#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3g n THR 2 N 0.00 0.00 -2.81 2.03 -1.04 -1.03 -4.98 114.28 106.45 1n3g n THR 2 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1n3g n THR 2 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 1n3g n THR 2 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1n3g n MET 3 N -0.62 0.62 -3.95 -2.82 0.00 -1.26 -4.64 117.12 104.46 1n3g n MET 3 Ca 0.00 -2.04 -0.36 0.00 -0.00 0.00 0.00 57.70 55.30 1n3g n MET 3 Cb 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 33.22 31.69 1n3g n MET 3 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1n3g s ASN 4 N -0.31 6.23 -0.35 6.12 0.02 -0.79 -5.07 114.94 120.79 1n3g s ASN 4 Ca 0.31 0.41 0.04 0.00 -1.02 0.00 0.00 52.86 52.59 1n3g s ASN 4 Cb 0.10 -1.98 0.16 0.00 0.02 0.00 0.00 41.25 39.56 1n3g s ASN 4 CO -0.14 0.38 0.43 -0.63 0.02 0.00 0.00 177.10 177.16 1n3g s ILE 5 N -1.05 -0.56 -0.53 0.60 1.01 -1.26 -1.59 121.20 117.82 1n3g s ILE 5 Ca 0.16 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 1n3g s ILE 5 Cb -0.12 -0.67 0.14 0.00 0.01 0.00 0.00 42.46 41.82 1n3g s ILE 5 CO 0.06 -0.37 0.39 -0.89 0.00 0.00 0.00 174.94 174.13 1n3g s THR 6 N 1.92 4.14 0.15 2.92 2.01 -0.03 -4.94 115.64 121.80 1n3g s THR 6 Ca 0.14 -2.12 -0.08 0.00 0.31 0.00 0.00 61.69 59.94 1n3g s THR 6 Cb -0.12 -3.71 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 1n3g s THR 6 CO -0.14 -0.81 0.44 -0.44 -0.69 0.00 0.00 174.62 172.97 1n3g s SER 7 N 2.13 6.58 -0.27 3.53 0.01 -1.26 -4.29 113.70 120.13 1n3g s SER 7 Ca 0.09 0.75 -0.24 0.00 1.31 0.00 0.00 55.95 57.87 1n3g s SER 7 Cb -0.23 -2.16 -0.00 0.00 0.21 0.00 0.00 66.02 63.84 1n3g s SER 7 CO -0.03 0.05 0.80 -0.54 0.41 0.00 0.00 173.24 173.94 1n3g s LYS 8 N -2.47 4.10 0.00 12.44 1.02 -1.26 -4.65 119.74 128.93 1n3g s LYS 8 Ca 0.40 0.78 0.00 0.00 0.02 0.00 0.00 55.97 57.18 1n3g s LYS 8 Cb -0.12 -3.67 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 1n3g s LYS 8 CO 0.22 -0.57 0.00 1.04 -0.92 0.00 0.00 175.35 175.12 1n3g n GLN 9 N 6.06 0.00 -1.79 1.68 6.02 -1.26 -3.96 117.38 124.12 1n3g n GLN 9 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.61 1n3g n GLN 9 Cb 0.48 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.71 1n3g n GLN 9 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1n3g s MET 10 N 0.00 4.16 0.70 -1.09 0.00 -1.26 -4.98 119.30 116.83 1n3g s MET 10 Ca 0.00 2.49 -0.11 0.00 0.00 0.00 0.00 55.69 58.06 1n3g s MET 10 Cb 0.00 -3.73 0.01 0.00 0.00 0.00 0.00 34.83 31.11 1n3g s MET 10 CO 0.00 -0.83 1.08 -1.21 0.00 0.00 0.00 175.02 174.06 1n3g s GLU 11 N 3.14 2.90 -0.64 4.11 0.41 -1.26 -4.63 118.70 122.73 1n3g s GLU 11 Ca 0.80 0.55 -0.28 0.00 -0.41 0.00 0.00 54.97 55.64 1n3g s GLU 11 Cb -0.42 -2.02 0.02 0.00 -1.78 0.00 0.00 34.13 29.93 1n3g s GLU 11 CO 0.36 -1.03 1.33 0.42 -0.49 0.00 0.00 175.26 175.85 1n3g s ILE 12 N -3.29 3.79 0.61 -1.63 -1.09 -1.26 -5.00 121.20 113.33 1n3g s ILE 12 Ca 0.58 0.60 -0.15 0.00 -2.23 0.00 0.00 60.65 59.45 1n3g s ILE 12 Cb -0.12 -4.67 -0.03 0.00 -1.58 0.00 0.00 42.46 36.06 1n3g s ILE 12 CO 0.53 -1.47 1.06 0.42 -1.23 0.00 0.00 174.94 174.24 1n3g s THR 13 N 5.84 3.85 0.37 2.92 -4.23 -1.26 -4.73 115.64 118.40 1n3g s THR 13 Ca 0.44 0.82 0.13 0.00 -1.18 0.00 0.00 61.69 61.90 1n3g s THR 13 Cb -0.09 -3.38 0.35 0.00 1.34 0.00 0.00 72.50 70.72 1n3g s THR 13 CO 0.21 -0.57 1.82 1.55 -0.54 0.00 0.00 174.62 177.09 1n3g h PRO 14 N 0.22 0.54 -0.23 3.99 0.13 -1.98 0.32 132.00 134.99 1n3g h PRO 14 Ca -0.46 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 1n3g h PRO 14 Cb 1.22 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1n3g h PRO 14 CO 0.57 0.35 -0.13 0.00 -0.23 0.00 0.00 178.00 178.56 1n3g h ALA 15 N 1.62 0.33 -0.05 -0.56 0.00 -1.99 -2.03 119.26 116.58 1n3g h ALA 15 Ca 0.52 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1n3g h ALA 15 Cb 1.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1n3g h ALA 15 CO -0.26 0.20 -0.03 0.82 0.00 0.00 0.00 179.25 179.98 1n3g h ILE 16 N 0.21 1.34 -0.28 0.00 2.04 -1.54 -2.63 117.51 116.65 1n3g h ILE 16 Ca 0.05 -1.07 0.06 0.00 1.00 0.00 0.00 64.86 64.90 1n3g h ILE 16 Cb 0.64 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1n3g h ILE 16 CO 0.04 0.29 0.20 0.08 0.00 0.00 0.00 178.15 178.76 1n3g h ARG 17 N -0.30 0.11 -0.13 2.37 -0.00 -0.48 -1.94 114.38 114.01 1n3g h ARG 17 Ca 0.01 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.98 59.93 1n3g h ARG 17 Cb 0.48 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 30.43 1n3g h ARG 17 CO 0.01 0.07 -0.13 1.96 -0.00 0.00 0.00 179.97 181.87 1n3g h GLN 18 N 0.11 0.32 0.06 0.08 1.08 -1.24 -1.13 115.11 114.39 1n3g h GLN 18 Ca 0.13 -0.17 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1n3g h GLN 18 Cb 0.38 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 1n3g h GLN 18 CO -0.01 0.72 -0.13 0.45 -0.95 0.00 0.00 178.83 178.91 1n3g h HIS 19 N -0.06 -0.33 -0.70 2.96 3.86 -1.00 0.70 115.15 120.58 1n3g h HIS 19 Ca 0.02 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1n3g h HIS 19 Cb 0.66 0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.24 1n3g h HIS 19 CO 0.09 -0.19 0.32 0.28 0.86 0.00 0.00 177.93 179.28 1n3g h VAL 20 N -0.25 1.23 -0.77 2.45 2.07 -1.47 -0.38 116.25 119.13 1n3g h VAL 20 Ca 0.03 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 1n3g h VAL 20 Cb 0.27 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1n3g h VAL 20 CO -0.09 0.28 0.29 0.00 0.02 0.00 0.00 177.57 178.07 1n3g h ALA 21 N 1.35 1.00 -0.15 1.67 0.00 -0.69 0.11 119.26 122.54 1n3g h ALA 21 Ca 0.24 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1n3g h ALA 21 Cb 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1n3g h ALA 21 CO -0.03 0.64 -0.18 0.22 0.00 0.00 0.00 179.25 179.90 1n3g h ASP 22 N 1.12 0.43 -0.41 0.00 1.82 -0.41 -1.51 116.42 117.46 1n3g h ASP 22 Ca 0.25 -0.50 -0.01 0.00 -0.39 0.00 0.00 57.03 56.39 1n3g h ASP 22 Cb 0.24 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 1n3g h ASP 22 CO -0.02 0.84 0.22 -0.09 -1.61 0.00 0.00 179.24 178.58 1n3g h ARG 23 N 0.02 0.57 -0.20 0.28 2.43 -0.94 -2.25 114.38 114.30 1n3g h ARG 23 Ca 0.02 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1n3g h ARG 23 Cb 0.73 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1n3g h ARG 23 CO 0.04 0.47 -0.12 1.25 -1.51 0.00 0.00 179.97 180.11 1n3g h LEU 24 N 0.52 0.29 0.83 3.80 5.85 -0.80 -1.44 115.31 124.37 1n3g h LEU 24 Ca 0.14 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1n3g h LEU 24 Cb 0.07 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.03 1n3g h LEU 24 CO -0.02 0.44 -0.40 0.00 -0.34 0.00 0.00 178.44 178.12 1n3g h ALA 25 N 1.59 -1.20 -0.03 1.25 0.00 -0.73 -2.89 119.26 117.25 1n3g h ALA 25 Ca 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1n3g h ALA 25 Cb 0.39 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1n3g h ALA 25 CO 0.02 -1.11 0.03 0.87 0.00 0.00 0.00 179.25 179.05 1n3g h LYS 26 N -1.21 0.00 -0.05 0.00 1.57 -1.39 -0.75 116.57 114.74 1n3g h LYS 26 Ca -0.11 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1n3g h LYS 26 Cb 0.85 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1n3g h LYS 26 CO 0.19 0.00 0.13 1.25 -0.57 0.00 0.00 179.45 180.45 1n3g h LEU 27 N 0.00 0.00 -2.94 2.94 6.46 -1.04 -0.24 115.31 120.48 1n3g h LEU 27 Ca 0.02 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1n3g h LEU 27 Cb 0.07 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1n3g h LEU 27 CO -0.00 0.00 -0.00 -0.33 -0.62 0.00 0.00 178.44 177.49 1n3g h GLU 28 N 0.00 0.00 -0.64 1.25 5.08 -1.08 0.60 114.58 119.79 1n3g h GLU 28 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1n3g h GLU 28 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1n3g h GLU 28 CO -0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 1n3g n LYS 29 N -3.10 3.19 -0.83 2.33 5.02 -0.10 -4.19 118.16 120.48 1n3g n LYS 29 Ca -0.03 -2.44 0.00 0.00 -2.02 0.00 0.00 58.31 53.83 1n3g n LYS 29 Cb 0.08 -1.75 0.31 0.00 -0.02 0.00 0.00 35.03 33.64 1n3g n LYS 29 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1n3g n TRP 30 N 1.04 1.97 -1.38 2.13 7.02 0.20 -4.90 117.44 123.52 1n3g n TRP 30 Ca 0.22 -0.84 -0.03 0.00 -1.02 0.00 0.00 57.50 55.84 1n3g n TRP 30 Cb 0.74 -0.54 -0.01 0.00 -2.42 0.00 0.00 31.31 29.08 1n3g n TRP 30 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1n3g n GLN 31 N 0.23 -1.44 -0.12 -0.99 -0.06 -1.26 -4.70 117.38 109.04 1n3g n GLN 31 Ca 0.30 0.15 0.11 0.00 -2.00 0.00 0.00 57.00 55.56 1n3g n GLN 31 Cb 1.16 -4.30 0.27 0.00 -4.06 0.00 0.00 30.24 23.31 1n3g n GLN 31 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1n3g n THR 32 N -1.50 0.33 0.00 1.69 -2.24 -1.26 -4.87 114.28 106.42 1n3g n THR 32 Ca -0.03 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1n3g n THR 32 Cb 0.18 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1n3g n THR 32 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1n3g n HIS 33 N 1.03 0.00 -1.42 4.78 8.25 -1.26 -3.63 115.22 122.97 1n3g n HIS 33 Ca 0.18 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1n3g n HIS 33 Cb 0.50 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.61 1n3g n HIS 33 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1n3g n LEU 34 N 0.00 -2.95 -0.04 2.41 7.99 -1.26 -4.68 117.00 118.47 1n3g n LEU 34 Ca 0.00 0.57 -0.05 0.00 -0.01 0.00 0.00 56.01 56.51 1n3g n LEU 34 Cb 0.00 -1.48 -0.02 0.00 -0.11 0.00 0.00 43.42 41.81 1n3g n LEU 34 CO 0.00 -0.69 -0.41 -0.38 -1.51 0.00 0.00 177.39 174.40 1n3g n ILE 35 N 0.38 1.28 -3.65 -0.08 2.08 -0.99 0.12 119.36 118.50 1n3g n ILE 35 Ca -0.03 0.24 -0.37 0.00 0.56 0.00 0.00 62.75 63.15 1n3g n ILE 35 Cb 0.04 -2.02 -0.08 0.00 -0.75 0.00 0.00 39.64 36.84 1n3g n ILE 35 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1n3g s ASN 36 N -5.78 5.69 -0.89 4.38 2.47 -1.26 0.12 114.94 119.66 1n3g s ASN 36 Ca -0.17 -3.20 -0.24 0.00 0.42 0.00 0.00 52.86 49.67 1n3g s ASN 36 Cb 0.02 -1.91 0.05 0.00 -1.45 0.00 0.00 41.25 37.97 1n3g s ASN 36 CO 0.26 -0.31 1.32 -2.16 -3.72 0.00 0.00 177.10 172.49 1n3g s PRO 37 N -0.57 3.42 -0.21 0.43 0.04 -1.26 -3.07 135.00 133.79 1n3g s PRO 37 Ca 0.21 -0.88 -0.10 0.00 0.04 0.00 0.00 61.00 60.27 1n3g s PRO 37 Cb -0.14 -4.84 -0.05 0.00 0.04 0.00 0.00 34.50 29.50 1n3g s PRO 37 CO -0.07 -2.11 0.15 -1.58 0.04 0.00 0.00 177.00 173.42 1n3g s HIS 38 N 4.91 3.39 -0.18 0.56 2.46 0.07 -1.89 115.29 124.62 1n3g s HIS 38 Ca 0.39 0.32 0.01 0.00 0.47 0.00 0.00 55.06 56.25 1n3g s HIS 38 Cb -0.04 -2.20 0.03 0.00 -0.13 0.00 0.00 32.58 30.24 1n3g s HIS 38 CO -0.00 0.23 -0.12 0.42 -2.47 0.00 0.00 174.74 172.79 1n3g s ILE 39 N 0.55 1.63 -0.71 0.89 -1.09 -0.62 0.95 121.20 122.80 1n3g s ILE 39 Ca 0.08 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.67 1n3g s ILE 39 Cb -0.12 -1.62 0.18 0.00 -1.58 0.00 0.00 42.46 39.32 1n3g s ILE 39 CO 0.00 0.31 0.53 -0.63 -1.23 0.00 0.00 174.94 173.93 1n3g s ILE 40 N 1.43 3.55 -0.55 2.92 1.01 0.28 -0.85 121.20 129.00 1n3g s ILE 40 Ca 0.02 -3.61 -0.16 0.00 0.00 0.00 0.00 60.65 56.89 1n3g s ILE 40 Cb -0.15 -3.30 0.13 0.00 0.01 0.00 0.00 42.46 39.16 1n3g s ILE 40 CO -0.10 -0.96 0.52 -0.22 0.00 0.00 0.00 174.94 174.19 1n3g s LEU 41 N -0.83 6.10 0.23 2.97 0.20 -1.26 0.83 118.68 126.91 1n3g s LEU 41 Ca 0.22 -1.75 0.07 0.00 0.69 0.00 0.00 54.13 53.36 1n3g s LEU 41 Cb -0.13 -2.22 -0.04 0.00 -0.43 0.00 0.00 46.19 43.37 1n3g s LEU 41 CO -0.09 -0.89 0.13 -0.44 -0.29 0.00 0.00 176.35 174.78 1n3g s SER 42 N 3.60 5.29 -0.43 3.68 0.01 -0.98 -4.16 113.70 120.71 1n3g s SER 42 Ca 0.04 -0.30 -0.13 0.00 1.31 0.00 0.00 55.95 56.87 1n3g s SER 42 Cb -0.29 -1.29 0.06 0.00 0.21 0.00 0.00 66.02 64.71 1n3g s SER 42 CO 0.03 0.01 0.31 -0.75 0.41 0.00 0.00 173.24 173.25 1n3g s LYS 43 N -3.55 2.86 -0.06 12.44 2.20 -1.25 -0.87 119.74 131.50 1n3g s LYS 43 Ca 0.32 -1.27 -0.04 0.00 -0.36 0.00 0.00 55.97 54.62 1n3g s LYS 43 Cb -0.08 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.25 1n3g s LYS 43 CO 0.23 -0.90 0.13 -1.21 -0.36 0.00 0.00 175.35 173.24 1n3g s GLU 44 N 1.58 3.32 0.22 4.03 2.02 -0.45 -4.89 118.70 124.52 1n3g s GLU 44 Ca 0.03 -0.29 -0.17 0.00 0.02 0.00 0.00 54.97 54.56 1n3g s GLU 44 Cb -0.22 -3.05 0.22 0.00 0.10 0.00 0.00 34.13 31.18 1n3g s GLU 44 CO 0.06 0.71 1.49 -2.30 0.02 0.00 0.00 175.26 175.24 1n3g n PRO 45 N 1.52 -0.23 -2.00 0.39 -0.01 -1.26 -1.19 135.00 132.22 1n3g n PRO 45 Ca -0.16 1.48 -0.39 0.00 -0.01 0.00 0.00 63.50 64.42 1n3g n PRO 45 Cb 0.54 -2.19 0.04 0.00 -0.01 0.00 0.00 33.50 31.87 1n3g n PRO 45 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 175.50 176.43 1n3g n GLN 46 N -5.41 2.93 0.00 -0.52 -0.06 -1.26 -4.99 117.38 108.08 1n3g n GLN 46 Ca 0.10 -3.65 0.00 0.00 -2.00 0.00 0.00 57.00 51.44 1n3g n GLN 46 Cb 0.38 -2.28 0.00 0.00 -4.06 0.00 0.00 30.24 24.28 1n3g n GLN 46 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1n3g n GLY 47 N -0.51 3.42 3.77 1.69 0.00 -0.33 -4.70 105.19 108.53 1n3g n GLY 47 Ca 0.52 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 1n3g n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n3g s PHE 48 N -2.80 3.87 -0.93 1.61 0.40 -0.31 -1.34 117.98 118.47 1n3g s PHE 48 Ca 0.00 1.57 -0.07 0.00 -0.60 0.00 0.00 56.93 57.84 1n3g s PHE 48 Cb 0.00 -2.75 0.23 0.00 0.51 0.00 0.00 43.02 41.01 1n3g s PHE 48 CO 0.00 0.48 0.86 0.08 0.70 0.00 0.00 175.22 177.34 1n3g s VAL 49 N -0.94 5.11 -0.91 -0.44 1.01 -0.05 -2.58 120.40 121.60 1n3g s VAL 49 Ca 0.36 -3.37 -0.24 0.00 0.00 0.00 0.00 61.98 58.73 1n3g s VAL 49 Cb -0.22 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.05 1n3g s VAL 49 CO 0.25 -1.09 1.49 0.00 0.00 0.00 0.00 175.10 175.75 1n3g s ALA 50 N -0.92 2.56 -0.72 5.51 0.00 -0.74 -2.32 121.76 125.13 1n3g s ALA 50 Ca 0.26 -1.84 -0.12 0.00 0.00 0.00 0.00 51.96 50.25 1n3g s ALA 50 Cb -0.10 -4.45 0.19 0.00 0.00 0.00 0.00 23.12 18.76 1n3g s ALA 50 CO -0.09 -3.70 0.64 -0.51 0.00 0.00 0.00 175.76 172.10 1n3g s ASP 51 N 5.22 6.35 -0.15 0.00 1.11 0.24 0.83 116.67 130.27 1n3g s ASP 51 Ca 0.47 -2.52 -0.07 0.00 0.18 0.00 0.00 52.55 50.61 1n3g s ASP 51 Cb -0.04 -2.14 -0.04 0.00 1.07 0.00 0.00 42.92 41.77 1n3g s ASP 51 CO -0.01 -0.59 0.11 0.00 1.18 0.00 0.00 175.17 175.86 1n3g s ALA 52 N 0.43 3.67 -0.30 5.23 0.00 0.23 0.10 121.76 131.13 1n3g s ALA 52 Ca 0.15 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1n3g s ALA 52 Cb -0.16 -1.97 0.09 0.00 0.00 0.00 0.00 23.12 21.08 1n3g s ALA 52 CO -0.06 0.40 0.07 0.95 0.00 0.00 0.00 175.76 177.12 1n3g s THR 53 N -0.33 1.20 -0.12 0.00 -4.23 0.27 0.11 115.64 112.54 1n3g s THR 53 Ca 0.10 -1.54 -0.03 0.00 -1.18 0.00 0.00 61.69 59.04 1n3g s THR 53 Cb -0.12 -1.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 1n3g s THR 53 CO 0.01 -0.59 0.01 -0.63 -0.54 0.00 0.00 174.62 172.88 1n3g s ILE 54 N 1.46 4.35 -0.80 2.99 1.01 -0.30 -0.75 121.20 129.17 1n3g s ILE 54 Ca 0.08 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 1n3g s ILE 54 Cb -0.18 -2.87 0.20 0.00 0.01 0.00 0.00 42.46 39.62 1n3g s ILE 54 CO -0.19 0.55 0.77 0.21 0.00 0.00 0.00 174.94 176.28 1n3g s ASN 55 N -0.38 6.67 0.35 3.58 3.04 -1.17 0.78 114.94 127.80 1n3g s ASN 55 Ca 0.08 -2.48 -0.01 0.00 0.04 0.00 0.00 52.86 50.48 1n3g s ASN 55 Cb -0.12 -2.23 -0.04 0.00 -1.54 0.00 0.00 41.25 37.32 1n3g s ASN 55 CO 0.02 -0.67 0.57 0.42 -3.04 0.00 0.00 177.10 174.40 1n3g s THR 56 N 0.66 5.07 0.47 -5.21 -4.23 0.76 -2.35 115.64 110.81 1n3g s THR 56 Ca 0.17 -0.28 0.37 0.00 -1.18 0.00 0.00 61.69 60.78 1n3g s THR 56 Cb -0.12 -3.83 0.39 0.00 1.34 0.00 0.00 72.50 70.27 1n3g s THR 56 CO -0.07 -0.54 2.20 1.55 -0.54 0.00 0.00 174.62 177.23 1n3g h PRO 57 N 0.91 0.00 -0.64 3.99 0.13 -1.90 -1.01 132.00 133.49 1n3g h PRO 57 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1n3g h PRO 57 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1n3g h PRO 57 CO 0.63 0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.51 1n3g n ASN 58 N -3.29 4.16 0.00 1.44 4.13 -1.25 -2.12 115.26 118.33 1n3g n ASN 58 Ca -0.02 -2.45 0.00 0.00 1.68 0.00 0.00 54.58 53.79 1n3g n ASN 58 Cb 0.17 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.86 1n3g n ASN 58 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n3g n GLY 59 N 0.87 0.49 3.50 7.41 0.00 -0.38 -4.68 105.19 112.40 1n3g n GLY 59 Ca 0.21 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 1n3g n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n3g s VAL 60 N -0.67 4.32 -0.71 1.61 1.01 -1.26 -0.17 120.40 124.53 1n3g s VAL 60 Ca 0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 1n3g s VAL 60 Cb 0.00 -2.98 0.09 0.00 0.00 0.00 0.00 36.38 33.49 1n3g s VAL 60 CO 0.00 0.40 0.96 -0.76 0.00 0.00 0.00 175.10 175.70 1n3g s LEU 61 N 1.04 4.73 -0.61 3.92 1.43 0.23 -4.91 118.68 124.52 1n3g s LEU 61 Ca 0.03 -1.33 -0.20 0.00 -1.03 0.00 0.00 54.13 51.60 1n3g s LEU 61 Cb -0.14 -2.39 0.09 0.00 0.03 0.00 0.00 46.19 43.78 1n3g s LEU 61 CO 0.03 -1.29 0.79 0.54 0.23 0.00 0.00 176.35 176.64 1n3g s VAL 62 N 3.48 4.65 -0.44 -1.59 0.11 -1.26 -1.15 120.40 124.20 1n3g s VAL 62 Ca 0.23 -0.75 -0.20 0.00 -2.93 0.00 0.00 61.98 58.32 1n3g s VAL 62 Cb -0.15 -4.55 0.02 0.00 -1.53 0.00 0.00 36.38 30.17 1n3g s VAL 62 CO 0.05 -1.22 0.62 0.00 -3.33 0.00 0.00 175.10 171.22 1n3g s ALA 63 N 3.15 3.35 -0.39 1.54 0.00 0.30 -4.85 121.76 124.86 1n3g s ALA 63 Ca 0.15 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 1n3g s ALA 63 Cb -0.21 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.70 1n3g s ALA 63 CO 0.08 -1.77 0.19 -1.12 0.00 0.00 0.00 175.76 173.14 1n3g s SER 64 N 1.98 5.42 0.15 0.00 0.01 -1.22 0.77 113.70 120.81 1n3g s SER 64 Ca 0.22 -1.52 0.01 0.00 1.31 0.00 0.00 55.95 55.97 1n3g s SER 64 Cb -0.14 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 1n3g s SER 64 CO 0.18 -0.47 0.31 -0.83 0.41 0.00 0.00 173.24 172.84 1n3g s GLY 65 N 1.83 1.80 -0.26 3.44 0.00 0.24 -4.69 107.32 109.69 1n3g s GLY 65 Ca 0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.79 1n3g s GLY 65 CO 0.01 -0.93 0.36 0.54 0.00 0.00 0.00 173.10 173.08 1n3g s LYS 66 N -3.16 0.35 -0.30 2.90 1.02 -1.22 -1.79 119.74 117.53 1n3g s LYS 66 Ca 0.36 0.27 -0.17 0.00 0.02 0.00 0.00 55.97 56.46 1n3g s LYS 66 Cb -0.11 -0.54 0.19 0.00 -0.52 0.00 0.00 37.83 36.85 1n3g s LYS 66 CO 0.28 -0.82 1.19 -1.58 -0.92 0.00 0.00 175.35 173.51 1n3g s HIS 67 N 2.49 -0.22 0.43 3.18 2.46 -1.07 -4.85 115.29 117.71 1n3g s HIS 67 Ca 0.11 0.42 0.27 0.00 0.47 0.00 0.00 55.06 56.33 1n3g s HIS 67 Cb -0.14 0.13 1.35 0.00 -0.13 0.00 0.00 32.58 33.78 1n3g s HIS 67 CO -0.22 -0.11 1.66 1.05 -2.47 0.00 0.00 174.74 174.65 1n3g h GLU 68 N 5.88 0.15 -6.68 2.88 9.09 -1.85 -0.82 114.58 123.24 1n3g h GLU 68 Ca -0.23 -0.01 -0.51 0.00 0.05 0.00 0.00 59.36 58.66 1n3g h GLU 68 Cb 1.15 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 28.21 1n3g h GLU 68 CO 0.18 0.10 0.40 -0.51 0.05 0.00 0.00 179.01 179.24 1n3g s ASP 69 N -4.69 7.46 0.03 3.06 1.01 -1.26 -4.48 116.67 117.79 1n3g s ASP 69 Ca -0.08 1.98 -0.25 0.00 0.71 0.00 0.00 52.55 54.91 1n3g s ASP 69 Cb 0.29 -2.60 -0.18 0.00 1.01 0.00 0.00 42.92 41.44 1n3g s ASP 69 CO 0.81 -0.04 1.43 0.00 0.21 0.00 0.00 175.17 177.58 1n3g h MET 70 N 4.78 -0.14 -0.23 8.23 -0.00 -2.00 -1.73 114.93 123.84 1n3g h MET 70 Ca -0.44 0.01 -0.03 0.00 -0.00 0.00 0.00 59.70 59.23 1n3g h MET 70 Cb 1.21 0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.83 1n3g h MET 70 CO 0.70 0.14 0.01 1.88 -0.00 0.00 0.00 176.91 179.64 1n3g h TYR 71 N -0.42 0.43 -0.59 -0.10 -1.99 -1.93 -2.48 116.97 109.89 1n3g h TYR 71 Ca -0.01 -0.07 0.11 0.00 2.00 0.00 0.00 58.73 60.76 1n3g h TYR 71 Cb 0.34 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 38.93 1n3g h TYR 71 CO 0.02 0.56 0.40 1.15 -0.00 0.00 0.00 178.16 180.29 1n3g h THR 72 N 0.17 0.85 -0.51 -2.88 2.02 -1.91 0.12 112.91 110.77 1n3g h THR 72 Ca 0.07 -0.11 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 1n3g h THR 72 Cb 0.38 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1n3g h THR 72 CO 0.01 0.06 -0.13 0.00 0.37 0.00 0.00 175.52 175.83 1n3g h ALA 73 N 1.70 0.80 0.64 6.16 0.00 -0.92 -2.16 119.26 125.47 1n3g h ALA 73 Ca 0.28 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1n3g h ALA 73 Cb 0.67 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1n3g h ALA 73 CO -0.07 0.66 -0.32 0.82 0.00 0.00 0.00 179.25 180.35 1n3g h ILE 74 N 0.87 0.36 -0.25 0.00 1.08 -0.35 -0.63 117.51 118.58 1n3g h ILE 74 Ca 0.13 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.66 1n3g h ILE 74 Cb 0.69 0.36 -0.07 0.00 -3.07 0.00 0.00 36.82 34.72 1n3g h ILE 74 CO 0.05 0.00 -0.22 0.78 -0.69 0.00 0.00 178.15 178.08 1n3g h ASN 75 N -0.87 -0.69 -0.93 1.72 2.35 -1.37 0.20 115.58 115.99 1n3g h ASN 75 Ca -0.09 0.13 0.11 0.00 -0.55 0.00 0.00 56.30 55.90 1n3g h ASN 75 Cb 0.67 0.34 -0.07 0.00 0.05 0.00 0.00 38.32 39.31 1n3g h ASN 75 CO 0.14 -0.25 0.60 -0.33 -1.65 0.00 0.00 177.43 175.93 1n3g h GLU 76 N -0.21 0.89 0.56 0.81 4.39 -1.31 0.28 114.58 119.99 1n3g h GLU 76 Ca 0.14 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 1n3g h GLU 76 Cb 0.43 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1n3g h GLU 76 CO -0.38 0.59 -0.27 1.25 -1.16 0.00 0.00 179.01 179.04 1n3g h LEU 77 N 0.92 -0.64 -0.93 1.33 6.46 0.54 -2.64 115.31 120.35 1n3g h LEU 77 Ca 0.44 -0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 58.13 1n3g h LEU 77 Cb 0.45 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 1n3g h LEU 77 CO -0.21 -0.35 0.31 -0.29 -0.62 0.00 0.00 178.44 177.28 1n3g h ILE 78 N -0.92 1.24 0.46 4.05 -0.00 -0.63 -2.76 117.51 118.95 1n3g h ILE 78 Ca -0.08 -0.75 -0.01 0.00 -0.00 0.00 0.00 64.86 64.02 1n3g h ILE 78 Cb 0.63 0.35 -0.03 0.00 -0.00 0.00 0.00 36.82 37.78 1n3g h ILE 78 CO 0.13 0.31 -0.50 0.78 -0.00 0.00 0.00 178.15 178.87 1n3g h ASN 79 N 1.06 -1.38 -0.73 2.19 2.35 -0.42 0.69 115.58 119.34 1n3g h ASN 79 Ca 0.25 0.12 0.09 0.00 -0.55 0.00 0.00 56.30 56.20 1n3g h ASN 79 Cb 0.18 0.46 -0.07 0.00 0.05 0.00 0.00 38.32 38.94 1n3g h ASN 79 CO -0.02 -0.65 0.38 0.07 -1.65 0.00 0.00 177.43 175.56 1n3g h LYS 80 N -0.97 0.63 -0.01 0.81 5.09 -1.45 -0.37 116.57 120.30 1n3g h LYS 80 Ca -0.05 -0.04 -0.09 0.00 0.09 0.00 0.00 60.65 60.55 1n3g h LYS 80 Cb 0.85 -0.14 -0.01 0.00 0.10 0.00 0.00 32.23 33.03 1n3g h LYS 80 CO -0.09 0.42 -0.44 -0.07 -2.09 0.00 0.00 179.45 177.18 1n3g h LEU 81 N 0.65 0.03 0.69 7.07 3.38 -1.18 -2.69 115.31 123.26 1n3g h LEU 81 Ca 0.35 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 1n3g h LEU 81 Cb 0.35 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1n3g h LEU 81 CO -0.26 0.47 -0.41 -0.08 0.09 0.00 0.00 178.44 178.25 1n3g h GLU 82 N 0.02 -0.99 -0.77 1.13 4.81 0.22 0.44 114.58 119.44 1n3g h GLU 82 Ca -0.00 0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1n3g h GLU 82 Cb 0.79 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 1n3g h GLU 82 CO 0.06 -0.66 0.51 0.07 -0.73 0.00 0.00 179.01 178.26 1n3g h ARG 83 N -1.02 0.88 0.67 1.92 -0.00 -1.52 -2.32 114.38 112.99 1n3g h ARG 83 Ca -0.09 -0.05 -0.03 0.00 -0.00 0.00 0.00 59.98 59.80 1n3g h ARG 83 Cb 0.81 -0.20 0.01 0.00 -0.00 0.00 0.00 29.97 30.59 1n3g h ARG 83 CO 0.10 0.58 -0.32 0.37 -0.00 0.00 0.00 179.97 180.70 1n3g h GLN 84 N 0.90 -0.87 -1.12 0.08 4.15 -1.23 -2.73 115.11 114.30 1n3g h GLN 84 Ca 0.32 0.06 0.32 0.00 0.77 0.00 0.00 58.65 60.11 1n3g h GLN 84 Cb 0.12 0.20 -0.06 0.00 0.21 0.00 0.00 27.48 27.94 1n3g h GLN 84 CO -0.10 -0.54 0.78 1.25 -1.93 0.00 0.00 178.83 178.29 1n3g h LEU 85 N -1.07 0.12 0.75 -2.39 6.46 0.14 0.84 115.31 120.17 1n3g h LEU 85 Ca -0.09 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 1n3g h LEU 85 Cb 0.72 0.01 0.01 0.00 -0.73 0.00 0.00 40.66 40.67 1n3g h LEU 85 CO 0.15 0.02 -0.36 0.78 -0.62 0.00 0.00 178.44 178.41 1n3g h ASN 86 N 0.11 -0.86 -0.14 1.25 2.35 -1.14 -0.66 115.58 116.50 1n3g h ASN 86 Ca 0.56 0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 56.16 1n3g h ASN 86 Cb 2.01 0.22 -0.00 0.00 0.05 0.00 0.00 38.32 40.60 1n3g h ASN 86 CO -0.09 -0.48 -0.58 0.07 -1.65 0.00 0.00 177.43 174.69 1n3g h LYS 87 N -1.27 0.74 -0.80 0.81 5.09 -1.00 -2.53 116.57 117.61 1n3g h LYS 87 Ca -0.10 -0.49 -0.02 0.00 0.09 0.00 0.00 60.65 60.12 1n3g h LYS 87 Cb 0.78 0.07 -0.04 0.00 0.10 0.00 0.00 32.23 33.14 1n3g h LYS 87 CO 0.17 1.12 0.41 1.25 -2.09 0.00 0.00 179.45 180.31 1n3g h LEU 88 N 0.56 1.02 -0.42 7.07 7.12 0.59 -2.62 115.31 128.63 1n3g h LEU 88 Ca 0.00 -0.10 -0.17 0.00 0.13 0.00 0.00 57.88 57.74 1n3g h LEU 88 Cb 1.17 -0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 41.04 1n3g h LEU 88 CO 0.12 0.84 -0.55 -0.61 -0.13 0.00 0.00 178.44 178.12 1n3g h GLN 89 N 1.13 0.70 -5.59 1.25 4.15 -1.08 -3.39 115.11 112.27 1n3g h GLN 89 Ca 0.28 -0.44 -0.33 0.00 0.77 0.00 0.00 58.65 58.93 1n3g h GLN 89 Cb 0.07 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 1n3g h GLN 89 CO -0.04 1.06 0.95 -1.01 -1.93 0.00 0.00 178.83 177.86 1n3g s HIS 90 N -4.06 1.92 0.03 3.99 3.76 -0.96 -3.43 115.29 116.55 1n3g s HIS 90 Ca -0.09 0.47 0.00 0.00 -0.15 0.00 0.00 55.06 55.30 1n3g s HIS 90 Cb 0.11 -4.05 0.00 0.00 1.11 0.00 0.00 32.58 29.75 1n3g s HIS 90 CO 0.86 -1.46 0.00 1.17 -0.85 0.00 0.00 174.74 174.46 1n3g n LYS 91 N 8.54 0.00 0.00 1.40 4.81 -1.26 -4.94 118.16 126.71 1n3g n LYS 91 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1n3g n LYS 91 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 1n3g n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n3g n GLY 92 N -1.05 -1.91 0.00 3.14 0.00 -1.22 -5.13 105.19 99.01 1n3g n GLY 92 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1n3g n GLY 92 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1n3g n GLU 93 N 0.00 0.00 -3.62 1.61 0.28 -1.26 -4.81 120.64 112.84 1n3g n GLU 93 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 1n3g n GLU 93 Cb 0.00 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 32.87 1n3g n GLU 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n3g s ALA 94 N -1.00 -2.42 -0.01 -1.84 0.00 -0.90 -3.72 121.76 111.87 1n3g s ALA 94 Ca 0.00 0.79 0.20 0.00 0.00 0.00 0.00 51.96 52.95 1n3g s ALA 94 Cb 0.00 0.34 0.34 0.00 0.00 0.00 0.00 23.12 23.80 1n3g s ALA 94 CO 0.00 -1.07 1.13 2.89 0.00 0.00 0.00 175.76 178.72 1n3g n ARG 95 N -0.54 0.03 -1.94 0.00 1.85 -1.26 -5.07 116.66 109.74 1n3g n ARG 95 Ca -0.08 -1.81 -0.34 0.00 -1.00 0.00 0.00 57.85 54.62 1n3g n ARG 95 Cb 0.63 0.08 0.03 0.00 -1.05 0.00 0.00 32.46 32.16 1n3g n ARG 95 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1n3g s ARG 96 N -0.06 2.97 -0.00 2.89 1.04 -1.26 -4.97 118.95 119.56 1n3g s ARG 96 Ca 0.27 1.56 0.04 0.00 -1.04 0.00 0.00 55.73 56.55 1n3g s ARG 96 Cb 0.31 -1.96 -0.04 0.00 -2.04 0.00 0.00 34.95 31.21 1n3g s ARG 96 CO -0.13 -1.15 0.17 0.00 -0.04 0.00 0.00 175.30 174.15 1n3g n ALA 97 N -1.93 2.51 -1.25 7.88 0.00 -1.26 -5.13 120.51 121.33 1n3g n ALA 97 Ca 0.11 -0.11 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1n3g n ALA 97 Cb 0.51 -0.15 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 1n3g n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n3g n ALA 98 N -1.11 -3.28 -1.00 0.00 0.00 -1.26 -4.77 120.51 109.09 1n3g n ALA 98 Ca 0.01 0.68 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1n3g n ALA 98 Cb 0.06 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1n3g n ALA 98 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1n3g n THR 99 N -4.07 0.00 -1.72 0.00 5.66 -1.26 -4.63 114.28 108.27 1n3g n THR 99 Ca -0.05 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.77 1n3g n THR 99 Cb 0.59 -0.11 -0.10 0.00 -1.55 0.00 0.00 70.33 69.15 1n3g n THR 99 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1n3g n SER 100 N -0.40 1.83 -0.10 1.09 7.64 -1.26 -4.52 113.62 117.90 1n3g n SER 100 Ca 0.00 -2.55 -0.22 0.00 1.01 0.00 0.00 58.87 57.11 1n3g n SER 100 Cb 0.00 -1.74 -0.12 0.00 -1.01 0.00 0.00 64.21 61.35 1n3g n SER 100 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1n3g n VAL 101 N 8.74 1.56 0.31 0.44 0.24 -1.26 -4.32 118.33 124.04 1n3g n VAL 101 Ca 0.42 -0.48 0.06 0.00 -2.04 0.00 0.00 64.34 62.30 1n3g n VAL 101 Cb 0.47 -1.67 0.22 0.00 -1.47 0.00 0.00 33.84 31.38 1n3g n VAL 101 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1n3g n LYS 102 N -3.69 2.53 -1.37 7.34 -0.00 -1.26 -4.94 118.16 116.76 1n3g n LYS 102 Ca -0.44 -1.72 -0.54 0.00 -0.00 0.00 0.00 58.31 55.61 1n3g n LYS 102 Cb 0.94 -1.58 -0.09 0.00 -0.00 0.00 0.00 35.03 34.30 1n3g n LYS 102 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1n3g n ASP 103 N 0.65 1.53 -4.70 -5.58 2.03 -1.26 -4.88 116.55 104.34 1n3g n ASP 103 Ca 0.16 0.49 -0.32 0.00 0.52 0.00 0.00 54.79 55.64 1n3g n ASP 103 Cb 0.54 -1.11 0.13 0.00 -0.72 0.00 0.00 41.12 39.96 1n3g n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n3g s ALA 104 N 6.94 1.81 -1.10 -1.67 0.00 -1.26 -4.95 121.76 121.54 1n3g s ALA 104 Ca 1.14 0.65 -0.07 0.00 0.00 0.00 0.00 51.96 53.69 1n3g s ALA 104 Cb -1.11 -3.43 0.29 0.00 0.00 0.00 0.00 23.12 18.87 1n3g s ALA 104 CO 0.55 -2.31 1.24 0.09 0.00 0.00 0.00 175.76 175.33 1n3g n ASN 105 N -3.60 5.81 0.11 0.00 3.02 -1.26 -4.76 115.26 114.58 1n3g n ASN 105 Ca 0.12 -3.18 0.03 0.00 -0.03 0.00 0.00 54.58 51.52 1n3g n ASN 105 Cb 0.52 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 1n3g n ASN 105 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1n3g h PHE 106 N 6.16 0.00 -3.59 3.10 0.04 -2.02 -3.41 116.94 117.22 1n3g h PHE 106 Ca 0.19 0.00 -0.74 0.00 2.80 0.00 0.00 57.97 60.21 1n3g h PHE 106 Cb 0.77 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 38.62 1n3g h PHE 106 CO 0.85 0.43 -0.17 0.14 -0.60 0.00 0.00 178.31 178.95 1n3g s VAL 107 N -3.01 4.65 0.00 -0.55 -7.23 -1.26 -5.03 120.40 107.97 1n3g s VAL 107 Ca 0.02 -2.49 0.00 0.00 -1.81 0.00 0.00 61.98 57.70 1n3g s VAL 107 Cb 0.08 -3.96 0.00 0.00 0.56 0.00 0.00 36.38 33.06 1n3g s VAL 107 CO 0.76 -0.92 0.00 -0.62 -0.31 0.00 0.00 175.10 174.01 1n3g n GLU 108 N 4.02 0.00 -1.84 4.82 -0.58 -1.26 -4.67 120.64 121.13 1n3g n GLU 108 Ca 0.06 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.46 1n3g n GLU 108 Cb 0.42 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.24 1n3g n GLU 108 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1n3g n GLU 109 N 0.00 1.73 -0.45 3.49 4.07 -1.26 -4.81 120.64 123.41 1n3g n GLU 109 Ca 0.00 -2.36 -0.14 0.00 -0.06 0.00 0.00 57.16 54.59 1n3g n GLU 109 Cb 0.00 -3.47 0.12 0.00 -0.06 0.00 0.00 31.44 28.03 1n3g n GLU 109 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1n3g n VAL 110 N 7.13 0.00 0.24 6.31 0.24 -0.09 -4.86 118.33 127.31 1n3g n VAL 110 Ca 0.47 -0.20 0.14 0.00 -2.04 0.00 0.00 64.34 62.71 1n3g n VAL 110 Cb 0.45 -1.02 0.71 0.00 -1.47 0.00 0.00 33.84 32.50 1n3g n VAL 110 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1n3g h GLU 111 N 0.00 0.00 0.00 7.34 4.81 -2.01 -3.34 114.58 121.38 1n3g h GLU 111 Ca -0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1n3g h GLU 111 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1n3g h GLU 111 CO 0.13 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.80 1n3g n GLU 112 N -2.46 0.00 0.00 1.92 1.02 -1.26 -5.31 120.64 114.54 1n3g n GLU 112 Ca -0.01 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1n3g n GLU 112 Cb 0.09 -0.07 0.03 0.00 -0.02 0.00 0.00 31.44 31.46 1n3g n GLU 112 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70