#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 -3.29 1.12 -2.24 -1.05 -5.03 114.28 103.78 1n3g n THR 2 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1n3g n THR 2 Cb 0.00 -1.80 -0.05 0.00 -2.10 0.00 0.00 70.33 66.38 1n3g n THR 2 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1n3g s MET 3 N 0.18 0.67 -0.26 -0.78 0.00 -1.26 -4.61 119.30 113.25 1n3g s MET 3 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 55.69 55.14 1n3g s MET 3 Cb 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 34.83 34.45 1n3g s MET 3 CO 0.00 -1.17 0.12 -0.80 0.00 0.00 0.00 175.02 173.18 1n3g s ASN 4 N 1.79 5.58 -0.15 1.11 0.01 -0.91 -5.05 114.94 117.31 1n3g s ASN 4 Ca 0.15 -0.09 -0.00 0.00 -0.71 0.00 0.00 52.86 52.21 1n3g s ASN 4 Cb -0.11 -2.01 0.04 0.00 0.41 0.00 0.00 41.25 39.57 1n3g s ASN 4 CO -0.09 -0.02 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.79 1n3g s ILE 5 N 1.55 1.07 -0.42 0.60 1.01 -1.26 -0.02 121.20 123.72 1n3g s ILE 5 Ca 0.06 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1n3g s ILE 5 Cb -0.15 -1.19 0.13 0.00 0.01 0.00 0.00 42.46 41.26 1n3g s ILE 5 CO 0.06 0.22 0.21 0.42 0.00 0.00 0.00 174.94 175.85 1n3g s THR 6 N 1.67 1.46 0.36 2.92 -4.23 -0.30 -4.96 115.64 112.55 1n3g s THR 6 Ca 0.02 -2.45 -0.00 0.00 -1.18 0.00 0.00 61.69 58.08 1n3g s THR 6 Cb -0.14 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.63 1n3g s THR 6 CO -0.08 -0.85 0.58 -0.44 -0.54 0.00 0.00 174.62 173.30 1n3g s SER 7 N 0.50 6.29 0.00 3.99 0.01 -1.26 -4.39 113.70 118.85 1n3g s SER 7 Ca 0.16 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.94 1n3g s SER 7 Cb -0.23 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1n3g s SER 7 CO -0.03 -0.33 0.00 1.17 0.41 0.00 0.00 173.24 174.46 1n3g n LYS 8 N -1.83 3.43 0.03 12.44 0.00 -1.26 -4.78 118.16 126.20 1n3g n LYS 8 Ca -0.04 0.00 0.21 0.00 0.00 0.00 0.00 58.31 58.48 1n3g n LYS 8 Cb 0.56 0.00 0.73 0.00 0.00 0.00 0.00 35.03 36.32 1n3g n LYS 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1n3g h GLN 9 N 0.00 0.00 -6.28 1.64 -0.00 -1.93 -3.37 115.11 105.17 1n3g h GLN 9 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 58.65 58.06 1n3g h GLN 9 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 27.38 1n3g h GLN 9 CO 0.00 0.00 0.70 1.41 -0.00 0.00 0.00 178.83 180.94 1n3g s MET 10 N -4.81 3.54 1.14 0.06 0.00 -1.26 -5.03 119.30 112.94 1n3g s MET 10 Ca -0.05 0.20 -0.19 0.00 0.00 0.00 0.00 55.69 55.65 1n3g s MET 10 Cb 0.18 -3.95 0.29 0.00 0.00 0.00 0.00 34.83 31.34 1n3g s MET 10 CO 0.64 -1.34 0.93 0.39 0.00 0.00 0.00 175.02 175.64 1n3g n GLU 11 N 7.49 -3.28 -3.36 4.11 1.02 -1.26 -4.72 120.64 120.65 1n3g n GLU 11 Ca 0.07 -1.50 -0.44 0.00 -0.02 0.00 0.00 57.16 55.27 1n3g n GLU 11 Cb 0.49 -1.51 -0.08 0.00 -0.02 0.00 0.00 31.44 30.32 1n3g n GLU 11 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n3g s ILE 12 N -2.59 5.15 0.58 -3.67 -1.09 -1.26 -5.04 121.20 113.28 1n3g s ILE 12 Ca 0.62 -0.68 -0.15 0.00 -2.23 0.00 0.00 60.65 58.21 1n3g s ILE 12 Cb -0.07 -4.08 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1n3g s ILE 12 CO 0.49 -0.50 1.04 0.42 -1.23 0.00 0.00 174.94 175.16 1n3g s THR 13 N 1.93 4.08 0.52 2.92 -4.23 -1.26 -4.79 115.64 114.81 1n3g s THR 13 Ca 0.08 0.95 0.26 0.00 -1.18 0.00 0.00 61.69 61.80 1n3g s THR 13 Cb -0.20 -3.50 0.42 0.00 1.34 0.00 0.00 72.50 70.56 1n3g s THR 13 CO 0.10 -0.62 1.95 1.55 -0.54 0.00 0.00 174.62 177.07 1n3g h PRO 14 N 0.44 0.04 -0.16 3.99 0.13 -1.98 0.12 132.00 134.57 1n3g h PRO 14 Ca -0.46 -0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 1n3g h PRO 14 Cb 1.21 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1n3g h PRO 14 CO 0.59 0.02 -0.64 0.00 -0.23 0.00 0.00 178.00 177.74 1n3g h ALA 15 N 1.67 0.58 0.06 -0.56 0.00 -1.98 -2.07 119.26 116.95 1n3g h ALA 15 Ca 0.32 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1n3g h ALA 15 Cb 1.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1n3g h ALA 15 CO -0.02 0.71 -0.03 0.82 0.00 0.00 0.00 179.25 180.74 1n3g h ILE 16 N 0.43 1.28 -0.37 0.00 2.04 -1.21 -1.63 117.51 118.05 1n3g h ILE 16 Ca -0.01 -1.38 0.06 0.00 1.00 0.00 0.00 64.86 64.53 1n3g h ILE 16 Cb 1.21 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 39.42 1n3g h ILE 16 CO 0.12 0.33 0.25 0.08 0.00 0.00 0.00 178.15 178.94 1n3g h ARG 17 N -0.72 0.23 -0.01 2.37 -0.00 -1.19 0.30 114.38 115.36 1n3g h ARG 17 Ca -0.01 -0.01 -0.24 0.00 -0.00 0.00 0.00 59.98 59.72 1n3g h ARG 17 Cb 0.60 -0.05 0.01 0.00 -0.00 0.00 0.00 29.97 30.53 1n3g h ARG 17 CO 0.01 0.15 -0.97 0.37 -0.00 0.00 0.00 179.97 179.54 1n3g h GLN 18 N 0.24 0.55 0.39 0.08 -0.00 -1.37 -2.25 115.11 112.75 1n3g h GLN 18 Ca 0.17 -0.58 -0.02 0.00 -0.00 0.00 0.00 58.65 58.22 1n3g h GLN 18 Cb 0.36 0.16 0.00 0.00 0.00 0.00 0.00 27.48 28.00 1n3g h GLN 18 CO -0.03 1.20 -0.19 1.25 0.00 0.00 0.00 178.83 181.06 1n3g h HIS 19 N 0.31 -0.49 -1.01 3.99 2.76 -0.22 -2.42 115.15 118.08 1n3g h HIS 19 Ca -0.10 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.17 1n3g h HIS 19 Cb 1.61 0.16 -0.08 0.00 1.55 0.00 0.00 27.41 30.65 1n3g h HIS 19 CO 0.08 -0.30 0.64 -0.24 -1.30 0.00 0.00 177.93 176.80 1n3g h VAL 20 N -0.93 0.95 -0.32 5.26 3.04 -1.14 -1.64 116.25 121.47 1n3g h VAL 20 Ca -0.05 -0.35 0.01 0.00 -1.01 0.00 0.00 66.70 65.29 1n3g h VAL 20 Cb 0.41 -0.17 -0.02 0.00 -2.01 0.00 0.00 31.29 29.49 1n3g h VAL 20 CO 0.09 0.19 0.20 0.00 -1.01 0.00 0.00 177.57 177.03 1n3g h ALA 21 N 1.53 0.41 -0.60 3.17 0.00 -1.48 0.67 119.26 122.96 1n3g h ALA 21 Ca 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1n3g h ALA 21 Cb 0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1n3g h ALA 21 CO -0.25 -0.15 0.35 0.22 0.00 0.00 0.00 179.25 179.41 1n3g h ASP 22 N 0.41 0.71 0.04 0.00 1.82 -0.80 0.71 116.42 119.32 1n3g h ASP 22 Ca 0.12 -0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1n3g h ASP 22 Cb -0.02 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 39.81 1n3g h ASP 22 CO -0.05 0.56 -0.02 0.03 -1.61 0.00 0.00 179.24 178.15 1n3g h ARG 23 N 0.82 -0.06 -0.06 0.28 3.08 -0.75 -2.54 114.38 115.15 1n3g h ARG 23 Ca 0.21 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 1n3g h ARG 23 Cb -0.01 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1n3g h ARG 23 CO -0.04 0.58 0.03 1.25 -1.07 0.00 0.00 179.97 180.73 1n3g h LEU 24 N -0.88 0.08 0.25 3.04 5.85 0.45 -0.54 115.31 123.56 1n3g h LEU 24 Ca -0.01 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1n3g h LEU 24 Cb 0.67 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1n3g h LEU 24 CO 0.01 0.15 -0.25 0.00 -0.34 0.00 0.00 178.44 178.00 1n3g h ALA 25 N 0.94 -0.52 0.00 1.25 0.00 0.30 -1.33 119.26 119.90 1n3g h ALA 25 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1n3g h ALA 25 Cb 0.08 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1n3g h ALA 25 CO -0.00 -0.82 0.00 0.87 0.00 0.00 0.00 179.25 179.29 1n3g h LYS 26 N -0.54 0.00 0.00 0.00 1.79 -1.41 -1.87 116.57 114.54 1n3g h LYS 26 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1n3g h LYS 26 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1n3g h LYS 26 CO -0.06 0.00 0.00 -0.11 -1.08 0.00 0.00 179.45 178.20 1n3g n LEU 27 N -2.68 0.40 0.26 2.94 0.00 -0.22 -2.40 117.00 115.30 1n3g n LEU 27 Ca -0.01 0.62 0.17 0.00 0.00 0.00 0.00 56.01 56.80 1n3g n LEU 27 Cb 0.14 -0.59 0.89 0.00 0.00 0.00 0.00 43.42 43.86 1n3g n LEU 27 CO 0.18 -0.54 1.02 -0.33 0.00 0.00 0.00 177.39 177.72 1n3g h GLU 28 N 0.00 0.00 -0.71 1.96 4.39 -1.39 -0.97 114.58 117.85 1n3g h GLU 28 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1n3g h GLU 28 Cb 0.23 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1n3g h GLU 28 CO 0.00 0.00 0.05 1.17 -1.16 0.00 0.00 179.01 179.07 1n3g n LYS 29 N -2.74 3.80 -1.27 2.33 3.00 -1.01 -4.31 118.16 117.96 1n3g n LYS 29 Ca -0.02 -2.42 -0.28 0.00 -0.00 0.00 0.00 58.31 55.59 1n3g n LYS 29 Cb 0.10 -2.08 0.14 0.00 0.00 0.00 0.00 35.03 33.19 1n3g n LYS 29 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1n3g n TRP 30 N 0.35 3.13 -1.05 5.64 7.02 -0.37 -4.87 117.44 127.29 1n3g n TRP 30 Ca 0.24 -2.35 -0.06 0.00 -1.02 0.00 0.00 57.50 54.32 1n3g n TRP 30 Cb 1.03 -1.16 -0.02 0.00 -2.42 0.00 0.00 31.31 28.74 1n3g n TRP 30 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1n3g n GLN 31 N -1.05 -1.29 -1.74 -0.99 3.00 -1.26 -4.88 117.38 109.17 1n3g n GLN 31 Ca 0.61 0.35 -0.14 0.00 -0.01 0.00 0.00 57.00 57.81 1n3g n GLN 31 Cb 1.24 -4.31 0.07 0.00 0.00 0.00 0.00 30.24 27.25 1n3g n GLN 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1n3g n THR 32 N -1.30 0.00 -0.99 5.09 -2.24 -1.26 -5.05 114.28 108.53 1n3g n THR 32 Ca -0.06 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 1n3g n THR 32 Cb 0.21 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 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 -2.31 0.00 0.00 4.78 8.25 -1.26 -5.01 115.22 119.67 1n3g n HIS 33 Ca 0.10 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1n3g n HIS 33 Cb 0.35 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 0.00 0.00 2.41 4.32 -1.26 -4.69 117.00 117.78 1n3g n LEU 34 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1n3g n LEU 34 Cb 0.37 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 1n3g n LEU 34 CO 0.00 0.00 -0.33 -0.38 -1.22 0.00 0.00 177.39 175.46 1n3g n ILE 35 N 0.00 0.00 -3.17 -0.08 5.41 -0.98 -1.17 119.36 119.37 1n3g n ILE 35 Ca 0.00 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.37 1n3g n ILE 35 Cb 0.00 -0.89 -0.02 0.00 -0.71 0.00 0.00 39.64 38.02 1n3g n ILE 35 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1n3g n ASN 36 N -2.61 5.47 -4.74 4.38 3.02 -1.26 -1.55 115.26 117.98 1n3g n ASN 36 Ca 0.00 -3.41 -0.41 0.00 -0.03 0.00 0.00 54.58 50.72 1n3g n ASN 36 Cb 0.33 -1.07 -0.03 0.00 -0.61 0.00 0.00 39.78 38.41 1n3g n ASN 36 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1n3g s PRO 37 N -2.63 4.35 -0.08 3.52 0.04 -1.26 -3.01 135.00 135.92 1n3g s PRO 37 Ca 0.34 2.12 0.01 0.00 0.04 0.00 0.00 61.00 63.52 1n3g s PRO 37 Cb 0.08 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.45 1n3g s PRO 37 CO 0.06 -0.33 -0.11 -1.58 0.04 0.00 0.00 177.00 175.08 1n3g s HIS 38 N 0.26 1.45 -0.24 0.56 2.46 0.29 -2.15 115.29 117.92 1n3g s HIS 38 Ca 0.59 -0.59 0.01 0.00 0.47 0.00 0.00 55.06 55.54 1n3g s HIS 38 Cb -0.38 -1.11 0.06 0.00 -0.13 0.00 0.00 32.58 31.02 1n3g s HIS 38 CO 0.38 -0.35 -0.06 0.42 -2.47 0.00 0.00 174.74 172.66 1n3g s ILE 39 N 0.98 1.62 -0.70 0.89 1.09 0.97 0.13 121.20 126.18 1n3g s ILE 39 Ca -0.09 -1.26 -0.00 0.00 -1.10 0.00 0.00 60.65 58.20 1n3g s ILE 39 Cb -0.15 -1.85 0.18 0.00 -1.06 0.00 0.00 42.46 39.57 1n3g s ILE 39 CO -0.00 -0.08 0.52 -0.63 -0.10 0.00 0.00 174.94 174.66 1n3g s ILE 40 N 1.36 3.63 -0.62 2.92 1.09 0.17 -1.16 121.20 128.59 1n3g s ILE 40 Ca -0.06 -3.49 -0.20 0.00 -1.10 0.00 0.00 60.65 55.80 1n3g s ILE 40 Cb -0.19 -3.34 0.09 0.00 -1.06 0.00 0.00 42.46 37.96 1n3g s ILE 40 CO -0.06 -0.95 0.80 -0.22 -0.10 0.00 0.00 174.94 174.41 1n3g s LEU 41 N -0.69 5.01 0.13 2.97 0.20 -1.26 -1.62 118.68 123.41 1n3g s LEU 41 Ca 0.21 -1.27 0.07 0.00 0.69 0.00 0.00 54.13 53.84 1n3g s LEU 41 Cb -0.15 -2.35 -0.04 0.00 -0.43 0.00 0.00 46.19 43.23 1n3g s LEU 41 CO -0.08 -1.24 -0.08 -0.44 -0.29 0.00 0.00 176.35 174.22 1n3g s SER 42 N 3.65 4.46 -0.33 3.68 0.01 -1.06 -3.99 113.70 120.13 1n3g s SER 42 Ca 0.15 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 56.83 1n3g s SER 42 Cb -0.21 -0.86 -0.01 0.00 0.21 0.00 0.00 66.02 65.14 1n3g s SER 42 CO 0.08 0.15 0.50 -0.75 0.41 0.00 0.00 173.24 173.63 1n3g s LYS 43 N -2.41 3.74 0.00 12.44 2.20 -1.26 0.46 119.74 134.90 1n3g s LYS 43 Ca 0.23 -0.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.80 1n3g s LYS 43 Cb -0.11 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.41 1n3g s LYS 43 CO 0.15 -0.56 -0.01 -1.21 -0.36 0.00 0.00 175.35 173.36 1n3g s GLU 44 N 2.35 2.72 0.25 4.03 2.02 -0.33 -4.92 118.70 124.82 1n3g s GLU 44 Ca 0.19 -0.65 -0.12 0.00 0.02 0.00 0.00 54.97 54.41 1n3g s GLU 44 Cb -0.15 -2.63 0.35 0.00 0.10 0.00 0.00 34.13 31.80 1n3g s GLU 44 CO 0.12 0.62 1.50 -2.30 0.02 0.00 0.00 175.26 175.22 1n3g n PRO 45 N 1.40 -0.15 -1.75 0.39 -0.01 -1.26 -0.92 135.00 132.69 1n3g n PRO 45 Ca -0.15 1.50 -0.37 0.00 -0.01 0.00 0.00 63.50 64.47 1n3g n PRO 45 Cb 0.53 -2.23 0.05 0.00 -0.01 0.00 0.00 33.50 31.83 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 -5.51 2.81 0.00 -0.52 7.27 -1.26 -5.00 117.38 115.16 1n3g n GLN 46 Ca 0.13 -3.53 0.00 0.00 0.07 0.00 0.00 57.00 53.67 1n3g n GLN 46 Cb 0.44 -2.28 0.00 0.00 2.41 0.00 0.00 30.24 30.82 1n3g n GLN 46 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1n3g n GLY 47 N -0.67 3.09 3.79 1.69 0.00 -0.10 -4.72 105.19 108.27 1n3g n GLY 47 Ca 0.56 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.60 3.31 -0.89 1.61 0.08 0.33 -1.19 117.98 118.64 1n3g s PHE 48 Ca 0.00 1.66 -0.01 0.00 0.12 0.00 0.00 56.93 58.70 1n3g s PHE 48 Cb 0.00 -3.05 0.25 0.00 -0.57 0.00 0.00 43.02 39.65 1n3g s PHE 48 CO 0.00 -0.43 0.94 0.28 -0.10 0.00 0.00 175.22 175.91 1n3g n VAL 49 N -0.14 3.43 -2.37 -0.44 0.31 0.17 -2.57 118.33 116.72 1n3g n VAL 49 Ca 0.05 -5.33 -0.38 0.00 -0.01 0.00 0.00 64.34 58.67 1n3g n VAL 49 Cb 0.51 -2.25 -0.03 0.00 -0.91 0.00 0.00 33.84 31.15 1n3g n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n3g s ALA 50 N -1.96 2.44 -0.75 3.52 0.00 -0.94 -2.55 121.76 121.53 1n3g s ALA 50 Ca 0.31 -1.54 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 1n3g s ALA 50 Cb 0.01 -4.40 0.19 0.00 0.00 0.00 0.00 23.12 18.91 1n3g s ALA 50 CO -0.05 -3.77 0.60 0.34 0.00 0.00 0.00 175.76 172.88 1n3g s ASP 51 N 5.69 5.73 -0.43 0.00 2.15 -0.64 0.17 116.67 129.33 1n3g s ASP 51 Ca 0.51 -3.10 -0.14 0.00 0.43 0.00 0.00 52.55 50.24 1n3g s ASP 51 Cb -0.06 -1.93 0.05 0.00 -0.30 0.00 0.00 42.92 40.67 1n3g s ASP 51 CO 0.06 -0.34 0.32 0.00 -0.17 0.00 0.00 175.17 175.04 1n3g s ALA 52 N -0.43 3.48 -0.25 3.66 0.00 0.30 -0.66 121.76 127.86 1n3g s ALA 52 Ca 0.20 -1.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.21 1n3g s ALA 52 Cb -0.15 -2.91 -0.00 0.00 0.00 0.00 0.00 23.12 20.06 1n3g s ALA 52 CO -0.07 -1.57 0.00 0.99 0.00 0.00 0.00 175.76 175.11 1n3g s THR 53 N 1.63 3.56 -0.07 0.00 2.01 0.34 0.13 115.64 123.25 1n3g s THR 53 Ca 0.04 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1n3g s THR 53 Cb -0.21 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 1n3g s THR 53 CO 0.08 0.29 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.54 1n3g s ILE 54 N 1.48 3.18 -1.23 1.82 1.01 -0.06 0.10 121.20 127.51 1n3g s ILE 54 Ca 0.04 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 1n3g s ILE 54 Cb -0.15 -2.27 0.15 0.00 0.01 0.00 0.00 42.46 40.19 1n3g s ILE 54 CO -0.01 0.58 1.51 -3.20 0.00 0.00 0.00 174.94 173.82 1n3g n ASN 55 N 2.50 5.16 -4.94 3.58 4.05 -1.17 0.81 115.26 125.26 1n3g n ASN 55 Ca -0.17 -2.97 -0.24 0.00 0.45 0.00 0.00 54.58 51.65 1n3g n ASN 55 Cb 0.52 -1.60 -0.00 0.00 1.23 0.00 0.00 39.78 39.93 1n3g n ASN 55 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1n3g s THR 56 N 2.02 4.71 -1.11 -0.44 -4.23 -1.26 -2.32 115.64 113.00 1n3g s THR 56 Ca 0.45 -0.40 0.15 0.00 -1.18 0.00 0.00 61.69 60.71 1n3g s THR 56 Cb -0.01 -3.73 0.16 0.00 1.34 0.00 0.00 72.50 70.25 1n3g s THR 56 CO 0.02 -0.52 1.46 -0.81 -0.54 0.00 0.00 174.62 174.23 1n3g n PRO 57 N -1.94 0.06 0.21 3.99 -0.04 -1.26 -2.48 135.00 133.54 1n3g n PRO 57 Ca -0.02 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 63.79 1n3g n PRO 57 Cb 0.57 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.83 1n3g n PRO 57 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 1n3g h ASN 58 N 0.00 0.00 0.00 3.54 -1.07 -1.93 -3.46 115.58 112.66 1n3g h ASN 58 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1n3g h ASN 58 Cb 0.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.47 1n3g h ASN 58 CO 0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 1n3g n GLY 59 N 0.91 1.30 0.00 9.14 0.00 -1.03 -5.02 105.19 110.49 1n3g n GLY 59 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1n3g n GLY 59 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1n3g n VAL 60 N 0.00 -1.00 -3.61 1.61 3.14 -1.11 -4.95 118.33 112.41 1n3g n VAL 60 Ca 0.00 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 1n3g n VAL 60 Cb 0.00 -0.96 -0.08 0.00 -1.06 0.00 0.00 33.84 31.74 1n3g n VAL 60 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1n3g s LEU 61 N -1.04 5.65 -0.58 6.55 1.43 0.24 -4.85 118.68 126.08 1n3g s LEU 61 Ca 0.00 -2.64 -0.20 0.00 -1.03 0.00 0.00 54.13 50.26 1n3g s LEU 61 Cb 0.00 -1.96 0.08 0.00 0.03 0.00 0.00 46.19 44.35 1n3g s LEU 61 CO 0.00 -0.47 0.76 0.54 0.23 0.00 0.00 176.35 177.41 1n3g s VAL 62 N 0.25 4.69 -0.30 -1.59 0.11 -1.26 -0.88 120.40 121.42 1n3g s VAL 62 Ca 0.15 -0.64 -0.17 0.00 -2.93 0.00 0.00 61.98 58.39 1n3g s VAL 62 Cb -0.19 -4.49 -0.02 0.00 -1.53 0.00 0.00 36.38 30.15 1n3g s VAL 62 CO -0.04 -1.13 0.47 0.00 -3.33 0.00 0.00 175.10 171.07 1n3g s ALA 63 N 3.08 3.54 -0.22 1.54 0.00 0.35 -4.75 121.76 125.30 1n3g s ALA 63 Ca 0.16 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 1n3g s ALA 63 Cb -0.20 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 1n3g s ALA 63 CO 0.09 -0.92 0.01 -1.12 0.00 0.00 0.00 175.76 173.83 1n3g s SER 64 N 1.66 4.82 -0.60 0.00 0.01 -1.25 -0.54 113.70 117.80 1n3g s SER 64 Ca 0.18 -0.24 0.04 0.00 1.31 0.00 0.00 55.95 57.25 1n3g s SER 64 Cb -0.16 -1.84 0.16 0.00 0.21 0.00 0.00 66.02 64.39 1n3g s SER 64 CO 0.11 0.02 0.40 -0.83 0.41 0.00 0.00 173.24 173.35 1n3g s GLY 65 N 1.27 2.45 -0.26 3.44 0.00 0.13 -3.29 107.32 111.05 1n3g s GLY 65 Ca 0.04 -3.39 -0.21 0.00 0.00 0.00 0.00 44.72 41.16 1n3g s GLY 65 CO 0.01 1.28 0.66 1.25 0.00 0.00 0.00 173.10 176.30 1n3g s LYS 66 N -0.82 4.07 -0.26 2.90 2.36 -1.26 -2.22 119.74 124.52 1n3g s LYS 66 Ca 0.24 0.55 -0.28 0.00 -2.55 0.00 0.00 55.97 53.93 1n3g s LYS 66 Cb -0.09 -3.67 0.17 0.00 -1.05 0.00 0.00 37.83 33.19 1n3g s LYS 66 CO -0.12 -0.47 1.26 -1.58 1.55 0.00 0.00 175.35 175.99 1n3g s HIS 67 N 2.59 -0.17 0.19 4.03 2.46 -1.06 -4.90 115.29 118.43 1n3g s HIS 67 Ca 0.27 0.33 -0.09 0.00 0.47 0.00 0.00 55.06 56.04 1n3g s HIS 67 Cb -0.15 0.47 0.12 0.00 -0.13 0.00 0.00 32.58 32.88 1n3g s HIS 67 CO 0.09 -0.12 1.74 0.93 -2.47 0.00 0.00 174.74 174.91 1n3g h GLU 68 N 2.66 1.07 -6.85 2.88 5.08 -1.88 0.95 114.58 118.49 1n3g h GLU 68 Ca -0.17 -0.21 -0.49 0.00 -1.00 0.00 0.00 59.36 57.49 1n3g h GLU 68 Cb 1.18 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1n3g h GLU 68 CO 0.22 0.91 0.39 -0.51 -1.00 0.00 0.00 179.01 179.02 1n3g s ASP 69 N -6.29 7.26 0.01 1.42 1.11 -1.26 -4.53 116.67 114.38 1n3g s ASP 69 Ca -0.12 2.02 -0.14 0.00 0.18 0.00 0.00 52.55 54.48 1n3g s ASP 69 Cb 0.14 -2.60 -0.08 0.00 1.07 0.00 0.00 42.92 41.45 1n3g s ASP 69 CO 0.83 -0.13 0.96 -0.03 1.18 0.00 0.00 175.17 177.98 1n3g h MET 70 N 3.40 -0.50 -0.59 8.23 4.05 -2.00 -1.72 114.93 125.79 1n3g h MET 70 Ca -0.47 0.03 0.01 0.00 -0.28 0.00 0.00 59.70 58.99 1n3g h MET 70 Cb 1.20 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 32.09 1n3g h MET 70 CO 0.66 -0.33 0.39 1.88 0.23 0.00 0.00 176.91 179.73 1n3g h TYR 71 N -0.65 0.75 -0.18 1.39 -1.99 -1.96 -1.44 116.97 112.89 1n3g h TYR 71 Ca -0.05 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.73 1n3g h TYR 71 Cb 0.40 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 1n3g h TYR 71 CO 0.08 0.48 0.13 1.15 -0.00 0.00 0.00 178.16 180.00 1n3g h THR 72 N 0.81 0.95 -0.17 -2.88 2.02 -1.97 -0.75 112.91 110.92 1n3g h THR 72 Ca 0.22 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1n3g h THR 72 Cb -0.09 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1n3g h THR 72 CO -0.05 0.02 0.01 0.00 0.37 0.00 0.00 175.52 175.87 1n3g h ALA 73 N 1.90 0.22 0.00 6.16 0.00 -0.30 -1.17 119.26 126.07 1n3g h ALA 73 Ca 0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1n3g h ALA 73 Cb 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1n3g h ALA 73 CO -0.01 -0.08 -0.26 0.82 0.00 0.00 0.00 179.25 179.72 1n3g h ILE 74 N 0.05 1.06 -0.02 0.00 1.08 -0.94 -1.79 117.51 116.93 1n3g h ILE 74 Ca 0.05 -0.92 -0.14 0.00 -0.39 0.00 0.00 64.86 63.47 1n3g h ILE 74 Cb 0.36 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 1n3g h ILE 74 CO 0.01 0.25 -0.62 0.78 -0.69 0.00 0.00 178.15 177.88 1n3g h ASN 75 N 0.00 0.10 -0.10 1.72 2.35 -0.85 -2.54 115.58 116.26 1n3g h ASN 75 Ca -0.00 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.57 1n3g h ASN 75 Cb 0.49 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.84 1n3g h ASN 75 CO 0.03 0.69 -0.42 -0.08 -1.65 0.00 0.00 177.43 176.01 1n3g h GLU 76 N 0.06 0.46 -0.42 0.81 4.81 -0.40 -2.66 114.58 117.24 1n3g h GLU 76 Ca -0.01 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 58.81 1n3g h GLU 76 Cb 1.11 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1n3g h GLU 76 CO 0.09 0.99 0.03 1.37 -0.73 0.00 0.00 179.01 180.76 1n3g h LEU 77 N 0.03 0.63 -0.33 1.64 8.10 -1.38 -2.40 115.31 121.60 1n3g h LEU 77 Ca -0.02 -0.13 -0.07 0.00 0.11 0.00 0.00 57.88 57.77 1n3g h LEU 77 Cb 1.06 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 41.10 1n3g h LEU 77 CO 0.09 0.68 -0.05 -0.29 -4.11 0.00 0.00 178.44 174.76 1n3g h ILE 78 N 0.64 1.27 0.66 0.15 -0.00 -1.47 -1.89 117.51 116.87 1n3g h ILE 78 Ca 0.13 -1.07 -0.03 0.00 -0.00 0.00 0.00 64.86 63.89 1n3g h ILE 78 Cb 0.36 1.31 0.01 0.00 -0.00 0.00 0.00 36.82 38.49 1n3g h ILE 78 CO 0.01 0.35 -0.32 0.78 -0.00 0.00 0.00 178.15 178.97 1n3g h ASN 79 N 0.39 -0.76 0.35 2.19 2.35 -1.26 0.17 115.58 119.03 1n3g h ASN 79 Ca 0.09 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1n3g h ASN 79 Cb 0.53 0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 1n3g h ASN 79 CO 0.03 -0.54 -0.37 0.11 -1.65 0.00 0.00 177.43 175.00 1n3g h LYS 80 N -0.89 -0.73 -0.47 0.81 6.56 -1.49 -2.19 116.57 118.17 1n3g h LYS 80 Ca -0.09 0.05 0.05 0.00 -1.06 0.00 0.00 60.65 59.60 1n3g h LYS 80 Cb 0.68 0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 32.48 1n3g h LYS 80 CO 0.15 -0.49 0.31 1.25 -2.06 0.00 0.00 179.45 178.62 1n3g h LEU 81 N -0.76 0.38 -0.14 2.94 7.12 -1.36 -2.36 115.31 121.13 1n3g h LEU 81 Ca -0.02 -0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.01 1n3g h LEU 81 Cb 0.69 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.71 1n3g h LEU 81 CO -0.08 0.25 -0.02 -0.08 -0.13 0.00 0.00 178.44 178.39 1n3g h GLU 82 N 0.43 0.02 -0.69 1.25 4.81 -0.04 -0.50 114.58 119.87 1n3g h GLU 82 Ca 0.20 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1n3g h GLU 82 Cb 0.25 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1n3g h GLU 82 CO -0.05 0.02 0.22 -0.09 -0.73 0.00 0.00 179.01 178.38 1n3g h ARG 83 N 0.02 1.06 0.08 1.92 9.65 -1.05 -1.42 114.38 124.64 1n3g h ARG 83 Ca 0.07 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 1n3g h ARG 83 Cb 0.09 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 1n3g h ARG 83 CO -0.13 0.91 -0.09 0.37 2.80 0.00 0.00 179.97 183.84 1n3g h GLN 84 N 1.00 -0.18 -0.02 0.20 4.15 -1.06 -2.09 115.11 117.11 1n3g h GLN 84 Ca 0.22 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.62 1n3g h GLN 84 Cb 0.29 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1n3g h GLN 84 CO -0.01 -0.12 -0.17 1.25 -1.93 0.00 0.00 178.83 177.85 1n3g h LEU 85 N -0.19 0.02 0.44 -2.39 6.46 -1.00 -2.75 115.31 115.91 1n3g h LEU 85 Ca 0.01 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1n3g h LEU 85 Cb 0.19 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1n3g h LEU 85 CO -0.03 0.19 -0.23 0.78 -0.62 0.00 0.00 178.44 178.53 1n3g h ASN 86 N 0.02 -0.56 -0.18 1.25 2.35 -0.59 0.15 115.58 118.03 1n3g h ASN 86 Ca 0.00 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1n3g h ASN 86 Cb 0.31 0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1n3g h ASN 86 CO 0.02 -0.38 0.03 0.50 -1.65 0.00 0.00 177.43 175.95 1n3g h LYS 87 N -0.62 0.10 0.00 0.81 1.63 -1.28 -0.49 116.57 116.72 1n3g h LYS 87 Ca -0.06 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1n3g h LYS 87 Cb 0.49 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1n3g h LYS 87 CO 0.08 0.07 0.00 -0.11 -3.45 0.00 0.00 179.45 176.04 1n3g n LEU 88 N -5.09 0.41 0.01 5.20 -0.00 -1.05 -3.14 117.00 113.33 1n3g n LEU 88 Ca -0.03 0.62 -0.06 0.00 -0.00 0.00 0.00 56.01 56.54 1n3g n LEU 88 Cb 0.09 -0.59 -0.04 0.00 -0.00 0.00 0.00 43.42 42.88 1n3g n LEU 88 CO 0.29 -0.53 0.17 1.56 -0.00 0.00 0.00 177.39 178.88 1n3g h GLN 89 N 0.00 -0.14 -5.42 1.96 1.08 0.99 -2.56 115.11 111.01 1n3g h GLN 89 Ca 0.00 0.01 -0.13 0.00 -1.45 0.00 0.00 58.65 57.08 1n3g h GLN 89 Cb 0.25 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1n3g h GLN 89 CO 0.00 0.11 0.36 -1.01 -0.95 0.00 0.00 178.83 177.34 1n3g s HIS 90 N -2.33 1.44 -0.99 2.96 3.76 -1.01 -3.42 115.29 115.71 1n3g s HIS 90 Ca -0.07 1.49 -0.05 0.00 -0.15 0.00 0.00 55.06 56.28 1n3g s HIS 90 Cb -0.00 -3.65 -0.06 0.00 1.11 0.00 0.00 32.58 29.98 1n3g s HIS 90 CO 0.23 -1.40 0.87 1.17 -0.85 0.00 0.00 174.74 174.77 1n3g n LYS 91 N 8.64 -2.05 -1.68 1.40 4.81 -1.26 -4.80 118.16 123.22 1n3g n LYS 91 Ca 0.44 1.00 -0.27 0.00 -0.87 0.00 0.00 58.31 58.60 1n3g n LYS 91 Cb 0.45 -5.81 -0.08 0.00 0.02 0.00 0.00 35.03 29.61 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 -1.35 0.69 2.34 3.14 0.00 -0.97 -4.46 105.19 104.59 1n3g n GLY 92 Ca -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1n3g n GLY 92 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n3g n GLU 93 N 8.06 -5.32 -1.10 1.61 -0.58 -1.26 -4.83 120.64 117.21 1n3g n GLU 93 Ca 0.44 3.84 -0.25 0.00 -0.42 0.00 0.00 57.16 60.77 1n3g n GLU 93 Cb 0.46 -4.72 0.08 0.00 -0.57 0.00 0.00 31.44 26.69 1n3g n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n3g n ALA 94 N 1.88 5.61 -2.68 0.62 0.00 -1.26 -4.93 120.51 119.74 1n3g n ALA 94 Ca 0.00 -2.62 -0.03 0.00 0.00 0.00 0.00 53.44 50.80 1n3g n ALA 94 Cb 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 19.45 17.88 1n3g n ALA 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n3g n ARG 95 N -0.51 -3.93 -1.17 0.00 1.74 -1.26 -4.97 116.66 106.56 1n3g n ARG 95 Ca 0.49 3.05 -0.30 0.00 -0.77 0.00 0.00 57.85 60.32 1n3g n ARG 95 Cb 0.84 -5.11 0.14 0.00 -1.02 0.00 0.00 32.46 27.31 1n3g n ARG 95 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1n3g s ARG 96 N -1.17 1.31 -0.02 5.56 1.81 -1.26 -5.06 118.95 120.12 1n3g s ARG 96 Ca -0.13 0.90 0.06 0.00 -1.72 0.00 0.00 55.73 54.83 1n3g s ARG 96 Cb 0.01 -1.81 -0.01 0.00 -0.45 0.00 0.00 34.95 32.69 1n3g s ARG 96 CO 0.77 -2.23 -0.19 0.00 -0.68 0.00 0.00 175.30 172.97 1n3g s ALA 97 N -2.90 1.55 0.00 2.13 0.00 -1.26 -5.14 121.76 116.13 1n3g s ALA 97 Ca 0.63 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1n3g s ALA 97 Cb -0.18 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1n3g s ALA 97 CO 0.57 0.38 0.00 0.00 0.00 0.00 0.00 175.76 176.71 1n3g n ALA 98 N 2.64 0.00 -1.78 0.00 0.00 -1.26 -5.12 120.51 114.99 1n3g n ALA 98 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1n3g n ALA 98 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 1n3g n ALA 98 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1n3g s THR 99 N -1.33 2.11 -1.21 0.00 -1.32 -1.26 -4.87 115.64 107.77 1n3g s THR 99 Ca 0.00 0.11 -0.21 0.00 -1.21 0.00 0.00 61.69 60.38 1n3g s THR 99 Cb 0.00 -3.07 0.01 0.00 -1.51 0.00 0.00 72.50 67.93 1n3g s THR 99 CO 0.00 0.03 1.79 -0.55 -2.21 0.00 0.00 174.62 173.68 1n3g s SER 100 N -0.17 6.07 -0.17 8.08 0.15 -1.26 -4.66 113.70 121.74 1n3g s SER 100 Ca 0.52 -1.96 -0.15 0.00 0.70 0.00 0.00 55.95 55.07 1n3g s SER 100 Cb -0.46 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.22 1n3g s SER 100 CO 0.62 -1.97 -0.29 0.55 1.20 0.00 0.00 173.24 173.35 1n3g n VAL 101 N 7.03 1.47 -0.77 4.45 3.14 -1.26 -4.52 118.33 127.87 1n3g n VAL 101 Ca 0.45 0.17 -0.20 0.00 -2.96 0.00 0.00 64.34 61.80 1n3g n VAL 101 Cb 0.47 -2.36 0.09 0.00 -1.06 0.00 0.00 33.84 30.97 1n3g n VAL 101 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1n3g n LYS 102 N -4.51 1.98 -0.61 1.45 5.02 -1.26 -4.06 118.16 116.17 1n3g n LYS 102 Ca -0.12 -2.12 0.05 0.00 -2.02 0.00 0.00 58.31 54.11 1n3g n LYS 102 Cb 0.43 -1.83 0.09 0.00 -0.02 0.00 0.00 35.03 33.71 1n3g n LYS 102 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1n3g n ASP 103 N -0.38 1.30 -0.59 4.39 2.03 -1.26 -4.76 116.55 117.29 1n3g n ASP 103 Ca 0.41 -2.77 0.05 0.00 0.52 0.00 0.00 54.79 53.01 1n3g n ASP 103 Cb 0.96 -0.37 0.15 0.00 -0.72 0.00 0.00 41.12 41.15 1n3g n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n3g n ALA 104 N -0.58 2.45 0.61 -1.67 0.00 -1.26 -3.85 120.51 116.22 1n3g n ALA 104 Ca 0.10 -0.56 0.06 0.00 0.00 0.00 0.00 53.44 53.05 1n3g n ALA 104 Cb 0.78 -0.98 0.19 0.00 0.00 0.00 0.00 19.45 19.43 1n3g n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n3g n ASN 105 N 0.43 2.35 -2.95 0.00 4.13 -1.26 -4.87 115.26 113.08 1n3g n ASN 105 Ca 0.11 -2.05 0.00 0.00 1.68 0.00 0.00 54.58 54.32 1n3g n ASN 105 Cb 0.27 -0.31 0.00 0.00 -1.54 0.00 0.00 39.78 38.20 1n3g n ASN 105 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1n3g n PHE 106 N 0.68 0.00 -1.24 3.10 3.01 -1.25 -4.99 117.46 116.76 1n3g n PHE 106 Ca 0.14 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.27 1n3g n PHE 106 Cb 0.39 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.97 1n3g n PHE 106 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1n3g s VAL 107 N 0.00 2.49 0.00 -4.37 1.01 -1.26 -5.03 120.40 113.24 1n3g s VAL 107 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1n3g s VAL 107 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1n3g s VAL 107 CO 0.00 -0.17 0.00 -0.62 0.00 0.00 0.00 175.10 174.31 1n3g n GLU 108 N -3.21 0.00 -2.66 2.72 -0.58 -1.26 -4.84 120.64 110.80 1n3g n GLU 108 Ca 0.12 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.45 1n3g n GLU 108 Cb 0.51 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.35 1n3g n GLU 108 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1n3g s GLU 109 N 0.00 4.61 -0.48 3.49 2.12 -1.26 -5.00 118.70 122.19 1n3g s GLU 109 Ca 0.00 1.51 0.06 0.00 0.36 0.00 0.00 54.97 56.90 1n3g s GLU 109 Cb 0.00 -3.39 0.18 0.00 0.26 0.00 0.00 34.13 31.19 1n3g s GLU 109 CO 0.00 0.06 0.63 0.08 -0.54 0.00 0.00 175.26 175.49 1n3g s VAL 110 N 0.41 -0.75 -1.00 3.70 1.01 -1.26 -4.98 120.40 117.53 1n3g s VAL 110 Ca 0.50 -1.09 0.25 0.00 0.00 0.00 0.00 61.98 61.64 1n3g s VAL 110 Cb -0.24 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 35.93 1n3g s VAL 110 CO 0.30 -0.23 1.47 1.21 0.00 0.00 0.00 175.10 177.85 1n3g n GLU 111 N 3.24 0.00 -3.24 2.72 4.07 -1.26 -4.47 120.64 121.70 1n3g n GLU 111 Ca 0.18 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 57.04 1n3g n GLU 111 Cb 0.54 -1.50 -0.08 0.00 -0.06 0.00 0.00 31.44 30.34 1n3g n GLU 111 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1n3g n GLU 112 N -1.51 0.47 0.00 5.31 4.71 -1.26 -5.36 120.64 123.01 1n3g n GLU 112 Ca 0.06 -3.09 0.15 0.00 -0.01 0.00 0.00 57.16 54.26 1n3g n GLU 112 Cb 0.34 -1.43 0.87 0.00 -1.01 0.00 0.00 31.44 30.21 1n3g n GLU 112 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31