#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1i s GLU 10 N 0.00 1.02 0.17 0.00 -1.05 -1.26 -5.15 118.70 112.43 3h1i s GLU 10 Ca 0.00 -0.92 -0.05 0.00 -0.15 0.00 0.00 54.97 53.84 3h1i s GLU 10 Cb 0.00 -0.03 -0.02 0.00 -0.44 0.00 0.00 34.13 33.64 3h1i s GLU 10 CO 0.00 -1.28 0.20 -1.21 0.95 0.00 0.00 175.26 173.92 3h1i s GLU 11 N 1.03 1.15 -0.09 -4.83 8.01 -1.26 -5.16 118.70 117.54 3h1i s GLU 11 Ca 0.28 -1.37 -0.04 0.00 0.01 0.00 0.00 54.97 53.85 3h1i s GLU 11 Cb -0.00 0.32 0.05 0.00 -4.31 0.00 0.00 34.13 30.19 3h1i s GLU 11 CO -0.05 -0.39 0.20 -2.00 0.01 0.00 0.00 175.26 173.02 3h1i s GLU 12 N -4.04 0.10 0.03 1.61 2.12 -1.26 -5.12 118.70 112.14 3h1i s GLU 12 Ca 0.25 0.55 -0.30 0.00 0.36 0.00 0.00 54.97 55.83 3h1i s GLU 12 Cb 0.05 -0.17 -0.07 0.00 0.26 0.00 0.00 34.13 34.20 3h1i s GLU 12 CO 0.04 -0.24 1.60 -1.17 -0.54 0.00 0.00 175.26 174.96 3h1i s LEU 13 N 1.86 4.35 -0.04 2.70 2.96 -1.26 -4.99 118.68 124.26 3h1i s LEU 13 Ca -0.03 2.37 0.02 0.00 -0.22 0.00 0.00 54.13 56.27 3h1i s LEU 13 Cb -0.12 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.03 3h1i s LEU 13 CO -0.07 -0.86 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.33 3h1i s VAL 14 N 2.84 0.77 -0.59 1.68 1.01 -1.26 -5.10 120.40 119.76 3h1i s VAL 14 Ca 0.72 -0.32 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 3h1i s VAL 14 Cb -0.37 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.33 3h1i s VAL 14 CO 0.31 0.26 1.07 -0.62 0.00 0.00 0.00 175.10 176.11 3h1i s ASP 15 N 0.44 6.35 0.59 3.32 3.68 -1.26 -4.88 116.67 124.91 3h1i s ASP 15 Ca -0.07 -0.24 0.29 0.00 2.13 0.00 0.00 52.55 54.67 3h1i s ASP 15 Cb -0.11 -2.49 1.01 0.00 -1.45 0.00 0.00 42.92 39.88 3h1i s ASP 15 CO 0.01 -1.39 1.31 -0.81 0.13 0.00 0.00 175.17 174.42 3h1i n PRO 16 N 8.02 0.01 0.32 4.34 -0.04 -1.26 -0.04 135.00 146.35 3h1i n PRO 16 Ca 0.04 1.01 -0.13 0.00 -0.04 0.00 0.00 63.50 64.39 3h1i n PRO 16 Cb 0.48 -2.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.38 3h1i n PRO 16 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3h1i h LEU 17 N 0.00 -0.75 -1.28 1.53 5.85 -1.92 -1.83 115.31 116.91 3h1i h LEU 17 Ca 0.55 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.48 3h1i h LEU 17 Cb 3.02 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 44.17 3h1i h LEU 17 CO -0.01 -0.51 0.60 0.71 -0.34 0.00 0.00 178.44 178.90 3h1i h THR 18 N -0.83 0.73 0.08 1.05 1.35 -0.87 -1.09 112.91 113.34 3h1i h THR 18 Ca -0.08 -0.21 -0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3h1i h THR 18 Cb 0.64 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 3h1i h THR 18 CO 0.12 0.11 -0.04 0.74 -0.25 0.00 0.00 175.52 176.20 3h1i h THR 19 N 0.61 1.05 0.00 6.82 2.02 -1.45 -2.69 112.91 119.28 3h1i h THR 19 Ca 0.50 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3h1i h THR 19 Cb 0.95 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 3h1i h THR 19 CO -0.25 0.11 0.00 0.40 0.37 0.00 0.00 175.52 176.15 3h1i h ILE 20 N -0.31 0.00 0.00 3.11 2.04 -0.68 -1.92 117.51 119.75 3h1i h ILE 20 Ca -0.01 -0.55 -0.12 0.00 1.00 0.00 0.00 64.86 65.17 3h1i h ILE 20 Cb 0.27 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3h1i h ILE 20 CO 0.02 0.00 -0.58 0.03 0.00 0.00 0.00 178.15 177.62 3h1i h ARG 21 N 0.00 0.00 0.02 2.37 3.08 -1.18 -1.50 114.38 117.17 3h1i h ARG 21 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h1i h ARG 21 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3h1i h ARG 21 CO 0.00 0.58 -0.01 0.93 -1.07 0.00 0.00 179.97 180.40 3h1i h GLU 22 N 0.00 -0.03 -1.36 0.04 5.08 -1.02 -0.86 114.58 116.43 3h1i h GLU 22 Ca -0.01 0.00 0.41 0.00 -1.00 0.00 0.00 59.36 58.76 3h1i h GLU 22 Cb 1.37 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.53 3h1i h GLU 22 CO 0.08 -0.02 0.93 1.25 -1.00 0.00 0.00 179.01 180.25 3h1i h HIS 23 N -0.04 0.32 0.06 4.33 2.76 -1.47 0.63 115.15 121.75 3h1i h HIS 23 Ca -0.00 0.01 -0.25 0.00 -2.20 0.00 0.00 60.37 57.94 3h1i h HIS 23 Cb 0.02 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 3h1i h HIS 23 CO 0.14 -0.07 -1.15 0.00 -1.30 0.00 0.00 177.93 175.56 3h1i h GLU 25 N 0.04 0.00 -0.84 0.00 5.08 0.18 -1.28 114.58 117.76 3h1i h GLU 25 Ca -0.08 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 3h1i h GLU 25 Cb 1.88 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.06 3h1i h GLU 25 CO 0.17 0.03 0.16 0.94 -1.00 0.00 0.00 179.01 179.30 3h1i n GLN 26 N -3.23 2.82 -3.91 2.33 -0.06 -1.01 -3.84 117.38 110.49 3h1i n GLN 26 Ca -0.02 -1.94 -0.34 0.00 -2.00 0.00 0.00 57.00 52.70 3h1i n GLN 26 Cb 0.19 -1.89 -0.05 0.00 -4.06 0.00 0.00 30.24 24.43 3h1i n GLN 26 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3h1i s THR 27 N -2.09 5.42 0.00 1.69 2.01 -0.48 -4.95 115.64 117.23 3h1i s THR 27 Ca 0.35 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.26 3h1i s THR 27 Cb 0.28 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.30 3h1i s THR 27 CO 0.09 0.40 0.41 1.21 -0.69 0.00 0.00 174.62 176.03 3h1i n GLU 28 N 1.21 0.00 -0.36 4.92 4.07 -1.26 -0.88 120.64 128.33 3h1i n GLU 28 Ca -0.13 0.41 0.27 0.00 -0.06 0.00 0.00 57.16 57.64 3h1i n GLU 28 Cb 0.53 -0.74 0.53 0.00 -0.06 0.00 0.00 31.44 31.70 3h1i n GLU 28 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3h1i h LYS 29 N 0.00 0.28 0.50 5.31 1.57 -1.96 -0.55 116.57 121.72 3h1i h LYS 29 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3h1i h LYS 29 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3h1i h LYS 29 CO 0.00 0.18 -0.24 0.00 -0.57 0.00 0.00 179.45 178.83 3h1i h VAL 31 N -0.81 0.34 0.00 0.00 2.07 0.25 1.92 116.25 120.01 3h1i h VAL 31 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3h1i h VAL 31 Cb 0.57 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3h1i h VAL 31 CO 0.11 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.99 3h1i n LYS 32 N -5.40 0.01 -0.10 1.57 4.76 -0.79 -0.12 118.16 118.09 3h1i n LYS 32 Ca -0.05 0.48 -0.19 0.00 -2.87 0.00 0.00 58.31 55.68 3h1i n LYS 32 Cb 0.32 -1.54 -0.06 0.00 -1.84 0.00 0.00 35.03 31.90 3h1i n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h1i n ALA 33 N -1.52 1.32 -0.34 7.82 0.00 0.07 -3.62 120.51 124.24 3h1i n ALA 33 Ca 0.00 -0.87 0.25 0.00 0.00 0.00 0.00 53.44 52.82 3h1i n ALA 33 Cb 0.02 0.14 0.54 0.00 0.00 0.00 0.00 19.45 20.15 3h1i n ALA 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3h1i h ARG 34 N -0.87 0.32 0.62 0.00 9.65 0.34 0.62 114.38 125.05 3h1i h ARG 34 Ca -0.38 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.45 3h1i h ARG 34 Cb 1.29 -0.07 0.01 0.00 -1.39 0.00 0.00 29.97 29.80 3h1i h ARG 34 CO -0.23 0.21 -0.30 1.49 2.80 0.00 0.00 179.97 183.94 3h1i h GLU 35 N 0.33 -0.80 -1.26 0.20 4.81 -0.71 -2.37 114.58 114.78 3h1i h GLU 35 Ca 0.63 0.05 0.38 0.00 -0.13 0.00 0.00 59.36 60.29 3h1i h GLU 35 Cb 1.70 0.18 -0.11 0.00 0.63 0.00 0.00 28.75 31.16 3h1i h GLU 35 CO -0.30 -0.50 0.83 0.00 -0.73 0.00 0.00 179.01 178.31 3h1i h ARG 36 N -1.14 0.16 0.27 1.92 3.08 0.08 -1.43 114.38 117.32 3h1i h ARG 36 Ca -0.09 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3h1i h ARG 36 Cb 0.68 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3h1i h ARG 36 CO 0.14 0.11 -0.13 1.25 -1.07 0.00 0.00 179.97 180.26 3h1i h LEU 37 N 0.17 -0.31 -0.63 3.04 5.85 -0.84 -2.87 115.31 119.72 3h1i h LEU 37 Ca 0.73 0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.57 3h1i h LEU 37 Cb 2.28 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 43.28 3h1i h LEU 37 CO -0.31 -0.01 -0.20 -0.62 -0.34 0.00 0.00 178.44 176.97 3h1i n GLU 38 N -4.20 -0.10 -0.03 1.25 -0.58 -0.58 0.21 120.64 116.62 3h1i n GLU 38 Ca -0.05 0.97 -0.08 0.00 -0.42 0.00 0.00 57.16 57.58 3h1i n GLU 38 Cb 0.15 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.54 3h1i n GLU 38 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3h1i h LEU 39 N 0.00 -0.28 0.65 -4.62 3.38 -1.50 0.19 115.31 113.13 3h1i h LEU 39 Ca 0.26 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 3h1i h LEU 39 Cb 0.42 0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.34 3h1i h LEU 39 CO -0.64 -0.11 -0.31 0.00 0.09 0.00 0.00 178.44 177.47 3h1i n ASP 41 N -5.39 -0.85 0.05 0.00 2.03 0.88 -0.24 116.55 113.03 3h1i n ASP 41 Ca -0.12 1.72 -0.04 0.00 0.52 0.00 0.00 54.79 56.86 3h1i n ASP 41 Cb 0.37 -0.30 -0.03 0.00 -0.72 0.00 0.00 41.12 40.44 3h1i n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h1i h ALA 42 N 0.87 -0.76 -0.61 -1.67 0.00 -0.84 0.40 119.26 116.65 3h1i h ALA 42 Ca 0.24 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.29 3h1i h ALA 42 Cb 0.48 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3h1i h ALA 42 CO -0.94 -0.78 0.54 0.07 0.00 0.00 0.00 179.25 178.14 3h1i h ARG 43 N -0.22 0.00 0.05 0.00 0.11 -0.32 0.25 114.38 114.25 3h1i h ARG 43 Ca -0.01 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.79 3h1i h ARG 43 Cb 0.21 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.26 3h1i h ARG 43 CO -0.05 0.00 -1.50 0.28 0.10 0.00 0.00 179.97 178.80 3h1i h VAL 44 N 0.00 1.14 0.61 0.08 2.07 -0.05 -3.17 116.25 116.93 3h1i h VAL 44 Ca 0.29 -2.88 -0.03 0.00 0.82 0.00 0.00 66.70 64.90 3h1i h VAL 44 Cb 1.36 2.64 0.01 0.00 -1.52 0.00 0.00 31.29 33.78 3h1i h VAL 44 CO -0.00 0.74 -0.29 0.28 0.02 0.00 0.00 177.57 178.31 3h1i h SER 45 N 0.03 -0.70 0.00 0.57 0.02 0.18 -3.32 113.55 110.33 3h1i h SER 45 Ca -0.22 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3h1i h SER 45 Cb 1.96 0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.68 3h1i h SER 45 CO 0.12 -0.41 0.00 -1.54 -1.14 0.00 0.00 176.83 173.86 3h1i n SER 46 N -5.40 0.00 -4.47 3.07 3.41 -0.59 -4.59 113.62 105.04 3h1i n SER 46 Ca -0.12 0.83 -0.49 0.00 -0.26 0.00 0.00 58.87 58.83 3h1i n SER 46 Cb 0.35 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 3h1i n SER 46 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h1i n ARG 47 N -1.90 0.43 -0.05 4.33 1.74 -1.20 -4.88 116.66 115.13 3h1i n ARG 47 Ca 0.00 0.15 0.05 0.00 -0.77 0.00 0.00 57.85 57.28 3h1i n ARG 47 Cb 0.00 -1.35 0.07 0.00 -1.02 0.00 0.00 32.46 30.16 3h1i n ARG 47 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3h1i n SER 48 N 1.78 2.13 -2.68 0.55 3.41 -1.26 -4.66 113.62 112.88 3h1i n SER 48 Ca 0.16 -1.59 -0.08 0.00 -0.26 0.00 0.00 58.87 57.10 3h1i n SER 48 Cb 0.25 -0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.17 3h1i n SER 48 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3h1i n HIS 49 N 0.51 1.39 -4.93 7.33 -0.00 -1.26 -5.08 115.22 113.18 3h1i n HIS 49 Ca 0.07 -2.58 -0.32 0.00 -0.00 0.00 0.00 57.72 54.90 3h1i n HIS 49 Cb 0.30 -0.31 -0.17 0.00 -0.00 0.00 0.00 29.99 29.81 3h1i n HIS 49 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 3h1i s THR 50 N -3.55 1.97 -2.00 3.57 -1.32 -1.26 -4.97 115.64 108.07 3h1i s THR 50 Ca 0.29 -0.95 0.09 0.00 -1.21 0.00 0.00 61.69 59.91 3h1i s THR 50 Cb 0.41 -1.72 0.25 0.00 -1.51 0.00 0.00 72.50 69.93 3h1i s THR 50 CO -0.00 0.54 1.06 -0.62 -2.21 0.00 0.00 174.62 173.39 3h1i n GLU 51 N 3.79 0.64 -0.68 7.08 -0.58 -1.26 -4.84 120.64 124.80 3h1i n GLU 51 Ca -0.20 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.24 3h1i n GLU 51 Cb 0.52 -1.22 0.17 0.00 -0.57 0.00 0.00 31.44 30.35 3h1i n GLU 51 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3h1i s GLU 52 N -2.00 0.86 -0.22 3.49 2.12 -1.26 -5.04 118.70 116.65 3h1i s GLU 52 Ca 0.13 1.51 -0.16 0.00 0.36 0.00 0.00 54.97 56.81 3h1i s GLU 52 Cb 0.06 -1.71 0.06 0.00 0.26 0.00 0.00 34.13 32.80 3h1i s GLU 52 CO 0.10 -2.73 0.56 -0.65 -0.54 0.00 0.00 175.26 172.01 3h1i s GLN 53 N -4.63 0.61 -0.52 4.30 -0.21 -1.26 -5.05 119.66 112.90 3h1i s GLN 53 Ca 0.67 0.90 0.00 0.00 0.02 0.00 0.00 55.36 56.96 3h1i s GLN 53 Cb -0.23 0.19 0.48 0.00 1.00 0.00 0.00 33.01 34.45 3h1i s GLN 53 CO 0.58 -0.12 1.95 0.00 -2.12 0.00 0.00 175.29 175.59 3h1i h THR 55 N 0.96 0.00 -0.64 0.00 2.02 -1.99 -2.26 112.91 111.00 3h1i h THR 55 Ca 0.55 -0.04 0.09 0.00 0.77 0.00 0.00 66.41 67.78 3h1i h THR 55 Cb 1.56 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.87 3h1i h THR 55 CO 1.26 0.00 -0.29 1.21 0.37 0.00 0.00 175.52 178.07 3h1i n GLU 56 N -2.49 -0.19 0.06 6.66 2.13 -1.26 0.15 120.64 125.70 3h1i n GLU 56 Ca -0.02 0.98 -0.11 0.00 0.66 0.00 0.00 57.16 58.67 3h1i n GLU 56 Cb 0.05 -1.45 -0.05 0.00 0.27 0.00 0.00 31.44 30.27 3h1i n GLU 56 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3h1i h GLU 57 N 0.00 -0.26 -1.05 5.31 3.07 -1.89 0.25 114.58 119.99 3h1i h GLU 57 Ca 0.19 0.02 0.28 0.00 -0.50 0.00 0.00 59.36 59.34 3h1i h GLU 57 Cb 0.35 0.06 -0.10 0.00 -0.84 0.00 0.00 28.75 28.22 3h1i h GLU 57 CO -0.63 -0.18 0.67 1.25 -1.40 0.00 0.00 179.01 178.73 3h1i h LEU 58 N -0.27 0.45 0.25 1.33 5.85 0.20 -0.58 115.31 122.54 3h1i h LEU 58 Ca 0.05 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3h1i h LEU 58 Cb 0.33 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3h1i h LEU 58 CO -0.14 0.07 -0.12 -0.26 -0.34 0.00 0.00 178.44 177.64 3h1i h PHE 59 N 0.39 -0.31 -0.94 1.25 0.04 0.92 -0.44 116.94 117.85 3h1i h PHE 59 Ca 0.61 -0.01 0.35 0.00 2.80 0.00 0.00 57.97 61.72 3h1i h PHE 59 Cb 1.55 0.10 -0.17 0.00 2.20 0.00 0.00 35.95 39.63 3h1i h PHE 59 CO -0.00 -0.20 0.34 -0.25 -0.60 0.00 0.00 178.31 177.60 3h1i n ASP 60 N -3.88 0.18 0.00 2.17 8.00 0.68 0.33 116.55 124.03 3h1i n ASP 60 Ca -0.04 1.56 0.00 0.00 0.71 0.00 0.00 54.79 57.02 3h1i n ASP 60 Cb 0.13 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 3h1i n ASP 60 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3h1i n PHE 61 N -5.21 0.00 -0.22 1.24 7.35 -0.29 -2.52 117.46 117.81 3h1i n PHE 61 Ca 0.31 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 57.00 3h1i n PHE 61 Cb 1.04 -0.01 0.04 0.00 0.35 0.00 0.00 39.48 40.90 3h1i n PHE 61 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3h1i n LEU 62 N -0.53 -0.34 -0.27 -2.13 4.77 -0.18 0.12 117.00 118.44 3h1i n LEU 62 Ca 0.00 1.03 -0.10 0.00 -0.03 0.00 0.00 56.01 56.90 3h1i n LEU 62 Cb 0.00 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 40.75 3h1i n LEU 62 CO 0.00 -0.94 0.49 -0.74 -1.33 0.00 0.00 177.39 174.87 3h1i h HIS 63 N 0.00 -1.55 -0.61 -1.77 2.76 -0.19 0.32 115.15 114.11 3h1i h HIS 63 Ca 0.23 0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.42 3h1i h HIS 63 Cb 0.37 0.76 -0.03 0.00 1.55 0.00 0.00 27.41 30.07 3h1i h HIS 63 CO -0.50 -0.35 0.10 0.00 -1.30 0.00 0.00 177.93 175.88 3h1i h ALA 64 N 0.09 1.01 -0.05 5.26 0.00 0.12 -1.28 119.26 124.42 3h1i h ALA 64 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3h1i h ALA 64 Cb 0.40 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3h1i h ALA 64 CO -0.69 0.63 0.00 -2.13 0.00 0.00 0.00 179.25 177.06 3h1i n ARG 65 N -4.22 0.00 -0.25 0.00 0.63 0.53 -2.66 116.66 110.68 3h1i n ARG 65 Ca 0.04 0.49 0.06 0.00 -0.92 0.00 0.00 57.85 57.52 3h1i n ARG 65 Cb 0.28 -1.44 0.18 0.00 0.45 0.00 0.00 32.46 31.94 3h1i n ARG 65 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3h1i h ASP 66 N 0.00 -0.08 -0.52 6.15 5.19 -0.54 0.15 116.42 126.77 3h1i h ASP 66 Ca 0.00 0.16 0.08 0.00 -0.62 0.00 0.00 57.03 56.65 3h1i h ASP 66 Cb 0.00 0.24 -0.10 0.00 0.18 0.00 0.00 39.33 39.65 3h1i h ASP 66 CO 0.00 -0.08 -0.44 -0.74 -3.12 0.00 0.00 179.24 174.86 3h1i h HIS 67 N 0.22 -1.29 -0.31 4.55 2.76 -1.26 0.62 115.15 120.44 3h1i h HIS 67 Ca 0.42 0.08 0.06 0.00 -2.20 0.00 0.00 60.37 58.74 3h1i h HIS 67 Cb 0.74 0.64 -0.06 0.00 1.55 0.00 0.00 27.41 30.28 3h1i h HIS 67 CO -0.30 -0.43 -0.10 0.00 -1.30 0.00 0.00 177.93 175.79 3h1i h VAL 69 N -0.04 0.29 0.00 0.00 2.07 0.18 0.14 116.25 118.89 3h1i h VAL 69 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 3h1i h VAL 69 Cb 0.27 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3h1i h VAL 69 CO -0.34 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.25 3h1i n ALA 70 N -3.15 1.78 1.30 1.67 0.00 0.11 -0.50 120.51 121.72 3h1i n ALA 70 Ca 0.08 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.54 3h1i n ALA 70 Cb 0.35 -1.26 0.30 0.00 0.00 0.00 0.00 19.45 18.85 3h1i n ALA 70 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3h1i n HIS 71 N -1.43 0.24 0.00 0.00 -0.00 0.49 -4.43 115.22 110.09 3h1i n HIS 71 Ca 0.05 -0.12 0.00 0.00 0.46 0.00 0.00 57.72 58.11 3h1i n HIS 71 Cb 0.17 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.04 3h1i n HIS 71 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 3h1i n LYS 72 N 0.16 0.00 -0.01 1.57 2.85 -1.12 -4.96 118.16 116.66 3h1i n LYS 72 Ca 0.13 0.00 0.23 0.00 -1.05 0.00 0.00 58.31 57.62 3h1i n LYS 72 Cb 0.25 0.00 0.63 0.00 -0.65 0.00 0.00 35.03 35.26 3h1i n LYS 72 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3h1i h LEU 73 N 0.00 0.00 -0.51 -5.58 5.85 -1.01 0.68 115.31 114.74 3h1i h LEU 73 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h1i h LEU 73 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3h1i h LEU 73 CO 0.00 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.59 3h1i n PHE 74 N -3.47 0.03 0.12 1.25 0.99 -1.26 -3.69 117.46 111.42 3h1i n PHE 74 Ca 0.13 -0.01 -0.24 0.00 -0.00 0.00 0.00 57.45 57.33 3h1i n PHE 74 Cb 0.95 0.00 -0.16 0.00 -1.00 0.00 0.00 39.48 39.28 3h1i n PHE 74 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3h1i h ASN 75 N 1.18 0.75 -0.40 4.37 2.35 -0.02 -3.30 115.58 120.52 3h1i h ASN 75 Ca 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.82 3h1i h ASN 75 Cb 0.25 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3h1i h ASN 75 CO 0.00 1.64 0.00 0.29 -1.65 0.00 0.00 177.43 177.71 3h1i n LYS 76 N -3.82 2.00 -4.37 0.81 5.02 -1.24 -4.85 118.16 111.71 3h1i n LYS 76 Ca -0.17 -1.55 -0.35 0.00 -2.02 0.00 0.00 58.31 54.22 3h1i n LYS 76 Cb 1.04 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 34.59 3h1i n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1i s LEU 77 N -1.11 3.53 0.00 -0.35 1.43 -1.24 -4.94 118.68 116.00 3h1i s LEU 77 Ca 0.30 0.10 0.25 0.00 -1.03 0.00 0.00 54.13 53.75 3h1i s LEU 77 Cb 0.16 -1.82 0.39 0.00 0.03 0.00 0.00 46.19 44.95 3h1i s LEU 77 CO 0.22 0.34 1.37 1.17 0.23 0.00 0.00 176.35 179.67