#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 -2.70 2.03 5.66 -1.01 -5.01 114.28 113.25 1n3g n THR 2 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1n3g n THR 2 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 1n3g n THR 2 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 1n3g s MET 3 N 0.00 0.13 -0.40 1.09 -2.45 -1.26 -4.88 119.30 111.53 1n3g s MET 3 Ca 0.00 -0.08 -0.15 0.00 -1.25 0.00 0.00 55.69 54.21 1n3g s MET 3 Cb 0.00 0.01 0.01 0.00 1.25 0.00 0.00 34.83 36.10 1n3g s MET 3 CO 0.00 -0.17 0.32 -0.80 1.05 0.00 0.00 175.02 175.41 1n3g s ASN 4 N 1.57 6.12 -0.17 1.11 0.01 -0.43 -5.01 114.94 118.13 1n3g s ASN 4 Ca 0.18 -0.78 0.01 0.00 -0.71 0.00 0.00 52.86 51.56 1n3g s ASN 4 Cb 0.08 -2.17 0.03 0.00 0.41 0.00 0.00 41.25 39.60 1n3g s ASN 4 CO -0.14 -0.44 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.23 1n3g s ILE 5 N 1.77 1.77 -0.53 0.60 1.01 -1.26 0.10 121.20 124.66 1n3g s ILE 5 Ca 0.07 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.93 1n3g s ILE 5 Cb -0.18 -1.68 0.19 0.00 0.01 0.00 0.00 42.46 40.80 1n3g s ILE 5 CO 0.11 0.41 0.46 0.41 0.00 0.00 0.00 174.94 176.33 1n3g n THR 6 N 4.69 0.14 -2.65 2.92 -1.04 -0.59 -4.95 114.28 112.80 1n3g n THR 6 Ca -0.18 -4.16 -0.40 0.00 -2.04 0.00 0.00 64.05 57.27 1n3g n THR 6 Cb 0.49 -1.91 -0.05 0.00 -1.82 0.00 0.00 70.33 67.04 1n3g n THR 6 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1n3g s SER 7 N -0.88 7.49 -0.11 8.00 0.01 -1.26 -4.36 113.70 122.59 1n3g s SER 7 Ca 0.32 2.05 -0.14 0.00 1.31 0.00 0.00 55.95 59.48 1n3g s SER 7 Cb 0.05 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 1n3g s SER 7 CO -0.16 0.02 0.35 -0.75 0.41 0.00 0.00 173.24 173.11 1n3g s LYS 8 N -1.12 4.15 -1.01 12.44 2.20 -1.23 -4.37 119.74 130.80 1n3g s LYS 8 Ca 0.43 0.23 -0.13 0.00 -0.36 0.00 0.00 55.97 56.14 1n3g s LYS 8 Cb -0.28 -3.37 0.13 0.00 -1.51 0.00 0.00 37.83 32.80 1n3g s LYS 8 CO 0.35 0.36 0.32 0.00 -0.36 0.00 0.00 175.35 176.01 1n3g n GLN 9 N 3.11 -1.32 -3.65 4.03 -0.00 -1.26 -3.59 117.38 114.70 1n3g n GLN 9 Ca -0.12 0.07 -0.09 0.00 -0.00 0.00 0.00 57.00 56.87 1n3g n GLN 9 Cb 0.52 -3.60 -0.07 0.00 -0.00 0.00 0.00 30.24 27.09 1n3g n GLN 9 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 1n3g s MET 10 N -5.22 0.69 0.61 2.61 0.00 -1.26 -4.55 119.30 112.18 1n3g s MET 10 Ca 0.45 1.13 0.00 0.00 0.00 0.00 0.00 55.69 57.27 1n3g s MET 10 Cb -0.26 0.17 0.12 0.00 0.00 0.00 0.00 34.83 34.86 1n3g s MET 10 CO 0.55 -0.14 0.84 -0.85 0.00 0.00 0.00 175.02 175.42 1n3g n GLU 11 N 4.03 0.02 -3.68 4.11 0.28 -1.26 -4.57 120.64 119.57 1n3g n GLU 11 Ca -0.19 -2.31 -0.37 0.00 -0.16 0.00 0.00 57.16 54.12 1n3g n GLU 11 Cb 0.58 -0.55 -0.12 0.00 1.43 0.00 0.00 31.44 32.78 1n3g n GLU 11 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1n3g s ILE 12 N -2.56 4.78 0.25 3.84 -1.09 -1.26 -5.06 121.20 120.10 1n3g s ILE 12 Ca 0.56 -0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.98 1n3g s ILE 12 Cb -0.03 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 1n3g s ILE 12 CO 0.37 0.30 0.42 0.42 -1.23 0.00 0.00 174.94 175.22 1n3g s THR 13 N 1.65 5.19 0.28 2.92 -4.23 -1.26 -4.87 115.64 115.32 1n3g s THR 13 Ca 0.07 -0.53 0.02 0.00 -1.18 0.00 0.00 61.69 60.06 1n3g s THR 13 Cb -0.15 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.16 1n3g s THR 13 CO 0.07 -0.30 1.72 1.55 -0.54 0.00 0.00 174.62 177.12 1n3g h PRO 14 N 1.51 0.48 -0.31 3.99 0.13 -1.98 0.33 132.00 136.14 1n3g h PRO 14 Ca -0.49 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.54 1n3g h PRO 14 Cb 1.21 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1n3g h PRO 14 CO 0.65 0.32 -0.11 0.00 -0.23 0.00 0.00 178.00 178.63 1n3g h ALA 15 N 1.64 1.25 0.04 -0.56 0.00 -2.00 -2.57 119.26 117.07 1n3g h ALA 15 Ca 0.52 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1n3g h ALA 15 Cb 0.89 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1n3g h ALA 15 CO -0.46 0.49 -0.02 0.82 0.00 0.00 0.00 179.25 180.09 1n3g h ILE 16 N 0.48 1.04 -1.03 0.00 2.04 -1.21 -2.46 117.51 116.36 1n3g h ILE 16 Ca 0.09 -1.65 0.26 0.00 1.00 0.00 0.00 64.86 64.56 1n3g h ILE 16 Cb 0.47 1.91 -0.10 0.00 -0.74 0.00 0.00 36.82 38.36 1n3g h ILE 16 CO 0.03 0.33 0.65 0.08 0.00 0.00 0.00 178.15 179.24 1n3g h ARG 17 N -0.96 0.44 0.07 2.37 0.11 -0.52 0.71 114.38 116.59 1n3g h ARG 17 Ca -0.00 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 1n3g h ARG 17 Cb 0.58 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1n3g h ARG 17 CO 0.01 0.29 -0.03 0.37 0.10 0.00 0.00 179.97 180.70 1n3g h GLN 18 N 0.45 -0.09 0.41 0.08 5.75 -1.56 -2.22 115.11 117.93 1n3g h GLN 18 Ca 0.61 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 59.10 1n3g h GLN 18 Cb 1.43 0.02 0.00 0.00 1.07 0.00 0.00 27.48 30.01 1n3g h GLN 18 CO -0.35 0.49 -0.20 1.25 -2.65 0.00 0.00 178.83 177.37 1n3g h HIS 19 N -0.85 -0.52 -0.53 3.99 2.76 -0.79 0.28 115.15 119.49 1n3g h HIS 19 Ca -0.01 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.19 1n3g h HIS 19 Cb 0.62 0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.71 1n3g h HIS 19 CO 0.14 -0.32 0.27 0.28 -1.30 0.00 0.00 177.93 177.00 1n3g h VAL 20 N -0.55 0.96 -0.12 5.26 2.07 0.23 -1.59 116.25 122.52 1n3g h VAL 20 Ca -0.05 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1n3g h VAL 20 Cb 0.43 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1n3g h VAL 20 CO 0.09 0.10 -0.28 0.00 0.02 0.00 0.00 177.57 177.49 1n3g h ALA 21 N 1.28 1.31 0.47 1.67 0.00 -1.24 -1.62 119.26 121.13 1n3g h ALA 21 Ca 0.23 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1n3g h ALA 21 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1n3g h ALA 21 CO -0.16 0.47 -0.25 0.22 0.00 0.00 0.00 179.25 179.53 1n3g h ASP 22 N 0.19 -0.61 -0.20 0.00 1.82 0.54 0.59 116.42 118.75 1n3g h ASP 22 Ca 0.03 0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.71 1n3g h ASP 22 Cb 0.60 0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.77 1n3g h ASP 22 CO 0.04 -0.41 0.11 0.03 -1.61 0.00 0.00 179.24 177.41 1n3g h ARG 23 N -0.66 0.23 0.15 0.28 -0.00 -1.50 0.22 114.38 113.10 1n3g h ARG 23 Ca -0.06 -0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.41 1n3g h ARG 23 Cb 0.52 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.42 1n3g h ARG 23 CO 0.09 0.15 -0.17 1.25 0.00 0.00 0.00 179.97 181.28 1n3g h LEU 24 N 0.23 -0.47 -0.49 3.04 5.85 -1.30 0.39 115.31 122.56 1n3g h LEU 24 Ca 0.08 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1n3g h LEU 24 Cb 0.00 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1n3g h LEU 24 CO -0.04 -0.26 0.30 0.00 -0.34 0.00 0.00 178.44 178.10 1n3g h ALA 25 N 0.44 0.63 -0.40 1.25 0.00 0.34 -2.00 119.26 119.51 1n3g h ALA 25 Ca 0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1n3g h ALA 25 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1n3g h ALA 25 CO -0.06 0.01 -0.14 -0.22 0.00 0.00 0.00 179.25 178.85 1n3g h LYS 26 N 0.61 0.72 0.00 0.00 3.64 -0.71 -2.39 116.57 118.44 1n3g h LYS 26 Ca 0.19 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1n3g h LYS 26 Cb -0.01 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1n3g h LYS 26 CO -0.07 0.83 0.00 -0.11 -2.27 0.00 0.00 179.45 177.82 1n3g n LEU 27 N -4.16 0.58 0.16 5.20 0.00 0.13 -2.47 117.00 116.45 1n3g n LEU 27 Ca 0.01 0.64 0.13 0.00 0.00 0.00 0.00 56.01 56.79 1n3g n LEU 27 Cb 0.37 -0.55 0.54 0.00 0.00 0.00 0.00 43.42 43.78 1n3g n LEU 27 CO 0.43 -0.50 0.88 1.05 0.00 0.00 0.00 177.39 179.25 1n3g h GLU 28 N 0.00 0.00 -0.47 1.96 -0.00 -0.83 -2.18 114.58 113.07 1n3g h GLU 28 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1n3g h GLU 28 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.12 1n3g h GLU 28 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 179.01 180.64 1n3g n LYS 29 N -2.38 2.37 0.00 1.06 5.02 -1.03 -4.77 118.16 118.42 1n3g n LYS 29 Ca 0.02 -2.09 0.00 0.00 -2.02 0.00 0.00 58.31 54.21 1n3g n LYS 29 Cb 0.22 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 1.25 -1.21 -0.53 2.13 7.02 -0.82 -4.79 117.44 120.49 1n3g n TRP 30 Ca 0.20 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.55 1n3g n TRP 30 Cb 0.53 0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.46 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 -0.42 1.60 -0.97 -0.99 6.02 -1.26 -4.84 117.38 116.51 1n3g n GLN 31 Ca 0.00 -1.23 0.00 0.00 -0.01 0.00 0.00 57.00 55.76 1n3g n GLN 31 Cb 0.00 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.78 1n3g n GLN 31 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1n3g n THR 32 N 0.36 0.00 0.00 5.09 -2.24 -1.26 -5.09 114.28 111.14 1n3g n THR 32 Ca 0.24 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 1n3g n THR 32 Cb 0.68 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 0.00 0.00 -1.61 4.78 8.25 -1.26 -4.88 115.22 120.50 1n3g n HIS 33 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1n3g n HIS 33 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -2.38 -3.39 0.09 2.41 7.99 -1.26 -4.52 117.00 115.94 1n3g n LEU 34 Ca 0.00 3.00 0.00 0.00 -0.01 0.00 0.00 56.01 59.00 1n3g n LEU 34 Cb 0.42 -2.88 0.00 0.00 -0.11 0.00 0.00 43.42 40.85 1n3g n LEU 34 CO 0.00 0.13 -0.03 -0.38 -1.51 0.00 0.00 177.39 175.60 1n3g n ILE 35 N -0.50 0.53 -3.63 -0.08 5.41 -0.71 -1.63 119.36 118.75 1n3g n ILE 35 Ca 0.00 0.17 -0.39 0.00 1.00 0.00 0.00 62.75 63.54 1n3g n ILE 35 Cb 0.00 -1.03 -0.08 0.00 -0.71 0.00 0.00 39.64 37.82 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 -5.43 5.57 -0.83 4.38 0.01 -1.25 0.11 114.94 117.50 1n3g s ASN 36 Ca 0.00 -2.68 -0.22 0.00 -0.71 0.00 0.00 52.86 49.24 1n3g s ASN 36 Cb 0.00 -1.94 0.07 0.00 0.41 0.00 0.00 41.25 39.80 1n3g s ASN 36 CO 0.00 -0.45 1.18 -2.16 -1.51 0.00 0.00 177.10 174.16 1n3g s PRO 37 N 0.19 3.37 -0.68 -0.60 0.04 -1.26 -1.97 135.00 134.09 1n3g s PRO 37 Ca 0.15 -1.04 -0.23 0.00 0.04 0.00 0.00 61.00 59.92 1n3g s PRO 37 Cb -0.19 -4.67 0.07 0.00 0.04 0.00 0.00 34.50 29.75 1n3g s PRO 37 CO -0.04 -1.96 1.00 -1.01 0.04 0.00 0.00 177.00 175.03 1n3g s HIS 38 N 4.21 2.66 -0.44 0.56 3.76 0.22 -1.32 115.29 124.94 1n3g s HIS 38 Ca 0.33 -0.54 -0.18 0.00 -0.15 0.00 0.00 55.06 54.52 1n3g s HIS 38 Cb -0.08 -4.32 0.03 0.00 1.11 0.00 0.00 32.58 29.32 1n3g s HIS 38 CO 0.01 -1.68 0.49 0.42 -0.85 0.00 0.00 174.74 173.13 1n3g s ILE 39 N 4.16 5.03 -0.60 0.60 -1.09 0.28 0.11 121.20 129.70 1n3g s ILE 39 Ca 0.24 -0.39 -0.10 0.00 -2.23 0.00 0.00 60.65 58.16 1n3g s ILE 39 Cb -0.16 -4.11 0.15 0.00 -1.58 0.00 0.00 42.46 36.76 1n3g s ILE 39 CO 0.10 -0.53 0.49 -0.63 -1.23 0.00 0.00 174.94 173.14 1n3g s ILE 40 N 2.25 4.56 -0.51 2.92 1.01 0.14 -1.55 121.20 130.03 1n3g s ILE 40 Ca 0.13 -2.18 -0.14 0.00 0.00 0.00 0.00 60.65 58.46 1n3g s ILE 40 Cb -0.18 -3.93 0.12 0.00 0.01 0.00 0.00 42.46 38.48 1n3g s ILE 40 CO 0.13 -0.87 0.44 -0.22 0.00 0.00 0.00 174.94 174.42 1n3g s LEU 41 N 0.78 5.98 0.18 2.97 2.96 -1.26 0.20 118.68 130.49 1n3g s LEU 41 Ca 0.11 -1.80 0.08 0.00 -0.22 0.00 0.00 54.13 52.30 1n3g s LEU 41 Cb -0.21 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1n3g s LEU 41 CO -0.03 -0.79 -0.06 -0.44 -1.32 0.00 0.00 176.35 173.71 1n3g s SER 42 N 3.22 4.42 -0.61 3.68 0.01 -0.07 -3.52 113.70 120.82 1n3g s SER 42 Ca 0.04 -0.52 -0.07 0.00 1.31 0.00 0.00 55.95 56.71 1n3g s SER 42 Cb -0.28 -0.81 0.16 0.00 0.21 0.00 0.00 66.02 65.29 1n3g s SER 42 CO 0.02 0.10 0.46 -0.75 0.41 0.00 0.00 173.24 173.48 1n3g s LYS 43 N -2.87 2.71 0.11 12.44 2.20 -1.24 -0.78 119.74 132.31 1n3g s LYS 43 Ca 0.26 -2.27 -0.24 0.00 -0.36 0.00 0.00 55.97 53.36 1n3g s LYS 43 Cb -0.09 -3.91 -0.07 0.00 -1.51 0.00 0.00 37.83 32.25 1n3g s LYS 43 CO 0.16 -1.19 0.72 -2.00 -0.36 0.00 0.00 175.35 172.68 1n3g s GLU 44 N 0.43 4.46 0.23 4.03 2.12 0.33 -4.96 118.70 125.34 1n3g s GLU 44 Ca 0.14 1.03 -0.10 0.00 0.36 0.00 0.00 54.97 56.39 1n3g s GLU 44 Cb -0.20 -3.28 0.33 0.00 0.26 0.00 0.00 34.13 31.24 1n3g s GLU 44 CO -0.04 0.51 1.35 -2.30 -0.54 0.00 0.00 175.26 174.25 1n3g n PRO 45 N 1.93 -0.13 -1.80 4.30 -0.01 -1.26 -0.62 135.00 137.42 1n3g n PRO 45 Ca -0.06 1.35 -0.37 0.00 -0.01 0.00 0.00 63.50 64.41 1n3g n PRO 45 Cb 0.50 -2.01 0.05 0.00 -0.01 0.00 0.00 33.50 32.02 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 -5.36 2.82 0.00 -0.52 -0.06 -1.26 -5.00 117.38 108.00 1n3g n GLN 46 Ca 0.12 -3.56 0.00 0.00 -2.00 0.00 0.00 57.00 51.56 1n3g n GLN 46 Cb 0.40 -2.27 0.00 0.00 -4.06 0.00 0.00 30.24 24.31 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 -0.65 3.32 3.75 1.69 0.00 0.21 -4.72 105.19 108.79 1n3g n GLY 47 Ca 0.55 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.10 3.51 -0.68 1.61 0.40 -0.87 -0.51 117.98 119.33 1n3g s PHE 48 Ca 0.00 0.69 -0.09 0.00 -0.60 0.00 0.00 56.93 56.93 1n3g s PHE 48 Cb 0.00 -2.34 0.18 0.00 0.51 0.00 0.00 43.02 41.36 1n3g s PHE 48 CO 0.00 0.31 0.56 0.08 0.70 0.00 0.00 175.22 176.87 1n3g s VAL 49 N 0.21 4.60 -0.51 -0.44 1.01 0.04 -2.52 120.40 122.79 1n3g s VAL 49 Ca 0.19 -2.55 -0.13 0.00 0.00 0.00 0.00 61.98 59.49 1n3g s VAL 49 Cb -0.14 -3.92 0.12 0.00 0.00 0.00 0.00 36.38 32.44 1n3g s VAL 49 CO 0.06 -0.92 0.43 0.00 0.00 0.00 0.00 175.10 174.66 1n3g s ALA 50 N 0.29 3.53 -0.37 5.51 0.00 -0.36 -0.89 121.76 129.46 1n3g s ALA 50 Ca 0.15 -2.53 -0.07 0.00 0.00 0.00 0.00 51.96 49.51 1n3g s ALA 50 Cb -0.17 -3.06 0.06 0.00 0.00 0.00 0.00 23.12 19.94 1n3g s ALA 50 CO -0.05 -1.96 0.17 -0.51 0.00 0.00 0.00 175.76 173.41 1n3g s ASP 51 N 3.15 5.45 -0.69 0.00 1.11 0.13 -1.19 116.67 124.63 1n3g s ASP 51 Ca 0.04 -1.31 -0.13 0.00 0.18 0.00 0.00 52.55 51.33 1n3g s ASP 51 Cb -0.28 -1.91 0.18 0.00 1.07 0.00 0.00 42.92 41.97 1n3g s ASP 51 CO 0.01 -0.42 0.61 0.00 1.18 0.00 0.00 175.17 176.56 1n3g s ALA 52 N 1.40 3.84 -0.61 5.23 0.00 0.16 0.27 121.76 132.05 1n3g s ALA 52 Ca 0.01 -3.01 -0.23 0.00 0.00 0.00 0.00 51.96 48.73 1n3g s ALA 52 Cb -0.21 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.69 1n3g s ALA 52 CO 0.02 -2.15 0.92 0.95 0.00 0.00 0.00 175.76 175.50 1n3g s THR 53 N 0.67 4.41 -0.16 0.00 -4.23 0.31 0.68 115.64 117.32 1n3g s THR 53 Ca 0.12 -0.18 -0.04 0.00 -1.18 0.00 0.00 61.69 60.41 1n3g s THR 53 Cb -0.18 -4.60 -0.03 0.00 1.34 0.00 0.00 72.50 69.03 1n3g s THR 53 CO -0.04 -1.28 -0.01 -0.63 -0.54 0.00 0.00 174.62 172.12 1n3g s ILE 54 N 3.86 4.11 -0.61 2.99 1.01 -0.82 0.72 121.20 132.46 1n3g s ILE 54 Ca 0.24 -0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.40 1n3g s ILE 54 Cb -0.16 -2.81 0.09 0.00 0.01 0.00 0.00 42.46 39.59 1n3g s ILE 54 CO 0.13 0.49 0.81 0.21 0.00 0.00 0.00 174.94 176.58 1n3g s ASN 55 N 0.28 6.18 0.34 3.58 3.04 -0.83 0.77 114.94 128.31 1n3g s ASN 55 Ca -0.02 -1.21 -0.05 0.00 0.04 0.00 0.00 52.86 51.62 1n3g s ASN 55 Cb -0.14 -2.35 -0.05 0.00 -1.54 0.00 0.00 41.25 37.17 1n3g s ASN 55 CO 0.02 -1.23 0.62 0.42 -3.04 0.00 0.00 177.10 173.89 1n3g s THR 56 N 3.25 4.97 0.66 -5.21 -4.23 0.80 -1.75 115.64 114.13 1n3g s THR 56 Ca 0.16 0.13 0.37 0.00 -1.18 0.00 0.00 61.69 61.17 1n3g s THR 56 Cb -0.21 -3.76 0.37 0.00 1.34 0.00 0.00 72.50 70.24 1n3g s THR 56 CO 0.08 -0.45 2.13 1.55 -0.54 0.00 0.00 174.62 177.40 1n3g h PRO 57 N 1.33 0.00 -0.46 3.99 0.13 -1.94 0.14 132.00 135.19 1n3g h PRO 57 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1n3g h PRO 57 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1n3g h PRO 57 CO 0.65 0.00 0.05 0.09 -0.23 0.00 0.00 178.00 178.56 1n3g n ASN 58 N -3.02 4.52 0.00 1.44 3.02 -1.26 -5.05 115.26 114.91 1n3g n ASN 58 Ca -0.02 -3.10 0.00 0.00 -0.03 0.00 0.00 54.58 51.43 1n3g n ASN 58 Cb 0.24 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1n3g n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n3g n GLY 59 N -0.16 0.30 2.77 7.41 0.00 0.50 -4.98 105.19 111.03 1n3g n GLY 59 Ca 0.28 -1.45 -0.18 0.00 0.00 0.00 0.00 46.02 44.67 1n3g n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n3g s VAL 60 N -1.71 0.09 -0.60 1.61 0.11 -1.26 -0.14 120.40 118.50 1n3g s VAL 60 Ca 0.00 0.19 -0.06 0.00 -2.93 0.00 0.00 61.98 59.18 1n3g s VAL 60 Cb 0.00 -0.24 0.16 0.00 -1.53 0.00 0.00 36.38 34.77 1n3g s VAL 60 CO 0.00 0.15 0.45 -0.76 -3.33 0.00 0.00 175.10 171.61 1n3g s LEU 61 N 1.38 5.60 -0.27 2.54 2.01 0.23 -4.91 118.68 125.26 1n3g s LEU 61 Ca -0.05 -2.53 -0.19 0.00 0.01 0.00 0.00 54.13 51.37 1n3g s LEU 61 Cb -0.13 -1.94 -0.02 0.00 0.01 0.00 0.00 46.19 44.10 1n3g s LEU 61 CO -0.03 -0.49 0.55 0.68 1.01 0.00 0.00 176.35 178.07 1n3g s VAL 62 N 0.41 5.03 -0.21 -1.59 -7.23 -1.26 -1.94 120.40 113.62 1n3g s VAL 62 Ca 0.14 0.88 -0.15 0.00 -1.81 0.00 0.00 61.98 61.03 1n3g s VAL 62 Cb -0.20 -3.88 -0.04 0.00 0.56 0.00 0.00 36.38 32.81 1n3g s VAL 62 CO -0.04 0.01 0.38 0.00 -0.31 0.00 0.00 175.10 175.14 1n3g s ALA 63 N 2.40 3.56 -0.14 1.32 0.00 0.21 -4.76 121.76 124.35 1n3g s ALA 63 Ca 0.22 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 1n3g s ALA 63 Cb -0.15 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 1n3g s ALA 63 CO 0.10 -0.30 -0.05 -1.54 0.00 0.00 0.00 175.76 173.97 1n3g s SER 64 N 1.06 4.74 -0.04 0.00 1.04 -1.26 0.40 113.70 119.63 1n3g s SER 64 Ca 0.18 -0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.46 1n3g s SER 64 Cb -0.15 -1.72 0.03 0.00 0.10 0.00 0.00 66.02 64.29 1n3g s SER 64 CO 0.08 0.19 0.06 -0.83 0.98 0.00 0.00 173.24 173.71 1n3g s GLY 65 N 0.23 0.22 -0.19 7.32 0.00 -0.34 -3.74 107.32 110.82 1n3g s GLY 65 Ca -0.03 0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.88 1n3g s GLY 65 CO 0.03 1.38 -0.12 0.54 0.00 0.00 0.00 173.10 174.93 1n3g s LYS 66 N 2.16 2.15 -0.30 2.90 3.01 -1.25 -1.22 119.74 127.19 1n3g s LYS 66 Ca 0.05 -0.81 -0.17 0.00 -1.01 0.00 0.00 55.97 54.03 1n3g s LYS 66 Cb -0.12 -2.39 0.20 0.00 -1.01 0.00 0.00 37.83 34.51 1n3g s LYS 66 CO -0.03 -0.38 1.23 -1.58 0.51 0.00 0.00 175.35 175.09 1n3g s HIS 67 N 1.39 -0.15 0.55 3.18 2.46 -1.05 -4.89 115.29 116.79 1n3g s HIS 67 Ca -0.00 0.29 0.43 0.00 0.47 0.00 0.00 55.06 56.25 1n3g s HIS 67 Cb -0.16 0.09 1.64 0.00 -0.13 0.00 0.00 32.58 34.02 1n3g s HIS 67 CO -0.09 -0.08 1.69 1.05 -2.47 0.00 0.00 174.74 174.85 1n3g h GLU 68 N 5.97 0.00 -6.28 2.88 4.11 -1.85 -2.32 114.58 117.09 1n3g h GLU 68 Ca -0.22 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.67 1n3g h GLU 68 Cb 1.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1n3g h GLU 68 CO 0.17 0.00 0.31 -0.51 0.07 0.00 0.00 179.01 179.05 1n3g s ASP 69 N -4.56 7.24 0.04 3.06 1.11 -1.26 -4.52 116.67 117.79 1n3g s ASP 69 Ca -0.05 1.51 -0.18 0.00 0.18 0.00 0.00 52.55 54.00 1n3g s ASP 69 Cb 0.25 -2.52 -0.09 0.00 1.07 0.00 0.00 42.92 41.62 1n3g s ASP 69 CO 0.84 -0.24 1.28 -0.03 1.18 0.00 0.00 175.17 178.20 1n3g h MET 70 N 6.83 -0.54 -1.00 8.23 1.85 -2.00 -0.11 114.93 128.20 1n3g h MET 70 Ca -0.40 0.04 0.06 0.00 -0.61 0.00 0.00 59.70 58.79 1n3g h MET 70 Cb 1.20 0.12 -0.06 0.00 0.43 0.00 0.00 31.60 33.29 1n3g h MET 70 CO 0.76 -0.36 0.65 1.88 -0.40 0.00 0.00 176.91 179.44 1n3g h TYR 71 N -0.56 1.20 -0.82 1.39 0.05 -1.93 -1.15 116.97 115.15 1n3g h TYR 71 Ca -0.04 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.82 1n3g h TYR 71 Cb 0.46 -0.40 -0.05 0.00 1.01 0.00 0.00 36.73 37.76 1n3g h TYR 71 CO -0.09 0.64 0.54 1.15 -1.05 0.00 0.00 178.16 179.36 1n3g h THR 72 N 1.19 1.10 0.48 -2.88 2.02 -1.87 -0.27 112.91 112.68 1n3g h THR 72 Ca 0.42 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1n3g h THR 72 Cb 0.12 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1n3g h THR 72 CO -0.16 0.18 -0.23 0.00 0.37 0.00 0.00 175.52 175.68 1n3g h ALA 73 N 1.53 -0.64 -0.61 6.16 0.00 0.26 -0.91 119.26 125.05 1n3g h ALA 73 Ca 0.34 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1n3g h ALA 73 Cb 0.12 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1n3g h ALA 73 CO -0.11 -0.81 0.41 -0.84 0.00 0.00 0.00 179.25 177.89 1n3g h ILE 74 N -0.74 0.94 0.25 0.00 -2.65 -1.12 -0.18 117.51 114.01 1n3g h ILE 74 Ca -0.07 -0.17 -0.01 0.00 1.03 0.00 0.00 64.86 65.64 1n3g h ILE 74 Cb 0.54 0.40 0.00 0.00 -2.05 0.00 0.00 36.82 35.71 1n3g h ILE 74 CO 0.11 0.09 -0.12 0.78 0.03 0.00 0.00 178.15 179.04 1n3g h ASN 75 N 0.49 -0.28 -0.90 2.16 2.35 -0.68 -1.27 115.58 117.44 1n3g h ASN 75 Ca 0.28 0.01 0.18 0.00 -0.55 0.00 0.00 56.30 56.22 1n3g h ASN 75 Cb 0.44 0.07 -0.11 0.00 0.05 0.00 0.00 38.32 38.78 1n3g h ASN 75 CO -0.08 -0.17 0.47 -0.08 -1.65 0.00 0.00 177.43 175.92 1n3g h GLU 76 N -0.39 0.58 0.00 0.81 4.81 -1.02 0.39 114.58 119.76 1n3g h GLU 76 Ca -0.03 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1n3g h GLU 76 Cb 0.26 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1n3g h GLU 76 CO 0.06 0.38 -0.09 1.25 -0.73 0.00 0.00 179.01 179.88 1n3g h LEU 77 N 0.60 0.00 -0.07 1.64 6.46 -1.02 -2.62 115.31 120.30 1n3g h LEU 77 Ca 0.52 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 58.05 1n3g h LEU 77 Cb 0.85 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.79 1n3g h LEU 77 CO -0.42 0.09 -0.88 -0.29 -0.62 0.00 0.00 178.44 176.32 1n3g h ILE 78 N 0.00 1.29 -0.49 4.05 6.09 0.10 -2.70 117.51 125.85 1n3g h ILE 78 Ca -0.00 -2.10 -0.07 0.00 -1.37 0.00 0.00 64.86 61.32 1n3g h ILE 78 Cb 0.17 2.23 -0.02 0.00 0.47 0.00 0.00 36.82 39.66 1n3g h ILE 78 CO 0.01 0.65 0.01 -0.55 -3.07 0.00 0.00 178.15 175.20 1n3g h ASN 79 N 0.40 0.79 -0.16 2.19 7.08 -1.11 -1.94 115.58 122.82 1n3g h ASN 79 Ca -0.09 -0.19 -0.04 0.00 -3.08 0.00 0.00 56.30 52.90 1n3g h ASN 79 Cb 1.52 -0.21 -0.00 0.00 -2.08 0.00 0.00 38.32 37.55 1n3g h ASN 79 CO 0.18 0.85 -0.06 0.11 -2.08 0.00 0.00 177.43 176.43 1n3g h LYS 80 N 0.77 0.33 -0.65 4.14 6.56 -1.53 -2.74 116.57 123.43 1n3g h LYS 80 Ca 0.15 -0.13 0.02 0.00 -1.06 0.00 0.00 60.65 59.62 1n3g h LYS 80 Cb 0.45 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.07 1n3g h LYS 80 CO 0.02 0.62 0.43 1.25 -2.06 0.00 0.00 179.45 179.71 1n3g h LEU 81 N 0.02 0.72 0.76 2.94 6.46 -1.36 -2.61 115.31 122.24 1n3g h LEU 81 Ca 0.04 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1n3g h LEU 81 Cb 0.51 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1n3g h LEU 81 CO 0.02 0.51 -0.37 -0.08 -0.62 0.00 0.00 178.44 177.91 1n3g h GLU 82 N 0.85 -0.99 -0.95 1.25 4.81 -1.24 -2.11 114.58 116.21 1n3g h GLU 82 Ca 0.25 0.07 0.20 0.00 -0.13 0.00 0.00 59.36 59.75 1n3g h GLU 82 Cb -0.03 0.22 -0.08 0.00 0.63 0.00 0.00 28.75 29.49 1n3g h GLU 82 CO -0.06 -0.64 0.61 0.07 -0.73 0.00 0.00 179.01 178.26 1n3g h ARG 83 N -1.15 0.49 -0.34 1.92 -0.00 -1.36 0.23 114.38 114.17 1n3g h ARG 83 Ca -0.10 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.98 59.75 1n3g h ARG 83 Cb 0.80 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.97 30.65 1n3g h ARG 83 CO 0.17 0.33 -0.19 0.37 -0.00 0.00 0.00 179.97 180.65 1n3g h GLN 84 N 0.51 0.64 0.00 0.08 4.15 -1.32 -2.41 115.11 116.76 1n3g h GLN 84 Ca 0.51 -0.23 -0.12 0.00 0.77 0.00 0.00 58.65 59.58 1n3g h GLN 84 Cb 1.13 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 1n3g h GLN 84 CO -0.24 0.79 -0.55 1.25 -1.93 0.00 0.00 178.83 178.15 1n3g h LEU 85 N 0.57 0.00 0.38 -2.39 6.46 0.10 -2.58 115.31 117.85 1n3g h LEU 85 Ca 0.09 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1n3g h LEU 85 Cb 0.64 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 1n3g h LEU 85 CO 0.05 0.55 -0.18 0.78 -0.62 0.00 0.00 178.44 179.01 1n3g h ASN 86 N 0.00 -0.43 -0.83 1.25 2.35 -0.91 -2.11 115.58 114.90 1n3g h ASN 86 Ca -0.01 -0.12 0.08 0.00 -0.55 0.00 0.00 56.30 55.71 1n3g h ASN 86 Cb 0.99 0.11 -0.06 0.00 0.05 0.00 0.00 38.32 39.42 1n3g h ASN 86 CO 0.07 0.01 0.54 0.07 -1.65 0.00 0.00 177.43 176.47 1n3g h LYS 87 N -1.00 0.82 -0.57 0.81 5.09 -1.51 0.40 116.57 120.62 1n3g h LYS 87 Ca -0.05 -0.05 -0.07 0.00 0.09 0.00 0.00 60.65 60.56 1n3g h LYS 87 Cb 0.52 -0.19 -0.02 0.00 0.10 0.00 0.00 32.23 32.64 1n3g h LYS 87 CO 0.08 0.55 0.07 -0.07 -2.09 0.00 0.00 179.45 177.99 1n3g h LEU 88 N 0.85 0.93 -0.22 7.07 3.38 -1.49 -2.80 115.31 123.03 1n3g h LEU 88 Ca 0.37 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1n3g h LEU 88 Cb 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1n3g h LEU 88 CO -0.14 0.97 -0.40 -0.61 0.09 0.00 0.00 178.44 178.35 1n3g h GLN 89 N 0.86 0.00 0.20 1.13 5.75 -0.57 -2.36 115.11 120.13 1n3g h GLN 89 Ca 0.17 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 1n3g h GLN 89 Cb 0.45 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 1n3g h GLN 89 CO 0.02 0.40 -0.19 0.45 -2.65 0.00 0.00 178.83 176.85 1n3g h HIS 90 N 0.00 -0.53 0.00 3.99 3.86 0.03 -3.42 115.15 119.08 1n3g h HIS 90 Ca -0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 1n3g h HIS 90 Cb 1.22 0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.89 1n3g h HIS 90 CO 0.00 -0.26 -1.22 1.63 0.86 0.00 0.00 177.93 178.94 1n3g n LYS 91 N -3.49 0.08 0.00 2.45 5.02 -1.21 -5.10 118.16 115.92 1n3g n LYS 91 Ca -0.05 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1n3g n LYS 91 Cb 0.18 -0.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 1n3g n LYS 91 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n3g n GLY 92 N 2.79 0.22 2.06 0.72 0.00 -0.89 -4.94 105.19 105.16 1n3g n GLY 92 Ca -0.08 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 0.00 -2.68 1.61 1.02 -1.26 -4.86 120.64 114.47 1n3g n GLU 93 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1n3g n GLU 93 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.50 1n3g n GLU 93 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n3g n ALA 94 N -3.16 -3.08 -1.55 0.62 0.00 -1.26 -5.09 120.51 106.99 1n3g n ALA 94 Ca 0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 53.44 52.75 1n3g n ALA 94 Cb 0.00 -2.83 -0.10 0.00 0.00 0.00 0.00 19.45 16.52 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 1.42 0.46 -0.77 0.00 3.00 -1.26 -4.89 116.66 114.61 1n3g n ARG 95 Ca 0.02 -0.72 -0.33 0.00 -0.01 0.00 0.00 57.85 56.80 1n3g n ARG 95 Cb 0.70 -3.26 0.13 0.00 0.00 0.00 0.00 32.46 30.03 1n3g n ARG 95 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1n3g n ARG 96 N 8.25 -0.81 -0.01 5.56 -4.01 -1.26 -4.86 116.66 119.52 1n3g n ARG 96 Ca 0.50 -0.21 0.14 0.00 -1.04 0.00 0.00 57.85 57.24 1n3g n ARG 96 Cb 0.38 -1.66 0.75 0.00 -3.04 0.00 0.00 32.46 28.89 1n3g n ARG 96 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1n3g n ALA 97 N -3.86 2.64 -2.10 2.89 0.00 -1.26 -4.99 120.51 113.83 1n3g n ALA 97 Ca 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.16 1n3g n ALA 97 Cb 0.59 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.56 -3.14 -2.61 0.00 0.00 -1.26 -5.05 120.51 107.90 1n3g n ALA 98 Ca 0.21 1.21 -0.20 0.00 0.00 0.00 0.00 53.44 54.67 1n3g n ALA 98 Cb 0.19 -2.47 -0.01 0.00 0.00 0.00 0.00 19.45 17.16 1n3g n ALA 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1n3g s THR 99 N -0.42 4.38 -0.59 0.00 2.01 -1.26 -4.99 115.64 114.77 1n3g s THR 99 Ca -0.13 -1.01 -0.28 0.00 0.31 0.00 0.00 61.69 60.58 1n3g s THR 99 Cb 0.01 -3.52 -0.11 0.00 0.01 0.00 0.00 72.50 68.89 1n3g s THR 99 CO 0.36 -0.21 2.47 -0.24 -0.69 0.00 0.00 174.62 176.31 1n3g n SER 100 N -1.57 1.87 -0.07 3.53 2.88 -1.26 -4.74 113.62 114.27 1n3g n SER 100 Ca -0.03 -0.29 -0.10 0.00 -1.33 0.00 0.00 58.87 57.13 1n3g n SER 100 Cb 0.58 -1.42 -0.15 0.00 -0.75 0.00 0.00 64.21 62.47 1n3g n SER 100 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1n3g n VAL 101 N 7.85 1.48 0.27 2.46 3.14 -1.26 -4.15 118.33 128.11 1n3g n VAL 101 Ca 0.44 -0.83 0.15 0.00 -2.96 0.00 0.00 64.34 61.14 1n3g n VAL 101 Cb 0.41 -0.70 0.66 0.00 -1.06 0.00 0.00 33.84 33.16 1n3g n VAL 101 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1n3g h LYS 102 N 0.00 0.00 -0.75 1.45 3.64 -2.05 -2.55 116.57 116.31 1n3g h LYS 102 Ca -0.45 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1n3g h LYS 102 Cb 2.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.97 1n3g h LYS 102 CO 0.05 0.07 0.02 -0.40 -2.27 0.00 0.00 179.45 176.92 1n3g n ASP 103 N -3.23 3.90 -4.45 4.20 5.75 -1.26 -4.81 116.55 116.64 1n3g n ASP 103 Ca -0.00 -2.59 -0.43 0.00 -0.01 0.00 0.00 54.79 51.76 1n3g n ASP 103 Cb 0.32 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 39.75 1n3g n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n3g s ALA 104 N -2.08 3.20 0.00 2.12 0.00 -0.96 -4.87 121.76 119.17 1n3g s ALA 104 Ca 0.34 -2.22 0.00 0.00 0.00 0.00 0.00 51.96 50.08 1n3g s ALA 104 Cb 0.26 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1n3g s ALA 104 CO 0.10 -2.87 0.00 0.09 0.00 0.00 0.00 175.76 173.08 1n3g n ASN 105 N 7.26 0.00 -3.68 0.00 3.02 -1.26 -4.89 115.26 115.71 1n3g n ASN 105 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1n3g n ASN 105 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1n3g n ASN 105 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1n3g n PHE 106 N -1.14 -0.16 -1.78 3.10 -1.74 -1.26 -4.74 117.46 109.74 1n3g n PHE 106 Ca 0.00 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.54 1n3g n PHE 106 Cb 0.00 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 40.97 1n3g n PHE 106 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1n3g s VAL 107 N 0.00 3.17 0.00 1.97 1.01 -1.26 -4.68 120.40 120.62 1n3g s VAL 107 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1n3g s VAL 107 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1n3g s VAL 107 CO 0.00 -0.44 0.00 -0.62 0.00 0.00 0.00 175.10 174.04 1n3g n GLU 108 N 9.06 0.00 -1.54 2.72 -0.58 -1.26 -5.03 120.64 124.01 1n3g n GLU 108 Ca 0.31 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.71 1n3g n GLU 108 Cb 0.52 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.34 1n3g n GLU 108 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1n3g n GLU 109 N 0.00 0.80 -3.06 3.49 -0.00 -1.26 -4.88 120.64 115.74 1n3g n GLU 109 Ca 0.00 -0.08 -0.12 0.00 -0.00 0.00 0.00 57.16 56.97 1n3g n GLU 109 Cb 0.00 -3.10 -0.03 0.00 -0.00 0.00 0.00 31.44 28.31 1n3g n GLU 109 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1n3g n VAL 110 N 7.94 0.00 0.32 3.84 0.24 -1.26 -5.01 118.33 124.40 1n3g n VAL 110 Ca 0.43 -1.02 0.09 0.00 -2.04 0.00 0.00 64.34 61.80 1n3g n VAL 110 Cb 0.44 0.33 0.41 0.00 -1.47 0.00 0.00 33.84 33.56 1n3g n VAL 110 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1n3g n GLU 111 N -0.43 0.11 -2.89 7.34 -0.58 -1.26 -3.36 120.64 119.57 1n3g n GLU 111 Ca -0.04 0.44 -0.36 0.00 -0.42 0.00 0.00 57.16 56.78 1n3g n GLU 111 Cb 0.27 -1.76 -0.01 0.00 -0.57 0.00 0.00 31.44 29.37 1n3g n GLU 111 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1n3g n GLU 112 N -1.98 4.30 0.00 3.49 -0.58 -1.26 -5.32 120.64 119.29 1n3g n GLU 112 Ca 0.01 -4.70 0.02 0.00 -0.42 0.00 0.00 57.16 52.07 1n3g n GLU 112 Cb 0.14 -2.39 0.13 0.00 -0.57 0.00 0.00 31.44 28.75 1n3g n GLU 112 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74