#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 -3.06 1.12 -1.04 -1.01 -5.01 114.28 105.27 1n3g n THR 2 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 1n3g n THR 2 Cb 0.00 -0.32 -0.03 0.00 -1.82 0.00 0.00 70.33 68.16 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 -1.00 0.62 -3.64 -2.82 0.00 -1.26 -4.65 117.12 104.36 1n3g n MET 3 Ca 0.00 -2.69 -0.36 0.00 0.00 0.00 0.00 57.70 54.66 1n3g n MET 3 Cb 0.00 -1.39 -0.08 0.00 0.00 0.00 0.00 33.22 31.75 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 -0.88 6.28 -0.12 6.12 0.02 -0.52 -5.05 114.94 120.79 1n3g s ASN 4 Ca 0.33 0.32 -0.05 0.00 -1.02 0.00 0.00 52.86 52.44 1n3g s ASN 4 Cb 0.15 -2.13 0.06 0.00 0.02 0.00 0.00 41.25 39.34 1n3g s ASN 4 CO -0.16 0.12 0.26 0.27 0.02 0.00 0.00 177.10 177.61 1n3g s ILE 5 N 0.55 -0.28 -0.25 0.60 -0.00 -1.26 -0.45 121.20 120.12 1n3g s ILE 5 Ca 0.11 0.24 -0.01 0.00 -0.00 0.00 0.00 60.65 60.99 1n3g s ILE 5 Cb -0.12 -0.42 0.08 0.00 -0.00 0.00 0.00 42.46 41.99 1n3g s ILE 5 CO 0.01 0.10 0.04 -0.89 -0.00 0.00 0.00 174.94 174.21 1n3g s THR 6 N 2.02 0.83 0.41 8.37 2.01 0.11 -4.89 115.64 124.51 1n3g s THR 6 Ca -0.02 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 60.99 1n3g s THR 6 Cb -0.11 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 1n3g s THR 6 CO -0.08 -0.37 0.62 -0.44 -0.69 0.00 0.00 174.62 173.65 1n3g s SER 7 N 1.68 5.95 0.00 3.53 0.01 -1.26 -4.22 113.70 119.39 1n3g s SER 7 Ca 0.02 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.54 1n3g s SER 7 Cb -0.17 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.46 1n3g s SER 7 CO -0.14 -0.57 0.00 1.17 0.41 0.00 0.00 173.24 174.10 1n3g n LYS 8 N -1.95 2.76 -0.08 12.44 4.81 -1.26 -4.69 118.16 130.19 1n3g n LYS 8 Ca -0.00 0.00 0.26 0.00 -0.87 0.00 0.00 58.31 57.69 1n3g n LYS 8 Cb 0.57 0.00 0.71 0.00 0.02 0.00 0.00 35.03 36.33 1n3g n LYS 8 CO 0.00 0.00 0.00 -0.56 1.17 0.00 0.00 177.40 178.01 1n3g h GLN 9 N 0.00 0.00 -6.81 1.64 -0.00 -1.95 -3.40 115.11 104.59 1n3g h GLN 9 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.65 58.15 1n3g h GLN 9 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.49 1n3g h GLN 9 CO 0.00 0.00 0.43 1.41 -0.00 0.00 0.00 178.83 180.67 1n3g s MET 10 N -4.75 4.66 -0.02 0.06 0.00 -1.26 -5.05 119.30 112.94 1n3g s MET 10 Ca -0.04 1.69 -0.02 0.00 0.00 0.00 0.00 55.69 57.31 1n3g s MET 10 Cb 0.18 -3.16 -0.04 0.00 0.00 0.00 0.00 34.83 31.82 1n3g s MET 10 CO 0.64 0.27 0.13 -1.21 0.00 0.00 0.00 175.02 174.86 1n3g s GLU 11 N -1.47 3.28 -0.42 4.11 2.02 -1.26 -4.55 118.70 120.41 1n3g s GLU 11 Ca 0.45 -0.37 -0.27 0.00 0.02 0.00 0.00 54.97 54.80 1n3g s GLU 11 Cb -0.29 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 1n3g s GLU 11 CO 0.37 0.68 2.07 0.42 0.02 0.00 0.00 175.26 178.82 1n3g s ILE 12 N -1.23 3.22 0.65 -1.63 -1.09 -1.26 -4.96 121.20 114.90 1n3g s ILE 12 Ca 0.24 0.18 -0.15 0.00 -2.23 0.00 0.00 60.65 58.70 1n3g s ILE 12 Cb -0.12 -3.40 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 1n3g s ILE 12 CO 0.15 -0.33 1.08 0.42 -1.23 0.00 0.00 174.94 175.03 1n3g s THR 13 N 9.19 3.54 0.41 2.92 -4.23 -1.26 -4.71 115.64 121.50 1n3g s THR 13 Ca 0.86 0.68 0.16 0.00 -1.18 0.00 0.00 61.69 62.21 1n3g s THR 13 Cb -0.21 -3.22 0.37 0.00 1.34 0.00 0.00 72.50 70.78 1n3g s THR 13 CO 0.29 -0.47 1.86 1.55 -0.54 0.00 0.00 174.62 177.31 1n3g h PRO 14 N 0.03 0.44 -0.33 3.99 0.13 -1.98 0.16 132.00 134.43 1n3g h PRO 14 Ca -0.46 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 1n3g h PRO 14 Cb 1.23 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1n3g h PRO 14 CO 0.55 0.29 -0.19 0.00 -0.23 0.00 0.00 178.00 178.42 1n3g h ALA 15 N 1.61 0.47 0.22 -0.56 0.00 -1.99 -2.00 119.26 117.02 1n3g h ALA 15 Ca 0.46 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1n3g h ALA 15 Cb 1.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1n3g h ALA 15 CO -0.18 0.41 -0.10 0.82 0.00 0.00 0.00 179.25 180.20 1n3g h ILE 16 N 0.49 0.80 -0.55 0.00 2.04 -1.47 -2.00 117.51 116.81 1n3g h ILE 16 Ca 0.07 -0.91 0.16 0.00 1.00 0.00 0.00 64.86 65.18 1n3g h ILE 16 Cb 0.74 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1n3g h ILE 16 CO 0.05 0.18 0.40 0.08 0.00 0.00 0.00 178.15 178.86 1n3g h ARG 17 N -0.81 0.00 -0.01 2.37 0.11 -0.85 0.73 114.38 115.93 1n3g h ARG 17 Ca -0.03 -0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.81 1n3g h ARG 17 Cb 0.51 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.60 1n3g h ARG 17 CO 0.05 0.00 -0.97 1.96 0.10 0.00 0.00 179.97 181.11 1n3g h GLN 18 N 0.00 0.52 0.75 0.08 1.08 -1.30 -1.56 115.11 114.68 1n3g h GLN 18 Ca 0.26 -0.55 -0.04 0.00 -1.45 0.00 0.00 58.65 56.87 1n3g h GLN 18 Cb 1.05 0.16 0.01 0.00 -0.05 0.00 0.00 27.48 28.64 1n3g h GLN 18 CO -0.00 1.18 -0.36 0.45 -0.95 0.00 0.00 178.83 179.15 1n3g h HIS 19 N 0.30 -0.93 -0.35 2.96 3.86 -0.10 -1.48 115.15 119.41 1n3g h HIS 19 Ca -0.09 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.05 1n3g h HIS 19 Cb 1.61 0.31 -0.02 0.00 1.06 0.00 0.00 27.41 30.37 1n3g h HIS 19 CO 0.07 -0.56 0.04 0.28 0.86 0.00 0.00 177.93 178.63 1n3g h VAL 20 N -1.17 1.18 0.07 2.45 2.07 -1.46 -2.49 116.25 116.90 1n3g h VAL 20 Ca -0.10 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1n3g h VAL 20 Cb 0.79 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1n3g h VAL 20 CO 0.17 0.24 -0.03 0.00 0.02 0.00 0.00 177.57 177.97 1n3g h ALA 21 N 1.54 -0.09 -0.60 1.67 0.00 -1.21 0.18 119.26 120.75 1n3g h ALA 21 Ca 0.11 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1n3g h ALA 21 Cb 0.27 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1n3g h ALA 21 CO 0.00 -0.55 0.40 0.22 0.00 0.00 0.00 179.25 179.32 1n3g h ASP 22 N -0.09 0.69 -0.47 0.00 3.58 -1.07 -1.85 116.42 117.21 1n3g h ASP 22 Ca -0.01 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 1n3g h ASP 22 Cb 0.07 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 1n3g h ASP 22 CO 0.01 0.51 0.18 0.03 -2.88 0.00 0.00 179.24 177.09 1n3g h ARG 23 N 0.82 0.71 -0.31 0.28 2.47 -1.21 -1.82 114.38 115.31 1n3g h ARG 23 Ca 0.22 -0.13 0.02 0.00 -1.26 0.00 0.00 59.98 58.82 1n3g h ARG 23 Cb -0.09 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.10 1n3g h ARG 23 CO -0.05 0.65 0.21 1.25 0.56 0.00 0.00 179.97 182.59 1n3g h LEU 24 N 0.62 0.31 -0.01 3.04 5.85 -0.30 0.20 115.31 125.02 1n3g h LEU 24 Ca 0.16 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1n3g h LEU 24 Cb 0.21 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1n3g h LEU 24 CO -0.01 0.22 -0.01 0.00 -0.34 0.00 0.00 178.44 178.29 1n3g h ALA 25 N 1.81 0.01 0.00 1.25 0.00 -0.87 -3.18 119.26 118.29 1n3g h ALA 25 Ca 0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1n3g h ALA 25 Cb 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1n3g h ALA 25 CO -0.03 -0.17 -0.13 -0.22 0.00 0.00 0.00 179.25 178.70 1n3g h LYS 26 N -0.58 0.00 0.00 0.00 3.64 -0.98 -2.32 116.57 116.33 1n3g h LYS 26 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1n3g h LYS 26 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1n3g h LYS 26 CO 0.00 0.13 0.00 -0.11 -2.27 0.00 0.00 179.45 177.21 1n3g n LEU 27 N -3.42 0.38 0.26 5.20 0.00 0.68 -2.46 117.00 117.63 1n3g n LEU 27 Ca -0.01 0.61 0.18 0.00 0.00 0.00 0.00 56.01 56.79 1n3g n LEU 27 Cb 0.31 -0.58 0.88 0.00 0.00 0.00 0.00 43.42 44.03 1n3g n LEU 27 CO 0.30 -0.51 1.02 1.05 0.00 0.00 0.00 177.39 179.26 1n3g h GLU 28 N 0.00 0.00 -0.92 1.96 -0.00 -1.49 -1.63 114.58 112.50 1n3g h GLU 28 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 59.36 58.99 1n3g h GLU 28 Cb 0.24 0.00 -0.22 0.00 -0.00 0.00 0.00 28.75 28.77 1n3g h GLU 28 CO 0.00 0.00 0.47 1.17 -0.00 0.00 0.00 179.01 180.65 1n3g n LYS 29 N -2.78 2.64 -0.55 1.06 3.00 -1.03 -4.24 118.16 116.26 1n3g n LYS 29 Ca -0.01 -2.76 0.08 0.00 -0.00 0.00 0.00 58.31 55.62 1n3g n LYS 29 Cb 0.12 -2.10 0.30 0.00 0.00 0.00 0.00 35.03 33.35 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 -0.67 1.26 -0.68 5.64 7.02 -0.61 -4.93 117.44 124.47 1n3g n TRP 30 Ca 0.48 -0.75 0.00 0.00 -1.02 0.00 0.00 57.50 56.21 1n3g n TRP 30 Cb 1.47 -0.32 0.00 0.00 -2.42 0.00 0.00 31.31 30.05 1n3g n TRP 30 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1n3g n GLN 31 N 0.17 -1.59 -2.51 -0.99 10.64 -1.26 -4.91 117.38 116.92 1n3g n GLN 31 Ca 0.22 0.30 -0.33 0.00 -1.83 0.00 0.00 57.00 55.37 1n3g n GLN 31 Cb 0.91 -4.23 -0.04 0.00 -0.86 0.00 0.00 30.24 26.02 1n3g n GLN 31 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1n3g s THR 32 N -0.75 4.28 -1.26 -0.39 2.01 -1.26 -4.98 115.64 113.29 1n3g s THR 32 Ca 0.00 1.25 0.12 0.00 0.31 0.00 0.00 61.69 63.37 1n3g s THR 32 Cb 0.00 -3.60 0.22 0.00 0.01 0.00 0.00 72.50 69.13 1n3g s THR 32 CO 0.00 -0.48 1.08 1.41 -0.69 0.00 0.00 174.62 175.95 1n3g n HIS 33 N -1.24 0.26 -1.16 4.92 8.25 -1.26 -5.03 115.22 119.96 1n3g n HIS 33 Ca 0.07 -0.25 -0.46 0.00 -0.26 0.00 0.00 57.72 56.82 1n3g n HIS 33 Cb 0.54 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.57 1n3g n HIS 33 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1n3g n LEU 34 N 0.64 0.04 -0.02 2.41 -0.00 -1.26 -4.73 117.00 114.09 1n3g n LEU 34 Ca 0.10 0.89 -0.02 0.00 -0.00 0.00 0.00 56.01 56.98 1n3g n LEU 34 Cb 0.37 -0.71 -0.02 0.00 -0.00 0.00 0.00 43.42 43.07 1n3g n LEU 34 CO 0.08 -1.42 -0.62 2.30 -0.00 0.00 0.00 177.39 177.73 1n3g n ILE 35 N 1.26 0.22 -3.64 1.47 -0.00 -1.03 0.69 119.36 118.33 1n3g n ILE 35 Ca 0.16 -0.10 -0.37 0.00 -0.00 0.00 0.00 62.75 62.44 1n3g n ILE 35 Cb 0.06 -0.73 -0.07 0.00 -0.00 0.00 0.00 39.64 38.90 1n3g n ILE 35 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 1n3g s ASN 36 N -4.06 5.88 -0.41 7.28 -0.87 -1.26 -2.41 114.94 119.09 1n3g s ASN 36 Ca -0.04 -3.50 -0.27 0.00 -1.57 0.00 0.00 52.86 47.48 1n3g s ASN 36 Cb 0.01 -1.91 0.02 0.00 -0.02 0.00 0.00 41.25 39.35 1n3g s ASN 36 CO 0.10 -0.24 1.01 -2.16 -2.57 0.00 0.00 177.10 173.24 1n3g s PRO 37 N -1.02 3.77 -0.36 -0.60 0.04 -1.26 -1.95 135.00 133.62 1n3g s PRO 37 Ca 0.25 0.55 -0.06 0.00 0.04 0.00 0.00 61.00 61.78 1n3g s PRO 37 Cb -0.10 -3.85 0.06 0.00 0.04 0.00 0.00 34.50 30.65 1n3g s PRO 37 CO -0.10 -1.13 0.14 -1.58 0.04 0.00 0.00 177.00 174.37 1n3g s HIS 38 N 3.85 3.33 -0.32 0.56 2.46 0.26 -1.44 115.29 123.98 1n3g s HIS 38 Ca 0.42 -1.68 -0.13 0.00 0.47 0.00 0.00 55.06 54.14 1n3g s HIS 38 Cb -0.10 -2.58 -0.03 0.00 -0.13 0.00 0.00 32.58 29.74 1n3g s HIS 38 CO 0.24 -0.81 0.26 0.42 -2.47 0.00 0.00 174.74 172.38 1n3g s ILE 39 N 1.34 5.26 -0.68 0.89 1.09 0.41 0.16 121.20 129.67 1n3g s ILE 39 Ca 0.01 -0.03 -0.01 0.00 -1.10 0.00 0.00 60.65 59.52 1n3g s ILE 39 Cb -0.21 -3.69 0.17 0.00 -1.06 0.00 0.00 42.46 37.67 1n3g s ILE 39 CO 0.01 0.04 0.50 -0.63 -0.10 0.00 0.00 174.94 174.76 1n3g s ILE 40 N 1.81 3.60 -0.60 2.92 1.09 -0.49 0.08 121.20 129.61 1n3g s ILE 40 Ca 0.08 -3.40 -0.19 0.00 -1.10 0.00 0.00 60.65 56.04 1n3g s ILE 40 Cb -0.17 -3.33 0.10 0.00 -1.06 0.00 0.00 42.46 38.00 1n3g s ILE 40 CO 0.11 -0.93 0.71 -0.22 -0.10 0.00 0.00 174.94 174.51 1n3g s LEU 41 N -0.58 5.38 -0.12 2.97 0.20 -1.26 -0.29 118.68 124.97 1n3g s LEU 41 Ca 0.20 -1.43 -0.02 0.00 0.69 0.00 0.00 54.13 53.57 1n3g s LEU 41 Cb -0.16 -2.30 -0.03 0.00 -0.43 0.00 0.00 46.19 43.27 1n3g s LEU 41 CO -0.06 -1.12 -0.05 -0.44 -0.29 0.00 0.00 176.35 174.38 1n3g s SER 42 N 3.63 4.73 -0.66 3.68 0.01 -1.01 -4.07 113.70 120.01 1n3g s SER 42 Ca 0.12 -0.09 -0.26 0.00 1.31 0.00 0.00 55.95 57.02 1n3g s SER 42 Cb -0.24 -1.57 0.04 0.00 0.21 0.00 0.00 66.02 64.46 1n3g s SER 42 CO 0.06 0.24 1.17 -0.75 0.41 0.00 0.00 173.24 174.37 1n3g s LYS 43 N -0.08 3.29 0.02 12.44 2.36 -1.26 -0.09 119.74 136.42 1n3g s LYS 43 Ca 0.01 -0.17 -0.13 0.00 -2.55 0.00 0.00 55.97 53.13 1n3g s LYS 43 Cb -0.13 -4.12 -0.06 0.00 -1.05 0.00 0.00 37.83 32.47 1n3g s LYS 43 CO 0.03 -1.88 0.39 -2.00 1.55 0.00 0.00 175.35 173.44 1n3g s GLU 44 N 5.06 3.85 0.36 4.03 2.12 -0.23 -4.94 118.70 128.94 1n3g s GLU 44 Ca 0.35 0.32 0.18 0.00 0.36 0.00 0.00 54.97 56.18 1n3g s GLU 44 Cb -0.10 -3.15 1.24 0.00 0.26 0.00 0.00 34.13 32.38 1n3g s GLU 44 CO 0.18 0.66 1.59 -1.35 -0.54 0.00 0.00 175.26 175.80 1n3g h PRO 45 N 4.44 0.05 -1.91 4.30 0.11 -2.01 0.11 132.00 137.08 1n3g h PRO 45 Ca -0.51 -0.00 -0.76 0.00 0.11 0.00 0.00 66.00 64.84 1n3g h PRO 45 Cb 1.21 -0.01 -0.27 0.00 0.11 0.00 0.00 31.00 32.04 1n3g h PRO 45 CO 0.63 0.03 1.02 0.94 -0.21 0.00 0.00 178.00 180.41 1n3g n GLN 46 N -5.26 2.76 0.00 1.05 7.27 -1.26 -5.00 117.38 116.94 1n3g n GLN 46 Ca 0.35 -3.52 0.00 0.00 0.07 0.00 0.00 57.00 53.90 1n3g n GLN 46 Cb 1.18 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 31.56 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 -0.57 1.50 3.74 1.69 0.00 0.38 -4.81 105.19 107.13 1n3g n GLY 47 Ca 0.54 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.82 3.76 -0.90 1.61 0.08 0.38 -1.06 117.98 120.03 1n3g s PHE 48 Ca 0.00 1.58 -0.02 0.00 0.12 0.00 0.00 56.93 58.60 1n3g s PHE 48 Cb 0.00 -2.89 0.22 0.00 -0.57 0.00 0.00 43.02 39.78 1n3g s PHE 48 CO 0.00 0.26 0.79 0.08 -0.10 0.00 0.00 175.22 176.25 1n3g s VAL 49 N -0.08 4.42 -0.75 -0.44 1.01 0.87 -2.49 120.40 122.95 1n3g s VAL 49 Ca 0.41 -3.82 -0.25 0.00 0.00 0.00 0.00 61.98 58.32 1n3g s VAL 49 Cb -0.21 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.47 1n3g s VAL 49 CO 0.25 -1.09 1.22 0.00 0.00 0.00 0.00 175.10 175.48 1n3g s ALA 50 N -1.31 2.85 -0.54 5.51 0.00 -0.48 -2.41 121.76 125.38 1n3g s ALA 50 Ca 0.27 -1.60 -0.07 0.00 0.00 0.00 0.00 51.96 50.56 1n3g s ALA 50 Cb -0.08 -4.18 0.14 0.00 0.00 0.00 0.00 23.12 19.00 1n3g s ALA 50 CO -0.12 -3.19 0.39 -0.51 0.00 0.00 0.00 175.76 172.33 1n3g s ASP 51 N 3.84 5.62 0.22 0.00 1.11 0.60 0.14 116.67 128.20 1n3g s ASP 51 Ca 0.33 -2.26 -0.00 0.00 0.18 0.00 0.00 52.55 50.79 1n3g s ASP 51 Cb -0.09 -1.96 -0.04 0.00 1.07 0.00 0.00 42.92 41.90 1n3g s ASP 51 CO 0.11 -0.57 0.41 0.00 1.18 0.00 0.00 175.17 176.30 1n3g s ALA 52 N 0.82 3.81 -0.22 5.23 0.00 0.26 -1.39 121.76 130.28 1n3g s ALA 52 Ca 0.10 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 1n3g s ALA 52 Cb -0.22 -2.01 0.09 0.00 0.00 0.00 0.00 23.12 20.98 1n3g s ALA 52 CO -0.03 0.36 0.18 0.95 0.00 0.00 0.00 175.76 177.22 1n3g s THR 53 N -1.94 -0.23 -0.27 0.00 -4.23 0.44 0.86 115.64 110.27 1n3g s THR 53 Ca 0.39 -0.26 -0.08 0.00 -1.18 0.00 0.00 61.69 60.55 1n3g s THR 53 Cb -0.11 -0.73 -0.02 0.00 1.34 0.00 0.00 72.50 72.99 1n3g s THR 53 CO 0.30 -0.33 0.10 0.27 -0.54 0.00 0.00 174.62 174.42 1n3g s ILE 54 N 2.25 4.39 -0.78 2.99 -4.36 -0.52 0.91 121.20 126.08 1n3g s ILE 54 Ca 0.06 -0.30 -0.24 0.00 -0.26 0.00 0.00 60.65 59.91 1n3g s ILE 54 Cb -0.16 -3.14 -0.18 0.00 1.25 0.00 0.00 42.46 40.24 1n3g s ILE 54 CO -0.17 0.22 1.89 -3.20 0.24 0.00 0.00 174.94 173.92 1n3g n ASN 55 N 4.94 2.38 -4.92 4.36 4.05 -0.82 -1.30 115.26 123.95 1n3g n ASN 55 Ca -0.15 -2.65 -0.27 0.00 0.45 0.00 0.00 54.58 51.96 1n3g n ASN 55 Cb 0.50 -1.21 -0.02 0.00 1.23 0.00 0.00 39.78 40.28 1n3g n ASN 55 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1n3g s THR 56 N 7.37 5.07 0.58 -0.44 -1.32 -1.26 -2.46 115.64 123.20 1n3g s THR 56 Ca 0.63 -0.19 0.29 0.00 -1.21 0.00 0.00 61.69 61.21 1n3g s THR 56 Cb 0.10 -3.79 0.39 0.00 -1.51 0.00 0.00 72.50 67.69 1n3g s THR 56 CO 0.16 -0.42 1.92 1.55 -2.21 0.00 0.00 174.62 175.62 1n3g h PRO 57 N 1.30 0.00 -1.19 7.08 0.13 -1.90 -0.27 132.00 137.14 1n3g h PRO 57 Ca -0.48 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.18 1n3g h PRO 57 Cb 1.20 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 1n3g h PRO 57 CO 0.64 0.00 0.60 0.27 -0.23 0.00 0.00 178.00 179.28 1n3g n ASN 58 N -3.78 6.08 -0.03 1.44 0.23 -1.26 -4.54 115.26 113.40 1n3g n ASN 58 Ca 0.08 -3.35 0.00 0.00 -0.53 0.00 0.00 54.58 50.78 1n3g n ASN 58 Cb 0.65 -0.94 0.00 0.00 -2.08 0.00 0.00 39.78 37.41 1n3g n ASN 58 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n3g n GLY 59 N -0.39 -2.93 3.52 4.83 0.00 -0.11 -4.73 105.19 105.37 1n3g n GLY 59 Ca 0.45 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 1n3g n GLY 59 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n3g n VAL 60 N -1.21 -0.03 -2.07 1.61 0.31 -1.26 -4.09 118.33 111.59 1n3g n VAL 60 Ca 0.00 -0.37 -0.42 0.00 -0.01 0.00 0.00 64.34 63.54 1n3g n VAL 60 Cb 0.00 -1.57 -0.03 0.00 -0.91 0.00 0.00 33.84 31.34 1n3g n VAL 60 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1n3g s LEU 61 N 10.40 4.27 -0.39 7.52 2.01 -0.42 -4.73 118.68 137.34 1n3g s LEU 61 Ca 1.18 2.12 -0.19 0.00 0.01 0.00 0.00 54.13 57.26 1n3g s LEU 61 Cb -0.76 -3.53 0.01 0.00 0.01 0.00 0.00 46.19 41.91 1n3g s LEU 61 CO 0.39 -0.93 0.54 -0.69 1.01 0.00 0.00 176.35 176.68 1n3g s VAL 62 N 4.06 4.96 -0.63 -1.59 1.01 -1.26 -1.44 120.40 125.52 1n3g s VAL 62 Ca 0.71 0.13 -0.19 0.00 0.00 0.00 0.00 61.98 62.62 1n3g s VAL 62 Cb -0.31 -4.07 0.11 0.00 0.00 0.00 0.00 36.38 32.11 1n3g s VAL 62 CO 0.28 -0.39 0.76 0.00 0.00 0.00 0.00 175.10 175.74 1n3g s ALA 63 N 2.49 3.40 -0.31 5.51 0.00 0.25 -4.73 121.76 128.37 1n3g s ALA 63 Ca 0.19 -2.25 -0.13 0.00 0.00 0.00 0.00 51.96 49.76 1n3g s ALA 63 Cb -0.15 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 1n3g s ALA 63 CO 0.15 -2.44 0.28 -1.12 0.00 0.00 0.00 175.76 172.63 1n3g s SER 64 N 3.59 6.11 -0.48 0.00 0.01 -1.22 0.92 113.70 122.61 1n3g s SER 64 Ca 0.14 -0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.27 1n3g s SER 64 Cb -0.22 -2.16 0.12 0.00 0.21 0.00 0.00 66.02 63.98 1n3g s SER 64 CO 0.05 -0.20 0.22 -0.83 0.41 0.00 0.00 173.24 172.89 1n3g s GLY 65 N 1.73 2.32 -0.40 3.44 0.00 0.37 -3.84 107.32 110.93 1n3g s GLY 65 Ca 0.09 -3.08 -0.15 0.00 0.00 0.00 0.00 44.72 41.58 1n3g s GLY 65 CO 0.11 1.00 0.30 1.25 0.00 0.00 0.00 173.10 175.76 1n3g s LYS 66 N 0.05 3.04 0.16 2.90 2.47 -1.25 -1.38 119.74 125.73 1n3g s LYS 66 Ca 0.15 -0.96 -0.19 0.00 -1.56 0.00 0.00 55.97 53.41 1n3g s LYS 66 Cb -0.24 -3.96 0.04 0.00 -1.46 0.00 0.00 37.83 32.22 1n3g s LYS 66 CO -0.02 -0.72 0.51 -1.58 0.16 0.00 0.00 175.35 173.70 1n3g s HIS 67 N 1.70 -0.27 0.08 4.03 2.46 -1.04 -4.94 115.29 117.31 1n3g s HIS 67 Ca 0.05 -0.03 -0.15 0.00 0.47 0.00 0.00 55.06 55.41 1n3g s HIS 67 Cb -0.19 0.40 -0.16 0.00 -0.13 0.00 0.00 32.58 32.51 1n3g s HIS 67 CO 0.10 -0.83 1.28 0.93 -2.47 0.00 0.00 174.74 173.76 1n3g h GLU 68 N 2.19 0.68 -6.52 2.88 5.08 -1.89 1.09 114.58 118.09 1n3g h GLU 68 Ca -0.32 -0.53 -0.51 0.00 -1.00 0.00 0.00 59.36 57.00 1n3g h GLU 68 Cb 1.27 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1n3g h GLU 68 CO 0.40 1.15 -0.13 -0.51 -1.00 0.00 0.00 179.01 178.93 1n3g s ASP 69 N -6.88 6.43 0.01 1.42 1.01 -1.26 -4.44 116.67 112.97 1n3g s ASP 69 Ca -0.12 0.71 -0.14 0.00 0.71 0.00 0.00 52.55 53.71 1n3g s ASP 69 Cb 0.07 -2.14 -0.08 0.00 1.01 0.00 0.00 42.92 41.78 1n3g s ASP 69 CO 0.87 -0.23 0.99 -0.03 0.21 0.00 0.00 175.17 176.98 1n3g h MET 70 N 1.52 -0.50 -0.90 8.23 1.85 -1.99 -2.12 114.93 121.02 1n3g h MET 70 Ca -0.48 0.03 0.14 0.00 -0.61 0.00 0.00 59.70 58.79 1n3g h MET 70 Cb 1.19 0.11 -0.09 0.00 0.43 0.00 0.00 31.60 33.24 1n3g h MET 70 CO 0.65 -0.33 0.50 1.88 -0.40 0.00 0.00 176.91 179.21 1n3g h TYR 71 N -0.63 0.90 -0.23 1.39 0.05 -1.97 0.15 116.97 116.63 1n3g h TYR 71 Ca -0.05 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 1n3g h TYR 71 Cb 0.40 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 1n3g h TYR 71 CO 0.09 0.26 -0.00 1.79 -1.05 0.00 0.00 178.16 179.24 1n3g h THR 72 N 0.73 1.15 0.78 -2.88 1.35 -1.98 -1.99 112.91 110.06 1n3g h THR 72 Ca 0.48 -0.57 -0.04 0.00 -0.55 0.00 0.00 66.41 65.74 1n3g h THR 72 Cb 0.63 0.98 0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1n3g h THR 72 CO -0.34 0.19 -0.37 0.00 -0.25 0.00 0.00 175.52 174.75 1n3g h ALA 73 N 1.68 -1.17 -0.12 6.62 0.00 0.01 -0.76 119.26 125.52 1n3g h ALA 73 Ca 0.08 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1n3g h ALA 73 Cb 0.23 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1n3g h ALA 73 CO 0.01 -1.10 0.14 -0.84 0.00 0.00 0.00 179.25 177.46 1n3g h ILE 74 N -1.14 0.50 -0.00 0.00 -2.65 -1.39 0.91 117.51 113.74 1n3g h ILE 74 Ca -0.11 0.00 -0.18 0.00 1.03 0.00 0.00 64.86 65.60 1n3g h ILE 74 Cb 0.80 0.89 -0.02 0.00 -2.05 0.00 0.00 36.82 36.44 1n3g h ILE 74 CO 0.18 0.00 -0.83 0.78 0.03 0.00 0.00 178.15 178.30 1n3g h ASN 75 N 0.00 0.18 -0.15 2.16 2.35 -1.12 -2.76 115.58 116.23 1n3g h ASN 75 Ca 0.06 -0.14 -0.20 0.00 -0.55 0.00 0.00 56.30 55.47 1n3g h ASN 75 Cb 0.33 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.66 1n3g h ASN 75 CO -0.00 0.93 -0.67 -0.33 -1.65 0.00 0.00 177.43 175.71 1n3g h GLU 76 N 0.08 0.73 -0.46 0.81 4.39 0.68 -2.55 114.58 118.26 1n3g h GLU 76 Ca -0.03 -0.58 -0.06 0.00 0.34 0.00 0.00 59.36 59.04 1n3g h GLU 76 Cb 1.45 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 30.19 1n3g h GLU 76 CO 0.12 1.19 0.07 1.37 -1.16 0.00 0.00 179.01 180.60 1n3g h LEU 77 N 0.43 0.73 -0.99 1.33 8.10 -1.39 -1.02 115.31 122.49 1n3g h LEU 77 Ca -0.04 -0.26 -0.05 0.00 0.11 0.00 0.00 57.88 57.63 1n3g h LEU 77 Cb 1.30 -0.19 -0.03 0.00 -0.44 0.00 0.00 40.66 41.30 1n3g h LEU 77 CO 0.14 0.81 0.13 -0.29 -4.11 0.00 0.00 178.44 175.11 1n3g h ILE 78 N 0.62 1.23 0.19 0.15 -0.00 -1.54 -2.17 117.51 116.00 1n3g h ILE 78 Ca 0.14 -0.84 -0.01 0.00 -0.00 0.00 0.00 64.86 64.15 1n3g h ILE 78 Cb 0.39 0.67 0.00 0.00 -0.00 0.00 0.00 36.82 37.89 1n3g h ILE 78 CO 0.01 0.31 -0.09 -1.13 -0.00 0.00 0.00 178.15 177.25 1n3g h ASN 79 N 0.82 -0.21 -0.56 2.19 -1.24 -1.24 -2.35 115.58 112.99 1n3g h ASN 79 Ca 0.18 -0.29 0.10 0.00 0.71 0.00 0.00 56.30 57.01 1n3g h ASN 79 Cb 0.31 0.06 -0.08 0.00 0.73 0.00 0.00 38.32 39.33 1n3g h ASN 79 CO 0.00 0.21 0.09 0.11 -1.29 0.00 0.00 177.43 176.55 1n3g h LYS 80 N -0.68 0.21 -0.63 6.67 1.57 -1.14 -0.12 116.57 122.45 1n3g h LYS 80 Ca -0.03 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1n3g h LYS 80 Cb 0.49 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1n3g h LYS 80 CO 0.04 0.14 0.30 -0.07 -0.57 0.00 0.00 179.45 179.29 1n3g h LEU 81 N 0.21 0.80 -0.00 2.94 3.38 -1.43 -2.24 115.31 118.96 1n3g h LEU 81 Ca 0.29 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1n3g h LEU 81 Cb 0.42 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1n3g h LEU 81 CO -0.40 0.68 -0.40 -0.08 0.09 0.00 0.00 178.44 178.33 1n3g h GLU 82 N 0.88 -0.53 0.20 1.13 4.81 -0.45 1.13 114.58 121.75 1n3g h GLU 82 Ca 0.22 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1n3g h GLU 82 Cb 0.09 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1n3g h GLU 82 CO -0.03 -0.35 -0.09 0.00 -0.73 0.00 0.00 179.01 177.80 1n3g h ARG 83 N -0.55 -0.25 -0.82 1.92 2.47 -1.32 -2.75 114.38 113.07 1n3g h ARG 83 Ca 0.05 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.86 1n3g h ARG 83 Cb 0.63 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.95 1n3g h ARG 83 CO -0.31 -0.16 0.49 1.96 0.56 0.00 0.00 179.97 182.52 1n3g h GLN 84 N -0.28 0.86 0.09 0.04 4.20 -1.08 -2.79 115.11 116.17 1n3g h GLN 84 Ca -0.03 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1n3g h GLN 84 Cb 0.21 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 1n3g h GLN 84 CO 0.04 0.57 -0.47 -0.07 -0.67 0.00 0.00 178.83 178.23 1n3g h LEU 85 N 0.89 -1.42 -0.43 1.46 3.38 0.16 0.66 115.31 120.01 1n3g h LEU 85 Ca 0.37 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.57 1n3g h LEU 85 Cb 0.21 0.52 -0.09 0.00 0.09 0.00 0.00 40.66 41.40 1n3g h LEU 85 CO -0.19 -0.49 -0.32 0.78 0.09 0.00 0.00 178.44 178.31 1n3g h ASN 86 N -0.66 -1.07 -0.57 -0.43 2.35 -1.29 1.08 115.58 114.99 1n3g h ASN 86 Ca -0.00 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1n3g h ASN 86 Cb 0.67 0.51 -0.03 0.00 0.05 0.00 0.00 38.32 39.52 1n3g h ASN 86 CO -0.26 -0.31 0.37 0.11 -1.65 0.00 0.00 177.43 175.69 1n3g h LYS 87 N -0.23 0.76 0.00 0.81 1.79 -1.21 0.83 116.57 119.32 1n3g h LYS 87 Ca 0.18 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1n3g h LYS 87 Cb 0.53 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1n3g h LYS 87 CO -0.55 0.51 0.00 -0.11 -1.08 0.00 0.00 179.45 178.22 1n3g n LEU 88 N -4.68 0.11 0.09 2.94 -0.00 0.23 -2.49 117.00 113.20 1n3g n LEU 88 Ca 0.04 0.52 0.09 0.00 -0.00 0.00 0.00 56.01 56.66 1n3g n LEU 88 Cb 0.03 -0.50 -0.02 0.00 -0.00 0.00 0.00 43.42 42.93 1n3g n LEU 88 CO 0.35 -0.22 -0.03 -0.61 -0.00 0.00 0.00 177.39 176.88 1n3g h GLN 89 N 0.00 0.00 -4.60 1.96 5.75 0.35 -3.35 115.11 115.22 1n3g h GLN 89 Ca 0.00 0.00 -0.47 0.00 -0.15 0.00 0.00 58.65 58.03 1n3g h GLN 89 Cb 0.35 0.00 0.09 0.00 1.07 0.00 0.00 27.48 28.99 1n3g h GLN 89 CO 0.00 0.06 1.55 -2.39 -2.65 0.00 0.00 178.83 175.41 1n3g n HIS 90 N -2.73 0.44 -2.60 3.99 1.44 -0.59 -3.94 115.22 111.24 1n3g n HIS 90 Ca -0.02 -0.84 -0.01 0.00 -2.01 0.00 0.00 57.72 54.84 1n3g n HIS 90 Cb 0.61 -0.96 0.00 0.00 0.12 0.00 0.00 29.99 29.76 1n3g n HIS 90 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1n3g n LYS 91 N 6.97 -1.02 0.00 -1.40 3.00 -1.26 -5.02 118.16 119.43 1n3g n LYS 91 Ca 0.38 1.26 0.00 0.00 -0.00 0.00 0.00 58.31 59.95 1n3g n LYS 91 Cb 0.31 -4.55 0.00 0.00 0.00 0.00 0.00 35.03 30.80 1n3g n LYS 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1n3g n GLY 92 N -1.43 -2.13 0.03 3.14 0.00 -1.25 -4.92 105.19 98.63 1n3g n GLY 92 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 1.61 -0.00 -1.26 -5.11 120.64 115.88 1n3g n GLU 93 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1n3g n GLU 93 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 31.44 31.39 1n3g n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n3g n ALA 94 N -1.52 0.00 -3.68 -1.84 0.00 -1.26 -5.13 120.51 107.08 1n3g n ALA 94 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1n3g n ALA 94 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1n3g n ALA 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1n3g s ARG 95 N -0.88 0.21 0.24 0.00 0.52 -1.26 -5.16 118.95 112.63 1n3g s ARG 95 Ca 0.00 0.73 -0.09 0.00 -0.52 0.00 0.00 55.73 55.85 1n3g s ARG 95 Cb 0.00 -0.01 -0.07 0.00 0.52 0.00 0.00 34.95 35.39 1n3g s ARG 95 CO 0.00 -0.23 0.56 -0.98 0.02 0.00 0.00 175.30 174.66 1n3g s ARG 96 N 2.01 3.78 0.63 3.54 3.03 -1.26 -5.10 118.95 125.57 1n3g s ARG 96 Ca -0.03 0.24 -0.02 0.00 2.03 0.00 0.00 55.73 57.94 1n3g s ARG 96 Cb -0.11 -2.64 0.05 0.00 -1.03 0.00 0.00 34.95 31.22 1n3g s ARG 96 CO -0.10 0.29 0.89 0.00 -1.13 0.00 0.00 175.30 175.26 1n3g s ALA 97 N -1.87 3.57 0.63 7.88 0.00 -1.26 -5.11 121.76 125.59 1n3g s ALA 97 Ca 0.47 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1n3g s ALA 97 Cb -0.11 -2.29 0.10 0.00 0.00 0.00 0.00 23.12 20.82 1n3g s ALA 97 CO 0.23 -1.04 0.86 0.00 0.00 0.00 0.00 175.76 175.81 1n3g s ALA 98 N -3.00 4.30 1.00 0.00 0.00 -1.26 -5.12 121.76 117.69 1n3g s ALA 98 Ca 0.59 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1n3g s ALA 98 Cb -0.10 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1n3g s ALA 98 CO 0.41 -1.07 0.00 -2.37 0.00 0.00 0.00 175.76 172.73 1n3g n THR 99 N -2.46 0.00 -2.02 0.00 5.66 -1.26 -4.86 114.28 109.34 1n3g n THR 99 Ca 0.15 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.89 1n3g n THR 99 Cb 0.61 -1.54 -0.05 0.00 -1.55 0.00 0.00 70.33 67.79 1n3g n THR 99 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1n3g s SER 100 N -1.23 5.06 0.00 1.09 0.01 -1.26 -4.75 113.70 112.62 1n3g s SER 100 Ca 0.00 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1n3g s SER 100 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1n3g s SER 100 CO 0.00 -2.83 0.00 0.55 0.41 0.00 0.00 173.24 171.37 1n3g n VAL 101 N 7.93 0.00 0.05 3.43 3.14 -1.26 -4.67 118.33 126.96 1n3g n VAL 101 Ca 0.41 0.28 0.07 0.00 -2.96 0.00 0.00 64.34 62.14 1n3g n VAL 101 Cb 0.47 -1.20 -0.06 0.00 -1.06 0.00 0.00 33.84 31.99 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 -1.92 0.62 0.13 1.45 4.76 -1.26 -4.40 118.16 117.54 1n3g n LYS 102 Ca 0.00 0.10 -0.14 0.00 -2.87 0.00 0.00 58.31 55.39 1n3g n LYS 102 Cb 0.00 -1.76 -0.08 0.00 -1.84 0.00 0.00 35.03 31.35 1n3g n LYS 102 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1n3g h ASP 103 N 0.00 -1.30 -4.23 4.39 1.82 -1.91 -3.43 116.42 111.77 1n3g h ASP 103 Ca -0.08 0.13 -0.52 0.00 -0.39 0.00 0.00 57.03 56.17 1n3g h ASP 103 Cb 1.24 0.47 0.16 0.00 0.68 0.00 0.00 39.33 41.87 1n3g h ASP 103 CO 0.02 -0.49 0.33 0.00 -1.61 0.00 0.00 179.24 177.48 1n3g s ALA 104 N -5.39 1.98 -1.03 -0.78 0.00 -1.26 -4.93 121.76 110.34 1n3g s ALA 104 Ca -0.14 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 1n3g s ALA 104 Cb 0.05 -3.42 0.15 0.00 0.00 0.00 0.00 23.12 19.90 1n3g s ALA 104 CO 0.51 -2.07 1.23 -0.80 0.00 0.00 0.00 175.76 174.63 1n3g s ASN 105 N -2.47 6.81 -0.17 0.00 0.01 -1.26 -4.96 114.94 112.90 1n3g s ASN 105 Ca 0.69 -2.45 -0.29 0.00 -0.71 0.00 0.00 52.86 50.10 1n3g s ASN 105 Cb -0.25 -2.39 -0.00 0.00 0.41 0.00 0.00 41.25 39.02 1n3g s ASN 105 CO 0.50 -0.91 1.08 -0.36 -1.51 0.00 0.00 177.10 175.90 1n3g s PHE 106 N 2.12 3.29 0.50 2.20 0.40 -1.26 -5.03 117.98 120.19 1n3g s PHE 106 Ca 0.36 1.40 -0.07 0.00 -0.60 0.00 0.00 56.93 58.02 1n3g s PHE 106 Cb -0.04 -3.30 -0.04 0.00 0.51 0.00 0.00 43.02 40.15 1n3g s PHE 106 CO -0.06 -0.69 0.83 0.08 0.70 0.00 0.00 175.22 176.07 1n3g s VAL 107 N 2.82 4.86 0.00 -0.44 1.01 -1.26 -5.09 120.40 122.31 1n3g s VAL 107 Ca 0.48 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1n3g s VAL 107 Cb -0.18 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1n3g s VAL 107 CO 0.12 -0.86 0.00 -0.62 0.00 0.00 0.00 175.10 173.74 1n3g n GLU 108 N -2.22 0.00 -1.70 2.72 1.02 -1.26 -4.84 120.64 114.36 1n3g n GLU 108 Ca 0.02 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.77 1n3g n GLU 108 Cb 0.55 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 32.01 1n3g n GLU 108 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1n3g n GLU 109 N 0.00 1.46 0.00 3.49 4.07 -1.26 -4.95 120.64 123.45 1n3g n GLU 109 Ca 0.00 0.54 0.00 0.00 -0.06 0.00 0.00 57.16 57.64 1n3g n GLU 109 Cb 0.00 -2.43 0.00 0.00 -0.06 0.00 0.00 31.44 28.95 1n3g n GLU 109 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 1n3g n VAL 110 N -1.17 0.00 -1.21 6.31 3.14 -1.26 -5.00 118.33 119.14 1n3g n VAL 110 Ca 0.11 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.20 1n3g n VAL 110 Cb 0.45 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.29 1n3g n VAL 110 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1n3g n GLU 111 N 0.00 2.39 -0.09 1.45 2.13 -1.26 -4.26 120.64 120.99 1n3g n GLU 111 Ca 0.00 -2.70 -0.15 0.00 0.66 0.00 0.00 57.16 54.97 1n3g n GLU 111 Cb 0.00 -2.06 -0.08 0.00 0.27 0.00 0.00 31.44 29.57 1n3g n GLU 111 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1n3g n GLU 112 N -0.43 0.43 0.00 5.31 4.71 -1.26 -5.34 120.64 124.06 1n3g n GLU 112 Ca 0.51 0.13 0.15 0.00 -0.01 0.00 0.00 57.16 57.94 1n3g n GLU 112 Cb 0.61 -1.29 0.89 0.00 -1.01 0.00 0.00 31.44 30.64 1n3g n GLU 112 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37