#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1j s LEU 13 N 0.00 3.61 -0.17 4.31 2.34 -1.26 -5.12 118.68 122.40 3h1j s LEU 13 Ca 0.00 -0.39 -0.03 0.00 0.06 0.00 0.00 54.13 53.78 3h1j s LEU 13 Cb 0.00 -2.66 0.05 0.00 -0.56 0.00 0.00 46.19 43.02 3h1j s LEU 13 CO 0.00 -0.81 0.03 -0.69 -1.06 0.00 0.00 176.35 173.82 3h1j s VAL 14 N -2.40 0.49 -0.26 1.48 1.01 -1.26 -5.10 120.40 114.36 3h1j s VAL 14 Ca 0.55 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 3h1j s VAL 14 Cb -0.10 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 3h1j s VAL 14 CO 0.34 -0.10 1.72 -0.62 0.00 0.00 0.00 175.10 176.43 3h1j s ASP 15 N 1.88 6.14 0.30 3.32 3.68 -1.26 -4.82 116.67 125.92 3h1j s ASP 15 Ca 0.00 1.51 0.11 0.00 2.13 0.00 0.00 52.55 56.30 3h1j s ASP 15 Cb -0.16 -2.53 0.58 0.00 -1.45 0.00 0.00 42.92 39.36 3h1j s ASP 15 CO -0.07 -1.47 1.20 -0.81 0.13 0.00 0.00 175.17 174.14 3h1j n PRO 16 N 8.03 0.07 -0.12 4.34 -0.04 -1.26 -0.69 135.00 145.34 3h1j n PRO 16 Ca 0.21 0.53 -0.10 0.00 -0.04 0.00 0.00 63.50 64.10 3h1j n PRO 16 Cb 0.46 -2.08 -0.02 0.00 -0.04 0.00 0.00 33.50 31.82 3h1j n PRO 16 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3h1j h LEU 17 N 0.00 0.55 0.02 1.53 5.85 -1.93 -2.08 115.31 119.25 3h1j h LEU 17 Ca 0.00 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3h1j h LEU 17 Cb 0.68 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3h1j h LEU 17 CO 0.00 0.64 -0.01 0.71 -0.34 0.00 0.00 178.44 179.43 3h1j h THR 18 N 0.43 1.33 -0.79 1.05 1.35 -1.30 -0.89 112.91 114.09 3h1j h THR 18 Ca 0.11 -1.14 0.16 0.00 -0.55 0.00 0.00 66.41 65.00 3h1j h THR 18 Cb 0.30 2.09 -0.15 0.00 -1.73 0.00 0.00 68.15 68.66 3h1j h THR 18 CO 0.00 0.29 -0.17 0.74 -0.25 0.00 0.00 175.52 176.13 3h1j h THR 19 N -0.53 0.22 0.00 6.82 2.02 -1.52 -0.28 112.91 119.64 3h1j h THR 19 Ca -0.00 -0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.99 3h1j h THR 19 Cb 0.50 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3h1j h THR 19 CO 0.01 0.00 -0.89 0.40 0.37 0.00 0.00 175.52 175.41 3h1j h ILE 20 N 0.01 1.53 -0.27 3.11 2.04 -1.40 -2.91 117.51 119.62 3h1j h ILE 20 Ca 0.39 -3.14 -0.05 0.00 1.00 0.00 0.00 64.86 63.06 3h1j h ILE 20 Cb 0.62 2.74 -0.02 0.00 -0.74 0.00 0.00 36.82 39.42 3h1j h ILE 20 CO -0.80 0.87 -0.04 0.03 0.00 0.00 0.00 178.15 178.20 3h1j h ARG 21 N 0.00 0.42 0.41 2.37 3.08 0.37 0.01 114.38 121.03 3h1j h ARG 21 Ca -0.01 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3h1j h ARG 21 Cb 1.67 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.67 3h1j h ARG 21 CO 0.12 0.48 -0.20 0.93 -1.07 0.00 0.00 179.97 180.23 3h1j h GLU 22 N 0.40 -0.53 -0.98 0.04 5.08 -1.15 -2.22 114.58 115.21 3h1j h GLU 22 Ca 0.09 0.04 0.34 0.00 -1.00 0.00 0.00 59.36 58.82 3h1j h GLU 22 Cb 0.34 0.12 -0.17 0.00 0.50 0.00 0.00 28.75 29.54 3h1j h GLU 22 CO 0.01 -0.35 0.39 1.25 -1.00 0.00 0.00 179.01 179.31 3h1j h HIS 23 N -0.81 0.59 -0.35 4.33 -0.00 -1.35 0.24 115.15 117.81 3h1j h HIS 23 Ca -0.06 0.05 -0.13 0.00 -0.00 0.00 0.00 60.37 60.24 3h1j h HIS 23 Cb 0.42 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 3h1j h HIS 23 CO 0.05 -0.36 -0.30 0.00 -0.00 0.00 0.00 177.93 177.32 3h1j n GLU 25 N -4.08 0.06 0.06 0.00 1.02 0.84 -0.65 120.64 117.90 3h1j n GLU 25 Ca -0.01 0.41 -0.08 0.00 -0.02 0.00 0.00 57.16 57.47 3h1j n GLU 25 Cb 0.47 -1.65 0.07 0.00 -0.02 0.00 0.00 31.44 30.31 3h1j n GLU 25 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3h1j h GLN 26 N 0.00 0.33 -6.20 3.49 7.50 -1.37 -3.30 115.11 115.55 3h1j h GLN 26 Ca 0.00 -0.25 -0.62 0.00 0.50 0.00 0.00 58.65 58.28 3h1j h GLN 26 Cb 0.17 0.05 0.14 0.00 0.05 0.00 0.00 27.48 27.89 3h1j h GLN 26 CO 0.00 0.88 -0.52 2.41 -1.50 0.00 0.00 178.83 180.10 3h1j n THR 27 N -3.85 1.54 0.00 -0.54 -1.04 0.18 -4.63 114.28 105.94 3h1j n THR 27 Ca -0.03 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 3h1j n THR 27 Cb 0.66 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 3h1j n THR 27 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3h1j n GLU 28 N 0.86 0.00 -0.03 -2.82 4.07 -1.26 -1.34 120.64 120.11 3h1j n GLU 28 Ca 0.12 0.77 -0.10 0.00 -0.06 0.00 0.00 57.16 57.89 3h1j n GLU 28 Cb 0.37 -1.24 -0.04 0.00 -0.06 0.00 0.00 31.44 30.47 3h1j n GLU 28 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3h1j h LYS 29 N 0.00 -0.35 -0.39 5.31 1.57 -1.95 -2.69 116.57 118.07 3h1j h LYS 29 Ca 0.00 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3h1j h LYS 29 Cb 0.00 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.31 3h1j h LYS 29 CO 0.00 -0.23 -0.51 0.00 -0.57 0.00 0.00 179.45 178.14 3h1j h VAL 31 N -0.35 0.06 -0.23 0.00 2.07 -0.93 3.22 116.25 120.10 3h1j h VAL 31 Ca 0.07 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.48 3h1j h VAL 31 Cb 0.53 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3h1j h VAL 31 CO -0.55 0.00 -0.31 0.11 0.02 0.00 0.00 177.57 176.84 3h1j h LYS 32 N -0.04 0.46 -0.03 1.57 1.79 -0.96 0.16 116.57 119.51 3h1j h LYS 32 Ca 0.33 -0.19 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 3h1j h LYS 32 Cb 0.60 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 3h1j h LYS 32 CO -0.90 0.72 -0.04 0.00 -1.08 0.00 0.00 179.45 178.15 3h1j h ALA 33 N 1.28 0.05 -0.46 3.86 0.00 0.38 0.05 119.26 124.42 3h1j h ALA 33 Ca 0.05 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.76 3h1j h ALA 33 Cb 0.74 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 3h1j h ALA 33 CO 0.06 -0.16 0.08 -0.09 0.00 0.00 0.00 179.25 179.14 3h1j h ARG 34 N -0.40 0.20 -0.03 0.00 9.65 0.58 0.54 114.38 124.92 3h1j h ARG 34 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3h1j h ARG 34 Cb 0.57 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3h1j h ARG 34 CO 0.01 0.13 0.01 1.49 2.80 0.00 0.00 179.97 184.41 3h1j h GLU 35 N 0.20 0.03 -0.91 0.20 4.81 -0.63 -0.17 114.58 118.12 3h1j h GLU 35 Ca 0.23 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.59 3h1j h GLU 35 Cb 0.30 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 3h1j h GLU 35 CO -0.31 0.02 0.59 0.00 -0.73 0.00 0.00 179.01 178.57 3h1j h ARG 36 N 0.03 0.75 0.26 1.92 3.08 -0.20 -1.57 114.38 118.65 3h1j h ARG 36 Ca 0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3h1j h ARG 36 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3h1j h ARG 36 CO -0.01 0.50 -0.12 1.25 -1.07 0.00 0.00 179.97 180.52 3h1j h LEU 37 N 0.78 -0.29 -0.77 3.04 5.85 -0.30 -2.60 115.31 121.01 3h1j h LEU 37 Ca 0.45 -0.22 0.18 0.00 0.84 0.00 0.00 57.88 59.13 3h1j h LEU 37 Cb 0.64 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 41.62 3h1j h LEU 37 CO -0.22 0.11 0.10 -0.33 -0.34 0.00 0.00 178.44 177.76 3h1j h GLU 38 N -0.75 0.16 -0.24 1.25 4.39 -0.52 0.17 114.58 119.04 3h1j h GLU 38 Ca -0.04 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.70 3h1j h GLU 38 Cb 0.50 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 3h1j h GLU 38 CO 0.06 0.11 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.92 3h1j h LEU 39 N 0.17 -0.16 0.63 1.33 3.38 -1.27 0.61 115.31 120.00 3h1j h LEU 39 Ca 0.44 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.44 3h1j h LEU 39 Cb 0.80 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3h1j h LEU 39 CO -0.62 -0.05 -0.35 0.00 0.09 0.00 0.00 178.44 177.51 3h1j n ASP 41 N -4.61 -0.61 -0.01 0.00 2.03 0.16 -1.30 116.55 112.21 3h1j n ASP 41 Ca -0.11 1.66 -0.09 0.00 0.52 0.00 0.00 54.79 56.77 3h1j n ASP 41 Cb 0.37 -0.38 -0.06 0.00 -0.72 0.00 0.00 41.12 40.33 3h1j n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h1j h ALA 42 N 1.33 -0.69 0.00 -1.67 0.00 -0.71 0.53 119.26 118.05 3h1j h ALA 42 Ca 0.33 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 3h1j h ALA 42 Cb 0.57 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3h1j h ALA 42 CO -0.95 -0.81 -0.18 0.07 0.00 0.00 0.00 179.25 177.39 3h1j h ARG 43 N -0.33 0.00 0.02 0.00 0.11 -0.89 -1.81 114.38 111.48 3h1j h ARG 43 Ca 0.02 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.02 3h1j h ARG 43 Cb 0.40 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.48 3h1j h ARG 43 CO -0.27 0.18 -0.34 0.28 0.10 0.00 0.00 179.97 179.91 3h1j h VAL 44 N 0.00 1.56 -0.19 0.08 2.07 -0.80 -0.58 116.25 118.39 3h1j h VAL 44 Ca -0.00 -2.09 0.05 0.00 0.82 0.00 0.00 66.70 65.48 3h1j h VAL 44 Cb 0.31 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 3h1j h VAL 44 CO 0.02 0.58 0.18 0.28 0.02 0.00 0.00 177.57 178.65 3h1j h SER 45 N -0.49 0.00 0.00 0.57 0.02 0.28 -3.26 113.55 110.67 3h1j h SER 45 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3h1j h SER 45 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3h1j h SER 45 CO 0.07 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.22 3h1j n SER 46 N -3.98 0.00 -4.35 3.07 3.41 -0.70 -4.88 113.62 106.19 3h1j n SER 46 Ca 0.02 0.19 -0.53 0.00 -0.26 0.00 0.00 58.87 58.29 3h1j n SER 46 Cb 0.31 -0.44 -0.11 0.00 -0.26 0.00 0.00 64.21 63.71 3h1j n SER 46 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3h1j n ARG 47 N -2.14 0.26 -2.72 4.33 3.00 -0.23 -4.89 116.66 114.28 3h1j n ARG 47 Ca 0.00 0.06 -0.32 0.00 -0.00 0.00 0.00 57.85 57.58 3h1j n ARG 47 Cb 0.00 -1.77 -0.06 0.00 0.00 0.00 0.00 32.46 30.63 3h1j n ARG 47 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3h1j s SER 48 N 7.15 6.79 -1.31 6.15 0.01 -1.26 -4.09 113.70 127.14 3h1j s SER 48 Ca 1.20 1.57 -0.00 0.00 1.31 0.00 0.00 55.95 60.04 3h1j s SER 48 Cb -1.27 -2.50 -0.00 0.00 0.21 0.00 0.00 66.02 62.46 3h1j s SER 48 CO 0.57 -0.42 0.69 1.57 0.41 0.00 0.00 173.24 176.07 3h1j n HIS 49 N -0.95 -1.91 -0.98 2.43 -0.00 -1.26 -5.00 115.22 107.55 3h1j n HIS 49 Ca 0.06 0.84 0.00 0.00 -0.00 0.00 0.00 57.72 58.62 3h1j n HIS 49 Cb 0.54 -4.38 0.00 0.00 -0.00 0.00 0.00 29.99 26.15 3h1j n HIS 49 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 3h1j n THR 50 N -4.27 0.00 -0.51 3.57 5.66 -1.26 -5.09 114.28 112.39 3h1j n THR 50 Ca -0.30 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 3h1j n THR 50 Cb 0.68 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 3h1j n THR 50 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 3h1j n GLU 51 N 0.00 0.26 -2.17 1.09 4.07 -1.26 -5.14 120.64 117.49 3h1j n GLU 51 Ca 0.00 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.83 3h1j n GLU 51 Cb 0.00 -0.02 0.10 0.00 -0.06 0.00 0.00 31.44 31.46 3h1j n GLU 51 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3h1j s GLU 52 N 0.00 1.76 0.17 5.31 2.12 -1.26 -5.12 118.70 121.68 3h1j s GLU 52 Ca 0.00 -0.37 -0.09 0.00 0.36 0.00 0.00 54.97 54.87 3h1j s GLU 52 Cb 0.00 -2.10 -0.01 0.00 0.26 0.00 0.00 34.13 32.28 3h1j s GLU 52 CO 0.00 -1.56 0.28 -0.65 -0.54 0.00 0.00 175.26 172.79 3h1j s GLN 53 N -5.40 1.16 -0.22 4.30 -0.21 -1.26 -5.07 119.66 112.96 3h1j s GLN 53 Ca 0.64 -1.20 0.12 0.00 0.02 0.00 0.00 55.36 54.94 3h1j s GLN 53 Cb -0.08 0.37 0.44 0.00 1.00 0.00 0.00 33.01 34.73 3h1j s GLN 53 CO 0.47 -0.42 1.30 0.00 -2.12 0.00 0.00 175.29 174.52 3h1j h THR 55 N 0.91 0.11 -0.81 0.00 2.02 -1.98 -1.16 112.91 112.00 3h1j h THR 55 Ca 0.07 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.39 3h1j h THR 55 Cb 1.24 0.11 -0.14 0.00 -1.74 0.00 0.00 68.15 67.62 3h1j h THR 55 CO 0.14 0.00 -0.34 -0.08 0.37 0.00 0.00 175.52 175.61 3h1j h GLU 56 N -1.18 -0.06 -0.50 6.66 4.81 -1.99 0.26 114.58 122.57 3h1j h GLU 56 Ca -0.12 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3h1j h GLU 56 Cb 0.92 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 3h1j h GLU 56 CO 0.17 -0.04 0.19 0.93 -0.73 0.00 0.00 179.01 179.53 3h1j h GLU 57 N -0.07 0.75 -0.89 1.92 3.07 -1.89 0.19 114.58 117.67 3h1j h GLU 57 Ca 0.31 -0.14 0.05 0.00 -0.50 0.00 0.00 59.36 59.08 3h1j h GLU 57 Cb 0.58 -0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 28.32 3h1j h GLU 57 CO -0.85 0.68 0.57 1.25 -1.40 0.00 0.00 179.01 179.26 3h1j h LEU 58 N 0.67 0.92 0.04 1.33 5.85 0.31 0.71 115.31 125.13 3h1j h LEU 58 Ca 0.17 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3h1j h LEU 58 Cb 0.21 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3h1j h LEU 58 CO -0.01 0.61 -0.02 -0.26 -0.34 0.00 0.00 178.44 178.42 3h1j h PHE 59 N 1.06 -0.05 -0.96 1.25 0.04 -0.11 0.33 116.94 118.50 3h1j h PHE 59 Ca 0.37 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.27 3h1j h PHE 59 Cb 0.09 0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.18 3h1j h PHE 59 CO -0.02 0.33 0.61 -0.44 -0.60 0.00 0.00 178.31 178.19 3h1j h ASP 60 N -0.43 0.83 0.57 2.17 3.32 -0.64 0.94 116.42 123.17 3h1j h ASP 60 Ca -0.01 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3h1j h ASP 60 Cb 0.40 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.84 3h1j h ASP 60 CO 0.01 0.43 -0.27 0.15 -1.72 0.00 0.00 179.24 177.83 3h1j h PHE 61 N 0.88 -0.71 -0.43 4.55 3.57 -0.63 -2.46 116.94 121.71 3h1j h PHE 61 Ca 0.48 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 62.06 3h1j h PHE 61 Cb 0.59 0.23 -0.09 0.00 2.79 0.00 0.00 35.95 39.47 3h1j h PHE 61 CO -0.00 -0.39 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.44 3h1j h LEU 62 N -1.12 -0.60 -0.46 0.59 3.38 0.35 0.21 115.31 117.65 3h1j h LEU 62 Ca -0.08 0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.14 3h1j h LEU 62 Cb 0.63 0.35 -0.09 0.00 0.09 0.00 0.00 40.66 41.64 3h1j h LEU 62 CO 0.13 -0.21 -0.12 -0.74 0.09 0.00 0.00 178.44 177.59 3h1j h HIS 63 N -0.08 -0.26 -0.41 1.13 2.76 0.85 0.11 115.15 119.25 3h1j h HIS 63 Ca 0.21 0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.31 3h1j h HIS 63 Cb 0.41 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 3h1j h HIS 63 CO -0.43 -0.20 -0.19 0.00 -1.30 0.00 0.00 177.93 175.80 3h1j h ALA 64 N 1.45 0.57 0.00 5.26 0.00 -0.86 -2.23 119.26 123.45 3h1j h ALA 64 Ca 0.22 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3h1j h ALA 64 Cb 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3h1j h ALA 64 CO -0.48 0.53 -0.00 -0.09 0.00 0.00 0.00 179.25 179.21 3h1j h ARG 65 N 0.66 -0.00 -0.86 0.00 2.43 0.35 -2.91 114.38 114.06 3h1j h ARG 65 Ca 0.09 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.45 3h1j h ARG 65 Cb 0.75 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.24 3h1j h ARG 65 CO 0.06 -0.00 0.57 -0.44 -1.51 0.00 0.00 179.97 178.65 3h1j h ASP 66 N -0.00 0.41 -0.55 -3.80 3.45 -0.94 0.32 116.42 115.30 3h1j h ASP 66 Ca -0.00 0.04 0.07 0.00 0.43 0.00 0.00 57.03 57.57 3h1j h ASP 66 Cb 0.00 -0.04 -0.06 0.00 -0.56 0.00 0.00 39.33 38.67 3h1j h ASP 66 CO 0.00 0.18 0.22 -0.74 -1.57 0.00 0.00 179.24 177.33 3h1j h HIS 67 N 0.41 0.39 0.13 4.55 2.76 -1.42 0.48 115.15 122.46 3h1j h HIS 67 Ca 0.44 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.63 3h1j h HIS 67 Cb 1.06 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.93 3h1j h HIS 67 CO -0.00 0.13 -0.06 0.00 -1.30 0.00 0.00 177.93 176.70 3h1j h VAL 69 N -0.31 0.09 0.00 0.00 2.07 0.21 0.51 116.25 118.82 3h1j h VAL 69 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3h1j h VAL 69 Cb 0.25 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3h1j h VAL 69 CO 0.03 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.62 3h1j n ALA 70 N -3.01 1.55 0.51 1.67 0.00 0.16 -1.24 120.51 120.14 3h1j n ALA 70 Ca -0.03 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.51 3h1j n ALA 70 Cb 0.36 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 3h1j n ALA 70 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3h1j n HIS 71 N -0.88 0.20 -0.14 0.00 8.25 0.17 -4.65 115.22 118.17 3h1j n HIS 71 Ca 0.01 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3h1j n HIS 71 Cb 0.00 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 30.72 3h1j n HIS 71 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3h1j n LYS 72 N -1.97 2.26 -0.29 -0.41 2.85 -0.96 -4.90 118.16 114.73 3h1j n LYS 72 Ca 0.01 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.36 3h1j n LYS 72 Cb 0.45 -0.19 0.21 0.00 -0.65 0.00 0.00 35.03 34.85 3h1j n LYS 72 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3h1j h LEU 73 N 0.00 -0.34 -1.95 -5.58 5.85 -1.44 0.16 115.31 112.01 3h1j h LEU 73 Ca 0.00 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3h1j h LEU 73 Cb 0.00 0.37 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3h1j h LEU 73 CO 0.00 -0.22 -0.05 -0.26 -0.34 0.00 0.00 178.44 177.57 3h1j h PHE 74 N 0.10 0.00 -0.97 1.25 0.05 -1.88 -1.72 116.94 113.77 3h1j h PHE 74 Ca 0.48 0.00 0.09 0.00 3.82 0.00 0.00 57.97 62.36 3h1j h PHE 74 Cb 0.90 0.00 -0.07 0.00 2.00 0.00 0.00 35.95 38.78 3h1j h PHE 74 CO -0.43 0.05 0.62 -0.91 -0.18 0.00 0.00 178.31 177.46 3h1j h ASN 75 N 0.00 0.93 1.78 2.17 2.35 -1.05 -0.85 115.58 120.92 3h1j h ASN 75 Ca -0.00 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3h1j h ASN 75 Cb 0.09 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3h1j h ASN 75 CO 0.01 0.56 -0.10 0.11 -1.65 0.00 0.00 177.43 176.36 3h1j h LYS 76 N 1.04 0.00 -7.05 0.81 1.57 -1.37 -3.45 116.57 108.12 3h1j h LYS 76 Ca 0.44 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.73 3h1j h LYS 76 Cb 0.32 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.68 3h1j h LYS 76 CO -0.20 0.10 0.19 -0.51 -0.57 0.00 0.00 179.45 178.46 3h1j s LEU 77 N -6.27 3.49 0.00 2.94 1.43 -0.32 -4.99 118.68 114.95 3h1j s LEU 77 Ca 0.06 1.01 0.28 0.00 -1.03 0.00 0.00 54.13 54.44 3h1j s LEU 77 Cb 0.06 -3.96 1.00 0.00 0.03 0.00 0.00 46.19 43.32 3h1j s LEU 77 CO 0.67 -0.71 1.72 1.17 0.23 0.00 0.00 176.35 179.43