#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 -2.90 1.12 -2.24 -1.06 -4.97 114.28 104.23 1n3g n THR 2 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1n3g n THR 2 Cb 0.00 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 67.95 1n3g n THR 2 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1n3g n MET 3 N 0.00 0.47 -3.51 -0.78 0.00 -1.26 -4.61 117.12 107.42 1n3g n MET 3 Ca 0.00 -2.29 -0.42 0.00 0.00 0.00 0.00 57.70 54.99 1n3g n MET 3 Cb 0.00 -1.51 -0.10 0.00 0.00 0.00 0.00 33.22 31.61 1n3g n MET 3 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1n3g s ASN 4 N 0.63 5.91 -0.32 6.12 -0.87 -0.84 -5.03 114.94 120.53 1n3g s ASN 4 Ca 0.31 -1.17 -0.02 0.00 -1.57 0.00 0.00 52.86 50.41 1n3g s ASN 4 Cb 0.01 -2.09 0.06 0.00 -0.02 0.00 0.00 41.25 39.22 1n3g s ASN 4 CO -0.09 -0.50 0.04 -0.63 -2.57 0.00 0.00 177.10 173.35 1n3g s ILE 5 N 1.58 2.99 -0.90 0.60 1.01 -1.26 0.04 121.20 125.26 1n3g s ILE 5 Ca 0.03 -1.55 -0.00 0.00 0.00 0.00 0.00 60.65 59.13 1n3g s ILE 5 Cb -0.21 -2.80 0.27 0.00 0.01 0.00 0.00 42.46 39.73 1n3g s ILE 5 CO 0.06 -0.23 1.10 1.07 0.00 0.00 0.00 174.94 176.94 1n3g n THR 6 N 4.60 3.89 -2.13 2.92 5.66 -0.38 -4.96 114.28 123.89 1n3g n THR 6 Ca -0.10 -5.54 -0.33 0.00 -3.05 0.00 0.00 64.05 55.03 1n3g n THR 6 Cb 0.43 -2.15 0.01 0.00 -1.55 0.00 0.00 70.33 67.06 1n3g n THR 6 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1n3g s SER 7 N -1.66 5.75 0.00 1.09 0.01 -1.26 -4.66 113.70 112.98 1n3g s SER 7 Ca 0.34 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.54 1n3g s SER 7 Cb 0.06 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1n3g s SER 7 CO 0.02 -1.19 0.00 1.17 0.41 0.00 0.00 173.24 173.65 1n3g n LYS 8 N -1.76 0.00 -0.63 12.44 4.81 -1.26 -4.70 118.16 127.05 1n3g n LYS 8 Ca 0.10 0.12 0.02 0.00 -0.87 0.00 0.00 58.31 57.68 1n3g n LYS 8 Cb 0.52 -0.56 0.20 0.00 0.02 0.00 0.00 35.03 35.21 1n3g n LYS 8 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1n3g n GLN 9 N -1.10 1.75 -3.30 1.64 3.00 -1.26 -4.87 117.38 113.24 1n3g n GLN 9 Ca 0.00 -3.16 -0.09 0.00 -0.01 0.00 0.00 57.00 53.74 1n3g n GLN 9 Cb 0.00 -1.71 -0.05 0.00 0.00 0.00 0.00 30.24 28.48 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 -3.18 0.60 1.01 -1.09 1.75 -1.26 -4.56 119.30 112.57 1n3g s MET 10 Ca 0.41 -0.33 -0.15 0.00 -1.25 0.00 0.00 55.69 54.36 1n3g s MET 10 Cb 0.38 -0.35 0.24 0.00 2.84 0.00 0.00 34.83 37.93 1n3g s MET 10 CO -0.02 -1.14 0.53 0.39 -0.65 0.00 0.00 175.02 174.13 1n3g n GLU 11 N 4.70 -2.74 -3.42 4.11 4.71 -1.26 -4.55 120.64 122.19 1n3g n GLU 11 Ca 0.07 -0.89 -0.44 0.00 -0.01 0.00 0.00 57.16 55.89 1n3g n GLU 11 Cb 0.50 -1.38 -0.05 0.00 -1.01 0.00 0.00 31.44 29.49 1n3g n GLU 11 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1n3g s ILE 12 N -1.84 4.95 0.75 -3.67 -1.09 -1.26 -5.00 121.20 114.04 1n3g s ILE 12 Ca 0.41 -2.04 -0.13 0.00 -2.23 0.00 0.00 60.65 56.66 1n3g s ILE 12 Cb -0.07 -4.15 0.05 0.00 -1.58 0.00 0.00 42.46 36.71 1n3g s ILE 12 CO 0.34 -0.90 1.16 0.42 -1.23 0.00 0.00 174.94 174.73 1n3g s THR 13 N 0.90 2.62 0.44 2.92 -4.23 -1.26 -4.60 115.64 112.43 1n3g s THR 13 Ca 0.10 0.27 0.20 0.00 -1.18 0.00 0.00 61.69 61.08 1n3g s THR 13 Cb -0.22 -2.71 0.40 0.00 1.34 0.00 0.00 72.50 71.32 1n3g s THR 13 CO -0.02 -0.20 1.85 1.55 -0.54 0.00 0.00 174.62 177.25 1n3g h PRO 14 N -0.64 0.32 0.05 3.99 0.13 -1.98 0.12 132.00 133.99 1n3g h PRO 14 Ca -0.46 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1n3g h PRO 14 Cb 1.27 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1n3g h PRO 14 CO 0.49 0.21 -0.03 0.00 -0.23 0.00 0.00 178.00 178.45 1n3g h ALA 15 N 1.60 -0.07 0.52 -0.56 0.00 -1.99 -2.45 119.26 116.31 1n3g h ALA 15 Ca 0.48 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1n3g h ALA 15 Cb 1.32 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1n3g h ALA 15 CO -0.16 -0.22 -0.25 0.82 0.00 0.00 0.00 179.25 179.43 1n3g h ILE 16 N -0.70 0.47 -0.79 0.00 2.04 -1.67 -1.81 117.51 115.05 1n3g h ILE 16 Ca -0.01 -0.10 0.10 0.00 1.00 0.00 0.00 64.86 65.85 1n3g h ILE 16 Cb 0.60 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 1n3g h ILE 16 CO 0.01 0.02 0.42 -0.09 0.00 0.00 0.00 178.15 178.51 1n3g h ARG 17 N -0.77 0.68 0.25 2.37 1.12 -0.93 -1.87 114.38 115.23 1n3g h ARG 17 Ca -0.07 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.75 1n3g h ARG 17 Cb 0.57 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 30.37 1n3g h ARG 17 CO 0.12 0.45 -0.14 1.96 -3.11 0.00 0.00 179.97 179.25 1n3g h GLN 18 N 0.70 -0.36 -0.40 0.20 7.50 -1.32 0.69 115.11 122.13 1n3g h GLN 18 Ca 0.39 0.02 0.08 0.00 0.50 0.00 0.00 58.65 59.64 1n3g h GLN 18 Cb 0.40 0.08 -0.08 0.00 0.05 0.00 0.00 27.48 27.93 1n3g h GLN 18 CO -0.27 -0.24 -0.12 0.45 -1.50 0.00 0.00 178.83 177.16 1n3g h HIS 19 N -0.37 -0.27 -0.58 2.96 3.86 -0.84 -0.40 115.15 119.51 1n3g h HIS 19 Ca -0.03 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1n3g h HIS 19 Cb 0.30 0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 1n3g h HIS 19 CO -0.08 -0.19 0.30 0.28 0.86 0.00 0.00 177.93 179.10 1n3g h VAL 20 N -0.03 1.20 -0.10 2.45 2.07 -1.18 -2.55 116.25 118.11 1n3g h VAL 20 Ca 0.19 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1n3g h VAL 20 Cb 0.32 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1n3g h VAL 20 CO -0.42 0.23 -0.10 0.00 0.02 0.00 0.00 177.57 177.30 1n3g h ALA 21 N 1.13 -0.01 -0.94 1.67 0.00 0.17 0.54 119.26 121.82 1n3g h ALA 21 Ca 0.20 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.24 1n3g h ALA 21 Cb 0.09 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1n3g h ALA 21 CO -0.03 -0.55 0.61 -0.44 0.00 0.00 0.00 179.25 178.83 1n3g h ASP 22 N -0.12 0.91 0.02 0.00 5.19 -0.98 -0.21 116.42 121.23 1n3g h ASP 22 Ca 0.07 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1n3g h ASP 22 Cb 0.22 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1n3g h ASP 22 CO -0.18 0.55 -0.01 0.03 -3.12 0.00 0.00 179.24 176.52 1n3g h ARG 23 N 1.02 -0.02 -0.09 3.56 -0.00 -0.95 -2.67 114.38 115.23 1n3g h ARG 23 Ca 0.42 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.93 1n3g h ARG 23 Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.27 1n3g h ARG 23 CO -0.18 0.61 0.14 1.25 0.00 0.00 0.00 179.97 181.79 1n3g h LEU 24 N -0.68 0.00 0.07 3.04 5.85 0.40 -1.75 115.31 122.24 1n3g h LEU 24 Ca -0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1n3g h LEU 24 Cb 0.64 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.68 1n3g h LEU 24 CO 0.00 0.00 -0.41 0.00 -0.34 0.00 0.00 178.44 177.69 1n3g h ALA 25 N 1.80 -0.05 0.00 1.25 0.00 -1.00 -3.30 119.26 117.96 1n3g h ALA 25 Ca 0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1n3g h ALA 25 Cb 0.32 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1n3g h ALA 25 CO -0.00 0.19 -0.10 1.57 0.00 0.00 0.00 179.25 180.91 1n3g h LYS 26 N -0.69 0.00 -0.46 0.00 2.10 -1.03 -2.32 116.57 114.17 1n3g h LYS 26 Ca -0.07 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.71 1n3g h LYS 26 Cb 1.32 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.63 1n3g h LYS 26 CO 0.08 0.10 0.44 1.25 -2.00 0.00 0.00 179.45 179.32 1n3g h LEU 27 N 0.00 0.00 -1.98 7.07 6.46 -1.42 0.54 115.31 125.98 1n3g h LEU 27 Ca -0.00 0.00 0.09 0.00 -0.12 0.00 0.00 57.88 57.85 1n3g h LEU 27 Cb 0.26 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1n3g h LEU 27 CO 0.01 0.00 0.42 -0.33 -0.62 0.00 0.00 178.44 177.92 1n3g h GLU 28 N 0.00 0.00 0.00 1.25 4.39 -1.57 0.52 114.58 119.17 1n3g h GLU 28 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1n3g h GLU 28 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1n3g h GLU 28 CO -0.00 0.00 0.00 1.17 -1.16 0.00 0.00 179.01 179.02 1n3g n LYS 29 N -3.55 0.09 -1.18 2.33 3.00 0.18 -3.44 118.16 115.60 1n3g n LYS 29 Ca 0.05 0.18 -0.24 0.00 -0.00 0.00 0.00 58.31 58.31 1n3g n LYS 29 Cb 0.57 -1.50 0.02 0.00 0.00 0.00 0.00 35.03 34.12 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 -1.42 1.90 -1.05 5.64 7.02 0.18 -4.80 117.44 124.91 1n3g n TRP 30 Ca 0.06 -2.15 -0.05 0.00 -1.02 0.00 0.00 57.50 54.33 1n3g n TRP 30 Cb 0.17 -1.17 -0.02 0.00 -2.42 0.00 0.00 31.31 27.87 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 0.24 -1.28 -4.35 -0.99 6.02 -1.22 -4.87 117.38 110.93 1n3g n GLN 31 Ca 0.42 0.35 -0.22 0.00 -0.01 0.00 0.00 57.00 57.54 1n3g n GLN 31 Cb 0.57 -4.31 -0.11 0.00 1.02 0.00 0.00 30.24 27.41 1n3g n GLN 31 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1n3g s THR 32 N -1.35 1.89 -0.00 5.09 -4.23 -1.25 -5.05 115.64 110.73 1n3g s THR 32 Ca 0.00 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1n3g s THR 32 Cb 0.00 -1.93 -0.00 0.00 1.34 0.00 0.00 72.50 71.91 1n3g s THR 32 CO 0.00 -0.35 0.01 0.00 -0.54 0.00 0.00 174.62 173.73 1n3g n HIS 33 N 0.12 0.00 -1.42 3.99 1.44 -1.26 -4.12 115.22 113.96 1n3g n HIS 33 Ca -0.12 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.59 1n3g n HIS 33 Cb 0.58 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.68 1n3g n HIS 33 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1n3g n LEU 34 N -1.37 -1.92 0.03 2.39 7.99 -1.26 -3.83 117.00 119.02 1n3g n LEU 34 Ca -0.00 2.69 0.00 0.00 -0.01 0.00 0.00 56.01 58.69 1n3g n LEU 34 Cb 0.00 -2.63 0.00 0.00 -0.11 0.00 0.00 43.42 40.69 1n3g n LEU 34 CO 0.00 0.05 0.00 -0.38 -1.51 0.00 0.00 177.39 175.56 1n3g n ILE 35 N -1.40 0.57 -3.63 -0.08 5.41 -0.55 -1.35 119.36 118.34 1n3g n ILE 35 Ca 0.00 0.19 -0.39 0.00 1.00 0.00 0.00 62.75 63.55 1n3g n ILE 35 Cb 0.13 -1.20 -0.09 0.00 -0.71 0.00 0.00 39.64 37.77 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 -5.41 5.58 -0.88 4.38 2.47 -1.25 -2.01 114.94 117.81 1n3g s ASN 36 Ca 0.00 -2.21 -0.18 0.00 0.42 0.00 0.00 52.86 50.89 1n3g s ASN 36 Cb 0.00 -1.95 0.15 0.00 -1.45 0.00 0.00 41.25 38.00 1n3g s ASN 36 CO 0.00 -0.58 1.02 -2.16 -3.72 0.00 0.00 177.10 171.66 1n3g s PRO 37 N 0.90 3.56 -0.75 0.43 0.04 -1.26 -1.72 135.00 136.21 1n3g s PRO 37 Ca 0.10 -1.86 -0.20 0.00 0.04 0.00 0.00 61.00 59.07 1n3g s PRO 37 Cb -0.23 -4.76 0.10 0.00 0.04 0.00 0.00 34.50 29.66 1n3g s PRO 37 CO -0.03 -1.66 0.97 -1.58 0.04 0.00 0.00 177.00 174.74 1n3g s HIS 38 N 2.18 2.92 -0.26 0.56 2.46 0.29 -1.99 115.29 121.46 1n3g s HIS 38 Ca 0.28 -0.96 -0.17 0.00 0.47 0.00 0.00 55.06 54.68 1n3g s HIS 38 Cb -0.07 -4.22 -0.03 0.00 -0.13 0.00 0.00 32.58 28.12 1n3g s HIS 38 CO -0.08 -1.51 0.46 0.42 -2.47 0.00 0.00 174.74 171.57 1n3g s ILE 39 N 3.22 5.11 -0.66 0.89 1.01 0.11 0.35 121.20 131.22 1n3g s ILE 39 Ca 0.24 0.78 -0.01 0.00 0.00 0.00 0.00 60.65 61.65 1n3g s ILE 39 Cb -0.14 -3.78 0.17 0.00 0.01 0.00 0.00 42.46 38.71 1n3g s ILE 39 CO 0.02 0.12 0.47 -0.63 0.00 0.00 0.00 174.94 174.92 1n3g s ILE 40 N 2.15 3.59 -0.51 2.92 1.01 0.27 -1.24 121.20 129.38 1n3g s ILE 40 Ca 0.19 -3.24 -0.13 0.00 0.00 0.00 0.00 60.65 57.47 1n3g s ILE 40 Cb -0.16 -3.34 0.13 0.00 0.01 0.00 0.00 42.46 39.10 1n3g s ILE 40 CO 0.09 -0.91 0.44 -0.22 0.00 0.00 0.00 174.94 174.34 1n3g s LEU 41 N -0.38 5.99 0.22 2.97 0.20 -1.24 -0.71 118.68 125.73 1n3g s LEU 41 Ca 0.19 -1.85 0.10 0.00 0.69 0.00 0.00 54.13 53.26 1n3g s LEU 41 Cb -0.18 -2.13 -0.04 0.00 -0.43 0.00 0.00 46.19 43.41 1n3g s LEU 41 CO -0.05 -0.79 -0.08 -0.44 -0.29 0.00 0.00 176.35 174.70 1n3g s SER 42 N 3.20 4.25 -0.55 3.68 0.01 -0.82 -4.41 113.70 119.07 1n3g s SER 42 Ca 0.04 -0.66 -0.23 0.00 1.31 0.00 0.00 55.95 56.40 1n3g s SER 42 Cb -0.28 -0.70 0.04 0.00 0.21 0.00 0.00 66.02 65.29 1n3g s SER 42 CO 0.01 0.06 0.90 -0.75 0.41 0.00 0.00 173.24 173.88 1n3g s LYS 43 N -3.20 3.29 -0.02 12.44 2.20 -1.26 -0.46 119.74 132.74 1n3g s LYS 43 Ca 0.28 -0.37 -0.11 0.00 -0.36 0.00 0.00 55.97 55.41 1n3g s LYS 43 Cb -0.07 -4.07 -0.05 0.00 -1.51 0.00 0.00 37.83 32.13 1n3g s LYS 43 CO 0.17 -1.47 0.32 -1.21 -0.36 0.00 0.00 175.35 172.80 1n3g s GLU 44 N 3.78 3.72 0.27 4.03 8.01 0.13 -4.92 118.70 133.73 1n3g s GLU 44 Ca 0.28 0.17 0.00 0.00 0.01 0.00 0.00 54.97 55.43 1n3g s GLU 44 Cb -0.14 -3.16 0.62 0.00 -4.31 0.00 0.00 34.13 27.15 1n3g s GLU 44 CO 0.18 0.69 1.37 -2.30 0.01 0.00 0.00 175.26 175.20 1n3g n PRO 45 N 1.62 -0.07 -1.33 0.39 -0.01 -1.26 0.34 135.00 134.67 1n3g n PRO 45 Ca -0.14 1.32 -0.29 0.00 -0.01 0.00 0.00 63.50 64.37 1n3g n PRO 45 Cb 0.53 -2.07 0.11 0.00 -0.01 0.00 0.00 33.50 32.05 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 -5.30 2.60 0.00 -0.52 7.27 -1.26 -5.03 117.38 115.15 1n3g n GLN 46 Ca 0.19 -3.29 0.00 0.00 0.07 0.00 0.00 57.00 53.98 1n3g n GLN 46 Cb 0.63 -2.23 0.00 0.00 2.41 0.00 0.00 30.24 31.05 1n3g n GLN 46 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1n3g n GLY 47 N -0.97 1.48 3.79 1.69 0.00 0.15 -4.62 105.19 106.70 1n3g n GLY 47 Ca 0.59 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 1n3g n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n3g s PHE 48 N -1.30 3.83 -0.72 1.61 2.19 0.78 0.23 117.98 124.60 1n3g s PHE 48 Ca 0.00 1.54 -0.04 0.00 0.33 0.00 0.00 56.93 58.76 1n3g s PHE 48 Cb 0.00 -2.70 0.18 0.00 -1.31 0.00 0.00 43.02 39.19 1n3g s PHE 48 CO 0.00 0.48 0.56 0.08 1.83 0.00 0.00 175.22 178.17 1n3g s VAL 49 N -1.24 4.10 -0.95 3.12 1.01 0.39 -2.44 120.40 124.40 1n3g s VAL 49 Ca 0.37 -3.13 -0.17 0.00 0.00 0.00 0.00 61.98 59.05 1n3g s VAL 49 Cb -0.21 -3.62 0.16 0.00 0.00 0.00 0.00 36.38 32.71 1n3g s VAL 49 CO 0.24 -0.95 1.09 0.00 0.00 0.00 0.00 175.10 175.48 1n3g s ALA 50 N -0.36 3.67 -0.67 5.51 0.00 -0.97 -1.94 121.76 126.99 1n3g s ALA 50 Ca 0.20 -3.02 -0.19 0.00 0.00 0.00 0.00 51.96 48.95 1n3g s ALA 50 Cb -0.16 -3.92 0.11 0.00 0.00 0.00 0.00 23.12 19.15 1n3g s ALA 50 CO -0.06 -2.77 0.80 -0.51 0.00 0.00 0.00 175.76 173.22 1n3g s ASP 51 N 3.10 6.30 -0.69 0.00 1.11 0.11 0.12 116.67 126.72 1n3g s ASP 51 Ca 0.31 -1.58 -0.17 0.00 0.18 0.00 0.00 52.55 51.29 1n3g s ASP 51 Cb -0.06 -2.32 0.14 0.00 1.07 0.00 0.00 42.92 41.75 1n3g s ASP 51 CO -0.08 -1.10 0.73 0.00 1.18 0.00 0.00 175.17 175.90 1n3g s ALA 52 N 2.63 3.63 -0.62 5.23 0.00 -0.42 0.93 121.76 133.15 1n3g s ALA 52 Ca 0.16 -2.65 -0.20 0.00 0.00 0.00 0.00 51.96 49.27 1n3g s ALA 52 Cb -0.19 -3.54 0.09 0.00 0.00 0.00 0.00 23.12 19.47 1n3g s ALA 52 CO 0.03 -2.35 0.81 0.99 0.00 0.00 0.00 175.76 175.25 1n3g s THR 53 N 1.81 4.61 -0.11 0.00 2.01 0.15 0.11 115.64 124.23 1n3g s THR 53 Ca 0.14 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.39 1n3g s THR 53 Cb -0.19 -4.57 -0.03 0.00 0.01 0.00 0.00 72.50 67.72 1n3g s THR 53 CO -0.00 -1.26 -0.00 -0.63 -0.69 0.00 0.00 174.62 172.03 1n3g s ILE 54 N 3.26 4.25 -0.70 1.82 1.01 -0.11 0.11 121.20 130.84 1n3g s ILE 54 Ca 0.16 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.40 1n3g s ILE 54 Cb -0.21 -2.82 0.18 0.00 0.01 0.00 0.00 42.46 39.62 1n3g s ILE 54 CO 0.08 0.56 0.66 0.21 0.00 0.00 0.00 174.94 176.45 1n3g s ASN 55 N -0.44 6.50 0.54 3.58 3.04 -0.70 0.14 114.94 127.60 1n3g s ASN 55 Ca 0.08 -2.25 0.01 0.00 0.04 0.00 0.00 52.86 50.74 1n3g s ASN 55 Cb -0.12 -2.22 0.03 0.00 -1.54 0.00 0.00 41.25 37.40 1n3g s ASN 55 CO 0.02 -0.72 0.76 0.42 -3.04 0.00 0.00 177.10 174.54 1n3g s THR 56 N 0.91 2.80 0.49 -5.21 -4.23 0.07 -1.48 115.64 108.98 1n3g s THR 56 Ca 0.12 -0.65 0.36 0.00 -1.18 0.00 0.00 61.69 60.34 1n3g s THR 56 Cb -0.19 -3.05 0.39 0.00 1.34 0.00 0.00 72.50 70.99 1n3g s THR 56 CO -0.03 -0.03 2.21 1.55 -0.54 0.00 0.00 174.62 177.77 1n3g h PRO 57 N 0.10 0.00 -0.92 3.99 0.13 -1.96 -1.82 132.00 131.52 1n3g h PRO 57 Ca -0.42 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.24 1n3g h PRO 57 Cb 1.29 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.14 1n3g h PRO 57 CO 0.53 0.03 0.56 0.27 -0.23 0.00 0.00 178.00 179.16 1n3g n ASN 58 N -3.32 3.72 0.00 1.44 6.94 -1.26 -5.02 115.26 117.75 1n3g n ASN 58 Ca -0.02 -3.60 0.00 0.00 -0.02 0.00 0.00 54.58 50.94 1n3g n ASN 58 Cb 0.16 -0.81 0.00 0.00 -2.36 0.00 0.00 39.78 36.76 1n3g n ASN 58 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1n3g n GLY 59 N -1.07 0.58 3.76 4.83 0.00 -0.68 -4.97 105.19 107.64 1n3g n GLY 59 Ca 0.56 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.06 5.02 -0.31 1.61 1.01 -1.26 -0.75 120.40 124.66 1n3g s VAL 60 Ca 0.00 1.08 -0.06 0.00 0.00 0.00 0.00 61.98 63.00 1n3g s VAL 60 Cb 0.00 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.55 1n3g s VAL 60 CO 0.00 0.41 0.08 -0.76 0.00 0.00 0.00 175.10 174.83 1n3g s LEU 61 N -0.07 4.01 -0.47 3.92 1.43 0.37 -4.92 118.68 122.95 1n3g s LEU 61 Ca 0.28 -0.94 -0.21 0.00 -1.03 0.00 0.00 54.13 52.23 1n3g s LEU 61 Cb -0.17 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.24 1n3g s LEU 61 CO 0.14 -0.25 0.68 -0.69 0.23 0.00 0.00 176.35 176.46 1n3g s VAL 62 N 1.43 4.78 -1.05 -1.59 1.01 -1.25 -0.94 120.40 122.80 1n3g s VAL 62 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.83 1n3g s VAL 62 Cb -0.18 -4.27 0.20 0.00 0.00 0.00 0.00 36.38 32.12 1n3g s VAL 62 CO 0.02 -0.72 1.15 0.00 0.00 0.00 0.00 175.10 175.56 1n3g s ALA 63 N 2.92 4.07 -0.39 5.51 0.00 0.30 -4.69 121.76 129.48 1n3g s ALA 63 Ca 0.22 -3.35 -0.29 0.00 0.00 0.00 0.00 51.96 48.54 1n3g s ALA 63 Cb -0.15 -3.85 0.02 0.00 0.00 0.00 0.00 23.12 19.14 1n3g s ALA 63 CO 0.17 -2.58 1.15 -1.12 0.00 0.00 0.00 175.76 173.38 1n3g s SER 64 N 2.49 6.73 -0.87 0.00 0.01 -1.23 -1.30 113.70 119.53 1n3g s SER 64 Ca 0.33 0.79 -0.00 0.00 1.31 0.00 0.00 55.95 58.37 1n3g s SER 64 Cb -0.07 -2.55 0.21 0.00 0.21 0.00 0.00 66.02 63.83 1n3g s SER 64 CO -0.06 -1.10 0.75 0.61 0.41 0.00 0.00 173.24 173.85 1n3g n GLY 65 N 4.43 4.13 3.69 3.44 0.00 0.32 -4.20 105.19 117.00 1n3g n GLY 65 Ca 0.13 -2.60 -0.38 0.00 0.00 0.00 0.00 46.02 43.16 1n3g n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n3g s LYS 66 N -1.44 4.24 -0.21 1.61 2.36 -1.25 -2.30 119.74 122.74 1n3g s LYS 66 Ca 0.28 0.32 -0.31 0.00 -2.55 0.00 0.00 55.97 53.71 1n3g s LYS 66 Cb -0.06 -3.50 0.16 0.00 -1.05 0.00 0.00 37.83 33.37 1n3g s LYS 66 CO -0.13 0.02 1.18 -1.58 1.55 0.00 0.00 175.35 176.39 1n3g s HIS 67 N 1.10 -0.19 -1.18 4.03 2.46 -1.02 -4.88 115.29 115.61 1n3g s HIS 67 Ca 0.22 0.28 -0.07 0.00 0.47 0.00 0.00 55.06 55.96 1n3g s HIS 67 Cb -0.15 0.48 -0.07 0.00 -0.13 0.00 0.00 32.58 32.72 1n3g s HIS 67 CO 0.09 -0.20 2.43 -1.91 -2.47 0.00 0.00 174.74 172.68 1n3g n GLU 68 N 0.46 2.68 0.00 2.88 4.07 -1.26 -0.15 120.64 129.32 1n3g n GLU 68 Ca -0.04 -1.73 0.00 0.00 -0.06 0.00 0.00 57.16 55.33 1n3g n GLU 68 Cb 0.58 -2.58 0.00 0.00 -0.06 0.00 0.00 31.44 29.38 1n3g n GLU 68 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1n3g n ASP 69 N 3.98 0.00 0.02 4.31 9.92 -1.26 -4.97 116.55 128.54 1n3g n ASP 69 Ca 0.57 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.73 1n3g n ASP 69 Cb 0.17 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.57 1n3g n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n3g h MET 70 N 0.00 -0.14 -0.37 -1.24 -0.00 -1.99 -1.87 114.93 109.31 1n3g h MET 70 Ca 0.00 0.01 -0.14 0.00 -0.00 0.00 0.00 59.70 59.57 1n3g h MET 70 Cb 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.63 1n3g h MET 70 CO 0.00 0.33 -0.30 1.88 -0.00 0.00 0.00 176.91 178.81 1n3g h TYR 71 N -0.91 1.02 -0.22 -0.10 0.05 -1.97 -2.69 116.97 112.15 1n3g h TYR 71 Ca -0.01 -0.29 -0.04 0.00 0.05 0.00 0.00 58.73 58.44 1n3g h TYR 71 Cb 0.53 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1n3g h TYR 71 CO 0.11 1.09 -0.03 1.15 -1.05 0.00 0.00 178.16 179.42 1n3g h THR 72 N 0.66 1.16 -0.05 -2.88 2.02 -1.94 -2.59 112.91 109.29 1n3g h THR 72 Ca 0.07 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 1n3g h THR 72 Cb 0.88 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1n3g h THR 72 CO 0.08 0.21 0.02 0.00 0.37 0.00 0.00 175.52 176.19 1n3g h ALA 73 N 1.66 0.06 -0.58 6.16 0.00 -1.08 -2.74 119.26 122.73 1n3g h ALA 73 Ca 0.07 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1n3g h ALA 73 Cb 0.27 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1n3g h ALA 73 CO 0.01 -0.35 0.17 0.82 0.00 0.00 0.00 179.25 179.89 1n3g h ILE 74 N -0.09 0.71 0.26 0.00 1.08 -1.15 -1.46 117.51 116.87 1n3g h ILE 74 Ca 0.02 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1n3g h ILE 74 Cb 0.17 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 1n3g h ILE 74 CO -0.00 0.06 -0.40 0.78 -0.69 0.00 0.00 178.15 177.89 1n3g h ASN 75 N 0.32 -1.16 -0.67 1.72 2.35 -1.34 -1.29 115.58 115.51 1n3g h ASN 75 Ca 0.30 0.11 0.20 0.00 -0.55 0.00 0.00 56.30 56.35 1n3g h ASN 75 Cb 0.41 0.40 -0.03 0.00 0.05 0.00 0.00 38.32 39.15 1n3g h ASN 75 CO -0.34 -0.48 0.50 -0.33 -1.65 0.00 0.00 177.43 175.12 1n3g h GLU 76 N -0.70 0.00 -0.44 0.81 4.39 -1.23 -0.33 114.58 117.09 1n3g h GLU 76 Ca -0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1n3g h GLU 76 Cb 0.64 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1n3g h GLU 76 CO -0.13 0.00 0.22 1.25 -1.16 0.00 0.00 179.01 179.20 1n3g h LEU 77 N 0.00 0.56 -1.01 1.33 6.46 -0.15 -2.60 115.31 119.90 1n3g h LEU 77 Ca 0.32 -0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.89 1n3g h LEU 77 Cb 1.32 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 41.08 1n3g h LEU 77 CO -0.00 0.52 -0.12 -0.29 -0.62 0.00 0.00 178.44 177.92 1n3g h ILE 78 N 0.57 1.24 0.49 4.05 2.10 -0.60 -2.18 117.51 123.18 1n3g h ILE 78 Ca 0.15 -1.06 -0.01 0.00 1.08 0.00 0.00 64.86 65.01 1n3g h ILE 78 Cb 0.09 1.12 -0.02 0.00 -1.09 0.00 0.00 36.82 36.92 1n3g h ILE 78 CO -0.02 0.35 -0.40 0.78 -1.08 0.00 0.00 178.15 177.79 1n3g h ASN 79 N 0.53 -1.04 -0.74 2.19 2.35 -1.19 -1.26 115.58 116.42 1n3g h ASN 79 Ca 0.10 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1n3g h ASN 79 Cb 0.52 0.33 -0.04 0.00 0.05 0.00 0.00 38.32 39.19 1n3g h ASN 79 CO 0.03 -0.57 0.47 0.11 -1.65 0.00 0.00 177.43 175.82 1n3g h LYS 80 N -0.88 1.00 0.04 0.81 1.79 -1.46 -2.78 116.57 115.09 1n3g h LYS 80 Ca -0.05 -0.08 0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1n3g h LYS 80 Cb 0.75 -0.22 -0.05 0.00 -1.58 0.00 0.00 32.23 31.14 1n3g h LYS 80 CO -0.01 0.69 -0.34 1.25 -1.08 0.00 0.00 179.45 179.96 1n3g h LEU 81 N 1.01 -1.02 -0.41 2.94 7.12 -1.15 -0.85 115.31 122.95 1n3g h LEU 81 Ca 0.27 0.13 0.08 0.00 0.13 0.00 0.00 57.88 58.48 1n3g h LEU 81 Cb -0.07 0.40 -0.07 0.00 -0.53 0.00 0.00 40.66 40.39 1n3g h LEU 81 CO -0.05 -0.41 -0.02 -0.33 -0.13 0.00 0.00 178.44 177.49 1n3g h GLU 82 N -0.52 0.08 -0.26 1.25 3.07 -1.10 0.77 114.58 117.86 1n3g h GLU 82 Ca 0.05 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.95 1n3g h GLU 82 Cb 0.59 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.44 1n3g h GLU 82 CO -0.25 0.05 -0.02 -0.09 -1.40 0.00 0.00 179.01 177.30 1n3g h ARG 83 N 0.08 0.05 -0.03 2.33 2.43 -1.18 0.40 114.38 118.46 1n3g h ARG 83 Ca 0.20 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 1n3g h ARG 83 Cb 0.29 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1n3g h ARG 83 CO -0.36 0.03 -0.55 0.37 -1.51 0.00 0.00 179.97 177.96 1n3g h GLN 84 N 0.05 0.08 0.27 0.20 -0.00 -0.54 -2.43 115.11 112.74 1n3g h GLN 84 Ca 0.12 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.71 1n3g h GLN 84 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.66 1n3g h GLN 84 CO -0.23 0.60 -0.13 1.25 0.00 0.00 0.00 178.83 180.32 1n3g h LEU 85 N 0.06 -0.31 -1.79 -2.39 6.46 0.14 -2.66 115.31 114.81 1n3g h LEU 85 Ca -0.00 0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.87 1n3g h LEU 85 Cb 0.98 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 1n3g h LEU 85 CO 0.08 0.02 0.35 -0.55 -0.62 0.00 0.00 178.44 177.72 1n3g h ASN 86 N -0.84 0.21 -0.25 1.25 -0.00 -0.33 0.78 115.58 116.39 1n3g h ASN 86 Ca -0.04 0.01 -0.11 0.00 -0.00 0.00 0.00 56.30 56.16 1n3g h ASN 86 Cb 0.28 -0.04 -0.00 0.00 -0.00 0.00 0.00 38.32 38.56 1n3g h ASN 86 CO 0.06 0.13 -0.26 0.07 -0.00 0.00 0.00 177.43 177.42 1n3g h LYS 87 N 0.23 0.62 0.00 4.14 5.09 -1.52 0.46 116.57 125.59 1n3g h LYS 87 Ca 0.24 -0.33 -0.05 0.00 0.09 0.00 0.00 60.65 60.60 1n3g h LYS 87 Cb 0.64 0.02 -0.01 0.00 0.10 0.00 0.00 32.23 32.98 1n3g h LYS 87 CO -0.05 0.93 -0.24 1.25 -2.09 0.00 0.00 179.45 179.26 1n3g h LEU 88 N 0.33 0.00 0.15 7.07 6.46 -0.96 -3.26 115.31 125.09 1n3g h LEU 88 Ca 0.04 0.00 -0.36 0.00 -0.12 0.00 0.00 57.88 57.44 1n3g h LEU 88 Cb 0.83 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1n3g h LEU 88 CO 0.06 0.24 -1.91 -0.61 -0.62 0.00 0.00 178.44 175.61 1n3g h GLN 89 N 0.00 0.31 -4.46 1.25 4.15 -0.78 -3.40 115.11 112.18 1n3g h GLN 89 Ca -0.00 -0.53 -0.65 0.00 0.77 0.00 0.00 58.65 58.24 1n3g h GLN 89 Cb 0.92 0.20 0.04 0.00 0.21 0.00 0.00 27.48 28.85 1n3g h GLN 89 CO 0.03 1.25 2.34 1.58 -1.93 0.00 0.00 178.83 182.11 1n3g n HIS 90 N -3.53 2.03 0.00 3.99 -0.00 0.16 -3.24 115.22 114.63 1n3g n HIS 90 Ca -0.29 -1.90 0.00 0.00 0.46 0.00 0.00 57.72 55.99 1n3g n HIS 90 Cb 1.05 -1.80 0.00 0.00 -0.12 0.00 0.00 29.99 29.13 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 6.96 0.00 0.00 1.57 5.02 -1.26 -4.93 118.16 125.52 1n3g n LYS 91 Ca 0.50 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1n3g n LYS 91 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 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 0.00 0.82 2.43 0.72 0.00 -1.20 -5.06 105.19 102.91 1n3g n GLY 92 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1n3g n GLY 92 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n3g n GLU 93 N 0.00 -1.26 -3.53 1.61 4.07 -1.26 -5.06 120.64 115.20 1n3g n GLU 93 Ca 0.00 1.39 -0.10 0.00 -0.06 0.00 0.00 57.16 58.38 1n3g n GLU 93 Cb 0.00 -4.24 -0.04 0.00 -0.06 0.00 0.00 31.44 27.10 1n3g n GLU 93 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1n3g s ALA 94 N -2.44 -1.85 -0.36 4.31 0.00 -1.26 -5.06 121.76 115.09 1n3g s ALA 94 Ca 0.10 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 1n3g s ALA 94 Cb -0.03 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1n3g s ALA 94 CO 0.49 -0.50 0.35 0.54 0.00 0.00 0.00 175.76 176.64 1n3g n ARG 95 N 0.27 -2.64 -1.57 0.00 5.12 -1.26 -4.99 116.66 111.59 1n3g n ARG 95 Ca -0.11 2.24 -0.29 0.00 -1.93 0.00 0.00 57.85 57.76 1n3g n ARG 95 Cb 0.60 -4.99 0.11 0.00 -1.16 0.00 0.00 32.46 27.01 1n3g n ARG 95 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1n3g s ARG 96 N -2.14 1.70 -1.08 5.56 0.52 -1.26 -4.94 118.95 117.31 1n3g s ARG 96 Ca 0.15 0.47 -0.21 0.00 -0.52 0.00 0.00 55.73 55.62 1n3g s ARG 96 Cb -0.04 -1.89 0.06 0.00 0.52 0.00 0.00 34.95 33.61 1n3g s ARG 96 CO 0.74 -1.85 1.49 0.00 0.02 0.00 0.00 175.30 175.70 1n3g s ALA 97 N -3.23 2.92 -0.18 2.13 0.00 -1.26 -4.73 121.76 117.42 1n3g s ALA 97 Ca 0.62 -2.46 0.17 0.00 0.00 0.00 0.00 51.96 50.28 1n3g s ALA 97 Cb -0.14 -4.51 0.51 0.00 0.00 0.00 0.00 23.12 18.98 1n3g s ALA 97 CO 0.54 -3.49 1.40 0.00 0.00 0.00 0.00 175.76 174.21 1n3g n ALA 98 N 8.54 2.97 0.27 0.00 0.00 -1.26 -4.59 120.51 126.44 1n3g n ALA 98 Ca 0.36 -2.36 0.15 0.00 0.00 0.00 0.00 53.44 51.59 1n3g n ALA 98 Cb 0.50 -0.69 0.76 0.00 0.00 0.00 0.00 19.45 20.02 1n3g n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n3g h THR 99 N 1.63 0.33 -0.06 0.00 1.03 -2.03 -3.36 112.91 110.45 1n3g h THR 99 Ca 0.01 -0.52 -0.60 0.00 -0.01 0.00 0.00 66.41 65.29 1n3g h THR 99 Cb 1.42 1.39 0.05 0.00 -1.07 0.00 0.00 68.15 69.94 1n3g h THR 99 CO 0.21 0.08 2.01 -1.20 -0.01 0.00 0.00 175.52 176.62 1n3g n SER 100 N -3.37 2.40 0.01 0.00 7.64 -1.26 -4.52 113.62 114.52 1n3g n SER 100 Ca -0.01 -2.66 -0.21 0.00 1.01 0.00 0.00 58.87 57.00 1n3g n SER 100 Cb 0.25 -1.13 -0.14 0.00 -1.01 0.00 0.00 64.21 62.19 1n3g n SER 100 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1n3g h VAL 101 N 4.77 1.08 -1.40 0.44 3.04 -1.99 -3.38 116.25 118.81 1n3g h VAL 101 Ca 0.37 -2.42 -0.76 0.00 -1.01 0.00 0.00 66.70 62.89 1n3g h VAL 101 Cb 0.71 2.77 -0.16 0.00 -2.01 0.00 0.00 31.29 32.60 1n3g h VAL 101 CO 1.87 0.71 2.11 0.29 -1.01 0.00 0.00 177.57 181.54 1n3g n LYS 102 N -3.94 4.75 0.00 4.17 4.76 -1.26 -4.32 118.16 122.32 1n3g n LYS 102 Ca -0.24 -3.72 0.00 0.00 -2.87 0.00 0.00 58.31 51.48 1n3g n LYS 102 Cb 0.90 -2.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 1n3g n LYS 102 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1n3g n ASP 103 N 1.42 0.96 -4.59 4.39 2.03 -1.26 -5.05 116.55 114.45 1n3g n ASP 103 Ca 0.58 0.00 -0.51 0.00 0.52 0.00 0.00 54.79 55.39 1n3g n ASP 103 Cb 0.25 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.60 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 -2.80 -0.84 -1.26 -1.67 0.00 -1.26 -4.85 120.51 107.82 1n3g n ALA 104 Ca 0.00 0.49 -0.28 0.00 0.00 0.00 0.00 53.44 53.65 1n3g n ALA 104 Cb 0.45 -2.06 0.05 0.00 0.00 0.00 0.00 19.45 17.88 1n3g n ALA 104 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1n3g n ASN 105 N 2.34 7.13 0.02 0.00 0.23 -1.26 -4.38 115.26 119.33 1n3g n ASN 105 Ca 0.17 -3.48 0.13 0.00 -0.53 0.00 0.00 54.58 50.87 1n3g n ASN 105 Cb 0.21 -1.04 0.33 0.00 -2.08 0.00 0.00 39.78 37.20 1n3g n ASN 105 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1n3g n PHE 106 N -0.24 0.16 -2.70 -2.53 3.72 -1.26 -4.19 117.46 110.43 1n3g n PHE 106 Ca 0.49 0.05 -0.37 0.00 -0.05 0.00 0.00 57.45 57.56 1n3g n PHE 106 Cb 0.57 -0.43 0.01 0.00 -0.94 0.00 0.00 39.48 38.69 1n3g n PHE 106 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1n3g n VAL 107 N -1.67 5.31 0.00 -4.37 0.24 -1.26 -5.02 118.33 111.56 1n3g n VAL 107 Ca 0.05 -5.85 0.00 0.00 -2.04 0.00 0.00 64.34 56.50 1n3g n VAL 107 Cb 0.36 -1.50 0.00 0.00 -1.47 0.00 0.00 33.84 31.23 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 -0.12 0.00 -1.71 7.34 0.00 -1.26 -4.75 120.64 120.14 1n3g n GLU 108 Ca 0.43 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 57.27 1n3g n GLU 108 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.70 1n3g n GLU 108 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1n3g n GLU 109 N 0.00 3.06 -1.11 3.44 0.00 -1.26 -4.96 120.64 119.81 1n3g n GLU 109 Ca 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 57.16 54.30 1n3g n GLU 109 Cb 0.00 -2.28 -0.00 0.00 0.00 0.00 0.00 31.44 29.16 1n3g n GLU 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1n3g n VAL 110 N 0.79 -2.02 -1.45 3.84 0.31 -1.26 -4.46 118.33 114.08 1n3g n VAL 110 Ca 0.52 1.02 -0.39 0.00 -0.01 0.00 0.00 64.34 65.48 1n3g n VAL 110 Cb 0.43 -1.69 -0.02 0.00 -0.91 0.00 0.00 33.84 31.64 1n3g n VAL 110 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1n3g n GLU 111 N -2.32 3.86 -1.35 5.55 1.02 -1.26 -4.80 120.64 121.34 1n3g n GLU 111 Ca -0.00 -2.46 -0.38 0.00 -0.02 0.00 0.00 57.16 54.30 1n3g n GLU 111 Cb 0.35 -2.78 -0.02 0.00 -0.02 0.00 0.00 31.44 28.96 1n3g n GLU 111 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1n3g n GLU 112 N 3.28 3.27 0.00 3.49 2.13 -1.26 -5.33 120.64 126.22 1n3g n GLU 112 Ca 0.75 -2.22 0.04 0.00 0.66 0.00 0.00 57.16 56.39 1n3g n GLU 112 Cb 0.24 -2.89 0.22 0.00 0.27 0.00 0.00 31.44 29.27 1n3g n GLU 112 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81