#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 0.00 -5.42 3.17 1.35 -1.76 -3.49 112.91 106.76 1n3g h THR 2 Ca 0.00 -0.65 -0.04 0.00 -0.55 0.00 0.00 66.41 65.17 1n3g h THR 2 Cb 0.00 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1n3g h THR 2 CO 0.00 0.00 -0.60 0.80 -0.25 0.00 0.00 175.52 175.47 1n3g n MET 3 N -2.63 -2.37 -3.53 4.72 0.00 -1.26 -4.96 117.12 107.09 1n3g n MET 3 Ca 0.04 2.07 -0.42 0.00 -0.00 0.00 0.00 57.70 59.40 1n3g n MET 3 Cb 0.44 -5.26 -0.10 0.00 0.00 0.00 0.00 33.22 28.30 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 -2.44 5.88 -0.35 6.12 0.02 0.23 -5.02 114.94 119.37 1n3g s ASN 4 Ca 0.25 -1.15 -0.04 0.00 -1.02 0.00 0.00 52.86 50.90 1n3g s ASN 4 Cb -0.06 -2.08 0.06 0.00 0.02 0.00 0.00 41.25 39.19 1n3g s ASN 4 CO 0.78 -0.49 0.11 -0.63 0.02 0.00 0.00 177.10 176.89 1n3g s ILE 5 N 1.57 3.42 -0.30 0.60 1.01 -1.26 0.10 121.20 126.34 1n3g s ILE 5 Ca 0.03 -1.48 -0.00 0.00 0.00 0.00 0.00 60.65 59.20 1n3g s ILE 5 Cb -0.21 -3.06 0.09 0.00 0.01 0.00 0.00 42.46 39.29 1n3g s ILE 5 CO 0.06 -0.31 0.08 0.42 0.00 0.00 0.00 174.94 175.19 1n3g s THR 6 N 1.28 1.08 0.42 2.92 -4.23 -0.65 -4.97 115.64 111.50 1n3g s THR 6 Ca -0.00 -1.45 -0.03 0.00 -1.18 0.00 0.00 61.69 59.03 1n3g s THR 6 Cb -0.21 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 1n3g s THR 6 CO -0.00 -0.59 0.68 -0.44 -0.54 0.00 0.00 174.62 173.73 1n3g s SER 7 N 1.52 6.27 0.00 3.99 0.01 -1.26 -4.35 113.70 119.88 1n3g s SER 7 Ca 0.08 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1n3g s SER 7 Cb -0.18 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1n3g s SER 7 CO -0.20 -0.46 0.01 0.29 0.41 0.00 0.00 173.24 173.29 1n3g n LYS 8 N -2.06 0.00 -0.08 12.44 5.02 -1.26 -4.80 118.16 127.43 1n3g n LYS 8 Ca -0.02 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.22 1n3g n LYS 8 Cb 0.56 -0.18 -0.15 0.00 -0.02 0.00 0.00 35.03 35.23 1n3g n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n3g n GLN 9 N -0.05 0.82 -2.85 1.97 0.00 -1.26 -4.80 117.38 111.21 1n3g n GLN 9 Ca 0.00 -0.04 -0.43 0.00 0.00 0.00 0.00 57.00 56.52 1n3g n GLN 9 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 30.24 28.72 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 -2.66 3.35 1.20 2.61 0.00 -1.26 -5.02 119.30 117.53 1n3g s MET 10 Ca -0.09 -1.22 -0.18 0.00 0.00 0.00 0.00 55.69 54.19 1n3g s MET 10 Cb 0.07 -4.61 0.29 0.00 0.00 0.00 0.00 34.83 30.58 1n3g s MET 10 CO 0.80 -1.84 0.65 -0.85 0.00 0.00 0.00 175.02 173.78 1n3g n GLU 11 N 7.38 -3.37 -3.24 4.11 0.28 -1.26 -4.67 120.64 119.87 1n3g n GLU 11 Ca 0.11 -1.09 -0.43 0.00 -0.16 0.00 0.00 57.16 55.59 1n3g n GLU 11 Cb 0.47 -1.62 -0.08 0.00 1.43 0.00 0.00 31.44 31.65 1n3g n GLU 11 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1n3g s ILE 12 N -2.00 4.99 0.57 3.84 -1.09 -1.26 -5.01 121.20 121.24 1n3g s ILE 12 Ca 0.50 -0.07 -0.15 0.00 -2.23 0.00 0.00 60.65 58.70 1n3g s ILE 12 Cb -0.09 -4.08 -0.06 0.00 -1.58 0.00 0.00 42.46 36.66 1n3g s ILE 12 CO 0.42 -0.44 1.01 0.42 -1.23 0.00 0.00 174.94 175.13 1n3g s THR 13 N 2.40 4.39 0.28 2.92 -4.23 -1.26 -4.79 115.64 115.36 1n3g s THR 13 Ca 0.17 1.03 0.01 0.00 -1.18 0.00 0.00 61.69 61.72 1n3g s THR 13 Cb -0.16 -3.66 0.28 0.00 1.34 0.00 0.00 72.50 70.29 1n3g s THR 13 CO 0.15 -0.77 1.82 1.55 -0.54 0.00 0.00 174.62 176.83 1n3g h PRO 14 N 0.43 0.88 -0.09 3.99 0.13 -1.98 0.44 132.00 135.80 1n3g h PRO 14 Ca -0.46 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1n3g h PRO 14 Cb 1.19 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1n3g h PRO 14 CO 0.60 0.58 -0.04 0.00 -0.23 0.00 0.00 178.00 178.92 1n3g h ALA 15 N 1.55 0.13 -0.24 -0.56 0.00 -2.00 -2.69 119.26 115.45 1n3g h ALA 15 Ca 0.50 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1n3g h ALA 15 Cb 0.55 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1n3g h ALA 15 CO -0.29 -0.11 -0.06 0.82 0.00 0.00 0.00 179.25 179.61 1n3g h ILE 16 N -0.17 1.28 -0.61 0.00 2.04 -1.81 -2.17 117.51 116.07 1n3g h ILE 16 Ca 0.02 -1.06 0.10 0.00 1.00 0.00 0.00 64.86 64.92 1n3g h ILE 16 Cb 0.48 1.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.98 1n3g h ILE 16 CO 0.01 0.33 0.21 0.08 0.00 0.00 0.00 178.15 178.78 1n3g h ARG 17 N 0.19 0.37 -0.09 2.37 0.11 -0.19 0.43 114.38 117.57 1n3g h ARG 17 Ca 0.06 -0.02 -0.08 0.00 0.10 0.00 0.00 59.98 60.03 1n3g h ARG 17 Cb 0.52 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.51 1n3g h ARG 17 CO 0.02 0.24 -0.32 1.96 0.10 0.00 0.00 179.97 181.97 1n3g h GLN 18 N 0.38 0.18 0.48 0.08 1.08 -1.44 -1.01 115.11 114.86 1n3g h GLN 18 Ca 0.31 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.42 1n3g h GLN 18 Cb 0.40 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1n3g h GLN 18 CO -0.33 0.49 -0.23 1.25 -0.95 0.00 0.00 178.83 179.06 1n3g h HIS 19 N 0.16 -0.59 -0.65 2.96 2.76 -0.28 -2.19 115.15 117.31 1n3g h HIS 19 Ca 0.02 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1n3g h HIS 19 Cb 0.66 0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.77 1n3g h HIS 19 CO 0.01 -0.37 0.41 -0.24 -1.30 0.00 0.00 177.93 176.44 1n3g h VAL 20 N -0.73 1.10 -0.41 5.26 3.04 -1.29 -2.57 116.25 120.65 1n3g h VAL 20 Ca -0.07 -0.28 0.09 0.00 -1.01 0.00 0.00 66.70 65.43 1n3g h VAL 20 Cb 0.49 0.22 -0.09 0.00 -2.01 0.00 0.00 31.29 29.90 1n3g h VAL 20 CO 0.11 0.15 -0.19 0.00 -1.01 0.00 0.00 177.57 176.62 1n3g h ALA 21 N 1.27 0.11 -0.94 3.17 0.00 -1.22 0.41 119.26 122.06 1n3g h ALA 21 Ca 0.26 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.32 1n3g h ALA 21 Cb -0.01 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1n3g h ALA 21 CO -0.09 -0.56 0.62 -0.44 0.00 0.00 0.00 179.25 178.78 1n3g h ASP 22 N -0.12 1.08 -0.16 0.00 3.32 -1.12 0.12 116.42 119.55 1n3g h ASP 22 Ca 0.20 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1n3g h ASP 22 Cb 0.43 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1n3g h ASP 22 CO -0.49 0.79 -0.01 0.03 -1.72 0.00 0.00 179.24 177.84 1n3g h ARG 23 N 1.28 0.29 -0.28 3.56 2.47 -0.68 -2.75 114.38 118.28 1n3g h ARG 23 Ca 0.34 -0.10 -0.07 0.00 -1.26 0.00 0.00 59.98 58.90 1n3g h ARG 23 Cb -0.14 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.14 1n3g h ARG 23 CO -0.07 0.53 -0.12 1.25 0.56 0.00 0.00 179.97 182.12 1n3g h LEU 24 N 0.03 0.44 0.71 3.04 7.12 0.05 -1.08 115.31 125.62 1n3g h LEU 24 Ca 0.04 -0.11 -0.03 0.00 0.13 0.00 0.00 57.88 57.91 1n3g h LEU 24 Cb 0.40 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.42 1n3g h LEU 24 CO 0.01 0.60 -0.37 0.00 -0.13 0.00 0.00 178.44 178.55 1n3g h ALA 25 N 1.45 -1.00 -0.62 1.25 0.00 -0.64 -0.69 119.26 119.00 1n3g h ALA 25 Ca 0.08 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1n3g h ALA 25 Cb 0.47 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1n3g h ALA 25 CO 0.03 -1.07 0.04 -0.22 0.00 0.00 0.00 179.25 178.03 1n3g h LYS 26 N -0.99 1.07 0.00 0.00 3.11 -1.46 -2.37 116.57 115.93 1n3g h LYS 26 Ca -0.09 -0.32 0.00 0.00 -2.81 0.00 0.00 60.65 57.43 1n3g h LYS 26 Cb 0.77 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.90 1n3g h LYS 26 CO 0.14 1.02 0.00 -0.11 -2.81 0.00 0.00 179.45 177.69 1n3g n LEU 27 N -4.21 0.57 0.26 5.20 0.00 -0.41 -2.52 117.00 115.88 1n3g n LEU 27 Ca 0.03 0.69 0.17 0.00 0.00 0.00 0.00 56.01 56.90 1n3g n LEU 27 Cb 0.32 -0.66 0.92 0.00 0.00 0.00 0.00 43.42 44.00 1n3g n LEU 27 CO 0.44 -0.69 1.02 -0.08 0.00 0.00 0.00 177.39 178.08 1n3g h GLU 28 N 0.00 0.00 -0.38 1.96 4.57 -0.56 -0.89 114.58 119.29 1n3g h GLU 28 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1n3g h GLU 28 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1n3g h GLU 28 CO 0.00 0.00 0.00 1.17 -1.18 0.00 0.00 179.01 179.00 1n3g n LYS 29 N -2.70 3.38 -1.38 1.92 4.81 -1.05 -4.84 118.16 118.30 1n3g n LYS 29 Ca -0.02 -2.80 -0.31 0.00 -0.87 0.00 0.00 58.31 54.31 1n3g n LYS 29 Cb 0.06 -1.85 0.08 0.00 0.02 0.00 0.00 35.03 33.35 1n3g n LYS 29 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1n3g s TRP 30 N -2.44 2.77 -0.78 5.64 0.52 -0.34 -4.85 118.94 119.47 1n3g s TRP 30 Ca 0.43 1.46 -0.16 0.00 0.02 0.00 0.00 56.10 57.86 1n3g s TRP 30 Cb 0.32 -3.00 -0.12 0.00 -1.15 0.00 0.00 33.47 29.53 1n3g s TRP 30 CO 0.13 -1.63 1.95 1.04 0.02 0.00 0.00 176.95 178.46 1n3g n GLN 31 N -3.40 1.62 0.00 4.98 3.00 -1.26 -4.07 117.38 118.24 1n3g n GLN 31 Ca 0.08 -1.64 0.00 0.00 -0.01 0.00 0.00 57.00 55.43 1n3g n GLN 31 Cb 0.53 -2.71 0.00 0.00 0.00 0.00 0.00 30.24 28.06 1n3g n GLN 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1n3g n THR 32 N 5.37 0.00 0.00 5.09 -1.04 -1.26 -4.90 114.28 117.54 1n3g n THR 32 Ca 0.46 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 1n3g n THR 32 Cb 0.30 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 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 -0.17 0.00 -0.96 -1.42 8.25 -1.26 -4.71 115.22 114.94 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 -1.01 -0.09 2.41 4.77 -1.26 -4.55 117.00 117.27 1n3g n LEU 34 Ca 0.00 0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 1n3g n LEU 34 Cb 0.00 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 1n3g n LEU 34 CO 0.00 -0.51 -0.64 -0.38 -1.33 0.00 0.00 177.39 174.53 1n3g n ILE 35 N 1.03 1.48 -3.48 -0.08 5.41 -1.05 -2.09 119.36 120.58 1n3g n ILE 35 Ca 0.00 0.12 -0.35 0.00 1.00 0.00 0.00 62.75 63.52 1n3g n ILE 35 Cb 0.06 -2.32 -0.05 0.00 -0.71 0.00 0.00 39.64 36.61 1n3g n ILE 35 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1n3g n ASN 36 N -4.49 4.51 -4.56 4.38 3.02 -1.25 -2.40 115.26 114.47 1n3g n ASN 36 Ca -0.15 -3.26 -0.41 0.00 -0.03 0.00 0.00 54.58 50.73 1n3g n ASN 36 Cb 0.48 -1.00 -0.03 0.00 -0.61 0.00 0.00 39.78 38.62 1n3g n ASN 36 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1n3g s PRO 37 N -1.91 3.12 -0.53 3.52 0.04 -1.26 -2.14 135.00 135.84 1n3g s PRO 37 Ca 0.31 0.09 -0.18 0.00 0.04 0.00 0.00 61.00 61.26 1n3g s PRO 37 Cb 0.00 -4.20 0.08 0.00 0.04 0.00 0.00 34.50 30.42 1n3g s PRO 37 CO -0.06 -2.20 0.61 -1.58 0.04 0.00 0.00 177.00 173.81 1n3g s HIS 38 N 6.42 3.07 -0.41 0.56 2.46 0.17 -0.60 115.29 126.97 1n3g s HIS 38 Ca 0.45 -0.75 -0.15 0.00 0.47 0.00 0.00 55.06 55.08 1n3g s HIS 38 Cb -0.09 -3.63 0.02 0.00 -0.13 0.00 0.00 32.58 28.74 1n3g s HIS 38 CO 0.19 -1.07 0.31 0.42 -2.47 0.00 0.00 174.74 172.11 1n3g s ILE 39 N 2.45 5.25 -0.38 0.89 -1.09 0.29 0.12 121.20 128.73 1n3g s ILE 39 Ca 0.12 -0.62 -0.04 0.00 -2.23 0.00 0.00 60.65 57.87 1n3g s ILE 39 Cb -0.22 -3.93 0.08 0.00 -1.58 0.00 0.00 42.46 36.81 1n3g s ILE 39 CO 0.09 -0.31 0.15 -0.63 -1.23 0.00 0.00 174.94 173.01 1n3g s ILE 40 N 1.71 3.43 -0.39 2.92 1.09 0.13 -1.64 121.20 128.45 1n3g s ILE 40 Ca 0.06 -1.68 -0.08 0.00 -1.10 0.00 0.00 60.65 57.85 1n3g s ILE 40 Cb -0.19 -3.17 0.07 0.00 -1.06 0.00 0.00 42.46 38.11 1n3g s ILE 40 CO 0.10 -0.46 0.20 -0.22 -0.10 0.00 0.00 174.94 174.47 1n3g s LEU 41 N 1.25 4.90 0.34 2.97 0.20 -1.26 0.32 118.68 127.40 1n3g s LEU 41 Ca 0.03 -1.45 0.08 0.00 0.69 0.00 0.00 54.13 53.48 1n3g s LEU 41 Cb -0.22 -1.93 -0.05 0.00 -0.43 0.00 0.00 46.19 43.57 1n3g s LEU 41 CO -0.02 -0.47 0.10 -0.44 -0.29 0.00 0.00 176.35 175.23 1n3g s SER 42 N 1.87 4.53 -0.26 3.68 0.01 -0.23 -4.44 113.70 118.85 1n3g s SER 42 Ca 0.02 -0.84 -0.05 0.00 1.31 0.00 0.00 55.95 56.39 1n3g s SER 42 Cb -0.22 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.34 1n3g s SER 42 CO 0.02 -0.27 0.03 -0.75 0.41 0.00 0.00 173.24 172.67 1n3g s LYS 43 N -3.80 3.23 0.05 12.44 2.36 -1.26 -0.09 119.74 132.67 1n3g s LYS 43 Ca 0.37 -0.74 0.04 0.00 -2.55 0.00 0.00 55.97 53.08 1n3g s LYS 43 Cb -0.02 -3.21 -0.04 0.00 -1.05 0.00 0.00 37.83 33.51 1n3g s LYS 43 CO 0.22 -0.33 -0.03 -1.21 1.55 0.00 0.00 175.35 175.55 1n3g s GLU 44 N 1.49 2.55 0.21 4.03 2.02 -0.48 -4.90 118.70 123.62 1n3g s GLU 44 Ca 0.04 -0.78 -0.21 0.00 0.02 0.00 0.00 54.97 54.04 1n3g s GLU 44 Cb -0.16 -2.53 0.16 0.00 0.10 0.00 0.00 34.13 31.70 1n3g s GLU 44 CO 0.00 0.57 1.55 -1.35 0.02 0.00 0.00 175.26 176.06 1n3g h PRO 45 N 3.99 -0.03 -1.62 0.39 0.10 -2.00 -0.68 132.00 132.16 1n3g h PRO 45 Ca -0.48 0.00 -0.66 0.00 0.10 0.00 0.00 66.00 64.96 1n3g h PRO 45 Cb 1.17 0.01 -0.25 0.00 0.10 0.00 0.00 31.00 32.02 1n3g h PRO 45 CO 0.56 -0.02 0.86 0.94 0.10 0.00 0.00 178.00 180.44 1n3g n GLN 46 N -5.42 2.60 0.00 1.05 -0.06 -1.26 -4.97 117.38 109.32 1n3g n GLN 46 Ca 0.08 -3.11 0.00 0.00 -2.00 0.00 0.00 57.00 51.97 1n3g n GLN 46 Cb 0.37 -2.20 0.00 0.00 -4.06 0.00 0.00 30.24 24.35 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 -0.40 3.42 3.78 1.69 0.00 -0.26 -4.73 105.19 108.69 1n3g n GLY 47 Ca 0.54 -1.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 1n3g n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n3g s PHE 48 N -2.63 3.19 -0.55 1.61 0.40 0.31 -1.39 117.98 118.93 1n3g s PHE 48 Ca 0.00 1.62 -0.05 0.00 -0.60 0.00 0.00 56.93 57.90 1n3g s PHE 48 Cb 0.00 -3.14 0.14 0.00 0.51 0.00 0.00 43.02 40.53 1n3g s PHE 48 CO 0.00 -0.74 0.38 0.08 0.70 0.00 0.00 175.22 175.64 1n3g s VAL 49 N -1.69 3.83 -0.77 -0.44 1.01 0.88 -2.47 120.40 120.75 1n3g s VAL 49 Ca 0.60 -2.44 -0.19 0.00 0.00 0.00 0.00 61.98 59.94 1n3g s VAL 49 Cb -0.22 -3.52 0.12 0.00 0.00 0.00 0.00 36.38 32.76 1n3g s VAL 49 CO 0.27 -0.82 0.94 0.00 0.00 0.00 0.00 175.10 175.50 1n3g s ALA 50 N 0.57 3.39 -0.65 5.51 0.00 -0.95 -1.07 121.76 128.57 1n3g s ALA 50 Ca 0.12 -2.46 -0.11 0.00 0.00 0.00 0.00 51.96 49.52 1n3g s ALA 50 Cb -0.21 -3.82 0.17 0.00 0.00 0.00 0.00 23.12 19.26 1n3g s ALA 50 CO -0.04 -2.70 0.55 -0.51 0.00 0.00 0.00 175.76 173.06 1n3g s ASP 51 N 3.50 6.07 -0.48 0.00 1.01 0.15 -1.90 116.67 125.02 1n3g s ASP 51 Ca 0.23 -2.40 -0.15 0.00 0.71 0.00 0.00 52.55 50.95 1n3g s ASP 51 Cb -0.13 -2.08 0.09 0.00 1.01 0.00 0.00 42.92 41.81 1n3g s ASP 51 CO -0.01 -0.60 0.40 0.00 0.21 0.00 0.00 175.17 175.17 1n3g s ALA 52 N 0.63 3.54 -0.49 5.23 0.00 -0.34 0.18 121.76 130.52 1n3g s ALA 52 Ca 0.12 -2.24 -0.13 0.00 0.00 0.00 0.00 51.96 49.72 1n3g s ALA 52 Cb -0.19 -3.05 0.11 0.00 0.00 0.00 0.00 23.12 19.98 1n3g s ALA 52 CO -0.04 -1.80 0.39 0.99 0.00 0.00 0.00 175.76 175.31 1n3g s THR 53 N 1.59 4.73 -0.12 0.00 2.01 0.32 0.79 115.64 124.96 1n3g s THR 53 Ca 0.04 -1.50 -0.08 0.00 0.31 0.00 0.00 61.69 60.46 1n3g s THR 53 Cb -0.26 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1n3g s THR 53 CO 0.05 -0.73 0.15 -0.63 -0.69 0.00 0.00 174.62 172.77 1n3g s ILE 54 N 1.50 5.48 -0.74 1.82 1.01 -0.25 0.46 121.20 130.48 1n3g s ILE 54 Ca 0.04 0.24 -0.19 0.00 0.00 0.00 0.00 60.65 60.74 1n3g s ILE 54 Cb -0.27 -3.42 0.13 0.00 0.01 0.00 0.00 42.46 38.91 1n3g s ILE 54 CO 0.02 0.60 0.88 0.21 0.00 0.00 0.00 174.94 176.65 1n3g s ASN 55 N -0.88 6.40 0.22 3.58 3.04 -0.91 0.26 114.94 126.65 1n3g s ASN 55 Ca 0.15 -1.75 -0.07 0.00 0.04 0.00 0.00 52.86 51.22 1n3g s ASN 55 Cb -0.12 -2.33 -0.06 0.00 -1.54 0.00 0.00 41.25 37.19 1n3g s ASN 55 CO 0.04 -1.06 0.50 0.28 -3.04 0.00 0.00 177.10 173.82 1n3g s THR 56 N 2.48 5.01 0.64 -5.21 -1.32 -0.62 -2.53 115.64 114.09 1n3g s THR 56 Ca 0.20 0.28 0.30 0.00 -1.21 0.00 0.00 61.69 61.26 1n3g s THR 56 Cb -0.15 -3.64 0.33 0.00 -1.51 0.00 0.00 72.50 67.53 1n3g s THR 56 CO -0.00 -0.09 1.95 1.55 -2.21 0.00 0.00 174.62 175.82 1n3g h PRO 57 N 2.46 0.00 0.00 7.08 0.13 -1.96 0.25 132.00 139.97 1n3g h PRO 57 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1n3g h PRO 57 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1n3g h PRO 57 CO 0.70 0.00 -1.27 -1.71 -0.23 0.00 0.00 178.00 175.49 1n3g n ASN 58 N -3.23 0.73 0.00 1.44 5.15 -1.26 -5.05 115.26 113.04 1n3g n ASN 58 Ca 0.01 0.29 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1n3g n ASN 58 Cb 0.45 0.58 0.00 0.00 -0.53 0.00 0.00 39.78 40.27 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 1.26 -0.51 3.05 8.20 0.00 0.88 -5.12 105.19 112.95 1n3g n GLY 59 Ca -0.04 0.43 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 -0.49 -0.65 1.61 1.01 -1.26 -1.58 120.40 119.03 1n3g s VAL 60 Ca 0.00 0.19 -0.23 0.00 0.00 0.00 0.00 61.98 61.95 1n3g s VAL 60 Cb 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 36.38 35.89 1n3g s VAL 60 CO 0.00 0.06 0.96 -0.76 0.00 0.00 0.00 175.10 175.37 1n3g s LEU 61 N 2.48 4.35 -0.48 3.92 1.43 0.14 -4.86 118.68 125.66 1n3g s LEU 61 Ca 0.02 -0.94 -0.20 0.00 -1.03 0.00 0.00 54.13 51.98 1n3g s LEU 61 Cb -0.13 -2.45 0.04 0.00 0.03 0.00 0.00 46.19 43.69 1n3g s LEU 61 CO -0.11 -1.43 0.63 -0.69 0.23 0.00 0.00 176.35 174.98 1n3g s VAL 62 N 4.07 4.86 -0.45 -1.59 1.01 -1.25 -1.08 120.40 125.95 1n3g s VAL 62 Ca 0.23 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 1n3g s VAL 62 Cb -0.16 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 31.99 1n3g s VAL 62 CO 0.11 -0.72 0.60 0.00 0.00 0.00 0.00 175.10 175.08 1n3g s ALA 63 N 2.70 3.37 -0.27 5.51 0.00 0.24 -4.79 121.76 128.52 1n3g s ALA 63 Ca 0.18 -1.40 -0.08 0.00 0.00 0.00 0.00 51.96 50.66 1n3g s ALA 63 Cb -0.17 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1n3g s ALA 63 CO 0.14 -1.81 0.09 -1.12 0.00 0.00 0.00 175.76 173.07 1n3g s SER 64 N 2.13 5.27 -0.28 0.00 0.01 -1.25 -1.20 113.70 118.38 1n3g s SER 64 Ca 0.19 -0.29 -0.02 0.00 1.31 0.00 0.00 55.95 57.13 1n3g s SER 64 Cb -0.16 -1.95 0.09 0.00 0.21 0.00 0.00 66.02 64.21 1n3g s SER 64 CO 0.16 -0.08 0.10 -0.83 0.41 0.00 0.00 173.24 173.00 1n3g s GLY 65 N 1.62 0.79 -0.18 3.44 0.00 -0.80 -4.66 107.32 107.53 1n3g s GLY 65 Ca 0.06 -1.25 -0.09 0.00 0.00 0.00 0.00 44.72 43.45 1n3g s GLY 65 CO 0.04 1.73 0.11 1.25 0.00 0.00 0.00 173.10 176.24 1n3g s LYS 66 N 1.84 3.97 -0.25 2.90 2.47 -1.26 -2.23 119.74 127.18 1n3g s LYS 66 Ca 0.07 -0.24 -0.28 0.00 -1.56 0.00 0.00 55.97 53.96 1n3g s LYS 66 Cb -0.17 -3.31 0.17 0.00 -1.46 0.00 0.00 37.83 33.06 1n3g s LYS 66 CO -0.25 0.39 1.24 -1.58 0.16 0.00 0.00 175.35 175.31 1n3g s HIS 67 N 0.08 -0.19 0.51 4.03 2.46 -1.03 -4.89 115.29 116.25 1n3g s HIS 67 Ca 0.08 0.38 0.17 0.00 0.47 0.00 0.00 55.06 56.16 1n3g s HIS 67 Cb -0.11 0.46 1.26 0.00 -0.13 0.00 0.00 32.58 34.05 1n3g s HIS 67 CO -0.00 -0.14 2.10 1.05 -2.47 0.00 0.00 174.74 175.27 1n3g h GLU 68 N 2.72 0.06 -5.56 2.88 4.11 -1.88 0.90 114.58 117.82 1n3g h GLU 68 Ca -0.18 -0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.65 1n3g h GLU 68 Cb 1.18 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 1n3g h GLU 68 CO 0.22 0.04 0.08 -0.51 0.07 0.00 0.00 179.01 178.91 1n3g s ASP 69 N -6.79 6.60 0.18 3.06 1.11 -1.26 -4.56 116.67 115.01 1n3g s ASP 69 Ca -0.05 0.73 -0.13 0.00 0.18 0.00 0.00 52.55 53.28 1n3g s ASP 69 Cb 0.18 -2.33 0.13 0.00 1.07 0.00 0.00 42.92 41.98 1n3g s ASP 69 CO 0.69 -0.28 1.80 0.00 1.18 0.00 0.00 175.17 178.56 1n3g h MET 70 N 7.64 0.54 0.00 8.23 -0.00 -1.99 0.39 114.93 129.74 1n3g h MET 70 Ca -0.30 -0.03 -0.07 0.00 -0.00 0.00 0.00 59.70 59.29 1n3g h MET 70 Cb 1.14 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 32.61 1n3g h MET 70 CO 0.76 0.36 -0.32 1.88 -0.00 0.00 0.00 176.91 179.58 1n3g h TYR 71 N 0.56 0.00 -0.00 -0.10 -1.99 -1.95 -2.11 116.97 111.38 1n3g h TYR 71 Ca 0.22 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.81 1n3g h TYR 71 Cb 0.10 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.81 1n3g h TYR 71 CO -0.09 0.32 -0.70 1.15 -0.00 0.00 0.00 178.16 178.85 1n3g h THR 72 N 0.00 1.50 -0.29 -2.88 2.02 -1.61 -2.69 112.91 108.96 1n3g h THR 72 Ca -0.00 -2.39 -0.15 0.00 0.77 0.00 0.00 66.41 64.64 1n3g h THR 72 Cb 0.66 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 1n3g h THR 72 CO 0.04 0.68 -0.43 0.00 0.37 0.00 0.00 175.52 176.19 1n3g h ALA 73 N 1.30 0.71 -0.31 6.16 0.00 -0.31 -0.33 119.26 126.47 1n3g h ALA 73 Ca -0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1n3g h ALA 73 Cb 1.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1n3g h ALA 73 CO 0.09 0.67 0.03 0.82 0.00 0.00 0.00 179.25 180.85 1n3g h ILE 74 N 0.58 1.25 0.68 0.00 1.08 -1.36 -0.77 117.51 118.96 1n3g h ILE 74 Ca 0.04 -0.88 -0.03 0.00 -0.39 0.00 0.00 64.86 63.60 1n3g h ILE 74 Cb 0.98 1.22 0.01 0.00 -3.07 0.00 0.00 36.82 35.96 1n3g h ILE 74 CO 0.09 0.29 -0.33 0.78 -0.69 0.00 0.00 178.15 178.29 1n3g h ASN 75 N 0.33 -0.77 -0.71 1.72 2.35 -1.42 -2.61 115.58 114.47 1n3g h ASN 75 Ca 0.09 0.01 0.18 0.00 -0.55 0.00 0.00 56.30 56.02 1n3g h ASN 75 Cb 0.39 0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 1n3g h ASN 75 CO 0.01 -0.40 0.50 -0.33 -1.65 0.00 0.00 177.43 175.56 1n3g h GLU 76 N -1.19 0.17 0.26 0.81 4.39 -1.12 -1.56 114.58 116.34 1n3g h GLU 76 Ca -0.09 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1n3g h GLU 76 Cb 0.72 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1n3g h GLU 76 CO 0.15 0.11 -0.13 1.25 -1.16 0.00 0.00 179.01 179.24 1n3g h LEU 77 N 0.18 -0.30 -2.15 1.33 6.46 -1.02 -2.54 115.31 117.26 1n3g h LEU 77 Ca 0.35 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 1n3g h LEU 77 Cb 1.12 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1n3g h LEU 77 CO -0.06 -0.08 -0.06 -0.29 -0.62 0.00 0.00 178.44 177.32 1n3g h ILE 78 N -0.51 0.38 0.37 4.05 2.10 -0.92 -2.57 117.51 120.41 1n3g h ILE 78 Ca -0.04 -0.35 -0.02 0.00 1.08 0.00 0.00 64.86 65.54 1n3g h ILE 78 Cb 0.38 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 37.36 1n3g h ILE 78 CO 0.06 0.06 -0.18 0.78 -1.08 0.00 0.00 178.15 177.79 1n3g h ASN 79 N 0.00 -0.42 -0.96 2.19 2.35 -1.05 -1.84 115.58 115.85 1n3g h ASN 79 Ca -0.00 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.64 1n3g h ASN 79 Cb 0.24 0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.67 1n3g h ASN 79 CO 0.01 0.01 0.63 0.11 -1.65 0.00 0.00 177.43 176.53 1n3g h LYS 80 N -0.96 1.21 -0.52 0.81 1.79 -1.36 -2.39 116.57 115.15 1n3g h LYS 80 Ca -0.05 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 1n3g h LYS 80 Cb 0.53 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 1n3g h LYS 80 CO 0.08 0.80 0.24 1.25 -1.08 0.00 0.00 179.45 180.74 1n3g h LEU 81 N 1.24 0.69 -0.02 2.94 7.12 -1.51 -1.90 115.31 123.87 1n3g h LEU 81 Ca 0.37 -0.14 0.02 0.00 0.13 0.00 0.00 57.88 58.26 1n3g h LEU 81 Cb -0.05 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 39.88 1n3g h LEU 81 CO -0.11 0.64 -0.12 -0.33 -0.13 0.00 0.00 178.44 178.39 1n3g h GLU 82 N 0.70 -0.19 -0.10 1.25 3.07 -0.84 0.18 114.58 118.65 1n3g h GLU 82 Ca 0.18 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.07 1n3g h GLU 82 Cb 0.14 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 1n3g h GLU 82 CO -0.02 -0.12 -0.04 0.00 -1.40 0.00 0.00 179.01 177.42 1n3g h ARG 83 N -0.19 -0.03 0.00 2.33 3.08 -1.36 -0.60 114.38 117.61 1n3g h ARG 83 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1n3g h ARG 83 Cb 0.26 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1n3g h ARG 83 CO -0.13 -0.02 -0.04 0.37 -1.07 0.00 0.00 179.97 179.08 1n3g h GLN 84 N -0.04 0.00 -0.09 0.04 4.15 -1.08 -2.49 115.11 115.60 1n3g h GLN 84 Ca 0.05 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 1n3g h GLN 84 Cb 0.12 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1n3g h GLN 84 CO -0.12 0.04 -0.12 1.25 -1.93 0.00 0.00 178.83 177.95 1n3g h LEU 85 N 0.00 0.26 -0.85 -2.39 6.46 0.43 -2.77 115.31 116.45 1n3g h LEU 85 Ca -0.00 -0.52 0.09 0.00 -0.12 0.00 0.00 57.88 57.33 1n3g h LEU 85 Cb 0.07 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 39.85 1n3g h LEU 85 CO 0.01 0.73 0.50 0.78 -0.62 0.00 0.00 178.44 179.83 1n3g h ASN 86 N -0.21 0.73 0.54 1.25 2.35 -0.72 -1.40 115.58 118.11 1n3g h ASN 86 Ca 0.01 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1n3g h ASN 86 Cb 0.67 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.95 1n3g h ASN 86 CO 0.03 0.42 -0.26 0.50 -1.65 0.00 0.00 177.43 176.47 1n3g h LYS 87 N 0.84 -0.70 -0.27 0.81 3.11 -1.48 0.15 116.57 119.03 1n3g h LYS 87 Ca 0.40 0.05 0.08 0.00 -2.81 0.00 0.00 60.65 58.37 1n3g h LYS 87 Cb 0.34 0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1n3g h LYS 87 CO -0.23 -0.44 0.27 1.25 -2.81 0.00 0.00 179.45 177.48 1n3g h LEU 88 N -0.77 0.00 0.00 5.20 6.46 -1.17 0.12 115.31 125.15 1n3g h LEU 88 Ca -0.07 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.63 1n3g h LEU 88 Cb 0.58 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1n3g h LEU 88 CO 0.12 0.00 -0.98 1.56 -0.62 0.00 0.00 178.44 178.52 1n3g h GLN 89 N 0.00 0.00 -5.94 1.25 7.50 -0.78 -3.46 115.11 113.69 1n3g h GLN 89 Ca 0.13 0.00 -0.62 0.00 0.50 0.00 0.00 58.65 58.66 1n3g h GLN 89 Cb 0.66 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.18 1n3g h GLN 89 CO -0.00 0.12 1.48 1.58 -1.50 0.00 0.00 178.83 180.51 1n3g n HIS 90 N -2.83 1.73 -2.71 2.96 -0.00 0.48 -4.74 115.22 110.11 1n3g n HIS 90 Ca -0.02 0.08 -0.02 0.00 0.46 0.00 0.00 57.72 58.22 1n3g n HIS 90 Cb 0.65 -2.63 0.11 0.00 -0.12 0.00 0.00 29.99 28.00 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 8.53 1.44 -3.64 1.57 4.81 -1.26 -5.02 118.16 124.60 1n3g n LYS 91 Ca 0.36 -1.83 -0.29 0.00 -0.87 0.00 0.00 58.31 55.68 1n3g n LYS 91 Cb 0.35 -0.11 -0.12 0.00 0.02 0.00 0.00 35.03 35.16 1n3g n LYS 91 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1n3g s GLY 92 N -1.81 1.51 -0.33 3.14 0.00 -1.26 -4.97 107.32 103.59 1n3g s GLY 92 Ca 0.14 -2.47 -0.05 0.00 0.00 0.00 0.00 44.72 42.34 1n3g s GLY 92 CO -0.10 1.70 1.18 -2.21 0.00 0.00 0.00 173.10 173.67 1n3g n GLU 93 N 3.52 0.09 -3.58 2.90 4.07 -1.26 -5.17 120.64 121.21 1n3g n GLU 93 Ca 0.12 -0.70 -0.30 0.00 -0.06 0.00 0.00 57.16 56.22 1n3g n GLU 93 Cb 0.36 0.01 -0.04 0.00 -0.06 0.00 0.00 31.44 31.71 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 0.54 3.74 -0.70 4.31 0.00 -1.26 -4.98 121.76 123.41 1n3g s ALA 94 Ca 0.25 -0.59 -0.26 0.00 0.00 0.00 0.00 51.96 51.35 1n3g s ALA 94 Cb 0.17 -2.16 -0.10 0.00 0.00 0.00 0.00 23.12 21.03 1n3g s ALA 94 CO -0.09 0.51 2.33 0.50 0.00 0.00 0.00 175.76 179.00 1n3g s ARG 95 N -3.02 1.91 0.00 0.00 3.00 -1.26 -4.92 118.95 114.67 1n3g s ARG 95 Ca 0.42 0.69 0.00 0.00 -1.00 0.00 0.00 55.73 55.84 1n3g s ARG 95 Cb -0.11 -4.73 0.00 0.00 0.00 0.00 0.00 34.95 30.11 1n3g s ARG 95 CO 0.26 -3.88 0.00 -2.13 0.00 0.00 0.00 175.30 169.55 1n3g n ARG 96 N 8.91 0.85 -1.25 5.12 0.63 -1.26 -4.50 116.66 125.15 1n3g n ARG 96 Ca 0.41 0.00 0.16 0.00 -0.92 0.00 0.00 57.85 57.50 1n3g n ARG 96 Cb 0.48 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.32 1n3g n ARG 96 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1n3g n ALA 97 N -3.00 -3.28 -0.87 5.13 0.00 -1.26 -4.79 120.51 112.44 1n3g n ALA 97 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 53.44 54.12 1n3g n ALA 97 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 -3.49 0.00 1.36 0.00 0.00 -1.26 -3.50 120.51 113.63 1n3g n ALA 98 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1n3g n ALA 98 Cb 0.59 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.74 1n3g n ALA 98 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1n3g n THR 99 N -1.34 0.11 -0.91 0.00 -1.04 -1.26 -3.46 114.28 106.39 1n3g n THR 99 Ca 0.00 0.03 -0.22 0.00 -2.04 0.00 0.00 64.05 61.81 1n3g n THR 99 Cb 0.00 -0.59 0.10 0.00 -1.82 0.00 0.00 70.33 68.02 1n3g n THR 99 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1n3g n SER 100 N -1.22 5.35 -0.08 8.00 7.64 -1.23 -4.18 113.62 127.91 1n3g n SER 100 Ca 0.14 -3.34 -0.10 0.00 1.01 0.00 0.00 58.87 56.59 1n3g n SER 100 Cb 0.18 -0.89 -0.15 0.00 -1.01 0.00 0.00 64.21 62.34 1n3g n SER 100 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1n3g n VAL 101 N -0.54 1.46 -1.08 0.44 3.14 -1.22 -4.54 118.33 115.98 1n3g n VAL 101 Ca 0.47 -0.84 -0.34 0.00 -2.96 0.00 0.00 64.34 60.67 1n3g n VAL 101 Cb 1.01 -0.64 -0.03 0.00 -1.06 0.00 0.00 33.84 33.12 1n3g n VAL 101 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1n3g n LYS 102 N -2.84 2.21 -3.24 1.45 2.85 -1.26 -4.67 118.16 112.66 1n3g n LYS 102 Ca -0.28 -1.83 0.03 0.00 -1.05 0.00 0.00 58.31 55.18 1n3g n LYS 102 Cb 1.13 -2.76 -0.02 0.00 -0.65 0.00 0.00 35.03 32.73 1n3g n LYS 102 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1n3g s ASP 103 N 3.73 -1.22 1.20 -5.58 -4.77 -1.26 -5.17 116.67 103.61 1n3g s ASP 103 Ca 0.50 0.92 -0.19 0.00 -3.30 0.00 0.00 52.55 50.48 1n3g s ASP 103 Cb 0.13 2.08 0.29 0.00 -1.09 0.00 0.00 42.92 44.33 1n3g s ASP 103 CO 0.00 -0.23 1.12 0.00 0.70 0.00 0.00 175.17 176.76 1n3g s ALA 104 N 2.86 0.64 -0.98 2.11 0.00 -1.26 -4.82 121.76 120.31 1n3g s ALA 104 Ca 0.13 -0.97 -0.24 0.00 0.00 0.00 0.00 51.96 50.88 1n3g s ALA 104 Cb -0.14 -2.87 -0.14 0.00 0.00 0.00 0.00 23.12 19.96 1n3g s ALA 104 CO -0.19 -3.58 1.93 0.09 0.00 0.00 0.00 175.76 174.00 1n3g n ASN 105 N -4.75 2.60 0.00 0.00 3.02 -1.26 -4.75 115.26 110.12 1n3g n ASN 105 Ca 0.13 -2.66 0.00 0.00 -0.03 0.00 0.00 54.58 52.03 1n3g n ASN 105 Cb 0.60 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 1n3g n ASN 105 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1n3g n PHE 106 N 12.75 0.00 -3.46 3.10 3.01 -1.26 -4.93 117.46 126.66 1n3g n PHE 106 Ca 0.46 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.52 1n3g n PHE 106 Cb 0.45 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.82 1n3g n PHE 106 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1n3g s VAL 107 N 0.29 5.22 -0.17 -4.37 1.01 -1.26 -4.89 120.40 116.22 1n3g s VAL 107 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1n3g s VAL 107 Cb 0.00 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1n3g s VAL 107 CO 0.00 0.01 0.21 1.21 0.00 0.00 0.00 175.10 176.53 1n3g n GLU 108 N 5.25 4.69 -3.61 2.72 4.07 -1.26 -5.01 120.64 127.49 1n3g n GLU 108 Ca -0.11 -0.15 -0.37 0.00 -0.06 0.00 0.00 57.16 56.47 1n3g n GLU 108 Cb 0.50 -0.72 -0.06 0.00 -0.06 0.00 0.00 31.44 31.10 1n3g n GLU 108 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1n3g s GLU 109 N -1.03 3.89 -0.52 5.31 2.12 -1.26 -4.61 118.70 122.60 1n3g s GLU 109 Ca 0.02 0.17 -0.13 0.00 0.36 0.00 0.00 54.97 55.38 1n3g s GLU 109 Cb 0.02 -3.28 0.02 0.00 0.26 0.00 0.00 34.13 31.15 1n3g s GLU 109 CO 0.09 0.57 0.63 0.28 -0.54 0.00 0.00 175.26 176.30 1n3g n VAL 110 N 2.41-10.18 0.00 3.70 0.31 -1.26 -5.01 118.33 108.29 1n3g n VAL 110 Ca -0.15 0.52 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 1n3g n VAL 110 Cb 0.53 -6.84 0.00 0.00 -0.91 0.00 0.00 33.84 26.62 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 -0.75 0.00 0.00 5.55 4.71 -1.26 -5.07 120.64 123.82 1n3g n GLU 111 Ca 0.06 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.31 1n3g n GLU 111 Cb 0.49 -0.55 0.00 0.00 -1.01 0.00 0.00 31.44 30.37 1n3g n GLU 111 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1n3g n GLU 112 N -2.24 0.00 0.00 3.49 2.13 -1.26 -5.22 120.64 117.54 1n3g n GLU 112 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 1n3g n GLU 112 Cb 0.00 0.00 0.79 0.00 0.27 0.00 0.00 31.44 32.50 1n3g n GLU 112 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11