#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1q s GLN 2 N 0.00 2.11 0.24 3.17 -2.07 -1.26 0.98 119.66 122.84 3a1q s GLN 2 Ca 0.00 -0.98 0.04 0.00 -1.82 0.00 0.00 55.36 52.60 3a1q s GLN 2 Cb 0.00 -2.25 -0.05 0.00 -1.09 0.00 0.00 33.01 29.62 3a1q s GLN 2 CO 0.00 0.53 -0.01 0.96 -1.32 0.00 0.00 175.29 175.46 3a1q s ILE 3 N -1.04 1.10 0.13 3.63 -4.36 -0.04 -0.50 121.20 120.13 3a1q s ILE 3 Ca 0.17 -2.04 0.07 0.00 -0.26 0.00 0.00 60.65 58.59 3a1q s ILE 3 Cb -0.11 -2.37 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 3a1q s ILE 3 CO 0.08 -0.31 -0.09 -0.36 0.24 0.00 0.00 174.94 174.51 3a1q s PHE 4 N -3.37 2.73 -0.09 1.37 0.08 -0.29 -0.11 117.98 118.31 3a1q s PHE 4 Ca 0.29 -0.17 -0.00 0.00 0.12 0.00 0.00 56.93 57.17 3a1q s PHE 4 Cb 0.06 -1.40 0.02 0.00 -0.57 0.00 0.00 43.02 41.13 3a1q s PHE 4 CO 0.09 0.46 -0.04 0.08 -0.10 0.00 0.00 175.22 175.70 3a1q s VAL 5 N -1.37 0.72 0.03 -0.44 1.01 0.30 -0.21 120.40 120.44 3a1q s VAL 5 Ca 0.23 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.14 3a1q s VAL 5 Cb -0.10 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3a1q s VAL 5 CO 0.15 0.31 -0.16 -1.59 0.00 0.00 0.00 175.10 173.81 3a1q s LYS 6 N 1.66 1.08 0.40 2.72 -2.85 -0.06 1.00 119.74 123.69 3a1q s LYS 6 Ca 0.02 -0.76 0.01 0.00 -1.00 0.00 0.00 55.97 54.23 3a1q s LYS 6 Cb -0.13 -1.11 -0.02 0.00 -2.06 0.00 0.00 37.83 34.51 3a1q s LYS 6 CO -0.05 0.28 0.61 0.95 0.10 0.00 0.00 175.35 177.24 3a1q s THR 7 N -0.76 4.48 0.59 3.79 -4.23 -0.55 -0.62 115.64 118.35 3a1q s THR 7 Ca 0.04 -0.48 0.29 0.00 -1.18 0.00 0.00 61.69 60.36 3a1q s THR 7 Cb -0.08 -3.64 0.36 0.00 1.34 0.00 0.00 72.50 70.48 3a1q s THR 7 CO 0.01 -0.43 2.12 -0.07 -0.54 0.00 0.00 174.62 175.71 3a1q h LEU 8 N 0.56 0.00 -0.79 4.79 3.38 -1.91 0.59 115.31 121.93 3a1q h LEU 8 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3a1q h LEU 8 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3a1q h LEU 8 CO 0.59 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.12 3a1q h THR 9 N 0.00 0.00 0.00 0.22 1.03 -1.93 -3.46 112.91 108.77 3a1q h THR 9 Ca 0.07 -0.58 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 3a1q h THR 9 Cb 0.43 1.53 0.00 0.00 -1.07 0.00 0.00 68.15 69.04 3a1q h THR 9 CO -0.00 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.12 3a1q n GLY 10 N 0.44 0.70 3.69 2.99 0.00 0.20 -5.07 105.19 108.14 3a1q n GLY 10 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3a1q n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a1q s LYS 11 N -0.56 4.21 -0.13 1.61 2.36 -1.26 -4.80 119.74 121.18 3a1q s LYS 11 Ca 0.00 2.29 0.01 0.00 -2.55 0.00 0.00 55.97 55.73 3a1q s LYS 11 Cb 0.00 -3.54 -0.00 0.00 -1.05 0.00 0.00 37.83 33.23 3a1q s LYS 11 CO 0.00 -0.70 -0.18 0.99 1.55 0.00 0.00 175.35 177.01 3a1q s THR 12 N 2.43 2.55 -0.14 3.43 2.01 -1.26 -1.48 115.64 123.18 3a1q s THR 12 Ca 0.72 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 3a1q s THR 12 Cb -0.39 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 3a1q s THR 12 CO 0.32 0.53 -0.11 -0.63 -0.69 0.00 0.00 174.62 174.04 3a1q s ILE 13 N 0.51 3.23 -0.17 1.82 1.01 0.28 -4.93 121.20 122.95 3a1q s ILE 13 Ca -0.12 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 3a1q s ILE 13 Cb -0.16 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 3a1q s ILE 13 CO 0.05 0.51 0.07 0.42 0.00 0.00 0.00 174.94 175.99 3a1q s THR 14 N 0.40 4.90 0.15 2.92 -4.23 -1.26 0.11 115.64 118.64 3a1q s THR 14 Ca -0.09 -0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.53 3a1q s THR 14 Cb -0.15 -3.19 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 3a1q s THR 14 CO 0.05 0.50 -0.25 -0.76 -0.54 0.00 0.00 174.62 173.61 3a1q s LEU 15 N 0.04 2.37 -0.30 4.79 1.43 0.84 -4.96 118.68 122.90 3a1q s LEU 15 Ca 0.06 -0.80 -0.10 0.00 -1.03 0.00 0.00 54.13 52.27 3a1q s LEU 15 Cb -0.12 -1.18 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 3a1q s LEU 15 CO 0.01 0.15 0.15 -0.70 0.23 0.00 0.00 176.35 176.19 3a1q s GLU 16 N -2.31 3.53 0.26 1.70 2.56 -1.26 -0.86 118.70 122.32 3a1q s GLU 16 Ca 0.16 -0.59 0.03 0.00 0.00 0.00 0.00 54.97 54.57 3a1q s GLU 16 Cb -0.09 -3.57 -0.04 0.00 2.00 0.00 0.00 34.13 32.44 3a1q s GLU 16 CO 0.07 -0.33 0.20 0.14 -0.56 0.00 0.00 175.26 174.78 3a1q s VAL 17 N 1.65 0.00 0.04 3.70 -7.23 0.28 -4.96 120.40 113.88 3a1q s VAL 17 Ca 0.06 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.30 3a1q s VAL 17 Cb -0.17 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 3a1q s VAL 17 CO 0.07 0.00 -0.19 -1.61 -0.31 0.00 0.00 175.10 173.06 3a1q s GLU 18 N -3.83 1.26 0.57 4.82 0.41 -1.26 -0.77 118.70 119.90 3a1q s GLU 18 Ca 0.40 -0.89 0.30 0.00 -0.41 0.00 0.00 54.97 54.36 3a1q s GLU 18 Cb 0.05 -1.35 1.46 0.00 -1.78 0.00 0.00 34.13 32.51 3a1q s GLU 18 CO 0.19 0.34 1.87 -1.35 -0.49 0.00 0.00 175.26 175.82 3a1q h PRO 19 N 4.89 0.00 -0.00 0.39 0.11 -1.96 0.23 132.00 135.65 3a1q h PRO 19 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3a1q h PRO 19 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3a1q h PRO 19 CO 0.44 0.00 -0.05 -1.13 -0.21 0.00 0.00 178.00 177.04 3a1q n SER 20 N -3.93 0.06 -4.71 -2.05 3.41 -1.26 -1.67 113.62 103.48 3a1q n SER 20 Ca 0.13 0.36 -0.43 0.00 -0.26 0.00 0.00 58.87 58.67 3a1q n SER 20 Cb 0.82 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 3a1q n SER 20 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3a1q n ASP 21 N -1.47 3.53 -4.88 4.04 10.43 0.80 -4.75 116.55 124.25 3a1q n ASP 21 Ca 0.07 1.11 -0.30 0.00 2.57 0.00 0.00 54.79 58.25 3a1q n ASP 21 Cb 0.33 -1.52 0.00 0.00 1.84 0.00 0.00 41.12 41.77 3a1q n ASP 21 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3a1q s THR 22 N 0.48 4.78 0.19 -3.53 -4.23 -1.26 -1.16 115.64 110.91 3a1q s THR 22 Ca 0.71 0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 61.73 3a1q s THR 22 Cb -0.56 -3.86 0.11 0.00 1.34 0.00 0.00 72.50 69.52 3a1q s THR 22 CO 0.42 -1.02 1.83 0.40 -0.54 0.00 0.00 174.62 175.72 3a1q h ILE 23 N -0.06 1.07 -0.56 2.99 1.08 -0.61 0.49 117.51 121.91 3a1q h ILE 23 Ca -0.45 -0.26 0.14 0.00 -0.39 0.00 0.00 64.86 63.90 3a1q h ILE 23 Cb 1.20 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 35.18 3a1q h ILE 23 CO 0.62 0.14 0.39 -0.08 -0.69 0.00 0.00 178.15 178.53 3a1q h GLU 24 N 0.74 0.14 0.06 2.37 4.81 -1.49 0.29 114.58 121.51 3a1q h GLU 24 Ca 0.25 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 59.23 3a1q h GLU 24 Cb 0.02 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 3a1q h GLU 24 CO -0.10 0.09 -1.08 -0.97 -0.73 0.00 0.00 179.01 176.23 3a1q h ASN 25 N 0.15 0.36 -0.49 1.04 -1.24 -1.23 -3.21 115.58 110.96 3a1q h ASN 25 Ca 0.27 -0.35 -0.10 0.00 0.71 0.00 0.00 56.30 56.83 3a1q h ASN 25 Cb 0.86 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.78 3a1q h ASN 25 CO -0.04 1.22 -0.07 0.58 -1.29 0.00 0.00 177.43 177.82 3a1q h VAL 26 N 0.10 1.27 -0.61 2.57 2.07 0.26 -2.99 116.25 118.92 3a1q h VAL 26 Ca -0.09 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 3a1q h VAL 26 Cb 1.77 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 3a1q h VAL 26 CO 0.17 0.42 0.36 0.11 0.02 0.00 0.00 177.57 178.65 3a1q h LYS 27 N 0.78 0.84 -0.21 1.57 1.57 -1.42 -1.89 116.57 117.81 3a1q h LYS 27 Ca 0.13 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3a1q h LYS 27 Cb 0.62 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3a1q h LYS 27 CO 0.04 0.61 0.14 0.00 -0.57 0.00 0.00 179.45 179.67 3a1q h ALA 28 N 1.18 1.99 0.00 3.86 0.00 -1.53 0.21 119.26 124.96 3a1q h ALA 28 Ca 0.22 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 3a1q h ALA 28 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3a1q h ALA 28 CO -0.04 -0.02 -0.77 0.87 0.00 0.00 0.00 179.25 179.29 3a1q h LYS 29 N 0.17 0.00 -0.20 0.00 1.57 -1.25 -1.90 116.57 114.96 3a1q h LYS 29 Ca 0.09 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.66 3a1q h LYS 29 Cb 0.14 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.46 3a1q h LYS 29 CO -0.01 0.77 -0.70 0.82 -0.57 0.00 0.00 179.45 179.76 3a1q h ILE 30 N 0.00 1.28 -0.95 1.86 2.04 -0.27 -2.40 117.51 119.07 3a1q h ILE 30 Ca -0.01 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 63.97 3a1q h ILE 30 Cb 1.52 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 39.43 3a1q h ILE 30 CO 0.10 0.60 0.61 -0.61 0.00 0.00 0.00 178.15 178.85 3a1q h GLN 31 N 0.57 1.26 -0.60 2.37 4.15 -0.61 0.21 115.11 122.47 3a1q h GLN 31 Ca -0.03 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 3a1q h GLN 31 Cb 1.32 -0.28 -0.03 0.00 0.21 0.00 0.00 27.48 28.71 3a1q h GLN 31 CO 0.15 0.85 0.30 -0.44 -1.93 0.00 0.00 178.83 177.76 3a1q h ASP 32 N 1.29 0.77 1.07 -0.69 5.19 -1.21 1.02 116.42 123.86 3a1q h ASP 32 Ca 0.34 -0.12 -0.07 0.00 -0.62 0.00 0.00 57.03 56.56 3a1q h ASP 32 Cb -0.11 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.19 3a1q h ASP 32 CO -0.07 0.67 -0.97 0.11 -3.12 0.00 0.00 179.24 175.86 3a1q h LYS 33 N 0.81 0.00 0.00 3.56 1.57 -1.12 -3.40 116.57 117.99 3a1q h LYS 33 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3a1q h LYS 33 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3a1q h LYS 33 CO -0.03 0.17 -0.05 0.39 -0.57 0.00 0.00 179.45 179.36 3a1q n GLU 34 N -2.88 5.60 -0.68 3.15 -0.58 0.70 -5.02 120.64 120.93 3a1q n GLU 34 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 3a1q n GLU 34 Cb 0.68 -0.45 0.00 0.00 -0.57 0.00 0.00 31.44 31.09 3a1q n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a1q n GLY 35 N 0.92 1.42 3.65 0.62 0.00 0.35 -4.99 105.19 107.16 3a1q n GLY 35 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3a1q n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1q s ILE 36 N -3.60 4.09 0.33 -0.61 1.01 -1.25 -4.94 121.20 116.23 3a1q s ILE 36 Ca 0.00 1.29 -0.29 0.00 0.00 0.00 0.00 60.65 61.65 3a1q s ILE 36 Cb 0.00 -3.92 -0.11 0.00 0.01 0.00 0.00 42.46 38.44 3a1q s ILE 36 CO 0.00 -0.21 1.51 -2.84 0.00 0.00 0.00 174.94 173.41 3a1q s PRO 37 N 3.84 4.14 0.29 2.79 0.02 -1.26 -3.54 135.00 141.28 3a1q s PRO 37 Ca 0.60 2.53 0.03 0.00 0.02 0.00 0.00 61.00 64.18 3a1q s PRO 37 Cb -0.23 -3.01 0.74 0.00 0.02 0.00 0.00 34.50 32.03 3a1q s PRO 37 CO 0.20 -0.54 1.66 -1.35 -0.33 0.00 0.00 177.00 176.64 3a1q h PRO 38 N 3.97 0.27 0.00 5.54 0.11 -1.93 0.17 132.00 140.12 3a1q h PRO 38 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3a1q h PRO 38 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3a1q h PRO 38 CO 0.72 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 178.28 3a1q n ASP 39 N -5.15 0.00 -0.47 -2.05 3.85 -1.26 -1.25 116.55 110.22 3a1q n ASP 39 Ca 0.22 0.21 0.11 0.00 -0.71 0.00 0.00 54.79 54.62 3a1q n ASP 39 Cb 0.70 -0.33 -0.01 0.00 -1.35 0.00 0.00 41.12 40.13 3a1q n ASP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3a1q n GLN 40 N -1.33 1.17 -3.64 0.11 1.13 0.05 -4.83 117.38 110.03 3a1q n GLN 40 Ca 0.04 -0.94 -0.38 0.00 -1.94 0.00 0.00 57.00 53.79 3a1q n GLN 40 Cb 0.09 -1.47 -0.06 0.00 0.11 0.00 0.00 30.24 28.90 3a1q n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3a1q s GLN 41 N -2.48 3.76 -0.18 -1.09 -0.21 -0.38 -1.82 119.66 117.25 3a1q s GLN 41 Ca 0.18 0.20 -0.02 0.00 0.02 0.00 0.00 55.36 55.73 3a1q s GLN 41 Cb 0.18 -3.22 0.05 0.00 1.00 0.00 0.00 33.01 31.02 3a1q s GLN 41 CO 0.58 0.70 0.02 1.03 -2.12 0.00 0.00 175.29 175.50 3a1q s ARG 42 N -0.98 0.77 -0.09 2.91 0.52 -0.86 -4.96 118.95 116.25 3a1q s ARG 42 Ca 0.20 -0.40 -0.04 0.00 -0.52 0.00 0.00 55.73 54.97 3a1q s ARG 42 Cb -0.15 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 3a1q s ARG 42 CO 0.09 -0.58 0.10 -0.51 0.02 0.00 0.00 175.30 174.42 3a1q s LEU 43 N 1.83 4.10 -0.00 2.53 1.43 -1.26 -1.78 118.68 125.52 3a1q s LEU 43 Ca -0.00 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 3a1q s LEU 43 Cb -0.16 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 3a1q s LEU 43 CO -0.07 0.38 -0.06 -0.63 0.23 0.00 0.00 176.35 176.19 3a1q s ILE 44 N -1.03 0.45 -0.04 -0.59 1.01 0.08 -0.52 121.20 120.56 3a1q s ILE 44 Ca 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 3a1q s ILE 44 Cb -0.12 -0.38 0.03 0.00 0.01 0.00 0.00 42.46 42.00 3a1q s ILE 44 CO 0.06 0.13 0.09 0.12 0.00 0.00 0.00 174.94 175.33 3a1q s PHE 45 N -0.12 -0.08 -1.57 3.97 5.36 0.24 -0.41 117.98 125.37 3a1q s PHE 45 Ca 0.02 0.29 -0.13 0.00 -0.96 0.00 0.00 56.93 56.15 3a1q s PHE 45 Cb -0.02 -0.09 0.10 0.00 -0.34 0.00 0.00 43.02 42.67 3a1q s PHE 45 CO -0.00 -0.10 0.83 0.00 -1.46 0.00 0.00 175.22 174.48 3a1q n ALA 46 N 3.81 -1.40 -0.96 11.12 0.00 -1.26 -0.79 120.51 131.02 3a1q n ALA 46 Ca -0.22 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3a1q n ALA 46 Cb 0.54 -3.62 0.00 0.00 0.00 0.00 0.00 19.45 16.37 3a1q n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1q n GLY 47 N -1.61 0.98 3.50 0.00 0.00 -1.26 -5.02 105.19 101.78 3a1q n GLY 47 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3a1q n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a1q s LYS 48 N -0.05 2.54 -0.09 1.61 2.20 0.03 -5.10 119.74 120.88 3a1q s LYS 48 Ca 0.00 -0.68 -0.26 0.00 -0.36 0.00 0.00 55.97 54.67 3a1q s LYS 48 Cb 0.00 -2.41 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 3a1q s LYS 48 CO 0.00 0.63 0.84 -1.14 -0.36 0.00 0.00 175.35 175.32 3a1q s GLN 49 N -0.78 4.42 0.24 4.03 0.74 -1.26 -0.59 119.66 126.46 3a1q s GLN 49 Ca 0.12 1.10 -0.27 0.00 0.05 0.00 0.00 55.36 56.36 3a1q s GLN 49 Cb -0.11 -3.50 -0.09 0.00 1.10 0.00 0.00 33.01 30.41 3a1q s GLN 49 CO 0.01 -0.13 0.88 -0.51 -0.55 0.00 0.00 175.29 174.99 3a1q s LEU 50 N 1.41 4.55 -0.18 3.68 1.43 0.32 -4.98 118.68 124.92 3a1q s LEU 50 Ca 0.42 1.81 -0.09 0.00 -1.03 0.00 0.00 54.13 55.25 3a1q s LEU 50 Cb -0.18 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 3a1q s LEU 50 CO 0.19 0.12 0.13 -1.61 0.23 0.00 0.00 176.35 175.40 3a1q s GLU 51 N -1.41 3.96 0.39 1.70 0.41 -1.26 -4.71 118.70 117.78 3a1q s GLU 51 Ca 0.42 -0.21 0.23 0.00 -0.41 0.00 0.00 54.97 55.00 3a1q s GLU 51 Cb -0.23 -3.33 1.33 0.00 -1.78 0.00 0.00 34.13 30.11 3a1q s GLU 51 CO 0.28 0.43 1.61 -0.44 -0.49 0.00 0.00 175.26 176.66 3a1q h ASP 52 N 6.20 0.33 1.20 -0.19 3.45 -1.97 0.15 116.42 125.59 3a1q h ASP 52 Ca -0.45 0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.21 3a1q h ASP 52 Cb 1.17 0.18 0.00 0.00 -0.56 0.00 0.00 39.33 40.13 3a1q h ASP 52 CO 0.70 -0.27 0.00 0.61 -1.57 0.00 0.00 179.24 178.71 3a1q n GLY 53 N -1.37 -1.57 3.95 2.75 0.00 -1.26 -1.41 105.19 106.27 3a1q n GLY 53 Ca 0.36 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 3a1q n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1q s ARG 54 N -3.07 2.27 0.28 1.61 3.00 0.04 -4.85 118.95 118.24 3a1q s ARG 54 Ca 0.12 -0.47 0.08 0.00 0.00 0.00 0.00 55.73 55.45 3a1q s ARG 54 Cb 0.15 -2.28 -0.04 0.00 0.00 0.00 0.00 34.95 32.78 3a1q s ARG 54 CO 0.54 -1.08 0.13 0.95 0.00 0.00 0.00 175.30 175.84 3a1q s THR 55 N -3.08 3.75 0.46 0.02 -4.23 -1.26 -0.29 115.64 111.01 3a1q s THR 55 Ca 0.60 -1.63 0.12 0.00 -1.18 0.00 0.00 61.69 59.60 3a1q s THR 55 Cb -0.10 -3.11 0.28 0.00 1.34 0.00 0.00 72.50 70.90 3a1q s THR 55 CO 0.43 -0.31 2.08 -0.07 -0.54 0.00 0.00 174.62 176.21 3a1q h LEU 56 N 1.61 0.26 -0.98 4.79 3.38 -1.09 -0.75 115.31 122.52 3a1q h LEU 56 Ca -0.46 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 3a1q h LEU 56 Cb 1.25 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3a1q h LEU 56 CO 0.61 0.18 -0.27 0.77 0.09 0.00 0.00 178.44 179.82 3a1q h SER 57 N 0.30 0.42 -0.34 -0.43 4.64 -1.59 -0.39 113.55 116.17 3a1q h SER 57 Ca 0.11 -0.14 0.06 0.00 -0.47 0.00 0.00 61.79 61.34 3a1q h SER 57 Cb 0.07 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3a1q h SER 57 CO -0.02 0.68 0.23 0.44 -0.87 0.00 0.00 176.83 177.29 3a1q h ASP 58 N 0.37 0.19 -0.70 4.97 3.32 -1.42 -0.23 116.42 122.92 3a1q h ASP 58 Ca 0.05 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3a1q h ASP 58 Cb 0.67 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3a1q h ASP 58 CO 0.05 0.12 0.00 -1.22 -1.72 0.00 0.00 179.24 176.47 3a1q n TYR 59 N -4.48 1.11 -3.29 4.55 4.01 -1.00 -4.95 117.16 113.12 3a1q n TYR 59 Ca 0.04 -0.53 -0.24 0.00 -0.16 0.00 0.00 57.90 57.01 3a1q n TYR 59 Cb 0.26 -0.07 0.02 0.00 -0.31 0.00 0.00 39.34 39.24 3a1q n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3a1q n ASN 60 N 1.47 -5.02 -4.66 7.72 3.02 -0.10 -4.89 115.26 112.80 3a1q n ASN 60 Ca 0.25 -0.40 -0.43 0.00 -0.03 0.00 0.00 54.58 53.97 3a1q n ASN 60 Cb 0.69 -4.07 -0.02 0.00 -0.61 0.00 0.00 39.78 35.77 3a1q n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3a1q s ILE 61 N -3.10 4.22 0.52 2.41 1.01 -0.19 -4.99 121.20 121.08 3a1q s ILE 61 Ca 0.40 1.48 0.07 0.00 0.00 0.00 0.00 60.65 62.60 3a1q s ILE 61 Cb -0.19 -3.95 0.07 0.00 0.01 0.00 0.00 42.46 38.39 3a1q s ILE 61 CO 0.49 -0.12 0.60 0.00 0.00 0.00 0.00 174.94 175.91 3a1q n GLN 62 N 6.54 0.68 -1.65 2.79 10.64 -1.26 -4.67 117.38 130.44 3a1q n GLN 62 Ca 0.14 -3.00 -0.46 0.00 -1.83 0.00 0.00 57.00 51.85 3a1q n GLN 62 Cb 0.45 -0.01 -0.04 0.00 -0.86 0.00 0.00 30.24 29.79 3a1q n GLN 62 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 3a1q n ARG 63 N -1.98 1.90 -2.09 2.61 0.63 -1.26 -1.97 116.66 114.50 3a1q n ARG 63 Ca 0.09 0.68 -0.19 0.00 -0.92 0.00 0.00 57.85 57.51 3a1q n ARG 63 Cb 0.56 -2.36 -0.04 0.00 0.45 0.00 0.00 32.46 31.08 3a1q n ARG 63 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3a1q n GLU 64 N 2.51 -1.67 -1.37 -0.14 1.02 0.34 -4.97 120.64 116.36 3a1q n GLU 64 Ca 0.14 0.98 -0.30 0.00 -0.02 0.00 0.00 57.16 57.96 3a1q n GLU 64 Cb 0.29 -5.52 0.10 0.00 -0.02 0.00 0.00 31.44 26.29 3a1q n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3a1q s SER 65 N -2.25 4.36 -0.15 1.62 0.01 -0.83 -4.70 113.70 111.76 3a1q s SER 65 Ca 0.00 1.57 0.02 0.00 1.31 0.00 0.00 55.95 58.84 3a1q s SER 65 Cb 0.00 -2.30 0.01 0.00 0.21 0.00 0.00 66.02 63.94 3a1q s SER 65 CO 0.00 -2.09 -0.19 -0.89 0.41 0.00 0.00 173.24 170.48 3a1q s THR 66 N -3.00 2.28 -0.08 1.44 2.01 -1.26 -1.13 115.64 115.90 3a1q s THR 66 Ca 0.61 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.66 3a1q s THR 66 Cb -0.16 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 3a1q s THR 66 CO 0.56 0.53 0.15 -0.76 -0.69 0.00 0.00 174.62 174.42 3a1q s LEU 67 N 0.87 4.38 -0.19 4.42 1.02 0.71 -4.80 118.68 125.10 3a1q s LEU 67 Ca -0.05 0.43 -0.07 0.00 0.02 0.00 0.00 54.13 54.45 3a1q s LEU 67 Cb -0.15 -2.26 -0.04 0.00 0.02 0.00 0.00 46.19 43.76 3a1q s LEU 67 CO -0.02 0.36 0.06 -1.00 0.02 0.00 0.00 176.35 175.76 3a1q s HIS 68 N -1.13 3.20 -0.09 0.29 3.76 0.45 -0.88 115.29 120.89 3a1q s HIS 68 Ca 0.19 -0.03 0.01 0.00 -0.15 0.00 0.00 55.06 55.08 3a1q s HIS 68 Cb -0.12 -2.10 -0.02 0.00 1.11 0.00 0.00 32.58 31.45 3a1q s HIS 68 CO 0.09 0.06 -0.11 -1.17 -0.85 0.00 0.00 174.74 172.76 3a1q s LEU 69 N 0.57 2.89 -0.05 0.89 2.96 0.21 -0.74 118.68 125.40 3a1q s LEU 69 Ca 0.03 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 3a1q s LEU 69 Cb -0.13 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 44.93 3a1q s LEU 69 CO 0.01 0.27 -0.15 0.54 -1.32 0.00 0.00 176.35 175.71 3a1q s VAL 70 N -0.29 1.26 -0.06 1.68 0.11 -0.73 -3.93 120.40 118.44 3a1q s VAL 70 Ca 0.03 -0.59 -0.20 0.00 -2.93 0.00 0.00 61.98 58.28 3a1q s VAL 70 Cb -0.13 -1.11 -0.05 0.00 -1.53 0.00 0.00 36.38 33.56 3a1q s VAL 70 CO 0.03 0.38 0.57 -0.76 -3.33 0.00 0.00 175.10 171.98 3a1q s LEU 71 N 0.32 4.34 0.60 2.54 2.01 -1.26 -2.04 118.68 125.19 3a1q s LEU 71 Ca -0.09 1.03 -0.15 0.00 0.01 0.00 0.00 54.13 54.93 3a1q s LEU 71 Cb -0.13 -2.86 -0.04 0.00 0.01 0.00 0.00 46.19 43.17 3a1q s LEU 71 CO 0.03 0.02 1.04 0.00 1.01 0.00 0.00 176.35 178.45 3a1q s ARG 72 N 0.33 3.38 -0.03 1.70 1.70 -0.76 -4.96 118.95 120.31 3a1q s ARG 72 Ca 0.30 1.10 0.20 0.00 -0.47 0.00 0.00 55.73 56.86 3a1q s ARG 72 Cb -0.17 -2.05 -0.23 0.00 -0.57 0.00 0.00 34.95 31.94 3a1q s ARG 72 CO 0.15 -0.75 0.51 1.28 -1.08 0.00 0.00 175.30 175.41 3a1q n LEU 73 N -2.16 0.30 -4.31 -1.89 4.77 -1.26 -4.97 117.00 107.48 3a1q n LEU 73 Ca 0.08 0.13 -0.18 0.00 -0.03 0.00 0.00 56.01 56.00 3a1q n LEU 73 Cb 0.53 0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.66 3a1q n LEU 73 CO 0.49 0.15 -0.45 -0.13 -1.33 0.00 0.00 177.39 176.12 3a1q s ARG 74 N -3.08 1.24 0.00 3.23 0.52 -1.26 -5.10 118.95 114.49 3a1q s ARG 74 Ca -0.06 -1.48 0.00 0.00 -0.52 0.00 0.00 55.73 53.66 3a1q s ARG 74 Cb 0.10 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 34.51 3a1q s ARG 74 CO 0.85 0.19 0.00 0.41 0.02 0.00 0.00 175.30 176.77 3a1q n GLY 75 N -0.09 0.00 0.00 -3.53 0.00 -1.26 -5.06 105.19 95.25 3a1q n GLY 75 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3a1q n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93