#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1l s LEU 13 N 0.00 1.25 -0.05 4.31 2.34 -1.26 -5.17 118.68 120.11 3h1l s LEU 13 Ca 0.00 -1.41 0.03 0.00 0.06 0.00 0.00 54.13 52.81 3h1l s LEU 13 Cb 0.00 0.34 0.00 0.00 -0.56 0.00 0.00 46.19 45.97 3h1l s LEU 13 CO 0.00 -0.84 -0.13 -0.69 -1.06 0.00 0.00 176.35 173.63 3h1l s VAL 14 N -4.06 1.17 -0.54 1.48 1.01 -1.26 -5.10 120.40 113.10 3h1l s VAL 14 Ca 0.39 -0.54 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 3h1l s VAL 14 Cb 0.07 -1.03 0.04 0.00 0.00 0.00 0.00 36.38 35.46 3h1l s VAL 14 CO 0.13 0.35 0.95 -0.62 0.00 0.00 0.00 175.10 175.91 3h1l s ASP 15 N 0.30 6.37 0.65 3.32 3.68 -1.26 -4.89 116.67 124.84 3h1l s ASP 15 Ca -0.08 -0.24 0.16 0.00 2.13 0.00 0.00 52.55 54.52 3h1l s ASP 15 Cb -0.12 -2.44 0.79 0.00 -1.45 0.00 0.00 42.92 39.69 3h1l s ASP 15 CO 0.02 -1.21 1.43 1.55 0.13 0.00 0.00 175.17 177.09 3h1l h PRO 16 N 9.28 0.00 0.04 4.34 0.13 -1.97 0.25 132.00 144.07 3h1l h PRO 16 Ca -0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3h1l h PRO 16 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3h1l h PRO 16 CO 1.08 0.00 -0.02 1.25 -0.23 0.00 0.00 178.00 180.08 3h1l h LEU 17 N 0.00 -0.04 -0.54 1.56 5.85 -1.92 -2.33 115.31 117.88 3h1l h LEU 17 Ca 0.07 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.46 3h1l h LEU 17 Cb 1.57 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 3h1l h LEU 17 CO -0.00 0.33 0.34 0.71 -0.34 0.00 0.00 178.44 179.47 3h1l h THR 18 N -0.42 1.08 0.40 1.05 1.35 -0.91 -0.93 112.91 114.53 3h1l h THR 18 Ca -0.01 -0.23 -0.01 0.00 -0.55 0.00 0.00 66.41 65.62 3h1l h THR 18 Cb 0.39 0.35 -0.03 0.00 -1.73 0.00 0.00 68.15 67.13 3h1l h THR 18 CO 0.01 0.12 -0.51 0.74 -0.25 0.00 0.00 175.52 175.63 3h1l h THR 19 N 0.67 0.02 0.00 6.82 2.02 -1.51 -1.98 112.91 118.95 3h1l h THR 19 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.39 3h1l h THR 19 Cb -0.01 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 3h1l h THR 19 CO -0.08 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.21 3h1l h ILE 20 N -0.94 0.00 0.00 3.11 2.04 -1.24 0.16 117.51 120.64 3h1l h ILE 20 Ca -0.05 -0.14 -0.20 0.00 1.00 0.00 0.00 64.86 65.47 3h1l h ILE 20 Cb 0.84 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3h1l h ILE 20 CO -0.13 0.00 -0.87 0.03 0.00 0.00 0.00 178.15 177.18 3h1l h ARG 21 N 0.00 0.20 0.21 2.37 3.08 -0.47 -2.37 114.38 117.40 3h1l h ARG 21 Ca 0.00 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 3h1l h ARG 21 Cb 0.16 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3h1l h ARG 21 CO 0.00 0.95 -0.10 0.93 -1.07 0.00 0.00 179.97 180.68 3h1l h GLU 22 N 0.11 -0.27 -0.90 0.04 5.08 -0.28 -1.08 114.58 117.29 3h1l h GLU 22 Ca -0.04 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3h1l h GLU 22 Cb 1.50 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.77 3h1l h GLU 22 CO 0.13 0.03 0.59 1.25 -1.00 0.00 0.00 179.01 180.02 3h1l h HIS 23 N -0.58 1.13 -0.12 4.33 2.76 -1.52 -2.71 115.15 118.45 3h1l h HIS 23 Ca -0.03 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.02 3h1l h HIS 23 Cb 0.43 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 3h1l h HIS 23 CO 0.02 0.72 -0.58 0.00 -1.30 0.00 0.00 177.93 176.79 3h1l n GLU 25 N -3.91 0.14 0.02 0.00 1.02 -0.41 -0.22 120.64 117.27 3h1l n GLU 25 Ca -0.03 0.17 -0.01 0.00 -0.02 0.00 0.00 57.16 57.28 3h1l n GLU 25 Cb 0.61 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.43 3h1l n GLU 25 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3h1l n GLN 26 N -1.23 0.62 -1.29 3.49 3.00 -0.98 -4.07 117.38 116.93 3h1l n GLN 26 Ca 0.04 0.21 -0.38 0.00 -0.01 0.00 0.00 57.00 56.86 3h1l n GLN 26 Cb 0.05 -1.79 0.04 0.00 0.00 0.00 0.00 30.24 28.54 3h1l n GLN 26 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3h1l n THR 27 N -2.88 1.08 -0.09 5.09 -1.04 0.69 -4.61 114.28 112.51 3h1l n THR 27 Ca -0.11 -0.47 -0.13 0.00 -2.04 0.00 0.00 64.05 61.29 3h1l n THR 27 Cb 0.86 -0.37 -0.09 0.00 -1.82 0.00 0.00 70.33 68.91 3h1l n THR 27 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3h1l h GLU 28 N -0.13 -0.43 -0.52 -2.82 4.57 -1.94 -1.35 114.58 111.97 3h1l h GLU 28 Ca -0.44 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 57.70 3h1l h GLU 28 Cb 1.40 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 30.06 3h1l h GLU 28 CO 0.42 -0.29 0.01 0.87 -1.18 0.00 0.00 179.01 178.84 3h1l h LYS 29 N -0.45 0.87 -0.45 1.92 1.57 -1.94 -2.46 116.57 115.64 3h1l h LYS 29 Ca 0.07 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3h1l h LYS 29 Cb 0.62 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3h1l h LYS 29 CO -0.54 0.86 0.20 0.00 -0.57 0.00 0.00 179.45 179.40 3h1l h VAL 31 N 0.58 1.18 0.00 0.00 2.07 -1.20 1.17 116.25 120.05 3h1l h VAL 31 Ca 0.15 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3h1l h VAL 31 Cb 0.15 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3h1l h VAL 31 CO -0.02 0.17 0.00 0.11 0.02 0.00 0.00 177.57 177.86 3h1l h LYS 32 N 0.11 0.00 0.03 1.57 1.79 -1.28 -0.48 116.57 118.31 3h1l h LYS 32 Ca 0.06 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.14 3h1l h LYS 32 Cb 0.22 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.81 3h1l h LYS 32 CO -0.00 0.00 -2.35 0.00 -1.08 0.00 0.00 179.45 176.02 3h1l n ALA 33 N -1.89 1.28 0.15 3.86 0.00 0.06 -3.61 120.51 120.35 3h1l n ALA 33 Ca 0.01 -0.97 0.06 0.00 0.00 0.00 0.00 53.44 52.54 3h1l n ALA 33 Cb 0.23 -0.24 0.52 0.00 0.00 0.00 0.00 19.45 19.96 3h1l n ALA 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3h1l h ARG 34 N -0.03 0.22 -0.12 0.00 9.65 0.16 -1.91 114.38 122.35 3h1l h ARG 34 Ca -0.54 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.27 3h1l h ARG 34 Cb 1.92 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 30.45 3h1l h ARG 34 CO -0.06 0.19 -0.12 1.49 2.80 0.00 0.00 179.97 184.26 3h1l h GLU 35 N 0.23 0.29 -0.83 0.20 4.81 -1.25 -2.37 114.58 115.66 3h1l h GLU 35 Ca 0.06 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3h1l h GLU 35 Cb 0.05 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 3h1l h GLU 35 CO -0.01 0.70 0.54 0.00 -0.73 0.00 0.00 179.01 179.52 3h1l h ARG 36 N -0.11 0.92 -0.03 1.92 3.08 -1.45 -2.54 114.38 116.18 3h1l h ARG 36 Ca 0.02 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3h1l h ARG 36 Cb 0.65 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 3h1l h ARG 36 CO 0.03 0.61 -0.02 1.25 -1.07 0.00 0.00 179.97 180.77 3h1l h LEU 37 N 0.95 0.06 -1.32 3.04 5.85 -1.35 -2.76 115.31 119.79 3h1l h LEU 37 Ca 0.35 -0.44 0.17 0.00 0.84 0.00 0.00 57.88 58.80 3h1l h LEU 37 Cb 0.16 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 3h1l h LEU 37 CO -0.12 0.49 0.59 -0.33 -0.34 0.00 0.00 178.44 178.73 3h1l h GLU 38 N -0.37 0.59 -0.01 1.25 4.39 -1.14 -1.15 114.58 118.13 3h1l h GLU 38 Ca 0.01 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 3h1l h GLU 38 Cb 0.47 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3h1l h GLU 38 CO 0.00 0.39 0.00 -0.07 -1.16 0.00 0.00 179.01 178.17 3h1l h LEU 39 N 0.60 0.01 0.60 1.33 3.38 -1.38 -2.51 115.31 117.35 3h1l h LEU 39 Ca 0.48 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3h1l h LEU 39 Cb 0.91 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3h1l h LEU 39 CO -0.23 0.28 -0.32 0.00 0.09 0.00 0.00 178.44 178.26 3h1l h ASP 41 N -0.85 0.01 -0.25 0.00 3.58 -1.29 0.13 116.42 117.74 3h1l h ASP 41 Ca -0.08 0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 3h1l h ASP 41 Cb 0.67 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 3h1l h ASP 41 CO 0.11 -0.19 0.16 0.00 -2.88 0.00 0.00 179.24 176.43 3h1l h ALA 42 N 1.82 0.32 -0.02 -0.78 0.00 -1.18 0.05 119.26 119.47 3h1l h ALA 42 Ca 0.59 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 55.25 3h1l h ALA 42 Cb 1.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3h1l h ALA 42 CO -0.69 -0.18 -0.88 0.07 0.00 0.00 0.00 179.25 177.58 3h1l h ARG 43 N 0.32 0.37 -0.31 0.00 0.11 -0.49 -1.97 114.38 112.42 3h1l h ARG 43 Ca 0.09 -0.38 -0.17 0.00 0.10 0.00 0.00 59.98 59.62 3h1l h ARG 43 Cb 0.01 0.10 -0.00 0.00 1.11 0.00 0.00 29.97 31.19 3h1l h ARG 43 CO -0.02 1.05 -0.46 0.28 0.10 0.00 0.00 179.97 180.92 3h1l h VAL 44 N 0.22 1.28 0.25 0.08 2.07 -0.97 0.59 116.25 119.78 3h1l h VAL 44 Ca -0.06 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 3h1l h VAL 44 Cb 1.50 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3h1l h VAL 44 CO 0.15 0.54 -0.12 0.28 0.02 0.00 0.00 177.57 178.44 3h1l h SER 45 N 0.65 -0.29 0.64 0.57 0.02 -1.00 -3.29 113.55 110.85 3h1l h SER 45 Ca 0.03 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3h1l h SER 45 Cb 1.07 0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.69 3h1l h SER 45 CO 0.11 -0.17 -0.31 0.77 -1.14 0.00 0.00 176.83 176.09 3h1l h SER 46 N -0.38 -0.72 -1.11 3.07 4.64 -1.37 -3.43 113.55 114.24 3h1l h SER 46 Ca -0.03 -0.01 -0.66 0.00 -0.47 0.00 0.00 61.79 60.62 3h1l h SER 46 Cb 0.29 0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 3h1l h SER 46 CO 0.06 -0.36 1.44 -1.14 -0.87 0.00 0.00 176.83 175.96 3h1l n ARG 47 N -5.37 1.08 -3.02 4.77 3.00 0.20 -4.92 116.66 112.40 3h1l n ARG 47 Ca -0.12 0.28 -0.40 0.00 -0.00 0.00 0.00 57.85 57.62 3h1l n ARG 47 Cb 0.36 -2.50 -0.05 0.00 0.00 0.00 0.00 32.46 30.27 3h1l n ARG 47 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3h1l s SER 48 N 7.58 7.10 -0.45 6.15 0.01 -1.26 -4.17 113.70 128.66 3h1l s SER 48 Ca 1.10 1.31 -0.02 0.00 1.31 0.00 0.00 55.95 59.65 3h1l s SER 48 Cb -0.82 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 62.94 3h1l s SER 48 CO 0.48 -0.05 0.40 1.57 0.41 0.00 0.00 173.24 176.04 3h1l n HIS 49 N 3.28 -1.14 -3.04 2.43 -0.00 -1.26 -5.08 115.22 110.42 3h1l n HIS 49 Ca -0.02 0.41 -0.01 0.00 -0.00 0.00 0.00 57.72 58.10 3h1l n HIS 49 Cb 0.51 -3.14 0.00 0.00 -0.00 0.00 0.00 29.99 27.36 3h1l n HIS 49 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 3h1l n THR 50 N -2.12 0.00 -1.21 3.57 5.66 -1.26 -5.08 114.28 113.84 3h1l n THR 50 Ca -0.03 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 3h1l n THR 50 Cb 0.54 -0.94 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 3h1l n THR 50 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 3h1l n GLU 51 N -1.03 0.00 -2.91 1.09 4.07 -1.26 -5.13 120.64 115.47 3h1l n GLU 51 Ca 0.01 -0.04 -0.19 0.00 -0.06 0.00 0.00 57.16 56.88 3h1l n GLU 51 Cb 0.03 -0.39 0.04 0.00 -0.06 0.00 0.00 31.44 31.06 3h1l n GLU 51 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3h1l s GLU 52 N 0.00 2.49 -0.12 5.31 2.12 -1.26 -5.13 118.70 122.11 3h1l s GLU 52 Ca 0.00 -1.28 -0.20 0.00 0.36 0.00 0.00 54.97 53.85 3h1l s GLU 52 Cb 0.00 -2.64 0.05 0.00 0.26 0.00 0.00 34.13 31.80 3h1l s GLU 52 CO 0.00 -0.65 0.50 -0.65 -0.54 0.00 0.00 175.26 173.92 3h1l s GLN 53 N -4.60 0.72 -0.40 4.30 -0.21 -1.26 -5.06 119.66 113.15 3h1l s GLN 53 Ca 0.59 0.40 0.01 0.00 0.02 0.00 0.00 55.36 56.38 3h1l s GLN 53 Cb -0.08 0.34 0.45 0.00 1.00 0.00 0.00 33.01 34.71 3h1l s GLN 53 CO 0.37 -0.15 1.81 0.00 -2.12 0.00 0.00 175.29 175.19 3h1l h THR 55 N 0.84 0.00 -0.89 0.00 2.02 -1.99 -1.70 112.91 111.19 3h1l h THR 55 Ca 0.47 -0.13 0.13 0.00 0.77 0.00 0.00 66.41 67.65 3h1l h THR 55 Cb 1.88 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 68.14 3h1l h THR 55 CO 0.96 0.00 -0.36 1.21 0.37 0.00 0.00 175.52 177.70 3h1l n GLU 56 N -4.43 -0.22 -0.19 6.66 2.13 -1.26 -0.11 120.64 123.22 3h1l n GLU 56 Ca -0.09 1.37 -0.08 0.00 0.66 0.00 0.00 57.16 59.02 3h1l n GLU 56 Cb 0.30 -2.04 0.02 0.00 0.27 0.00 0.00 31.44 29.99 3h1l n GLU 56 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3h1l h GLU 57 N 0.00 0.80 -0.60 5.31 3.07 -1.89 -1.70 114.58 119.57 3h1l h GLU 57 Ca 0.30 -0.15 0.07 0.00 -0.50 0.00 0.00 59.36 59.08 3h1l h GLU 57 Cb 0.52 -0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 28.24 3h1l h GLU 57 CO -0.88 0.71 0.28 1.25 -1.40 0.00 0.00 179.01 178.96 3h1l h LEU 58 N 0.72 0.35 0.07 1.33 5.85 0.47 -1.82 115.31 122.29 3h1l h LEU 58 Ca 0.18 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3h1l h LEU 58 Cb 0.21 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3h1l h LEU 58 CO -0.01 0.22 -0.04 -0.26 -0.34 0.00 0.00 178.44 178.02 3h1l h PHE 59 N 0.51 -0.09 -0.72 1.25 0.04 -0.60 -0.94 116.94 116.38 3h1l h PHE 59 Ca 0.28 -0.00 0.16 0.00 2.80 0.00 0.00 57.97 61.21 3h1l h PHE 59 Cb 0.27 0.03 -0.12 0.00 2.20 0.00 0.00 35.95 38.33 3h1l h PHE 59 CO -0.12 0.02 0.04 -0.44 -0.60 0.00 0.00 178.31 177.20 3h1l h ASP 60 N -0.18 -0.27 0.57 2.17 3.32 -0.82 0.90 116.42 122.11 3h1l h ASP 60 Ca -0.01 0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 3h1l h ASP 60 Cb 0.15 0.30 0.01 0.00 0.22 0.00 0.00 39.33 40.01 3h1l h ASP 60 CO 0.02 -0.14 -0.27 0.15 -1.72 0.00 0.00 179.24 177.27 3h1l h PHE 61 N 0.13 -0.71 -0.69 4.55 3.57 -1.07 -1.73 116.94 121.00 3h1l h PHE 61 Ca 0.39 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 62.03 3h1l h PHE 61 Cb 0.68 0.23 -0.11 0.00 2.79 0.00 0.00 35.95 39.55 3h1l h PHE 61 CO -0.38 -0.44 0.09 -0.07 -2.23 0.00 0.00 178.31 175.28 3h1l h LEU 62 N -0.78 -0.13 -0.31 0.59 3.38 -0.56 0.89 115.31 118.39 3h1l h LEU 62 Ca -0.08 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3h1l h LEU 62 Cb 0.58 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 3h1l h LEU 62 CO 0.13 -0.08 -0.08 -0.74 0.09 0.00 0.00 178.44 177.76 3h1l h HIS 63 N 0.19 -0.17 0.06 1.13 2.76 0.86 0.55 115.15 120.54 3h1l h HIS 63 Ca 0.38 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.57 3h1l h HIS 63 Cb 0.64 0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.72 3h1l h HIS 63 CO -0.32 -0.13 -0.03 0.00 -1.30 0.00 0.00 177.93 176.15 3h1l h ALA 64 N 1.30 -0.08 -0.29 5.26 0.00 -0.08 -1.12 119.26 124.25 3h1l h ALA 64 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h1l h ALA 64 Cb 0.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3h1l h ALA 64 CO -0.32 -0.38 0.00 -2.13 0.00 0.00 0.00 179.25 176.43 3h1l n ARG 65 N -4.97 0.00 -0.34 0.00 0.63 0.29 -2.17 116.66 110.10 3h1l n ARG 65 Ca -0.08 0.57 0.20 0.00 -0.92 0.00 0.00 57.85 57.62 3h1l n ARG 65 Cb 0.20 -1.45 0.44 0.00 0.45 0.00 0.00 32.46 32.09 3h1l n ARG 65 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3h1l h ASP 66 N 0.00 0.58 0.23 6.15 3.45 -0.01 0.67 116.42 127.49 3h1l h ASP 66 Ca 0.00 0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.58 3h1l h ASP 66 Cb 0.00 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.78 3h1l h ASP 66 CO 0.00 0.09 -0.22 -0.74 -1.57 0.00 0.00 179.24 176.80 3h1l h HIS 67 N 0.50 -0.58 -0.30 4.55 2.76 -1.09 -1.50 115.15 119.48 3h1l h HIS 67 Ca 0.63 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.87 3h1l h HIS 67 Cb 1.37 0.23 -0.06 0.00 1.55 0.00 0.00 27.41 30.49 3h1l h HIS 67 CO -0.00 -0.33 -0.11 0.00 -1.30 0.00 0.00 177.93 176.19 3h1l h VAL 69 N -0.05 0.52 -0.26 0.00 2.07 -0.71 -1.64 116.25 116.18 3h1l h VAL 69 Ca 0.15 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.67 3h1l h VAL 69 Cb 0.28 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3h1l h VAL 69 CO -0.34 0.02 0.18 0.00 0.02 0.00 0.00 177.57 177.46 3h1l h ALA 70 N 1.54 2.05 0.00 1.67 0.00 -0.84 -0.25 119.26 123.44 3h1l h ALA 70 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3h1l h ALA 70 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3h1l h ALA 70 CO -0.50 -0.10 0.00 0.45 0.00 0.00 0.00 179.25 179.10 3h1l h HIS 71 N 0.16 0.00 0.00 0.00 3.86 -1.23 -3.36 115.15 114.58 3h1l h HIS 71 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3h1l h HIS 71 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3h1l h HIS 71 CO -0.00 0.00 -0.12 0.36 0.86 0.00 0.00 177.93 179.03 3h1l n LYS 72 N -2.83 4.32 -0.36 2.45 2.85 -0.96 -4.88 118.16 118.75 3h1l n LYS 72 Ca -0.01 0.00 0.28 0.00 -1.05 0.00 0.00 58.31 57.52 3h1l n LYS 72 Cb 0.15 -0.56 0.54 0.00 -0.65 0.00 0.00 35.03 34.51 3h1l n LYS 72 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3h1l h LEU 73 N 0.00 0.42 -0.85 -5.58 5.85 -1.20 0.17 115.31 114.11 3h1l h LEU 73 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3h1l h LEU 73 Cb 0.02 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3h1l h LEU 73 CO 0.00 -0.09 0.00 -0.26 -0.34 0.00 0.00 178.44 177.75 3h1l h PHE 74 N 0.27 0.00 -0.26 1.25 0.04 -1.84 -3.07 116.94 113.33 3h1l h PHE 74 Ca 0.73 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 61.35 3h1l h PHE 74 Cb 1.90 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.05 3h1l h PHE 74 CO -0.01 0.00 -0.42 -0.91 -0.60 0.00 0.00 178.31 176.37 3h1l h ASN 75 N 0.00 0.69 0.83 2.17 2.35 -1.01 -3.08 115.58 117.53 3h1l h ASN 75 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 3h1l h ASN 75 Cb 0.58 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3h1l h ASN 75 CO 0.00 1.02 -0.28 0.29 -1.65 0.00 0.00 177.43 176.82 3h1l n LYS 76 N -4.02 0.06 -2.55 0.81 5.02 -1.17 -4.89 118.16 111.42 3h1l n LYS 76 Ca -0.02 0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 56.06 3h1l n LYS 76 Cb 0.54 -1.55 0.04 0.00 -0.02 0.00 0.00 35.03 34.03 3h1l n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1l s LEU 77 N -3.30 3.26 0.00 -0.35 1.43 -1.17 -4.99 118.68 113.55 3h1l s LEU 77 Ca 0.12 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 3h1l s LEU 77 Cb 0.17 -3.21 0.03 0.00 0.03 0.00 0.00 46.19 43.21 3h1l s LEU 77 CO 0.63 -1.10 0.62 1.17 0.23 0.00 0.00 176.35 177.89