#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 -2.99 3.17 -1.04 0.13 -4.98 114.28 108.57 1n3g n THR 2 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1n3g n THR 2 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1n3g n THR 2 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1n3g s MET 3 N 1.07 0.95 -1.06 -2.82 0.00 -1.26 -4.54 119.30 111.64 1n3g s MET 3 Ca 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 55.69 54.80 1n3g s MET 3 Cb 0.00 -0.12 0.28 0.00 0.00 0.00 0.00 34.83 34.99 1n3g s MET 3 CO 0.00 -1.27 1.15 -1.71 0.00 0.00 0.00 175.02 173.18 1n3g n ASN 4 N 3.55 5.49 -4.72 1.11 4.05 -0.46 -5.03 115.26 119.25 1n3g n ASN 4 Ca 0.16 -3.17 -0.39 0.00 0.45 0.00 0.00 54.58 51.63 1n3g n ASN 4 Cb 0.55 -1.28 -0.05 0.00 1.23 0.00 0.00 39.78 40.23 1n3g n ASN 4 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1n3g s ILE 5 N -1.74 5.09 -0.30 -1.44 1.01 -1.26 -1.87 121.20 120.69 1n3g s ILE 5 Ca 0.31 1.23 0.01 0.00 0.00 0.00 0.00 60.65 62.19 1n3g s ILE 5 Cb -0.05 -3.94 0.14 0.00 0.01 0.00 0.00 42.46 38.63 1n3g s ILE 5 CO -0.04 0.30 0.33 0.28 0.00 0.00 0.00 174.94 175.81 1n3g s THR 6 N 0.63 -0.44 0.16 2.92 -1.32 0.42 -4.93 115.64 113.07 1n3g s THR 6 Ca 0.32 -0.52 -0.08 0.00 -1.21 0.00 0.00 61.69 60.20 1n3g s THR 6 Cb -0.17 -0.94 -0.06 0.00 -1.51 0.00 0.00 72.50 69.82 1n3g s THR 6 CO 0.15 -0.45 0.45 -0.44 -2.21 0.00 0.00 174.62 172.12 1n3g s SER 7 N 2.27 6.59 0.00 8.08 0.01 -1.26 -4.12 113.70 125.26 1n3g s SER 7 Ca 0.10 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1n3g s SER 7 Cb -0.14 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1n3g s SER 7 CO -0.28 0.04 0.02 1.17 0.41 0.00 0.00 173.24 174.60 1n3g n LYS 8 N 0.25 0.00 -0.09 12.44 3.00 -1.24 -4.89 118.16 127.63 1n3g n LYS 8 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.18 1n3g n LYS 8 Cb 0.52 -0.22 -0.04 0.00 0.00 0.00 0.00 35.03 35.30 1n3g n LYS 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1n3g n GLN 9 N -0.12 0.51 -1.90 1.64 3.00 -1.26 -4.88 117.38 114.37 1n3g n GLN 9 Ca 0.00 0.34 -0.43 0.00 -0.01 0.00 0.00 57.00 56.90 1n3g n GLN 9 Cb 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 30.24 28.67 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 -2.63 3.63 1.20 -1.09 0.00 -1.26 -4.97 119.30 114.19 1n3g s MET 10 Ca -0.25 1.88 -0.19 0.00 0.00 0.00 0.00 55.69 57.13 1n3g s MET 10 Cb 0.04 -4.16 0.28 0.00 0.00 0.00 0.00 34.83 31.00 1n3g s MET 10 CO 0.37 -1.51 1.09 -1.21 0.00 0.00 0.00 175.02 173.76 1n3g s GLU 11 N 5.18 -1.22 -0.56 4.11 8.01 -1.26 -4.46 118.70 128.50 1n3g s GLU 11 Ca 0.83 0.02 -0.21 0.00 0.01 0.00 0.00 54.97 55.61 1n3g s GLU 11 Cb -0.30 -1.59 0.06 0.00 -4.31 0.00 0.00 34.13 28.00 1n3g s GLU 11 CO 0.33 -3.73 0.79 0.96 0.01 0.00 0.00 175.26 173.63 1n3g s ILE 12 N -2.93 4.63 0.58 -1.63 -0.00 -1.26 -5.00 121.20 115.58 1n3g s ILE 12 Ca 0.70 -0.33 -0.16 0.00 -0.00 0.00 0.00 60.65 60.85 1n3g s ILE 12 Cb -0.11 -4.47 -0.04 0.00 -0.00 0.00 0.00 42.46 37.84 1n3g s ILE 12 CO 0.56 -1.06 1.06 0.42 -0.00 0.00 0.00 174.94 175.92 1n3g s THR 13 N 3.27 3.76 0.35 8.37 -4.23 -1.26 -4.73 115.64 121.17 1n3g s THR 13 Ca 0.20 0.87 0.11 0.00 -1.18 0.00 0.00 61.69 61.69 1n3g s THR 13 Cb -0.18 -3.38 0.33 0.00 1.34 0.00 0.00 72.50 70.62 1n3g s THR 13 CO 0.13 -0.45 1.82 1.55 -0.54 0.00 0.00 174.62 177.12 1n3g h PRO 14 N 0.58 0.62 0.07 3.99 0.13 -1.98 0.48 132.00 135.90 1n3g h PRO 14 Ca -0.47 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1n3g h PRO 14 Cb 1.22 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1n3g h PRO 14 CO 0.57 0.41 -0.04 0.00 -0.23 0.00 0.00 178.00 178.72 1n3g h ALA 15 N 1.62 -0.10 0.01 -0.56 0.00 -1.99 -2.25 119.26 115.99 1n3g h ALA 15 Ca 0.52 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1n3g h ALA 15 Cb 0.97 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1n3g h ALA 15 CO -0.27 -0.35 -0.00 0.82 0.00 0.00 0.00 179.25 179.45 1n3g h ILE 16 N -0.52 1.18 -0.76 0.00 2.04 -1.73 -2.11 117.51 115.61 1n3g h ILE 16 Ca -0.01 -0.56 0.15 0.00 1.00 0.00 0.00 64.86 65.44 1n3g h ILE 16 Cb 0.44 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 1n3g h ILE 16 CO 0.02 0.14 0.51 -0.09 0.00 0.00 0.00 178.15 178.73 1n3g h ARG 17 N -0.25 0.42 -0.15 2.37 2.43 -0.15 -1.17 114.38 117.87 1n3g h ARG 17 Ca -0.00 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1n3g h ARG 17 Cb 0.25 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1n3g h ARG 17 CO 0.00 0.28 -0.35 0.37 -1.51 0.00 0.00 179.97 178.76 1n3g h GLN 18 N 0.43 0.50 -0.47 0.20 5.75 -1.18 -2.19 115.11 118.15 1n3g h GLN 18 Ca 0.37 -0.34 0.06 0.00 -0.15 0.00 0.00 58.65 58.59 1n3g h GLN 18 Cb 0.83 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.38 1n3g h GLN 18 CO -0.12 0.95 0.19 0.45 -2.65 0.00 0.00 178.83 177.65 1n3g h HIS 19 N 0.13 0.34 -0.18 3.99 3.86 -0.55 -1.46 115.15 121.28 1n3g h HIS 19 Ca -0.00 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 1n3g h HIS 19 Cb 0.96 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.33 1n3g h HIS 19 CO 0.10 0.13 -0.29 0.28 0.86 0.00 0.00 177.93 179.02 1n3g h VAL 20 N 0.38 1.27 0.35 2.45 2.07 -1.39 -2.51 116.25 118.87 1n3g h VAL 20 Ca 0.22 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1n3g h VAL 20 Cb 0.20 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1n3g h VAL 20 CO -0.21 0.39 -0.41 0.00 0.02 0.00 0.00 177.57 177.37 1n3g h ALA 21 N 1.40 -1.05 -0.28 1.67 0.00 -0.60 0.89 119.26 121.29 1n3g h ALA 21 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1n3g h ALA 21 Cb 0.67 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1n3g h ALA 21 CO 0.05 -1.09 0.11 -0.44 0.00 0.00 0.00 179.25 177.89 1n3g h ASP 22 N -0.78 0.34 -0.36 0.00 5.19 -1.50 -2.01 116.42 117.30 1n3g h ASP 22 Ca -0.04 -0.03 -0.16 0.00 -0.62 0.00 0.00 57.03 56.18 1n3g h ASP 22 Cb 0.69 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.11 1n3g h ASP 22 CO -0.08 0.32 -0.40 0.03 -3.12 0.00 0.00 179.24 175.99 1n3g h ARG 23 N 0.39 0.91 0.23 3.56 -0.00 -0.96 -1.30 114.38 117.20 1n3g h ARG 23 Ca 0.10 -0.49 -0.01 0.00 -0.50 0.00 0.00 59.98 59.07 1n3g h ARG 23 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.07 1n3g h ARG 23 CO -0.01 1.14 -0.11 1.25 0.00 0.00 0.00 179.97 182.24 1n3g h LEU 24 N 0.72 -0.26 0.03 3.04 5.85 0.14 0.14 115.31 124.96 1n3g h LEU 24 Ca 0.05 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1n3g h LEU 24 Cb 0.99 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1n3g h LEU 24 CO 0.10 -0.03 -0.02 0.00 -0.34 0.00 0.00 178.44 178.15 1n3g h ALA 25 N 0.23 -0.04 -0.86 1.25 0.00 -1.44 -1.43 119.26 116.97 1n3g h ALA 25 Ca -0.03 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1n3g h ALA 25 Cb 0.37 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1n3g h ALA 25 CO 0.05 -0.52 0.55 -0.22 0.00 0.00 0.00 179.25 179.12 1n3g h LYS 26 N -0.06 1.04 0.00 0.00 3.64 -1.23 -0.85 116.57 119.10 1n3g h LYS 26 Ca -0.00 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1n3g h LYS 26 Cb 0.05 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1n3g h LYS 26 CO 0.01 0.69 -0.14 1.25 -2.27 0.00 0.00 179.45 178.99 1n3g h LEU 27 N 1.07 0.00 -1.61 5.20 7.12 -0.40 -1.81 115.31 124.88 1n3g h LEU 27 Ca 0.34 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.32 1n3g h LEU 27 Cb 0.01 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1n3g h LEU 27 CO -0.12 0.14 -0.16 -0.08 -0.13 0.00 0.00 178.44 178.09 1n3g h GLU 28 N 0.00 0.00 0.00 1.25 4.81 -0.05 -2.38 114.58 118.21 1n3g h GLU 28 Ca -0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1n3g h GLU 28 Cb 0.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1n3g h GLU 28 CO 0.02 0.16 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.01 1n3g h LYS 29 N 0.00 0.00 -6.58 1.92 1.63 -1.29 -3.43 116.57 108.81 1n3g h LYS 29 Ca -0.00 0.00 -0.39 0.00 -0.85 0.00 0.00 60.65 59.41 1n3g h LYS 29 Cb 0.50 0.00 0.21 0.00 -0.60 0.00 0.00 32.23 32.34 1n3g h LYS 29 CO 0.02 0.23 -0.75 0.91 -3.45 0.00 0.00 179.45 176.41 1n3g n TRP 30 N -3.32 -1.84 -0.96 1.91 7.02 -0.90 -4.70 117.44 114.64 1n3g n TRP 30 Ca 0.01 -0.01 -0.29 0.00 -1.02 0.00 0.00 57.50 56.19 1n3g n TRP 30 Cb 0.47 -1.51 -0.02 0.00 -2.42 0.00 0.00 31.31 27.83 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 -2.57 2.49 -2.77 -0.99 3.00 -1.26 -4.74 117.38 110.54 1n3g n GLN 31 Ca 0.03 -1.73 -0.07 0.00 -0.01 0.00 0.00 57.00 55.22 1n3g n GLN 31 Cb 0.55 -2.61 -0.01 0.00 0.00 0.00 0.00 30.24 28.17 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 4.22 0.00 -0.05 5.09 -2.24 -1.26 -5.01 114.28 115.04 1n3g n THR 32 Ca 0.54 -0.85 -0.08 0.00 -2.27 0.00 0.00 64.05 61.39 1n3g n THR 32 Cb 0.19 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.31 0.00 -2.65 4.78 8.25 -1.26 -4.92 115.22 119.12 1n3g n HIS 33 Ca -0.01 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.40 1n3g n HIS 33 Cb 0.32 -0.34 -0.04 0.00 1.12 0.00 0.00 29.99 31.04 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 -3.11 -6.02 -0.03 2.41 7.99 -1.24 -4.48 117.00 112.52 1n3g n LEU 34 Ca -0.17 2.22 -0.08 0.00 -0.01 0.00 0.00 56.01 57.97 1n3g n LEU 34 Cb 0.65 -3.14 -0.03 0.00 -0.11 0.00 0.00 43.42 40.79 1n3g n LEU 34 CO 0.05 -3.99 -0.58 -0.38 -1.51 0.00 0.00 177.39 170.98 1n3g n ILE 35 N 1.81 1.05 -3.63 -0.08 2.08 -1.02 -1.68 119.36 117.89 1n3g n ILE 35 Ca -0.40 0.08 -0.38 0.00 0.56 0.00 0.00 62.75 62.62 1n3g n ILE 35 Cb 0.61 -1.81 -0.07 0.00 -0.75 0.00 0.00 39.64 37.62 1n3g n ILE 35 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1n3g s ASN 36 N -6.03 5.70 -0.66 4.38 0.01 -1.26 0.21 114.94 117.29 1n3g s ASN 36 Ca -0.15 -3.12 -0.27 0.00 -0.71 0.00 0.00 52.86 48.62 1n3g s ASN 36 Cb 0.04 -1.93 0.03 0.00 0.41 0.00 0.00 41.25 39.81 1n3g s ASN 36 CO 0.20 -0.34 1.20 -2.16 -1.51 0.00 0.00 177.10 174.49 1n3g s PRO 37 N -0.46 3.31 -0.46 -0.60 0.04 -1.26 -2.64 135.00 132.93 1n3g s PRO 37 Ca 0.21 -0.12 -0.19 0.00 0.04 0.00 0.00 61.00 60.93 1n3g s PRO 37 Cb -0.15 -4.12 0.03 0.00 0.04 0.00 0.00 34.50 30.31 1n3g s PRO 37 CO -0.07 -1.91 0.59 -1.58 0.04 0.00 0.00 177.00 174.08 1n3g s HIS 38 N 5.19 3.08 -0.35 0.56 2.46 0.33 -1.35 115.29 125.20 1n3g s HIS 38 Ca 0.36 -0.28 -0.10 0.00 0.47 0.00 0.00 55.06 55.51 1n3g s HIS 38 Cb -0.09 -3.31 0.02 0.00 -0.13 0.00 0.00 32.58 29.07 1n3g s HIS 38 CO 0.19 -0.89 0.18 0.42 -2.47 0.00 0.00 174.74 172.17 1n3g s ILE 39 N 2.62 4.55 -0.34 0.89 1.09 -0.78 0.16 121.20 129.40 1n3g s ILE 39 Ca 0.18 -0.72 -0.02 0.00 -1.10 0.00 0.00 60.65 58.99 1n3g s ILE 39 Cb -0.16 -3.47 0.07 0.00 -1.06 0.00 0.00 42.46 37.84 1n3g s ILE 39 CO 0.16 -0.13 0.08 -0.63 -0.10 0.00 0.00 174.94 174.31 1n3g s ILE 40 N 1.57 3.07 -0.46 2.92 1.01 0.75 -0.44 121.20 129.61 1n3g s ILE 40 Ca 0.03 -1.67 -0.08 0.00 0.00 0.00 0.00 60.65 58.93 1n3g s ILE 40 Cb -0.18 -2.91 0.12 0.00 0.01 0.00 0.00 42.46 39.49 1n3g s ILE 40 CO 0.06 -0.34 0.33 -0.22 0.00 0.00 0.00 174.94 174.77 1n3g s LEU 41 N 1.20 5.65 0.41 2.97 2.96 -1.26 0.98 118.68 131.59 1n3g s LEU 41 Ca 0.01 -1.94 0.07 0.00 -0.22 0.00 0.00 54.13 52.05 1n3g s LEU 41 Cb -0.21 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 1n3g s LEU 41 CO -0.02 -0.67 0.19 -0.44 -1.32 0.00 0.00 176.35 174.08 1n3g s SER 42 N 2.55 4.44 -0.27 3.68 0.01 -1.06 -3.73 113.70 119.31 1n3g s SER 42 Ca 0.06 -1.07 -0.09 0.00 1.31 0.00 0.00 55.95 56.16 1n3g s SER 42 Cb -0.26 -0.48 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 1n3g s SER 42 CO -0.01 -0.55 0.12 -0.75 0.41 0.00 0.00 173.24 172.46 1n3g s LYS 43 N -3.91 3.63 -0.08 12.44 2.36 -1.26 0.13 119.74 133.05 1n3g s LYS 43 Ca 0.41 -0.51 -0.00 0.00 -2.55 0.00 0.00 55.97 53.32 1n3g s LYS 43 Cb 0.04 -3.47 -0.03 0.00 -1.05 0.00 0.00 37.83 33.31 1n3g s LYS 43 CO 0.23 -0.25 -0.05 -1.21 1.55 0.00 0.00 175.35 175.61 1n3g s GLU 44 N 1.65 2.85 0.19 4.03 2.02 0.25 -4.86 118.70 124.83 1n3g s GLU 44 Ca 0.06 -0.51 -0.05 0.00 0.02 0.00 0.00 54.97 54.49 1n3g s GLU 44 Cb -0.16 -2.65 0.33 0.00 0.10 0.00 0.00 34.13 31.75 1n3g s GLU 44 CO 0.06 0.65 1.08 -2.30 0.02 0.00 0.00 175.26 174.77 1n3g n PRO 45 N 2.27 -0.06 -1.36 0.39 -0.01 -1.26 0.11 135.00 135.08 1n3g n PRO 45 Ca -0.18 1.08 -0.33 0.00 -0.01 0.00 0.00 63.50 64.05 1n3g n PRO 45 Cb 0.53 -1.61 0.09 0.00 -0.01 0.00 0.00 33.50 32.49 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 -5.12 2.70 0.00 -0.52 -0.06 -1.26 -5.01 117.38 108.11 1n3g n GLN 46 Ca 0.11 -3.32 0.00 0.00 -2.00 0.00 0.00 57.00 51.80 1n3g n GLN 46 Cb 0.36 -2.28 0.00 0.00 -4.06 0.00 0.00 30.24 24.26 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 -0.93 2.39 3.80 1.69 0.00 0.31 -4.01 105.19 108.44 1n3g n GLY 47 Ca 0.61 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 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 2.95 -0.87 1.61 0.08 0.29 0.88 117.98 121.10 1n3g s PHE 48 Ca 0.00 1.49 -0.00 0.00 0.12 0.00 0.00 56.93 58.54 1n3g s PHE 48 Cb 0.00 -2.98 0.24 0.00 -0.57 0.00 0.00 43.02 39.71 1n3g s PHE 48 CO 0.00 -1.28 0.90 0.28 -0.10 0.00 0.00 175.22 175.01 1n3g n VAL 49 N -2.63 3.27 -2.03 -0.44 0.31 0.35 -2.51 118.33 114.64 1n3g n VAL 49 Ca 0.08 -5.28 -0.29 0.00 -0.01 0.00 0.00 64.34 58.84 1n3g n VAL 49 Cb 0.53 -2.26 -0.06 0.00 -0.91 0.00 0.00 33.84 31.14 1n3g n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n3g n ALA 50 N 1.79 1.95 -3.17 3.52 0.00 0.23 -2.57 120.51 122.27 1n3g n ALA 50 Ca 0.24 -3.06 -0.45 0.00 0.00 0.00 0.00 53.44 50.18 1n3g n ALA 50 Cb 0.37 -3.49 -0.00 0.00 0.00 0.00 0.00 19.45 16.33 1n3g n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n3g s ASP 51 N 6.32 7.14 -0.42 0.00 1.01 0.28 0.71 116.67 131.71 1n3g s ASP 51 Ca 0.67 -3.20 -0.14 0.00 0.71 0.00 0.00 52.55 50.59 1n3g s ASP 51 Cb 0.00 -2.29 0.04 0.00 1.01 0.00 0.00 42.92 41.68 1n3g s ASP 51 CO 0.13 -0.53 0.31 0.00 0.21 0.00 0.00 175.17 175.30 1n3g s ALA 52 N 0.16 3.47 -0.22 5.23 0.00 0.92 -0.18 121.76 131.14 1n3g s ALA 52 Ca 0.34 -1.87 -0.06 0.00 0.00 0.00 0.00 51.96 50.38 1n3g s ALA 52 Cb -0.07 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 1n3g s ALA 52 CO -0.05 -1.54 0.02 0.99 0.00 0.00 0.00 175.76 175.17 1n3g s THR 53 N 1.64 3.98 -0.05 0.00 2.01 0.43 -1.32 115.64 122.33 1n3g s THR 53 Ca 0.04 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.77 1n3g s THR 53 Cb -0.21 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1n3g s THR 53 CO 0.08 0.40 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.70 1n3g s ILE 54 N 1.24 3.55 -0.73 1.82 1.01 -0.65 0.12 121.20 127.56 1n3g s ILE 54 Ca 0.04 -0.60 -0.22 0.00 0.00 0.00 0.00 60.65 59.87 1n3g s ILE 54 Cb -0.15 -2.46 0.08 0.00 0.01 0.00 0.00 42.46 39.95 1n3g s ILE 54 CO 0.01 0.55 1.02 0.21 0.00 0.00 0.00 174.94 176.73 1n3g s ASN 55 N -0.93 6.29 0.36 3.58 3.04 -1.08 -0.87 114.94 125.33 1n3g s ASN 55 Ca 0.13 -1.26 -0.01 0.00 0.04 0.00 0.00 52.86 51.76 1n3g s ASN 55 Cb -0.11 -2.42 -0.04 0.00 -1.54 0.00 0.00 41.25 37.15 1n3g s ASN 55 CO 0.02 -1.35 0.59 0.42 -3.04 0.00 0.00 177.10 173.74 1n3g s THR 56 N 3.76 5.06 0.61 -5.21 -4.23 0.34 -2.44 115.64 113.53 1n3g s THR 56 Ca 0.25 -0.28 0.33 0.00 -1.18 0.00 0.00 61.69 60.82 1n3g s THR 56 Cb -0.14 -3.84 0.38 0.00 1.34 0.00 0.00 72.50 70.24 1n3g s THR 56 CO 0.05 -0.57 2.23 1.55 -0.54 0.00 0.00 174.62 177.33 1n3g h PRO 57 N 0.80 0.00 -0.66 3.99 0.13 -1.94 -0.79 132.00 133.53 1n3g h PRO 57 Ca -0.49 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.30 1n3g h PRO 57 Cb 1.21 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 1n3g h PRO 57 CO 0.62 0.00 0.26 0.09 -0.23 0.00 0.00 178.00 178.74 1n3g n ASN 58 N -3.60 3.12 0.00 1.44 3.02 -1.26 -5.05 115.26 112.93 1n3g n ASN 58 Ca -0.02 -3.72 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 1n3g n ASN 58 Cb 0.15 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 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 -1.13 0.09 3.21 7.41 0.00 -0.30 -4.86 105.19 109.60 1n3g n GLY 59 Ca 0.46 -2.29 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.26 3.04 -0.54 1.61 1.01 -1.26 0.13 120.40 124.13 1n3g s VAL 60 Ca 0.00 -1.13 -0.28 0.00 0.00 0.00 0.00 61.98 60.57 1n3g s VAL 60 Cb 0.00 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.78 1n3g s VAL 60 CO 0.00 0.07 1.21 -0.76 0.00 0.00 0.00 175.10 175.62 1n3g s LEU 61 N 1.32 3.51 -0.59 3.92 1.43 -0.05 -4.83 118.68 123.38 1n3g s LEU 61 Ca -0.02 0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 53.18 1n3g s LEU 61 Cb -0.18 -3.31 0.11 0.00 0.03 0.00 0.00 46.19 42.84 1n3g s LEU 61 CO -0.02 -1.43 0.69 0.54 0.23 0.00 0.00 176.35 176.36 1n3g s VAL 62 N 4.92 4.84 -0.38 -1.59 0.11 -1.26 -1.63 120.40 125.41 1n3g s VAL 62 Ca 0.47 -1.03 -0.17 0.00 -2.93 0.00 0.00 61.98 58.31 1n3g s VAL 62 Cb -0.08 -4.48 0.01 0.00 -1.53 0.00 0.00 36.38 30.29 1n3g s VAL 62 CO 0.28 -1.12 0.45 0.00 -3.33 0.00 0.00 175.10 171.38 1n3g s ALA 63 N 2.62 3.45 -0.38 1.54 0.00 -0.43 -4.93 121.76 123.62 1n3g s ALA 63 Ca 0.11 -1.29 -0.07 0.00 0.00 0.00 0.00 51.96 50.71 1n3g s ALA 63 Cb -0.24 -2.99 0.07 0.00 0.00 0.00 0.00 23.12 19.95 1n3g s ALA 63 CO 0.06 -1.36 0.19 -1.12 0.00 0.00 0.00 175.76 173.52 1n3g s SER 64 N 1.79 5.45 -0.17 0.00 0.01 -1.24 -0.06 113.70 119.49 1n3g s SER 64 Ca 0.14 -1.43 -0.16 0.00 1.31 0.00 0.00 55.95 55.81 1n3g s SER 64 Cb -0.16 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1n3g s SER 64 CO 0.13 -0.45 0.40 -0.83 0.41 0.00 0.00 173.24 172.91 1n3g s GLY 65 N 1.79 2.20 -0.22 3.44 0.00 0.22 -4.77 107.32 109.98 1n3g s GLY 65 Ca 0.02 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.35 1n3g s GLY 65 CO 0.01 0.74 -0.14 1.25 0.00 0.00 0.00 173.10 174.96 1n3g s LYS 66 N 0.96 2.47 -0.26 2.90 2.20 -1.24 0.77 119.74 127.54 1n3g s LYS 66 Ca 0.21 -1.04 -0.27 0.00 -0.36 0.00 0.00 55.97 54.50 1n3g s LYS 66 Cb -0.14 -2.66 0.17 0.00 -1.51 0.00 0.00 37.83 33.68 1n3g s LYS 66 CO 0.08 -0.40 1.27 -1.58 -0.36 0.00 0.00 175.35 174.35 1n3g s HIS 67 N 1.24 -0.17 0.19 4.03 2.46 -1.04 -4.89 115.29 117.10 1n3g s HIS 67 Ca -0.02 0.36 -0.11 0.00 0.47 0.00 0.00 55.06 55.76 1n3g s HIS 67 Cb -0.17 0.46 0.10 0.00 -0.13 0.00 0.00 32.58 32.85 1n3g s HIS 67 CO -0.09 -0.12 1.78 1.49 -2.47 0.00 0.00 174.74 175.33 1n3g h GLU 68 N 2.80 0.93 -6.44 2.88 4.57 -1.87 0.83 114.58 118.29 1n3g h GLU 68 Ca -0.19 -0.13 -0.54 0.00 -1.18 0.00 0.00 59.36 57.33 1n3g h GLU 68 Cb 1.18 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1n3g h GLU 68 CO 0.21 0.73 0.72 -0.51 -1.18 0.00 0.00 179.01 178.98 1n3g s ASP 69 N -6.03 6.92 0.11 1.04 1.01 -1.26 -4.57 116.67 113.90 1n3g s ASP 69 Ca -0.13 2.11 -0.21 0.00 0.71 0.00 0.00 52.55 55.03 1n3g s ASP 69 Cb 0.14 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.40 1n3g s ASP 69 CO 0.79 -0.63 1.76 0.00 0.21 0.00 0.00 175.17 177.31 1n3g h MET 70 N 7.29 0.16 -0.37 8.23 -0.00 -2.01 -1.24 114.93 126.99 1n3g h MET 70 Ca -0.39 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.70 59.26 1n3g h MET 70 Cb 1.19 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 32.74 1n3g h MET 70 CO 0.87 0.11 0.09 1.88 -0.00 0.00 0.00 176.91 179.86 1n3g h TYR 71 N 0.17 0.54 -0.15 -0.10 0.05 -1.95 -1.26 116.97 114.27 1n3g h TYR 71 Ca 0.05 -0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.71 1n3g h TYR 71 Cb -0.02 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 1n3g h TYR 71 CO -0.07 0.48 -0.27 1.15 -1.05 0.00 0.00 178.16 178.40 1n3g h THR 72 N 0.53 1.25 -0.23 -2.88 2.02 -1.82 -1.46 112.91 110.31 1n3g h THR 72 Ca 0.12 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 1n3g h THR 72 Cb 0.20 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1n3g h THR 72 CO -0.00 0.36 0.11 0.00 0.37 0.00 0.00 175.52 176.35 1n3g h ALA 73 N 1.48 0.30 0.00 6.16 0.00 -0.04 -0.82 119.26 126.34 1n3g h ALA 73 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1n3g h ALA 73 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n3g h ALA 73 CO 0.04 -0.13 0.00 0.82 0.00 0.00 0.00 179.25 179.99 1n3g h ILE 74 N 0.24 0.00 0.03 0.00 1.08 -1.19 -2.36 117.51 115.31 1n3g h ILE 74 Ca 0.08 -0.42 -0.23 0.00 -0.39 0.00 0.00 64.86 63.90 1n3g h ILE 74 Cb 0.13 1.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.26 1n3g h ILE 74 CO -0.01 0.00 -0.99 0.78 -0.69 0.00 0.00 178.15 177.24 1n3g h ASN 75 N 0.00 0.45 0.72 1.72 2.35 -0.20 -2.48 115.58 118.14 1n3g h ASN 75 Ca 0.00 -0.38 -0.20 0.00 -0.55 0.00 0.00 56.30 55.17 1n3g h ASN 75 Cb 0.43 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1n3g h ASN 75 CO 0.00 1.21 -0.90 -0.08 -1.65 0.00 0.00 177.43 176.01 1n3g h GLU 76 N 0.17 0.11 0.00 0.81 4.57 -0.73 -2.76 114.58 116.76 1n3g h GLU 76 Ca -0.08 -0.13 -0.22 0.00 -1.18 0.00 0.00 59.36 57.75 1n3g h GLU 76 Cb 1.65 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 30.28 1n3g h GLU 76 CO 0.17 0.93 -0.92 1.25 -1.18 0.00 0.00 179.01 179.26 1n3g h LEU 77 N 0.06 0.43 0.13 1.64 7.12 -1.48 -2.49 115.31 120.71 1n3g h LEU 77 Ca -0.03 -0.35 -0.01 0.00 0.13 0.00 0.00 57.88 57.62 1n3g h LEU 77 Cb 1.56 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.56 1n3g h LEU 77 CO 0.13 1.15 -0.06 -0.29 -0.13 0.00 0.00 178.44 179.24 1n3g h ILE 78 N 0.18 0.99 -0.70 4.05 6.09 -1.49 -2.77 117.51 123.87 1n3g h ILE 78 Ca -0.07 -1.18 -0.02 0.00 -1.37 0.00 0.00 64.86 62.23 1n3g h ILE 78 Cb 1.56 1.65 -0.03 0.00 0.47 0.00 0.00 36.82 40.47 1n3g h ILE 78 CO 0.15 0.25 0.37 -0.55 -3.07 0.00 0.00 178.15 175.31 1n3g h ASN 79 N -0.79 0.87 0.77 2.19 -1.07 -1.61 -2.65 115.58 113.27 1n3g h ASN 79 Ca -0.02 -0.07 -0.03 0.00 0.07 0.00 0.00 56.30 56.25 1n3g h ASN 79 Cb 0.55 -0.22 -0.00 0.00 -2.07 0.00 0.00 38.32 36.57 1n3g h ASN 79 CO 0.03 0.71 -0.46 0.50 0.07 0.00 0.00 177.43 178.28 1n3g h LYS 80 N 0.97 -1.11 -0.87 4.14 3.64 -1.51 -2.55 116.57 119.28 1n3g h LYS 80 Ca 0.25 0.08 0.22 0.00 -1.27 0.00 0.00 60.65 59.92 1n3g h LYS 80 Cb 0.04 0.25 -0.13 0.00 -0.41 0.00 0.00 32.23 31.98 1n3g h LYS 80 CO -0.04 -0.74 0.32 -0.07 -2.27 0.00 0.00 179.45 176.66 1n3g h LEU 81 N -1.15 0.19 0.00 5.20 3.38 -1.36 0.95 115.31 122.52 1n3g h LEU 81 Ca -0.10 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1n3g h LEU 81 Cb 0.92 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1n3g h LEU 81 CO 0.11 -0.06 0.00 -0.62 0.09 0.00 0.00 178.44 177.96 1n3g n GLU 82 N -5.12 0.00 -0.34 1.13 1.02 -1.01 0.12 120.64 116.44 1n3g n GLU 82 Ca 0.21 0.44 0.21 0.00 -0.02 0.00 0.00 57.16 58.00 1n3g n GLU 82 Cb 0.65 -1.28 0.46 0.00 -0.02 0.00 0.00 31.44 31.25 1n3g n GLU 82 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1n3g h ARG 83 N 0.00 0.45 0.00 3.49 9.65 -1.20 0.99 114.38 127.76 1n3g h ARG 83 Ca 0.00 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.78 1n3g h ARG 83 Cb 0.00 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.47 1n3g h ARG 83 CO 0.00 0.30 -0.34 0.37 2.80 0.00 0.00 179.97 183.11 1n3g h GLN 84 N 0.47 0.00 0.20 0.20 4.15 -0.47 -2.69 115.11 116.97 1n3g h GLN 84 Ca 0.62 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 60.03 1n3g h GLN 84 Cb 1.41 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.10 1n3g h GLN 84 CO -0.38 0.34 -0.10 1.25 -1.93 0.00 0.00 178.83 178.01 1n3g h LEU 85 N 0.00 -0.23 -0.85 -2.39 6.46 0.88 -2.62 115.31 116.56 1n3g h LEU 85 Ca -0.00 0.01 0.21 0.00 -0.12 0.00 0.00 57.88 57.97 1n3g h LEU 85 Cb 0.63 0.06 -0.12 0.00 -0.73 0.00 0.00 40.66 40.49 1n3g h LEU 85 CO 0.04 0.06 0.31 -0.55 -0.62 0.00 0.00 178.44 177.68 1n3g h ASN 86 N -0.70 0.19 0.25 1.25 7.08 -1.42 1.16 115.58 123.38 1n3g h ASN 86 Ca -0.03 0.16 -0.01 0.00 -3.08 0.00 0.00 56.30 53.34 1n3g h ASN 86 Cb 0.20 0.18 0.00 0.00 -2.08 0.00 0.00 38.32 36.62 1n3g h ASN 86 CO 0.04 -0.04 -0.12 0.50 -2.08 0.00 0.00 177.43 175.73 1n3g h LYS 87 N 0.33 -0.32 -0.28 4.14 3.11 -1.59 0.40 116.57 122.35 1n3g h LYS 87 Ca 0.52 0.02 0.06 0.00 -2.81 0.00 0.00 60.65 58.45 1n3g h LYS 87 Cb 0.98 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.27 1n3g h LYS 87 CO -0.55 -0.22 0.20 1.25 -2.81 0.00 0.00 179.45 177.32 1n3g h LEU 88 N -0.34 0.09 -0.24 5.20 6.46 -1.07 -1.68 115.31 123.72 1n3g h LEU 88 Ca -0.03 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.55 1n3g h LEU 88 Cb 0.26 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1n3g h LEU 88 CO 0.06 0.06 -0.53 -0.61 -0.62 0.00 0.00 178.44 176.80 1n3g h GLN 89 N 0.10 0.78 -2.27 1.25 5.75 0.15 -3.29 115.11 117.58 1n3g h GLN 89 Ca 0.13 -0.52 -0.24 0.00 -0.15 0.00 0.00 58.65 57.87 1n3g h GLN 89 Cb 0.39 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.96 1n3g h GLN 89 CO -0.01 1.14 0.34 1.58 -2.65 0.00 0.00 178.83 179.23 1n3g n HIS 90 N -4.08 0.36 0.07 3.99 -0.00 0.14 -3.60 115.22 112.10 1n3g n HIS 90 Ca -0.05 -1.59 0.00 0.00 0.46 0.00 0.00 57.72 56.54 1n3g n HIS 90 Cb 0.61 -1.61 0.00 0.00 -0.12 0.00 0.00 29.99 28.87 1n3g n HIS 90 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1n3g n LYS 91 N 2.75 0.00 -2.86 1.57 4.76 -1.24 -4.98 118.16 118.16 1n3g n LYS 91 Ca 0.44 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.85 1n3g n LYS 91 Cb 0.72 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.92 1n3g n LYS 91 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n3g n GLY 92 N 1.09 -2.95 2.62 0.72 0.00 -1.24 -5.02 105.19 100.41 1n3g n GLY 92 Ca 0.00 0.50 -0.23 0.00 0.00 0.00 0.00 46.02 46.30 1n3g n GLY 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n3g s GLU 93 N -1.67 0.58 0.00 1.61 -1.05 -1.26 -5.14 118.70 111.77 1n3g s GLU 93 Ca 0.05 -1.03 0.00 0.00 -0.15 0.00 0.00 54.97 53.83 1n3g s GLU 93 Cb -0.01 -0.98 0.00 0.00 -0.44 0.00 0.00 34.13 32.70 1n3g s GLU 93 CO 0.64 -1.19 0.00 0.00 0.95 0.00 0.00 175.26 175.65 1n3g n ALA 94 N 4.21 0.00 0.00 -0.84 0.00 -1.26 -5.06 120.51 117.57 1n3g n ALA 94 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1n3g n ALA 94 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.76 0.00 -1.94 0.00 5.12 -1.26 -5.02 116.66 112.80 1n3g n ARG 95 Ca 0.00 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.55 1n3g n ARG 95 Cb 0.00 -0.04 -0.03 0.00 -1.16 0.00 0.00 32.46 31.23 1n3g n ARG 95 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1n3g s ARG 96 N -1.92 2.50 -0.01 5.56 3.52 -1.26 -4.82 118.95 122.53 1n3g s ARG 96 Ca 0.00 0.70 -0.21 0.00 -0.13 0.00 0.00 55.73 56.09 1n3g s ARG 96 Cb 0.00 -4.48 -0.21 0.00 -1.56 0.00 0.00 34.95 28.71 1n3g s ARG 96 CO 0.00 -2.91 1.14 0.00 -0.81 0.00 0.00 175.30 172.72 1n3g h ALA 97 N 15.60 0.10 -1.32 6.12 0.00 -2.01 -3.48 119.26 134.27 1n3g h ALA 97 Ca -0.23 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.21 1n3g h ALA 97 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1n3g h ALA 97 CO 1.20 0.20 -0.01 0.00 0.00 0.00 0.00 179.25 180.64 1n3g n ALA 98 N -2.53 -0.06 -1.00 0.00 0.00 -1.26 -4.48 120.51 111.18 1n3g n ALA 98 Ca -0.09 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 1n3g n ALA 98 Cb 0.53 -0.02 0.17 0.00 0.00 0.00 0.00 19.45 20.13 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 -0.04 2.39 -0.63 0.00 -1.32 -1.26 -4.89 115.64 109.90 1n3g s THR 99 Ca 0.00 0.13 0.25 0.00 -1.21 0.00 0.00 61.69 60.86 1n3g s THR 99 Cb 0.00 -2.47 0.28 0.00 -1.51 0.00 0.00 72.50 68.80 1n3g s THR 99 CO 0.00 -0.17 1.76 -1.54 -2.21 0.00 0.00 174.62 172.46 1n3g n SER 100 N -4.17 0.81 0.14 8.08 3.41 -1.26 -3.11 113.62 117.51 1n3g n SER 100 Ca 0.07 0.61 0.01 0.00 -0.26 0.00 0.00 58.87 59.30 1n3g n SER 100 Cb 0.55 -0.82 0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1n3g n SER 100 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1n3g h VAL 101 N 0.00 1.11 0.00 -3.33 -1.51 -1.96 -3.40 116.25 107.16 1n3g h VAL 101 Ca 0.00 -2.18 0.00 0.00 -1.23 0.00 0.00 66.70 63.29 1n3g h VAL 101 Cb 0.63 2.28 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 1n3g h VAL 101 CO 0.00 0.55 0.00 0.29 -1.23 0.00 0.00 177.57 177.18 1n3g n LYS 102 N -3.44 0.00 -2.12 5.19 4.76 -1.18 -4.79 118.16 116.58 1n3g n LYS 102 Ca 0.00 0.11 -0.40 0.00 -2.87 0.00 0.00 58.31 55.16 1n3g n LYS 102 Cb 0.67 -0.48 -0.03 0.00 -1.84 0.00 0.00 35.03 33.35 1n3g n LYS 102 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1n3g s ASP 103 N -2.02 5.54 -1.11 4.39 -1.08 -1.20 -4.85 116.67 116.35 1n3g s ASP 103 Ca 0.00 0.40 -0.18 0.00 -0.52 0.00 0.00 52.55 52.25 1n3g s ASP 103 Cb 0.00 -2.53 0.11 0.00 -1.46 0.00 0.00 42.92 39.04 1n3g s ASP 103 CO 0.00 -2.15 1.41 0.00 0.52 0.00 0.00 175.17 174.95 1n3g s ALA 104 N 8.12 3.40 0.20 3.66 0.00 -1.26 -4.72 121.76 131.16 1n3g s ALA 104 Ca 0.64 -2.86 -0.00 0.00 0.00 0.00 0.00 51.96 49.74 1n3g s ALA 104 Cb -0.13 -4.30 0.15 0.00 0.00 0.00 0.00 23.12 18.84 1n3g s ALA 104 CO 0.23 -3.12 1.51 -0.91 0.00 0.00 0.00 175.76 173.46 1n3g h ASN 105 N 8.29 0.47 0.53 0.00 2.35 -1.91 -3.22 115.58 122.10 1n3g h ASN 105 Ca 0.27 -0.27 -0.29 0.00 -0.55 0.00 0.00 56.30 55.46 1n3g h ASN 105 Cb 0.94 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 39.18 1n3g h ASN 105 CO 1.29 0.97 -1.35 -0.26 -1.65 0.00 0.00 177.43 176.42 1n3g h PHE 106 N 0.31 0.56 -3.86 1.19 -1.00 -1.97 -3.47 116.94 108.70 1n3g h PHE 106 Ca -0.01 -0.41 0.00 0.00 2.81 0.00 0.00 57.97 60.37 1n3g h PHE 106 Cb 1.14 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.68 1n3g h PHE 106 CO 0.04 1.35 0.00 0.28 -1.61 0.00 0.00 178.31 178.37 1n3g n VAL 107 N -3.54 0.00 -2.21 -0.55 0.31 -1.21 -5.15 118.33 105.97 1n3g n VAL 107 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1n3g n VAL 107 Cb 1.04 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 1n3g n VAL 107 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1n3g n GLU 108 N -0.62 2.28 -2.07 5.55 0.28 -1.26 -4.76 120.64 120.02 1n3g n GLU 108 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 1n3g n GLU 108 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1n3g n GLU 108 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1n3g s GLU 109 N 1.29 4.26 -0.44 3.44 2.56 -1.26 -4.61 118.70 123.93 1n3g s GLU 109 Ca 0.00 2.17 0.04 0.00 0.00 0.00 0.00 54.97 57.18 1n3g s GLU 109 Cb 0.00 -3.39 0.12 0.00 2.00 0.00 0.00 34.13 32.85 1n3g s GLU 109 CO 0.00 -0.58 0.17 0.08 -0.56 0.00 0.00 175.26 174.37 1n3g s VAL 110 N 1.80 2.45 -1.16 3.70 1.01 -1.26 -5.03 120.40 121.90 1n3g s VAL 110 Ca 0.68 -2.89 -0.15 0.00 0.00 0.00 0.00 61.98 59.62 1n3g s VAL 110 Cb -0.38 -2.75 0.15 0.00 0.00 0.00 0.00 36.38 33.41 1n3g s VAL 110 CO 0.30 -0.71 1.41 -1.83 0.00 0.00 0.00 175.10 174.27 1n3g s GLU 111 N 0.24 3.98 -0.89 2.72 1.03 -1.26 -4.87 118.70 119.66 1n3g s GLU 111 Ca 0.14 -2.35 -0.04 0.00 0.03 0.00 0.00 54.97 52.75 1n3g s GLU 111 Cb -0.23 -5.09 0.16 0.00 -0.80 0.00 0.00 34.13 28.18 1n3g s GLU 111 CO -0.04 -1.82 2.39 -0.85 -1.33 0.00 0.00 175.26 173.61 1n3g n GLU 112 N 6.12 3.65 0.00 -4.83 0.00 -1.26 -5.34 120.64 118.99 1n3g n GLU 112 Ca 0.35 -3.25 0.14 0.00 0.00 0.00 0.00 57.16 54.40 1n3g n GLU 112 Cb 0.44 -2.37 0.50 0.00 0.00 0.00 0.00 31.44 30.01 1n3g n GLU 112 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28