#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r h VAL 2 N 0.00 0.06 -3.68 1.08 2.07 -2.03 -3.27 116.25 110.48 1n8r h VAL 2 Ca 0.00 0.00 -0.65 0.00 0.82 0.00 0.00 66.70 66.87 1n8r h VAL 2 Cb 0.00 0.27 -0.39 0.00 -1.52 0.00 0.00 31.29 29.65 1n8r h VAL 2 CO 0.00 0.00 -0.76 -0.22 0.02 0.00 0.00 177.57 176.61 1n8r s LEU 3 N -5.95 3.75 0.59 2.57 2.96 -1.26 -5.12 118.68 116.22 1n8r s LEU 3 Ca -0.02 -1.71 -0.05 0.00 -0.22 0.00 0.00 54.13 52.13 1n8r s LEU 3 Cb 0.08 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.34 1n8r s LEU 3 CO 0.27 -0.30 0.89 -1.00 -1.32 0.00 0.00 176.35 174.89 1n8r s HIS 4 N 1.12 3.17 0.17 5.38 3.76 -1.24 -4.99 115.29 122.66 1n8r s HIS 4 Ca 0.02 0.53 -0.09 0.00 -0.15 0.00 0.00 55.06 55.37 1n8r s HIS 4 Cb -0.19 -2.77 0.04 0.00 1.11 0.00 0.00 32.58 30.77 1n8r s HIS 4 CO -0.08 -0.88 1.57 0.28 -0.85 0.00 0.00 174.74 174.78 1n8r h VAL 5 N -0.18 1.27 0.03 -0.90 2.07 -2.00 -2.75 116.25 113.80 1n8r h VAL 5 Ca -0.45 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 65.72 1n8r h VAL 5 Cb 1.27 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1n8r h VAL 5 CO 0.60 0.47 -0.13 1.56 0.02 0.00 0.00 177.57 180.09 1n8r h GLN 6 N 0.84 -0.23 -0.93 1.57 4.20 -1.98 -0.90 115.11 117.67 1n8r h GLN 6 Ca 0.11 0.02 0.17 0.00 0.06 0.00 0.00 58.65 59.01 1n8r h GLN 6 Cb 0.78 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.53 1n8r h GLN 6 CO 0.06 -0.15 0.59 0.93 -0.67 0.00 0.00 178.83 179.60 1n8r h GLU 7 N -0.24 0.63 -0.31 1.46 5.08 -1.95 0.15 114.58 119.39 1n8r h GLU 7 Ca 0.04 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1n8r h GLU 7 Cb 0.28 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1n8r h GLU 7 CO -0.11 0.41 -0.32 0.82 -1.00 0.00 0.00 179.01 178.82 1n8r h ILE 8 N 0.64 1.29 0.00 3.13 2.04 -1.09 -2.84 117.51 120.69 1n8r h ILE 8 Ca 0.49 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 1n8r h ILE 8 Cb 0.88 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1n8r h ILE 8 CO -0.24 0.48 -0.08 0.03 0.00 0.00 0.00 178.15 178.34 1n8r h ARG 9 N 0.52 0.00 -0.00 2.37 3.08 0.41 -2.25 114.38 118.51 1n8r h ARG 9 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1n8r h ARG 9 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1n8r h ARG 9 CO 0.08 0.08 -0.14 -0.25 -1.07 0.00 0.00 179.97 178.67 1n8r n ASP 10 N -3.27 0.48 -4.91 7.04 8.00 0.30 -4.85 116.55 119.34 1n8r n ASP 10 Ca -0.00 -0.49 -0.28 0.00 0.71 0.00 0.00 54.79 54.73 1n8r n ASP 10 Cb 0.30 -0.07 0.03 0.00 -0.02 0.00 0.00 41.12 41.36 1n8r n ASP 10 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1n8r s MET 11 N -2.55 2.96 0.25 -1.24 -1.94 -0.85 -5.07 119.30 110.85 1n8r s MET 11 Ca 0.26 0.14 -0.04 0.00 -1.71 0.00 0.00 55.69 54.35 1n8r s MET 11 Cb 0.20 -2.21 -0.05 0.00 2.01 0.00 0.00 34.83 34.78 1n8r s MET 11 CO 0.50 -0.75 0.49 -0.08 -0.01 0.00 0.00 175.02 175.17 1n8r s THR 12 N -3.07 5.09 0.45 2.05 -1.32 -1.26 -4.90 115.64 112.68 1n8r s THR 12 Ca 0.55 -0.07 0.30 0.00 -1.21 0.00 0.00 61.69 61.26 1n8r s THR 12 Cb -0.11 -3.72 0.50 0.00 -1.51 0.00 0.00 72.50 67.66 1n8r s THR 12 CO 0.47 -0.24 1.65 -0.65 -2.21 0.00 0.00 174.62 173.64 1n8r h PRO 13 N 1.89 0.11 0.00 7.08 0.11 -1.97 1.17 132.00 140.40 1n8r h PRO 13 Ca -0.48 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1n8r h PRO 13 Cb 1.19 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1n8r h PRO 13 CO 0.67 0.07 -0.55 0.00 -0.21 0.00 0.00 178.00 177.99 1n8r h ALA 14 N 1.54 1.03 0.00 -0.75 0.00 -1.92 -2.82 119.26 116.35 1n8r h ALA 14 Ca 0.78 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 1n8r h ALA 14 Cb 2.51 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 20.19 1n8r h ALA 14 CO -0.35 0.68 -0.86 0.93 0.00 0.00 0.00 179.25 179.66 1n8r h GLU 15 N 0.00 0.00 -0.13 0.00 5.08 0.10 -2.45 114.58 117.19 1n8r h GLU 15 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1n8r h GLU 15 Cb 1.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1n8r h GLU 15 CO 0.07 0.86 -0.15 0.00 -1.00 0.00 0.00 179.01 178.79 1n8r h ARG 16 N 0.00 0.33 -0.72 2.33 3.08 -1.29 0.29 114.38 118.41 1n8r h ARG 16 Ca -0.01 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 1n8r h ARG 16 Cb 1.63 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.65 1n8r h ARG 16 CO 0.11 0.74 0.36 0.93 -1.07 0.00 0.00 179.97 181.05 1n8r h GLU 17 N -0.07 1.01 -0.48 0.04 5.08 -1.52 1.53 114.58 120.16 1n8r h GLU 17 Ca 0.02 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1n8r h GLU 17 Cb 0.69 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1n8r h GLU 17 CO 0.04 0.76 -0.03 0.00 -1.00 0.00 0.00 179.01 178.78 1n8r h ALA 18 N 1.39 0.66 -0.31 3.43 0.00 -1.36 -0.23 119.26 122.83 1n8r h ALA 18 Ca 0.25 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1n8r h ALA 18 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1n8r h ALA 18 CO -0.04 0.49 -0.43 1.49 0.00 0.00 0.00 179.25 180.77 1n8r h GLU 19 N 0.73 0.78 0.79 0.00 4.57 -0.07 -2.15 114.58 119.24 1n8r h GLU 19 Ca 0.13 -0.42 -0.04 0.00 -1.18 0.00 0.00 59.36 57.85 1n8r h GLU 19 Cb 0.55 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1n8r h GLU 19 CO 0.03 1.05 -0.40 1.25 -1.18 0.00 0.00 179.01 179.76 1n8r h LEU 20 N 0.63 -0.96 -2.44 1.64 5.85 0.24 0.33 115.31 120.61 1n8r h LEU 20 Ca 0.04 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1n8r h LEU 20 Cb 0.99 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1n8r h LEU 20 CO 0.09 -0.66 0.00 0.44 -0.34 0.00 0.00 178.44 177.97 1n8r h ASP 21 N -1.09 0.00 0.10 1.25 3.32 -1.04 -1.19 116.42 117.77 1n8r h ASP 21 Ca -0.11 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.79 1n8r h ASP 21 Cb 0.84 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.40 1n8r h ASP 21 CO 0.16 0.00 -0.71 0.44 -1.72 0.00 0.00 179.24 177.42 1n8r h ASP 22 N 0.00 0.32 -0.42 6.45 3.32 -0.71 -3.11 116.42 122.29 1n8r h ASP 22 Ca 0.00 -0.94 -0.02 0.00 0.02 0.00 0.00 57.03 56.09 1n8r h ASP 22 Cb 0.03 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1n8r h ASP 22 CO 0.00 1.33 0.18 -0.07 -1.72 0.00 0.00 179.24 178.95 1n8r h LEU 23 N -0.54 0.57 -0.87 1.55 3.38 -0.14 -2.11 115.31 117.15 1n8r h LEU 23 Ca -0.14 -0.16 0.15 0.00 0.09 0.00 0.00 57.88 57.82 1n8r h LEU 23 Cb 1.49 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 42.00 1n8r h LEU 23 CO 0.09 0.57 0.46 0.11 0.09 0.00 0.00 178.44 179.76 1n8r h LYS 24 N 0.53 0.64 -0.39 1.13 1.57 -1.37 -0.21 116.57 118.47 1n8r h LYS 24 Ca 0.14 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1n8r h LYS 24 Cb 0.17 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1n8r h LYS 24 CO -0.01 0.42 0.02 1.15 -0.57 0.00 0.00 179.45 180.46 1n8r h THR 25 N 0.66 1.25 -0.73 -0.16 2.02 -1.37 0.34 112.91 114.93 1n8r h THR 25 Ca 0.47 -0.95 0.01 0.00 0.77 0.00 0.00 66.41 66.71 1n8r h THR 25 Cb 0.65 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 1n8r h THR 25 CO -0.35 0.32 0.48 -0.08 0.37 0.00 0.00 175.52 176.26 1n8r h GLU 26 N 0.51 0.94 0.33 6.66 4.81 -0.57 0.83 114.58 128.10 1n8r h GLU 26 Ca 0.11 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1n8r h GLU 26 Cb 0.44 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1n8r h GLU 26 CO 0.02 0.62 -0.18 1.25 -0.73 0.00 0.00 179.01 179.99 1n8r h LEU 27 N 0.97 -0.43 -0.66 1.64 5.85 -0.87 -0.21 115.31 121.59 1n8r h LEU 27 Ca 0.28 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.10 1n8r h LEU 27 Cb -0.08 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 1n8r h LEU 27 CO -0.07 -0.29 0.32 0.25 -0.34 0.00 0.00 178.44 178.30 1n8r h LEU 28 N -0.47 0.41 -1.63 2.25 5.85 -0.37 0.12 115.31 121.47 1n8r h LEU 28 Ca -0.04 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1n8r h LEU 28 Cb 0.38 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1n8r h LEU 28 CO 0.05 0.25 -0.12 0.78 -0.34 0.00 0.00 178.44 179.06 1n8r h ASN 29 N 0.56 0.00 0.12 1.25 2.35 -0.56 -1.63 115.58 117.68 1n8r h ASN 29 Ca 0.32 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 1n8r h ASN 29 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1n8r h ASN 29 CO -0.25 0.12 -0.06 0.00 -1.65 0.00 0.00 177.43 175.59 1n8r h ALA 30 N 1.88 -0.16 -0.95 -0.83 0.00 0.10 -2.44 119.26 116.85 1n8r h ALA 30 Ca -0.00 -0.25 0.19 0.00 0.00 0.00 0.00 54.91 54.85 1n8r h ALA 30 Cb 0.49 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1n8r h ALA 30 CO 0.02 -0.26 0.61 0.00 0.00 0.00 0.00 179.25 179.62 1n8r h ARG 31 N -0.84 0.57 0.14 0.00 3.08 -0.78 0.52 114.38 117.08 1n8r h ARG 31 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1n8r h ARG 31 Cb 0.55 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1n8r h ARG 31 CO 0.03 0.38 -0.07 0.00 -1.07 0.00 0.00 179.97 179.24 1n8r h ALA 32 N 1.62 -0.19 -0.65 0.04 0.00 -1.31 0.99 119.26 119.75 1n8r h ALA 32 Ca 0.52 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.36 1n8r h ALA 32 Cb 1.02 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1n8r h ALA 32 CO -0.26 -0.51 0.43 0.28 0.00 0.00 0.00 179.25 179.19 1n8r h VAL 33 N -0.39 1.04 -0.14 0.00 2.07 -0.55 -0.36 116.25 117.92 1n8r h VAL 33 Ca -0.02 -0.24 -0.20 0.00 0.82 0.00 0.00 66.70 67.06 1n8r h VAL 33 Cb 0.31 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1n8r h VAL 33 CO 0.03 0.13 -0.70 -0.61 0.02 0.00 0.00 177.57 176.44 1n8r h GLN 34 N 0.70 0.72 0.00 1.57 4.15 0.52 0.21 115.11 122.98 1n8r h GLN 34 Ca 0.28 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1n8r h GLN 34 Cb 0.20 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1n8r h GLN 34 CO -0.08 1.20 0.00 0.00 -1.93 0.00 0.00 178.83 178.02 1n8r h ALA 35 N 0.52 1.00 -0.70 3.38 0.00 0.24 -1.33 119.26 122.38 1n8r h ALA 35 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 1n8r h ALA 35 Cb 1.34 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.95 1n8r h ALA 35 CO 0.14 0.00 0.30 0.00 0.00 0.00 0.00 179.25 179.70 1n8r n ALA 36 N -1.96 4.73 -1.17 0.00 0.00 -0.28 -4.89 120.51 116.94 1n8r n ALA 36 Ca -0.01 -2.71 -0.09 0.00 0.00 0.00 0.00 53.44 50.63 1n8r n ALA 36 Cb 0.14 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 1n8r n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8r n GLY 37 N -0.73 0.88 3.68 0.00 0.00 -0.50 -4.86 105.19 103.66 1n8r n GLY 37 Ca 0.44 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 46.01 1n8r n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 38 N 0.14 1.35 0.08 -0.02 0.00 0.73 -4.90 105.19 102.57 1n8r n GLY 38 Ca -0.09 0.70 0.11 0.00 0.00 0.00 0.00 46.02 46.75 1n8r n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r n ALA 39 N 4.58 2.75 0.12 4.61 0.00 -1.26 -4.34 120.51 126.96 1n8r n ALA 39 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1n8r n ALA 39 Cb 0.31 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1n8r n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1n8r n PRO 40 N -2.44 0.12 -0.93 0.00 -0.04 -1.26 -4.76 135.00 125.69 1n8r n PRO 40 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.17 1n8r n PRO 40 Cb 0.52 -1.29 0.24 0.00 -0.04 0.00 0.00 33.50 32.93 1n8r n PRO 40 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1n8r s GLU 41 N 0.13 -1.13 -0.43 0.54 2.02 -1.26 -5.04 118.70 113.54 1n8r s GLU 41 Ca 0.00 0.18 0.06 0.00 0.02 0.00 0.00 54.97 55.23 1n8r s GLU 41 Cb 0.00 -1.58 0.32 0.00 0.10 0.00 0.00 34.13 32.97 1n8r s GLU 41 CO 0.00 -3.70 1.19 0.09 0.02 0.00 0.00 175.26 172.86 1n8r n ASN 42 N -4.80 -2.08 -0.00 -0.19 3.02 -1.26 -5.05 115.26 104.89 1n8r n ASN 42 Ca 0.10 -3.22 0.00 0.00 -0.03 0.00 0.00 54.58 51.43 1n8r n ASN 42 Cb 0.59 1.70 0.01 0.00 -0.61 0.00 0.00 39.78 41.46 1n8r n ASN 42 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1n8r n PRO 43 N 0.28 -0.00 0.29 3.52 -0.02 -1.26 0.23 135.00 138.03 1n8r n PRO 43 Ca 0.02 0.01 0.13 0.00 -2.02 0.00 0.00 63.50 61.65 1n8r n PRO 43 Cb 0.72 -0.02 0.84 0.00 -0.02 0.00 0.00 33.50 35.02 1n8r n PRO 43 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1n8r h GLY 44 N 0.00 0.00 0.41 -1.23 0.00 -2.00 -3.04 103.07 97.20 1n8r h GLY 44 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.05 1n8r h GLY 44 CO -0.00 0.00 -1.52 3.21 0.00 0.00 0.00 176.54 178.23 1n8r h ARG 45 N 0.00 0.18 -0.12 4.80 3.08 -0.65 -2.75 114.38 118.92 1n8r h ARG 45 Ca -0.00 -0.30 0.03 0.00 0.07 0.00 0.00 59.98 59.78 1n8r h ARG 45 Cb 0.00 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1n8r h ARG 45 CO 0.00 1.14 0.26 0.97 -1.07 0.00 0.00 179.97 181.27 1n8r h ILE 46 N -0.40 0.20 0.17 2.04 2.10 -1.71 0.77 117.51 120.67 1n8r h ILE 46 Ca -0.35 0.00 -0.28 0.00 1.08 0.00 0.00 64.86 65.31 1n8r h ILE 46 Cb 1.70 0.77 0.02 0.00 -1.09 0.00 0.00 36.82 38.21 1n8r h ILE 46 CO -0.01 0.00 -1.35 0.50 -1.08 0.00 0.00 178.15 176.21 1n8r h LYS 47 N 0.00 0.37 -0.50 2.19 3.64 -1.62 -3.29 116.57 117.35 1n8r h LYS 47 Ca 0.06 -0.63 -0.07 0.00 -1.27 0.00 0.00 60.65 58.74 1n8r h LYS 47 Cb 0.57 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1n8r h LYS 47 CO -0.00 1.30 0.05 0.93 -2.27 0.00 0.00 179.45 179.46 1n8r h GLU 48 N -0.12 0.85 -1.00 1.90 4.39 -0.00 -2.65 114.58 117.95 1n8r h GLU 48 Ca -0.26 -0.25 0.20 0.00 0.34 0.00 0.00 59.36 59.40 1n8r h GLU 48 Cb 1.91 -0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 30.36 1n8r h GLU 48 CO 0.16 0.86 0.61 -0.07 -1.16 0.00 0.00 179.01 179.41 1n8r h LEU 49 N 0.72 0.76 -0.18 1.33 3.38 0.18 0.57 115.31 122.07 1n8r h LEU 49 Ca 0.15 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 1n8r h LEU 49 Cb 0.44 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1n8r h LEU 49 CO 0.02 0.24 -0.09 0.03 0.09 0.00 0.00 178.44 178.73 1n8r h ARG 50 N 0.72 0.37 -0.62 1.13 3.08 -1.55 -2.32 114.38 115.19 1n8r h ARG 50 Ca 0.59 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.42 1n8r h ARG 50 Cb 0.97 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 1n8r h ARG 50 CO -0.40 0.68 0.17 0.87 -1.07 0.00 0.00 179.97 180.22 1n8r h LYS 51 N 0.06 0.99 -0.20 0.04 1.57 -0.67 -1.82 116.57 116.53 1n8r h LYS 51 Ca 0.04 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1n8r h LYS 51 Cb 0.56 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1n8r h LYS 51 CO 0.03 0.89 0.04 0.00 -0.57 0.00 0.00 179.45 179.83 1n8r h ALA 52 N 1.06 0.20 -0.95 3.86 0.00 0.06 0.26 119.26 123.75 1n8r h ALA 52 Ca 0.20 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1n8r h ALA 52 Cb 0.33 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1n8r h ALA 52 CO -0.00 -0.39 0.62 0.82 0.00 0.00 0.00 179.25 180.29 1n8r h ILE 53 N 0.12 1.12 0.17 0.00 2.04 -1.28 -1.09 117.51 118.59 1n8r h ILE 53 Ca 0.09 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1n8r h ILE 53 Cb 0.09 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.03 1n8r h ILE 53 CO -0.12 0.21 -0.08 0.00 0.00 0.00 0.00 178.15 178.16 1n8r h ALA 54 N 1.41 -0.23 -0.16 1.87 0.00 -0.44 -1.22 119.26 120.49 1n8r h ALA 54 Ca 0.39 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.29 1n8r h ALA 54 Cb 0.08 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1n8r h ALA 54 CO -0.15 -0.62 -0.28 0.00 0.00 0.00 0.00 179.25 178.21 1n8r h ARG 55 N -0.26 -0.33 -0.10 0.00 3.08 -0.10 0.35 114.38 117.03 1n8r h ARG 55 Ca -0.02 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1n8r h ARG 55 Cb 0.20 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 1n8r h ARG 55 CO 0.04 -0.22 -0.19 0.82 -1.07 0.00 0.00 179.97 179.36 1n8r h ILE 56 N -0.34 0.53 -0.84 2.04 2.04 -1.16 0.30 117.51 120.08 1n8r h ILE 56 Ca 0.11 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.07 1n8r h ILE 56 Cb 0.50 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 1n8r h ILE 56 CO -0.35 0.00 0.48 0.11 0.00 0.00 0.00 178.15 178.39 1n8r h LYS 57 N -0.25 0.77 -0.54 2.37 1.57 -0.40 0.18 116.57 120.26 1n8r h LYS 57 Ca 0.09 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1n8r h LYS 57 Cb 0.38 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1n8r h LYS 57 CO -0.24 0.51 0.32 1.15 -0.57 0.00 0.00 179.45 180.61 1n8r h THR 58 N 0.79 1.17 -0.07 -0.16 2.02 0.14 -2.12 112.91 114.67 1n8r h THR 58 Ca 0.41 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1n8r h THR 58 Cb 0.40 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1n8r h THR 58 CO -0.26 0.18 0.02 0.40 0.37 0.00 0.00 175.52 176.23 1n8r h ILE 59 N 0.73 1.19 -1.02 3.11 1.08 0.61 -1.36 117.51 121.85 1n8r h ILE 59 Ca 0.19 -0.57 0.24 0.00 -0.39 0.00 0.00 64.86 64.34 1n8r h ILE 59 Cb 0.01 1.44 -0.10 0.00 -3.07 0.00 0.00 36.82 35.09 1n8r h ILE 59 CO -0.03 0.16 0.64 1.56 -0.69 0.00 0.00 178.15 179.78 1n8r h GLN 60 N -0.10 0.49 0.13 2.37 4.20 -0.51 0.17 115.11 121.86 1n8r h GLN 60 Ca 0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1n8r h GLN 60 Cb 0.24 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1n8r h GLN 60 CO 0.00 0.32 -0.06 0.78 -0.67 0.00 0.00 178.83 179.20 1n8r h GLY 61 N 0.50 -0.18 0.59 3.46 0.00 -0.93 0.55 103.07 107.06 1n8r h GLY 61 Ca 0.60 0.07 0.07 0.00 0.00 0.00 0.00 47.33 48.07 1n8r h GLY 61 CO -0.35 -0.07 0.30 0.83 0.00 0.00 0.00 176.54 177.26 1n8r h GLU 62 N -0.60 0.54 0.00 4.80 5.08 0.29 -2.70 114.58 122.00 1n8r h GLU 62 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1n8r h GLU 62 Cb 0.46 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1n8r h GLU 62 CO 0.03 0.36 0.00 0.93 -1.00 0.00 0.00 179.01 179.33 1n8r h GLU 63 N 0.56 0.00 0.00 2.33 4.39 -0.85 -3.47 114.58 117.54 1n8r h GLU 63 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1n8r h GLU 63 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1n8r h GLU 63 CO -0.22 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.04 1n8r n GLY 64 N 0.89 0.86 0.00 -3.84 0.00 -0.91 -5.09 105.19 97.11 1n8r n GLY 64 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1n8r n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54