h1h h GLU 25 N 0.23 0.00 -0.99 0.00 5.08 -0.44 -1.14 114.58 117.31 3h1h h GLU 25 Ca -0.04 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.98 3h1h h GLU 25 Cb 1.39 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.44 3h1h h GLU 25 CO 0.13 0.00 0.43 1.04 -1.00 0.00 0.00 179.01 179.62 3h1h n GLN 26 N -2.57 1.89 -4.48 2.33 1.13 -1.18 -3.90 117.38 110.61 3h1h n GLN 26 Ca -0.01 -2.04 -0.33 0.00 -1.94 0.00 0.00 57.00 52.68 3h1h n GLN 26 Cb 0.10 -1.80 -0.10 0.00 0.11 0.00 0.00 30.24 28.55 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 -2.23 3.84 0.10 5.09 2.01 -0.43 -4.98 115.64 119.04 3h1h s THR 27 Ca 0.38 -0.58 -0.20 0.00 0.31 0.00 0.00 61.69 61.61 3h1h s THR 27 Cb 0.32 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 3h1h s THR 27 CO 0.08 0.49 1.11 1.21 -0.69 0.00 0.00 174.62 176.81 3h1h n GLU 28 N 1.83 -0.28 -0.25 4.92 2.13 -1.26 -0.51 120.64 127.23 3h1h n GLU 28 Ca -0.16 1.09 -0.04 0.00 0.66 0.00 0.00 57.16 58.71 3h1h n GLU 28 Cb 0.53 -1.61 0.07 0.00 0.27 0.00 0.00 31.44 30.71 3h1h n GLU 28 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3h1h h LYS 29 N 0.00 0.83 0.35 5.31 1.57 -1.96 -1.01 116.57 121.66 3h1h h LYS 29 Ca 0.10 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3h1h h LYS 29 Cb 0.26 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3h1h h LYS 29 CO -0.59 0.55 -0.17 0.00 -0.57 0.00 0.00 179.45 178.67 3h1h h VAL 31 N -0.68 0.55 -1.00 0.00 2.07 -0.67 0.81 116.25 117.34 3h1h h VAL 31 Ca -0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.58 3h1h h VAL 31 Cb 0.48 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 3h1h h VAL 31 CO 0.08 0.00 0.63 0.11 0.02 0.00 0.00 177.57 178.41 3h1h h LYS 32 N -0.09 1.00 0.07 1.57 1.57 -1.16 0.99 116.57 120.53 3h1h h LYS 32 Ca 0.16 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 3h1h h LYS 32 Cb 0.33 -0.23 0.02 0.00 0.08 0.00 0.00 32.23 32.44 3h1h h LYS 32 CO -0.37 0.66 -0.71 0.00 -0.57 0.00 0.00 179.45 178.46 3h1h h ALA 33 N 1.52 -0.01 -0.87 3.86 0.00 -0.76 -2.99 119.26 120.01 3h1h h ALA 33 Ca 0.47 -0.63 0.11 0.00 0.00 0.00 0.00 54.91 54.87 3h1h h ALA 33 Cb 0.41 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3h1h h ALA 33 CO -0.23 0.36 0.56 -0.09 0.00 0.00 0.00 179.25 179.85 3h1h h ARG 34 N -0.24 0.76 0.71 0.00 9.65 0.10 -1.69 114.38 123.67 3h1h h ARG 34 Ca -0.11 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.69 3h1h h ARG 34 Cb 1.48 -0.17 0.01 0.00 -1.39 0.00 0.00 29.97 29.89 3h1h h ARG 34 CO 0.14 0.50 -0.34 1.49 2.80 0.00 0.00 179.97 184.55 3h1h h GLU 35 N 0.78 -0.92 -0.47 0.20 4.81 -0.85 -2.11 114.58 116.02 3h1h h GLU 35 Ca 0.42 0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.85 3h1h h GLU 35 Cb 0.53 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 3h1h h GLU 35 CO -0.18 -0.59 0.42 0.00 -0.73 0.00 0.00 179.01 177.93 3h1h h ARG 36 N -1.13 0.00 0.06 1.92 3.08 -1.29 -1.27 114.38 115.75 3h1h h ARG 36 Ca -0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3h1h h ARG 36 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3h1h h ARG 36 CO 0.16 0.00 -0.03 1.25 -1.07 0.00 0.00 179.97 180.28 3h1h h LEU 37 N 0.00 -0.07 -0.71 3.04 5.85 -1.06 -2.29 115.31 120.07 3h1h h LEU 37 Ca 0.23 -0.49 0.11 0.00 0.84 0.00 0.00 57.88 58.57 3h1h h LEU 37 Cb 1.06 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.03 3h1h h LEU 37 CO -0.00 0.48 0.31 -0.33 -0.34 0.00 0.00 178.44 178.56 3h1h h GLU 38 N -0.65 0.50 0.18 1.25 5.08 -0.56 0.27 114.58 120.65 3h1h h GLU 38 Ca -0.01 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3h1h h GLU 38 Cb 0.55 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3h1h h GLU 38 CO 0.01 0.33 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.15 3h1h h LEU 39 N 0.51 -0.33 0.29 1.33 3.38 -1.44 0.28 115.31 119.33 3h1h h LEU 39 Ca 0.37 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3h1h h LEU 39 Cb 0.46 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3h1h h LEU 39 CO -0.32 -0.20 -0.41 0.00 0.09 0.00 0.00 178.44 177.59 3h1h h ASP 41 N -0.76 -1.31 -0.40 0.00 3.58 -0.32 0.15 116.42 117.36 3h1h h ASP 41 Ca -0.01 0.21 0.08 0.00 0.42 0.00 0.00 57.03 57.73 3h1h h ASP 41 Cb 0.71 0.59 -0.09 0.00 1.72 0.00 0.00 39.33 42.26 3h1h h ASP 41 CO -0.14 -0.35 -0.29 0.00 -2.88 0.00 0.00 179.24 175.58 3h1h h ALA 42 N 0.55 -0.11 0.00 -0.78 0.00 0.05 0.18 119.26 119.14 3h1h h ALA 42 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3h1h h ALA 42 Cb 0.57 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3h1h h ALA 42 CO -0.57 -0.68 0.00 0.07 0.00 0.00 0.00 179.25 178.07 3h1h h ARG 43 N -0.23 0.00 0.02 0.00 0.11 -0.25 -2.14 114.38 111.90 3h1h h ARG 43 Ca 0.18 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.99 3h1h h ARG 43 Cb 0.52 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.56 3h1h h ARG 43 CO -0.53 0.00 -1.48 0.28 0.10 0.00 0.00 179.97 178.35 3h1h h VAL 44 N 0.00 1.15 0.00 0.08 2.07 0.33 -3.30 116.25 116.57 3h1h h VAL 44 Ca 0.00 -2.93 -0.10 0.00 0.82 0.00 0.00 66.70 64.49 3h1h h VAL 44 Cb 0.65 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 3h1h h VAL 44 CO 0.00 0.69 -0.48 0.28 0.02 0.00 0.00 177.57 178.08 3h1h h SER 45 N 0.01 0.00 0.73 0.57 0.02 -0.59 -3.30 113.55 110.99 3h1h h SER 45 Ca -0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3h1h h SER 45 Cb 1.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.48 3h1h h SER 45 CO 0.10 0.48 -0.20 -1.54 -1.14 0.00 0.00 176.83 174.54 3h1h n SER 46 N -3.24 0.24 -4.92 3.07 3.41 -0.81 -4.90 113.62 106.47 3h1h n SER 46 Ca 0.02 0.08 -0.22 0.00 -0.26 0.00 0.00 58.87 58.49 3h1h n SER 46 Cb 0.71 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 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 -2.93 2.44 -0.02 4.33 0.52 -1.24 -5.06 118.95 116.99 3h1h s ARG 47 Ca 0.15 -1.66 0.03 0.00 -0.52 0.00 0.00 55.73 53.73 3h1h s ARG 47 Cb 0.19 -2.38 0.04 0.00 0.52 0.00 0.00 34.95 33.32 3h1h s ARG 47 CO 0.58 -0.42 0.83 0.43 0.02 0.00 0.00 175.30 176.75 3h1h n SER 48 N -1.74 0.79 -0.92 0.23 7.64 -1.26 -4.85 113.62 113.50 3h1h n SER 48 Ca 0.05 -1.79 -0.02 0.00 1.01 0.00 0.00 58.87 58.12 3h1h n SER 48 Cb 0.62 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 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 -3.65 1.43 -0.00 -1.26 -5.13 115.22 106.29 3h1h n HIS 49 Ca 0.02 -0.32 -0.35 0.00 -0.00 0.00 0.00 57.72 57.08 3h1h n HIS 49 Cb 0.52 0.23 -0.05 0.00 -0.00 0.00 0.00 29.99 30.69 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 5.19 0.08 3.57 -1.32 -1.26 -4.99 115.64 116.90 3h1h s THR 50 Ca 0.07 0.36 0.08 0.00 -1.21 0.00 0.00 61.69 61.00 3h1h s THR 50 Cb 0.08 -3.61 -0.20 0.00 -1.51 0.00 0.00 72.50 67.26 3h1h s THR 50 CO -0.04 0.36 1.18 -0.33 -2.21 0.00 0.00 174.62 173.58 3h1h h GLU 51 N 3.95 0.00 -6.19 7.08 4.39 -2.00 -3.48 114.58 118.33 3h1h h GLU 51 Ca -0.50 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.62 3h1h h GLU 51 Cb 1.20 0.00 0.19 0.00 -0.10 0.00 0.00 28.75 30.04 3h1h h GLU 51 CO 0.66 0.88 -1.08 -1.91 -1.16 0.00 0.00 179.01 176.40 3h1h n GLU 52 N -3.29 0.10 -3.95 2.33 2.13 -1.26 -5.05 120.64 111.65 3h1h n GLU 52 Ca -0.03 0.05 -0.08 0.00 0.66 0.00 0.00 57.16 57.75 3h1h n GLU 52 Cb 0.95 -1.25 -0.08 0.00 0.27 0.00 0.00 31.44 31.33 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 -1.73 0.83 -0.30 5.31 -0.21 -1.26 -5.05 119.66 117.24 3h1h s GLN 53 Ca 0.56 -1.08 0.10 0.00 0.02 0.00 0.00 55.36 54.96 3h1h s GLN 53 Cb -0.39 0.31 0.59 0.00 1.00 0.00 0.00 33.01 34.52 3h1h s GLN 53 CO 0.67 -0.25 1.61 0.00 -2.12 0.00 0.00 175.29 175.20 3h1h h THR 55 N 1.52 0.00 -0.91 0.00 2.02 -1.98 -1.16 112.91 112.40 3h1h h THR 55 Ca 0.26 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.59 3h1h h THR 55 Cb 1.97 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 68.22 3h1h h THR 55 CO 0.55 0.00 -0.31 1.21 0.37 0.00 0.00 175.52 177.34 3h1h n GLU 56 N -4.62 -0.17 -0.18 6.66 2.13 -1.26 -0.05 120.64 123.14 3h1h n GLU 56 Ca -0.10 1.41 -0.09 0.00 0.66 0.00 0.00 57.16 59.04 3h1h n GLU 56 Cb 0.35 -2.09 0.01 0.00 0.27 0.00 0.00 31.44 29.98 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 0.90 -0.82 5.31 3.07 -1.88 -0.86 114.58 120.30 3h1h h GLU 57 Ca 0.36 -0.27 0.04 0.00 -0.50 0.00 0.00 59.36 58.99 3h1h h GLU 57 Cb 0.59 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 28.35 3h1h h GLU 57 CO -0.92 0.90 0.52 1.25 -1.40 0.00 0.00 179.01 179.37 3h1h h LEU 58 N 0.78 0.85 0.78 1.33 5.85 0.83 -2.09 115.31 123.64 3h1h h LEU 58 Ca 0.15 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3h1h h LEU 58 Cb 0.47 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.32 3h1h h LEU 58 CO 0.02 0.58 -0.37 -0.26 -0.34 0.00 0.00 178.44 178.06 3h1h h PHE 59 N 1.00 -0.97 -1.33 1.25 0.04 -0.31 -0.66 116.94 115.96 3h1h h PHE 59 Ca 0.33 -0.02 0.45 0.00 2.80 0.00 0.00 57.97 61.53 3h1h h PHE 59 Cb 0.05 0.32 -0.14 0.00 2.20 0.00 0.00 35.95 38.38 3h1h h PHE 59 CO -0.03 -0.60 0.85 -0.44 -0.60 0.00 0.00 178.31 177.49 3h1h h ASP 60 N -1.28 0.23 0.38 2.17 3.32 -1.00 0.45 116.42 120.70 3h1h h ASP 60 Ca -0.11 0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3h1h h ASP 60 Cb 0.80 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3h1h h ASP 60 CO 0.18 -0.23 -0.18 0.15 -1.72 0.00 0.00 179.24 177.43 3h1h h PHE 61 N 0.05 -0.48 -0.95 4.55 3.57 -1.14 -2.65 116.94 119.90 3h1h h PHE 61 Ca 0.85 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.50 3h1h h PHE 61 Cb 2.66 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 41.47 3h1h h PHE 61 CO -0.01 -0.30 0.60 -0.07 -2.23 0.00 0.00 178.31 176.31 3h1h h LEU 62 N -1.03 0.70 -0.30 0.59 3.38 0.74 0.42 115.31 119.81 3h1h h LEU 62 Ca -0.05 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3h1h h LEU 62 Cb 0.39 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3h1h h LEU 62 CO 0.09 0.31 0.11 -0.74 0.09 0.00 0.00 178.44 178.30 3h1h h HIS 63 N 0.72 0.46 -0.32 1.13 2.76 -0.31 0.87 115.15 120.45 3h1h h HIS 63 Ca 0.50 -0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.52 3h1h h HIS 63 Cb 0.82 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 3h1h h HIS 63 CO -0.00 0.46 -0.24 0.00 -1.30 0.00 0.00 177.93 176.84 3h1h h ALA 64 N 0.95 0.47 0.44 5.26 0.00 -0.70 -1.66 119.26 124.02 3h1h h ALA 64 Ca 0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3h1h h ALA 64 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3h1h h ALA 64 CO -0.01 0.45 -0.21 -0.09 0.00 0.00 0.00 179.25 179.39 3h1h h ARG 65 N 0.50 -0.56 -0.76 0.00 2.43 -0.16 -3.01 114.38 112.82 3h1h h ARG 65 Ca 0.06 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3h1h h ARG 65 Cb 0.80 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.43 3h1h h ARG 65 CO 0.06 -0.27 0.48 -0.44 -1.51 0.00 0.00 179.97 178.29 3h1h h ASP 66 N -0.82 0.79 -0.78 -3.80 3.45 -0.90 -0.32 116.42 114.04 3h1h h ASP 66 Ca -0.06 -0.00 0.12 0.00 0.43 0.00 0.00 57.03 57.52 3h1h h ASP 66 Cb 0.55 -0.17 -0.08 0.00 -0.56 0.00 0.00 39.33 39.07 3h1h h ASP 66 CO 0.10 0.54 0.39 -0.74 -1.57 0.00 0.00 179.24 177.96 3h1h h HIS 67 N 0.94 0.68 0.15 4.55 2.76 -1.34 -0.99 115.15 121.90 3h1h h HIS 67 Ca 0.31 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.50 3h1h h HIS 67 Cb 0.02 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.80 3h1h h HIS 67 CO -0.03 0.20 -0.07 0.00 -1.30 0.00 0.00 177.93 176.72 3h1h h VAL 69 N -0.28 0.38 -0.62 0.00 2.07 0.11 -2.37 116.25 115.54 3h1h h VAL 69 Ca -0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.61 3h1h h VAL 69 Cb 0.22 0.38 -0.12 0.00 -1.52 0.00 0.00 31.29 30.26 3h1h h VAL 69 CO 0.03 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 177.28 3h1h h ALA 70 N 0.90 -0.04 -1.29 1.67 0.00 -1.21 0.66 119.26 119.94 3h1h h ALA 70 Ca 0.16 0.17 0.41 0.00 0.00 0.00 0.00 54.91 55.65 3h1h h ALA 70 Cb 0.46 0.81 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 3h1h h ALA 70 CO -0.43 -0.68 0.83 0.45 0.00 0.00 0.00 179.25 179.42 3h1h h HIS 71 N -0.15 0.53 0.00 0.00 3.86 -1.36 -3.26 115.15 114.76 3h1h h HIS 71 Ca 0.24 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.38 3h1h h HIS 71 Cb 0.55 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 3h1h h HIS 71 CO -0.66 -0.16 -1.35 1.63 0.86 0.00 0.00 177.93 178.25 3h1h n LYS 72 N -4.67 0.17 -0.31 2.45 5.02 0.30 -4.84 118.16 116.27 3h1h n LYS 72 Ca 0.35 0.04 0.09 0.00 -2.02 0.00 0.00 58.31 56.77 3h1h n LYS 72 Cb 1.36 -1.12 0.18 0.00 -0.02 0.00 0.00 35.03 35.43 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 -2.68 -0.21 0.08 -0.35 7.94 0.20 -0.05 117.00 121.93 3h1h n LEU 73 Ca -0.11 1.49 0.09 0.00 -1.11 0.00 0.00 56.01 56.37 3h1h n LEU 73 Cb 0.62 -0.49 0.39 0.00 0.53 0.00 0.00 43.42 44.47 3h1h n LEU 73 CO 0.06 -1.47 0.77 0.49 -1.11 0.00 0.00 177.39 176.14 3h1h n PHE 74 N -5.35 0.46 -0.04 1.96 0.99 -1.26 -2.42 117.46 111.80 3h1h n PHE 74 Ca 0.17 0.20 -0.05 0.00 -0.00 0.00 0.00 57.45 57.77 3h1h n PHE 74 Cb 0.55 -0.82 0.16 0.00 -1.00 0.00 0.00 39.48 38.37 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 0.63 0.23 4.37 2.35 -0.81 -3.05 115.58 119.30 3h1h h ASN 75 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 3h1h h ASN 75 Cb 0.22 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3h1h h ASN 75 CO 0.00 0.82 -0.27 0.29 -1.65 0.00 0.00 177.43 176.61 3h1h n LYS 76 N -4.15 0.85 -3.66 0.81 5.02 -1.02 -4.92 118.16 111.09 3h1h n LYS 76 Ca 0.00 -0.51 -0.29 0.00 -2.02 0.00 0.00 58.31 55.50 3h1h n LYS 76 Cb 0.38 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 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 -2.51 4.22 0.00 -0.35 1.43 -1.15 -4.98 118.68 115.34 3h1h s LEU 77 Ca 0.24 0.47 0.28 0.00 -1.03 0.00 0.00 54.13 54.09 3h1h s LEU 77 Cb 0.19 -3.23 1.07 0.00 0.03 0.00 0.00 46.19 44.25 3h1h s LEU 77 CO 0.53 -0.03 1.76 1.17 0.23 0.00 0.00 176.35 180.00