#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3r n SER 2 N 0.00 0.00 0.00 3.54 2.88 -1.26 -5.15 113.62 113.63 1n3r n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1n3r n SER 2 Cb 0.00 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1n3r n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n3r n LEU 3 N -1.54 0.00 -3.69 2.46 4.77 -1.26 -4.99 117.00 112.75 1n3r n LEU 3 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1n3r n LEU 3 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1n3r n LEU 3 CO 0.00 0.00 0.16 -0.55 -1.33 0.00 0.00 177.39 175.67 1n3r s SER 4 N 1.03 -0.39 0.06 -1.43 0.15 -1.26 -5.08 113.70 106.79 1n3r s SER 4 Ca 0.00 0.50 -0.31 0.00 0.70 0.00 0.00 55.95 56.84 1n3r s SER 4 Cb 0.00 0.56 -0.16 0.00 -1.71 0.00 0.00 66.02 64.72 1n3r s SER 4 CO 0.00 -0.40 1.47 0.11 1.20 0.00 0.00 173.24 175.63 1n3r h LYS 5 N 4.15 -0.92 -0.44 5.44 1.57 -2.01 -2.23 116.57 122.13 1n3r h LYS 5 Ca -0.28 0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1n3r h LYS 5 Cb 1.17 0.21 -0.05 0.00 0.08 0.00 0.00 32.23 33.64 1n3r h LYS 5 CO 0.34 -0.62 0.15 0.93 -0.57 0.00 0.00 179.45 179.68 1n3r h GLU 6 N -0.96 0.30 -0.21 3.15 3.07 -1.98 -1.92 114.58 116.02 1n3r h GLU 6 Ca -0.08 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.82 1n3r h GLU 6 Cb 0.79 -0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.56 1n3r h GLU 6 CO 0.03 0.20 -0.43 0.00 -1.40 0.00 0.00 179.01 177.41 1n3r h ALA 7 N 1.29 -0.56 -0.64 3.43 0.00 -1.92 0.27 119.26 121.14 1n3r h ALA 7 Ca 0.21 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1n3r h ALA 7 Cb 0.21 0.83 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1n3r h ALA 7 CO -0.22 -0.91 0.20 0.00 0.00 0.00 0.00 179.25 178.32 1n3r h ALA 8 N 0.19 0.82 -0.35 0.00 0.00 -1.06 0.70 119.26 119.57 1n3r h ALA 8 Ca 0.09 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1n3r h ALA 8 Cb 0.61 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1n3r h ALA 8 CO -0.45 -0.24 0.07 -0.07 0.00 0.00 0.00 179.25 178.56 1n3r h LEU 9 N 0.36 0.02 0.67 0.00 3.38 -0.33 0.18 115.31 119.59 1n3r h LEU 9 Ca 0.34 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.33 1n3r h LEU 9 Cb 0.48 0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1n3r h LEU 9 CO -0.37 0.05 -0.32 0.58 0.09 0.00 0.00 178.44 178.46 1n3r h VAL 10 N 0.20 0.00 -0.79 1.22 2.07 0.16 -0.91 116.25 118.19 1n3r h VAL 10 Ca 0.16 -0.33 0.14 0.00 0.82 0.00 0.00 66.70 67.50 1n3r h VAL 10 Cb 0.18 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.81 1n3r h VAL 10 CO -0.21 0.00 -0.29 -0.74 0.02 0.00 0.00 177.57 176.35 1n3r h HIS 11 N -1.23 -0.73 -0.63 1.57 -0.00 0.39 0.30 115.15 114.81 1n3r h HIS 11 Ca -0.09 0.08 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 1n3r h HIS 11 Cb 0.69 0.44 -0.03 0.00 -0.00 0.00 0.00 27.41 28.52 1n3r h HIS 11 CO 0.00 -0.38 0.27 0.93 -0.00 0.00 0.00 177.93 178.76 1n3r h GLU 12 N -0.05 0.94 -0.33 5.26 5.08 -0.65 0.13 114.58 124.96 1n3r h GLU 12 Ca 0.34 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1n3r h GLU 12 Cb 0.59 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1n3r h GLU 12 CO -0.83 0.78 0.22 0.00 -1.00 0.00 0.00 179.01 178.17 1n3r h ALA 13 N 1.11 1.82 0.11 3.43 0.00 0.89 0.17 119.26 126.78 1n3r h ALA 13 Ca 0.21 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1n3r h ALA 13 Cb 0.18 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.87 1n3r h ALA 13 CO -0.02 0.16 -0.70 -0.07 0.00 0.00 0.00 179.25 178.61 1n3r h LEU 14 N 0.40 0.43 -1.45 0.00 3.38 0.07 -3.15 115.31 114.99 1n3r h LEU 14 Ca 0.13 -0.93 0.01 0.00 0.09 0.00 0.00 57.88 57.17 1n3r h LEU 14 Cb 0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1n3r h LEU 14 CO -0.03 1.33 0.37 0.58 0.09 0.00 0.00 178.44 180.78 1n3r h VAL 15 N -0.40 1.14 0.00 1.22 2.07 -0.19 0.15 116.25 120.24 1n3r h VAL 15 Ca -0.12 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1n3r h VAL 15 Cb 1.53 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1n3r h VAL 15 CO 0.13 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.86 1n3r h ALA 16 N 1.65 1.00 -0.01 1.67 0.00 -1.05 -1.98 119.26 120.54 1n3r h ALA 16 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1n3r h ALA 16 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1n3r h ALA 16 CO -0.05 0.00 -0.53 -2.13 0.00 0.00 0.00 179.25 176.55 1n3r n ARG 17 N -3.00 1.28 -3.45 0.00 3.00 0.01 -4.98 116.66 109.53 1n3r n ARG 17 Ca 0.01 -0.70 -0.20 0.00 -0.00 0.00 0.00 57.85 56.96 1n3r n ARG 17 Cb 0.29 -1.39 0.08 0.00 0.00 0.00 0.00 32.46 31.44 1n3r n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n3r n GLY 18 N 1.34 -0.38 0.21 5.14 0.00 0.30 -4.88 105.19 106.92 1n3r n GLY 18 Ca 0.07 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.27 1n3r n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3r n LEU 19 N -4.41 1.23 -4.70 0.99 4.77 -0.87 -5.00 117.00 109.00 1n3r n LEU 19 Ca -0.07 -0.85 -0.42 0.00 -0.03 0.00 0.00 56.01 54.64 1n3r n LEU 19 Cb 0.58 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1n3r n LEU 19 CO 0.58 0.25 1.10 -1.61 -1.33 0.00 0.00 177.39 176.39 1n3r s GLU 20 N -0.92 4.30 0.12 3.23 0.41 -1.25 -4.91 118.70 119.68 1n3r s GLU 20 Ca 0.07 2.06 -0.35 0.00 -0.41 0.00 0.00 54.97 56.34 1n3r s GLU 20 Cb 0.06 -3.38 -0.17 0.00 -1.78 0.00 0.00 34.13 28.86 1n3r s GLU 20 CO 0.15 -0.50 1.17 2.41 -0.49 0.00 0.00 175.26 177.99 1n3r n THR 21 N 4.25 0.55 -1.46 3.63 -1.04 -1.26 -4.69 114.28 114.24 1n3r n THR 21 Ca 0.12 -0.14 -0.47 0.00 -2.04 0.00 0.00 64.05 61.53 1n3r n THR 21 Cb 0.43 -0.67 -0.08 0.00 -1.82 0.00 0.00 70.33 68.19 1n3r n THR 21 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1n3r n PRO 22 N 1.92 0.80 -4.10 -2.82 -0.02 -1.26 -4.93 135.00 124.59 1n3r n PRO 22 Ca 0.17 0.16 -0.25 0.00 -2.02 0.00 0.00 63.50 61.56 1n3r n PRO 22 Cb 0.20 -2.41 -0.17 0.00 -0.02 0.00 0.00 33.50 31.11 1n3r n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n3r s LEU 23 N 8.49 1.28 0.45 2.45 1.02 -1.26 -5.14 118.68 125.98 1n3r s LEU 23 Ca 1.13 -0.28 -0.21 0.00 0.02 0.00 0.00 54.13 54.79 1n3r s LEU 23 Cb -0.84 -0.78 -0.09 0.00 0.02 0.00 0.00 46.19 44.49 1n3r s LEU 23 CO 0.46 -0.08 1.03 -0.60 0.02 0.00 0.00 176.35 177.18 1n3r s ARG 24 N 1.39 3.96 -0.08 1.70 3.52 -1.26 -4.94 118.95 123.23 1n3r s ARG 24 Ca -0.01 1.38 -0.37 0.00 -0.13 0.00 0.00 55.73 56.60 1n3r s ARG 24 Cb -0.14 -2.24 -0.15 0.00 -1.56 0.00 0.00 34.95 30.86 1n3r s ARG 24 CO -0.04 -0.30 1.66 -2.30 -0.81 0.00 0.00 175.30 173.51 1n3r n PRO 25 N -0.65 1.56 -0.08 5.12 -0.02 -1.26 -4.82 135.00 134.84 1n3r n PRO 25 Ca 0.08 0.57 0.25 0.00 -2.02 0.00 0.00 63.50 62.37 1n3r n PRO 25 Cb 0.52 -2.30 0.71 0.00 -0.02 0.00 0.00 33.50 32.42 1n3r n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n3r h PRO 26 N 6.90 0.00 0.00 0.52 0.11 -2.07 -3.46 132.00 134.01 1n3r h PRO 26 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n3r h PRO 26 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1n3r h PRO 26 CO 0.90 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.97 1n3r n VAL 27 N -4.23 0.00 -3.77 3.15 0.31 -1.26 -4.56 118.33 107.97 1n3r n VAL 27 Ca 0.14 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.11 1n3r n VAL 27 Cb 0.80 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.67 1n3r n VAL 27 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1n3r s HIS 28 N 0.00 3.62 -1.09 3.52 -3.43 -1.26 -5.02 115.29 111.62 1n3r s HIS 28 Ca 0.00 0.63 -0.21 0.00 -0.80 0.00 0.00 55.06 54.68 1n3r s HIS 28 Cb 0.00 -2.02 0.07 0.00 -1.43 0.00 0.00 32.58 29.20 1n3r s HIS 28 CO 0.00 0.67 1.48 -1.21 -2.00 0.00 0.00 174.74 173.68 1n3r s GLU 29 N -1.33 3.72 0.63 -0.38 2.02 -1.26 -4.99 118.70 117.12 1n3r s GLU 29 Ca 0.22 -1.52 -0.18 0.00 0.02 0.00 0.00 54.97 53.51 1n3r s GLU 29 Cb -0.13 -5.33 -0.02 0.00 0.10 0.00 0.00 34.13 28.75 1n3r s GLU 29 CO 0.11 -2.14 1.26 1.41 0.02 0.00 0.00 175.26 175.92 1n3r s MET 30 N 4.28 2.67 0.10 1.61 -2.45 -1.26 -4.88 119.30 119.37 1n3r s MET 30 Ca 0.46 1.97 -0.31 0.00 -1.25 0.00 0.00 55.69 56.56 1n3r s MET 30 Cb 0.00 -1.87 -0.10 0.00 1.25 0.00 0.00 34.83 34.11 1n3r s MET 30 CO -0.05 -1.48 1.83 0.34 1.05 0.00 0.00 175.02 176.71 1n3r s ASP 31 N -1.50 6.45 0.26 1.11 2.15 -1.26 -4.86 116.67 119.02 1n3r s ASP 31 Ca 0.80 2.71 -0.01 0.00 0.43 0.00 0.00 52.55 56.49 1n3r s ASP 31 Cb -0.35 -2.56 0.57 0.00 -0.30 0.00 0.00 42.92 40.28 1n3r s ASP 31 CO 0.38 -1.00 1.70 -1.13 -0.17 0.00 0.00 175.17 174.95 1n3r h ASN 32 N 8.84 0.23 0.29 -0.34 -1.24 -2.01 0.24 115.58 121.59 1n3r h ASN 32 Ca -0.46 0.14 -0.05 0.00 0.71 0.00 0.00 56.30 56.64 1n3r h ASN 32 Cb 1.22 0.13 -0.01 0.00 0.73 0.00 0.00 38.32 40.40 1n3r h ASN 32 CO 0.95 0.03 -0.25 -0.33 -1.29 0.00 0.00 177.43 176.54 1n3r h GLU 33 N 0.39 0.00 0.00 6.67 5.08 -2.01 -2.15 114.58 122.56 1n3r h GLU 33 Ca 0.47 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.78 1n3r h GLU 33 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1n3r h GLU 33 CO -0.48 0.25 -0.28 1.15 -1.00 0.00 0.00 179.01 178.65 1n3r h THR 34 N 0.00 0.73 0.05 1.13 2.02 -0.89 -2.78 112.91 113.17 1n3r h THR 34 Ca -0.00 -1.19 -0.00 0.00 0.77 0.00 0.00 66.41 65.98 1n3r h THR 34 Cb 0.46 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1n3r h THR 34 CO 0.03 0.27 -0.02 0.03 0.37 0.00 0.00 175.52 176.20 1n3r h ARG 35 N 0.00 -0.06 -0.87 6.66 3.08 -1.09 -2.82 114.38 119.28 1n3r h ARG 35 Ca -0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.19 1n3r h ARG 35 Cb 0.73 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.73 1n3r h ARG 35 CO 0.04 0.57 0.57 0.87 -1.07 0.00 0.00 179.97 180.94 1n3r h LYS 36 N -0.82 0.65 -0.27 0.04 1.57 -1.49 0.54 116.57 116.80 1n3r h LYS 36 Ca -0.01 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 1n3r h LYS 36 Cb 0.66 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1n3r h LYS 36 CO 0.01 0.43 -0.47 0.66 -0.57 0.00 0.00 179.45 179.51 1n3r h SER 37 N 0.67 0.77 0.85 0.86 4.64 -1.56 0.41 113.55 120.19 1n3r h SER 37 Ca 0.44 -0.38 -0.16 0.00 -0.47 0.00 0.00 61.79 61.22 1n3r h SER 37 Cb 0.71 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1n3r h SER 37 CO -0.19 1.12 -0.76 -0.07 -0.87 0.00 0.00 176.83 176.05 1n3r h LEU 38 N 0.56 0.00 0.04 5.97 3.38 -0.76 -2.24 115.31 122.26 1n3r h LEU 38 Ca 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1n3r h LEU 38 Cb 1.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.79 1n3r h LEU 38 CO 0.10 0.76 -0.35 0.40 0.09 0.00 0.00 178.44 179.45 1n3r h ILE 39 N 0.00 1.60 -0.84 1.22 2.04 0.09 -2.59 117.51 119.03 1n3r h ILE 39 Ca -0.01 -2.21 0.17 0.00 1.00 0.00 0.00 64.86 63.81 1n3r h ILE 39 Cb 1.39 3.03 -0.06 0.00 -0.74 0.00 0.00 36.82 40.45 1n3r h ILE 39 CO 0.10 0.60 0.55 0.00 0.00 0.00 0.00 178.15 179.40 1n3r h ALA 40 N 0.15 2.09 -0.05 1.87 0.00 -0.20 -0.98 119.26 122.14 1n3r h ALA 40 Ca -0.05 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1n3r h ALA 40 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1n3r h ALA 40 CO 0.07 -0.34 -0.16 0.78 0.00 0.00 0.00 179.25 179.60 1n3r h GLY 41 N 0.46 0.23 1.31 0.00 0.00 -1.41 -2.12 103.07 101.54 1n3r h GLY 41 Ca 0.42 -0.29 0.09 0.00 0.00 0.00 0.00 47.33 47.55 1n3r h GLY 41 CO -0.16 0.26 0.26 0.45 0.00 0.00 0.00 176.54 177.35 1n3r h HIS 42 N -0.32 0.07 -0.19 5.60 -0.00 -0.86 0.13 115.15 119.57 1n3r h HIS 42 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 1n3r h HIS 42 Cb 0.79 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.17 1n3r h HIS 42 CO 0.13 0.03 -0.11 0.52 -0.00 0.00 0.00 177.93 178.50 1n3r h MET 43 N 0.06 0.41 -0.77 2.45 2.86 -1.07 -2.29 114.93 116.59 1n3r h MET 43 Ca 0.17 -0.19 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 1n3r h MET 43 Cb 0.60 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.20 1n3r h MET 43 CO -0.01 0.72 0.50 1.15 1.06 0.00 0.00 176.91 180.33 1n3r h THR 44 N 0.10 0.95 -0.08 2.22 2.02 -0.09 0.23 112.91 118.26 1n3r h THR 44 Ca 0.04 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1n3r h THR 44 Cb 0.60 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1n3r h THR 44 CO 0.03 0.13 -0.04 -0.33 0.37 0.00 0.00 175.52 175.68 1n3r h GLU 45 N 0.70 0.16 -0.33 6.66 4.39 -1.14 -1.22 114.58 123.80 1n3r h GLU 45 Ca 0.35 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 60.03 1n3r h GLU 45 Cb 0.44 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1n3r h GLU 45 CO -0.13 0.53 0.08 0.82 -1.16 0.00 0.00 179.01 179.15 1n3r h ILE 46 N -0.22 0.86 -0.78 3.13 2.04 -0.62 0.72 117.51 122.64 1n3r h ILE 46 Ca 0.02 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1n3r h ILE 46 Cb 0.49 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1n3r h ILE 46 CO 0.01 0.04 0.39 0.24 0.00 0.00 0.00 178.15 178.83 1n3r h MET 47 N 0.20 1.11 -0.29 2.37 2.86 -0.61 -2.05 114.93 118.53 1n3r h MET 47 Ca 0.15 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1n3r h MET 47 Cb 0.16 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1n3r h MET 47 CO -0.19 0.86 -0.21 1.96 1.06 0.00 0.00 176.91 180.38 1n3r h GLN 48 N 1.10 0.55 0.00 1.72 4.20 -0.07 -0.62 115.11 121.98 1n3r h GLN 48 Ca 0.27 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1n3r h GLN 48 Cb 0.10 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1n3r h GLN 48 CO -0.04 0.73 0.00 1.28 -0.67 0.00 0.00 178.83 180.13 1n3r n LEU 49 N -4.14 0.00 -0.77 1.46 4.77 0.24 -1.17 117.00 117.39 1n3r n LEU 49 Ca 0.00 0.25 0.07 0.00 -0.03 0.00 0.00 56.01 56.30 1n3r n LEU 49 Cb 0.39 -0.25 0.18 0.00 -2.33 0.00 0.00 43.42 41.41 1n3r n LEU 49 CO 0.42 -0.12 0.64 0.18 -1.33 0.00 0.00 177.39 177.18 1n3r n LEU 50 N -1.25 3.05 -3.48 2.23 4.77 -0.26 -4.98 117.00 117.07 1n3r n LEU 50 Ca 0.08 -1.89 -0.20 0.00 -0.03 0.00 0.00 56.01 53.97 1n3r n LEU 50 Cb 0.11 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1n3r n LEU 50 CO 0.11 0.75 0.01 0.59 -1.33 0.00 0.00 177.39 177.52 1n3r n ASN 51 N 0.76 -3.73 -4.31 -1.43 3.02 -0.32 -4.99 115.26 104.27 1n3r n ASN 51 Ca 0.14 -0.76 -0.36 0.00 -0.03 0.00 0.00 54.58 53.57 1n3r n ASN 51 Cb 0.46 -4.60 -0.13 0.00 -0.61 0.00 0.00 39.78 34.89 1n3r n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n3r s LEU 52 N -6.16 3.34 -1.08 3.41 1.43 -1.09 -5.03 118.68 113.50 1n3r s LEU 52 Ca 0.22 -0.60 -0.27 0.00 -1.03 0.00 0.00 54.13 52.45 1n3r s LEU 52 Cb -0.04 -1.79 -0.23 0.00 0.03 0.00 0.00 46.19 44.16 1n3r s LEU 52 CO 0.78 -0.11 2.13 -0.62 0.23 0.00 0.00 176.35 178.75 1n3r s ASP 53 N 1.46 3.35 0.56 2.29 2.15 -1.26 -4.65 116.67 120.57 1n3r s ASP 53 Ca 0.03 -0.95 0.37 0.00 0.43 0.00 0.00 52.55 52.43 1n3r s ASP 53 Cb -0.16 -2.60 2.00 0.00 -0.30 0.00 0.00 42.92 41.87 1n3r s ASP 53 CO -0.01 -4.85 2.14 -0.07 -0.17 0.00 0.00 175.17 172.21 1n3r h LEU 54 N 22.58 0.00 -1.34 -1.34 3.38 -1.95 0.08 115.31 136.71 1n3r h LEU 54 Ca 0.01 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.13 1n3r h LEU 54 Cb 1.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 1n3r h LEU 54 CO 1.01 0.00 0.57 0.00 0.09 0.00 0.00 178.44 180.10 1n3r h ALA 55 N 2.01 1.90 -2.71 1.53 0.00 -1.97 -3.36 119.26 116.65 1n3r h ALA 55 Ca 0.00 0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.35 1n3r h ALA 55 Cb 0.03 -0.11 0.15 0.00 0.00 0.00 0.00 17.79 17.86 1n3r h ALA 55 CO 0.00 -0.14 0.20 -3.47 0.00 0.00 0.00 179.25 175.84 1n3r n ASP 56 N -4.55 1.23 0.21 0.00 2.03 0.01 -4.91 116.55 110.57 1n3r n ASP 56 Ca 0.17 0.92 0.06 0.00 0.52 0.00 0.00 54.79 56.46 1n3r n ASP 56 Cb 0.50 -1.40 0.45 0.00 -0.72 0.00 0.00 41.12 39.94 1n3r n ASP 56 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1n3r h ASP 57 N 1.04 0.00 0.00 1.67 2.03 -1.88 -3.12 116.42 116.16 1n3r h ASP 57 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1n3r h ASP 57 Cb 1.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 1n3r h ASP 57 CO 0.54 0.31 -0.04 -1.28 -1.03 0.00 0.00 179.24 177.74 1n3r h SER 58 N 0.00 0.00 0.00 4.15 0.87 -1.90 -3.34 113.55 113.33 1n3r h SER 58 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1n3r h SER 58 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1n3r h SER 58 CO 0.04 0.15 0.46 -0.07 -0.53 0.00 0.00 176.83 176.87 1n3r h LEU 59 N -0.26 0.00 -0.08 2.23 3.38 -1.89 -1.95 115.31 116.73 1n3r h LEU 59 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1n3r h LEU 59 Cb 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1n3r h LEU 59 CO 0.00 0.00 -0.31 -0.03 0.09 0.00 0.00 178.44 178.19 1n3r h MET 60 N 0.00 -0.40 -0.62 1.13 4.05 -1.66 -2.54 114.93 114.89 1n3r h MET 60 Ca 0.00 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1n3r h MET 60 Cb 0.91 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.80 1n3r h MET 60 CO 0.00 -0.27 0.00 0.39 0.23 0.00 0.00 176.91 177.26 1n3r n GLU 61 N -5.41 2.20 -0.02 0.39 -0.58 -0.73 -4.32 120.64 112.18 1n3r n GLU 61 Ca -0.04 -1.17 -0.19 0.00 -0.42 0.00 0.00 57.16 55.35 1n3r n GLU 61 Cb 0.32 -1.58 -0.14 0.00 -0.57 0.00 0.00 31.44 29.48 1n3r n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1n3r h THR 62 N 1.63 1.40 -0.86 2.62 2.02 -1.57 -2.90 112.91 115.25 1n3r h THR 62 Ca 0.00 -2.40 0.20 0.00 0.77 0.00 0.00 66.41 64.97 1n3r h THR 62 Cb 0.81 3.01 -0.06 0.00 -1.74 0.00 0.00 68.15 70.18 1n3r h THR 62 CO 0.12 0.63 0.58 -0.65 0.37 0.00 0.00 175.52 176.56 1n3r h PRO 63 N -0.62 0.35 -0.14 6.66 0.11 -1.75 0.26 132.00 136.87 1n3r h PRO 63 Ca -0.17 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.89 1n3r h PRO 63 Cb 1.44 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.46 1n3r h PRO 63 CO 0.04 0.23 -0.05 1.25 -0.21 0.00 0.00 178.00 179.26 1n3r h HIS 64 N 0.36 0.32 -0.12 0.65 -0.00 -1.81 -2.59 115.15 111.96 1n3r h HIS 64 Ca 0.44 -0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.73 1n3r h HIS 64 Cb 1.15 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.47 1n3r h HIS 64 CO -0.00 0.59 0.06 0.00 -0.00 0.00 0.00 177.93 178.57 1n3r h ARG 65 N -0.04 0.18 -0.63 5.26 3.08 -0.41 -1.13 114.38 120.69 1n3r h ARG 65 Ca 0.03 -0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.19 1n3r h ARG 65 Cb 0.49 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 1n3r h ARG 65 CO 0.02 0.25 0.43 0.82 -1.07 0.00 0.00 179.97 180.41 1n3r h ILE 66 N 0.07 0.80 0.16 2.04 2.04 -0.76 0.24 117.51 122.12 1n3r h ILE 66 Ca 0.04 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1n3r h ILE 66 Cb 0.13 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1n3r h ILE 66 CO -0.01 0.05 -0.08 0.00 0.00 0.00 0.00 178.15 178.12 1n3r h ALA 67 N 1.69 -0.22 0.00 1.87 0.00 -0.99 -2.22 119.26 119.40 1n3r h ALA 67 Ca 0.30 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1n3r h ALA 67 Cb 0.81 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1n3r h ALA 67 CO -0.07 -0.44 -0.01 -0.22 0.00 0.00 0.00 179.25 178.50 1n3r h LYS 68 N -0.59 0.00 0.01 0.00 3.11 0.21 -2.86 116.57 116.46 1n3r h LYS 68 Ca -0.02 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1n3r h LYS 68 Cb 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.67 1n3r h LYS 68 CO 0.04 0.01 -0.01 1.98 -2.81 0.00 0.00 179.45 178.67 1n3r h MET 69 N 0.00 -0.02 0.08 1.90 4.05 -0.41 -2.49 114.93 118.05 1n3r h MET 69 Ca -0.00 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.44 1n3r h MET 69 Cb 0.04 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 1n3r h MET 69 CO 0.00 0.69 -0.21 1.88 0.23 0.00 0.00 176.91 179.50 1n3r h TYR 70 N -0.97 -0.56 0.00 1.39 0.05 -1.35 -1.76 116.97 113.78 1n3r h TYR 70 Ca -0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1n3r h TYR 70 Cb 0.72 0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.70 1n3r h TYR 70 CO 0.19 -0.30 0.00 0.28 -1.05 0.00 0.00 178.16 177.28 1n3r n VAL 71 N -5.34 0.00 -0.12 -2.88 0.31 -1.09 -2.53 118.33 106.69 1n3r n VAL 71 Ca -0.06 0.56 0.17 0.00 -0.01 0.00 0.00 64.34 65.00 1n3r n VAL 71 Cb 0.25 -1.33 0.57 0.00 -0.91 0.00 0.00 33.84 32.42 1n3r n VAL 71 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1n3r h ASP 72 N 0.00 0.26 0.00 4.52 3.32 -1.60 -3.29 116.42 119.63 1n3r h ASP 72 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1n3r h ASP 72 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1n3r h ASP 72 CO 0.00 0.13 0.00 -1.84 -1.72 0.00 0.00 179.24 175.81 1n3r n GLU 73 N -4.44 0.00 -0.29 3.56 0.28 -0.99 -4.58 120.64 114.19 1n3r n GLU 73 Ca 0.13 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.19 1n3r n GLU 73 Cb 0.57 -0.00 0.21 0.00 1.43 0.00 0.00 31.44 33.64 1n3r n GLU 73 CO 0.00 0.00 0.00 -0.84 -0.16 0.00 0.00 177.13 176.13 1n3r h ILE 74 N 0.00 0.75 -0.57 3.84 3.07 -1.55 -1.20 117.51 121.85 1n3r h ILE 74 Ca 0.00 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.20 1n3r h ILE 74 Cb 0.00 0.07 0.00 0.00 -0.27 0.00 0.00 36.82 36.62 1n3r h ILE 74 CO 0.00 0.11 0.00 0.49 -1.05 0.00 0.00 178.15 177.70 1n3r n PHE 75 N -4.87 1.45 0.29 0.16 3.72 -1.05 -3.41 117.46 113.74 1n3r n PHE 75 Ca 0.16 -0.56 0.17 0.00 -0.05 0.00 0.00 57.45 57.17 1n3r n PHE 75 Cb 0.40 -0.27 0.92 0.00 -0.94 0.00 0.00 39.48 39.59 1n3r n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1n3r h SER 76 N 3.67 0.00 0.42 4.37 4.64 -1.24 -0.27 113.55 125.14 1n3r h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n3r h SER 76 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1n3r h SER 76 CO 0.26 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 1n3r n GLY 77 N -1.18 -1.04 0.16 -0.77 0.00 -0.17 -2.92 105.19 99.27 1n3r n GLY 77 Ca -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 1n3r n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3r h LEU 78 N 0.00 0.14 -8.68 0.99 3.38 -1.13 -3.42 115.31 106.59 1n3r h LEU 78 Ca 0.00 -0.08 -0.67 0.00 0.09 0.00 0.00 57.88 57.22 1n3r h LEU 78 Cb 0.21 -0.04 -0.18 0.00 0.09 0.00 0.00 40.66 40.74 1n3r h LEU 78 CO 0.00 0.70 -0.28 -0.62 0.09 0.00 0.00 178.44 178.33 1n3r s ASP 79 N -6.88 6.17 0.00 -0.43 2.15 -1.15 -4.94 116.67 111.60 1n3r s ASP 79 Ca -0.03 -0.38 0.06 0.00 0.43 0.00 0.00 52.55 52.63 1n3r s ASP 79 Cb 0.12 -2.20 0.37 0.00 -0.30 0.00 0.00 42.92 40.91 1n3r s ASP 79 CO 0.78 -0.40 0.77 -1.22 -0.17 0.00 0.00 175.17 174.93 1n3r n TYR 80 N 5.41 0.00 0.59 -5.34 4.02 -1.26 -0.58 117.16 120.00 1n3r n TYR 80 Ca -0.09 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.93 1n3r n TYR 80 Cb 0.49 0.00 0.44 0.00 -0.02 0.00 0.00 39.34 40.25 1n3r n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3r n ALA 81 N -0.86 2.12 0.36 -0.72 0.00 -1.26 -2.58 120.51 117.56 1n3r n ALA 81 Ca 0.05 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1n3r n ALA 81 Cb 0.02 -1.45 0.20 0.00 0.00 0.00 0.00 19.45 18.23 1n3r n ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n3r n ASN 82 N -2.20 3.44 -4.70 0.00 3.02 0.25 -4.98 115.26 110.09 1n3r n ASN 82 Ca 0.05 -1.99 -0.43 0.00 -0.03 0.00 0.00 54.58 52.17 1n3r n ASN 82 Cb 0.37 -0.23 -0.01 0.00 -0.61 0.00 0.00 39.78 39.30 1n3r n ASN 82 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1n3r n PHE 83 N 1.49 2.33 -2.11 3.10 7.35 -1.07 -4.91 117.46 123.64 1n3r n PHE 83 Ca 0.19 0.47 -0.37 0.00 -0.76 0.00 0.00 57.45 56.97 1n3r n PHE 83 Cb 0.61 -2.46 0.01 0.00 0.35 0.00 0.00 39.48 37.99 1n3r n PHE 83 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1n3r s PRO 84 N -1.18 3.57 -0.70 -7.13 0.04 -1.26 -4.92 135.00 123.42 1n3r s PRO 84 Ca 0.61 1.91 -0.26 0.00 0.04 0.00 0.00 61.00 63.30 1n3r s PRO 84 Cb -0.59 -2.36 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 1n3r s PRO 84 CO 0.56 -0.75 1.75 0.15 0.04 0.00 0.00 177.00 178.75 1n3r s LYS 85 N -2.76 2.77 0.36 4.56 1.02 -1.26 -4.97 119.74 119.46 1n3r s LYS 85 Ca 0.66 0.22 -0.27 0.00 0.02 0.00 0.00 55.97 56.59 1n3r s LYS 85 Cb -0.32 -4.51 -0.09 0.00 -0.52 0.00 0.00 37.83 32.39 1n3r s LYS 85 CO 0.39 -2.70 1.22 0.42 -0.92 0.00 0.00 175.35 173.75 1n3r s ILE 86 N 8.41 2.99 -0.04 2.17 -1.09 -1.26 -5.01 121.20 127.37 1n3r s ILE 86 Ca 0.61 0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 59.93 1n3r s ILE 86 Cb -0.10 -3.56 0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1n3r s ILE 86 CO 0.15 0.16 0.10 0.42 -1.23 0.00 0.00 174.94 174.54 1n3r s THR 87 N -1.26 -0.04 0.32 2.92 -4.23 -1.26 -5.11 115.64 106.99 1n3r s THR 87 Ca 0.52 0.13 0.07 0.00 -1.18 0.00 0.00 61.69 61.23 1n3r s THR 87 Cb -0.35 -0.16 -0.06 0.00 1.34 0.00 0.00 72.50 73.27 1n3r s THR 87 CO 0.45 0.05 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.78 1n3r s LEU 88 N 0.77 2.57 0.06 4.79 1.43 -1.26 -2.12 118.68 124.92 1n3r s LEU 88 Ca -0.06 -1.24 0.04 0.00 -1.03 0.00 0.00 54.13 51.84 1n3r s LEU 88 Cb -0.08 -0.74 -0.03 0.00 0.03 0.00 0.00 46.19 45.37 1n3r s LEU 88 CO -0.03 -0.35 -0.12 0.27 0.23 0.00 0.00 176.35 176.35 1n3r s ILE 89 N -2.89 0.91 0.43 -0.59 -4.36 -0.70 -4.96 121.20 109.04 1n3r s ILE 89 Ca 0.32 -1.26 -0.26 0.00 -0.26 0.00 0.00 60.65 59.19 1n3r s ILE 89 Cb 0.05 -0.94 -0.09 0.00 1.25 0.00 0.00 42.46 42.72 1n3r s ILE 89 CO 0.14 -0.31 1.43 -0.70 0.24 0.00 0.00 174.94 175.74 1n3r s GLU 90 N -1.78 3.79 -1.41 0.37 2.12 -1.26 -1.33 118.70 119.20 1n3r s GLU 90 Ca -0.04 2.42 -0.09 0.00 0.36 0.00 0.00 54.97 57.63 1n3r s GLU 90 Cb -0.09 -2.72 0.07 0.00 0.26 0.00 0.00 34.13 31.64 1n3r s GLU 90 CO 0.01 -0.74 2.38 -1.71 -0.54 0.00 0.00 175.26 174.67 1n3r n ASN 91 N -0.04 6.78 -0.13 -1.70 5.15 0.03 -4.62 115.26 120.73 1n3r n ASN 91 Ca 0.04 -2.94 -0.11 0.00 -0.60 0.00 0.00 54.58 50.98 1n3r n ASN 91 Cb 0.41 -1.49 0.02 0.00 -0.53 0.00 0.00 39.78 38.19 1n3r n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1n3r h LYS 92 N 5.22 0.92 -0.03 1.20 1.57 -1.89 -2.84 116.57 120.74 1n3r h LYS 92 Ca 0.65 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1n3r h LYS 92 Cb 0.44 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1n3r h LYS 92 CO 1.67 1.07 0.10 0.52 -0.57 0.00 0.00 179.45 182.23 1n3r h MET 93 N 0.79 0.00 -5.37 3.15 2.86 -2.01 -3.46 114.93 110.89 1n3r h MET 93 Ca 0.09 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.46 1n3r h MET 93 Cb 0.83 0.00 0.17 0.00 0.06 0.00 0.00 31.60 32.66 1n3r h MET 93 CO 0.07 0.00 -0.76 1.63 1.06 0.00 0.00 176.91 178.91 1n3r n LYS 94 N -3.23 -4.39 -2.38 1.72 5.02 -1.07 -4.93 118.16 108.90 1n3r n LYS 94 Ca -0.02 0.81 -0.43 0.00 -2.02 0.00 0.00 58.31 56.65 1n3r n LYS 94 Cb 0.17 -5.63 -0.02 0.00 -0.02 0.00 0.00 35.03 29.53 1n3r n LYS 94 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1n3r s VAL 95 N -3.35 3.94 -0.18 -0.18 1.01 -1.26 -4.85 120.40 115.52 1n3r s VAL 95 Ca 0.19 0.95 0.16 0.00 0.00 0.00 0.00 61.98 63.29 1n3r s VAL 95 Cb -0.03 -4.25 0.46 0.00 0.00 0.00 0.00 36.38 32.57 1n3r s VAL 95 CO 0.69 -0.79 1.36 -0.90 0.00 0.00 0.00 175.10 175.46 1n3r n ASP 96 N 8.71 3.23 -4.28 3.32 5.75 -1.26 -4.10 116.55 127.93 1n3r n ASP 96 Ca 0.16 -3.17 -0.23 0.00 -0.01 0.00 0.00 54.79 51.54 1n3r n ASP 96 Cb 0.48 -0.53 -0.12 0.00 -1.03 0.00 0.00 41.12 39.92 1n3r n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1n3r s GLU 97 N -2.92 1.11 0.92 0.11 0.41 -1.26 -4.99 118.70 112.08 1n3r s GLU 97 Ca 0.40 -1.18 -0.11 0.00 -0.41 0.00 0.00 54.97 53.67 1n3r s GLU 97 Cb 0.34 -1.31 0.12 0.00 -1.78 0.00 0.00 34.13 31.50 1n3r s GLU 97 CO 0.06 0.30 0.99 0.00 -0.49 0.00 0.00 175.26 176.11 1n3r n MET 98 N 0.97 -0.39 -5.12 1.61 0.00 -1.26 -4.53 117.12 108.39 1n3r n MET 98 Ca -0.19 -0.05 -0.30 0.00 0.00 0.00 0.00 57.70 57.16 1n3r n MET 98 Cb 0.54 -2.27 -0.17 0.00 0.00 0.00 0.00 33.22 31.33 1n3r n MET 98 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1n3r s VAL 99 N -2.56 1.89 -0.05 3.17 1.01 -0.16 -4.95 120.40 118.75 1n3r s VAL 99 Ca 0.65 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1n3r s VAL 99 Cb -0.23 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1n3r s VAL 99 CO 0.60 0.52 -0.16 -0.89 0.00 0.00 0.00 175.10 175.17 1n3r s THR 100 N 0.19 1.40 -0.22 3.92 2.01 -1.26 -1.93 115.64 119.75 1n3r s THR 100 Ca -0.12 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 1n3r s THR 100 Cb -0.16 -1.22 0.02 0.00 0.01 0.00 0.00 72.50 71.15 1n3r s THR 100 CO 0.06 0.41 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.60 1n3r s VAL 101 N 0.24 2.62 0.35 3.82 1.01 0.11 -5.00 120.40 123.55 1n3r s VAL 101 Ca -0.08 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.02 1n3r s VAL 101 Cb -0.13 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1n3r s VAL 101 CO 0.03 0.33 0.06 0.00 0.00 0.00 0.00 175.10 175.52 1n3r s ARG 102 N 1.32 2.16 -1.32 2.72 1.70 -1.26 -0.57 118.95 123.70 1n3r s ARG 102 Ca 0.02 -1.71 -0.08 0.00 -0.47 0.00 0.00 55.73 53.49 1n3r s ARG 102 Cb -0.15 -1.99 0.00 0.00 -0.57 0.00 0.00 34.95 32.24 1n3r s ARG 102 CO -0.07 0.11 0.52 -0.25 -1.08 0.00 0.00 175.30 174.53 1n3r n ASP 103 N -1.02 -1.90 -4.72 -2.89 8.00 -0.84 -4.93 116.55 108.25 1n3r n ASP 103 Ca -0.04 -1.04 -0.41 0.00 0.71 0.00 0.00 54.79 54.01 1n3r n ASP 103 Cb 0.62 -2.97 -0.04 0.00 -0.02 0.00 0.00 41.12 38.71 1n3r n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n3r s ILE 104 N -3.81 4.86 0.02 0.53 1.01 -0.15 -4.81 121.20 118.86 1n3r s ILE 104 Ca 0.17 1.78 -0.30 0.00 0.00 0.00 0.00 60.65 62.30 1n3r s ILE 104 Cb -0.07 -4.19 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 1n3r s ILE 104 CO 0.89 0.24 1.73 -0.89 0.00 0.00 0.00 174.94 176.91 1n3r s THR 105 N 0.64 3.19 -0.39 2.92 2.01 -1.26 -0.94 115.64 121.80 1n3r s THR 105 Ca 0.44 0.45 0.03 0.00 0.31 0.00 0.00 61.69 62.92 1n3r s THR 105 Cb -0.20 -3.29 0.11 0.00 0.01 0.00 0.00 72.50 69.13 1n3r s THR 105 CO 0.24 -0.02 0.13 -0.22 -0.69 0.00 0.00 174.62 174.06 1n3r s LEU 106 N 3.48 3.97 -0.26 4.42 0.20 -0.99 -4.81 118.68 124.69 1n3r s LEU 106 Ca 0.77 -2.34 -0.19 0.00 0.69 0.00 0.00 54.13 53.06 1n3r s LEU 106 Cb -0.38 -1.43 -0.02 0.00 -0.43 0.00 0.00 46.19 43.92 1n3r s LEU 106 CO 0.33 -0.33 0.57 0.42 -0.29 0.00 0.00 176.35 177.05 1n3r s THR 107 N 0.66 5.03 0.11 3.68 -4.23 -1.26 -1.62 115.64 118.01 1n3r s THR 107 Ca 0.13 1.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.67 1n3r s THR 107 Cb -0.21 -3.88 -0.01 0.00 1.34 0.00 0.00 72.50 69.74 1n3r s THR 107 CO -0.08 0.06 0.11 -0.24 -0.54 0.00 0.00 174.62 173.93 1n3r n SER 108 N 5.60 -0.30 -3.82 3.99 2.88 -0.42 -4.22 113.62 117.33 1n3r n SER 108 Ca -0.02 -1.70 -0.14 0.00 -1.33 0.00 0.00 58.87 55.68 1n3r n SER 108 Cb 0.49 0.64 -0.15 0.00 -0.75 0.00 0.00 64.21 64.45 1n3r n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n3r s THR 109 N -2.48 -0.02 -0.00 2.46 2.01 -1.26 -0.88 115.64 115.48 1n3r s THR 109 Ca 0.12 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 1n3r s THR 109 Cb 0.00 -0.05 -0.06 0.00 0.01 0.00 0.00 72.50 72.40 1n3r s THR 109 CO 0.09 0.05 1.56 0.00 -0.69 0.00 0.00 174.62 175.62 1n3r n GLU 111 N 6.04 0.04 0.00 0.00 0.28 0.10 0.49 120.64 127.60 1n3r n GLU 111 Ca 0.15 0.02 0.12 0.00 -0.16 0.00 0.00 57.16 57.29 1n3r n GLU 111 Cb 0.42 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 31.93 1n3r n GLU 111 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1n3r n SER 112 N -1.48 2.61 0.00 -1.84 3.41 -1.26 -4.50 113.62 110.56 1n3r n SER 112 Ca 0.07 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 1n3r n SER 112 Cb 0.32 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1n3r n SER 112 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1n3r n HIS 113 N 0.92 0.00 -2.46 7.33 8.25 -1.19 -5.02 115.22 123.05 1n3r n HIS 113 Ca 0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.40 1n3r n HIS 113 Cb 0.54 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.65 1n3r n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1n3r n PHE 114 N 0.00 -1.08 -4.01 4.41 3.01 0.18 -4.99 117.46 114.99 1n3r n PHE 114 Ca 0.00 0.07 -0.28 0.00 1.01 0.00 0.00 57.45 58.25 1n3r n PHE 114 Cb 0.00 -3.91 -0.05 0.00 -0.01 0.00 0.00 39.48 35.52 1n3r n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1n3r s VAL 115 N -3.01 4.90 0.28 -4.37 1.01 -1.22 -4.80 120.40 113.18 1n3r s VAL 115 Ca 0.04 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 1n3r s VAL 115 Cb -0.02 -3.46 -0.13 0.00 0.00 0.00 0.00 36.38 32.77 1n3r s VAL 115 CO 0.05 -0.01 1.31 0.41 0.00 0.00 0.00 175.10 176.86 1n3r n THR 116 N -0.11 1.42 -4.29 3.92 -1.04 -1.26 -0.03 114.28 112.89 1n3r n THR 116 Ca -0.07 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.05 61.27 1n3r n THR 116 Cb 0.53 -1.41 -0.16 0.00 -1.82 0.00 0.00 70.33 67.46 1n3r n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1n3r s ILE 117 N -0.53 1.78 -0.19 12.58 1.01 -0.05 -1.26 121.20 134.55 1n3r s ILE 117 Ca 0.63 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 60.49 1n3r s ILE 117 Cb -0.64 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1n3r s ILE 117 CO 0.55 0.50 -0.15 -0.62 0.00 0.00 0.00 174.94 175.22 1n3r s ASP 118 N 1.18 3.56 0.08 3.58 2.15 -0.11 -1.30 116.67 125.81 1n3r s ASP 118 Ca -0.00 -0.54 0.01 0.00 0.43 0.00 0.00 52.55 52.45 1n3r s ASP 118 Cb -0.14 -1.57 -0.00 0.00 -0.30 0.00 0.00 42.92 40.91 1n3r s ASP 118 CO -0.07 0.01 0.08 0.61 -0.17 0.00 0.00 175.17 175.63 1n3r n GLY 119 N 4.54 3.48 2.90 2.66 0.00 -0.64 0.11 105.19 118.25 1n3r n GLY 119 Ca -0.20 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 1n3r n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n3r s LYS 120 N -2.27 0.07 0.08 1.61 3.01 0.79 -2.36 119.74 120.66 1n3r s LYS 120 Ca 0.08 0.28 0.04 0.00 -1.01 0.00 0.00 55.97 55.37 1n3r s LYS 120 Cb 0.00 -0.15 -0.04 0.00 -1.01 0.00 0.00 37.83 36.64 1n3r s LYS 120 CO 0.06 -0.13 0.00 0.00 0.51 0.00 0.00 175.35 175.79 1n3r s ALA 121 N 0.92 3.30 -0.22 5.17 0.00 -0.11 -0.53 121.76 130.28 1n3r s ALA 121 Ca -0.07 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 1n3r s ALA 121 Cb -0.10 -1.23 0.07 0.00 0.00 0.00 0.00 23.12 21.86 1n3r s ALA 121 CO -0.04 0.70 0.02 0.99 0.00 0.00 0.00 175.76 177.42 1n3r s THR 122 N -1.28 0.89 -0.04 0.00 2.01 0.78 -0.97 115.64 117.02 1n3r s THR 122 Ca 0.25 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1n3r s THR 122 Cb -0.12 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 1n3r s THR 122 CO 0.17 -0.25 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.08 1n3r s VAL 123 N 1.68 3.56 -0.03 3.82 1.01 0.27 -1.49 120.40 129.22 1n3r s VAL 123 Ca -0.01 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 1n3r s VAL 123 Cb -0.18 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.75 1n3r s VAL 123 CO -0.10 0.53 0.31 0.00 0.00 0.00 0.00 175.10 175.84 1n3r s ALA 124 N -0.86 -0.77 0.12 5.51 0.00 -0.73 0.10 121.76 125.13 1n3r s ALA 124 Ca 0.14 0.41 -0.20 0.00 0.00 0.00 0.00 51.96 52.31 1n3r s ALA 124 Cb -0.11 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.04 1n3r s ALA 124 CO 0.03 -0.24 0.49 1.52 0.00 0.00 0.00 175.76 177.57 1n3r s TYR 125 N -1.08 -0.37 -0.39 0.00 1.13 -0.81 -0.12 117.35 115.71 1n3r s TYR 125 Ca -0.11 0.16 -0.10 0.00 -1.41 0.00 0.00 57.07 55.60 1n3r s TYR 125 Cb -0.05 0.38 0.05 0.00 -1.10 0.00 0.00 41.96 41.25 1n3r s TYR 125 CO 0.04 -0.74 0.23 0.42 -2.51 0.00 0.00 175.55 172.98 1n3r s ILE 126 N -3.53 4.38 0.17 -3.49 1.01 -0.51 -0.99 121.20 118.25 1n3r s ILE 126 Ca 0.01 -1.11 -0.33 0.00 0.00 0.00 0.00 60.65 59.21 1n3r s ILE 126 Cb 0.00 -3.55 -0.15 0.00 0.01 0.00 0.00 42.46 38.77 1n3r s ILE 126 CO -0.10 -0.35 1.33 -2.65 0.00 0.00 0.00 174.94 173.17 1n3r n PRO 127 N 4.96 1.57 0.00 2.79 -0.02 -1.26 -4.86 135.00 138.18 1n3r n PRO 127 Ca -0.11 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1n3r n PRO 127 Cb 0.44 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1n3r n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1n3r n LYS 128 N 2.25 0.00 -0.00 -0.52 4.81 -1.26 -4.68 118.16 118.75 1n3r n LYS 128 Ca 0.15 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.65 1n3r n LYS 128 Cb 0.26 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.23 1n3r n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1n3r n ASP 129 N -0.85 1.32 -4.02 3.14 8.00 -1.26 -4.85 116.55 118.04 1n3r n ASP 129 Ca 0.00 -0.41 -0.11 0.00 0.71 0.00 0.00 54.79 54.98 1n3r n ASP 129 Cb 0.00 1.28 -0.11 0.00 -0.02 0.00 0.00 41.12 42.27 1n3r n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1n3r s SER 130 N -2.78 0.54 -0.25 -2.24 1.04 -1.26 -0.79 113.70 107.96 1n3r s SER 130 Ca 0.00 -0.53 -0.04 0.00 0.48 0.00 0.00 55.95 55.86 1n3r s SER 130 Cb 0.09 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1n3r s SER 130 CO 0.51 -0.26 -0.01 -0.69 0.98 0.00 0.00 173.24 173.78 1n3r s VAL 131 N -1.43 3.47 0.39 5.02 1.01 -0.44 -4.78 120.40 123.64 1n3r s VAL 131 Ca -0.13 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 1n3r s VAL 131 Cb -0.10 -2.69 -0.10 0.00 0.00 0.00 0.00 36.38 33.49 1n3r s VAL 131 CO -0.00 0.26 0.96 -0.51 0.00 0.00 0.00 175.10 175.81 1n3r s ILE 132 N 1.45 4.27 -0.01 2.22 2.07 -1.26 -1.72 121.20 128.22 1n3r s ILE 132 Ca 0.04 1.60 -0.30 0.00 -1.41 0.00 0.00 60.65 60.58 1n3r s ILE 132 Cb -0.16 -3.76 -0.06 0.00 0.13 0.00 0.00 42.46 38.61 1n3r s ILE 132 CO -0.02 -0.12 1.64 -0.83 -1.91 0.00 0.00 174.94 173.71 1n3r s GLY 133 N -1.93 1.57 0.14 1.50 0.00 -0.90 -4.91 107.32 102.79 1n3r s GLY 133 Ca 0.57 1.02 -0.26 0.00 0.00 0.00 0.00 44.72 46.06 1n3r s GLY 133 CO 0.18 2.97 1.29 1.04 0.00 0.00 0.00 173.10 178.58 1n3r n LEU 134 N 6.60 -0.87 -0.08 0.66 4.77 -1.26 -0.33 117.00 126.49 1n3r n LEU 134 Ca 0.17 1.48 0.21 0.00 -0.03 0.00 0.00 56.01 57.85 1n3r n LEU 134 Cb 0.42 -0.20 0.66 0.00 -2.33 0.00 0.00 43.42 41.98 1n3r n LEU 134 CO 0.62 -1.21 1.21 0.77 -1.33 0.00 0.00 177.39 177.45 1n3r h SER 135 N 0.00 0.08 -0.92 -1.43 4.64 -2.00 -0.71 113.55 113.21 1n3r h SER 135 Ca 0.14 0.01 0.12 0.00 -0.47 0.00 0.00 61.79 61.59 1n3r h SER 135 Cb 0.35 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 62.34 1n3r h SER 135 CO -0.79 0.04 0.55 0.11 -0.87 0.00 0.00 176.83 175.87 1n3r h LYS 136 N 0.09 0.82 -0.53 4.77 1.79 -1.05 0.47 116.57 122.93 1n3r h LYS 136 Ca 0.33 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.75 1n3r h LYS 136 Cb 1.17 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 31.61 1n3r h LYS 136 CO -0.03 0.54 0.35 0.82 -1.08 0.00 0.00 179.45 180.05 1n3r h ILE 137 N 0.85 1.13 0.20 1.86 2.04 -1.20 0.51 117.51 122.89 1n3r h ILE 137 Ca 0.47 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 66.08 1n3r h ILE 137 Cb 0.52 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1n3r h ILE 137 CO -0.29 0.13 -0.15 0.78 0.00 0.00 0.00 178.15 178.62 1n3r h ASN 138 N 0.71 -0.38 -0.56 1.72 2.35 -0.66 -1.43 115.58 117.34 1n3r h ASN 138 Ca 0.20 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 56.02 1n3r h ASN 138 Cb -0.07 0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 1n3r h ASN 138 CO -0.05 -0.23 0.31 0.03 -1.65 0.00 0.00 177.43 175.84 1n3r h ARG 139 N -0.35 0.59 -0.18 0.81 3.08 0.46 -2.05 114.38 116.73 1n3r h ARG 139 Ca -0.01 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1n3r h ARG 139 Cb 0.31 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1n3r h ARG 139 CO -0.01 0.39 -0.05 0.82 -1.07 0.00 0.00 179.97 180.05 1n3r h ILE 140 N 0.61 0.81 -0.69 2.04 2.04 0.26 0.45 117.51 123.02 1n3r h ILE 140 Ca 0.24 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.19 1n3r h ILE 140 Cb 0.09 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 1n3r h ILE 140 CO -0.13 0.00 0.34 0.58 0.00 0.00 0.00 178.15 178.94 1n3r h VAL 141 N -0.01 0.85 0.00 1.67 2.07 -0.63 0.60 116.25 120.81 1n3r h VAL 141 Ca 0.09 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1n3r h VAL 141 Cb 0.14 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1n3r h VAL 141 CO -0.19 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.51 1n3r n GLN 142 N -4.87 0.13 0.06 1.57 1.13 -0.80 -1.81 117.38 112.78 1n3r n GLN 142 Ca 0.10 0.23 -0.12 0.00 -1.94 0.00 0.00 57.00 55.27 1n3r n GLN 142 Cb 0.26 -1.69 -0.09 0.00 0.11 0.00 0.00 30.24 28.83 1n3r n GLN 142 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1n3r h PHE 143 N 0.00 -0.19 0.00 1.08 3.57 0.13 -3.05 116.94 118.49 1n3r h PHE 143 Ca 0.00 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 1n3r h PHE 143 Cb 0.48 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1n3r h PHE 143 CO 0.00 0.24 -0.60 0.74 -2.23 0.00 0.00 178.31 176.46 1n3r h PHE 144 N -0.70 0.00 0.00 0.41 0.04 -1.54 -3.11 116.94 112.05 1n3r h PHE 144 Ca -0.02 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1n3r h PHE 144 Cb 0.51 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 1n3r h PHE 144 CO 0.07 0.60 -0.10 0.00 -0.60 0.00 0.00 178.31 178.27 1n3r h ALA 145 N 1.40 1.26 -0.58 2.45 0.00 -1.42 -3.20 119.26 119.16 1n3r h ALA 145 Ca -0.01 -0.10 -0.73 0.00 0.00 0.00 0.00 54.91 54.08 1n3r h ALA 145 Cb 1.35 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.01 1n3r h ALA 145 CO 0.08 0.13 2.53 1.04 0.00 0.00 0.00 179.25 183.03 1n3r n GLN 146 N -3.59 4.51 -3.64 0.00 1.13 -1.15 -4.03 117.38 110.60 1n3r n GLN 146 Ca -0.02 -3.34 -0.11 0.00 -1.94 0.00 0.00 57.00 51.59 1n3r n GLN 146 Cb 0.23 -2.64 -0.05 0.00 0.11 0.00 0.00 30.24 27.89 1n3r n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1n3r s ARG 147 N -0.87 1.03 -0.07 -1.09 0.52 -1.21 -0.99 118.95 116.26 1n3r s ARG 147 Ca 0.56 -0.62 -0.30 0.00 -0.52 0.00 0.00 55.73 54.85 1n3r s ARG 147 Cb 0.19 0.45 -0.06 0.00 0.52 0.00 0.00 34.95 36.05 1n3r s ARG 147 CO -0.09 -0.39 1.73 -2.14 0.02 0.00 0.00 175.30 174.43 1n3r s PRO 148 N -3.46 4.07 0.39 3.54 0.02 -1.26 -3.98 135.00 134.31 1n3r s PRO 148 Ca 0.01 2.18 0.07 0.00 0.02 0.00 0.00 61.00 63.28 1n3r s PRO 148 Cb 0.01 -4.04 -0.08 0.00 0.02 0.00 0.00 34.50 30.41 1n3r s PRO 148 CO -0.10 -0.99 0.01 -0.65 -0.33 0.00 0.00 177.00 174.95 1n3r s GLN 149 N 4.31 1.90 -0.17 5.54 -1.52 0.13 -4.63 119.66 125.21 1n3r s GLN 149 Ca 0.77 -2.07 -0.02 0.00 -1.95 0.00 0.00 55.36 52.09 1n3r s GLN 149 Cb -0.34 -1.52 0.05 0.00 -0.22 0.00 0.00 33.01 30.98 1n3r s GLN 149 CO 0.32 -0.06 0.00 0.08 -0.25 0.00 0.00 175.29 175.38 1n3r s VAL 150 N -2.79 0.73 0.30 1.09 1.01 -1.26 -0.72 120.40 118.76 1n3r s VAL 150 Ca 0.35 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1n3r s VAL 150 Cb 0.09 -1.10 0.36 0.00 0.00 0.00 0.00 36.38 35.73 1n3r s VAL 150 CO 0.17 -0.06 1.61 -0.61 0.00 0.00 0.00 175.10 176.21 1n3r h GLN 151 N 8.20 0.09 -0.50 2.72 4.15 -1.98 0.20 115.11 127.97 1n3r h GLN 151 Ca -0.19 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.24 1n3r h GLN 151 Cb 1.11 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.76 1n3r h GLN 151 CO 0.35 0.06 0.31 0.93 -1.93 0.00 0.00 178.83 178.55 1n3r h GLU 152 N 0.09 0.62 -0.26 1.69 3.07 -1.98 -1.97 114.58 115.84 1n3r h GLU 152 Ca 0.58 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 59.31 1n3r h GLU 152 Cb 1.21 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 1n3r h GLU 152 CO -0.79 0.41 -0.20 -0.09 -1.40 0.00 0.00 179.01 176.93 1n3r h ARG 153 N 0.63 0.60 -0.49 2.33 2.43 -1.19 -3.15 114.38 115.54 1n3r h ARG 153 Ca 0.19 -0.30 0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1n3r h ARG 153 Cb -0.02 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 1n3r h ARG 153 CO -0.07 0.88 0.17 1.25 -1.51 0.00 0.00 179.97 180.69 1n3r h LEU 154 N 0.32 0.16 -1.12 3.80 5.85 -0.57 -1.30 115.31 122.44 1n3r h LEU 154 Ca 0.05 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1n3r h LEU 154 Cb 0.75 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1n3r h LEU 154 CO 0.05 0.12 0.60 0.74 -0.34 0.00 0.00 178.44 179.62 1n3r h THR 155 N 0.34 1.03 -0.34 1.05 2.02 -1.37 -2.33 112.91 113.30 1n3r h THR 155 Ca 0.24 -0.35 -0.14 0.00 0.77 0.00 0.00 66.41 66.93 1n3r h THR 155 Cb 0.26 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1n3r h THR 155 CO -0.25 0.18 -0.32 1.56 0.37 0.00 0.00 175.52 177.07 1n3r h GLN 156 N 1.01 0.82 -0.81 6.66 1.08 -1.29 -2.56 115.11 120.02 1n3r h GLN 156 Ca 0.42 -0.42 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1n3r h GLN 156 Cb 0.28 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 1n3r h GLN 156 CO -0.17 1.06 0.49 1.96 -0.95 0.00 0.00 178.83 181.22 1n3r h GLN 157 N 0.61 1.10 -0.44 1.46 4.20 -0.75 -0.84 115.11 120.45 1n3r h GLN 157 Ca 0.06 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1n3r h GLN 157 Cb 0.90 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1n3r h GLN 157 CO 0.08 0.78 0.25 0.82 -0.67 0.00 0.00 178.83 180.08 1n3r h ILE 158 N 1.11 1.15 0.23 2.54 1.08 -1.42 -0.85 117.51 121.36 1n3r h ILE 158 Ca 0.29 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 1n3r h ILE 158 Cb -0.04 0.61 -0.00 0.00 -3.07 0.00 0.00 36.82 34.32 1n3r h ILE 158 CO -0.05 0.16 -0.14 0.25 -0.69 0.00 0.00 178.15 177.67 1n3r h LEU 159 N 0.57 -0.37 -0.65 1.44 5.85 -0.94 -0.58 115.31 120.64 1n3r h LEU 159 Ca 0.16 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.02 1n3r h LEU 159 Cb 0.04 0.11 -0.12 0.00 0.37 0.00 0.00 40.66 41.05 1n3r h LEU 159 CO -0.03 -0.22 -0.26 0.40 -0.34 0.00 0.00 178.44 177.99 1n3r h ILE 160 N -0.35 0.22 -0.17 4.05 1.08 -1.18 0.18 117.51 121.34 1n3r h ILE 160 Ca -0.03 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.49 1n3r h ILE 160 Cb 0.28 0.22 -0.06 0.00 -3.07 0.00 0.00 36.82 34.20 1n3r h ILE 160 CO 0.03 0.00 -0.19 0.00 -0.69 0.00 0.00 178.15 177.30 1n3r h ALA 161 N 1.32 -0.09 -0.40 1.87 0.00 -1.09 -0.74 119.26 120.12 1n3r h ALA 161 Ca 0.28 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1n3r h ALA 161 Cb 0.54 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1n3r h ALA 161 CO -0.70 -0.63 0.04 -0.07 0.00 0.00 0.00 179.25 177.88 1n3r h LEU 162 N -0.22 0.58 -1.16 0.00 3.38 0.25 -1.15 115.31 117.00 1n3r h LEU 162 Ca 0.11 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1n3r h LEU 162 Cb 0.38 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1n3r h LEU 162 CO -0.30 0.63 -0.01 1.56 0.09 0.00 0.00 178.44 180.41 1n3r h GLN 163 N 0.60 0.57 0.37 1.13 4.20 -0.07 -2.03 115.11 119.89 1n3r h GLN 163 Ca 0.13 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1n3r h GLN 163 Cb 0.32 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1n3r h GLN 163 CO 0.01 0.60 -0.18 1.15 -0.67 0.00 0.00 178.83 179.74 1n3r h THR 164 N 0.54 0.16 -0.76 -0.54 2.02 -0.43 -1.70 112.91 112.20 1n3r h THR 164 Ca 0.11 -0.68 0.05 0.00 0.77 0.00 0.00 66.41 66.67 1n3r h THR 164 Cb 0.37 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 1n3r h THR 164 CO 0.01 0.04 0.50 -0.07 0.37 0.00 0.00 175.52 176.37 1n3r h LEU 165 N -1.09 0.76 0.00 2.58 3.38 -1.25 -2.08 115.31 117.60 1n3r h LEU 165 Ca -0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1n3r h LEU 165 Cb 0.45 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1n3r h LEU 165 CO 0.08 0.51 -0.32 0.18 0.09 0.00 0.00 178.44 178.98 1n3r n LEU 166 N -4.47 0.69 -1.57 1.67 4.77 -0.77 -4.95 117.00 112.37 1n3r n LEU 166 Ca 0.11 0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 56.32 1n3r n LEU 166 Cb 0.17 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1n3r n LEU 166 CO 0.34 -0.09 -0.17 0.61 -1.33 0.00 0.00 177.39 176.75 1n3r n GLY 167 N 1.35 -0.19 3.09 -0.72 0.00 -0.71 -4.66 105.19 103.35 1n3r n GLY 167 Ca 0.05 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 1n3r n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n3r s THR 168 N -2.69 0.05 -0.52 2.61 2.01 -0.78 -4.95 115.64 111.38 1n3r s THR 168 Ca 0.01 -0.44 0.24 0.00 0.31 0.00 0.00 61.69 61.81 1n3r s THR 168 Cb -0.00 -0.38 0.21 0.00 0.01 0.00 0.00 72.50 72.34 1n3r s THR 168 CO 0.01 -0.24 1.50 0.78 -0.69 0.00 0.00 174.62 175.97 1n3r h ASN 169 N 4.82 0.00 -0.07 3.53 2.35 -1.93 -3.39 115.58 120.88 1n3r h ASN 169 Ca -0.29 -0.04 -0.64 0.00 -0.55 0.00 0.00 56.30 54.78 1n3r h ASN 169 Cb 1.19 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.58 1n3r h ASN 169 CO 0.40 0.02 2.42 0.59 -1.65 0.00 0.00 177.43 179.22 1n3r n ASN 170 N -2.62 3.01 -4.02 5.81 3.02 -1.26 -2.25 115.26 116.95 1n3r n ASN 170 Ca 0.04 -2.73 -0.16 0.00 -0.03 0.00 0.00 54.58 51.69 1n3r n ASN 170 Cb 0.49 -1.33 -0.13 0.00 -0.61 0.00 0.00 39.78 38.20 1n3r n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n3r s VAL 171 N 4.96 0.59 -0.01 2.41 1.01 -1.25 -1.42 120.40 126.69 1n3r s VAL 171 Ca 0.55 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1n3r s VAL 171 Cb 0.13 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.96 1n3r s VAL 171 CO 0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 175.10 175.08 1n3r s ALA 172 N -0.58 0.54 0.05 5.51 0.00 0.83 -1.71 121.76 126.40 1n3r s ALA 172 Ca -0.01 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.74 1n3r s ALA 172 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1n3r s ALA 172 CO 0.00 0.12 -0.15 0.08 0.00 0.00 0.00 175.76 175.82 1n3r s VAL 173 N -0.09 1.15 -0.14 0.00 1.01 -0.66 -1.78 120.40 119.91 1n3r s VAL 173 Ca 0.02 -1.09 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 1n3r s VAL 173 Cb -0.03 -1.06 0.05 0.00 0.00 0.00 0.00 36.38 35.34 1n3r s VAL 173 CO -0.00 -0.04 0.35 -0.55 0.00 0.00 0.00 175.10 174.86 1n3r s SER 174 N -1.29 -0.40 -0.00 3.32 0.15 -0.55 -1.53 113.70 113.40 1n3r s SER 174 Ca 0.01 0.73 0.05 0.00 0.70 0.00 0.00 55.95 57.45 1n3r s SER 174 Cb -0.08 0.66 -0.02 0.00 -1.71 0.00 0.00 66.02 64.87 1n3r s SER 174 CO 0.02 -0.16 -0.17 -0.63 1.20 0.00 0.00 173.24 173.49 1n3r s ILE 175 N 0.94 1.36 -0.22 6.45 1.01 -0.33 -0.16 121.20 130.26 1n3r s ILE 175 Ca -0.06 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.78 1n3r s ILE 175 Cb -0.07 -1.15 0.06 0.00 0.01 0.00 0.00 42.46 41.31 1n3r s ILE 175 CO -0.07 0.33 -0.04 -0.62 0.00 0.00 0.00 174.94 174.54 1n3r s ASP 176 N -0.55 3.51 0.07 3.58 2.15 0.31 -1.77 116.67 123.98 1n3r s ASP 176 Ca 0.06 -1.02 0.01 0.00 0.43 0.00 0.00 52.55 52.03 1n3r s ASP 176 Cb -0.07 -1.04 -0.04 0.00 -0.30 0.00 0.00 42.92 41.47 1n3r s ASP 176 CO -0.00 -0.23 -0.05 0.00 -0.17 0.00 0.00 175.17 174.71 1n3r s ALA 177 N 1.51 0.74 -0.23 3.66 0.00 -0.23 -0.15 121.76 127.05 1n3r s ALA 177 Ca -0.04 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 1n3r s ALA 177 Cb -0.18 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 1n3r s ALA 177 CO -0.07 -0.27 0.03 0.08 0.00 0.00 0.00 175.76 175.53 1n3r s VAL 178 N -3.48 3.98 -0.34 0.00 1.01 0.31 -0.78 120.40 121.10 1n3r s VAL 178 Ca 0.07 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 1n3r s VAL 178 Cb 0.05 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 1n3r s VAL 178 CO -0.06 0.38 0.57 -1.00 0.00 0.00 0.00 175.10 174.98 1n3r s HIS 179 N 1.45 3.18 -1.92 5.22 3.76 -1.26 -0.93 115.29 124.79 1n3r s HIS 179 Ca 0.05 0.29 0.17 0.00 -0.15 0.00 0.00 55.06 55.42 1n3r s HIS 179 Cb -0.15 -3.00 1.01 0.00 1.11 0.00 0.00 32.58 31.56 1n3r s HIS 179 CO 0.01 -0.55 1.45 0.66 -0.85 0.00 0.00 174.74 175.46 1n3r n TYR 180 N 5.85 0.00 0.69 1.40 4.02 -0.39 -1.07 117.16 127.67 1n3r n TYR 180 Ca -0.03 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.98 1n3r n TYR 180 Cb 0.49 -0.04 0.27 0.00 -0.02 0.00 0.00 39.34 40.04 1n3r n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3r n VAL 182 N -1.98 0.96 -0.10 0.00 0.31 -0.23 -4.41 118.33 112.88 1n3r n VAL 182 Ca 0.04 -0.55 -0.20 0.00 -0.01 0.00 0.00 64.34 63.62 1n3r n VAL 182 Cb 0.41 -0.71 -0.10 0.00 -0.91 0.00 0.00 33.84 32.53 1n3r n VAL 182 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1n3r n LYS 183 N -2.59 0.55 0.00 5.55 4.81 -0.58 0.13 118.16 126.03 1n3r n LYS 183 Ca -0.24 0.56 0.14 0.00 -0.87 0.00 0.00 58.31 57.90 1n3r n LYS 183 Cb 0.93 -1.73 0.65 0.00 0.02 0.00 0.00 35.03 34.90 1n3r n LYS 183 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n3r n ALA 184 N -3.48 2.44 -3.62 3.14 0.00 -0.10 -3.93 120.51 114.95 1n3r n ALA 184 Ca -0.30 -0.13 -0.07 0.00 0.00 0.00 0.00 53.44 52.95 1n3r n ALA 184 Cb 0.63 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 1n3r n ALA 184 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1n3r s ARG 185 N -2.85 1.08 6.80 0.00 3.03 -1.24 -4.97 118.95 120.80 1n3r s ARG 185 Ca 0.19 -0.51 0.00 0.00 2.03 0.00 0.00 55.73 57.44 1n3r s ARG 185 Cb 0.19 0.43 0.00 0.00 -1.03 0.00 0.00 34.95 34.54 1n3r s ARG 185 CO 0.51 -0.49 0.00 0.41 -1.13 0.00 0.00 175.30 174.61 1n3r n GLY 186 N -0.37 2.03 0.27 3.88 0.00 -1.26 -3.00 105.19 106.75 1n3r n GLY 186 Ca -0.08 -0.57 0.15 0.00 0.00 0.00 0.00 46.02 45.52 1n3r n GLY 186 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1n3r h ILE 187 N 0.00 0.24 -6.10 -0.61 6.09 -1.86 -3.48 117.51 111.80 1n3r h ILE 187 Ca 0.00 -0.58 -0.31 0.00 -1.37 0.00 0.00 64.86 62.59 1n3r h ILE 187 Cb 0.00 1.47 0.04 0.00 0.47 0.00 0.00 36.82 38.79 1n3r h ILE 187 CO 0.00 0.07 -0.70 0.54 -3.07 0.00 0.00 178.15 175.00 1n3r n ARG 188 N -3.27 -1.36 -3.31 2.19 1.74 -0.96 -4.94 116.66 106.75 1n3r n ARG 188 Ca -0.00 0.87 -0.45 0.00 -0.77 0.00 0.00 57.85 57.50 1n3r n ARG 188 Cb 0.29 -4.12 -0.06 0.00 -1.02 0.00 0.00 32.46 27.54 1n3r n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1n3r s ASP 189 N -3.18 6.17 0.27 0.55 -1.08 0.12 -4.91 116.67 114.61 1n3r s ASP 189 Ca 0.19 -1.37 0.24 0.00 -0.52 0.00 0.00 52.55 51.09 1n3r s ASP 189 Cb -0.07 -2.22 0.99 0.00 -1.46 0.00 0.00 42.92 40.17 1n3r s ASP 189 CO 0.83 -0.78 1.72 0.00 0.52 0.00 0.00 175.17 177.47 1n3r n ALA 190 N 5.48 1.67 -0.05 3.66 0.00 -1.26 -4.00 120.51 126.00 1n3r n ALA 190 Ca -0.12 0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 1n3r n ALA 190 Cb 0.43 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.41 1n3r n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n3r n THR 191 N -2.27 0.67 -1.32 0.00 -2.24 -1.26 -5.06 114.28 102.80 1n3r n THR 191 Ca 0.02 -0.38 -0.35 0.00 -2.27 0.00 0.00 64.05 61.08 1n3r n THR 191 Cb 0.23 -0.79 0.10 0.00 -2.10 0.00 0.00 70.33 67.78 1n3r n THR 191 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1n3r n SER 192 N -2.46 1.05 -3.79 3.42 3.41 -1.26 -5.06 113.62 108.93 1n3r n SER 192 Ca -0.17 0.66 -0.13 0.00 -0.26 0.00 0.00 58.87 58.98 1n3r n SER 192 Cb 0.79 -1.48 -0.09 0.00 -0.26 0.00 0.00 64.21 63.17 1n3r n SER 192 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n3r s ALA 193 N -1.86 -0.64 -0.11 7.33 0.00 -1.26 -4.80 121.76 120.42 1n3r s ALA 193 Ca 0.75 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.87 1n3r s ALA 193 Cb -0.33 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1n3r s ALA 193 CO 0.48 -0.25 -0.07 0.99 0.00 0.00 0.00 175.76 176.91 1n3r s THR 194 N -1.43 3.61 -0.11 0.00 2.01 0.04 -4.95 115.64 114.81 1n3r s THR 194 Ca -0.13 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1n3r s THR 194 Cb -0.06 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.94 1n3r s THR 194 CO 0.03 0.55 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.39 1n3r s THR 195 N -0.19 1.99 -0.03 -0.82 2.01 -1.26 -1.07 115.64 116.27 1n3r s THR 195 Ca 0.02 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.10 1n3r s THR 195 Cb -0.13 -1.74 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 1n3r s THR 195 CO 0.03 0.54 -0.15 0.42 -0.69 0.00 0.00 174.62 174.77 1n3r s THR 196 N 0.54 1.19 -0.02 -0.82 -4.23 -0.73 -4.99 115.64 106.58 1n3r s THR 196 Ca -0.14 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.78 1n3r s THR 196 Cb -0.17 -1.02 0.01 0.00 1.34 0.00 0.00 72.50 72.66 1n3r s THR 196 CO 0.05 0.35 -0.07 0.42 -0.54 0.00 0.00 174.62 174.82 1n3r s THR 197 N -0.07 0.62 -0.27 3.99 -4.23 -1.26 -1.19 115.64 113.24 1n3r s THR 197 Ca -0.00 -0.27 0.02 0.00 -1.18 0.00 0.00 61.69 60.26 1n3r s THR 197 Cb -0.09 -0.57 0.07 0.00 1.34 0.00 0.00 72.50 73.26 1n3r s THR 197 CO 0.01 0.20 -0.04 -0.44 -0.54 0.00 0.00 174.62 173.81 1n3r s SER 198 N 0.26 4.22 -0.11 3.99 0.01 -0.58 -5.01 113.70 116.48 1n3r s SER 198 Ca -0.04 -1.47 -0.06 0.00 1.31 0.00 0.00 55.95 55.69 1n3r s SER 198 Cb -0.08 -1.35 -0.04 0.00 0.21 0.00 0.00 66.02 64.76 1n3r s SER 198 CO 0.00 -0.26 0.13 -0.76 0.41 0.00 0.00 173.24 172.75 1n3r s LEU 199 N 1.23 4.29 0.11 2.44 1.43 -1.26 -1.65 118.68 125.27 1n3r s LEU 199 Ca -0.02 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.54 1n3r s LEU 199 Cb -0.19 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1n3r s LEU 199 CO -0.08 0.40 -0.10 -0.83 0.23 0.00 0.00 176.35 175.97 1n3r s GLY 200 N -1.06 0.91 0.00 -3.19 0.00 -0.69 -4.59 107.32 98.70 1n3r s GLY 200 Ca 0.15 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.62 1n3r s GLY 200 CO 0.05 -1.33 0.00 0.61 0.00 0.00 0.00 173.10 172.42 1n3r n GLY 201 N 0.42 2.89 0.33 0.20 0.00 -0.95 -1.89 105.19 106.18 1n3r n GLY 201 Ca -0.15 -0.25 0.16 0.00 0.00 0.00 0.00 46.02 45.78 1n3r n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3r h LEU 202 N 0.00 0.00 -1.57 0.99 3.38 -1.94 0.27 115.31 116.43 1n3r h LEU 202 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1n3r h LEU 202 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1n3r h LEU 202 CO 0.00 0.00 -0.23 -0.26 0.09 0.00 0.00 178.44 178.04 1n3r h PHE 203 N 0.00 0.00 0.01 1.13 0.04 -1.65 0.29 116.94 116.77 1n3r h PHE 203 Ca 0.11 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.50 1n3r h PHE 203 Cb 0.49 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.58 1n3r h PHE 203 CO 0.00 0.23 -2.37 1.17 -0.60 0.00 0.00 178.31 176.73 1n3r n LYS 204 N -3.91 0.67 0.01 1.51 4.81 0.40 -3.56 118.16 118.09 1n3r n LYS 204 Ca -0.02 0.13 -0.07 0.00 -0.87 0.00 0.00 58.31 57.49 1n3r n LYS 204 Cb 0.31 -1.55 -0.12 0.00 0.02 0.00 0.00 35.03 33.69 1n3r n LYS 204 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1n3r h SER 205 N 0.01 0.00 -3.61 3.14 4.64 -0.60 -3.44 113.55 113.69 1n3r h SER 205 Ca -0.54 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.10 1n3r h SER 205 Cb 2.00 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.92 1n3r h SER 205 CO -0.03 0.92 -0.25 -0.55 -0.87 0.00 0.00 176.83 176.05 1n3r s SER 206 N -6.22 6.19 0.41 4.97 0.15 0.10 -4.94 113.70 114.37 1n3r s SER 206 Ca -0.03 -0.41 0.14 0.00 0.70 0.00 0.00 55.95 56.36 1n3r s SER 206 Cb 0.09 -2.21 1.01 0.00 -1.71 0.00 0.00 66.02 63.19 1n3r s SER 206 CO 0.82 -0.44 1.91 -0.61 1.20 0.00 0.00 173.24 176.12 1n3r h GLN 207 N 8.57 0.45 -0.08 5.44 5.75 -1.86 0.20 115.11 133.58 1n3r h GLN 207 Ca -0.28 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.12 1n3r h GLN 207 Cb 1.13 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.58 1n3r h GLN 207 CO 0.74 0.30 -0.22 -0.97 -2.65 0.00 0.00 178.83 176.02 1n3r h ASN 208 N 0.47 0.33 0.81 -0.69 -1.24 -1.92 -2.43 115.58 110.92 1n3r h ASN 208 Ca 0.39 -0.60 -0.11 0.00 0.71 0.00 0.00 56.30 56.69 1n3r h ASN 208 Cb 0.84 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.77 1n3r h ASN 208 CO -0.14 0.88 -0.51 0.74 -1.29 0.00 0.00 177.43 177.11 1n3r h THR 209 N -0.20 1.13 0.11 -3.57 2.02 -1.64 -1.29 112.91 109.48 1n3r h THR 209 Ca -0.01 -1.89 -0.01 0.00 0.77 0.00 0.00 66.41 65.28 1n3r h THR 209 Cb 0.84 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1n3r h THR 209 CO 0.05 0.50 -0.05 -0.09 0.37 0.00 0.00 175.52 176.29 1n3r h ARG 210 N 0.00 -0.14 -0.13 6.66 2.43 -0.62 -2.69 114.38 119.88 1n3r h ARG 210 Ca -0.01 0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 1n3r h ARG 210 Cb 1.05 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1n3r h ARG 210 CO 0.07 0.03 -0.62 0.45 -1.51 0.00 0.00 179.97 178.38 1n3r h HIS 211 N -0.28 0.88 -0.94 2.20 3.86 -1.37 -1.70 115.15 117.80 1n3r h HIS 211 Ca -0.01 -0.38 0.19 0.00 -1.16 0.00 0.00 60.37 59.00 1n3r h HIS 211 Cb 0.23 -0.14 -0.08 0.00 1.06 0.00 0.00 27.41 28.48 1n3r h HIS 211 CO -0.03 1.19 0.60 0.93 0.86 0.00 0.00 177.93 181.49 1n3r h GLU 212 N 0.33 0.57 0.20 2.45 5.08 -1.28 -0.44 114.58 121.49 1n3r h GLU 212 Ca -0.04 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1n3r h GLU 212 Cb 1.26 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1n3r h GLU 212 CO 0.13 0.38 -0.10 0.35 -1.00 0.00 0.00 179.01 178.77 1n3r h PHE 213 N 0.59 -0.25 -0.97 4.33 3.57 -1.38 -3.27 116.94 119.55 1n3r h PHE 213 Ca 0.50 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.12 1n3r h PHE 213 Cb 1.00 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.74 1n3r h PHE 213 CO -0.00 0.05 0.62 -0.07 -2.23 0.00 0.00 178.31 176.67 1n3r h LEU 214 N -1.00 0.87 0.08 0.59 3.38 -0.94 -2.59 115.31 115.70 1n3r h LEU 214 Ca -0.03 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1n3r h LEU 214 Cb 0.41 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1n3r h LEU 214 CO 0.05 0.46 -0.17 -0.09 0.09 0.00 0.00 178.44 178.77 1n3r h ARG 215 N 0.93 -0.32 -0.30 1.13 2.43 -1.22 -1.75 114.38 115.28 1n3r h ARG 215 Ca 0.48 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 1n3r h ARG 215 Cb 0.52 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1n3r h ARG 215 CO -0.25 -0.21 0.00 0.00 -1.51 0.00 0.00 179.97 178.00 1n3r n ALA 216 N -2.47 2.04 -2.82 2.80 0.00 -0.98 -4.78 120.51 114.29 1n3r n ALA 216 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.11 1n3r n ALA 216 Cb 0.22 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 1n3r n ALA 216 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n3r s VAL 217 N -1.53 5.24 -0.18 0.00 1.01 -0.66 -4.82 120.40 119.46 1n3r s VAL 217 Ca 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1n3r s VAL 217 Cb 0.00 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1n3r s VAL 217 CO 0.00 -0.15 0.10 -1.14 0.00 0.00 0.00 175.10 173.92 1n3r n ARG 218 N -0.62 -3.10 -4.18 2.72 0.00 -1.26 -5.06 116.66 105.16 1n3r n ARG 218 Ca -0.05 2.51 -0.11 0.00 -0.00 0.00 0.00 57.85 60.20 1n3r n ARG 218 Cb 0.54 -4.19 -0.10 0.00 0.00 0.00 0.00 32.46 28.71 1n3r n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1n3r s HIS 219 N -0.84 0.92 -0.10 -0.14 3.76 -1.26 -5.15 115.29 112.47 1n3r s HIS 219 Ca -0.12 -0.98 -0.00 0.00 -0.15 0.00 0.00 55.06 53.81 1n3r s HIS 219 Cb 0.01 -0.54 0.02 0.00 1.11 0.00 0.00 32.58 33.18 1n3r s HIS 219 CO 0.60 -0.21 -0.07 -1.58 -0.85 0.00 0.00 174.74 172.62 1n3r s HIS 220 N -3.69 1.34 0.00 1.40 2.46 -1.26 -4.92 115.29 110.62 1n3r s HIS 220 Ca 0.15 -0.61 0.00 0.00 0.47 0.00 0.00 55.06 55.07 1n3r s HIS 220 Cb 0.06 -1.12 0.00 0.00 -0.13 0.00 0.00 32.58 31.39 1n3r s HIS 220 CO -0.03 -0.44 0.00 0.09 -2.47 0.00 0.00 174.74 171.89