#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 -3.45 1.12 5.66 -1.00 -4.97 114.28 111.64 1n3g n THR 2 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 1n3g n THR 2 Cb 0.00 -0.23 -0.11 0.00 -1.55 0.00 0.00 70.33 68.44 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 0.34 -0.27 1.09 0.00 -1.26 -4.59 119.30 114.61 1n3g s MET 3 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 55.69 55.12 1n3g s MET 3 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 34.83 33.89 1n3g s MET 3 CO 0.00 -1.07 0.13 -0.80 0.00 0.00 0.00 175.02 173.29 1n3g s ASN 4 N 2.03 5.57 -0.17 1.11 -0.87 -0.20 -5.01 114.94 117.40 1n3g s ASN 4 Ca 0.11 -0.15 -0.02 0.00 -1.57 0.00 0.00 52.86 51.22 1n3g s ASN 4 Cb -0.16 -2.02 0.05 0.00 -0.02 0.00 0.00 41.25 39.11 1n3g s ASN 4 CO -0.27 -0.06 0.03 -0.63 -2.57 0.00 0.00 177.10 173.59 1n3g s ILE 5 N 1.68 0.50 -0.34 0.60 1.01 -1.26 0.99 121.20 124.39 1n3g s ILE 5 Ca 0.06 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1n3g s ILE 5 Cb -0.16 -0.93 0.10 0.00 0.01 0.00 0.00 42.46 41.49 1n3g s ILE 5 CO 0.07 -0.10 0.11 0.28 0.00 0.00 0.00 174.94 175.30 1n3g s THR 6 N 1.88 1.34 0.29 2.92 -1.32 -0.12 -4.93 115.64 115.71 1n3g s THR 6 Ca 0.00 -1.82 -0.16 0.00 -1.21 0.00 0.00 61.69 58.50 1n3g s THR 6 Cb -0.16 -1.99 -0.09 0.00 -1.51 0.00 0.00 72.50 68.75 1n3g s THR 6 CO -0.07 -0.69 0.72 -0.44 -2.21 0.00 0.00 174.62 171.93 1n3g s SER 7 N 1.24 6.84 0.00 8.08 0.01 -1.26 -3.99 113.70 124.61 1n3g s SER 7 Ca 0.11 1.30 0.00 0.00 1.31 0.00 0.00 55.95 58.67 1n3g s SER 7 Cb -0.19 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1n3g s SER 7 CO -0.17 -0.14 0.33 1.17 0.41 0.00 0.00 173.24 174.83 1n3g n LYS 8 N -0.09 0.00 -2.53 12.44 4.81 -1.25 -4.64 118.16 126.90 1n3g n LYS 8 Ca 0.02 0.17 -0.17 0.00 -0.87 0.00 0.00 58.31 57.46 1n3g n LYS 8 Cb 0.53 -0.91 0.02 0.00 0.02 0.00 0.00 35.03 34.68 1n3g n LYS 8 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n3g n GLN 9 N -1.00 2.42 -3.15 1.64 -0.00 -1.26 -4.98 117.38 111.04 1n3g n GLN 9 Ca 0.00 -3.88 0.05 0.00 -0.00 0.00 0.00 57.00 53.17 1n3g n GLN 9 Cb 0.00 -1.81 -0.01 0.00 -0.00 0.00 0.00 30.24 28.42 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 -3.44 0.32 1.26 2.61 0.00 -1.26 -4.66 119.30 114.13 1n3g s MET 10 Ca 0.38 0.47 -0.19 0.00 0.00 0.00 0.00 55.69 56.35 1n3g s MET 10 Cb 0.41 0.25 0.29 0.00 0.00 0.00 0.00 34.83 35.77 1n3g s MET 10 CO -0.06 -0.45 0.65 -0.85 0.00 0.00 0.00 175.02 174.31 1n3g n GLU 11 N 5.37 -3.59 -3.24 4.11 -0.00 -1.26 -4.69 120.64 117.34 1n3g n GLU 11 Ca 0.00 -1.06 -0.39 0.00 -0.00 0.00 0.00 57.16 55.71 1n3g n GLU 11 Cb 0.54 -1.76 -0.06 0.00 -0.00 0.00 0.00 31.44 30.16 1n3g n GLU 11 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1n3g s ILE 12 N -2.12 5.12 0.53 3.84 -1.09 -1.26 -5.02 121.20 121.18 1n3g s ILE 12 Ca 0.55 1.01 -0.16 0.00 -2.23 0.00 0.00 60.65 59.81 1n3g s ILE 12 Cb -0.11 -3.86 -0.07 0.00 -1.58 0.00 0.00 42.46 36.84 1n3g s ILE 12 CO 0.48 0.21 0.99 0.42 -1.23 0.00 0.00 174.94 175.82 1n3g s THR 13 N 1.34 4.44 0.34 2.92 -4.23 -1.26 -4.81 115.64 114.39 1n3g s THR 13 Ca 0.26 1.17 0.09 0.00 -1.18 0.00 0.00 61.69 62.03 1n3g s THR 13 Cb -0.15 -3.68 0.33 0.00 1.34 0.00 0.00 72.50 70.33 1n3g s THR 13 CO 0.10 -0.67 1.83 1.55 -0.54 0.00 0.00 174.62 176.89 1n3g h PRO 14 N 0.85 0.66 0.32 3.99 0.13 -1.98 0.12 132.00 136.08 1n3g h PRO 14 Ca -0.47 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1n3g h PRO 14 Cb 1.19 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1n3g h PRO 14 CO 0.61 0.44 -0.15 0.00 -0.23 0.00 0.00 178.00 178.66 1n3g h ALA 15 N 1.61 -0.42 0.38 -0.56 0.00 -1.98 -2.11 119.26 116.17 1n3g h ALA 15 Ca 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1n3g h ALA 15 Cb 0.88 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1n3g h ALA 15 CO -0.27 -0.56 -0.24 0.82 0.00 0.00 0.00 179.25 179.01 1n3g h ILE 16 N -0.79 0.50 -0.95 0.00 2.04 -1.79 0.61 117.51 117.13 1n3g h ILE 16 Ca -0.04 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.00 1n3g h ILE 16 Cb 0.51 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 1n3g h ILE 16 CO 0.07 0.00 0.61 -0.09 0.00 0.00 0.00 178.15 178.74 1n3g h ARG 17 N -0.60 0.63 0.08 2.37 1.12 -0.87 0.17 114.38 117.27 1n3g h ARG 17 Ca -0.04 -0.04 -0.17 0.00 -1.11 0.00 0.00 59.98 58.62 1n3g h ARG 17 Cb 0.49 -0.14 0.02 0.00 -0.01 0.00 0.00 29.97 30.33 1n3g h ARG 17 CO 0.04 0.42 -0.72 0.37 -3.11 0.00 0.00 179.97 176.97 1n3g h GLN 18 N 0.65 0.35 -0.34 0.20 5.75 -0.92 -2.24 115.11 118.56 1n3g h GLN 18 Ca 0.51 -0.48 0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1n3g h GLN 18 Cb 0.93 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.62 1n3g h GLN 18 CO -0.27 1.18 0.19 1.25 -2.65 0.00 0.00 178.83 178.53 1n3g h HIS 19 N -0.25 0.36 0.01 3.99 2.76 0.11 -1.30 115.15 120.83 1n3g h HIS 19 Ca -0.11 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1n3g h HIS 19 Cb 1.50 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.34 1n3g h HIS 19 CO 0.17 0.21 -0.00 0.28 -1.30 0.00 0.00 177.93 177.29 1n3g h VAL 20 N 0.40 1.33 -0.75 5.26 2.07 -0.82 -2.76 116.25 120.97 1n3g h VAL 20 Ca 0.14 -1.01 0.16 0.00 0.82 0.00 0.00 66.70 66.81 1n3g h VAL 20 Cb 0.01 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1n3g h VAL 20 CO -0.07 0.26 0.51 0.00 0.02 0.00 0.00 177.57 178.29 1n3g h ALA 21 N 0.55 2.22 0.29 1.67 0.00 -1.31 0.89 119.26 123.57 1n3g h ALA 21 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1n3g h ALA 21 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1n3g h ALA 21 CO 0.00 -0.43 -0.14 0.22 0.00 0.00 0.00 179.25 178.90 1n3g h ASP 22 N 0.33 -0.33 -0.65 0.00 1.82 -1.16 -1.99 116.42 114.44 1n3g h ASP 22 Ca 0.37 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.99 1n3g h ASP 22 Cb 0.96 0.09 -0.03 0.00 0.68 0.00 0.00 39.33 41.03 1n3g h ASP 22 CO -0.10 -0.10 0.30 0.03 -1.61 0.00 0.00 179.24 177.77 1n3g h ARG 23 N -0.68 0.94 -0.64 0.28 2.47 -1.27 -2.39 114.38 113.08 1n3g h ARG 23 Ca -0.04 -0.14 0.04 0.00 -1.26 0.00 0.00 59.98 58.57 1n3g h ARG 23 Cb 0.30 -0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 28.42 1n3g h ARG 23 CO 0.07 0.76 0.43 1.25 0.56 0.00 0.00 179.97 183.03 1n3g h LEU 24 N 0.90 0.64 0.22 3.04 5.85 0.68 0.53 115.31 127.17 1n3g h LEU 24 Ca 0.22 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1n3g h LEU 24 Cb 0.13 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1n3g h LEU 24 CO -0.03 0.44 -0.11 0.00 -0.34 0.00 0.00 178.44 178.41 1n3g h ALA 25 N 1.63 -0.29 0.00 1.25 0.00 -0.85 -2.96 119.26 118.04 1n3g h ALA 25 Ca 0.26 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1n3g h ALA 25 Cb 0.11 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1n3g h ALA 25 CO -0.07 -0.54 -0.25 1.57 0.00 0.00 0.00 179.25 179.95 1n3g h LYS 26 N -0.54 0.00 0.00 0.00 5.09 -1.18 -2.34 116.57 117.60 1n3g h LYS 26 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.69 1n3g h LYS 26 Cb 0.40 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.73 1n3g h LYS 26 CO 0.05 0.25 -0.09 1.25 -2.09 0.00 0.00 179.45 178.82 1n3g h LEU 27 N 0.00 0.00 -1.93 7.07 6.46 -0.74 -2.18 115.31 123.98 1n3g h LEU 27 Ca -0.00 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 1n3g h LEU 27 Cb 0.47 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1n3g h LEU 27 CO 0.03 0.09 0.42 -0.08 -0.62 0.00 0.00 178.44 178.28 1n3g h GLU 28 N 0.00 0.00 -1.15 1.25 4.22 -1.28 -0.10 114.58 117.53 1n3g h GLU 28 Ca -0.00 0.00 -0.54 0.00 0.08 0.00 0.00 59.36 58.90 1n3g h GLU 28 Cb 0.16 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.17 1n3g h GLU 28 CO 0.01 0.00 0.69 1.17 -2.18 0.00 0.00 179.01 178.70 1n3g n LYS 29 N -3.35 2.32 -1.04 1.92 0.00 -0.82 -4.50 118.16 112.70 1n3g n LYS 29 Ca 0.04 -2.66 -0.19 0.00 0.00 0.00 0.00 58.31 55.49 1n3g n LYS 29 Cb 0.54 -2.04 0.17 0.00 0.00 0.00 0.00 35.03 33.69 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 -0.56 2.60 -0.90 5.64 7.02 -0.05 -4.88 117.44 126.32 1n3g n TRP 30 Ca 0.51 -1.60 -0.05 0.00 -1.02 0.00 0.00 57.50 55.35 1n3g n TRP 30 Cb 0.78 -0.83 -0.02 0.00 -2.42 0.00 0.00 31.31 28.82 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 -0.83 -1.51 0.00 -0.99 1.13 -1.26 -4.82 117.38 109.11 1n3g n GLN 31 Ca 0.50 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.92 1n3g n GLN 31 Cb 1.49 -4.16 0.00 0.00 0.11 0.00 0.00 30.24 27.68 1n3g n GLN 31 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1n3g n THR 32 N -1.23 0.00 0.00 5.09 -1.04 -1.26 -5.06 114.28 110.78 1n3g n THR 32 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1n3g n THR 32 Cb 0.24 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 1n3g n THR 32 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1n3g n HIS 33 N 0.00 0.00 0.00 -1.42 8.25 -1.26 -4.86 115.22 115.93 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 0.00 0.00 -0.05 2.41 4.77 -1.26 -4.61 117.00 118.26 1n3g n LEU 34 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1n3g n LEU 34 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1n3g n LEU 34 CO 0.00 0.00 -0.84 -0.38 -1.33 0.00 0.00 177.39 174.84 1n3g n ILE 35 N 0.00 0.56 -3.67 -0.08 5.41 -1.04 0.15 119.36 120.70 1n3g n ILE 35 Ca 0.00 -0.18 -0.38 0.00 1.00 0.00 0.00 62.75 63.19 1n3g n ILE 35 Cb 0.00 -1.21 -0.09 0.00 -0.71 0.00 0.00 39.64 37.64 1n3g n ILE 35 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1n3g s ASN 36 N -5.39 5.44 -0.80 4.38 2.47 -1.26 -2.37 114.94 117.42 1n3g s ASN 36 Ca -0.14 -2.91 -0.22 0.00 0.42 0.00 0.00 52.86 50.01 1n3g s ASN 36 Cb 0.04 -1.90 0.08 0.00 -1.45 0.00 0.00 41.25 38.02 1n3g s ASN 36 CO 0.20 -0.37 1.13 -2.16 -3.72 0.00 0.00 177.10 172.18 1n3g s PRO 37 N -0.15 3.32 0.28 0.43 0.04 -1.26 -2.41 135.00 135.24 1n3g s PRO 37 Ca 0.18 -1.01 -0.28 0.00 0.04 0.00 0.00 61.00 59.92 1n3g s PRO 37 Cb -0.18 -4.57 -0.09 0.00 0.04 0.00 0.00 34.50 29.69 1n3g s PRO 37 CO -0.04 -1.92 0.97 -1.01 0.04 0.00 0.00 177.00 175.03 1n3g s HIS 38 N 4.14 3.80 -0.29 0.56 3.76 0.95 -1.03 115.29 127.18 1n3g s HIS 38 Ca 0.31 1.83 -0.03 0.00 -0.15 0.00 0.00 55.06 57.02 1n3g s HIS 38 Cb -0.10 -3.02 0.11 0.00 1.11 0.00 0.00 32.58 30.68 1n3g s HIS 38 CO 0.03 0.17 0.17 0.42 -0.85 0.00 0.00 174.74 174.68 1n3g s ILE 39 N -1.32 -0.14 -0.41 0.60 -1.09 0.28 -0.53 121.20 118.58 1n3g s ILE 39 Ca 0.45 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 58.01 1n3g s ILE 39 Cb -0.25 -0.98 0.02 0.00 -1.58 0.00 0.00 42.46 39.67 1n3g s ILE 39 CO 0.31 -0.67 0.36 -0.63 -1.23 0.00 0.00 174.94 173.08 1n3g s ILE 40 N 2.15 5.19 -0.45 2.92 1.01 -0.29 -0.94 121.20 130.79 1n3g s ILE 40 Ca 0.09 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 1n3g s ILE 40 Cb -0.16 -3.97 0.12 0.00 0.01 0.00 0.00 42.46 38.46 1n3g s ILE 40 CO -0.36 -0.35 0.28 -0.22 0.00 0.00 0.00 174.94 174.29 1n3g s LEU 41 N 1.88 5.50 -0.09 2.97 2.96 -1.26 0.94 118.68 131.57 1n3g s LEU 41 Ca 0.08 -1.99 0.01 0.00 -0.22 0.00 0.00 54.13 52.01 1n3g s LEU 41 Cb -0.18 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1n3g s LEU 41 CO 0.12 -0.62 -0.11 -0.44 -1.32 0.00 0.00 176.35 173.98 1n3g s SER 42 N 2.25 4.25 -0.43 3.68 0.01 -1.07 -3.92 113.70 118.47 1n3g s SER 42 Ca 0.07 -0.19 -0.29 0.00 1.31 0.00 0.00 55.95 56.85 1n3g s SER 42 Cb -0.24 -1.29 0.02 0.00 0.21 0.00 0.00 66.02 64.71 1n3g s SER 42 CO -0.02 0.27 1.26 -0.75 0.41 0.00 0.00 173.24 174.40 1n3g s LYS 43 N -0.25 3.70 -0.10 12.44 2.20 -1.26 0.30 119.74 136.76 1n3g s LYS 43 Ca 0.02 0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 56.38 1n3g s LYS 43 Cb -0.13 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.21 1n3g s LYS 43 CO 0.03 -1.41 0.06 -2.00 -0.36 0.00 0.00 175.35 171.66 1n3g s GLU 44 N 4.59 3.22 0.23 4.03 2.56 0.92 -4.93 118.70 129.31 1n3g s GLU 44 Ca 0.54 -0.30 -0.05 0.00 0.00 0.00 0.00 54.97 55.16 1n3g s GLU 44 Cb -0.11 -2.97 0.42 0.00 2.00 0.00 0.00 34.13 33.48 1n3g s GLU 44 CO 0.31 0.71 1.26 -2.30 -0.56 0.00 0.00 175.26 174.68 1n3g n PRO 45 N 2.16 -0.07 -1.37 4.30 -0.02 -1.26 0.37 135.00 139.11 1n3g n PRO 45 Ca -0.19 1.25 -0.34 0.00 -2.02 0.00 0.00 63.50 62.20 1n3g n PRO 45 Cb 0.54 -1.89 0.08 0.00 -0.02 0.00 0.00 33.50 32.20 1n3g n PRO 45 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1n3g n GLN 46 N -5.28 2.74 0.00 -0.52 -0.06 -1.26 -5.01 117.38 107.99 1n3g n GLN 46 Ca 0.14 -3.34 0.00 0.00 -2.00 0.00 0.00 57.00 51.80 1n3g n GLN 46 Cb 0.45 -2.29 0.00 0.00 -4.06 0.00 0.00 30.24 24.34 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 -0.91 1.63 3.80 1.69 0.00 0.16 -4.53 105.19 107.04 1n3g n GLY 47 Ca 0.62 -2.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.41 3.72 -0.87 1.61 0.08 0.25 -0.06 117.98 121.30 1n3g s PHE 48 Ca 0.00 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.60 1n3g s PHE 48 Cb 0.00 -2.73 0.26 0.00 -0.57 0.00 0.00 43.02 39.98 1n3g s PHE 48 CO 0.00 0.35 1.01 0.28 -0.10 0.00 0.00 175.22 176.76 1n3g n VAL 49 N 0.88 3.58 -2.36 -0.44 0.31 0.15 -2.44 118.33 118.01 1n3g n VAL 49 Ca -0.02 -5.44 -0.40 0.00 -0.01 0.00 0.00 64.34 58.46 1n3g n VAL 49 Cb 0.50 -2.17 -0.01 0.00 -0.91 0.00 0.00 33.84 31.25 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 1.42 3.49 -2.83 3.52 0.00 0.15 -2.61 120.51 123.65 1n3g n ALA 50 Ca 0.26 -3.70 -0.43 0.00 0.00 0.00 0.00 53.44 49.57 1n3g n ALA 50 Cb 0.37 -3.58 -0.03 0.00 0.00 0.00 0.00 19.45 16.21 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 4.50 6.37 0.25 0.00 1.01 0.27 0.33 116.67 129.40 1n3g s ASP 51 Ca 0.56 -1.39 0.06 0.00 0.71 0.00 0.00 52.55 52.49 1n3g s ASP 51 Cb 0.05 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 1n3g s ASP 51 CO 0.07 -1.34 0.33 0.00 0.21 0.00 0.00 175.17 174.44 1n3g s ALA 52 N 3.77 3.87 -0.27 5.23 0.00 0.31 -1.14 121.76 133.53 1n3g s ALA 52 Ca 0.29 -1.30 -0.07 0.00 0.00 0.00 0.00 51.96 50.88 1n3g s ALA 52 Cb -0.10 -1.61 0.13 0.00 0.00 0.00 0.00 23.12 21.54 1n3g s ALA 52 CO 0.01 0.22 0.56 -0.08 0.00 0.00 0.00 175.76 176.47 1n3g s THR 53 N -2.04 -0.88 -0.07 0.00 -1.32 0.31 0.11 115.64 111.76 1n3g s THR 53 Ca 0.35 0.04 -0.03 0.00 -1.21 0.00 0.00 61.69 60.83 1n3g s THR 53 Cb -0.09 -0.90 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 1n3g s THR 53 CO 0.28 0.01 0.09 -0.63 -2.21 0.00 0.00 174.62 172.16 1n3g s ILE 54 N 2.79 4.94 -0.71 5.08 1.01 0.21 -0.03 121.20 134.48 1n3g s ILE 54 Ca 0.01 -0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.38 1n3g s ILE 54 Cb -0.13 -3.17 0.17 0.00 0.01 0.00 0.00 42.46 39.34 1n3g s ILE 54 CO -0.17 0.51 0.68 0.21 0.00 0.00 0.00 174.94 176.17 1n3g s ASN 55 N -1.27 6.51 0.44 3.58 3.04 -1.01 -0.38 114.94 125.85 1n3g s ASN 55 Ca 0.18 -2.24 -0.00 0.00 0.04 0.00 0.00 52.86 50.84 1n3g s ASN 55 Cb -0.12 -2.23 -0.01 0.00 -1.54 0.00 0.00 41.25 37.36 1n3g s ASN 55 CO 0.08 -0.74 0.67 0.42 -3.04 0.00 0.00 177.10 174.49 1n3g s THR 56 N 1.00 4.23 0.28 -5.21 -4.23 0.11 -2.49 115.64 109.32 1n3g s THR 56 Ca 0.13 -0.41 0.25 0.00 -1.18 0.00 0.00 61.69 60.47 1n3g s THR 56 Cb -0.18 -3.57 0.25 0.00 1.34 0.00 0.00 72.50 70.34 1n3g s THR 56 CO -0.03 -0.42 1.93 1.55 -0.54 0.00 0.00 174.62 177.11 1n3g h PRO 57 N 0.41 0.00 -0.65 3.99 0.13 -1.89 -2.49 132.00 131.49 1n3g h PRO 57 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1n3g h PRO 57 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1n3g h PRO 57 CO 0.58 0.20 0.09 0.09 -0.23 0.00 0.00 178.00 178.74 1n3g n ASN 58 N -3.54 5.35 0.00 1.44 3.02 -1.26 -5.03 115.26 115.24 1n3g n ASN 58 Ca -0.01 -3.01 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 1n3g n ASN 58 Cb 0.35 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 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 0.36 0.65 3.16 7.41 0.00 -0.94 -5.06 105.19 110.77 1n3g n GLY 59 Ca 0.32 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.10 1.92 -0.32 1.61 1.01 -1.26 0.04 120.40 122.30 1n3g s VAL 60 Ca 0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 1n3g s VAL 60 Cb 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1n3g s VAL 60 CO 0.00 0.52 0.29 -0.22 0.00 0.00 0.00 175.10 175.70 1n3g s LEU 61 N 0.71 4.31 -0.33 3.92 2.96 0.49 -4.91 118.68 125.83 1n3g s LEU 61 Ca -0.11 -0.16 -0.19 0.00 -0.22 0.00 0.00 54.13 53.46 1n3g s LEU 61 Cb -0.16 -2.25 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 1n3g s LEU 61 CO 0.01 -0.23 0.54 -0.69 -1.32 0.00 0.00 176.35 174.67 1n3g s VAL 62 N 1.89 4.99 -0.47 1.68 1.01 -1.26 0.67 120.40 128.91 1n3g s VAL 62 Ca 0.10 0.50 -0.19 0.00 0.00 0.00 0.00 61.98 62.39 1n3g s VAL 62 Cb -0.17 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.29 1n3g s VAL 62 CO 0.11 -0.18 0.59 0.00 0.00 0.00 0.00 175.10 175.62 1n3g s ALA 63 N 2.46 3.38 -0.43 5.51 0.00 0.30 -4.68 121.76 128.30 1n3g s ALA 63 Ca 0.21 -1.55 -0.18 0.00 0.00 0.00 0.00 51.96 50.43 1n3g s ALA 63 Cb -0.15 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.72 1n3g s ALA 63 CO 0.13 -1.86 0.51 -1.12 0.00 0.00 0.00 175.76 173.41 1n3g s SER 64 N 2.32 6.23 -0.70 0.00 0.01 -1.26 0.11 113.70 120.40 1n3g s SER 64 Ca 0.17 -0.63 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 1n3g s SER 64 Cb -0.17 -2.25 0.18 0.00 0.21 0.00 0.00 66.02 63.98 1n3g s SER 64 CO 0.14 -0.66 0.53 -0.83 0.41 0.00 0.00 173.24 172.83 1n3g s GLY 65 N 1.96 2.73 -0.19 3.44 0.00 0.15 -3.81 107.32 111.61 1n3g s GLY 65 Ca 0.15 -3.53 -0.03 0.00 0.00 0.00 0.00 44.72 41.31 1n3g s GLY 65 CO 0.15 1.11 -0.05 -1.59 0.00 0.00 0.00 173.10 172.72 1n3g s LYS 66 N -0.68 3.49 -0.28 2.90 -2.85 -1.25 0.34 119.74 121.40 1n3g s LYS 66 Ca 0.21 -0.59 -0.36 0.00 -1.00 0.00 0.00 55.97 54.23 1n3g s LYS 66 Cb -0.15 -2.94 0.17 0.00 -2.06 0.00 0.00 37.83 32.85 1n3g s LYS 66 CO -0.07 0.00 1.36 -1.58 0.10 0.00 0.00 175.35 175.16 1n3g s HIS 67 N 0.96 -0.03 0.12 1.78 2.46 -1.02 -4.82 115.29 114.74 1n3g s HIS 67 Ca -0.00 0.03 -0.17 0.00 0.47 0.00 0.00 55.06 55.39 1n3g s HIS 67 Cb -0.15 0.50 -0.03 0.00 -0.13 0.00 0.00 32.58 32.78 1n3g s HIS 67 CO 0.01 -0.04 1.65 1.49 -2.47 0.00 0.00 174.74 175.37 1n3g h GLU 68 N 2.01 0.55 -6.68 2.88 4.57 -1.89 0.71 114.58 116.74 1n3g h GLU 68 Ca -0.04 -0.11 -0.50 0.00 -1.18 0.00 0.00 59.36 57.52 1n3g h GLU 68 Cb 1.15 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 1n3g h GLU 68 CO 0.20 0.57 0.17 -0.51 -1.18 0.00 0.00 179.01 178.25 1n3g s ASP 69 N -5.86 7.07 0.07 1.04 1.01 -1.26 -4.46 116.67 114.27 1n3g s ASP 69 Ca -0.13 1.50 -0.17 0.00 0.71 0.00 0.00 52.55 54.45 1n3g s ASP 69 Cb 0.09 -2.45 -0.13 0.00 1.01 0.00 0.00 42.92 41.45 1n3g s ASP 69 CO 0.75 -0.04 1.35 0.00 0.21 0.00 0.00 175.17 177.44 1n3g h MET 70 N 3.14 0.56 -0.02 8.23 -0.00 -2.00 -1.97 114.93 122.88 1n3g h MET 70 Ca -0.48 -0.34 -0.06 0.00 -0.00 0.00 0.00 59.70 58.83 1n3g h MET 70 Cb 1.19 0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.81 1n3g h MET 70 CO 0.65 0.94 -0.25 1.88 -0.00 0.00 0.00 176.91 180.13 1n3g h TYR 71 N 0.24 0.03 -0.01 -0.10 -1.99 -1.95 -1.46 116.97 111.73 1n3g h TYR 71 Ca 0.02 -0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.59 1n3g h TYR 71 Cb 0.89 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.60 1n3g h TYR 71 CO 0.09 0.28 -0.69 1.79 -0.00 0.00 0.00 178.16 179.63 1n3g h THR 72 N 0.03 1.47 -0.28 -2.88 1.35 -1.93 -2.67 112.91 108.00 1n3g h THR 72 Ca 0.00 -2.30 -0.09 0.00 -0.55 0.00 0.00 66.41 63.47 1n3g h THR 72 Cb 0.46 2.23 -0.01 0.00 -1.73 0.00 0.00 68.15 69.10 1n3g h THR 72 CO 0.03 0.66 -0.21 0.00 -0.25 0.00 0.00 175.52 175.76 1n3g h ALA 73 N 1.24 1.12 0.02 6.62 0.00 -0.49 -1.58 119.26 126.19 1n3g h ALA 73 Ca -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1n3g h ALA 73 Cb 1.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1n3g h ALA 73 CO 0.10 0.55 -0.01 0.82 0.00 0.00 0.00 179.25 180.71 1n3g h ILE 74 N 0.46 1.33 -0.86 0.00 1.08 -1.26 -2.53 117.51 115.73 1n3g h ILE 74 Ca 0.07 -1.07 0.06 0.00 -0.39 0.00 0.00 64.86 63.53 1n3g h ILE 74 Cb 0.62 2.04 -0.05 0.00 -3.07 0.00 0.00 36.82 36.36 1n3g h ILE 74 CO 0.04 0.27 0.56 0.78 -0.69 0.00 0.00 178.15 179.12 1n3g h ASN 75 N -0.49 0.87 -0.76 1.72 2.35 -1.39 -1.29 115.58 116.59 1n3g h ASN 75 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1n3g h ASN 75 Cb 0.47 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1n3g h ASN 75 CO 0.00 0.57 0.26 -0.08 -1.65 0.00 0.00 177.43 176.54 1n3g h GLU 76 N 0.99 1.17 -0.16 0.81 4.57 -1.25 -0.95 114.58 119.76 1n3g h GLU 76 Ca 0.36 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1n3g h GLU 76 Cb 0.17 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1n3g h GLU 76 CO -0.13 0.98 0.10 1.25 -1.18 0.00 0.00 179.01 180.03 1n3g h LEU 77 N 1.13 0.19 -1.13 1.64 6.46 -0.80 -2.31 115.31 120.48 1n3g h LEU 77 Ca 0.25 -0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.89 1n3g h LEU 77 Cb 0.28 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1n3g h LEU 77 CO -0.01 0.17 -0.20 -0.29 -0.62 0.00 0.00 178.44 177.49 1n3g h ILE 78 N 0.19 1.24 0.62 4.05 6.09 -1.23 -2.42 117.51 126.05 1n3g h ILE 78 Ca 0.06 -1.08 -0.03 0.00 -1.37 0.00 0.00 64.86 62.43 1n3g h ILE 78 Cb 0.02 1.30 0.01 0.00 0.47 0.00 0.00 36.82 38.61 1n3g h ILE 78 CO -0.01 0.34 -0.30 -1.13 -3.07 0.00 0.00 178.15 173.98 1n3g h ASN 79 N 0.34 -0.71 -0.34 2.19 -1.24 -0.81 0.26 115.58 115.27 1n3g h ASN 79 Ca 0.06 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.10 1n3g h ASN 79 Cb 0.55 0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.75 1n3g h ASN 79 CO 0.04 -0.47 0.17 0.11 -1.29 0.00 0.00 177.43 175.99 1n3g h LYS 80 N -0.88 0.35 -0.00 6.67 1.57 -1.40 -2.64 116.57 120.23 1n3g h LYS 80 Ca -0.09 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1n3g h LYS 80 Cb 0.66 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 1n3g h LYS 80 CO 0.14 0.23 0.00 -0.07 -0.57 0.00 0.00 179.45 179.18 1n3g h LEU 81 N 0.36 0.01 -0.00 2.94 3.38 -1.38 -1.75 115.31 118.86 1n3g h LEU 81 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1n3g h LEU 81 Cb 0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1n3g h LEU 81 CO -0.09 0.03 -0.01 -0.33 0.09 0.00 0.00 178.44 178.12 1n3g h GLU 82 N -0.01 -0.01 -0.46 1.13 5.08 -0.25 0.51 114.58 120.57 1n3g h GLU 82 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1n3g h GLU 82 Cb 0.02 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.18 1n3g h GLU 82 CO -0.00 -0.01 -0.22 0.07 -1.00 0.00 0.00 179.01 177.85 1n3g h ARG 83 N -0.01 -0.12 -0.02 2.33 0.11 -1.53 0.47 114.38 115.61 1n3g h ARG 83 Ca 0.00 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1n3g h ARG 83 Cb 0.02 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.13 1n3g h ARG 83 CO -0.01 -0.08 0.04 1.96 0.10 0.00 0.00 179.97 181.98 1n3g h GLN 84 N -0.13 0.00 0.07 0.08 4.20 -0.99 -2.63 115.11 115.72 1n3g h GLN 84 Ca 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 1n3g h GLN 84 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1n3g h GLN 84 CO -0.53 0.00 -0.03 1.25 -0.67 0.00 0.00 178.83 178.84 1n3g h LEU 85 N 0.00 -0.08 -1.60 1.46 6.46 0.49 -1.48 115.31 120.56 1n3g h LEU 85 Ca 0.01 0.00 0.36 0.00 -0.12 0.00 0.00 57.88 58.13 1n3g h LEU 85 Cb 0.09 0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 39.95 1n3g h LEU 85 CO -0.00 0.15 0.83 -0.55 -0.62 0.00 0.00 178.44 178.25 1n3g h ASN 86 N -0.51 0.23 0.06 1.25 7.08 -1.23 0.39 115.58 122.86 1n3g h ASN 86 Ca -0.01 0.07 -0.00 0.00 -3.08 0.00 0.00 56.30 53.28 1n3g h ASN 86 Cb 0.07 0.04 0.00 0.00 -2.08 0.00 0.00 38.32 36.35 1n3g h ASN 86 CO 0.02 -0.02 -0.03 0.50 -2.08 0.00 0.00 177.43 175.82 1n3g h LYS 87 N 0.17 -0.08 -0.08 4.14 3.11 -1.58 -1.61 116.57 120.64 1n3g h LYS 87 Ca 0.67 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 58.54 1n3g h LYS 87 Cb 2.18 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 33.43 1n3g h LYS 87 CO -0.23 0.30 0.16 1.25 -2.81 0.00 0.00 179.45 178.13 1n3g h LEU 88 N -0.98 0.00 0.16 5.20 7.12 -0.09 -1.66 115.31 125.05 1n3g h LEU 88 Ca -0.01 0.00 -0.35 0.00 0.13 0.00 0.00 57.88 57.65 1n3g h LEU 88 Cb 0.42 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.55 1n3g h LEU 88 CO 0.01 0.00 -1.83 1.56 -0.13 0.00 0.00 178.44 178.06 1n3g h GLN 89 N 0.00 0.34 -0.57 1.25 1.08 -0.34 -3.33 115.11 113.53 1n3g h GLN 89 Ca 0.04 -0.58 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 1n3g h GLN 89 Cb 0.36 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1n3g h GLN 89 CO -0.00 1.28 0.00 -2.39 -0.95 0.00 0.00 178.83 176.77 1n3g n HIS 90 N -3.58 0.00 -2.89 2.96 1.44 -0.60 -4.14 115.22 108.40 1n3g n HIS 90 Ca -0.28 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.10 1n3g n HIS 90 Cb 1.05 -0.06 -0.02 0.00 0.12 0.00 0.00 29.99 31.09 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 -0.16 4.04 -0.10 -1.40 4.81 -1.07 -5.03 118.16 119.26 1n3g n LYS 91 Ca 0.00 -4.76 -0.04 0.00 -0.87 0.00 0.00 58.31 52.64 1n3g n LYS 91 Cb 0.14 -2.34 -0.01 0.00 0.02 0.00 0.00 35.03 32.84 1n3g n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n3g n GLY 92 N 0.05 -0.01 3.50 3.14 0.00 -1.26 -4.48 105.19 106.13 1n3g n GLY 92 Ca 0.36 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 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 0.51 0.34 -0.61 1.61 -0.58 -1.26 -4.75 120.64 115.89 1n3g n GLU 93 Ca 0.04 0.01 0.02 0.00 -0.42 0.00 0.00 57.16 56.81 1n3g n GLU 93 Cb -0.00 -2.09 0.20 0.00 -0.57 0.00 0.00 31.44 28.98 1n3g n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n3g n ALA 94 N 11.87 3.72 -2.79 0.62 0.00 -1.26 -4.83 120.51 127.84 1n3g n ALA 94 Ca 0.56 -3.03 -0.42 0.00 0.00 0.00 0.00 53.44 50.55 1n3g n ALA 94 Cb 0.18 -0.58 0.01 0.00 0.00 0.00 0.00 19.45 19.06 1n3g n ALA 94 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1n3g n ARG 95 N -1.09 4.91 0.21 0.00 0.63 -1.26 -4.73 116.66 115.33 1n3g n ARG 95 Ca 0.26 -4.55 0.08 0.00 -0.92 0.00 0.00 57.85 52.72 1n3g n ARG 95 Cb 0.87 -2.51 0.40 0.00 0.45 0.00 0.00 32.46 31.67 1n3g n ARG 95 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1n3g h ARG 96 N 4.87 0.00 -7.34 -0.14 2.47 -2.01 -3.45 114.38 108.78 1n3g h ARG 96 Ca 0.37 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.59 1n3g h ARG 96 Cb 0.47 0.00 0.12 0.00 -1.65 0.00 0.00 29.97 28.91 1n3g h ARG 96 CO 1.28 0.28 0.33 0.00 0.56 0.00 0.00 179.97 182.41 1n3g s ALA 97 N -3.60 2.27 -1.89 0.04 0.00 -1.26 -3.43 121.76 113.89 1n3g s ALA 97 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1n3g s ALA 97 Cb 0.10 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1n3g s ALA 97 CO 0.66 -1.68 0.00 0.00 0.00 0.00 0.00 175.76 174.73 1n3g n ALA 98 N -3.44 -0.27 -2.52 0.00 0.00 -1.26 -4.94 120.51 108.08 1n3g n ALA 98 Ca 0.08 0.29 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 1n3g n ALA 98 Cb 0.54 -1.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.59 4.86 -0.85 0.00 2.01 -1.22 -5.01 115.64 112.84 1n3g s THR 99 Ca 0.00 0.11 -0.16 0.00 0.31 0.00 0.00 61.69 61.95 1n3g s THR 99 Cb 0.00 -4.18 0.17 0.00 0.01 0.00 0.00 72.50 68.50 1n3g s THR 99 CO 0.00 -0.56 0.91 -0.94 -0.69 0.00 0.00 174.62 173.34 1n3g s SER 100 N 1.97 6.65 0.00 3.53 1.04 -1.26 -4.85 113.70 120.78 1n3g s SER 100 Ca 0.22 -2.31 0.00 0.00 0.48 0.00 0.00 55.95 54.34 1n3g s SER 100 Cb -0.14 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1n3g s SER 100 CO 0.18 -0.82 0.00 0.52 0.98 0.00 0.00 173.24 174.10 1n3g n VAL 101 N 4.74 0.00 -0.34 5.02 0.31 -1.26 -4.59 118.33 122.20 1n3g n VAL 101 Ca 0.16 0.48 -0.06 0.00 -0.01 0.00 0.00 64.34 64.90 1n3g n VAL 101 Cb 0.47 -1.47 0.18 0.00 -0.91 0.00 0.00 33.84 32.12 1n3g n VAL 101 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1n3g n LYS 102 N -2.37 2.59 -1.58 5.55 4.81 -1.26 -4.98 118.16 120.92 1n3g n LYS 102 Ca 0.00 -1.99 -0.41 0.00 -0.87 0.00 0.00 58.31 55.05 1n3g n LYS 102 Cb 0.00 -1.87 0.02 0.00 0.02 0.00 0.00 35.03 33.20 1n3g n LYS 102 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1n3g n ASP 103 N -0.13 0.69 -2.99 3.14 2.03 -1.26 -4.84 116.55 113.19 1n3g n ASP 103 Ca 0.29 0.96 -0.32 0.00 0.52 0.00 0.00 54.79 56.24 1n3g n ASP 103 Cb 1.08 -1.31 -0.05 0.00 -0.72 0.00 0.00 41.12 40.12 1n3g n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n3g n ALA 104 N -0.82 7.00 0.11 -1.67 0.00 -1.26 -4.28 120.51 119.58 1n3g n ALA 104 Ca 0.11 -3.28 0.11 0.00 0.00 0.00 0.00 53.44 50.37 1n3g n ALA 104 Cb 0.41 -2.85 -0.16 0.00 0.00 0.00 0.00 19.45 16.86 1n3g n ALA 104 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1n3g n ASN 105 N 2.51 0.15 -4.55 0.00 4.05 -1.26 -4.83 115.26 111.33 1n3g n ASN 105 Ca 0.64 -0.09 -0.13 0.00 0.45 0.00 0.00 54.58 55.44 1n3g n ASN 105 Cb 0.41 1.82 -0.10 0.00 1.23 0.00 0.00 39.78 43.14 1n3g n ASN 105 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 177.26 176.43 1n3g n PHE 106 N -2.19 0.94 -0.47 1.20 1.16 -1.26 -4.64 117.46 112.19 1n3g n PHE 106 Ca -0.03 -0.10 0.10 0.00 -1.87 0.00 0.00 57.45 55.56 1n3g n PHE 106 Cb 0.54 -2.47 0.34 0.00 -1.61 0.00 0.00 39.48 36.28 1n3g n PHE 106 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 1n3g n VAL 107 N 8.72 1.44 0.00 1.97 0.24 -1.26 -4.70 118.33 124.73 1n3g n VAL 107 Ca 0.42 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 1n3g n VAL 107 Cb 0.45 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 1n3g n VAL 107 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1n3g n GLU 108 N 1.38 0.00 -1.55 7.34 2.13 -1.26 -5.08 120.64 123.59 1n3g n GLU 108 Ca 0.25 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.85 1n3g n GLU 108 Cb 0.77 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.40 1n3g n GLU 108 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1n3g n GLU 109 N 0.00 0.63 -3.73 5.31 0.28 -1.26 -4.86 120.64 117.00 1n3g n GLU 109 Ca 0.00 -0.48 -0.13 0.00 -0.16 0.00 0.00 57.16 56.40 1n3g n GLU 109 Cb 0.00 -3.27 -0.10 0.00 1.43 0.00 0.00 31.44 29.50 1n3g n GLU 109 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1n3g s VAL 110 N 12.45 -0.01 -2.10 3.84 1.01 -1.26 -4.95 120.40 129.38 1n3g s VAL 110 Ca 1.00 0.02 0.31 0.00 0.00 0.00 0.00 61.98 63.32 1n3g s VAL 110 Cb -0.27 -0.55 0.80 0.00 0.00 0.00 0.00 36.38 36.37 1n3g s VAL 110 CO 0.20 0.01 2.10 1.21 0.00 0.00 0.00 175.10 178.62 1n3g n GLU 111 N 3.19 1.14 0.00 2.72 2.13 -1.26 -4.93 120.64 123.64 1n3g n GLU 111 Ca -0.16 -0.24 0.00 0.00 0.66 0.00 0.00 57.16 57.42 1n3g n GLU 111 Cb 0.57 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.78 1n3g n GLU 111 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1n3g n GLU 112 N -0.72 0.00 0.00 5.31 0.00 -1.26 -5.34 120.64 118.63 1n3g n GLU 112 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.44 1n3g n GLU 112 Cb 0.18 0.00 0.31 0.00 0.00 0.00 0.00 31.44 31.93 1n3g n GLU 112 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22