#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8y n THR 5 N 0.00 -1.92 -1.97 1.55 -2.24 -1.26 -4.89 114.28 103.56 3h8y n THR 5 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 3h8y n THR 5 Cb 0.00 -2.75 0.12 0.00 -2.10 0.00 0.00 70.33 65.60 3h8y n THR 5 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3h8y s GLY 6 N -3.27 1.68 0.00 3.38 0.00 -1.25 -4.87 107.32 102.99 3h8y s GLY 6 Ca 0.66 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 44.46 3h8y s GLY 6 CO 0.82 -0.34 0.63 0.29 0.00 0.00 0.00 173.10 174.50 3h8y n ILE 7 N -3.42 0.39 -0.46 0.90 -5.35 0.66 -3.83 119.36 108.25 3h8y n ILE 7 Ca 0.11 -0.47 -0.28 0.00 -0.27 0.00 0.00 62.75 61.84 3h8y n ILE 7 Cb 0.60 0.94 0.27 0.00 -1.74 0.00 0.00 39.64 39.70 3h8y n ILE 7 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h8y n ALA 8 N -0.19 -3.24 -3.58 -1.28 0.00 0.11 -4.56 120.51 107.76 3h8y n ALA 8 Ca 0.00 -1.28 -0.21 0.00 0.00 0.00 0.00 53.44 51.95 3h8y n ALA 8 Cb 0.29 -1.95 -0.16 0.00 0.00 0.00 0.00 19.45 17.63 3h8y n ALA 8 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3h8y s LEU 9 N -7.10 1.41 -0.10 0.00 2.96 -0.57 -3.68 118.68 111.60 3h8y s LEU 9 Ca 0.68 -0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.39 3h8y s LEU 9 Cb -0.25 -0.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 3h8y s LEU 9 CO 0.66 -0.03 0.02 -0.83 -1.32 0.00 0.00 176.35 174.84 3h8y s GLY 10 N 0.87 1.87 -0.06 7.98 0.00 -0.19 -1.97 107.32 115.82 3h8y s GLY 10 Ca -0.12 -0.79 -0.03 0.00 0.00 0.00 0.00 44.72 43.79 3h8y s GLY 10 CO 0.01 -0.45 0.13 1.06 0.00 0.00 0.00 173.10 173.84 3h8y s MET 11 N -0.68 0.08 -0.05 2.90 -1.94 -0.39 -1.86 119.30 117.37 3h8y s MET 11 Ca 0.11 0.32 0.03 0.00 -1.71 0.00 0.00 55.69 54.43 3h8y s MET 11 Cb -0.12 -0.15 0.01 0.00 2.01 0.00 0.00 34.83 36.58 3h8y s MET 11 CO 0.02 -0.14 -0.11 0.42 -0.01 0.00 0.00 175.02 175.20 3h8y s ILE 12 N 1.00 1.00 -0.06 2.53 1.01 -1.01 -1.15 121.20 124.52 3h8y s ILE 12 Ca -0.08 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.17 3h8y s ILE 12 Cb -0.10 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 3h8y s ILE 12 CO -0.05 0.32 -0.15 -0.70 0.00 0.00 0.00 174.94 174.36 3h8y s GLU 13 N 0.44 2.63 0.35 2.79 2.12 -0.91 -1.86 118.70 124.26 3h8y s GLU 13 Ca -0.09 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 54.56 3h8y s GLU 13 Cb -0.13 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 3h8y s GLU 13 CO 0.02 0.54 0.13 0.95 -0.54 0.00 0.00 175.26 176.36 3h8y s THR 14 N -0.53 0.59 -0.39 -1.70 -4.23 0.51 0.13 115.64 110.03 3h8y s THR 14 Ca 0.07 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.62 3h8y s THR 14 Cb -0.12 -2.50 0.11 0.00 1.34 0.00 0.00 72.50 71.33 3h8y s THR 14 CO 0.01 0.00 0.11 -0.13 -0.54 0.00 0.00 174.62 174.08 3h8y s ARG 15 N -3.79 1.59 0.00 3.99 0.52 -0.76 -2.20 118.95 118.30 3h8y s ARG 15 Ca 0.31 -2.06 0.00 0.00 -0.52 0.00 0.00 55.73 53.46 3h8y s ARG 15 Cb 0.05 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.33 3h8y s ARG 15 CO 0.16 -0.99 0.00 0.41 0.02 0.00 0.00 175.30 174.90 3h8y n GLY 16 N 3.94 3.41 0.10 -3.53 0.00 -1.05 -3.49 105.19 104.58 3h8y n GLY 16 Ca 0.04 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 3h8y n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3h8y h LEU 17 N 0.00 0.28 -0.44 0.99 5.85 -1.94 -3.28 115.31 116.76 3h8y h LEU 17 Ca 0.00 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 3h8y h LEU 17 Cb 0.00 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3h8y h LEU 17 CO 0.00 1.16 0.26 0.58 -0.34 0.00 0.00 178.44 180.09 3h8y h VAL 18 N 0.08 1.15 -0.44 1.05 2.07 -1.98 0.38 116.25 118.55 3h8y h VAL 18 Ca -0.07 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 3h8y h VAL 18 Cb 1.75 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3h8y h VAL 18 CO 0.16 0.15 0.13 -0.65 0.02 0.00 0.00 177.57 177.39 3h8y h PRO 19 N 0.58 0.64 -0.27 1.57 0.11 -1.82 -2.77 132.00 130.05 3h8y h PRO 19 Ca 0.16 -0.10 0.01 0.00 0.11 0.00 0.00 66.00 66.18 3h8y h PRO 19 Cb 0.02 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 3h8y h PRO 19 CO -0.03 0.57 0.15 0.00 -0.21 0.00 0.00 178.00 178.48 3h8y h ALA 20 N 1.52 0.33 0.00 -0.75 0.00 -1.19 -1.76 119.26 117.41 3h8y h ALA 20 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3h8y h ALA 20 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3h8y h ALA 20 CO -0.01 -0.24 -0.35 0.82 0.00 0.00 0.00 179.25 179.47 3h8y h ILE 21 N 0.30 1.17 -0.01 0.00 2.04 -0.06 0.36 117.51 121.32 3h8y h ILE 21 Ca 0.11 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.73 3h8y h ILE 21 Cb 0.01 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3h8y h ILE 21 CO -0.06 0.34 -0.01 -0.08 0.00 0.00 0.00 178.15 178.34 3h8y h GLU 22 N 0.00 0.02 0.00 2.37 4.57 -1.31 -1.70 114.58 118.52 3h8y h GLU 22 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3h8y h GLU 22 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3h8y h GLU 22 CO 0.05 0.58 0.00 0.00 -1.18 0.00 0.00 179.01 178.45 3h8y n ALA 23 N -2.39 -0.07 -0.19 2.92 0.00 -0.68 0.31 120.51 120.41 3h8y n ALA 23 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.42 3h8y n ALA 23 Cb 0.29 0.27 0.13 0.00 0.00 0.00 0.00 19.45 20.14 3h8y n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h8y n ALA 24 N -1.82 0.22 0.10 0.00 0.00 0.13 -0.39 120.51 118.74 3h8y n ALA 24 Ca 0.00 0.59 -0.20 0.00 0.00 0.00 0.00 53.44 53.83 3h8y n ALA 24 Cb 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 19.45 18.93 3h8y n ALA 24 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3h8y h ASP 25 N 0.00 0.76 -0.40 0.00 3.58 -0.83 -3.03 116.42 116.50 3h8y h ASP 25 Ca 0.30 -0.72 -0.11 0.00 0.42 0.00 0.00 57.03 56.93 3h8y h ASP 25 Cb 0.57 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 3h8y h ASP 25 CO -0.53 1.53 -0.17 0.00 -2.88 0.00 0.00 179.24 177.19 3h8y h ALA 26 N 0.38 0.56 -0.45 -0.78 0.00 0.28 -1.38 119.26 117.87 3h8y h ALA 26 Ca -0.17 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.46 3h8y h ALA 26 Cb 1.91 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 19.46 3h8y h ALA 26 CO 0.23 0.49 -0.35 0.52 0.00 0.00 0.00 179.25 180.14 3h8y h MET 27 N 0.63 -0.23 0.00 0.00 2.86 -1.32 -0.27 114.93 116.59 3h8y h MET 27 Ca 0.09 0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 3h8y h MET 27 Cb 0.72 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 3h8y h MET 27 CO 0.05 -0.16 -0.35 1.79 1.06 0.00 0.00 176.91 179.31 3h8y h THR 28 N -0.24 0.79 0.00 2.22 1.35 -1.41 -1.35 112.91 114.27 3h8y h THR 28 Ca 0.18 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 3h8y h THR 28 Cb 0.55 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 3h8y h THR 28 CO -0.58 0.34 0.00 0.11 -0.25 0.00 0.00 175.52 175.14 3h8y h LYS 29 N 0.00 0.00 0.01 4.72 1.57 -0.65 -3.37 116.57 118.86 3h8y h LYS 29 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h8y h LYS 29 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3h8y h LYS 29 CO 0.04 0.00 -0.01 0.00 -0.57 0.00 0.00 179.45 178.92 3h8y h ALA 30 N 2.09 -0.07 -4.21 3.86 0.00 0.12 -3.48 119.26 117.56 3h8y h ALA 30 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3h8y h ALA 30 Cb 0.70 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3h8y h ALA 30 CO 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 179.25 179.03 3h8y n ALA 31 N -2.13 0.16 -2.84 0.00 0.00 -1.16 -4.93 120.51 109.60 3h8y n ALA 31 Ca -0.00 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.29 3h8y n ALA 31 Cb 0.01 0.42 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 3h8y n ALA 31 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3h8y s GLU 32 N -2.57 3.64 0.30 0.00 2.12 -1.26 -4.66 118.70 116.26 3h8y s GLU 32 Ca 0.02 -1.67 0.10 0.00 0.36 0.00 0.00 54.97 53.78 3h8y s GLU 32 Cb 0.00 -5.04 -0.05 0.00 0.26 0.00 0.00 34.13 29.30 3h8y s GLU 32 CO 0.02 -1.88 -0.06 0.14 -0.54 0.00 0.00 175.26 172.93 3h8y s VAL 33 N 3.17 2.85 -0.24 3.70 -7.23 -1.26 -4.56 120.40 116.83 3h8y s VAL 33 Ca 0.37 -2.09 -0.06 0.00 -1.81 0.00 0.00 61.98 58.39 3h8y s VAL 33 Cb -0.03 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 3h8y s VAL 33 CO -0.09 -0.32 0.04 -0.60 -0.31 0.00 0.00 175.10 173.83 3h8y s ARG 34 N -3.64 3.59 -0.46 4.82 3.52 0.20 -4.88 118.95 122.10 3h8y s ARG 34 Ca 0.32 -0.51 -0.27 0.00 -0.13 0.00 0.00 55.73 55.13 3h8y s ARG 34 Cb -0.04 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 30.09 3h8y s ARG 34 CO 0.18 -0.18 1.87 -1.17 -0.81 0.00 0.00 175.30 175.19 3h8y s LEU 35 N 1.54 3.41 -0.00 -0.88 2.96 -1.26 -0.86 118.68 123.58 3h8y s LEU 35 Ca 0.06 0.87 0.21 0.00 -0.22 0.00 0.00 54.13 55.06 3h8y s LEU 35 Cb -0.15 -3.02 -0.22 0.00 0.50 0.00 0.00 46.19 43.30 3h8y s LEU 35 CO 0.02 -2.08 0.83 1.33 -1.32 0.00 0.00 176.35 175.13 3h8y n VAL 36 N 7.37 0.01 -3.60 1.68 0.24 0.27 -4.46 118.33 119.83 3h8y n VAL 36 Ca 0.23 -0.11 -0.09 0.00 -2.04 0.00 0.00 64.34 62.33 3h8y n VAL 36 Cb 0.50 0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 33.56 3h8y n VAL 36 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3h8y s GLY 37 N -3.33 -0.18 -0.18 7.63 0.00 -0.83 -1.82 107.32 108.61 3h8y s GLY 37 Ca 0.05 2.34 -0.03 0.00 0.00 0.00 0.00 44.72 47.08 3h8y s GLY 37 CO 0.87 1.32 0.03 -1.60 0.00 0.00 0.00 173.10 173.72 3h8y s ARG 38 N -0.65 0.69 0.17 2.90 3.00 -1.26 -0.72 118.95 123.08 3h8y s ARG 38 Ca 0.01 -0.38 0.10 0.00 -1.00 0.00 0.00 55.73 54.46 3h8y s ARG 38 Cb -0.02 -2.00 -0.04 0.00 0.00 0.00 0.00 34.95 32.89 3h8y s ARG 38 CO -0.02 -0.60 -0.18 -1.14 0.00 0.00 0.00 175.30 173.36 3h8y s GLN 39 N 1.86 1.74 -0.30 5.12 0.74 -0.11 -4.82 119.66 123.88 3h8y s GLN 39 Ca -0.00 -1.36 -0.09 0.00 0.05 0.00 0.00 55.36 53.96 3h8y s GLN 39 Cb -0.17 -2.01 -0.00 0.00 1.10 0.00 0.00 33.01 31.94 3h8y s GLN 39 CO -0.08 0.43 0.13 -0.06 -0.55 0.00 0.00 175.29 175.16 3h8y s PHE 40 N -1.53 3.17 -2.49 1.67 0.40 -1.26 -1.55 117.98 116.38 3h8y s PHE 40 Ca 0.21 -0.69 0.25 0.00 -0.60 0.00 0.00 56.93 56.09 3h8y s PHE 40 Cb -0.09 -2.32 0.77 0.00 0.51 0.00 0.00 43.02 41.89 3h8y s PHE 40 CO 0.11 -0.49 1.58 0.28 0.70 0.00 0.00 175.22 177.40 3h8y n VAL 41 N 4.95 0.12 -0.51 -0.44 0.31 -0.88 -5.04 118.33 116.83 3h8y n VAL 41 Ca -0.14 -0.37 0.01 0.00 -0.01 0.00 0.00 64.34 63.84 3h8y n VAL 41 Cb 0.49 0.64 -0.01 0.00 -0.91 0.00 0.00 33.84 34.05 3h8y n VAL 41 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h8y n GLY 42 N 1.22 -3.13 2.85 2.92 0.00 -1.26 -4.90 105.19 102.89 3h8y n GLY 42 Ca 0.17 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3h8y n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8y n GLY 43 N -2.10 2.48 0.00 -0.02 0.00 -1.26 -3.78 105.19 100.51 3h8y n GLY 43 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3h8y n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8y n GLY 44 N -2.00 1.28 3.76 -0.02 0.00 -1.26 -5.08 105.19 101.87 3h8y n GLY 44 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3h8y n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h8y s TYR 45 N -1.48 2.49 -0.00 1.61 1.51 -1.25 -2.52 117.35 117.70 3h8y s TYR 45 Ca 0.00 1.34 0.03 0.00 -1.01 0.00 0.00 57.07 57.42 3h8y s TYR 45 Cb 0.00 -3.81 -0.01 0.00 -0.11 0.00 0.00 41.96 38.03 3h8y s TYR 45 CO 0.00 -2.70 -0.09 0.08 -1.11 0.00 0.00 175.55 171.73 3h8y s VAL 46 N -1.26 0.70 0.14 0.71 1.01 -0.93 -2.08 120.40 118.69 3h8y s VAL 46 Ca 0.64 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 62.29 3h8y s VAL 46 Cb -0.41 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3h8y s VAL 46 CO 0.51 0.18 -0.13 -0.89 0.00 0.00 0.00 175.10 174.77 3h8y s THR 47 N -0.25 3.08 0.02 3.92 2.01 -0.59 -0.36 115.64 123.47 3h8y s THR 47 Ca 0.03 -1.54 0.05 0.00 0.31 0.00 0.00 61.69 60.54 3h8y s THR 47 Cb -0.04 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 3h8y s THR 47 CO -0.00 0.01 -0.15 0.54 -0.69 0.00 0.00 174.62 174.33 3h8y s VAL 48 N -1.41 1.16 -0.03 3.82 0.11 -0.78 -0.93 120.40 122.35 3h8y s VAL 48 Ca 0.22 -0.88 -0.00 0.00 -2.93 0.00 0.00 61.98 58.38 3h8y s VAL 48 Cb -0.10 -1.02 0.03 0.00 -1.53 0.00 0.00 36.38 33.76 3h8y s VAL 48 CO 0.13 0.13 0.04 -0.76 -3.33 0.00 0.00 175.10 171.31 3h8y s LEU 49 N -0.86 0.96 0.02 2.54 1.02 0.10 -2.41 118.68 120.05 3h8y s LEU 49 Ca 0.03 0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.26 3h8y s LEU 49 Cb -0.07 -0.04 -0.01 0.00 0.02 0.00 0.00 46.19 46.08 3h8y s LEU 49 CO 0.01 -0.14 -0.05 0.68 0.02 0.00 0.00 176.35 176.87 3h8y s VAL 50 N 1.18 0.33 0.17 -1.59 -7.23 -0.77 -0.57 120.40 111.92 3h8y s VAL 50 Ca -0.08 -0.66 0.11 0.00 -1.81 0.00 0.00 61.98 59.55 3h8y s VAL 50 Cb -0.13 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 3h8y s VAL 50 CO -0.03 -0.22 -0.24 -0.13 -0.31 0.00 0.00 175.10 174.16 3h8y s ARG 51 N -0.94 1.46 -0.02 4.82 1.81 -0.04 -1.02 118.95 125.02 3h8y s ARG 51 Ca -0.07 -1.47 -0.15 0.00 -1.72 0.00 0.00 55.73 52.32 3h8y s ARG 51 Cb -0.06 -1.81 0.05 0.00 -0.45 0.00 0.00 34.95 32.68 3h8y s ARG 51 CO -0.00 0.40 0.68 0.41 -0.68 0.00 0.00 175.30 176.11 3h8y n GLY 52 N 0.44 0.36 3.63 -3.53 0.00 -1.24 0.60 105.19 105.44 3h8y n GLY 52 Ca -0.14 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 3h8y n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h8y s GLU 53 N -2.01 -0.30 -0.07 1.61 0.41 -1.26 -0.24 118.70 116.85 3h8y s GLU 53 Ca 0.16 0.34 -0.25 0.00 -0.41 0.00 0.00 54.97 54.80 3h8y s GLU 53 Cb -0.00 -1.67 -0.24 0.00 -1.78 0.00 0.00 34.13 30.44 3h8y s GLU 53 CO -0.01 -3.18 0.98 1.15 -0.49 0.00 0.00 175.26 173.71 3h8y h THR 54 N -2.21 1.59 -0.25 3.63 2.02 -1.97 -0.66 112.91 115.06 3h8y h THR 54 Ca -0.52 -2.02 0.05 0.00 0.77 0.00 0.00 66.41 64.68 3h8y h THR 54 Cb 1.32 2.90 -0.05 0.00 -1.74 0.00 0.00 68.15 70.59 3h8y h THR 54 CO 0.50 0.55 -0.05 1.23 0.37 0.00 0.00 175.52 178.12 3h8y h GLY 55 N -0.61 0.19 1.05 2.16 0.00 -1.99 0.48 103.07 104.35 3h8y h GLY 55 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3h8y h GLY 55 CO 0.04 -0.09 0.60 0.00 0.00 0.00 0.00 176.54 177.10 3h8y h ALA 56 N 1.24 1.28 0.00 3.60 0.00 -1.86 -2.04 119.26 121.48 3h8y h ALA 56 Ca 0.12 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3h8y h ALA 56 Cb 0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3h8y h ALA 56 CO -0.24 0.64 -0.67 0.28 0.00 0.00 0.00 179.25 179.26 3h8y h VAL 57 N 1.29 0.43 -0.37 0.00 2.07 -0.80 -2.28 116.25 116.59 3h8y h VAL 57 Ca 0.34 -1.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.12 3h8y h VAL 57 Cb -0.11 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3h8y h VAL 57 CO -0.07 0.25 -0.05 0.78 0.02 0.00 0.00 177.57 178.50 3h8y h ASN 58 N 0.00 0.68 0.11 0.57 2.35 -0.42 -3.17 115.58 115.69 3h8y h ASN 58 Ca -0.04 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.37 3h8y h ASN 58 Cb 1.27 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.46 3h8y h ASN 58 CO 0.03 0.86 -0.05 0.00 -1.65 0.00 0.00 177.43 176.62 3h8y h ALA 59 N 0.85 -0.15 -0.88 -0.83 0.00 -1.35 -3.15 119.26 113.75 3h8y h ALA 59 Ca 0.10 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.92 3h8y h ALA 59 Cb 0.54 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.25 3h8y h ALA 59 CO 0.03 -0.34 -0.35 0.00 0.00 0.00 0.00 179.25 178.58 3h8y n ALA 60 N -2.42 -0.14 -0.10 0.00 0.00 -0.86 -1.78 120.51 115.22 3h8y n ALA 60 Ca -0.09 0.86 -0.13 0.00 0.00 0.00 0.00 53.44 54.09 3h8y n ALA 60 Cb 0.25 -0.37 -0.04 0.00 0.00 0.00 0.00 19.45 19.29 3h8y n ALA 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3h8y h VAL 61 N 0.00 1.30 -0.34 0.00 2.07 -1.57 0.25 116.25 117.95 3h8y h VAL 61 Ca 0.29 -1.40 0.07 0.00 0.82 0.00 0.00 66.70 66.48 3h8y h VAL 61 Cb 0.51 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 3h8y h VAL 61 CO -0.87 0.45 -0.14 0.03 0.02 0.00 0.00 177.57 177.06 3h8y h ARG 62 N 0.42 -0.07 -0.42 1.57 3.08 -1.35 0.84 114.38 118.45 3h8y h ARG 62 Ca 0.05 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 3h8y h ARG 62 Cb 0.81 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 3h8y h ARG 62 CO 0.06 -0.05 -0.02 0.00 -1.07 0.00 0.00 179.97 178.90 3h8y h ALA 63 N 1.21 0.57 -0.62 0.04 0.00 -0.99 -2.43 119.26 117.04 3h8y h ALA 63 Ca 0.17 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3h8y h ALA 63 Cb 0.33 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3h8y h ALA 63 CO -0.39 0.37 0.22 0.78 0.00 0.00 0.00 179.25 180.23 3h8y h GLY 64 N 0.59 1.02 0.00 0.00 0.00 -0.08 -2.95 103.07 101.65 3h8y h GLY 64 Ca 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3h8y h GLY 64 CO 0.03 0.54 -0.00 0.00 0.00 0.00 0.00 176.54 177.10 3h8y h ALA 65 N 1.08 -0.61 0.00 3.60 0.00 0.10 -2.94 119.26 120.49 3h8y h ALA 65 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3h8y h ALA 65 Cb 0.25 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3h8y h ALA 65 CO -0.01 -0.61 0.00 -3.47 0.00 0.00 0.00 179.25 175.16 3h8y n ASP 66 N -2.42 0.00 -0.05 0.00 2.03 -0.95 -2.28 116.55 112.88 3h8y n ASP 66 Ca -0.00 -1.17 -0.12 0.00 0.52 0.00 0.00 54.79 54.02 3h8y n ASP 66 Cb 0.00 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 3h8y n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h8y n ALA 67 N -0.55 1.40 0.40 -1.67 0.00 -1.11 -4.48 120.51 114.49 3h8y n ALA 67 Ca 0.02 -0.92 0.06 0.00 0.00 0.00 0.00 53.44 52.60 3h8y n ALA 67 Cb 0.01 -0.59 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 3h8y n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h8y h GLU 69 N 0.00 0.00 0.00 0.00 4.81 -1.73 0.62 114.58 118.28 3h8y h GLU 69 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3h8y h GLU 69 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3h8y h GLU 69 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.82 3h8y n ARG 70 N -2.43 1.01 -2.83 1.92 1.74 -1.26 -4.49 116.66 110.33 3h8y n ARG 70 Ca -0.01 -0.85 -0.41 0.00 -0.77 0.00 0.00 57.85 55.82 3h8y n ARG 70 Cb 0.69 -0.82 -0.04 0.00 -1.02 0.00 0.00 32.46 31.28 3h8y n ARG 70 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3h8y s VAL 71 N -0.41 4.85 0.00 1.55 1.01 0.22 -4.93 120.40 122.69 3h8y s VAL 71 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.84 3h8y s VAL 71 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.15 3h8y s VAL 71 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.94 3h8y n GLY 72 N 2.81 2.90 0.35 4.51 0.00 -1.26 -1.42 105.19 113.07 3h8y n GLY 72 Ca 0.03 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.13 3h8y n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h8y n ASP 73 N 2.34 1.13 0.00 1.61 8.00 -1.23 -5.03 116.55 123.37 3h8y n ASP 73 Ca 0.00 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.24 3h8y n ASP 73 Cb 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3h8y n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h8y n GLY 74 N 1.18 -1.78 3.87 0.44 0.00 -0.51 -4.69 105.19 103.70 3h8y n GLY 74 Ca 0.18 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 3h8y n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h8y s LEU 75 N 0.00 4.38 -0.08 0.99 2.96 -1.26 -1.83 118.68 123.83 3h8y s LEU 75 Ca 0.00 0.68 -0.11 0.00 -0.22 0.00 0.00 54.13 54.48 3h8y s LEU 75 Cb 0.00 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 3h8y s LEU 75 CO 0.00 0.25 -0.22 0.52 -1.32 0.00 0.00 176.35 175.57 3h8y n VAL 76 N 1.20 1.34 -4.27 1.68 0.31 0.36 -4.86 118.33 114.08 3h8y n VAL 76 Ca -0.11 0.23 -0.18 0.00 -0.01 0.00 0.00 64.34 64.27 3h8y n VAL 76 Cb 0.53 -2.06 -0.07 0.00 -0.91 0.00 0.00 33.84 31.33 3h8y n VAL 76 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h8y n ALA 77 N -4.05 0.64 -3.50 3.52 0.00 -1.05 -4.95 120.51 111.11 3h8y n ALA 77 Ca -0.09 -1.76 -0.00 0.00 0.00 0.00 0.00 53.44 51.59 3h8y n ALA 77 Cb 0.33 1.41 -0.05 0.00 0.00 0.00 0.00 19.45 21.14 3h8y n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h8y s ALA 78 N -3.20 -2.51 -0.17 0.00 0.00 -1.26 -2.15 121.76 112.48 3h8y s ALA 78 Ca 0.34 2.13 -0.29 0.00 0.00 0.00 0.00 51.96 54.15 3h8y s ALA 78 Cb 0.02 -1.92 0.10 0.00 0.00 0.00 0.00 23.12 21.32 3h8y s ALA 78 CO 0.24 -0.76 0.88 -1.58 0.00 0.00 0.00 175.76 174.54 3h8y s HIS 79 N 2.15 -0.53 -0.09 0.00 5.04 -0.30 -5.02 115.29 116.53 3h8y s HIS 79 Ca -0.05 1.07 0.01 0.00 -1.54 0.00 0.00 55.06 54.55 3h8y s HIS 79 Cb -0.06 0.39 0.02 0.00 0.04 0.00 0.00 32.58 32.98 3h8y s HIS 79 CO -0.17 -0.40 -0.10 0.42 -2.34 0.00 0.00 174.74 172.15 3h8y s ILE 80 N -0.63 1.13 -0.46 0.89 1.01 -1.26 -1.27 121.20 120.61 3h8y s ILE 80 Ca -0.03 -0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 3h8y s ILE 80 Cb -0.02 -1.08 0.12 0.00 0.01 0.00 0.00 42.46 41.48 3h8y s ILE 80 CO 0.02 0.37 0.32 -0.63 0.00 0.00 0.00 174.94 175.03 3h8y s ILE 81 N 1.21 4.05 0.62 2.92 1.01 -0.83 -4.97 121.20 125.19 3h8y s ILE 81 Ca -0.04 -1.85 0.32 0.00 0.00 0.00 0.00 60.65 59.08 3h8y s ILE 81 Cb -0.14 -3.68 0.37 0.00 0.01 0.00 0.00 42.46 39.01 3h8y s ILE 81 CO -0.03 -0.77 2.11 0.00 0.00 0.00 0.00 174.94 176.26 3h8y h ALA 82 N 8.36 1.57 -0.98 9.38 0.00 -1.93 -1.51 119.26 134.14 3h8y h ALA 82 Ca -0.19 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3h8y h ALA 82 Cb 1.07 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.66 3h8y h ALA 82 CO 0.83 -0.26 -0.33 0.50 0.00 0.00 0.00 179.25 180.00 3h8y s ARG 83 N -4.44 0.55 1.00 0.00 3.52 -1.26 -3.91 118.95 114.42 3h8y s ARG 83 Ca -0.04 0.71 -0.15 0.00 -0.13 0.00 0.00 55.73 56.11 3h8y s ARG 83 Cb 0.14 0.36 0.20 0.00 -1.56 0.00 0.00 34.95 34.08 3h8y s ARG 83 CO 0.47 -0.87 1.19 0.14 -0.81 0.00 0.00 175.30 175.41 3h8y s VAL 84 N 2.84 1.89 0.07 7.11 -7.23 -1.26 -5.05 120.40 118.78 3h8y s VAL 84 Ca 0.14 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.33 3h8y s VAL 84 Cb -0.12 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 3h8y s VAL 84 CO -0.24 0.00 0.13 -2.28 -0.31 0.00 0.00 175.10 172.40 3h8y s HIS 85 N -3.41 3.32 0.51 2.82 2.46 -1.26 -4.99 115.29 114.74 3h8y s HIS 85 Ca 0.69 0.15 0.15 0.00 0.47 0.00 0.00 55.06 56.52 3h8y s HIS 85 Cb -0.10 -1.68 1.24 0.00 -0.13 0.00 0.00 32.58 31.91 3h8y s HIS 85 CO 0.54 0.55 2.14 0.66 -2.47 0.00 0.00 174.74 176.16 3h8y h SER 86 N 3.21 0.02 -0.85 9.88 4.64 -2.01 0.25 113.55 128.70 3h8y h SER 86 Ca -0.46 -0.00 0.13 0.00 -0.47 0.00 0.00 61.79 60.99 3h8y h SER 86 Cb 1.16 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 63.16 3h8y h SER 86 CO 0.70 0.03 0.46 -0.08 -0.87 0.00 0.00 176.83 177.06 3h8y h GLU 87 N 0.03 0.67 0.00 4.77 4.57 -2.04 -1.43 114.58 121.16 3h8y h GLU 87 Ca 0.01 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3h8y h GLU 87 Cb 0.01 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 3h8y h GLU 87 CO -0.00 0.44 0.00 0.28 -1.18 0.00 0.00 179.01 178.55 3h8y h VAL 88 N 0.69 0.00 0.00 0.32 2.07 -0.89 -3.10 116.25 115.35 3h8y h VAL 88 Ca 0.45 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3h8y h VAL 88 Cb 0.56 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3h8y h VAL 88 CO -0.32 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.65 3h8y n GLU 89 N -2.58 0.19 0.00 1.57 1.02 -0.54 -2.28 120.64 118.02 3h8y n GLU 89 Ca 0.03 0.10 0.12 0.00 -0.02 0.00 0.00 57.16 57.40 3h8y n GLU 89 Cb 0.37 -1.50 0.63 0.00 -0.02 0.00 0.00 31.44 30.92 3h8y n GLU 89 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h8y n ASN 90 N -1.36 0.00 -0.07 1.62 3.02 -1.17 -2.56 115.26 114.73 3h8y n ASN 90 Ca 0.08 -0.09 0.02 0.00 -0.03 0.00 0.00 54.58 54.56 3h8y n ASN 90 Cb 0.20 -0.28 -0.00 0.00 -0.61 0.00 0.00 39.78 39.09 3h8y n ASN 90 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3h8y n ILE 91 N -1.28 0.00 -3.05 2.41 -5.35 -0.97 -5.00 119.36 106.13 3h8y n ILE 91 Ca 0.12 -0.46 -0.40 0.00 -0.27 0.00 0.00 62.75 61.74 3h8y n ILE 91 Cb 0.19 1.04 -0.05 0.00 -1.74 0.00 0.00 39.64 39.08 3h8y n ILE 91 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3h8y s LEU 92 N -1.22 4.31 0.81 7.28 1.43 -1.06 -5.06 118.68 125.17 3h8y s LEU 92 Ca 0.03 1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 54.19 3h8y s LEU 92 Cb 0.03 -3.07 0.08 0.00 0.03 0.00 0.00 46.19 43.26 3h8y s LEU 92 CO 0.09 -0.12 1.09 -2.16 0.23 0.00 0.00 176.35 175.48 3h8y s PRO 93 N 0.83 1.93 -0.22 1.29 0.04 -1.26 -4.95 135.00 132.66 3h8y s PRO 93 Ca 0.37 0.96 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 3h8y s PRO 93 Cb -0.18 -1.88 -0.18 0.00 0.04 0.00 0.00 34.50 32.31 3h8y s PRO 93 CO 0.18 -1.81 0.05 1.63 0.04 0.00 0.00 177.00 177.09 3h8y n LYS 94 N -3.61 0.61 -3.82 4.56 4.76 -1.26 -4.84 118.16 114.55 3h8y n LYS 94 Ca 0.08 0.41 -0.12 0.00 -2.87 0.00 0.00 58.31 55.81 3h8y n LYS 94 Cb 0.54 -1.66 -0.10 0.00 -1.84 0.00 0.00 35.03 31.98 3h8y n LYS 94 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h8y s ALA 95 N -2.44 -0.51 0.99 7.82 0.00 -1.16 -4.60 121.76 121.86 3h8y s ALA 95 Ca -0.31 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 51.68 3h8y s ALA 95 Cb 0.09 0.01 0.19 0.00 0.00 0.00 0.00 23.12 23.40 3h8y s ALA 95 CO 0.59 -0.21 1.08 -1.25 0.00 0.00 0.00 175.76 175.98 3h8y s PRO 96 N -1.08 0.46 -0.32 0.00 0.04 -0.75 -4.81 135.00 128.54 3h8y s PRO 96 Ca -0.12 0.73 -0.15 0.00 0.04 0.00 0.00 61.00 61.50 3h8y s PRO 96 Cb -0.06 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 3h8y s PRO 96 CO 0.02 -2.76 0.38 -1.21 0.04 0.00 0.00 177.00 173.47 3h8y s GLU 97 N -4.84 3.72 0.00 4.56 2.02 -1.26 -5.00 118.70 117.90 3h8y s GLU 97 Ca 0.65 -0.24 0.23 0.00 0.02 0.00 0.00 54.97 55.63 3h8y s GLU 97 Cb -0.20 -3.75 1.35 0.00 0.10 0.00 0.00 34.13 31.63 3h8y s GLU 97 CO 0.59 -0.45 1.72 0.00 0.02 0.00 0.00 175.26 177.14