#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 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.71 0.00 -3.86 2.46 4.77 -1.26 -5.03 117.00 113.37 1n3r n LEU 3 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1n3r n LEU 3 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1n3r n LEU 3 CO 0.00 0.00 -0.36 -0.55 -1.33 0.00 0.00 177.39 175.15 1n3r s SER 4 N 1.00 0.05 0.15 -1.43 0.15 -1.26 -5.07 113.70 107.29 1n3r s SER 4 Ca 0.00 -0.00 -0.17 0.00 0.70 0.00 0.00 55.95 56.48 1n3r s SER 4 Cb 0.00 -0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.33 1n3r s SER 4 CO 0.00 -0.01 1.75 0.11 1.20 0.00 0.00 173.24 176.29 1n3r h LYS 5 N 6.28 0.24 -0.08 5.44 1.57 -2.01 -1.82 116.57 126.18 1n3r h LYS 5 Ca -0.27 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.42 1n3r h LYS 5 Cb 1.20 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1n3r h LYS 5 CO 0.51 0.16 -0.24 0.93 -0.57 0.00 0.00 179.45 180.23 1n3r h GLU 6 N 0.24 0.31 -0.95 3.15 3.07 -1.97 -2.84 114.58 115.58 1n3r h GLU 6 Ca 0.14 -0.22 0.20 0.00 -0.50 0.00 0.00 59.36 58.98 1n3r h GLU 6 Cb 0.12 0.04 -0.11 0.00 -0.84 0.00 0.00 28.75 27.96 1n3r h GLU 6 CO -0.15 0.84 0.52 0.00 -1.40 0.00 0.00 179.01 178.82 1n3r h ALA 7 N 0.46 1.56 0.10 3.43 0.00 -1.89 -0.16 119.26 122.77 1n3r h ALA 7 Ca -0.01 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1n3r h ALA 7 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1n3r h ALA 7 CO 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 179.25 179.09 1n3r h ALA 8 N 1.66 -0.14 -0.51 0.00 0.00 -1.29 -0.25 119.26 118.73 1n3r h ALA 8 Ca 0.56 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.43 1n3r h ALA 8 Cb 0.95 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1n3r h ALA 8 CO -0.43 -0.49 0.22 -0.07 0.00 0.00 0.00 179.25 178.48 1n3r h LEU 9 N -0.30 0.28 -0.09 0.00 3.38 -0.98 0.07 115.31 117.68 1n3r h LEU 9 Ca -0.01 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1n3r h LEU 9 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1n3r h LEU 9 CO 0.02 0.19 0.05 0.58 0.09 0.00 0.00 178.44 179.38 1n3r h VAL 10 N 0.43 1.07 -0.00 1.22 2.07 -0.99 -0.14 116.25 119.92 1n3r h VAL 10 Ca 0.24 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1n3r h VAL 10 Cb 0.20 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1n3r h VAL 10 CO -0.20 0.06 -0.18 -0.74 0.02 0.00 0.00 177.57 176.53 1n3r h HIS 11 N 0.06 -0.47 -0.94 1.57 -0.00 -0.51 -1.53 115.15 113.35 1n3r h HIS 11 Ca 0.03 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.45 1n3r h HIS 11 Cb 0.06 0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.63 1n3r h HIS 11 CO -0.05 -0.26 0.61 0.93 -0.00 0.00 0.00 177.93 179.17 1n3r h GLU 12 N -0.29 1.14 -0.46 5.26 5.08 -0.90 -0.71 114.58 123.69 1n3r h GLU 12 Ca 0.06 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1n3r h GLU 12 Cb 0.36 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1n3r h GLU 12 CO -0.17 0.75 0.28 0.00 -1.00 0.00 0.00 179.01 178.88 1n3r h ALA 13 N 1.45 1.63 0.17 3.43 0.00 -0.22 -0.10 119.26 125.63 1n3r h ALA 13 Ca 0.37 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.95 1n3r h ALA 13 Cb 0.02 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.63 1n3r h ALA 13 CO -0.11 0.33 -1.33 -0.07 0.00 0.00 0.00 179.25 178.06 1n3r h LEU 14 N 0.63 0.57 -0.69 0.00 3.38 -0.48 -3.26 115.31 115.46 1n3r h LEU 14 Ca 0.17 -0.91 0.04 0.00 0.09 0.00 0.00 57.88 57.26 1n3r h LEU 14 Cb -0.03 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1n3r h LEU 14 CO -0.03 1.62 0.42 0.58 0.09 0.00 0.00 178.44 181.11 1n3r h VAL 15 N -0.13 1.05 0.00 1.22 2.07 -0.93 0.16 116.25 119.69 1n3r h VAL 15 Ca -0.26 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1n3r h VAL 15 Cb 1.90 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1n3r h VAL 15 CO 0.16 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.90 1n3r h ALA 16 N 1.32 1.00 -0.02 1.67 0.00 -1.12 -1.85 119.26 120.26 1n3r h ALA 16 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1n3r h ALA 16 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1n3r h ALA 16 CO -0.13 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 176.99 1n3r n ARG 17 N -2.33 2.39 -3.32 0.00 3.00 -0.10 -4.99 116.66 111.30 1n3r n ARG 17 Ca -0.00 -1.94 -0.24 0.00 -0.00 0.00 0.00 57.85 55.67 1n3r n ARG 17 Cb 0.12 -1.21 0.04 0.00 0.00 0.00 0.00 32.46 31.40 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 -0.78 -0.52 0.64 5.14 0.00 -0.34 -4.87 105.19 104.46 1n3r n GLY 18 Ca 0.07 0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.26 2.94 -4.83 0.99 4.77 -0.34 -5.00 117.00 111.27 1n3r n LEU 19 Ca -0.05 -2.03 -0.34 0.00 -0.03 0.00 0.00 56.01 53.56 1n3r n LEU 19 Cb 0.58 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1n3r n LEU 19 CO 0.56 0.73 0.51 -1.61 -1.33 0.00 0.00 177.39 176.24 1n3r s GLU 20 N -1.06 4.17 0.08 3.23 0.41 -1.25 -4.81 118.70 119.47 1n3r s GLU 20 Ca 0.23 0.90 -0.31 0.00 -0.41 0.00 0.00 54.97 55.39 1n3r s GLU 20 Cb 0.13 -2.46 -0.08 0.00 -1.78 0.00 0.00 34.13 29.93 1n3r s GLU 20 CO 0.15 0.15 1.60 0.99 -0.49 0.00 0.00 175.26 177.66 1n3r s THR 21 N -1.93 3.06 -0.90 3.63 2.01 -1.26 -4.82 115.64 115.43 1n3r s THR 21 Ca 0.54 0.57 -0.22 0.00 0.31 0.00 0.00 61.69 62.89 1n3r s THR 21 Cb -0.12 -3.37 -0.23 0.00 0.01 0.00 0.00 72.50 68.80 1n3r s THR 21 CO 0.17 0.01 2.44 -2.65 -0.69 0.00 0.00 174.62 173.90 1n3r n PRO 22 N 5.26 0.21 -4.48 4.92 -0.02 -1.26 -4.90 135.00 134.73 1n3r n PRO 22 Ca 0.15 -0.10 -0.25 0.00 -2.02 0.00 0.00 63.50 61.27 1n3r n PRO 22 Cb 0.41 -1.87 -0.10 0.00 -0.02 0.00 0.00 33.50 31.92 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 7.14 2.76 -0.04 2.45 1.02 -1.26 -5.15 118.68 125.60 1n3r s LEU 23 Ca 1.24 -1.11 0.04 0.00 0.02 0.00 0.00 54.13 54.33 1n3r s LEU 23 Cb -0.83 -1.11 -0.02 0.00 0.02 0.00 0.00 46.19 44.24 1n3r s LEU 23 CO 0.44 -0.15 -0.16 -0.60 0.02 0.00 0.00 176.35 175.89 1n3r s ARG 24 N -3.61 2.43 -0.48 1.70 3.52 -1.26 -5.06 118.95 116.19 1n3r s ARG 24 Ca 0.32 -0.74 -0.46 0.00 -0.13 0.00 0.00 55.73 54.73 1n3r s ARG 24 Cb 0.00 -2.32 -0.19 0.00 -1.56 0.00 0.00 34.95 30.88 1n3r s ARG 24 CO 0.17 0.61 1.73 -2.30 -0.81 0.00 0.00 175.30 174.70 1n3r n PRO 25 N 2.32 0.12 0.03 5.12 -0.02 -1.26 -4.79 135.00 136.52 1n3r n PRO 25 Ca -0.17 0.04 0.22 0.00 -2.02 0.00 0.00 63.50 61.57 1n3r n PRO 25 Cb 0.52 -1.57 0.73 0.00 -0.02 0.00 0.00 33.50 33.16 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 6.10 0.00 0.00 0.52 0.11 -2.05 -3.45 132.00 133.23 1n3r h PRO 26 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1n3r h PRO 26 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1n3r h PRO 26 CO 1.00 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 179.07 1n3r n VAL 27 N -3.94 0.00 -3.51 3.15 0.31 -1.26 -4.52 118.33 108.56 1n3r n VAL 27 Ca 0.10 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.08 1n3r n VAL 27 Cb 0.67 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.54 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 3.56 -1.22 3.52 -3.43 -1.26 -5.00 115.29 111.46 1n3r s HIS 28 Ca 0.00 0.85 -0.18 0.00 -0.80 0.00 0.00 55.06 54.93 1n3r s HIS 28 Cb 0.00 -2.21 0.09 0.00 -1.43 0.00 0.00 32.58 29.03 1n3r s HIS 28 CO 0.00 0.45 1.59 -1.21 -2.00 0.00 0.00 174.74 173.58 1n3r s GLU 29 N -2.12 3.93 0.13 -0.38 2.02 -1.26 -4.96 118.70 116.07 1n3r s GLU 29 Ca 0.37 -2.00 -0.31 0.00 0.02 0.00 0.00 54.97 53.05 1n3r s GLU 29 Cb -0.14 -5.37 -0.10 0.00 0.10 0.00 0.00 34.13 28.62 1n3r s GLU 29 CO 0.19 -2.11 1.82 1.41 0.02 0.00 0.00 175.26 176.59 1n3r s MET 30 N 3.64 4.14 -0.47 1.61 -2.45 -1.26 -4.81 119.30 119.70 1n3r s MET 30 Ca 0.49 2.59 -0.46 0.00 -1.25 0.00 0.00 55.69 57.06 1n3r s MET 30 Cb 0.01 -3.55 -0.20 0.00 1.25 0.00 0.00 34.83 32.35 1n3r s MET 30 CO 0.03 -0.83 1.56 -3.47 1.05 0.00 0.00 175.02 173.36 1n3r n ASP 31 N 5.52 1.13 -0.22 1.11 2.03 -1.26 -4.76 116.55 120.10 1n3r n ASP 31 Ca 0.17 1.19 0.18 0.00 0.52 0.00 0.00 54.79 56.85 1n3r n ASP 31 Cb 0.38 -0.88 0.51 0.00 -0.72 0.00 0.00 41.12 40.41 1n3r n ASP 31 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1n3r h ASN 32 N 4.86 0.41 0.54 1.67 -1.24 -2.00 0.23 115.58 120.04 1n3r h ASN 32 Ca -0.44 0.04 -0.08 0.00 0.71 0.00 0.00 56.30 56.52 1n3r h ASN 32 Cb 1.37 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 40.37 1n3r h ASN 32 CO 0.96 0.18 -0.40 -0.33 -1.29 0.00 0.00 177.43 176.54 1n3r h GLU 33 N 0.41 0.00 0.04 6.67 5.08 -2.01 -2.78 114.58 121.99 1n3r h GLU 33 Ca 0.44 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.55 1n3r h GLU 33 Cb 1.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.33 1n3r h GLU 33 CO -0.16 0.40 -1.05 1.15 -1.00 0.00 0.00 179.01 178.35 1n3r h THR 34 N 0.00 1.37 -0.75 1.13 2.02 -0.91 -2.67 112.91 113.09 1n3r h THR 34 Ca -0.00 -2.49 -0.06 0.00 0.77 0.00 0.00 66.41 64.63 1n3r h THR 34 Cb 0.78 2.52 -0.03 0.00 -1.74 0.00 0.00 68.15 69.68 1n3r h THR 34 CO 0.05 0.75 0.25 0.03 0.37 0.00 0.00 175.52 176.97 1n3r h ARG 35 N 0.25 1.16 -0.14 6.66 3.08 -1.17 0.64 114.38 124.85 1n3r h ARG 35 Ca -0.11 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 1n3r h ARG 35 Cb 1.71 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.58 1n3r h ARG 35 CO 0.19 0.97 -0.01 0.87 -1.07 0.00 0.00 179.97 180.92 1n3r h LYS 36 N 1.12 0.26 -0.46 0.04 1.57 -1.53 -1.27 116.57 116.29 1n3r h LYS 36 Ca 0.25 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1n3r h LYS 36 Cb 0.28 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1n3r h LYS 36 CO -0.01 0.50 0.22 0.66 -0.57 0.00 0.00 179.45 180.25 1n3r h SER 37 N -0.01 0.57 -0.22 0.86 4.64 -1.23 0.30 113.55 118.46 1n3r h SER 37 Ca 0.04 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1n3r h SER 37 Cb 0.39 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1n3r h SER 37 CO 0.01 0.49 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.38 1n3r h LEU 38 N 0.64 0.39 -0.27 5.97 3.38 -0.64 -1.94 115.31 122.85 1n3r h LEU 38 Ca 0.16 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1n3r h LEU 38 Cb 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1n3r h LEU 38 CO -0.02 0.61 0.11 0.40 0.09 0.00 0.00 178.44 179.63 1n3r h ILE 39 N 0.16 1.18 -0.86 1.22 2.04 -0.54 -1.28 117.51 119.43 1n3r h ILE 39 Ca 0.06 -0.55 0.18 0.00 1.00 0.00 0.00 64.86 65.56 1n3r h ILE 39 Cb 0.41 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 1n3r h ILE 39 CO 0.01 0.18 0.57 0.00 0.00 0.00 0.00 178.15 178.91 1n3r h ALA 40 N 0.95 2.13 0.85 1.87 0.00 -0.36 0.99 119.26 125.69 1n3r h ALA 40 Ca 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1n3r h ALA 40 Cb 0.19 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1n3r h ALA 40 CO -0.01 -0.39 -0.41 0.78 0.00 0.00 0.00 179.25 179.23 1n3r h GLY 41 N 0.44 -1.19 0.14 0.00 0.00 -0.44 0.46 103.07 102.48 1n3r h GLY 41 Ca 0.44 0.44 0.10 0.00 0.00 0.00 0.00 47.33 48.31 1n3r h GLY 41 CO -0.16 -0.43 -0.01 0.45 0.00 0.00 0.00 176.54 176.39 1n3r h HIS 42 N -1.24 -0.05 -0.88 5.60 -0.00 -0.59 0.59 115.15 118.58 1n3r h HIS 42 Ca -0.12 0.04 0.11 0.00 -0.00 0.00 0.00 60.37 60.40 1n3r h HIS 42 Cb 0.87 0.10 -0.06 0.00 -0.00 0.00 0.00 27.41 28.32 1n3r h HIS 42 CO 0.01 -0.13 0.57 0.52 -0.00 0.00 0.00 177.93 178.90 1n3r h MET 43 N 0.11 0.80 -0.61 2.45 2.86 -0.69 0.06 114.93 119.91 1n3r h MET 43 Ca 0.26 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1n3r h MET 43 Cb 0.39 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1n3r h MET 43 CO -0.44 0.53 0.22 1.15 1.06 0.00 0.00 176.91 179.43 1n3r h THR 44 N 0.82 1.24 -0.23 2.22 2.02 0.13 -0.30 112.91 118.81 1n3r h THR 44 Ca 0.41 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 1n3r h THR 44 Cb 0.48 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1n3r h THR 44 CO -0.18 0.29 -0.09 -0.33 0.37 0.00 0.00 175.52 175.58 1n3r h GLU 45 N 0.85 0.37 -0.04 6.66 4.39 -0.05 -0.25 114.58 126.51 1n3r h GLU 45 Ca 0.20 -0.09 -0.18 0.00 0.34 0.00 0.00 59.36 59.63 1n3r h GLU 45 Cb 0.24 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1n3r h GLU 45 CO -0.01 0.48 -0.69 0.82 -1.16 0.00 0.00 179.01 178.44 1n3r h ILE 46 N 0.35 1.36 -0.55 3.13 2.04 -0.55 -0.89 117.51 122.41 1n3r h ILE 46 Ca 0.07 -2.03 -0.03 0.00 1.00 0.00 0.00 64.86 63.87 1n3r h ILE 46 Cb 0.39 2.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 1n3r h ILE 46 CO 0.02 0.61 0.23 0.24 0.00 0.00 0.00 178.15 179.25 1n3r h MET 47 N 0.13 0.78 -0.17 2.37 2.86 -0.81 0.47 114.93 120.57 1n3r h MET 47 Ca -0.07 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.37 1n3r h MET 47 Cb 1.36 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 1n3r h MET 47 CO 0.14 0.63 -0.26 1.96 1.06 0.00 0.00 176.91 180.44 1n3r h GLN 48 N 0.78 0.32 0.00 1.72 4.20 -0.89 -1.30 115.11 119.93 1n3r h GLN 48 Ca 0.19 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1n3r h GLN 48 Cb 0.13 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1n3r h GLN 48 CO -0.02 0.57 0.00 -0.07 -0.67 0.00 0.00 178.83 178.64 1n3r h LEU 49 N 0.29 0.00 -3.19 1.46 3.38 0.48 -1.89 115.31 115.84 1n3r h LEU 49 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1n3r h LEU 49 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1n3r h LEU 49 CO 0.04 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.75 1n3r n LEU 50 N -2.97 4.99 -1.54 1.67 4.77 -0.27 -4.92 117.00 118.73 1n3r n LEU 50 Ca 0.01 -2.52 -0.19 0.00 -0.03 0.00 0.00 56.01 53.28 1n3r n LEU 50 Cb 0.32 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.72 1n3r n LEU 50 CO 0.27 0.73 -0.18 0.59 -1.33 0.00 0.00 177.39 177.47 1n3r n ASN 51 N 0.93 -4.95 -4.68 -1.43 3.02 -0.71 -4.93 115.26 102.51 1n3r n ASN 51 Ca 0.26 0.46 -0.42 0.00 -0.03 0.00 0.00 54.58 54.85 1n3r n ASN 51 Cb 0.98 -4.42 -0.03 0.00 -0.61 0.00 0.00 39.78 35.71 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 -4.48 4.25 -0.82 3.41 1.43 -0.57 -4.94 118.68 116.96 1n3r s LEU 52 Ca 0.00 1.68 -0.25 0.00 -1.03 0.00 0.00 54.13 54.53 1n3r s LEU 52 Cb 0.00 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 1n3r s LEU 52 CO 0.00 -0.56 1.77 -0.62 0.23 0.00 0.00 176.35 177.16 1n3r s ASP 53 N 1.38 5.52 0.00 2.29 2.15 -1.26 -4.51 116.67 122.24 1n3r s ASP 53 Ca 0.52 -0.49 0.05 0.00 0.43 0.00 0.00 52.55 53.06 1n3r s ASP 53 Cb -0.22 -2.55 0.26 0.00 -0.30 0.00 0.00 42.92 40.11 1n3r s ASP 53 CO 0.19 -2.33 1.04 0.18 -0.17 0.00 0.00 175.17 174.08 1n3r n LEU 54 N 12.26 0.00 0.24 -1.34 4.77 -1.26 -2.20 117.00 129.47 1n3r n LEU 54 Ca 0.29 0.33 0.11 0.00 -0.03 0.00 0.00 56.01 56.71 1n3r n LEU 54 Cb 0.49 -0.33 0.61 0.00 -2.33 0.00 0.00 43.42 41.87 1n3r n LEU 54 CO 0.65 -0.27 0.90 0.00 -1.33 0.00 0.00 177.39 177.34 1n3r h ALA 55 N 2.24 1.19 -2.78 -1.18 0.00 -1.95 -3.26 119.26 113.52 1n3r h ALA 55 Ca 0.00 -0.16 -0.53 0.00 0.00 0.00 0.00 54.91 54.22 1n3r h ALA 55 Cb 0.06 -0.03 0.08 0.00 0.00 0.00 0.00 17.79 17.90 1n3r h ALA 55 CO 0.00 0.22 0.89 0.34 0.00 0.00 0.00 179.25 180.70 1n3r s ASP 56 N -6.21 6.40 0.00 0.00 2.15 -0.94 -4.85 116.67 113.22 1n3r s ASP 56 Ca -0.02 2.91 0.00 0.00 0.43 0.00 0.00 52.55 55.88 1n3r s ASP 56 Cb 0.12 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1n3r s ASP 56 CO 0.61 -0.90 0.94 -0.90 -0.17 0.00 0.00 175.17 174.75 1n3r n ASP 57 N 2.40 0.00 -0.08 -0.34 5.75 -1.26 -1.43 116.55 121.60 1n3r n ASP 57 Ca 0.09 0.44 -0.06 0.00 -0.01 0.00 0.00 54.79 55.25 1n3r n ASP 57 Cb 0.37 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 40.00 1n3r n ASP 57 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1n3r n SER 58 N -1.44 1.85 0.29 -1.12 2.88 -1.26 -4.46 113.62 110.36 1n3r n SER 58 Ca 0.00 0.53 0.17 0.00 -1.33 0.00 0.00 58.87 58.24 1n3r n SER 58 Cb 0.05 -0.83 0.87 0.00 -0.75 0.00 0.00 64.21 63.55 1n3r n SER 58 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1n3r h LEU 59 N -1.00 0.00 -0.92 2.46 3.38 -1.80 -3.31 115.31 114.13 1n3r h LEU 59 Ca -0.00 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.23 1n3r h LEU 59 Cb 0.68 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.28 1n3r h LEU 59 CO -0.00 0.05 0.25 -0.03 0.09 0.00 0.00 178.44 178.80 1n3r h MET 60 N 0.00 0.15 -0.02 1.13 4.05 -1.29 -0.81 114.93 118.14 1n3r h MET 60 Ca -0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1n3r h MET 60 Cb 0.28 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1n3r h MET 60 CO 0.01 0.10 -0.13 0.39 0.23 0.00 0.00 176.91 177.51 1n3r n GLU 61 N -5.27 1.72 0.06 0.39 -0.58 -1.25 -4.49 120.64 111.22 1n3r n GLU 61 Ca 0.24 -1.27 -0.11 0.00 -0.42 0.00 0.00 57.16 55.59 1n3r n GLU 61 Cb 0.78 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 30.13 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 3.11 0.48 -0.81 2.62 2.02 -1.34 0.75 112.91 119.74 1n3r h THR 62 Ca 0.00 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.37 1n3r h THR 62 Cb 0.74 0.48 -0.12 0.00 -1.74 0.00 0.00 68.15 67.51 1n3r h THR 62 CO 0.00 0.00 0.25 -0.65 0.37 0.00 0.00 175.52 175.49 1n3r h PRO 63 N -0.35 0.29 0.10 6.66 0.11 -1.79 0.17 132.00 137.18 1n3r h PRO 63 Ca 0.06 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 1n3r h PRO 63 Cb 0.43 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1n3r h PRO 63 CO -0.20 0.19 -0.05 1.25 -0.21 0.00 0.00 178.00 178.98 1n3r h HIS 64 N 0.30 -0.12 0.07 0.65 -0.00 -1.65 -2.33 115.15 112.07 1n3r h HIS 64 Ca 0.48 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.86 1n3r h HIS 64 Cb 0.88 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 28.32 1n3r h HIS 64 CO -0.23 0.02 -0.09 0.00 -0.00 0.00 0.00 177.93 177.63 1n3r h ARG 65 N -0.24 -0.18 -0.88 5.26 3.08 0.66 0.58 114.38 122.65 1n3r h ARG 65 Ca -0.01 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.17 1n3r h ARG 65 Cb 0.20 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.22 1n3r h ARG 65 CO 0.02 -0.12 0.57 0.82 -1.07 0.00 0.00 179.97 180.19 1n3r h ILE 66 N -0.19 0.89 -0.02 2.04 2.04 -0.75 0.34 117.51 121.85 1n3r h ILE 66 Ca 0.01 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1n3r h ILE 66 Cb 0.19 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1n3r h ILE 66 CO -0.04 0.14 -0.01 0.00 0.00 0.00 0.00 178.15 178.24 1n3r h ALA 67 N 1.58 0.03 -0.50 1.87 0.00 -0.91 0.34 119.26 121.67 1n3r h ALA 67 Ca 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1n3r h ALA 67 Cb 0.58 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1n3r h ALA 67 CO -0.19 -0.25 0.25 -0.22 0.00 0.00 0.00 179.25 178.84 1n3r h LYS 68 N -0.36 0.70 -0.09 0.00 3.11 -0.26 -2.32 116.57 117.36 1n3r h LYS 68 Ca 0.00 -0.08 -0.14 0.00 -2.81 0.00 0.00 60.65 57.63 1n3r h LYS 68 Cb 0.44 -0.14 0.01 0.00 -1.00 0.00 0.00 32.23 31.54 1n3r h LYS 68 CO 0.00 0.54 -0.48 1.98 -2.81 0.00 0.00 179.45 178.68 1n3r h MET 69 N 0.70 0.48 0.05 1.90 4.05 -0.19 -0.38 114.93 121.54 1n3r h MET 69 Ca 0.18 -0.40 -0.00 0.00 -0.28 0.00 0.00 59.70 59.20 1n3r h MET 69 Cb 0.06 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1n3r h MET 69 CO -0.03 1.03 -0.03 1.88 0.23 0.00 0.00 176.91 180.00 1n3r h TYR 70 N 0.04 -0.07 0.43 1.39 0.05 -0.81 -2.30 116.97 115.71 1n3r h TYR 70 Ca -0.04 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 1n3r h TYR 70 Cb 1.13 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.90 1n3r h TYR 70 CO 0.12 0.14 -0.21 0.28 -1.05 0.00 0.00 178.16 177.44 1n3r h VAL 71 N -0.27 0.12 0.00 -2.88 2.07 -1.51 -3.23 116.25 110.55 1n3r h VAL 71 Ca -0.01 -0.60 -0.12 0.00 0.82 0.00 0.00 66.70 66.79 1n3r h VAL 71 Cb 0.24 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1n3r h VAL 71 CO 0.01 0.03 -0.58 0.44 0.02 0.00 0.00 177.57 177.48 1n3r h ASP 72 N -1.12 0.00 0.00 0.57 3.32 -1.21 -3.39 116.42 114.59 1n3r h ASP 72 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1n3r h ASP 72 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1n3r h ASP 72 CO 0.10 0.58 0.00 -0.62 -1.72 0.00 0.00 179.24 177.58 1n3r n GLU 73 N -3.27 0.00 0.22 3.56 1.02 -0.91 -4.60 120.64 116.66 1n3r n GLU 73 Ca 0.01 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.28 1n3r n GLU 73 Cb 0.76 0.00 0.67 0.00 -0.02 0.00 0.00 31.44 32.85 1n3r n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1n3r h ILE 74 N 0.00 0.00 -0.11 -3.67 3.07 -1.69 -0.81 117.51 114.30 1n3r h ILE 74 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1n3r h ILE 74 Cb 0.00 0.54 0.00 0.00 -0.27 0.00 0.00 36.82 37.09 1n3r h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1n3r n PHE 75 N -2.45 0.26 0.29 0.16 3.72 -1.22 -2.39 117.46 115.84 1n3r n PHE 75 Ca -0.02 -0.72 0.14 0.00 -0.05 0.00 0.00 57.45 56.80 1n3r n PHE 75 Cb 0.19 -0.13 0.77 0.00 -0.94 0.00 0.00 39.48 39.37 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 0.72 0.00 0.35 4.37 4.64 -1.08 -0.08 113.55 122.47 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 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1n3r h SER 76 CO 0.04 0.00 -0.02 0.61 -0.87 0.00 0.00 176.83 176.60 1n3r n GLY 77 N -1.22 -1.12 0.07 -0.77 0.00 0.72 -3.37 105.19 99.51 1n3r n GLY 77 Ca -0.02 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.94 1n3r n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3r n LEU 78 N -1.12 0.51 -4.00 0.99 4.77 -0.04 -4.66 117.00 113.45 1n3r n LEU 78 Ca 0.17 0.56 -0.27 0.00 -0.03 0.00 0.00 56.01 56.45 1n3r n LEU 78 Cb 0.21 -0.42 -0.17 0.00 -2.33 0.00 0.00 43.42 40.71 1n3r n LEU 78 CO 0.21 -0.19 -0.47 -0.62 -1.33 0.00 0.00 177.39 174.99 1n3r s ASP 79 N -3.96 2.20 0.00 -1.43 2.15 -1.22 -5.01 116.67 109.41 1n3r s ASP 79 Ca 0.10 -0.36 0.09 0.00 0.43 0.00 0.00 52.55 52.81 1n3r s ASP 79 Cb 0.13 -0.95 0.51 0.00 -0.30 0.00 0.00 42.92 42.31 1n3r s ASP 79 CO 0.52 -0.02 0.96 -1.22 -0.17 0.00 0.00 175.17 175.24 1n3r n TYR 80 N 4.35 0.00 0.84 -5.34 4.02 -1.26 -1.99 117.16 117.79 1n3r n TYR 80 Ca -0.18 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.81 1n3r n TYR 80 Cb 0.51 0.00 0.47 0.00 -0.02 0.00 0.00 39.34 40.30 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 -0.77 2.00 0.56 -0.72 0.00 -1.26 -2.03 120.51 118.29 1n3r n ALA 81 Ca 0.06 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.48 1n3r n ALA 81 Cb 0.03 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.37 0.94 -4.67 0.00 3.02 -0.84 -5.01 115.26 107.32 1n3r n ASN 82 Ca 0.08 -0.97 -0.45 0.00 -0.03 0.00 0.00 54.58 53.21 1n3r n ASN 82 Cb 0.19 0.76 -0.03 0.00 -0.61 0.00 0.00 39.78 40.09 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 -0.79 2.24 -1.34 3.10 7.35 -0.86 -4.90 117.46 122.25 1n3r n PHE 83 Ca 0.04 0.36 -0.35 0.00 -0.76 0.00 0.00 57.45 56.73 1n3r n PHE 83 Cb 0.22 -2.50 0.10 0.00 0.35 0.00 0.00 39.48 37.65 1n3r n PHE 83 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1n3r n PRO 84 N 2.60 0.51 -2.51 -7.13 -0.04 -1.26 -4.92 135.00 122.24 1n3r n PRO 84 Ca 0.14 0.24 -0.43 0.00 -0.04 0.00 0.00 63.50 63.40 1n3r n PRO 84 Cb 0.30 -2.32 -0.02 0.00 -0.04 0.00 0.00 33.50 31.42 1n3r n PRO 84 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1n3r s LYS 85 N -3.54 4.14 -0.01 0.54 1.02 -1.26 -4.91 119.74 115.73 1n3r s LYS 85 Ca 0.75 1.40 -0.14 0.00 0.02 0.00 0.00 55.97 57.99 1n3r s LYS 85 Cb -0.34 -3.76 -0.06 0.00 -0.52 0.00 0.00 37.83 33.16 1n3r s LYS 85 CO 0.49 -0.81 0.39 0.42 -0.92 0.00 0.00 175.35 174.92 1n3r s ILE 86 N 3.65 5.05 -0.02 2.17 -1.09 -1.26 -4.98 121.20 124.73 1n3r s ILE 86 Ca 0.51 0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 59.73 1n3r s ILE 86 Cb -0.17 -3.70 0.01 0.00 -1.58 0.00 0.00 42.46 37.02 1n3r s ILE 86 CO 0.15 0.58 0.03 0.42 -1.23 0.00 0.00 174.94 174.89 1n3r s THR 87 N -1.08 -0.02 0.44 2.92 -4.23 -1.26 -5.11 115.64 107.30 1n3r s THR 87 Ca 0.23 0.09 0.03 0.00 -1.18 0.00 0.00 61.69 60.86 1n3r s THR 87 Cb -0.16 -0.06 -0.03 0.00 1.34 0.00 0.00 72.50 73.58 1n3r s THR 87 CO 0.13 0.04 0.06 -0.76 -0.54 0.00 0.00 174.62 173.55 1n3r s LEU 88 N 0.47 2.20 -0.04 4.79 1.43 -1.26 -2.59 118.68 123.68 1n3r s LEU 88 Ca -0.04 -1.62 -0.03 0.00 -1.03 0.00 0.00 54.13 51.42 1n3r s LEU 88 Cb -0.06 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.74 1n3r s LEU 88 CO -0.01 -0.83 0.10 0.27 0.23 0.00 0.00 176.35 176.11 1n3r s ILE 89 N -3.05 -0.01 0.23 -0.59 -4.36 -0.90 -4.97 121.20 107.55 1n3r s ILE 89 Ca 0.19 0.04 -0.30 0.00 -0.26 0.00 0.00 60.65 60.33 1n3r s ILE 89 Cb 0.03 -0.16 -0.15 0.00 1.25 0.00 0.00 42.46 43.43 1n3r s ILE 89 CO 0.10 0.02 0.94 1.21 0.24 0.00 0.00 174.94 177.45 1n3r n GLU 90 N 3.30 0.96 -1.38 0.37 2.13 -1.26 -2.12 120.64 122.63 1n3r n GLU 90 Ca -0.16 0.34 -0.39 0.00 0.66 0.00 0.00 57.16 57.61 1n3r n GLU 90 Cb 0.57 -1.66 -0.03 0.00 0.27 0.00 0.00 31.44 30.60 1n3r n GLU 90 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1n3r n ASN 91 N 1.61 8.47 0.32 4.31 5.15 0.77 -4.61 115.26 131.28 1n3r n ASN 91 Ca 0.13 -2.63 0.20 0.00 -0.60 0.00 0.00 54.58 51.69 1n3r n ASN 91 Cb 0.28 -1.55 1.06 0.00 -0.53 0.00 0.00 39.78 39.04 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 5.03 0.00 -0.19 1.20 1.57 -1.86 -1.52 116.57 120.80 1n3r h LYS 92 Ca 0.85 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.63 1n3r h LYS 92 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1n3r h LYS 92 CO 1.77 0.01 0.00 -1.33 -0.57 0.00 0.00 179.45 179.33 1n3r n MET 93 N -3.21 1.58 -4.31 3.15 2.81 -1.26 -4.92 117.12 110.96 1n3r n MET 93 Ca -0.02 -0.89 -0.33 0.00 -1.81 0.00 0.00 57.70 54.65 1n3r n MET 93 Cb 0.13 -1.30 -0.08 0.00 -0.71 0.00 0.00 33.22 31.26 1n3r n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1n3r n LYS 94 N 0.15 -1.40 -1.91 0.03 4.01 -0.57 -4.78 118.16 113.69 1n3r n LYS 94 Ca 0.13 0.17 -0.38 0.00 -0.51 0.00 0.00 58.31 57.71 1n3r n LYS 94 Cb 0.25 -4.07 -0.03 0.00 -0.51 0.00 0.00 35.03 30.67 1n3r n LYS 94 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1n3r s VAL 95 N -4.01 3.27 -0.23 -0.18 1.01 -1.26 -4.79 120.40 114.21 1n3r s VAL 95 Ca 0.23 0.17 0.15 0.00 0.00 0.00 0.00 61.98 62.52 1n3r s VAL 95 Cb -0.13 -3.68 0.73 0.00 0.00 0.00 0.00 36.38 33.30 1n3r s VAL 95 CO 0.98 -0.64 1.65 -0.90 0.00 0.00 0.00 175.10 176.20 1n3r n ASP 96 N 13.38 5.12 -4.25 3.32 5.75 -1.26 -4.13 116.55 134.48 1n3r n ASP 96 Ca 0.25 -2.99 -0.24 0.00 -0.01 0.00 0.00 54.79 51.80 1n3r n ASP 96 Cb 0.52 -0.65 -0.13 0.00 -1.03 0.00 0.00 41.12 39.83 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 -2.81 1.25 0.70 0.11 0.41 -1.26 -5.01 118.70 112.09 1n3r s GLU 97 Ca 0.51 -0.99 -0.16 0.00 -0.41 0.00 0.00 54.97 53.91 1n3r s GLU 97 Cb 0.40 -1.40 0.01 0.00 -1.78 0.00 0.00 34.13 31.35 1n3r s GLU 97 CO 0.13 0.35 1.19 0.00 -0.49 0.00 0.00 175.26 176.44 1n3r n MET 98 N 1.61 0.76 -5.00 1.61 0.00 -1.26 -4.59 117.12 110.24 1n3r n MET 98 Ca -0.18 0.32 -0.32 0.00 0.00 0.00 0.00 57.70 57.52 1n3r n MET 98 Cb 0.53 -2.43 -0.16 0.00 0.00 0.00 0.00 33.22 31.17 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 -1.65 2.55 -0.13 3.17 1.01 -0.49 -4.96 120.40 119.90 1n3r s VAL 99 Ca 0.78 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 1n3r s VAL 99 Cb -0.35 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.02 1n3r s VAL 99 CO 0.45 0.54 -0.10 -0.89 0.00 0.00 0.00 175.10 175.10 1n3r s THR 100 N 0.34 1.22 -0.28 3.92 2.01 -1.26 -2.14 115.64 119.45 1n3r s THR 100 Ca -0.15 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 1n3r s THR 100 Cb -0.17 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 1n3r s THR 100 CO 0.07 0.40 0.11 -0.69 -0.69 0.00 0.00 174.62 173.82 1n3r s VAL 101 N 1.63 4.50 0.28 3.82 1.01 0.46 -4.98 120.40 127.12 1n3r s VAL 101 Ca 0.05 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 61.89 1n3r s VAL 101 Cb -0.13 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1n3r s VAL 101 CO -0.09 0.23 -0.08 0.00 0.00 0.00 0.00 175.10 175.16 1n3r s ARG 102 N 1.62 2.04 -1.44 2.72 1.70 -1.26 -0.23 118.95 124.10 1n3r s ARG 102 Ca 0.06 -1.58 -0.10 0.00 -0.47 0.00 0.00 55.73 53.63 1n3r s ARG 102 Cb -0.16 -1.99 0.05 0.00 -0.57 0.00 0.00 34.95 32.28 1n3r s ARG 102 CO 0.05 0.33 1.02 -0.25 -1.08 0.00 0.00 175.30 175.37 1n3r n ASP 103 N -0.79 -4.76 -4.65 -2.89 8.00 -0.34 -4.93 116.55 106.17 1n3r n ASP 103 Ca -0.06 -0.71 -0.43 0.00 0.71 0.00 0.00 54.79 54.31 1n3r n ASP 103 Cb 0.60 -4.29 -0.02 0.00 -0.02 0.00 0.00 41.12 37.38 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 -3.35 4.01 -0.12 0.53 1.01 0.76 -4.71 121.20 119.33 1n3r s ILE 104 Ca 0.54 1.21 -0.36 0.00 0.00 0.00 0.00 60.65 62.04 1n3r s ILE 104 Cb -0.26 -3.83 -0.13 0.00 0.01 0.00 0.00 42.46 38.25 1n3r s ILE 104 CO 0.79 -0.16 1.80 0.41 0.00 0.00 0.00 174.94 177.78 1n3r n THR 105 N 5.58 0.43 -3.97 2.92 -1.04 -1.26 -0.46 114.28 116.49 1n3r n THR 105 Ca 0.15 -0.08 -0.30 0.00 -2.04 0.00 0.00 64.05 61.78 1n3r n THR 105 Cb 0.44 -1.60 -0.16 0.00 -1.82 0.00 0.00 70.33 67.19 1n3r n THR 105 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1n3r s LEU 106 N 3.54 2.49 -0.17 -4.42 0.20 -0.60 -4.76 118.68 114.96 1n3r s LEU 106 Ca 0.93 -1.07 -0.03 0.00 0.69 0.00 0.00 54.13 54.66 1n3r s LEU 106 Cb -0.82 -1.22 -0.02 0.00 -0.43 0.00 0.00 46.19 43.71 1n3r s LEU 106 CO 0.55 -0.20 -0.07 0.42 -0.29 0.00 0.00 176.35 176.76 1n3r s THR 107 N 1.38 3.45 0.31 3.68 -4.23 -1.26 -0.39 115.64 118.58 1n3r s THR 107 Ca -0.04 -0.50 -0.03 0.00 -1.18 0.00 0.00 61.69 59.94 1n3r s THR 107 Cb -0.18 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.16 1n3r s THR 107 CO -0.07 0.48 0.46 -0.24 -0.54 0.00 0.00 174.62 174.71 1n3r n SER 108 N 3.98 -1.30 -3.87 3.99 2.88 -0.42 -4.22 113.62 114.66 1n3r n SER 108 Ca -0.18 -2.62 -0.17 0.00 -1.33 0.00 0.00 58.87 54.58 1n3r n SER 108 Cb 0.52 2.37 -0.16 0.00 -0.75 0.00 0.00 64.21 66.20 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 -2.69 0.29 -0.01 2.46 2.01 -1.24 -0.88 115.64 115.57 1n3r s THR 109 Ca 0.24 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 1n3r s THR 109 Cb -0.01 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1n3r s THR 109 CO 0.17 0.14 0.93 0.00 -0.69 0.00 0.00 174.62 175.17 1n3r n GLU 111 N 3.85 0.52 -0.02 0.00 0.28 -0.08 -0.35 120.64 124.84 1n3r n GLU 111 Ca 0.05 0.02 -0.08 0.00 -0.16 0.00 0.00 57.16 56.98 1n3r n GLU 111 Cb 0.51 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.74 1n3r n GLU 111 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1n3r h SER 112 N 0.00 0.00 0.00 -1.84 4.64 -1.92 -3.41 113.55 111.02 1n3r h SER 112 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n3r h SER 112 Cb 0.03 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1n3r h SER 112 CO 0.00 1.00 0.00 1.41 -0.87 0.00 0.00 176.83 178.37 1n3r n HIS 113 N -3.05 0.00 -3.85 4.77 8.25 -1.18 -5.03 115.22 115.13 1n3r n HIS 113 Ca -0.16 -0.07 -0.32 0.00 -0.26 0.00 0.00 57.72 56.90 1n3r n HIS 113 Cb 1.05 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 32.17 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 -0.07 -1.72 -4.24 4.41 3.01 0.53 -4.97 117.46 114.41 1n3r n PHE 114 Ca 0.00 0.48 -0.14 0.00 1.01 0.00 0.00 57.45 58.79 1n3r n PHE 114 Cb 0.32 -3.40 -0.10 0.00 -0.01 0.00 0.00 39.48 36.29 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 -3.65 1.14 0.32 -4.37 1.01 -1.21 -4.91 120.40 108.72 1n3r s VAL 115 Ca 0.32 -1.99 -0.27 0.00 0.00 0.00 0.00 61.98 60.05 1n3r s VAL 115 Cb -0.13 -1.77 -0.13 0.00 0.00 0.00 0.00 36.38 34.35 1n3r s VAL 115 CO 0.89 -0.71 1.00 0.41 0.00 0.00 0.00 175.10 176.70 1n3r n THR 116 N -0.06 2.05 -3.72 3.92 -1.04 -1.26 -1.27 114.28 112.90 1n3r n THR 116 Ca -0.11 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.11 1n3r n THR 116 Cb 0.60 -1.02 -0.16 0.00 -1.82 0.00 0.00 70.33 67.93 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 -1.11 0.61 -0.33 12.58 1.01 -0.06 -2.11 121.20 131.78 1n3r s ILE 117 Ca 0.59 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 1n3r s ILE 117 Cb -0.67 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 40.52 1n3r s ILE 117 CO 0.60 -0.44 0.18 -0.62 0.00 0.00 0.00 174.94 174.66 1n3r s ASP 118 N 1.79 5.68 0.31 3.58 2.15 -0.92 -1.30 116.67 127.95 1n3r s ASP 118 Ca 0.04 -0.65 0.06 0.00 0.43 0.00 0.00 52.55 52.43 1n3r s ASP 118 Cb -0.17 -2.03 -0.02 0.00 -0.30 0.00 0.00 42.92 40.40 1n3r s ASP 118 CO -0.18 -0.26 0.23 0.61 -0.17 0.00 0.00 175.17 175.40 1n3r n GLY 119 N 5.01 3.09 2.96 2.66 0.00 0.47 -1.07 105.19 118.30 1n3r n GLY 119 Ca -0.13 -1.92 -0.15 0.00 0.00 0.00 0.00 46.02 43.82 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 -3.25 0.40 0.21 1.61 3.01 -0.35 -1.56 119.74 119.81 1n3r s LYS 120 Ca 0.32 -0.19 0.11 0.00 -1.01 0.00 0.00 55.97 55.20 1n3r s LYS 120 Cb 0.02 -0.38 -0.05 0.00 -1.01 0.00 0.00 37.83 36.41 1n3r s LYS 120 CO 0.23 0.10 -0.21 0.00 0.51 0.00 0.00 175.35 175.98 1n3r s ALA 121 N -0.16 2.45 -0.07 5.17 0.00 0.39 -1.53 121.76 128.02 1n3r s ALA 121 Ca 0.01 -1.68 -0.00 0.00 0.00 0.00 0.00 51.96 50.29 1n3r s ALA 121 Cb -0.02 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1n3r s ALA 121 CO -0.00 0.31 -0.03 0.99 0.00 0.00 0.00 175.76 177.03 1n3r s THR 122 N -2.11 0.54 -0.03 0.00 2.01 0.05 -0.17 115.64 115.92 1n3r s THR 122 Ca 0.23 -0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.25 1n3r s THR 122 Cb -0.06 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 1n3r s THR 122 CO 0.10 0.26 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.38 1n3r s VAL 123 N 1.50 1.85 0.01 3.82 1.01 0.68 -1.19 120.40 128.08 1n3r s VAL 123 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1n3r s VAL 123 Cb -0.13 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1n3r s VAL 123 CO -0.03 0.52 -0.02 0.00 0.00 0.00 0.00 175.10 175.56 1n3r s ALA 124 N -0.36 0.12 0.02 5.51 0.00 -0.30 -0.41 121.76 126.34 1n3r s ALA 124 Ca 0.04 -0.37 -0.26 0.00 0.00 0.00 0.00 51.96 51.36 1n3r s ALA 124 Cb -0.11 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.15 1n3r s ALA 124 CO 0.01 -0.08 0.59 1.52 0.00 0.00 0.00 175.76 177.80 1n3r s TYR 125 N -0.87 -0.53 -0.35 0.00 1.13 -0.91 -0.42 117.35 115.40 1n3r s TYR 125 Ca -0.09 0.74 -0.10 0.00 -1.41 0.00 0.00 57.07 56.21 1n3r s TYR 125 Cb -0.06 0.39 0.02 0.00 -1.10 0.00 0.00 41.96 41.21 1n3r s TYR 125 CO -0.01 -0.64 0.18 0.42 -2.51 0.00 0.00 175.55 172.99 1n3r s ILE 126 N -1.99 4.43 -0.04 -3.49 1.01 -1.01 -1.40 121.20 118.72 1n3r s ILE 126 Ca -0.08 -0.81 -0.36 0.00 0.00 0.00 0.00 60.65 59.40 1n3r s ILE 126 Cb -0.01 -3.43 -0.14 0.00 0.01 0.00 0.00 42.46 38.89 1n3r s ILE 126 CO 0.02 -0.16 1.65 -2.65 0.00 0.00 0.00 174.94 173.81 1n3r n PRO 127 N 4.96 1.68 0.00 2.79 -0.02 -1.26 -4.89 135.00 138.26 1n3r n PRO 127 Ca -0.12 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1n3r n PRO 127 Cb 0.46 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 4.62 0.00 0.10 -0.52 4.81 -1.26 -4.67 118.16 121.23 1n3r n LYS 128 Ca 0.21 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.74 1n3r n LYS 128 Cb 0.23 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.27 1n3r n LYS 128 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1n3r h ASP 129 N 0.00 0.00 -4.25 3.14 3.32 -1.89 -3.44 116.42 113.30 1n3r h ASP 129 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1n3r h ASP 129 Cb 0.00 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.32 1n3r h ASP 129 CO 0.00 0.13 -0.82 -0.44 -1.72 0.00 0.00 179.24 176.39 1n3r s SER 130 N -5.54 2.34 -0.14 6.45 0.01 -1.26 -0.16 113.70 115.39 1n3r s SER 130 Ca -0.00 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.66 1n3r s SER 130 Cb 0.09 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.19 1n3r s SER 130 CO 0.78 0.07 -0.20 -0.69 0.41 0.00 0.00 173.24 173.61 1n3r s VAL 131 N -1.05 1.94 0.56 3.43 1.01 -0.90 -4.68 120.40 120.70 1n3r s VAL 131 Ca 0.05 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1n3r s VAL 131 Cb -0.09 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1n3r s VAL 131 CO 0.03 0.53 0.96 -0.51 0.00 0.00 0.00 175.10 176.11 1n3r s ILE 132 N 0.92 4.71 0.03 2.22 2.07 -1.26 -2.12 121.20 127.76 1n3r s ILE 132 Ca -0.05 0.83 -0.30 0.00 -1.41 0.00 0.00 60.65 59.72 1n3r s ILE 132 Cb -0.15 -3.82 -0.05 0.00 0.13 0.00 0.00 42.46 38.56 1n3r s ILE 132 CO -0.03 -0.95 1.21 -0.83 -1.91 0.00 0.00 174.94 172.43 1n3r s GLY 133 N -3.84 2.31 0.18 1.50 0.00 -1.07 -4.95 107.32 101.45 1n3r s GLY 133 Ca 0.54 0.80 -0.27 0.00 0.00 0.00 0.00 44.72 45.80 1n3r s GLY 133 CO 0.46 2.11 1.55 1.41 0.00 0.00 0.00 173.10 178.62 1n3r h LEU 134 N 7.20 -1.83 -2.70 0.66 3.38 -1.95 0.53 115.31 120.61 1n3r h LEU 134 Ca -0.40 0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1n3r h LEU 134 Cb 1.20 0.84 -0.00 0.00 0.09 0.00 0.00 40.66 42.79 1n3r h LEU 134 CO 0.83 -0.28 0.07 0.77 0.09 0.00 0.00 178.44 179.92 1n3r h SER 135 N -0.09 0.00 0.75 -0.43 4.64 -2.01 0.31 113.55 116.73 1n3r h SER 135 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1n3r h SER 135 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1n3r h SER 135 CO -0.87 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.38 1n3r n LYS 136 N -3.23 0.19 0.04 4.77 4.76 0.18 -1.42 118.16 123.45 1n3r n LYS 136 Ca -0.02 0.41 -0.07 0.00 -2.87 0.00 0.00 58.31 55.76 1n3r n LYS 136 Cb 0.14 -1.86 -0.12 0.00 -1.84 0.00 0.00 35.03 31.35 1n3r n LYS 136 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1n3r h ILE 137 N 0.00 1.30 0.07 -0.18 2.04 -0.44 -3.09 117.51 117.22 1n3r h ILE 137 Ca 0.00 -3.03 -0.18 0.00 1.00 0.00 0.00 64.86 62.65 1n3r h ILE 137 Cb 0.38 2.63 0.02 0.00 -0.74 0.00 0.00 36.82 39.11 1n3r h ILE 137 CO 0.00 0.74 -0.75 0.78 0.00 0.00 0.00 178.15 178.92 1n3r h ASN 138 N 0.00 0.53 -0.45 1.72 -0.26 -1.33 -3.01 115.58 112.79 1n3r h ASN 138 Ca -0.11 -0.85 -0.02 0.00 -0.56 0.00 0.00 56.30 54.76 1n3r h ASN 138 Cb 1.82 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 38.89 1n3r h ASN 138 CO 0.10 1.33 0.23 0.03 -1.06 0.00 0.00 177.43 178.06 1n3r h ARG 139 N -0.19 0.68 -0.23 0.81 3.08 -1.36 0.48 114.38 117.64 1n3r h ARG 139 Ca -0.11 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.73 1n3r h ARG 139 Cb 1.51 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.43 1n3r h ARG 139 CO 0.14 0.54 -0.35 0.82 -1.07 0.00 0.00 179.97 180.05 1n3r h ILE 140 N 0.68 1.32 -0.00 2.04 2.04 -1.64 0.73 117.51 122.68 1n3r h ILE 140 Ca 0.17 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1n3r h ILE 140 Cb 0.08 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1n3r h ILE 140 CO -0.02 0.49 -0.02 0.58 0.00 0.00 0.00 178.15 179.17 1n3r h VAL 141 N 0.35 0.94 0.00 1.67 2.07 -1.28 -1.67 116.25 118.33 1n3r h VAL 141 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1n3r h VAL 141 Cb 0.94 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1n3r h VAL 141 CO 0.08 0.00 0.00 1.56 0.02 0.00 0.00 177.57 179.23 1n3r h GLN 142 N -0.04 0.00 0.21 1.57 1.08 -0.87 -2.44 115.11 114.62 1n3r h GLN 142 Ca 0.01 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1n3r h GLN 142 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1n3r h GLN 142 CO -0.03 0.00 -0.10 0.35 -0.95 0.00 0.00 178.83 178.10 1n3r h PHE 143 N 0.00 -0.26 0.00 2.96 3.57 0.13 -2.54 116.94 120.80 1n3r h PHE 143 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1n3r h PHE 143 Cb 0.41 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1n3r h PHE 143 CO 0.00 0.09 0.00 0.74 -2.23 0.00 0.00 178.31 176.91 1n3r h PHE 144 N -0.67 0.00 0.00 0.41 0.04 -1.52 -2.81 116.94 112.40 1n3r h PHE 144 Ca -0.03 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 1n3r h PHE 144 Cb 0.47 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.62 1n3r h PHE 144 CO 0.04 0.00 -0.09 0.00 -0.60 0.00 0.00 178.31 177.66 1n3r h ALA 145 N 2.04 0.99 -1.32 2.45 0.00 -1.33 -3.30 119.26 118.80 1n3r h ALA 145 Ca 0.00 -0.08 -0.78 0.00 0.00 0.00 0.00 54.91 54.05 1n3r h ALA 145 Cb 0.75 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.31 1n3r h ALA 145 CO 0.00 0.11 1.49 1.04 0.00 0.00 0.00 179.25 181.89 1n3r n GLN 146 N -3.19 4.16 -3.59 0.00 1.13 -0.97 -3.92 117.38 111.00 1n3r n GLN 146 Ca 0.01 -4.01 -0.09 0.00 -1.94 0.00 0.00 57.00 50.97 1n3r n GLN 146 Cb 0.40 -2.71 -0.02 0.00 0.11 0.00 0.00 30.24 28.03 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 -1.33 1.35 0.13 -1.09 0.52 -1.00 -0.20 118.95 117.33 1n3r s ARG 147 Ca 0.37 -0.61 -0.30 0.00 -0.52 0.00 0.00 55.73 54.66 1n3r s ARG 147 Cb 0.09 0.54 -0.07 0.00 0.52 0.00 0.00 34.95 36.03 1n3r s ARG 147 CO 0.03 -0.60 1.20 -2.14 0.02 0.00 0.00 175.30 173.81 1n3r s PRO 148 N -3.65 4.47 0.39 3.54 0.02 -1.26 -3.72 135.00 134.79 1n3r s PRO 148 Ca 0.06 1.82 0.06 0.00 0.02 0.00 0.00 61.00 62.96 1n3r s PRO 148 Cb -0.02 -3.29 -0.02 0.00 0.02 0.00 0.00 34.50 31.19 1n3r s PRO 148 CO -0.05 -0.15 0.20 -0.65 -0.33 0.00 0.00 177.00 176.02 1n3r s GLN 149 N 0.34 1.91 -0.19 5.54 -1.52 0.40 -4.64 119.66 121.49 1n3r s GLN 149 Ca 0.55 -2.15 -0.05 0.00 -1.95 0.00 0.00 55.36 51.76 1n3r s GLN 149 Cb -0.31 -0.21 0.07 0.00 -0.22 0.00 0.00 33.01 32.34 1n3r s GLN 149 CO 0.33 -0.59 0.10 0.08 -0.25 0.00 0.00 175.29 174.96 1n3r s VAL 150 N -3.27 -0.07 0.36 1.09 1.01 -1.26 -0.91 120.40 117.35 1n3r s VAL 150 Ca 0.29 -0.27 0.19 0.00 0.00 0.00 0.00 61.98 62.19 1n3r s VAL 150 Cb 0.02 -0.65 0.35 0.00 0.00 0.00 0.00 36.38 36.09 1n3r s VAL 150 CO 0.20 -0.35 1.54 1.67 0.00 0.00 0.00 175.10 178.17 1n3r n GLN 151 N 5.27 -0.06 -0.18 2.72 7.27 -1.26 0.14 117.38 131.29 1n3r n GLN 151 Ca -0.07 1.36 -0.06 0.00 0.07 0.00 0.00 57.00 58.30 1n3r n GLN 151 Cb 0.48 -2.42 0.03 0.00 2.41 0.00 0.00 30.24 30.75 1n3r n GLN 151 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1n3r h GLU 152 N 0.00 0.63 -0.06 3.69 3.07 -2.00 -1.61 114.58 118.29 1n3r h GLU 152 Ca 0.81 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 59.52 1n3r h GLU 152 Cb 2.11 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 29.89 1n3r h GLU 152 CO -0.77 0.41 -0.41 -0.09 -1.40 0.00 0.00 179.01 176.75 1n3r h ARG 153 N 0.64 0.39 -0.66 2.33 2.43 -0.73 -2.92 114.38 115.87 1n3r h ARG 153 Ca 0.20 -0.34 0.10 0.00 -0.81 0.00 0.00 59.98 59.14 1n3r h ARG 153 Cb -0.01 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.54 1n3r h ARG 153 CO -0.08 0.98 0.26 1.25 -1.51 0.00 0.00 179.97 180.88 1n3r h LEU 154 N -0.10 0.28 -0.74 3.80 5.85 -1.13 0.20 115.31 123.47 1n3r h LEU 154 Ca -0.03 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1n3r h LEU 154 Cb 1.08 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 1n3r h LEU 154 CO 0.08 0.15 0.49 0.74 -0.34 0.00 0.00 178.44 179.57 1n3r h THR 155 N 0.45 1.19 0.14 1.05 2.02 -1.33 -2.23 112.91 114.20 1n3r h THR 155 Ca 0.34 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1n3r h THR 155 Cb 0.43 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1n3r h THR 155 CO -0.32 0.18 -0.07 1.56 0.37 0.00 0.00 175.52 177.25 1n3r h GLN 156 N 1.01 -0.18 -0.24 6.66 1.08 -0.92 -2.79 115.11 119.73 1n3r h GLN 156 Ca 0.27 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.54 1n3r h GLN 156 Cb -0.12 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.28 1n3r h GLN 156 CO -0.06 0.02 -0.44 1.96 -0.95 0.00 0.00 178.83 179.36 1n3r h GLN 157 N -0.35 -0.42 -0.73 1.46 4.20 -0.41 -0.72 115.11 118.14 1n3r h GLN 157 Ca -0.02 0.03 0.16 0.00 0.06 0.00 0.00 58.65 58.88 1n3r h GLN 157 Cb 0.28 0.10 -0.12 0.00 0.30 0.00 0.00 27.48 28.03 1n3r h GLN 157 CO 0.03 -0.28 0.04 0.82 -0.67 0.00 0.00 178.83 178.77 1n3r h ILE 158 N -0.44 0.40 0.14 2.54 1.08 -1.42 -0.96 117.51 118.86 1n3r h ILE 158 Ca 0.09 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1n3r h ILE 158 Cb 0.62 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 1n3r h ILE 158 CO -0.47 0.03 -0.20 0.25 -0.69 0.00 0.00 178.15 177.06 1n3r h LEU 159 N 0.14 -0.56 -0.24 1.44 5.85 -0.86 -1.06 115.31 120.01 1n3r h LEU 159 Ca 0.40 0.05 0.03 0.00 0.84 0.00 0.00 57.88 59.20 1n3r h LEU 159 Cb 0.69 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 1n3r h LEU 159 CO -0.61 -0.24 -0.42 0.40 -0.34 0.00 0.00 178.44 177.23 1n3r h ILE 160 N -0.35 0.00 -0.89 4.05 1.08 -0.98 0.10 117.51 120.51 1n3r h ILE 160 Ca -0.02 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.61 1n3r h ILE 160 Cb 0.32 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.91 1n3r h ILE 160 CO -0.06 0.00 -0.32 0.00 -0.69 0.00 0.00 178.15 177.08 1n3r h ALA 161 N -0.43 0.29 -0.39 1.87 0.00 -1.13 0.62 119.26 120.10 1n3r h ALA 161 Ca 0.04 0.29 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 1n3r h ALA 161 Cb 0.47 0.85 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1n3r h ALA 161 CO -0.41 -0.55 -0.13 -0.07 0.00 0.00 0.00 179.25 178.09 1n3r h LEU 162 N -0.03 0.70 -0.72 0.00 3.38 -0.42 0.22 115.31 118.44 1n3r h LEU 162 Ca 0.36 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1n3r h LEU 162 Cb 0.62 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1n3r h LEU 162 CO -0.92 0.85 0.15 1.56 0.09 0.00 0.00 178.44 180.17 1n3r h GLN 163 N 0.64 1.12 0.01 1.13 4.20 0.23 -0.89 115.11 121.55 1n3r h GLN 163 Ca 0.11 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1n3r h GLN 163 Cb 0.59 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1n3r h GLN 163 CO 0.04 1.00 -0.01 1.15 -0.67 0.00 0.00 178.83 180.34 1n3r h THR 164 N 1.06 1.21 -0.08 -0.54 2.02 0.50 -0.53 112.91 116.55 1n3r h THR 164 Ca 0.21 -0.68 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 1n3r h THR 164 Cb 0.40 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1n3r h THR 164 CO 0.01 0.18 -0.42 -0.07 0.37 0.00 0.00 175.52 175.58 1n3r h LEU 165 N -0.31 0.18 -0.41 2.58 3.38 -0.80 -2.98 115.31 116.95 1n3r h LEU 165 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1n3r h LEU 165 Cb 0.30 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1n3r h LEU 165 CO 0.00 0.59 -0.56 0.18 0.09 0.00 0.00 178.44 178.74 1n3r n LEU 166 N -4.02 1.20 -3.46 1.67 4.77 -0.35 -4.99 117.00 111.81 1n3r n LEU 166 Ca -0.02 -0.41 -0.18 0.00 -0.03 0.00 0.00 56.01 55.38 1n3r n LEU 166 Cb 0.48 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.56 1n3r n LEU 166 CO 0.41 0.25 0.07 0.61 -1.33 0.00 0.00 177.39 177.40 1n3r n GLY 167 N 1.44 -0.42 3.59 -0.72 0.00 -0.26 -4.63 105.19 104.18 1n3r n GLY 167 Ca 0.08 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.41 -0.00 -1.82 2.61 2.01 -0.86 -4.88 115.64 109.29 1n3r s THR 168 Ca 0.04 0.00 0.30 0.00 0.31 0.00 0.00 61.69 62.35 1n3r s THR 168 Cb -0.01 -0.95 0.76 0.00 0.01 0.00 0.00 72.50 72.32 1n3r s THR 168 CO 0.75 0.00 2.12 0.59 -0.69 0.00 0.00 174.62 177.39 1n3r n ASN 169 N 3.25 0.00 -4.19 3.53 3.02 -1.26 -4.40 115.26 115.21 1n3r n ASN 169 Ca -0.16 -0.70 -0.43 0.00 -0.03 0.00 0.00 54.58 53.26 1n3r n ASN 169 Cb 0.56 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1n3r n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n3r n ASN 170 N -1.09 4.95 -3.83 6.41 3.02 -1.26 0.80 115.26 124.26 1n3r n ASN 170 Ca 0.20 -2.99 -0.13 0.00 -0.03 0.00 0.00 54.58 51.63 1n3r n ASN 170 Cb 0.15 -1.58 -0.14 0.00 -0.61 0.00 0.00 39.78 37.59 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 1.84 -0.02 -0.06 2.41 1.01 -1.25 -2.40 120.40 121.93 1n3r s VAL 171 Ca 0.44 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1n3r s VAL 171 Cb 0.05 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.35 1n3r s VAL 171 CO 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 175.10 174.97 1n3r s ALA 172 N 0.34 1.47 -0.03 5.51 0.00 0.45 -1.43 121.76 128.06 1n3r s ALA 172 Ca -0.03 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.39 1n3r s ALA 172 Cb -0.04 -0.58 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 1n3r s ALA 172 CO -0.01 0.19 -0.14 0.08 0.00 0.00 0.00 175.76 175.88 1n3r s VAL 173 N 0.41 1.16 -0.05 0.00 1.01 0.32 -1.15 120.40 122.10 1n3r s VAL 173 Ca -0.12 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1n3r s VAL 173 Cb -0.15 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1n3r s VAL 173 CO 0.04 0.34 -0.05 -0.55 0.00 0.00 0.00 175.10 174.88 1n3r s SER 174 N 0.03 1.04 -0.08 3.32 0.15 -0.33 0.95 113.70 118.78 1n3r s SER 174 Ca -0.02 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.53 1n3r s SER 174 Cb -0.09 -0.47 0.01 0.00 -1.71 0.00 0.00 66.02 63.75 1n3r s SER 174 CO 0.01 -0.06 -0.18 -0.63 1.20 0.00 0.00 173.24 173.58 1n3r s ILE 175 N 0.98 1.59 -0.23 6.45 1.01 0.12 -0.77 121.20 130.34 1n3r s ILE 175 Ca -0.10 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.82 1n3r s ILE 175 Cb -0.14 -1.41 0.05 0.00 0.01 0.00 0.00 42.46 40.97 1n3r s ILE 175 CO -0.00 0.46 -0.14 -0.62 0.00 0.00 0.00 174.94 174.64 1n3r s ASP 176 N 0.48 3.98 0.14 3.58 2.15 -0.58 -1.33 116.67 125.10 1n3r s ASP 176 Ca -0.16 -1.14 -0.03 0.00 0.43 0.00 0.00 52.55 51.65 1n3r s ASP 176 Cb -0.17 -1.51 -0.03 0.00 -0.30 0.00 0.00 42.92 40.91 1n3r s ASP 176 CO 0.06 -0.13 0.11 0.00 -0.17 0.00 0.00 175.17 175.05 1n3r s ALA 177 N 1.17 0.70 -0.10 3.66 0.00 0.26 -1.21 121.76 126.24 1n3r s ALA 177 Ca -0.04 -1.36 -0.03 0.00 0.00 0.00 0.00 51.96 50.52 1n3r s ALA 177 Cb -0.18 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 1n3r s ALA 177 CO -0.08 -0.53 0.02 0.08 0.00 0.00 0.00 175.76 175.25 1n3r s VAL 178 N -4.04 4.45 -0.35 0.00 1.01 -0.23 -0.39 120.40 120.85 1n3r s VAL 178 Ca 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1n3r s VAL 178 Cb 0.06 -2.89 0.07 0.00 0.00 0.00 0.00 36.38 33.62 1n3r s VAL 178 CO 0.02 0.59 0.10 -1.00 0.00 0.00 0.00 175.10 174.81 1n3r s HIS 179 N -0.69 3.39 -2.00 5.22 3.76 -1.26 -2.16 115.29 121.54 1n3r s HIS 179 Ca 0.11 -1.99 0.09 0.00 -0.15 0.00 0.00 55.06 53.12 1n3r s HIS 179 Cb -0.12 -2.57 0.52 0.00 1.11 0.00 0.00 32.58 31.53 1n3r s HIS 179 CO 0.02 -0.85 0.96 0.66 -0.85 0.00 0.00 174.74 174.68 1n3r n TYR 180 N 4.65 0.00 1.25 1.40 4.02 -0.90 -0.24 117.16 127.34 1n3r n TYR 180 Ca -0.09 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.93 1n3r n TYR 180 Cb 0.43 0.00 0.33 0.00 -0.02 0.00 0.00 39.34 40.08 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 -0.12 0.22 -0.00 0.00 0.31 0.67 -4.54 118.33 114.87 1n3r n VAL 182 Ca 0.14 -0.08 -0.19 0.00 -0.01 0.00 0.00 64.34 64.20 1n3r n VAL 182 Cb 0.39 -0.66 -0.14 0.00 -0.91 0.00 0.00 33.84 32.52 1n3r n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1n3r h LYS 183 N -0.00 0.19 -0.61 5.55 3.64 -1.14 0.29 116.57 124.49 1n3r h LYS 183 Ca -0.09 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1n3r h LYS 183 Cb 1.13 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1n3r h LYS 183 CO -0.01 1.15 0.00 0.00 -2.27 0.00 0.00 179.45 178.32 1n3r n ALA 184 N -2.76 2.82 -3.61 5.00 0.00 -0.96 -4.07 120.51 116.93 1n3r n ALA 184 Ca -0.16 -1.15 -0.01 0.00 0.00 0.00 0.00 53.44 52.11 1n3r n ALA 184 Cb 0.74 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 1n3r n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n3r s ARG 185 N -1.64 0.24 6.53 0.00 3.52 -1.25 -4.96 118.95 121.40 1n3r s ARG 185 Ca 0.39 -0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 1n3r s ARG 185 Cb 0.24 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.73 1n3r s ARG 185 CO 0.21 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 175.00 1n3r n GLY 186 N -0.23 2.00 0.18 8.12 0.00 -1.26 -1.79 105.19 112.21 1n3r n GLY 186 Ca -0.02 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 -6.65 -0.61 6.09 -1.84 -3.47 117.51 111.03 1n3r h ILE 187 Ca 0.00 -0.34 -0.53 0.00 -1.37 0.00 0.00 64.86 62.61 1n3r h ILE 187 Cb 0.00 1.18 -0.14 0.00 0.47 0.00 0.00 36.82 38.33 1n3r h ILE 187 CO 0.00 0.00 -0.86 0.54 -3.07 0.00 0.00 178.15 174.76 1n3r n ARG 188 N -2.52 -3.14 -2.61 2.19 1.74 -0.44 -4.90 116.66 106.98 1n3r n ARG 188 Ca 0.02 0.37 -0.43 0.00 -0.77 0.00 0.00 57.85 57.04 1n3r n ARG 188 Cb 0.27 -4.76 -0.02 0.00 -1.02 0.00 0.00 32.46 26.93 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 -3.84 6.64 0.00 0.55 -1.08 0.90 -4.85 116.67 114.99 1n3r s ASP 189 Ca 0.37 0.48 0.18 0.00 -0.52 0.00 0.00 52.55 53.05 1n3r s ASP 189 Cb -0.20 -2.55 0.77 0.00 -1.46 0.00 0.00 42.92 39.48 1n3r s ASP 189 CO 0.91 -1.24 1.54 0.00 0.52 0.00 0.00 175.17 176.90 1n3r n ALA 190 N 7.81 2.54 0.00 3.66 0.00 -1.26 -3.61 120.51 129.65 1n3r n ALA 190 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1n3r n ALA 190 Cb 0.49 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.01 0.00 -1.58 0.00 -2.24 -1.26 -5.09 114.28 104.12 1n3r n THR 191 Ca 0.14 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.64 1n3r n THR 191 Cb 0.24 0.20 0.13 0.00 -2.10 0.00 0.00 70.33 68.80 1n3r n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n3r s SER 192 N -1.81 3.57 -0.19 3.42 1.04 -1.26 -5.09 113.70 113.38 1n3r s SER 192 Ca 0.00 0.92 -0.27 0.00 0.48 0.00 0.00 55.95 57.08 1n3r s SER 192 Cb 0.00 -1.48 0.07 0.00 0.10 0.00 0.00 66.02 64.72 1n3r s SER 192 CO 0.00 -2.51 0.72 0.00 0.98 0.00 0.00 173.24 172.43 1n3r s ALA 193 N -3.32 -1.79 -0.02 5.32 0.00 -1.26 -4.76 121.76 115.93 1n3r s ALA 193 Ca 0.64 1.76 -0.02 0.00 0.00 0.00 0.00 51.96 54.34 1n3r s ALA 193 Cb -0.14 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1n3r s ALA 193 CO 0.53 -0.35 0.13 0.99 0.00 0.00 0.00 175.76 177.06 1n3r s THR 194 N -0.21 5.12 -0.07 0.00 2.01 0.48 -4.91 115.64 118.06 1n3r s THR 194 Ca -0.04 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 1n3r s THR 194 Cb -0.03 -3.36 0.03 0.00 0.01 0.00 0.00 72.50 69.15 1n3r s THR 194 CO 0.04 0.36 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.43 1n3r s THR 195 N -1.24 0.42 0.20 -0.82 2.01 -1.26 -0.58 115.64 114.37 1n3r s THR 195 Ca 0.24 0.07 0.10 0.00 0.31 0.00 0.00 61.69 62.42 1n3r s THR 195 Cb -0.12 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 1n3r s THR 195 CO 0.15 0.26 -0.21 0.42 -0.69 0.00 0.00 174.62 174.55 1n3r s THR 196 N 1.79 2.18 -0.08 -0.82 -4.23 -0.44 -4.99 115.64 109.05 1n3r s THR 196 Ca 0.02 -2.05 -0.05 0.00 -1.18 0.00 0.00 61.69 58.43 1n3r s THR 196 Cb -0.13 -2.05 0.03 0.00 1.34 0.00 0.00 72.50 71.69 1n3r s THR 196 CO -0.05 -0.24 0.18 0.42 -0.54 0.00 0.00 174.62 174.40 1n3r s THR 197 N -1.95 -0.03 -0.33 3.99 -4.23 -1.26 -0.70 115.64 111.13 1n3r s THR 197 Ca 0.20 0.11 -0.03 0.00 -1.18 0.00 0.00 61.69 60.79 1n3r s THR 197 Cb -0.07 -0.28 0.05 0.00 1.34 0.00 0.00 72.50 73.54 1n3r s THR 197 CO 0.09 0.04 0.06 -0.44 -0.54 0.00 0.00 174.62 173.84 1n3r s SER 198 N 0.82 5.08 -0.05 3.99 0.01 0.27 -4.97 113.70 118.84 1n3r s SER 198 Ca -0.06 -1.33 -0.05 0.00 1.31 0.00 0.00 55.95 55.82 1n3r s SER 198 Cb -0.08 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 1n3r s SER 198 CO -0.05 -0.32 0.18 -0.76 0.41 0.00 0.00 173.24 172.70 1n3r s LEU 199 N 1.29 4.38 0.10 2.44 1.43 -1.26 -0.52 118.68 126.53 1n3r s LEU 199 Ca -0.02 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1n3r s LEU 199 Cb -0.20 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 1n3r s LEU 199 CO -0.00 0.32 -0.02 -0.83 0.23 0.00 0.00 176.35 176.06 1n3r s GLY 200 N -1.53 0.77 0.00 -3.19 0.00 -0.51 -4.63 107.32 98.22 1n3r s GLY 200 Ca 0.22 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.58 1n3r s GLY 200 CO 0.12 -1.39 0.00 0.61 0.00 0.00 0.00 173.10 172.44 1n3r n GLY 201 N -0.02 2.97 0.30 0.20 0.00 0.24 -0.07 105.19 108.81 1n3r n GLY 201 Ca -0.11 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.24 0.99 3.38 -1.93 0.12 115.31 116.62 1n3r h LEU 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n3r h LEU 202 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1n3r h LEU 202 CO 0.00 0.03 0.00 -0.26 0.09 0.00 0.00 178.44 178.30 1n3r h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -0.75 0.13 116.94 117.49 1n3r h PHE 203 Ca -0.00 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.45 1n3r h PHE 203 Cb 0.12 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.22 1n3r h PHE 203 CO 0.00 0.00 -2.08 1.17 -0.60 0.00 0.00 178.31 176.80 1n3r n LYS 204 N -3.00 0.42 0.04 1.51 4.81 -0.04 -4.18 118.16 117.73 1n3r n LYS 204 Ca 0.01 0.17 -0.20 0.00 -0.87 0.00 0.00 58.31 57.42 1n3r n LYS 204 Cb 0.32 -1.22 -0.12 0.00 0.02 0.00 0.00 35.03 34.02 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 -0.57 0.66 -3.16 3.14 4.64 -0.94 -3.44 113.55 113.88 1n3r h SER 205 Ca -0.48 -0.81 -0.57 0.00 -0.47 0.00 0.00 61.79 59.46 1n3r h SER 205 Cb 1.47 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 63.30 1n3r h SER 205 CO -0.26 1.40 0.69 -0.55 -0.87 0.00 0.00 176.83 177.25 1n3r s SER 206 N -7.05 7.15 0.24 4.97 0.15 0.03 -4.93 113.70 114.27 1n3r s SER 206 Ca -0.12 1.42 -0.04 0.00 0.70 0.00 0.00 55.95 57.91 1n3r s SER 206 Cb 0.04 -2.54 0.27 0.00 -1.71 0.00 0.00 66.02 62.08 1n3r s SER 206 CO 0.87 -0.57 1.78 -0.61 1.20 0.00 0.00 173.24 175.91 1n3r h GLN 207 N 7.31 0.98 0.45 5.44 5.75 -1.86 -1.98 115.11 131.20 1n3r h GLN 207 Ca -0.24 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.03 1n3r h GLN 207 Cb 1.10 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.51 1n3r h GLN 207 CO 0.92 0.86 -0.21 -0.97 -2.65 0.00 0.00 178.83 176.78 1n3r h ASN 208 N 0.94 -0.51 -0.51 -0.69 -1.24 -1.91 -2.93 115.58 108.73 1n3r h ASN 208 Ca 0.20 0.02 0.12 0.00 0.71 0.00 0.00 56.30 57.35 1n3r h ASN 208 Cb 0.32 0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.48 1n3r h ASN 208 CO -0.00 -0.27 0.36 0.74 -1.29 0.00 0.00 177.43 176.96 1n3r h THR 209 N -0.78 0.81 0.29 -3.57 2.02 -1.79 -1.35 112.91 108.55 1n3r h THR 209 Ca -0.06 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1n3r h THR 209 Cb 0.46 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1n3r h THR 209 CO 0.10 0.03 -0.14 -0.09 0.37 0.00 0.00 175.52 175.79 1n3r h ARG 210 N 0.15 -0.38 -0.03 6.66 2.43 -1.37 -2.31 114.38 119.53 1n3r h ARG 210 Ca 0.24 0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.30 1n3r h ARG 210 Cb 0.76 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1n3r h ARG 210 CO -0.03 -0.18 -0.61 0.45 -1.51 0.00 0.00 179.97 178.09 1n3r h HIS 211 N -0.50 0.13 -0.66 2.20 3.86 -1.25 0.17 115.15 119.10 1n3r h HIS 211 Ca -0.04 -0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.14 1n3r h HIS 211 Cb 0.37 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.79 1n3r h HIS 211 CO -0.03 0.68 0.43 0.93 0.86 0.00 0.00 177.93 180.81 1n3r h GLU 212 N 0.07 0.80 0.02 2.45 5.08 -1.17 0.26 114.58 122.10 1n3r h GLU 212 Ca -0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1n3r h GLU 212 Cb 1.09 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1n3r h GLU 212 CO 0.09 0.53 -0.01 0.35 -1.00 0.00 0.00 179.01 178.96 1n3r h PHE 213 N 0.82 -0.03 0.00 4.33 3.57 -1.00 -3.30 116.94 121.33 1n3r h PHE 213 Ca 0.25 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1n3r h PHE 213 Cb 0.01 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1n3r h PHE 213 CO -0.00 0.65 0.00 -0.07 -2.23 0.00 0.00 178.31 176.66 1n3r h LEU 214 N -0.94 0.00 0.02 0.59 3.38 -0.76 -3.11 115.31 114.48 1n3r h LEU 214 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n3r h LEU 214 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1n3r h LEU 214 CO 0.01 0.00 -0.01 -0.09 0.09 0.00 0.00 178.44 178.44 1n3r h ARG 215 N 0.00 -0.02 -0.02 1.13 2.43 -0.58 -3.28 114.38 114.04 1n3r h ARG 215 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1n3r h ARG 215 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1n3r h ARG 215 CO 0.00 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 179.20 1n3r n ALA 216 N -2.54 2.39 -2.12 2.80 0.00 -1.18 -4.85 120.51 115.02 1n3r n ALA 216 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 1n3r n ALA 216 Cb 0.37 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.98 4.65 -0.15 0.00 1.01 -1.19 -4.64 120.40 118.09 1n3r s VAL 217 Ca 0.00 1.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.98 1n3r s VAL 217 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1n3r s VAL 217 CO 0.00 -0.12 0.11 -1.14 0.00 0.00 0.00 175.10 173.95 1n3r n ARG 218 N -0.19 -1.20 -4.57 2.72 0.00 -1.26 -5.07 116.66 107.09 1n3r n ARG 218 Ca 0.03 1.30 -0.27 0.00 -0.00 0.00 0.00 57.85 58.90 1n3r n ARG 218 Cb 0.53 -2.95 -0.11 0.00 0.00 0.00 0.00 32.46 29.93 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 -1.11 2.50 -0.08 -0.14 3.76 -1.26 -5.14 115.29 113.81 1n3r s HIS 219 Ca 0.05 -0.62 -0.03 0.00 -0.15 0.00 0.00 55.06 54.30 1n3r s HIS 219 Cb -0.01 -1.69 0.04 0.00 1.11 0.00 0.00 32.58 32.03 1n3r s HIS 219 CO 0.31 0.47 0.13 -1.58 -0.85 0.00 0.00 174.74 173.22 1n3r s HIS 220 N -2.68 -0.09 0.00 1.40 2.46 -1.26 -4.95 115.29 110.18 1n3r s HIS 220 Ca 0.35 0.43 0.00 0.00 0.47 0.00 0.00 55.06 56.31 1n3r s HIS 220 Cb 0.08 -0.36 0.00 0.00 -0.13 0.00 0.00 32.58 32.17 1n3r s HIS 220 CO 0.18 -0.27 0.00 0.09 -2.47 0.00 0.00 174.74 172.27