#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7s s GLN 2 N 0.00 2.70 0.26 3.17 -0.21 -1.26 -0.81 119.66 123.51 3h7s s GLN 2 Ca 0.00 -0.67 0.06 0.00 0.02 0.00 0.00 55.36 54.77 3h7s s GLN 2 Cb 0.00 -2.46 -0.06 0.00 1.00 0.00 0.00 33.01 31.50 3h7s s GLN 2 CO 0.00 0.55 -0.06 0.96 -2.12 0.00 0.00 175.29 174.62 3h7s s ILE 3 N -0.54 1.54 0.09 1.08 -4.36 -0.77 0.11 121.20 118.36 3h7s s ILE 3 Ca 0.07 -2.12 0.08 0.00 -0.26 0.00 0.00 60.65 58.42 3h7s s ILE 3 Cb -0.12 -2.39 -0.04 0.00 1.25 0.00 0.00 42.46 41.17 3h7s s ILE 3 CO 0.02 -0.34 -0.14 -0.36 0.24 0.00 0.00 174.94 174.35 3h7s s PHE 4 N -3.08 2.64 -0.10 1.37 0.08 0.68 -0.81 117.98 118.76 3h7s s PHE 4 Ca 0.28 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.14 3h7s s PHE 4 Cb 0.04 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 41.09 3h7s s PHE 4 CO 0.11 0.38 -0.13 0.08 -0.10 0.00 0.00 175.22 175.56 3h7s s VAL 5 N -1.13 1.30 -0.59 -0.44 1.01 -0.22 0.20 120.40 120.53 3h7s s VAL 5 Ca 0.19 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.39 3h7s s VAL 5 Cb -0.11 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 35.10 3h7s s VAL 5 CO 0.10 0.40 1.08 -0.75 0.00 0.00 0.00 175.10 175.94 3h7s s LYS 6 N 1.06 3.37 0.90 2.72 2.47 0.77 -1.26 119.74 129.76 3h7s s LYS 6 Ca -0.06 -0.11 -0.15 0.00 -1.56 0.00 0.00 55.97 54.09 3h7s s LYS 6 Cb -0.15 -4.07 0.21 0.00 -1.46 0.00 0.00 37.83 32.37 3h7s s LYS 6 CO -0.02 -1.67 1.05 0.25 0.16 0.00 0.00 175.35 175.12 3h7s n THR 7 N 6.38 0.00 0.46 3.43 -2.24 -0.39 -1.09 114.28 120.83 3h7s n THR 7 Ca 0.04 -0.68 0.11 0.00 -2.27 0.00 0.00 64.05 61.25 3h7s n THR 7 Cb 0.48 -1.45 0.44 0.00 -2.10 0.00 0.00 70.33 67.70 3h7s n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3h7s n LEU 8 N 0.00 0.48 0.10 3.22 4.77 -1.26 -2.24 117.00 122.07 3h7s n LEU 8 Ca 0.14 0.61 0.09 0.00 -0.03 0.00 0.00 56.01 56.82 3h7s n LEU 8 Cb 0.49 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3h7s n LEU 8 CO 0.35 -0.43 0.01 0.71 -1.33 0.00 0.00 177.39 176.70 3h7s h THR 9 N 0.00 0.10 0.00 -5.08 1.35 -1.96 -3.48 112.91 103.85 3h7s h THR 9 Ca 0.00 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 3h7s h THR 9 Cb 0.36 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3h7s h THR 9 CO 0.00 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 3h7s n GLY 10 N 1.22 0.44 3.89 5.82 0.00 -0.95 -5.08 105.19 110.52 3h7s n GLY 10 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3h7s n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h7s s LYS 11 N -0.71 0.39 -0.09 1.61 1.02 -1.26 -4.75 119.74 115.95 3h7s s LYS 11 Ca 0.00 -0.38 0.01 0.00 0.02 0.00 0.00 55.97 55.62 3h7s s LYS 11 Cb 0.00 -1.81 0.02 0.00 -0.52 0.00 0.00 37.83 35.51 3h7s s LYS 11 CO 0.00 -2.59 -0.10 0.99 -0.92 0.00 0.00 175.35 172.73 3h7s s THR 12 N -3.79 1.07 0.21 2.17 2.01 -1.26 -1.27 115.64 114.79 3h7s s THR 12 Ca 0.74 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.42 3h7s s THR 12 Cb -0.04 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 3h7s s THR 12 CO 0.53 0.36 0.12 0.27 -0.69 0.00 0.00 174.62 175.21 3h7s s ILE 13 N 1.13 4.22 -0.13 1.82 -4.36 -0.39 -4.92 121.20 118.57 3h7s s ILE 13 Ca -0.06 -1.37 -0.03 0.00 -0.26 0.00 0.00 60.65 58.93 3h7s s ILE 13 Cb -0.14 -3.21 -0.03 0.00 1.25 0.00 0.00 42.46 40.32 3h7s s ILE 13 CO -0.02 -0.24 -0.04 -0.89 0.24 0.00 0.00 174.94 173.99 3h7s s THR 14 N -1.98 3.91 -0.07 8.37 2.01 -1.26 -1.05 115.64 125.57 3h7s s THR 14 Ca 0.31 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 61.99 3h7s s THR 14 Cb -0.09 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 3h7s s THR 14 CO 0.23 0.53 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.72 3h7s s LEU 15 N -0.01 2.33 -0.22 4.42 1.43 0.01 -4.98 118.68 121.66 3h7s s LEU 15 Ca 0.01 -0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 52.45 3h7s s LEU 15 Cb -0.13 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 3h7s s LEU 15 CO 0.03 0.25 0.83 -0.70 0.23 0.00 0.00 176.35 176.99 3h7s s GLU 16 N -0.19 4.22 0.23 1.70 2.56 -1.26 -1.85 118.70 124.11 3h7s s GLU 16 Ca -0.02 0.97 -0.00 0.00 0.00 0.00 0.00 54.97 55.92 3h7s s GLU 16 Cb -0.14 -3.62 -0.04 0.00 2.00 0.00 0.00 34.13 32.34 3h7s s GLU 16 CO 0.03 -0.46 0.18 0.14 -0.56 0.00 0.00 175.26 174.60 3h7s s VAL 17 N 2.63 0.00 0.15 3.70 -7.23 0.01 -4.98 120.40 114.68 3h7s s VAL 17 Ca 0.36 -1.96 0.09 0.00 -1.81 0.00 0.00 61.98 58.67 3h7s s VAL 17 Cb -0.16 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 3h7s s VAL 17 CO 0.09 0.00 -0.22 -1.61 -0.31 0.00 0.00 175.10 173.05 3h7s s GLU 18 N -4.00 1.31 0.58 4.82 2.02 -1.26 -1.20 118.70 120.97 3h7s s GLU 18 Ca 0.38 -1.36 0.28 0.00 0.02 0.00 0.00 54.97 54.29 3h7s s GLU 18 Cb 0.06 -1.55 1.54 0.00 0.10 0.00 0.00 34.13 34.28 3h7s s GLU 18 CO 0.15 0.34 2.00 -1.35 0.02 0.00 0.00 175.26 176.42 3h7s h PRO 19 N 3.54 0.00 -0.44 0.39 0.11 -1.98 -0.33 132.00 133.30 3h7s h PRO 19 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3h7s h PRO 19 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3h7s h PRO 19 CO 0.46 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.68 3h7s n SER 20 N -3.86 3.42 -4.74 -2.05 7.64 -1.26 -0.26 113.62 112.52 3h7s n SER 20 Ca 0.06 -1.96 -0.42 0.00 1.01 0.00 0.00 58.87 57.56 3h7s n SER 20 Cb 0.51 -0.29 -0.01 0.00 -1.01 0.00 0.00 64.21 63.41 3h7s n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3h7s n ASP 21 N 1.36 3.38 -4.89 6.43 8.00 -0.14 -4.74 116.55 125.95 3h7s n ASP 21 Ca 0.19 1.20 -0.29 0.00 0.71 0.00 0.00 54.79 56.60 3h7s n ASP 21 Cb 0.57 -1.56 0.05 0.00 -0.02 0.00 0.00 41.12 40.16 3h7s n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3h7s s THR 22 N -0.86 3.17 0.39 -3.53 -4.23 -1.26 -1.23 115.64 108.10 3h7s s THR 22 Ca 0.57 0.28 0.09 0.00 -1.18 0.00 0.00 61.69 61.45 3h7s s THR 22 Cb -0.52 -3.36 0.17 0.00 1.34 0.00 0.00 72.50 70.13 3h7s s THR 22 CO 0.60 -0.45 1.94 0.40 -0.54 0.00 0.00 174.62 176.57 3h7s h ILE 23 N -0.65 1.16 -0.61 2.99 1.08 -0.97 -2.00 117.51 118.50 3h7s h ILE 23 Ca -0.45 -0.68 -0.02 0.00 -0.39 0.00 0.00 64.86 63.31 3h7s h ILE 23 Cb 1.27 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 36.12 3h7s h ILE 23 CO 0.64 0.22 0.30 -0.08 -0.69 0.00 0.00 178.15 178.54 3h7s h GLU 24 N 0.26 0.87 -0.92 2.37 4.57 -1.76 -0.89 114.58 119.08 3h7s h GLU 24 Ca 0.06 -0.12 0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3h7s h GLU 24 Cb 0.31 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 3h7s h GLU 24 CO 0.02 0.69 0.60 -0.91 -1.18 0.00 0.00 179.01 178.23 3h7s h ASN 25 N 0.83 1.00 -0.26 1.04 4.21 -1.68 -1.82 115.58 118.90 3h7s h ASN 25 Ca 0.21 -0.01 -0.18 0.00 1.21 0.00 0.00 56.30 57.52 3h7s h ASN 25 Cb 0.10 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.07 3h7s h ASN 25 CO -0.03 0.69 -0.55 0.58 -1.29 0.00 0.00 177.43 176.84 3h7s h VAL 26 N 1.16 1.28 -0.69 2.81 2.07 -1.04 -2.63 116.25 119.21 3h7s h VAL 26 Ca 0.36 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 3h7s h VAL 26 Cb -0.01 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3h7s h VAL 26 CO -0.11 0.56 0.37 0.11 0.02 0.00 0.00 177.57 178.52 3h7s h LYS 27 N 0.66 0.95 -0.43 1.57 1.57 -0.83 -0.12 116.57 119.95 3h7s h LYS 27 Ca 0.01 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 3h7s h LYS 27 Cb 1.15 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 3h7s h LYS 27 CO 0.12 0.71 0.00 0.00 -0.57 0.00 0.00 179.45 179.71 3h7s h ALA 28 N 1.44 1.20 -0.19 3.86 0.00 -1.24 -1.49 119.26 122.84 3h7s h ALA 28 Ca 0.24 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3h7s h ALA 28 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3h7s h ALA 28 CO -0.04 0.52 -0.46 0.87 0.00 0.00 0.00 179.25 180.15 3h7s h LYS 29 N 0.65 0.48 -0.22 0.00 1.57 -0.96 -3.03 116.57 115.07 3h7s h LYS 29 Ca 0.13 -0.26 -0.14 0.00 -1.87 0.00 0.00 60.65 58.50 3h7s h LYS 29 Cb 0.40 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3h7s h LYS 29 CO 0.02 0.84 -0.46 0.82 -0.57 0.00 0.00 179.45 180.10 3h7s h ILE 30 N 0.39 1.31 -0.20 1.86 2.04 -0.58 -2.95 117.51 119.38 3h7s h ILE 30 Ca 0.03 -1.67 -0.08 0.00 1.00 0.00 0.00 64.86 64.14 3h7s h ILE 30 Cb 0.95 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 3h7s h ILE 30 CO 0.08 0.52 -0.21 0.06 0.00 0.00 0.00 178.15 178.60 3h7s h GLN 31 N 0.45 0.35 -0.68 2.37 3.07 -1.25 -0.07 115.11 119.35 3h7s h GLN 31 Ca 0.03 -0.11 -0.04 0.00 0.09 0.00 0.00 58.65 58.61 3h7s h GLN 31 Cb 0.98 -0.03 -0.03 0.00 0.08 0.00 0.00 27.48 28.48 3h7s h GLN 31 CO 0.09 0.56 0.26 -0.44 0.09 0.00 0.00 178.83 179.38 3h7s h ASP 32 N 0.32 0.93 0.30 0.06 3.32 -1.40 -0.14 116.42 119.82 3h7s h ASP 32 Ca 0.05 -0.14 -0.33 0.00 0.02 0.00 0.00 57.03 56.63 3h7s h ASP 32 Cb 0.56 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3h7s h ASP 32 CO 0.04 0.84 -1.80 0.11 -1.72 0.00 0.00 179.24 176.71 3h7s h LYS 33 N 0.99 0.20 0.00 3.56 1.57 -1.46 -3.42 116.57 118.01 3h7s h LYS 33 Ca 0.23 -0.34 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 3h7s h LYS 33 Cb 0.21 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3h7s h LYS 33 CO -0.02 1.01 -1.69 0.39 -0.57 0.00 0.00 179.45 178.57 3h7s n GLU 34 N -3.36 1.11 -0.83 3.15 -0.58 -0.06 -5.02 120.64 115.04 3h7s n GLU 34 Ca -0.24 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.43 3h7s n GLU 34 Cb 1.05 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.61 3h7s n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h7s n GLY 35 N 1.98 0.58 3.58 0.62 0.00 -0.07 -5.03 105.19 106.86 3h7s n GLY 35 Ca -0.10 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 3h7s n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h7s s ILE 36 N -2.00 4.79 0.54 -0.61 1.09 -1.26 -5.04 121.20 118.71 3h7s s ILE 36 Ca 0.00 -0.02 -0.21 0.00 -1.10 0.00 0.00 60.65 59.32 3h7s s ILE 36 Cb 0.00 -3.21 -0.05 0.00 -1.06 0.00 0.00 42.46 38.14 3h7s s ILE 36 CO 0.00 0.39 1.26 -2.84 -0.10 0.00 0.00 174.94 173.64 3h7s s PRO 37 N 0.97 3.25 0.34 2.79 0.02 -1.26 -3.89 135.00 137.21 3h7s s PRO 37 Ca 0.05 1.98 0.09 0.00 0.02 0.00 0.00 61.00 63.14 3h7s s PRO 37 Cb -0.14 -2.19 0.83 0.00 0.02 0.00 0.00 34.50 33.02 3h7s s PRO 37 CO 0.03 -1.03 1.81 -1.35 -0.33 0.00 0.00 177.00 176.13 3h7s h PRO 38 N 1.43 0.66 0.00 5.54 0.11 -1.95 -1.09 132.00 136.70 3h7s h PRO 38 Ca -0.50 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 3h7s h PRO 38 Cb 1.29 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3h7s h PRO 38 CO 0.57 0.44 -0.10 -0.44 -0.21 0.00 0.00 178.00 178.26 3h7s h ASP 39 N 0.68 0.00 -0.37 -2.05 3.45 -1.96 -1.13 116.42 115.03 3h7s h ASP 39 Ca 0.54 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.00 3h7s h ASP 39 Cb 0.94 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 3h7s h ASP 39 CO -0.30 0.10 0.00 0.00 -1.57 0.00 0.00 179.24 177.47 3h7s n GLN 40 N -4.26 2.31 -3.71 3.56 6.02 -0.43 -4.80 117.38 116.08 3h7s n GLN 40 Ca -0.03 -1.98 -0.37 0.00 -0.01 0.00 0.00 57.00 54.61 3h7s n GLN 40 Cb 0.18 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 29.89 3h7s n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3h7s s GLN 41 N -1.52 3.85 -0.08 -1.09 -0.21 -0.43 -0.03 119.66 120.15 3h7s s GLN 41 Ca 0.37 -0.00 0.02 0.00 0.02 0.00 0.00 55.36 55.77 3h7s s GLN 41 Cb 0.21 -3.29 0.01 0.00 1.00 0.00 0.00 33.01 30.94 3h7s s GLN 41 CO 0.30 0.55 -0.14 0.50 -2.12 0.00 0.00 175.29 174.38 3h7s s ARG 42 N -0.45 1.94 -0.13 2.91 3.52 -0.01 -4.73 118.95 122.01 3h7s s ARG 42 Ca 0.16 -0.48 -0.04 0.00 -0.13 0.00 0.00 55.73 55.23 3h7s s ARG 42 Cb -0.13 -1.61 -0.04 0.00 -1.56 0.00 0.00 34.95 31.62 3h7s s ARG 42 CO 0.04 0.01 0.03 -0.51 -0.81 0.00 0.00 175.30 174.06 3h7s s LEU 43 N 0.76 3.69 -0.07 -0.88 1.43 -1.26 -0.65 118.68 121.70 3h7s s LEU 43 Ca -0.12 0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 3h7s s LEU 43 Cb -0.16 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 3h7s s LEU 43 CO 0.03 0.30 -0.23 -0.63 0.23 0.00 0.00 176.35 176.04 3h7s s ILE 44 N -0.39 1.94 -0.04 -0.59 -1.09 0.19 -1.13 121.20 120.10 3h7s s ILE 44 Ca 0.08 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 57.52 3h7s s ILE 44 Cb -0.12 -1.66 0.02 0.00 -1.58 0.00 0.00 42.46 39.13 3h7s s ILE 44 CO 0.02 0.54 -0.02 0.12 -1.23 0.00 0.00 174.94 174.37 3h7s s PHE 45 N 0.03 0.50 -1.59 3.97 5.36 -0.01 -0.47 117.98 125.77 3h7s s PHE 45 Ca -0.08 -0.09 -0.12 0.00 -0.96 0.00 0.00 56.93 55.68 3h7s s PHE 45 Cb -0.15 -0.52 0.10 0.00 -0.34 0.00 0.00 43.02 42.12 3h7s s PHE 45 CO 0.05 -0.16 0.70 0.00 -1.46 0.00 0.00 175.22 174.36 3h7s n ALA 46 N 4.10 -1.49 -0.91 11.12 0.00 -1.26 -0.23 120.51 131.83 3h7s n ALA 46 Ca -0.26 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3h7s n ALA 46 Cb 0.51 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 16.93 3h7s n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h7s n GLY 47 N -1.62 0.59 3.55 0.00 0.00 -1.26 -5.01 105.19 101.44 3h7s n GLY 47 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3h7s n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h7s s LYS 48 N -0.38 2.60 0.23 1.61 1.02 0.68 -5.10 119.74 120.41 3h7s s LYS 48 Ca 0.00 -0.65 -0.30 0.00 0.02 0.00 0.00 55.97 55.05 3h7s s LYS 48 Cb 0.00 -2.49 -0.09 0.00 -0.52 0.00 0.00 37.83 34.73 3h7s s LYS 48 CO 0.00 0.63 1.09 -1.14 -0.92 0.00 0.00 175.35 175.01 3h7s s GLN 49 N -0.95 4.64 -0.17 1.68 0.74 -1.26 -0.83 119.66 123.51 3h7s s GLN 49 Ca 0.13 1.74 -0.08 0.00 0.05 0.00 0.00 55.36 57.20 3h7s s GLN 49 Cb -0.11 -3.24 -0.04 0.00 1.10 0.00 0.00 33.01 30.72 3h7s s GLN 49 CO 0.03 0.18 0.11 -0.51 -0.55 0.00 0.00 175.29 174.54 3h7s s LEU 50 N -0.91 4.12 0.02 3.68 1.43 -0.28 -4.95 118.68 121.79 3h7s s LEU 50 Ca 0.46 0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 53.64 3h7s s LEU 50 Cb -0.30 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 43.82 3h7s s LEU 50 CO 0.37 0.26 0.50 -1.61 0.23 0.00 0.00 176.35 176.10 3h7s s GLU 51 N -0.11 4.12 0.35 1.70 0.41 -1.26 -4.66 118.70 119.24 3h7s s GLU 51 Ca 0.09 0.59 0.06 0.00 -0.41 0.00 0.00 54.97 55.29 3h7s s GLU 51 Cb -0.12 -3.26 0.72 0.00 -1.78 0.00 0.00 34.13 29.69 3h7s s GLU 51 CO 0.00 0.59 1.92 -0.44 -0.49 0.00 0.00 175.26 176.85 3h7s h ASP 52 N 4.89 0.72 1.19 -0.19 3.32 -1.98 -2.07 116.42 122.29 3h7s h ASP 52 Ca -0.49 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3h7s h ASP 52 Cb 1.21 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3h7s h ASP 52 CO 0.64 0.43 0.00 0.61 -1.72 0.00 0.00 179.24 179.21 3h7s n GLY 53 N -1.43 -1.55 3.96 2.75 0.00 -1.26 -2.46 105.19 105.20 3h7s n GLY 53 Ca 0.13 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 3h7s n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h7s s ARG 54 N -3.10 3.04 0.37 1.61 0.52 -0.78 -4.87 118.95 115.74 3h7s s ARG 54 Ca 0.10 -0.54 0.07 0.00 -0.52 0.00 0.00 55.73 54.85 3h7s s ARG 54 Cb 0.13 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 33.02 3h7s s ARG 54 CO 0.53 -0.28 0.38 0.95 0.02 0.00 0.00 175.30 176.90 3h7s s THR 55 N -2.55 3.30 0.29 0.02 -4.23 -1.26 -0.97 115.64 110.24 3h7s s THR 55 Ca 0.49 -1.26 -0.02 0.00 -1.18 0.00 0.00 61.69 59.72 3h7s s THR 55 Cb -0.10 -3.14 0.23 0.00 1.34 0.00 0.00 72.50 70.83 3h7s s THR 55 CO 0.38 -0.10 1.93 -0.07 -0.54 0.00 0.00 174.62 176.21 3h7s h LEU 56 N 1.05 0.94 -0.87 4.79 3.38 -1.10 -2.43 115.31 121.06 3h7s h LEU 56 Ca -0.43 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.40 3h7s h LEU 56 Cb 1.26 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3h7s h LEU 56 CO 0.55 0.73 0.01 0.77 0.09 0.00 0.00 178.44 180.60 3h7s h SER 57 N 1.07 0.81 -1.00 -0.43 4.64 -0.88 0.10 113.55 117.87 3h7s h SER 57 Ca 0.28 -0.20 0.17 0.00 -0.47 0.00 0.00 61.79 61.57 3h7s h SER 57 Cb -0.02 -0.22 -0.10 0.00 -0.31 0.00 0.00 62.40 61.75 3h7s h SER 57 CO -0.05 0.87 0.62 0.44 -0.87 0.00 0.00 176.83 177.84 3h7s h ASP 58 N 0.79 0.82 -0.59 4.97 3.32 -1.71 -0.13 116.42 123.90 3h7s h ASP 58 Ca 0.15 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3h7s h ASP 58 Cb 0.46 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3h7s h ASP 58 CO 0.02 0.34 0.00 -1.22 -1.72 0.00 0.00 179.24 176.66 3h7s n TYR 59 N -4.71 0.86 -4.03 4.55 4.01 -0.98 -4.93 117.16 111.93 3h7s n TYR 59 Ca 0.22 -0.41 -0.29 0.00 -0.16 0.00 0.00 57.90 57.26 3h7s n TYR 59 Cb 0.51 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 39.48 3h7s n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3h7s n ASN 60 N 1.19 -1.29 -4.52 7.72 5.15 -0.06 -4.91 115.26 118.54 3h7s n ASN 60 Ca 0.20 -1.00 -0.43 0.00 -0.60 0.00 0.00 54.58 52.75 3h7s n ASN 60 Cb 0.54 -2.98 -0.05 0.00 -0.53 0.00 0.00 39.78 36.76 3h7s n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h7s s ILE 61 N -3.76 4.61 0.63 -1.44 1.01 -0.02 -5.02 121.20 117.22 3h7s s ILE 61 Ca 0.23 0.20 0.07 0.00 0.00 0.00 0.00 60.65 61.16 3h7s s ILE 61 Cb -0.13 -4.38 0.11 0.00 0.01 0.00 0.00 42.46 38.07 3h7s s ILE 61 CO 0.90 -0.86 0.88 -1.10 0.00 0.00 0.00 174.94 174.76 3h7s s GLN 62 N 3.36 2.05 0.00 2.79 -0.21 -1.26 -4.37 119.66 122.03 3h7s s GLN 62 Ca 0.27 -1.59 0.03 0.00 0.02 0.00 0.00 55.36 54.10 3h7s s GLN 62 Cb -0.14 -2.55 0.20 0.00 1.00 0.00 0.00 33.01 31.52 3h7s s GLN 62 CO 0.19 -1.10 0.69 0.36 -2.12 0.00 0.00 175.29 173.31 3h7s n LYS 63 N -2.45 0.10 0.00 2.91 2.85 -1.26 -1.78 118.16 118.53 3h7s n LYS 63 Ca 0.17 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 3h7s n LYS 63 Cb 0.62 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 3h7s n LYS 63 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3h7s n ARG 63 N -1.01 0.00 -0.88 -1.58 1.85 -1.26 -2.23 116.66 111.55 3h7s n ARG 63 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 3h7s n ARG 63 Cb 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.42 3h7s n ARG 63 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3h7s n GLU 64 N 0.00 -1.09 -1.73 2.89 1.02 0.31 -4.95 120.64 117.09 3h7s n GLU 64 Ca 0.00 0.27 -0.37 0.00 -0.02 0.00 0.00 57.16 57.04 3h7s n GLU 64 Cb 0.00 -4.43 0.06 0.00 -0.02 0.00 0.00 31.44 27.06 3h7s n GLU 64 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3h7s n SER 65 N -0.55 2.13 -4.27 1.62 7.64 -0.73 -4.66 113.62 114.80 3h7s n SER 65 Ca 0.00 0.85 -0.34 0.00 1.01 0.00 0.00 58.87 60.39 3h7s n SER 65 Cb 0.27 -1.55 -0.15 0.00 -1.01 0.00 0.00 64.21 61.77 3h7s n SER 65 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3h7s s THR 66 N -1.37 2.85 0.02 0.44 2.01 -1.26 -0.23 115.64 118.10 3h7s s THR 66 Ca 0.81 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 3h7s s THR 66 Cb -0.39 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 3h7s s THR 66 CO 0.42 0.49 0.23 -0.76 -0.69 0.00 0.00 174.62 174.30 3h7s s LEU 67 N 1.08 4.36 -0.22 4.42 1.02 0.13 -4.70 118.68 124.78 3h7s s LEU 67 Ca 0.00 0.42 -0.09 0.00 0.02 0.00 0.00 54.13 54.48 3h7s s LEU 67 Cb -0.15 -2.73 -0.04 0.00 0.02 0.00 0.00 46.19 43.29 3h7s s LEU 67 CO -0.03 0.23 0.10 -1.00 0.02 0.00 0.00 176.35 175.67 3h7s s HIS 68 N -1.37 3.24 -0.06 0.29 3.76 0.38 -0.17 115.29 121.37 3h7s s HIS 68 Ca 0.29 0.04 -0.20 0.00 -0.15 0.00 0.00 55.06 55.05 3h7s s HIS 68 Cb -0.13 -2.19 -0.05 0.00 1.11 0.00 0.00 32.58 31.33 3h7s s HIS 68 CO 0.20 0.02 0.56 -1.17 -0.85 0.00 0.00 174.74 173.50 3h7s s LEU 69 N 0.90 4.35 -0.01 0.89 2.96 -0.25 -0.64 118.68 126.88 3h7s s LEU 69 Ca 0.05 1.03 0.03 0.00 -0.22 0.00 0.00 54.13 55.02 3h7s s LEU 69 Cb -0.13 -2.85 -0.01 0.00 0.50 0.00 0.00 46.19 43.70 3h7s s LEU 69 CO 0.03 0.03 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.32 3h7s s VAL 70 N 0.26 0.66 0.18 1.68 1.01 0.17 -4.52 120.40 119.84 3h7s s VAL 70 Ca 0.30 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 3h7s s VAL 70 Cb -0.17 -0.55 -0.08 0.00 0.00 0.00 0.00 36.38 35.58 3h7s s VAL 70 CO 0.15 0.19 1.24 -0.22 0.00 0.00 0.00 175.10 176.45 3h7s s LEU 71 N -0.20 4.43 -0.36 3.92 2.96 -1.26 -0.83 118.68 127.35 3h7s s LEU 71 Ca 0.03 2.27 -0.05 0.00 -0.22 0.00 0.00 54.13 56.16 3h7s s LEU 71 Cb -0.03 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 43.12 3h7s s LEU 71 CO -0.00 -0.44 0.13 -0.60 -1.32 0.00 0.00 176.35 174.11 3h7s s ARG 72 N -0.05 2.45 -0.08 1.98 3.52 0.95 -4.81 118.95 122.91 3h7s s ARG 72 Ca 0.55 -1.37 -0.01 0.00 -0.13 0.00 0.00 55.73 54.77 3h7s s ARG 72 Cb -0.34 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.55 3h7s s ARG 72 CO 0.36 -0.78 -0.02 -0.51 -0.81 0.00 0.00 175.30 173.54 3h7s s LEU 73 N 1.32 3.44 0.32 -0.88 1.43 -1.26 -4.40 118.68 118.65 3h7s s LEU 73 Ca 0.00 0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.28 3h7s s LEU 73 Cb -0.21 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 3h7s s LEU 73 CO 0.00 0.36 0.01 -0.13 0.23 0.00 0.00 176.35 176.82 3h7s s ARG 74 N -0.79 2.11 0.00 1.70 0.52 -1.26 -5.19 118.95 116.04 3h7s s ARG 74 Ca 0.12 -1.68 0.00 0.00 -0.52 0.00 0.00 55.73 53.65 3h7s s ARG 74 Cb -0.11 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.38 3h7s s ARG 74 CO 0.02 0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.93