#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3g h THR 2 N 0.00 1.22 -4.86 3.17 2.02 -1.80 -3.49 112.91 109.17 1n3g h THR 2 Ca 0.00 -2.77 0.00 0.00 0.77 0.00 0.00 66.41 64.41 1n3g h THR 2 Cb 0.00 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1n3g h THR 2 CO 0.00 0.70 -0.32 0.80 0.37 0.00 0.00 175.52 177.07 1n3g n MET 3 N -3.25 -1.74 -3.60 6.66 0.00 -1.26 -4.99 117.12 108.93 1n3g n MET 3 Ca -0.00 1.71 -0.40 0.00 -0.00 0.00 0.00 57.70 59.01 1n3g n MET 3 Cb 0.85 -4.90 -0.11 0.00 0.00 0.00 0.00 33.22 29.05 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 -2.41 5.77 -0.25 6.12 0.02 0.15 -5.02 114.94 119.32 1n3g s ASN 4 Ca 0.16 -0.59 -0.01 0.00 -1.02 0.00 0.00 52.86 51.40 1n3g s ASN 4 Cb -0.04 -2.06 0.07 0.00 0.02 0.00 0.00 41.25 39.24 1n3g s ASN 4 CO 0.62 -0.25 0.02 -0.63 0.02 0.00 0.00 177.10 176.88 1n3g s ILE 5 N 1.64 1.06 -0.25 0.60 1.01 -1.26 0.30 121.20 124.30 1n3g s ILE 5 Ca 0.05 -1.11 -0.00 0.00 0.00 0.00 0.00 60.65 59.59 1n3g s ILE 5 Cb -0.18 -1.56 0.07 0.00 0.01 0.00 0.00 42.46 40.81 1n3g s ILE 5 CO 0.08 -0.32 0.01 -0.89 0.00 0.00 0.00 174.94 173.82 1n3g s THR 6 N 1.58 1.24 0.19 2.92 2.01 -0.64 -4.96 115.64 117.98 1n3g s THR 6 Ca 0.01 -1.24 -0.07 0.00 0.31 0.00 0.00 61.69 60.70 1n3g s THR 6 Cb -0.18 -1.70 -0.06 0.00 0.01 0.00 0.00 72.50 70.57 1n3g s THR 6 CO -0.12 -0.31 0.46 -0.44 -0.69 0.00 0.00 174.62 173.52 1n3g s SER 7 N 1.49 6.55 -0.14 3.53 0.01 -1.26 -3.97 113.70 119.91 1n3g s SER 7 Ca 0.01 0.73 -0.06 0.00 1.31 0.00 0.00 55.95 57.94 1n3g s SER 7 Cb -0.18 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1n3g s SER 7 CO -0.11 -0.01 0.08 -0.75 0.41 0.00 0.00 173.24 172.85 1n3g s LYS 8 N -2.77 3.56 -1.15 12.44 2.20 -1.24 -4.38 119.74 128.40 1n3g s LYS 8 Ca 0.44 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1n3g s LYS 8 Cb -0.12 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1n3g s LYS 8 CO 0.23 0.56 0.00 1.04 -0.36 0.00 0.00 175.35 176.82 1n3g n GLN 9 N 2.65 -1.78 -3.63 4.03 3.00 -1.26 -3.74 117.38 116.65 1n3g n GLN 9 Ca -0.18 0.65 -0.03 0.00 -0.01 0.00 0.00 57.00 57.42 1n3g n GLN 9 Cb 0.53 -5.07 -0.03 0.00 0.00 0.00 0.00 30.24 25.67 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 -4.09 0.16 0.41 -1.09 0.00 -1.26 -4.73 119.30 108.70 1n3g s MET 10 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 55.69 55.76 1n3g s MET 10 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 34.83 34.88 1n3g s MET 10 CO 0.00 -0.06 0.33 -1.21 0.00 0.00 0.00 175.02 174.09 1n3g s GLU 11 N -1.51 2.47 -0.08 4.11 2.02 -1.26 -4.25 118.70 120.19 1n3g s GLU 11 Ca 0.08 -1.60 -0.29 0.00 0.02 0.00 0.00 54.97 53.19 1n3g s GLU 11 Cb -0.01 -2.29 -0.02 0.00 0.10 0.00 0.00 34.13 31.91 1n3g s GLU 11 CO -0.05 -0.17 0.95 0.42 0.02 0.00 0.00 175.26 176.43 1n3g s ILE 12 N -2.50 4.84 0.32 -1.63 -1.09 -1.26 -5.01 121.20 114.87 1n3g s ILE 12 Ca 0.47 1.95 -0.01 0.00 -2.23 0.00 0.00 60.65 60.82 1n3g s ILE 12 Cb -0.02 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 1n3g s ILE 12 CO 0.27 0.07 0.54 0.42 -1.23 0.00 0.00 174.94 175.00 1n3g s THR 13 N 1.68 5.09 0.28 2.92 -4.23 -1.26 -4.88 115.64 115.24 1n3g s THR 13 Ca 0.47 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.69 1n3g s THR 13 Cb -0.19 -3.82 0.27 0.00 1.34 0.00 0.00 72.50 70.10 1n3g s THR 13 CO 0.20 -0.46 1.77 1.55 -0.54 0.00 0.00 174.62 177.13 1n3g h PRO 14 N 1.12 0.66 -0.41 3.99 0.13 -1.98 0.21 132.00 135.72 1n3g h PRO 14 Ca -0.49 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 1n3g h PRO 14 Cb 1.21 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1n3g h PRO 14 CO 0.63 0.44 0.12 0.00 -0.23 0.00 0.00 178.00 178.96 1n3g h ALA 15 N 1.60 0.53 0.12 -0.56 0.00 -2.00 -2.06 119.26 116.90 1n3g h ALA 15 Ca 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1n3g h ALA 15 Cb 0.75 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1n3g h ALA 15 CO -0.37 0.18 -0.06 0.82 0.00 0.00 0.00 179.25 179.82 1n3g h ILE 16 N 0.51 1.06 -0.49 0.00 2.04 -1.63 -2.75 117.51 116.25 1n3g h ILE 16 Ca 0.13 -0.86 0.14 0.00 1.00 0.00 0.00 64.86 65.27 1n3g h ILE 16 Cb 0.27 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1n3g h ILE 16 CO -0.00 0.20 0.39 0.08 0.00 0.00 0.00 178.15 178.82 1n3g h ARG 17 N -0.58 0.00 0.36 2.37 -0.00 -0.65 -1.90 114.38 113.97 1n3g h ARG 17 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.95 1n3g h ARG 17 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.43 1n3g h ARG 17 CO 0.03 0.00 -0.17 0.37 -0.00 0.00 0.00 179.97 180.20 1n3g h GLN 18 N 0.00 -0.46 -0.19 0.08 5.75 -1.23 -1.70 115.11 117.36 1n3g h GLN 18 Ca 0.23 0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.81 1n3g h GLN 18 Cb 1.02 0.11 -0.07 0.00 1.07 0.00 0.00 27.48 29.60 1n3g h GLN 18 CO -0.00 -0.16 -0.39 0.45 -2.65 0.00 0.00 178.83 176.08 1n3g h HIS 19 N -0.97 -1.10 -0.27 3.99 3.86 -1.07 0.19 115.15 119.78 1n3g h HIS 19 Ca -0.05 0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 1n3g h HIS 19 Cb 0.52 0.51 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 1n3g h HIS 19 CO 0.03 -0.44 0.19 -0.39 0.86 0.00 0.00 177.93 178.17 1n3g h VAL 20 N -0.43 0.91 0.46 2.45 -1.51 -1.49 -0.62 116.25 116.03 1n3g h VAL 20 Ca 0.10 -0.03 -0.02 0.00 -1.23 0.00 0.00 66.70 65.51 1n3g h VAL 20 Cb 0.59 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 1n3g h VAL 20 CO -0.42 0.02 -0.22 0.00 -1.23 0.00 0.00 177.57 175.71 1n3g h ALA 21 N 1.86 -0.62 -0.44 5.19 0.00 0.24 0.95 119.26 126.44 1n3g h ALA 21 Ca 0.12 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1n3g h ALA 21 Cb 0.37 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1n3g h ALA 21 CO -0.01 -0.67 0.29 0.38 0.00 0.00 0.00 179.25 179.24 1n3g h ASP 22 N -0.98 0.45 -0.03 0.00 3.04 -0.58 -0.92 116.42 117.40 1n3g h ASP 22 Ca -0.06 -0.01 -0.02 0.00 -3.24 0.00 0.00 57.03 53.70 1n3g h ASP 22 Cb 0.58 -0.11 -0.00 0.00 -1.04 0.00 0.00 39.33 38.76 1n3g h ASP 22 CO 0.10 0.32 -0.04 -0.09 -2.04 0.00 0.00 179.24 177.49 1n3g h ARG 23 N 0.53 0.08 -0.22 4.15 2.43 -1.08 -2.56 114.38 117.71 1n3g h ARG 23 Ca 0.17 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1n3g h ARG 23 Cb 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1n3g h ARG 23 CO -0.04 0.58 0.15 1.25 -1.51 0.00 0.00 179.97 180.39 1n3g h LEU 24 N -0.40 0.19 -0.33 3.80 5.85 -0.37 -1.89 115.31 122.16 1n3g h LEU 24 Ca 0.00 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1n3g h LEU 24 Cb 0.57 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1n3g h LEU 24 CO 0.01 0.14 -0.20 0.00 -0.34 0.00 0.00 178.44 178.04 1n3g h ALA 25 N 1.87 0.47 -0.81 1.25 0.00 -1.10 -3.04 119.26 117.90 1n3g h ALA 25 Ca 0.09 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1n3g h ALA 25 Cb 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1n3g h ALA 25 CO -0.02 0.42 0.53 0.87 0.00 0.00 0.00 179.25 181.05 1n3g h LYS 26 N 0.49 1.03 -0.09 0.00 1.79 -0.93 -0.83 116.57 118.03 1n3g h LYS 26 Ca 0.07 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1n3g h LYS 26 Cb 0.75 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1n3g h LYS 26 CO 0.06 0.68 0.10 1.25 -1.08 0.00 0.00 179.45 180.45 1n3g h LEU 27 N 1.06 0.00 -1.30 2.94 7.12 -1.34 -2.00 115.31 121.79 1n3g h LEU 27 Ca 0.30 0.00 0.21 0.00 0.13 0.00 0.00 57.88 58.52 1n3g h LEU 27 Cb -0.07 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 39.97 1n3g h LEU 27 CO -0.07 0.00 0.62 -0.08 -0.13 0.00 0.00 178.44 178.77 1n3g h GLU 28 N 0.00 0.53 0.00 1.25 4.57 -1.16 0.32 114.58 120.09 1n3g h GLU 28 Ca 0.04 -0.03 -0.25 0.00 -1.18 0.00 0.00 59.36 57.94 1n3g h GLU 28 Cb 0.24 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 1n3g h GLU 28 CO -0.00 0.35 -1.33 -0.22 -1.18 0.00 0.00 179.01 176.63 1n3g h LYS 29 N 0.54 0.01 -6.67 1.92 3.64 -1.53 -3.45 116.57 111.04 1n3g h LYS 29 Ca 0.53 -0.02 -0.50 0.00 -1.27 0.00 0.00 60.65 59.40 1n3g h LYS 29 Cb 1.13 0.01 0.23 0.00 -0.41 0.00 0.00 32.23 33.18 1n3g h LYS 29 CO -0.27 0.79 -0.94 0.91 -2.27 0.00 0.00 179.45 177.66 1n3g n TRP 30 N -3.22 -1.65 -0.82 1.91 7.02 0.10 -4.68 117.44 116.09 1n3g n TRP 30 Ca -0.08 0.19 -0.26 0.00 -1.02 0.00 0.00 57.50 56.34 1n3g n TRP 30 Cb 0.99 -1.66 -0.02 0.00 -2.42 0.00 0.00 31.31 28.20 1n3g n TRP 30 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1n3g n GLN 31 N -1.46 2.07 -3.73 -0.99 7.27 -1.26 -4.71 117.38 114.56 1n3g n GLN 31 Ca 0.03 -1.55 -0.00 0.00 0.07 0.00 0.00 57.00 55.55 1n3g n GLN 31 Cb 0.58 -2.53 -0.00 0.00 2.41 0.00 0.00 30.24 30.69 1n3g n GLN 31 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1n3g s THR 32 N 3.58 0.00 0.00 1.69 -1.32 -1.26 -4.89 115.64 113.44 1n3g s THR 32 Ca 0.43 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1n3g s THR 32 Cb 0.11 -2.21 0.00 0.00 -1.51 0.00 0.00 72.50 68.89 1n3g s THR 32 CO -0.02 0.00 0.00 1.41 -2.21 0.00 0.00 174.62 173.80 1n3g n HIS 33 N -0.56 0.00 -1.79 9.09 8.25 -1.26 -4.72 115.22 124.23 1n3g n HIS 33 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1n3g n HIS 33 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 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 -1.35 -5.60 -0.02 2.41 7.99 -1.26 -4.66 117.00 114.52 1n3g n LEU 34 Ca 0.00 2.82 -0.03 0.00 -0.01 0.00 0.00 56.01 58.79 1n3g n LEU 34 Cb 0.18 -2.78 -0.01 0.00 -0.11 0.00 0.00 43.42 40.70 1n3g n LEU 34 CO 0.00 -1.27 -0.25 -0.38 -1.51 0.00 0.00 177.39 173.98 1n3g n ILE 35 N 1.32 0.93 -3.56 -0.08 2.08 -1.01 -1.96 119.36 117.08 1n3g n ILE 35 Ca 0.00 0.27 -0.37 0.00 0.56 0.00 0.00 62.75 63.21 1n3g n ILE 35 Cb 0.00 -1.77 -0.05 0.00 -0.75 0.00 0.00 39.64 37.07 1n3g n ILE 35 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1n3g n ASN 36 N -3.53 4.45 -4.55 4.38 4.13 -1.26 0.10 115.26 118.98 1n3g n ASN 36 Ca -0.05 -3.15 -0.40 0.00 1.68 0.00 0.00 54.58 52.66 1n3g n ASN 36 Cb 0.19 -1.08 -0.03 0.00 -1.54 0.00 0.00 39.78 37.32 1n3g n ASN 36 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1n3g s PRO 37 N -1.51 3.21 -0.22 3.52 0.04 -1.26 -3.21 135.00 135.56 1n3g s PRO 37 Ca 0.29 -0.43 -0.15 0.00 0.04 0.00 0.00 61.00 60.74 1n3g s PRO 37 Cb -0.06 -4.65 -0.04 0.00 0.04 0.00 0.00 34.50 29.80 1n3g s PRO 37 CO -0.11 -2.32 0.38 -1.58 0.04 0.00 0.00 177.00 173.42 1n3g s HIS 38 N 6.19 3.33 -0.25 0.56 2.46 -0.63 -0.68 115.29 126.27 1n3g s HIS 38 Ca 0.45 0.54 0.01 0.00 0.47 0.00 0.00 55.06 56.53 1n3g s HIS 38 Cb -0.06 -2.53 0.06 0.00 -0.13 0.00 0.00 32.58 29.92 1n3g s HIS 38 CO 0.06 -0.08 -0.06 0.42 -2.47 0.00 0.00 174.74 172.62 1n3g s ILE 39 N 1.55 1.71 -0.40 0.89 1.09 0.15 0.14 121.20 126.33 1n3g s ILE 39 Ca 0.17 -1.40 -0.10 0.00 -1.10 0.00 0.00 60.65 58.23 1n3g s ILE 39 Cb -0.15 -1.96 0.06 0.00 -1.06 0.00 0.00 42.46 39.35 1n3g s ILE 39 CO 0.08 -0.14 0.24 -0.63 -0.10 0.00 0.00 174.94 174.40 1n3g s ILE 40 N 1.30 4.37 -0.45 2.92 1.01 -0.87 -1.62 121.20 127.86 1n3g s ILE 40 Ca -0.05 -1.20 -0.07 0.00 0.00 0.00 0.00 60.65 59.33 1n3g s ILE 40 Cb -0.19 -3.59 0.12 0.00 0.01 0.00 0.00 42.46 38.81 1n3g s ILE 40 CO -0.07 -0.41 0.30 -0.22 0.00 0.00 0.00 174.94 174.54 1n3g s LEU 41 N 1.48 5.54 0.16 2.97 2.96 -1.25 0.72 118.68 131.25 1n3g s LEU 41 Ca 0.02 -1.97 0.07 0.00 -0.22 0.00 0.00 54.13 52.03 1n3g s LEU 41 Cb -0.22 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1n3g s LEU 41 CO 0.04 -0.64 -0.02 -0.44 -1.32 0.00 0.00 176.35 173.97 1n3g s SER 42 N 2.34 4.72 -0.42 3.68 0.01 -0.92 -3.66 113.70 119.46 1n3g s SER 42 Ca 0.07 -0.39 -0.17 0.00 1.31 0.00 0.00 55.95 56.76 1n3g s SER 42 Cb -0.25 -0.99 0.02 0.00 0.21 0.00 0.00 66.02 65.01 1n3g s SER 42 CO -0.02 0.10 0.45 -0.75 0.41 0.00 0.00 173.24 173.44 1n3g s LYS 43 N -2.83 3.15 -0.07 12.44 2.36 -1.24 -0.80 119.74 132.74 1n3g s LYS 43 Ca 0.27 -0.69 -0.04 0.00 -2.55 0.00 0.00 55.97 52.96 1n3g s LYS 43 Cb -0.10 -3.95 -0.04 0.00 -1.05 0.00 0.00 37.83 32.69 1n3g s LYS 43 CO 0.18 -0.84 0.10 -2.00 1.55 0.00 0.00 175.35 174.34 1n3g s GLU 44 N 2.20 3.26 0.21 4.03 2.12 -0.19 -4.94 118.70 125.39 1n3g s GLU 44 Ca 0.13 -0.29 -0.07 0.00 0.36 0.00 0.00 54.97 55.10 1n3g s GLU 44 Cb -0.17 -3.02 0.34 0.00 0.26 0.00 0.00 34.13 31.54 1n3g s GLU 44 CO 0.14 0.72 1.22 -2.30 -0.54 0.00 0.00 175.26 174.50 1n3g n PRO 45 N 1.71 -0.08 -2.20 4.30 -0.01 -1.26 -0.79 135.00 136.68 1n3g n PRO 45 Ca -0.17 1.22 -0.39 0.00 -0.01 0.00 0.00 63.50 64.15 1n3g n PRO 45 Cb 0.54 -1.82 0.03 0.00 -0.01 0.00 0.00 33.50 32.24 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 -5.26 3.62 0.00 -0.52 -0.06 -1.26 -5.01 117.38 108.89 1n3g n GLN 46 Ca 0.12 -3.96 0.00 0.00 -2.00 0.00 0.00 57.00 51.16 1n3g n GLN 46 Cb 0.38 -2.33 0.00 0.00 -4.06 0.00 0.00 30.24 24.23 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 -0.38 1.36 3.76 1.69 0.00 0.03 -4.79 105.19 106.86 1n3g n GLY 47 Ca 0.50 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.49 3.79 -0.65 1.61 0.08 0.29 -1.02 117.98 120.58 1n3g s PHE 48 Ca 0.00 1.46 -0.05 0.00 0.12 0.00 0.00 56.93 58.46 1n3g s PHE 48 Cb 0.00 -2.74 0.17 0.00 -0.57 0.00 0.00 43.02 39.88 1n3g s PHE 48 CO 0.00 0.39 0.48 0.08 -0.10 0.00 0.00 175.22 176.08 1n3g s VAL 49 N -0.51 4.03 -0.65 -0.44 1.01 0.02 -2.45 120.40 121.42 1n3g s VAL 49 Ca 0.36 -2.81 -0.21 0.00 0.00 0.00 0.00 61.98 59.32 1n3g s VAL 49 Cb -0.21 -3.60 0.08 0.00 0.00 0.00 0.00 36.38 32.65 1n3g s VAL 49 CO 0.23 -0.89 0.88 0.00 0.00 0.00 0.00 175.10 175.32 1n3g s ALA 50 N 0.07 3.22 -0.92 5.51 0.00 -0.96 -2.17 121.76 126.52 1n3g s ALA 50 Ca 0.16 -2.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.06 1n3g s ALA 50 Cb -0.19 -3.76 0.23 0.00 0.00 0.00 0.00 23.12 19.41 1n3g s ALA 50 CO -0.04 -2.64 0.84 -0.51 0.00 0.00 0.00 175.76 173.40 1n3g s ASP 51 N 3.66 6.42 -0.24 0.00 1.11 0.22 -0.63 116.67 127.22 1n3g s ASP 51 Ca 0.19 -3.42 -0.13 0.00 0.18 0.00 0.00 52.55 49.37 1n3g s ASP 51 Cb -0.19 -2.04 -0.05 0.00 1.07 0.00 0.00 42.92 41.72 1n3g s ASP 51 CO 0.08 -0.30 0.26 0.00 1.18 0.00 0.00 175.17 176.39 1n3g s ALA 52 N -0.94 3.58 -0.43 5.23 0.00 0.92 -2.04 121.76 128.07 1n3g s ALA 52 Ca 0.26 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.35 1n3g s ALA 52 Cb -0.10 -2.48 0.11 0.00 0.00 0.00 0.00 23.12 20.65 1n3g s ALA 52 CO -0.09 -0.33 0.26 0.99 0.00 0.00 0.00 175.76 176.58 1n3g s THR 53 N 1.36 3.65 -0.02 0.00 2.01 0.38 0.17 115.64 123.18 1n3g s THR 53 Ca 0.11 -1.96 -0.08 0.00 0.31 0.00 0.00 61.69 60.08 1n3g s THR 53 Cb -0.14 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 1n3g s THR 53 CO 0.07 -0.73 0.26 -0.63 -0.69 0.00 0.00 174.62 172.91 1n3g s ILE 54 N 1.22 5.30 -0.54 1.82 1.01 -0.26 -1.60 121.20 128.16 1n3g s ILE 54 Ca 0.07 0.31 -0.17 0.00 0.00 0.00 0.00 60.65 60.86 1n3g s ILE 54 Cb -0.24 -3.55 0.11 0.00 0.01 0.00 0.00 42.46 38.79 1n3g s ILE 54 CO -0.03 0.47 0.54 0.21 0.00 0.00 0.00 174.94 176.13 1n3g s ASN 55 N -1.42 6.18 0.35 3.58 3.84 -1.20 0.69 114.94 126.97 1n3g s ASN 55 Ca 0.24 -1.57 -0.02 0.00 0.21 0.00 0.00 52.86 51.71 1n3g s ASN 55 Cb -0.14 -2.23 -0.04 0.00 -0.55 0.00 0.00 41.25 38.29 1n3g s ASN 55 CO 0.12 -0.89 0.59 0.42 -2.79 0.00 0.00 177.10 174.55 1n3g s THR 56 N 1.93 5.05 0.60 -5.21 -4.23 0.30 -2.39 115.64 111.69 1n3g s THR 56 Ca 0.06 -0.18 0.37 0.00 -1.18 0.00 0.00 61.69 60.76 1n3g s THR 56 Cb -0.27 -3.82 0.37 0.00 1.34 0.00 0.00 72.50 70.12 1n3g s THR 56 CO 0.05 -0.52 2.14 1.55 -0.54 0.00 0.00 174.62 177.30 1n3g h PRO 57 N 0.99 0.00 -0.27 3.99 0.13 -1.97 0.51 132.00 135.38 1n3g h PRO 57 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1n3g h PRO 57 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1n3g h PRO 57 CO 0.63 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.69 1n3g n ASN 58 N -2.93 3.68 0.00 1.44 5.15 -1.26 -5.07 115.26 116.26 1n3g n ASN 58 Ca -0.02 -2.83 0.00 0.00 -0.60 0.00 0.00 54.58 51.12 1n3g n ASN 58 Cb 0.19 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.95 1n3g n ASN 58 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n3g n GLY 59 N -0.34 1.74 3.57 8.20 0.00 0.17 -5.04 105.19 113.49 1n3g n GLY 59 Ca 0.19 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.40 4.98 0.00 1.61 1.01 -1.26 0.11 120.40 125.45 1n3g s VAL 60 Ca 0.00 0.46 -0.25 0.00 0.00 0.00 0.00 61.98 62.19 1n3g s VAL 60 Cb 0.00 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 1n3g s VAL 60 CO 0.00 -0.23 0.75 -0.22 0.00 0.00 0.00 175.10 175.40 1n3g s LEU 61 N 2.49 4.40 -0.42 3.92 2.96 0.22 -4.89 118.68 127.37 1n3g s LEU 61 Ca 0.21 1.37 -0.19 0.00 -0.22 0.00 0.00 54.13 55.30 1n3g s LEU 61 Cb -0.15 -3.20 0.02 0.00 0.50 0.00 0.00 46.19 43.36 1n3g s LEU 61 CO 0.14 -0.04 0.52 0.54 -1.32 0.00 0.00 176.35 176.18 1n3g s VAL 62 N 0.29 4.98 -0.50 1.68 0.11 -1.26 -1.10 120.40 124.60 1n3g s VAL 62 Ca 0.39 -0.08 -0.19 0.00 -2.93 0.00 0.00 61.98 59.16 1n3g s VAL 62 Cb -0.20 -4.09 0.06 0.00 -1.53 0.00 0.00 36.38 30.62 1n3g s VAL 62 CO 0.22 -0.46 0.64 0.00 -3.33 0.00 0.00 175.10 172.17 1n3g s ALA 63 N 2.42 3.37 -0.32 1.54 0.00 0.46 -4.73 121.76 124.50 1n3g s ALA 63 Ca 0.17 -1.69 -0.07 0.00 0.00 0.00 0.00 51.96 50.37 1n3g s ALA 63 Cb -0.16 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.63 1n3g s ALA 63 CO 0.16 -2.01 0.10 -1.12 0.00 0.00 0.00 175.76 172.88 1n3g s SER 64 N 2.65 5.24 -0.75 0.00 0.01 -1.25 -0.06 113.70 119.54 1n3g s SER 64 Ca 0.16 -0.98 0.01 0.00 1.31 0.00 0.00 55.95 56.45 1n3g s SER 64 Cb -0.19 -1.87 0.18 0.00 0.21 0.00 0.00 66.02 64.36 1n3g s SER 64 CO 0.13 -0.28 0.58 -0.83 0.41 0.00 0.00 173.24 173.25 1n3g s GLY 65 N 1.44 2.89 -0.27 3.44 0.00 0.20 -3.92 107.32 111.10 1n3g s GLY 65 Ca -0.00 -3.70 -0.17 0.00 0.00 0.00 0.00 44.72 40.85 1n3g s GLY 65 CO 0.03 1.12 0.46 0.54 0.00 0.00 0.00 173.10 175.25 1n3g s LYS 66 N -1.10 4.02 -0.23 2.90 3.01 -1.26 -2.25 119.74 124.84 1n3g s LYS 66 Ca 0.24 0.19 -0.30 0.00 -1.01 0.00 0.00 55.97 55.09 1n3g s LYS 66 Cb -0.10 -3.66 0.16 0.00 -1.01 0.00 0.00 37.83 33.22 1n3g s LYS 66 CO -0.11 -0.34 1.20 -1.58 0.51 0.00 0.00 175.35 175.03 1n3g s HIS 67 N 2.23 -0.18 0.17 3.18 2.46 -1.03 -4.81 115.29 117.31 1n3g s HIS 67 Ca 0.19 0.28 -0.12 0.00 0.47 0.00 0.00 55.06 55.88 1n3g s HIS 67 Cb -0.16 0.48 0.06 0.00 -0.13 0.00 0.00 32.58 32.83 1n3g s HIS 67 CO 0.10 -0.17 1.69 1.05 -2.47 0.00 0.00 174.74 174.93 1n3g h GLU 68 N 2.24 0.90 -6.58 2.88 9.09 -1.88 0.83 114.58 122.07 1n3g h GLU 68 Ca -0.12 -0.20 -0.52 0.00 0.05 0.00 0.00 59.36 58.57 1n3g h GLU 68 Cb 1.18 -0.12 -0.03 0.00 -1.65 0.00 0.00 28.75 28.13 1n3g h GLU 68 CO 0.26 0.82 -0.02 -0.51 0.05 0.00 0.00 179.01 179.60 1n3g s ASP 69 N -6.20 6.66 -0.01 3.06 1.01 -1.26 -4.44 116.67 115.51 1n3g s ASP 69 Ca -0.13 1.06 -0.25 0.00 0.71 0.00 0.00 52.55 53.94 1n3g s ASP 69 Cb 0.13 -2.28 -0.18 0.00 1.01 0.00 0.00 42.92 41.59 1n3g s ASP 69 CO 0.81 -0.15 1.26 0.00 0.21 0.00 0.00 175.17 177.29 1n3g h MET 70 N 2.30 -0.15 -0.18 8.23 -0.00 -2.00 -2.10 114.93 121.04 1n3g h MET 70 Ca -0.47 0.01 -0.03 0.00 -0.00 0.00 0.00 59.70 59.21 1n3g h MET 70 Cb 1.17 0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.80 1n3g h MET 70 CO 0.67 0.24 -0.01 1.88 -0.00 0.00 0.00 176.91 179.69 1n3g h TYR 71 N -0.57 0.26 -0.14 -0.10 0.05 -1.97 -1.13 116.97 113.37 1n3g h TYR 71 Ca -0.02 -0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.64 1n3g h TYR 71 Cb 0.45 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1n3g h TYR 71 CO 0.06 0.28 -0.39 1.79 -1.05 0.00 0.00 178.16 178.84 1n3g h THR 72 N 0.26 1.30 -0.09 -2.88 1.35 -1.94 -1.95 112.91 108.96 1n3g h THR 72 Ca 0.06 -1.49 -0.11 0.00 -0.55 0.00 0.00 66.41 64.32 1n3g h THR 72 Cb 0.19 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 1n3g h THR 72 CO 0.00 0.45 -0.42 0.00 -0.25 0.00 0.00 175.52 175.30 1n3g h ALA 73 N 1.34 1.12 -0.16 6.62 0.00 -0.50 -1.72 119.26 125.96 1n3g h ALA 73 Ca 0.03 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.33 1n3g h ALA 73 Cb 0.81 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1n3g h ALA 73 CO 0.06 0.59 -0.66 0.82 0.00 0.00 0.00 179.25 180.06 1n3g h ILE 74 N 0.17 1.30 0.35 0.00 1.08 -1.01 -2.54 117.51 116.86 1n3g h ILE 74 Ca 0.01 -1.88 -0.02 0.00 -0.39 0.00 0.00 64.86 62.58 1n3g h ILE 74 Cb 0.82 1.98 0.00 0.00 -3.07 0.00 0.00 36.82 36.56 1n3g h ILE 74 CO 0.06 0.59 -0.17 0.78 -0.69 0.00 0.00 178.15 178.73 1n3g h ASN 75 N 0.44 -0.40 -0.91 1.72 -0.26 -1.23 -2.33 115.58 112.61 1n3g h ASN 75 Ca -0.04 -0.11 0.11 0.00 -0.56 0.00 0.00 56.30 55.70 1n3g h ASN 75 Cb 1.29 0.10 -0.08 0.00 -1.06 0.00 0.00 38.32 38.57 1n3g h ASN 75 CO 0.14 -0.11 0.54 -0.08 -1.06 0.00 0.00 177.43 176.86 1n3g h GLU 76 N -0.70 0.84 0.65 0.81 4.57 -1.41 -1.74 114.58 117.60 1n3g h GLU 76 Ca -0.05 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 1n3g h GLU 76 Cb 0.49 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1n3g h GLU 76 CO 0.08 0.55 -0.42 1.25 -1.18 0.00 0.00 179.01 179.30 1n3g h LEU 77 N 0.86 -1.07 -1.63 1.64 6.46 -1.36 -2.36 115.31 117.87 1n3g h LEU 77 Ca 0.45 0.06 0.22 0.00 -0.12 0.00 0.00 57.88 58.50 1n3g h LEU 77 Cb 0.46 0.32 -0.06 0.00 -0.73 0.00 0.00 40.66 40.64 1n3g h LEU 77 CO -0.27 -0.63 0.61 -0.29 -0.62 0.00 0.00 178.44 177.24 1n3g h ILE 78 N -1.00 0.63 0.10 4.05 -0.00 -1.13 -0.69 117.51 119.47 1n3g h ILE 78 Ca -0.09 -0.10 -0.00 0.00 -0.00 0.00 0.00 64.86 64.67 1n3g h ILE 78 Cb 0.81 0.31 0.00 0.00 -0.00 0.00 0.00 36.82 37.94 1n3g h ILE 78 CO 0.07 0.05 -0.05 0.78 -0.00 0.00 0.00 178.15 179.01 1n3g h ASN 79 N 0.30 -0.11 0.26 2.19 2.35 -0.90 0.86 115.58 120.53 1n3g h ASN 79 Ca 0.47 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 1n3g h ASN 79 Cb 1.33 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 39.69 1n3g h ASN 79 CO -0.14 -0.05 -0.49 0.11 -1.65 0.00 0.00 177.43 175.20 1n3g h LYS 80 N -0.16 -0.78 -0.48 0.81 6.56 -0.62 -2.62 116.57 119.29 1n3g h LYS 80 Ca -0.01 0.05 0.06 0.00 -1.06 0.00 0.00 60.65 59.69 1n3g h LYS 80 Cb 0.12 0.18 -0.05 0.00 -0.57 0.00 0.00 32.23 31.91 1n3g h LYS 80 CO 0.02 -0.52 0.17 -0.07 -2.06 0.00 0.00 179.45 176.99 1n3g h LEU 81 N -0.81 0.17 -0.11 2.94 4.07 -1.46 -2.50 115.31 117.61 1n3g h LEU 81 Ca -0.03 0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.00 1n3g h LEU 81 Cb 0.76 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 1n3g h LEU 81 CO -0.19 0.13 -0.08 -0.08 -1.08 0.00 0.00 178.44 177.14 1n3g h GLU 82 N 0.34 -0.02 0.38 1.13 4.81 -0.46 1.34 114.58 122.11 1n3g h GLU 82 Ca 0.23 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1n3g h GLU 82 Cb 0.23 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1n3g h GLU 82 CO -0.23 -0.01 -0.44 0.00 -0.73 0.00 0.00 179.01 177.60 1n3g h ARG 83 N -0.02 -0.82 -0.46 1.92 2.47 -1.46 -0.68 114.38 115.34 1n3g h ARG 83 Ca 0.02 0.06 0.13 0.00 -1.26 0.00 0.00 59.98 58.93 1n3g h ARG 83 Cb 0.07 0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 1n3g h ARG 83 CO -0.11 -0.54 0.48 0.37 0.56 0.00 0.00 179.97 180.72 1n3g h GLN 84 N -0.85 0.00 0.00 0.04 -0.00 -1.08 -2.74 115.11 110.48 1n3g h GLN 84 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1n3g h GLN 84 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.25 1n3g h GLN 84 CO -0.10 0.00 0.00 1.28 0.00 0.00 0.00 178.83 180.01 1n3g n LEU 85 N -3.74 0.20 -0.31 -2.39 4.77 0.46 -2.01 117.00 113.98 1n3g n LEU 85 Ca 0.08 0.67 0.31 0.00 -0.03 0.00 0.00 56.01 57.04 1n3g n LEU 85 Cb 0.67 -0.44 0.56 0.00 -2.33 0.00 0.00 43.42 41.88 1n3g n LEU 85 CO 0.28 -0.44 1.01 -0.46 -1.33 0.00 0.00 177.39 176.45 1n3g n ASN 86 N -1.81 0.31 0.00 -1.43 0.23 -0.81 0.12 115.26 111.87 1n3g n ASN 86 Ca 0.00 1.52 0.00 0.00 -0.53 0.00 0.00 54.58 55.57 1n3g n ASN 86 Cb 0.00 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 36.96 1n3g n ASN 86 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1n3g n LYS 87 N -5.06 0.00 -0.33 -3.83 3.00 -1.06 -0.09 118.16 110.80 1n3g n LYS 87 Ca 0.36 0.00 0.36 0.00 -0.00 0.00 0.00 58.31 59.02 1n3g n LYS 87 Cb 1.23 -0.76 0.75 0.00 0.00 0.00 0.00 35.03 36.26 1n3g n LYS 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1n3g h LEU 88 N 0.00 0.00 0.00 3.14 6.46 -0.99 0.88 115.31 124.80 1n3g h LEU 88 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1n3g h LEU 88 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1n3g h LEU 88 CO 0.00 0.00 -0.59 1.67 -0.62 0.00 0.00 178.44 178.90 1n3g n GLN 89 N -4.13 0.12 -0.91 1.25 -0.06 0.32 -4.72 117.38 109.25 1n3g n GLN 89 Ca 0.26 0.02 -0.34 0.00 -2.00 0.00 0.00 57.00 54.94 1n3g n GLN 89 Cb 1.27 -1.56 -0.12 0.00 -4.06 0.00 0.00 30.24 25.77 1n3g n GLN 89 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 1n3g n HIS 90 N -1.73 0.39 0.00 3.69 -0.00 0.30 -4.29 115.22 113.58 1n3g n HIS 90 Ca 0.04 -0.42 0.00 0.00 0.46 0.00 0.00 57.72 57.80 1n3g n HIS 90 Cb 0.38 -1.45 0.00 0.00 -0.12 0.00 0.00 29.99 28.80 1n3g n HIS 90 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1n3g n LYS 91 N 8.03 0.00 -3.71 1.57 0.00 -1.26 -5.03 118.16 117.76 1n3g n LYS 91 Ca 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.62 1n3g n LYS 91 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.38 1n3g n LYS 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1n3g s GLY 92 N 0.00 -0.31 -0.48 3.14 0.00 -1.26 -5.07 107.32 103.34 1n3g s GLY 92 Ca 0.00 0.96 0.08 0.00 0.00 0.00 0.00 44.72 45.76 1n3g s GLY 92 CO 0.00 0.75 0.94 1.18 0.00 0.00 0.00 173.10 175.98 1n3g n GLU 93 N 2.09 2.61 -3.61 2.90 -0.58 -1.26 -5.06 120.64 117.73 1n3g n GLU 93 Ca -0.17 -4.32 -0.00 0.00 -0.42 0.00 0.00 57.16 52.26 1n3g n GLU 93 Cb 0.57 -2.03 -0.01 0.00 -0.57 0.00 0.00 31.44 29.40 1n3g n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n3g s ALA 94 N -3.24 -2.19 -0.35 0.62 0.00 -1.26 -5.11 121.76 110.23 1n3g s ALA 94 Ca 0.45 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.34 1n3g s ALA 94 Cb 0.34 0.24 0.29 0.00 0.00 0.00 0.00 23.12 23.99 1n3g s ALA 94 CO -0.12 -0.94 1.26 0.54 0.00 0.00 0.00 175.76 176.50 1n3g n ARG 95 N -0.39 0.23 -1.50 0.00 1.74 -1.26 -5.12 116.66 110.36 1n3g n ARG 95 Ca -0.06 -0.84 -0.12 0.00 -0.77 0.00 0.00 57.85 56.06 1n3g n ARG 95 Cb 0.62 -0.34 0.06 0.00 -1.02 0.00 0.00 32.46 31.78 1n3g n ARG 95 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1n3g n ARG 96 N 1.15 0.17 0.00 5.56 1.74 -1.26 -4.62 116.66 119.41 1n3g n ARG 96 Ca -0.00 -1.29 0.00 0.00 -0.77 0.00 0.00 57.85 55.79 1n3g n ARG 96 Cb 0.72 -0.36 0.00 0.00 -1.02 0.00 0.00 32.46 31.80 1n3g n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n3g n ALA 97 N -3.00 0.00 -3.22 7.54 0.00 -1.26 -4.65 120.51 115.92 1n3g n ALA 97 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 1n3g n ALA 97 Cb 0.29 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.81 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 0.04 -1.49 -1.21 0.00 0.00 -1.26 -4.98 120.51 111.60 1n3g n ALA 98 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.18 1n3g n ALA 98 Cb 0.00 -2.73 0.10 0.00 0.00 0.00 0.00 19.45 16.82 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 -3.28 3.12 0.71 0.00 2.01 -1.26 -4.98 115.64 111.96 1n3g s THR 99 Ca 0.13 0.38 -0.16 0.00 0.31 0.00 0.00 61.69 62.35 1n3g s THR 99 Cb -0.06 -2.81 0.03 0.00 0.01 0.00 0.00 72.50 69.67 1n3g s THR 99 CO 0.59 -0.46 1.27 -1.54 -0.69 0.00 0.00 174.62 173.79 1n3g n SER 100 N -3.49 1.71 0.00 3.53 3.41 -1.26 -4.70 113.62 112.82 1n3g n SER 100 Ca 0.10 0.74 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 1n3g n SER 100 Cb 0.53 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 1n3g n SER 100 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1n3g n VAL 101 N -2.44 0.00 -0.08 -3.33 0.24 -1.26 -4.65 118.33 106.81 1n3g n VAL 101 Ca 0.15 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.37 1n3g n VAL 101 Cb 0.49 -0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 32.19 1n3g n VAL 101 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1n3g n LYS 102 N -0.71 0.48 -4.23 7.34 2.85 -1.26 -3.95 118.16 118.68 1n3g n LYS 102 Ca 0.00 0.49 -0.31 0.00 -1.05 0.00 0.00 58.31 57.43 1n3g n LYS 102 Cb 0.00 -1.66 -0.07 0.00 -0.65 0.00 0.00 35.03 32.64 1n3g n LYS 102 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1n3g n ASP 103 N -4.56 0.24 0.00 -5.58 5.75 -1.26 -4.90 116.55 106.24 1n3g n ASP 103 Ca -0.12 -1.23 0.00 0.00 -0.01 0.00 0.00 54.79 53.42 1n3g n ASP 103 Cb 0.37 -1.87 0.00 0.00 -1.03 0.00 0.00 41.12 38.59 1n3g n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n3g n ALA 104 N -4.59 -0.03 -0.91 2.12 0.00 -1.26 -4.03 120.51 111.80 1n3g n ALA 104 Ca -0.31 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 52.97 1n3g n ALA 104 Cb 0.68 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.33 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 -0.63 3.91 -1.36 0.00 5.03 -1.26 -4.37 115.26 116.58 1n3g n ASN 105 Ca 0.00 -3.32 0.05 0.00 0.87 0.00 0.00 54.58 52.19 1n3g n ASN 105 Cb 0.00 -0.78 0.27 0.00 -1.02 0.00 0.00 39.78 38.25 1n3g n ASN 105 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1n3g n PHE 106 N -0.70 1.29 -3.46 3.10 3.01 -1.26 -4.92 117.46 114.52 1n3g n PHE 106 Ca 0.48 -0.47 -0.18 0.00 1.01 0.00 0.00 57.45 58.29 1n3g n PHE 106 Cb 1.46 -0.31 0.02 0.00 -0.01 0.00 0.00 39.48 40.64 1n3g n PHE 106 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1n3g n VAL 107 N 0.53 0.00 -3.52 -4.37 0.24 -1.26 -5.08 118.33 104.87 1n3g n VAL 107 Ca 0.19 -1.61 0.00 0.00 -2.04 0.00 0.00 64.34 60.87 1n3g n VAL 107 Cb 0.81 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 1n3g n VAL 107 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1n3g n GLU 108 N -1.71 2.87 0.00 7.34 0.28 -1.26 -5.15 120.64 123.00 1n3g n GLU 108 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1n3g n GLU 108 Cb 0.48 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.35 1n3g n GLU 108 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1n3g n GLU 109 N -0.02 -0.37 -1.62 3.44 -0.58 -1.26 -4.85 120.64 115.38 1n3g n GLU 109 Ca 0.00 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.28 1n3g n GLU 109 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 1n3g n GLU 109 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1n3g n VAL 110 N -1.88 0.52 0.33 2.62 3.14 -1.26 -4.83 118.33 116.97 1n3g n VAL 110 Ca 0.00 -0.23 0.14 0.00 -2.96 0.00 0.00 64.34 61.29 1n3g n VAL 110 Cb 0.00 -2.15 0.46 0.00 -1.06 0.00 0.00 33.84 31.09 1n3g n VAL 110 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1n3g h GLU 111 N 11.60 0.00 -6.22 1.45 4.81 -2.06 -3.48 114.58 120.69 1n3g h GLU 111 Ca -0.44 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.49 1n3g h GLU 111 Cb 1.26 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.65 1n3g h GLU 111 CO 0.96 0.00 -0.90 0.39 -0.73 0.00 0.00 179.01 178.73 1n3g n GLU 112 N -2.82 -1.84 0.00 1.92 1.02 -1.26 -5.26 120.64 112.39 1n3g n GLU 112 Ca 0.03 1.39 0.04 0.00 -0.02 0.00 0.00 57.16 58.60 1n3g n GLU 112 Cb 0.38 -3.27 0.22 0.00 -0.02 0.00 0.00 31.44 28.76 1n3g n GLU 112 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40