#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 -5.11 113.62 113.67 1n3r n SER 2 Ca 0.00 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1n3r n SER 2 Cb 0.00 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 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 -1.99 0.00 -3.92 2.46 4.77 -1.26 -4.94 117.00 112.12 1n3r n LEU 3 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1n3r n LEU 3 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1n3r n LEU 3 CO 0.00 0.00 -0.23 -0.55 -1.33 0.00 0.00 177.39 175.28 1n3r s SER 4 N 1.10 0.14 0.10 -1.43 0.15 -1.26 -5.04 113.70 107.46 1n3r s SER 4 Ca 0.00 -0.41 -0.28 0.00 0.70 0.00 0.00 55.95 55.96 1n3r s SER 4 Cb 0.00 0.19 -0.13 0.00 -1.71 0.00 0.00 66.02 64.37 1n3r s SER 4 CO 0.00 -0.41 1.66 0.11 1.20 0.00 0.00 173.24 175.79 1n3r h LYS 5 N 4.09 -0.47 -0.73 5.44 1.57 -2.01 0.17 116.57 124.63 1n3r h LYS 5 Ca -0.32 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.43 1n3r h LYS 5 Cb 1.19 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 1n3r h LYS 5 CO 0.45 -0.31 0.20 0.93 -0.57 0.00 0.00 179.45 180.15 1n3r h GLU 6 N -0.48 1.15 -0.83 3.15 3.07 -1.98 -1.41 114.58 117.25 1n3r h GLU 6 Ca -0.01 -0.27 0.08 0.00 -0.50 0.00 0.00 59.36 58.67 1n3r h GLU 6 Cb 0.44 -0.16 -0.06 0.00 -0.84 0.00 0.00 28.75 28.13 1n3r h GLU 6 CO -0.03 1.00 0.54 0.00 -1.40 0.00 0.00 179.01 179.12 1n3r h ALA 7 N 1.10 1.66 0.01 3.43 0.00 -1.85 -0.96 119.26 122.65 1n3r h ALA 7 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1n3r h ALA 7 Cb 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1n3r h ALA 7 CO -0.00 0.19 -0.00 0.00 0.00 0.00 0.00 179.25 179.43 1n3r h ALA 8 N 1.57 -0.01 -0.05 0.00 0.00 -0.29 -2.01 119.26 118.47 1n3r h ALA 8 Ca 0.37 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1n3r h ALA 8 Cb 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1n3r h ALA 8 CO -0.14 -0.15 -0.28 -0.07 0.00 0.00 0.00 179.25 178.61 1n3r h LEU 9 N -0.72 -0.84 -0.31 0.00 3.38 -1.06 0.24 115.31 116.01 1n3r h LEU 9 Ca -0.00 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1n3r h LEU 9 Cb 0.71 0.35 -0.07 0.00 0.09 0.00 0.00 40.66 41.74 1n3r h LEU 9 CO 0.00 -0.34 -0.15 0.58 0.09 0.00 0.00 178.44 178.63 1n3r h VAL 10 N -0.39 0.54 0.09 1.22 2.07 -1.26 1.04 116.25 119.55 1n3r h VAL 10 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1n3r h VAL 10 Cb 0.50 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1n3r h VAL 10 CO -0.28 0.00 -0.20 -0.74 0.02 0.00 0.00 177.57 176.38 1n3r h HIS 11 N -0.10 -0.52 -0.59 1.57 -0.00 -0.82 0.13 115.15 114.82 1n3r h HIS 11 Ca 0.16 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.60 1n3r h HIS 11 Cb 0.35 0.22 -0.05 0.00 -0.00 0.00 0.00 27.41 27.92 1n3r h HIS 11 CO -0.35 -0.28 0.30 0.93 -0.00 0.00 0.00 177.93 178.53 1n3r h GLU 12 N -0.36 0.55 -0.60 5.26 5.08 0.40 -1.27 114.58 123.64 1n3r h GLU 12 Ca 0.03 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1n3r h GLU 12 Cb 0.39 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1n3r h GLU 12 CO -0.12 0.37 0.33 0.00 -1.00 0.00 0.00 179.01 178.58 1n3r h ALA 13 N 1.33 0.79 0.00 3.43 0.00 0.18 -0.94 119.26 124.05 1n3r h ALA 13 Ca 0.27 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1n3r h ALA 13 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1n3r h ALA 13 CO -0.19 0.01 -0.28 -0.07 0.00 0.00 0.00 179.25 178.72 1n3r h LEU 14 N 0.63 0.00 0.00 0.00 3.38 0.27 -2.80 115.31 116.79 1n3r h LEU 14 Ca 0.27 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.07 1n3r h LEU 14 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1n3r h LEU 14 CO -0.16 0.28 -0.92 0.58 0.09 0.00 0.00 178.44 178.31 1n3r h VAL 15 N 0.00 1.03 -0.17 1.22 2.07 -0.48 0.36 116.25 120.28 1n3r h VAL 15 Ca -0.00 -2.56 -0.07 0.00 0.82 0.00 0.00 66.70 64.89 1n3r h VAL 15 Cb 0.64 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1n3r h VAL 15 CO 0.04 0.59 -0.21 0.00 0.02 0.00 0.00 177.57 178.00 1n3r h ALA 16 N 1.30 1.33 -0.42 1.67 0.00 -0.93 -2.85 119.26 119.35 1n3r h ALA 16 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1n3r h ALA 16 Cb 1.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1n3r h ALA 16 CO 0.08 0.45 0.00 -2.13 0.00 0.00 0.00 179.25 177.65 1n3r n ARG 17 N -4.18 2.44 -3.27 0.00 3.00 -1.16 -4.97 116.66 108.52 1n3r n ARG 17 Ca -0.01 -2.20 -0.20 0.00 -0.00 0.00 0.00 57.85 55.44 1n3r n ARG 17 Cb 0.34 -1.43 0.06 0.00 0.00 0.00 0.00 32.46 31.43 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 1.18 -0.32 0.59 5.14 0.00 -1.03 -4.91 105.19 105.84 1n3r n GLY 18 Ca 0.17 0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.06 2.82 -4.82 0.99 4.77 0.12 -5.00 117.00 111.83 1n3r n LEU 19 Ca -0.02 -1.94 -0.34 0.00 -0.03 0.00 0.00 56.01 53.67 1n3r n LEU 19 Cb 0.57 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 1n3r n LEU 19 CO 0.50 0.70 0.62 -1.61 -1.33 0.00 0.00 177.39 176.27 1n3r s GLU 20 N -0.99 4.27 0.11 3.23 0.41 -1.12 -4.83 118.70 119.77 1n3r s GLU 20 Ca 0.21 1.10 -0.31 0.00 -0.41 0.00 0.00 54.97 55.56 1n3r s GLU 20 Cb 0.11 -2.34 -0.08 0.00 -1.78 0.00 0.00 34.13 30.04 1n3r s GLU 20 CO 0.15 0.06 1.46 0.99 -0.49 0.00 0.00 175.26 177.43 1n3r s THR 21 N -2.04 3.17 -0.47 3.63 2.01 -1.26 -4.86 115.64 115.81 1n3r s THR 21 Ca 0.58 0.79 -0.36 0.00 0.31 0.00 0.00 61.69 63.02 1n3r s THR 21 Cb -0.11 -3.51 -0.14 0.00 0.01 0.00 0.00 72.50 68.75 1n3r s THR 21 CO 0.16 0.05 2.26 -2.65 -0.69 0.00 0.00 174.62 173.74 1n3r n PRO 22 N 4.31 0.70 -4.27 4.92 -0.02 -1.26 -4.94 135.00 134.43 1n3r n PRO 22 Ca 0.13 0.16 -0.15 0.00 -2.02 0.00 0.00 63.50 61.62 1n3r n PRO 22 Cb 0.41 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 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 7.63 2.50 0.36 2.45 1.02 -1.26 -5.18 118.68 126.21 1n3r s LEU 23 Ca 1.14 -1.04 0.08 0.00 0.02 0.00 0.00 54.13 54.33 1n3r s LEU 23 Cb -1.00 -0.39 -0.04 0.00 0.02 0.00 0.00 46.19 44.79 1n3r s LEU 23 CO 0.51 -0.33 0.20 -0.13 0.02 0.00 0.00 176.35 176.63 1n3r s ARG 24 N -3.74 2.41 -1.09 1.70 0.52 -1.26 -5.07 118.95 112.42 1n3r s ARG 24 Ca 0.19 -1.57 -0.03 0.00 -0.52 0.00 0.00 55.73 53.80 1n3r s ARG 24 Cb 0.02 -2.21 0.29 0.00 0.52 0.00 0.00 34.95 33.57 1n3r s ARG 24 CO 0.02 0.02 1.72 -2.30 0.02 0.00 0.00 175.30 174.78 1n3r n PRO 25 N -1.26 4.82 0.00 3.54 -0.02 -1.26 -4.97 135.00 135.86 1n3r n PRO 25 Ca -0.01 -4.44 0.00 0.00 -2.02 0.00 0.00 63.50 57.02 1n3r n PRO 25 Cb 0.62 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1n3r n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n3r n PRO 26 N 0.99 0.00 0.00 0.52 -0.02 -1.26 -4.87 135.00 130.36 1n3r n PRO 26 Ca 0.38 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1n3r n PRO 26 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.78 1n3r n PRO 26 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1n3r n VAL 27 N 0.00 0.00 -2.61 -1.45 0.31 -1.26 -4.28 118.33 109.04 1n3r n VAL 27 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1n3r n VAL 27 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1n3r n VAL 27 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1n3r s HIS 28 N 0.00 3.53 -0.23 3.52 5.65 -1.26 -5.02 115.29 121.49 1n3r s HIS 28 Ca 0.00 1.53 -0.04 0.00 0.25 0.00 0.00 55.06 56.80 1n3r s HIS 28 Cb 0.00 -3.24 -0.00 0.00 -1.18 0.00 0.00 32.58 28.16 1n3r s HIS 28 CO 0.00 -0.50 -0.04 -1.21 -0.65 0.00 0.00 174.74 172.34 1n3r s GLU 29 N 1.34 3.31 0.42 2.88 2.02 -1.26 -5.10 118.70 122.31 1n3r s GLU 29 Ca 0.53 -0.67 0.04 0.00 0.02 0.00 0.00 54.97 54.90 1n3r s GLU 29 Cb -0.23 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 30.97 1n3r s GLU 29 CO 0.26 -0.23 0.16 0.00 0.02 0.00 0.00 175.26 175.47 1n3r s MET 30 N 1.46 1.99 0.44 1.61 0.23 -1.26 -5.15 119.30 118.62 1n3r s MET 30 Ca 0.05 -2.23 -0.24 0.00 -1.03 0.00 0.00 55.69 52.25 1n3r s MET 30 Cb -0.15 -0.50 -0.08 0.00 -1.53 0.00 0.00 34.83 32.58 1n3r s MET 30 CO -0.03 -0.55 1.17 0.34 -2.03 0.00 0.00 175.02 173.91 1n3r s ASP 31 N -3.62 6.28 0.21 -1.18 2.15 -1.26 -4.95 116.67 114.30 1n3r s ASP 31 Ca 0.23 2.32 -0.07 0.00 0.43 0.00 0.00 52.55 55.46 1n3r s ASP 31 Cb 0.01 -2.61 0.15 0.00 -0.30 0.00 0.00 42.92 40.18 1n3r s ASP 31 CO 0.16 -0.84 1.67 -1.13 -0.17 0.00 0.00 175.17 174.86 1n3r h ASN 32 N 2.23 0.96 0.49 -0.34 -1.24 -2.01 -1.68 115.58 113.99 1n3r h ASN 32 Ca -0.49 -0.27 -0.07 0.00 0.71 0.00 0.00 56.30 56.19 1n3r h ASN 32 Cb 1.24 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 40.03 1n3r h ASN 32 CO 0.61 1.02 -0.31 -0.33 -1.29 0.00 0.00 177.43 177.13 1n3r h GLU 33 N 0.90 0.00 0.02 6.67 5.08 -2.00 -2.27 114.58 122.98 1n3r h GLU 33 Ca 0.16 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.28 1n3r h GLU 33 Cb 0.54 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.80 1n3r h GLU 33 CO 0.03 0.31 -1.01 1.15 -1.00 0.00 0.00 179.01 178.49 1n3r h THR 34 N 0.00 1.38 -0.56 1.13 2.02 -1.87 -2.96 112.91 112.06 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 0.64 2.49 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 1n3r h THR 34 CO 0.04 0.74 0.12 0.03 0.37 0.00 0.00 175.52 176.82 1n3r h ARG 35 N 0.24 0.91 -0.34 6.66 3.08 -0.78 -1.71 114.38 122.43 1n3r h ARG 35 Ca -0.10 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 1n3r h ARG 35 Cb 1.66 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.59 1n3r h ARG 35 CO 0.18 0.86 0.08 0.87 -1.07 0.00 0.00 179.97 180.88 1n3r h LYS 36 N 0.81 0.56 -0.13 0.04 1.57 -1.48 -2.44 116.57 115.50 1n3r h LYS 36 Ca 0.17 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1n3r h LYS 36 Cb 0.37 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1n3r h LYS 36 CO 0.01 0.62 -0.07 0.66 -0.57 0.00 0.00 179.45 180.09 1n3r h SER 37 N 0.40 0.17 -0.14 0.86 4.64 -1.34 0.12 113.55 118.27 1n3r h SER 37 Ca 0.11 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.29 1n3r h SER 37 Cb 0.32 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1n3r h SER 37 CO 0.00 0.27 -0.34 -0.07 -0.87 0.00 0.00 176.83 175.82 1n3r h LEU 38 N 0.18 0.54 -0.28 5.97 3.38 -1.13 -1.17 115.31 122.79 1n3r h LEU 38 Ca 0.04 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 1n3r h LEU 38 Cb 0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1n3r h LEU 38 CO 0.01 1.02 0.12 0.40 0.09 0.00 0.00 178.44 180.09 1n3r h ILE 39 N 0.08 1.16 0.00 1.22 2.04 -1.14 0.57 117.51 121.45 1n3r h ILE 39 Ca -0.00 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1n3r h ILE 39 Cb 0.95 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1n3r h ILE 39 CO 0.07 0.17 -0.03 0.00 0.00 0.00 0.00 178.15 178.36 1n3r h ALA 40 N 0.97 1.62 0.31 1.87 0.00 -0.78 0.26 119.26 123.52 1n3r h ALA 40 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1n3r h ALA 40 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1n3r h ALA 40 CO -0.01 0.04 -0.15 0.78 0.00 0.00 0.00 179.25 179.91 1n3r h GLY 41 N 0.16 -0.43 0.92 0.00 0.00 0.35 -1.05 103.07 103.02 1n3r h GLY 41 Ca -0.00 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.52 1n3r h GLY 41 CO 0.00 -0.16 0.65 0.45 0.00 0.00 0.00 176.54 177.48 1n3r h HIS 42 N -0.74 1.22 -0.77 5.60 -0.00 -0.04 -1.82 115.15 118.59 1n3r h HIS 42 Ca -0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 1n3r h HIS 42 Cb 0.50 -0.41 -0.04 0.00 -0.00 0.00 0.00 27.41 27.46 1n3r h HIS 42 CO 0.02 0.72 0.45 0.52 -0.00 0.00 0.00 177.93 179.64 1n3r h MET 43 N 1.27 1.06 -0.45 2.45 2.86 -0.41 0.12 114.93 121.84 1n3r h MET 43 Ca 0.38 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.95 1n3r h MET 43 Cb -0.05 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.36 1n3r h MET 43 CO -0.11 0.77 0.23 1.15 1.06 0.00 0.00 176.91 180.01 1n3r h THR 44 N 1.07 0.98 -0.47 2.22 2.02 -0.44 0.94 112.91 119.22 1n3r h THR 44 Ca 0.28 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1n3r h THR 44 Cb -0.01 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1n3r h THR 44 CO -0.05 0.08 0.29 -0.33 0.37 0.00 0.00 175.52 175.88 1n3r h GLU 45 N 0.46 0.63 0.01 6.66 4.39 -0.51 -0.87 114.58 125.35 1n3r h GLU 45 Ca 0.19 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 1n3r h GLU 45 Cb 0.09 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1n3r h GLU 45 CO -0.13 0.46 -0.00 0.82 -1.16 0.00 0.00 179.01 179.00 1n3r h ILE 46 N 0.63 1.06 -0.20 3.13 2.04 -0.40 0.39 117.51 124.16 1n3r h ILE 46 Ca 0.17 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1n3r h ILE 46 Cb -0.01 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1n3r h ILE 46 CO -0.03 0.05 0.17 0.24 0.00 0.00 0.00 178.15 178.58 1n3r h MET 47 N -0.10 0.00 0.10 2.37 2.86 -0.58 0.56 114.93 120.14 1n3r h MET 47 Ca -0.00 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.37 1n3r h MET 47 Cb 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1n3r h MET 47 CO 0.00 0.00 -1.29 1.96 1.06 0.00 0.00 176.91 178.64 1n3r h GLN 48 N 0.00 0.21 0.00 1.72 4.20 -0.44 -1.10 115.11 119.70 1n3r h GLN 48 Ca 0.10 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.45 1n3r h GLN 48 Cb 0.43 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 1n3r h GLN 48 CO -0.00 1.12 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.21 1n3r h LEU 49 N 0.06 0.00 -2.20 1.46 3.38 0.12 0.88 115.31 119.01 1n3r h LEU 49 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1n3r h LEU 49 Cb 1.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 1n3r h LEU 49 CO 0.18 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.89 1n3r n LEU 50 N -3.11 3.25 -3.07 1.67 4.77 -0.41 -4.93 117.00 115.18 1n3r n LEU 50 Ca -0.01 -1.63 -0.21 0.00 -0.03 0.00 0.00 56.01 54.12 1n3r n LEU 50 Cb 0.19 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1n3r n LEU 50 CO 0.24 0.70 -0.05 0.59 -1.33 0.00 0.00 177.39 177.53 1n3r n ASN 51 N 0.99 -4.66 -4.80 -1.43 3.02 0.30 -4.95 115.26 103.73 1n3r n ASN 51 Ca 0.19 -0.25 -0.38 0.00 -0.03 0.00 0.00 54.58 54.11 1n3r n ASN 51 Cb 0.56 -3.83 -0.06 0.00 -0.61 0.00 0.00 39.78 35.84 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 -6.41 4.48 -0.86 3.41 1.43 -0.43 -4.99 118.68 115.31 1n3r s LEU 52 Ca 0.29 1.42 -0.22 0.00 -1.03 0.00 0.00 54.13 54.58 1n3r s LEU 52 Cb -0.14 -3.25 0.08 0.00 0.03 0.00 0.00 46.19 42.91 1n3r s LEU 52 CO 0.36 0.17 1.21 -0.62 0.23 0.00 0.00 176.35 177.70 1n3r s ASP 53 N -1.32 6.41 0.27 2.29 2.15 -1.26 -4.63 116.67 120.57 1n3r s ASP 53 Ca 0.36 -1.37 0.21 0.00 0.43 0.00 0.00 52.55 52.18 1n3r s ASP 53 Cb -0.20 -2.48 1.01 0.00 -0.30 0.00 0.00 42.92 40.95 1n3r s ASP 53 CO 0.22 -1.41 1.65 0.18 -0.17 0.00 0.00 175.17 175.65 1n3r n LEU 54 N 7.96 0.58 0.13 -1.34 4.77 -1.26 -1.80 117.00 126.03 1n3r n LEU 54 Ca 0.17 0.69 0.02 0.00 -0.03 0.00 0.00 56.01 56.87 1n3r n LEU 54 Cb 0.49 -0.68 0.39 0.00 -2.33 0.00 0.00 43.42 41.29 1n3r n LEU 54 CO 0.61 -0.71 0.88 0.00 -1.33 0.00 0.00 177.39 176.85 1n3r h ALA 55 N 2.15 1.51 -2.16 -1.18 0.00 -1.94 -3.29 119.26 114.35 1n3r h ALA 55 Ca 0.00 -0.21 -0.60 0.00 0.00 0.00 0.00 54.91 54.10 1n3r h ALA 55 Cb 0.20 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 17.95 1n3r h ALA 55 CO 0.00 0.35 0.91 -3.47 0.00 0.00 0.00 179.25 177.04 1n3r n ASP 56 N -4.27 3.19 0.00 0.00 2.03 -0.75 -4.79 116.55 111.96 1n3r n ASP 56 Ca -0.01 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.34 1n3r n ASP 56 Cb 0.27 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.28 1n3r n ASP 56 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1n3r n ASP 57 N 4.66 0.00 0.00 1.67 5.75 -1.26 -2.34 116.55 125.03 1n3r n ASP 57 Ca 0.19 0.14 0.00 0.00 -0.01 0.00 0.00 54.79 55.11 1n3r n ASP 57 Cb 0.29 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 -1.04 0.00 0.17 -1.12 2.88 -1.26 -4.54 113.62 108.70 1n3r n SER 58 Ca 0.00 0.04 0.07 0.00 -1.33 0.00 0.00 58.87 57.65 1n3r n SER 58 Cb 0.06 -0.44 0.38 0.00 -0.75 0.00 0.00 64.21 63.45 1n3r n SER 58 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n3r n LEU 59 N -2.34 0.36 0.08 2.46 4.77 -1.09 -3.10 117.00 118.14 1n3r n LEU 59 Ca 0.00 0.57 -0.12 0.00 -0.03 0.00 0.00 56.01 56.43 1n3r n LEU 59 Cb 0.00 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.52 1n3r n LEU 59 CO 0.00 -0.69 0.74 -0.03 -1.33 0.00 0.00 177.39 176.08 1n3r h MET 60 N 0.00 -0.32 -0.07 3.23 4.05 -1.53 -2.71 114.93 117.58 1n3r h MET 60 Ca 0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1n3r h MET 60 Cb 0.58 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1n3r h MET 60 CO 0.00 -0.21 0.00 0.39 0.23 0.00 0.00 176.91 177.32 1n3r n GLU 61 N -5.32 1.21 -0.03 0.39 -0.58 -1.18 -4.25 120.64 110.88 1n3r n GLU 61 Ca -0.06 -0.32 -0.13 0.00 -0.42 0.00 0.00 57.16 56.22 1n3r n GLU 61 Cb 0.23 -1.20 -0.09 0.00 -0.57 0.00 0.00 31.44 29.81 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 0.59 1.41 -0.53 2.62 2.02 -1.67 -1.75 112.91 115.60 1n3r h THR 62 Ca 0.00 -1.40 0.08 0.00 0.77 0.00 0.00 66.41 65.86 1n3r h THR 62 Cb 0.13 2.19 -0.06 0.00 -1.74 0.00 0.00 68.15 68.67 1n3r h THR 62 CO 0.00 0.39 0.18 -0.65 0.37 0.00 0.00 175.52 175.81 1n3r h PRO 63 N -0.30 0.35 -0.47 6.66 0.11 -1.76 0.27 132.00 136.86 1n3r h PRO 63 Ca 0.00 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.11 1n3r h PRO 63 Cb 0.68 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 1n3r h PRO 63 CO 0.03 0.23 0.31 1.25 -0.21 0.00 0.00 178.00 179.61 1n3r h HIS 64 N 0.36 0.53 0.05 0.65 -0.00 -1.83 0.23 115.15 115.13 1n3r h HIS 64 Ca 0.26 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.64 1n3r h HIS 64 Cb 0.30 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.53 1n3r h HIS 64 CO -0.17 0.32 -0.02 0.00 -0.00 0.00 0.00 177.93 178.06 1n3r h ARG 65 N 0.56 -0.06 -0.47 5.26 3.08 -0.09 -2.15 114.38 120.50 1n3r h ARG 65 Ca 0.18 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.27 1n3r h ARG 65 Cb 0.04 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1n3r h ARG 65 CO -0.04 0.53 0.31 0.82 -1.07 0.00 0.00 179.97 180.52 1n3r h ILE 66 N -0.73 1.03 0.07 2.04 2.04 -0.22 0.29 117.51 122.04 1n3r h ILE 66 Ca -0.01 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1n3r h ILE 66 Cb 0.62 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1n3r h ILE 66 CO 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 178.15 178.22 1n3r h ALA 67 N 1.73 -0.09 0.00 1.87 0.00 -0.54 -1.81 119.26 120.42 1n3r h ALA 67 Ca 0.19 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1n3r h ALA 67 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1n3r h ALA 67 CO -0.05 -0.40 -0.18 -0.22 0.00 0.00 0.00 179.25 178.40 1n3r h LYS 68 N -0.39 0.00 -0.09 0.00 3.11 -0.78 -2.31 116.57 116.10 1n3r h LYS 68 Ca -0.01 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.72 1n3r h LYS 68 Cb 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 1n3r h LYS 68 CO 0.02 0.18 -0.38 1.98 -2.81 0.00 0.00 179.45 178.44 1n3r h MET 69 N 0.00 0.43 -0.37 1.90 4.05 -0.73 -0.07 114.93 120.14 1n3r h MET 69 Ca -0.00 -0.33 -0.12 0.00 -0.28 0.00 0.00 59.70 58.96 1n3r h MET 69 Cb 0.40 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 1n3r h MET 69 CO 0.02 0.96 -0.28 1.88 0.23 0.00 0.00 176.91 179.73 1n3r h TYR 70 N -0.02 0.89 0.17 1.39 -1.99 -1.19 -1.31 116.97 114.91 1n3r h TYR 70 Ca -0.02 -0.22 -0.33 0.00 2.00 0.00 0.00 58.73 60.16 1n3r h TYR 70 Cb 1.02 -0.20 0.01 0.00 2.00 0.00 0.00 36.73 39.55 1n3r h TYR 70 CO 0.12 0.96 -1.60 0.28 -0.00 0.00 0.00 178.16 177.91 1n3r h VAL 71 N 0.66 1.10 -0.02 -2.88 2.07 -1.46 -3.33 116.25 112.39 1n3r h VAL 71 Ca 0.08 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.92 1n3r h VAL 71 Cb 0.80 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1n3r h VAL 71 CO 0.07 0.83 0.00 0.47 0.02 0.00 0.00 177.57 178.96 1n3r n ASP 72 N -3.55 1.60 0.00 0.57 8.00 -0.04 -4.62 116.55 118.51 1n3r n ASP 72 Ca -0.19 -1.31 0.00 0.00 0.71 0.00 0.00 54.79 54.00 1n3r n ASP 72 Cb 1.07 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.16 1n3r n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n3r n GLU 73 N 0.37 0.00 0.00 -1.24 1.02 -0.73 -4.71 120.64 115.35 1n3r n GLU 73 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1n3r n GLU 73 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.60 1n3r n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1n3r n ILE 74 N 0.00 0.62 -0.47 -3.67 -5.35 -0.57 -0.43 119.36 109.49 1n3r n ILE 74 Ca 0.00 0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.85 1n3r n ILE 74 Cb 0.00 -1.37 0.00 0.00 -1.74 0.00 0.00 39.64 36.53 1n3r n ILE 74 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1n3r n PHE 75 N -1.08 0.00 0.00 4.28 3.72 -1.25 -2.81 117.46 120.32 1n3r n PHE 75 Ca 0.00 -0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 1n3r n PHE 75 Cb 0.22 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1n3r n PHE 75 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1n3r n SER 76 N -0.24 0.00 0.18 4.37 3.41 0.43 -0.55 113.62 121.23 1n3r n SER 76 Ca 0.00 0.18 0.12 0.00 -0.26 0.00 0.00 58.87 58.91 1n3r n SER 76 Cb 0.34 -0.18 0.17 0.00 -0.26 0.00 0.00 64.21 64.28 1n3r n SER 76 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1n3r h GLY 77 N 0.00 0.00 2.00 5.00 0.00 -0.83 -3.26 103.07 105.98 1n3r h GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n3r h GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1n3r h LEU 78 N 0.00 0.00 -8.33 3.11 3.38 -0.92 -3.40 115.31 109.15 1n3r h LEU 78 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1n3r h LEU 78 Cb 0.96 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.43 1n3r h LEU 78 CO 0.00 0.00 -0.68 -0.62 0.09 0.00 0.00 178.44 177.23 1n3r s ASP 79 N -5.41 4.74 0.00 -0.43 2.15 -1.23 -4.97 116.67 111.52 1n3r s ASP 79 Ca -0.01 -0.69 0.06 0.00 0.43 0.00 0.00 52.55 52.35 1n3r s ASP 79 Cb 0.10 -1.79 0.39 0.00 -0.30 0.00 0.00 42.92 41.32 1n3r s ASP 79 CO 0.49 -0.14 0.78 -1.22 -0.17 0.00 0.00 175.17 174.91 1n3r n TYR 80 N 4.79 0.00 0.19 -5.34 4.02 -1.26 -1.77 117.16 117.79 1n3r n TYR 80 Ca -0.16 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.80 1n3r n TYR 80 Cb 0.48 0.00 0.28 0.00 -0.02 0.00 0.00 39.34 40.09 1n3r n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3r h ALA 81 N 2.27 0.90 0.00 -0.72 0.00 -1.92 -3.00 119.26 116.80 1n3r h ALA 81 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1n3r h ALA 81 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1n3r h ALA 81 CO 0.00 0.42 -0.25 0.09 0.00 0.00 0.00 179.25 179.52 1n3r n ASN 82 N -3.36 0.27 -4.45 0.00 3.02 -0.73 -4.95 115.26 105.06 1n3r n ASN 82 Ca 0.01 0.15 -0.43 0.00 -0.03 0.00 0.00 54.58 54.28 1n3r n ASN 82 Cb 0.55 -0.14 -0.00 0.00 -0.61 0.00 0.00 39.78 39.58 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 -1.53 -0.39 -2.65 3.10 7.35 -1.13 -4.88 117.46 117.32 1n3r n PHE 83 Ca 0.06 0.66 -0.41 0.00 -0.76 0.00 0.00 57.45 57.00 1n3r n PHE 83 Cb 0.34 -2.00 -0.04 0.00 0.35 0.00 0.00 39.48 38.13 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 -1.46 4.62 -0.54 -7.13 0.04 -1.26 -4.94 135.00 124.32 1n3r s PRO 84 Ca 0.62 1.53 -0.27 0.00 0.04 0.00 0.00 61.00 62.92 1n3r s PRO 84 Cb -0.66 -3.38 -0.09 0.00 0.04 0.00 0.00 34.50 30.42 1n3r s PRO 84 CO 0.58 0.07 2.45 1.17 0.04 0.00 0.00 177.00 181.32 1n3r n LYS 85 N 3.11 0.93 -2.00 4.56 4.81 -1.26 -4.93 118.16 123.38 1n3r n LYS 85 Ca 0.04 -0.01 -0.32 0.00 -0.87 0.00 0.00 58.31 57.15 1n3r n LYS 85 Cb 0.49 -3.25 0.01 0.00 0.02 0.00 0.00 35.03 32.29 1n3r n LYS 85 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1n3r s ILE 86 N 11.94 4.20 -0.21 3.15 -1.09 -1.26 -5.03 121.20 132.89 1n3r s ILE 86 Ca 1.02 0.91 -0.13 0.00 -2.23 0.00 0.00 60.65 60.22 1n3r s ILE 86 Cb -0.29 -3.55 0.06 0.00 -1.58 0.00 0.00 42.46 37.10 1n3r s ILE 86 CO 0.28 -0.74 0.53 0.42 -1.23 0.00 0.00 174.94 174.21 1n3r s THR 87 N -2.75 -0.01 0.04 2.92 -4.23 -1.26 -5.12 115.64 105.22 1n3r s THR 87 Ca 0.60 0.04 0.06 0.00 -1.18 0.00 0.00 61.69 61.21 1n3r s THR 87 Cb -0.13 -0.77 -0.02 0.00 1.34 0.00 0.00 72.50 72.92 1n3r s THR 87 CO 0.42 0.02 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.60 1n3r s LEU 88 N 1.28 2.16 -0.10 4.79 1.43 -1.26 -2.68 118.68 124.29 1n3r s LEU 88 Ca -0.08 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1n3r s LEU 88 Cb -0.06 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.41 1n3r s LEU 88 CO -0.13 0.08 -0.09 0.27 0.23 0.00 0.00 176.35 176.71 1n3r s ILE 89 N -0.80 3.48 0.01 -0.59 -4.36 -0.50 -4.93 121.20 113.51 1n3r s ILE 89 Ca 0.04 -0.54 -0.37 0.00 -0.26 0.00 0.00 60.65 59.52 1n3r s ILE 89 Cb -0.08 -2.44 -0.15 0.00 1.25 0.00 0.00 42.46 41.03 1n3r s ILE 89 CO 0.01 0.56 1.53 1.21 0.24 0.00 0.00 174.94 178.49 1n3r n GLU 90 N 2.84 1.46 -0.73 0.37 2.13 -1.26 -1.17 120.64 124.29 1n3r n GLU 90 Ca -0.18 0.53 -0.24 0.00 0.66 0.00 0.00 57.16 57.94 1n3r n GLU 90 Cb 0.53 -2.23 -0.02 0.00 0.27 0.00 0.00 31.44 29.98 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 3.74 3.98 0.25 4.31 5.15 0.51 -4.53 115.26 128.67 1n3r n ASN 91 Ca 0.20 -2.35 0.16 0.00 -0.60 0.00 0.00 54.58 51.99 1n3r n ASN 91 Cb 0.21 -1.03 0.63 0.00 -0.53 0.00 0.00 39.78 39.06 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 6.80 0.00 0.00 1.20 1.57 -1.85 -1.85 116.57 122.43 1n3r h LYS 92 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1n3r h LYS 92 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1n3r h LYS 92 CO 1.49 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 179.04 1n3r n MET 93 N -2.95 0.35 -3.73 3.15 2.81 -1.26 -4.91 117.12 110.58 1n3r n MET 93 Ca 0.01 0.04 -0.24 0.00 -1.81 0.00 0.00 57.70 55.70 1n3r n MET 93 Cb 0.31 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.34 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 -1.30 -3.47 -2.36 0.03 4.01 -0.69 -4.88 118.16 109.50 1n3r n LYS 94 Ca 0.12 0.54 -0.41 0.00 -0.51 0.00 0.00 58.31 58.05 1n3r n LYS 94 Cb 0.21 -4.80 -0.03 0.00 -0.51 0.00 0.00 35.03 29.91 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 -3.68 3.73 -0.46 -0.18 1.01 -1.26 -4.87 120.40 114.70 1n3r s VAL 95 Ca 0.14 0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.76 1n3r s VAL 95 Cb -0.04 -4.40 0.51 0.00 0.00 0.00 0.00 36.38 32.45 1n3r s VAL 95 CO 0.84 -1.17 1.70 -0.90 0.00 0.00 0.00 175.10 175.58 1n3r n ASP 96 N 9.87 5.04 -4.33 3.32 5.75 -1.26 -3.81 116.55 131.13 1n3r n ASP 96 Ca 0.13 -3.75 -0.17 0.00 -0.01 0.00 0.00 54.79 50.99 1n3r n ASP 96 Cb 0.49 -0.74 -0.10 0.00 -1.03 0.00 0.00 41.12 39.74 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 -3.54 1.33 -0.42 0.11 0.41 -1.26 -4.98 118.70 110.35 1n3r s GLU 97 Ca 0.56 -1.67 -0.28 0.00 -0.41 0.00 0.00 54.97 53.17 1n3r s GLU 97 Cb 0.46 -0.65 0.02 0.00 -1.78 0.00 0.00 34.13 32.18 1n3r s GLU 97 CO 0.02 -0.07 1.07 0.00 -0.49 0.00 0.00 175.26 175.79 1n3r s MET 98 N -3.85 3.82 -0.04 1.61 0.23 -1.26 -4.17 119.30 115.65 1n3r s MET 98 Ca 0.28 0.68 -0.29 0.00 -1.03 0.00 0.00 55.69 55.32 1n3r s MET 98 Cb 0.05 -3.85 -0.02 0.00 -1.53 0.00 0.00 34.83 29.48 1n3r s MET 98 CO 0.08 -1.17 0.98 0.08 -2.03 0.00 0.00 175.02 172.96 1n3r s VAL 99 N 4.03 4.85 -0.09 5.16 1.01 -0.10 -4.85 120.40 130.41 1n3r s VAL 99 Ca 0.45 2.02 0.03 0.00 0.00 0.00 0.00 61.98 64.49 1n3r s VAL 99 Cb -0.09 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1n3r s VAL 99 CO 0.25 0.11 -0.21 -0.89 0.00 0.00 0.00 175.10 174.36 1n3r s THR 100 N 1.36 1.79 -0.27 3.92 2.01 -1.26 -2.01 115.64 121.18 1n3r s THR 100 Ca 0.50 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 1n3r s THR 100 Cb -0.20 -1.57 0.03 0.00 0.01 0.00 0.00 72.50 70.78 1n3r s THR 100 CO 0.24 0.50 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.96 1n3r s VAL 101 N 0.44 3.04 0.30 3.82 1.01 0.82 -5.01 120.40 124.82 1n3r s VAL 101 Ca -0.18 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 60.75 1n3r s VAL 101 Cb -0.17 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1n3r s VAL 101 CO 0.07 0.06 0.18 0.00 0.00 0.00 0.00 175.10 175.41 1n3r s ARG 102 N 1.32 2.63 -1.40 2.72 1.70 -1.26 -0.73 118.95 123.92 1n3r s ARG 102 Ca -0.02 -1.30 -0.01 0.00 -0.47 0.00 0.00 55.73 53.93 1n3r s ARG 102 Cb -0.18 -2.38 0.01 0.00 -0.57 0.00 0.00 34.95 31.83 1n3r s ARG 102 CO -0.02 0.24 0.48 -0.25 -1.08 0.00 0.00 175.30 174.67 1n3r n ASP 103 N -1.18 -0.62 -4.72 -2.89 8.00 -1.17 -4.94 116.55 109.03 1n3r n ASP 103 Ca -0.05 -0.97 -0.41 0.00 0.71 0.00 0.00 54.79 54.07 1n3r n ASP 103 Cb 0.59 -3.22 -0.04 0.00 -0.02 0.00 0.00 41.12 38.44 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 -3.88 4.69 0.16 0.53 1.01 -0.24 -4.81 121.20 118.67 1n3r s ILE 104 Ca 0.04 2.02 -0.32 0.00 0.00 0.00 0.00 60.65 62.39 1n3r s ILE 104 Cb -0.02 -4.30 -0.10 0.00 0.01 0.00 0.00 42.46 38.05 1n3r s ILE 104 CO 0.88 0.25 1.57 -0.89 0.00 0.00 0.00 174.94 176.75 1n3r s THR 105 N 0.46 2.61 -0.18 2.92 2.01 -1.26 -0.69 115.64 121.52 1n3r s THR 105 Ca 0.48 0.43 -0.02 0.00 0.31 0.00 0.00 61.69 62.90 1n3r s THR 105 Cb -0.22 -3.28 0.05 0.00 0.01 0.00 0.00 72.50 69.06 1n3r s THR 105 CO 0.28 0.03 0.00 -0.22 -0.69 0.00 0.00 174.62 174.03 1n3r s LEU 106 N 1.18 1.38 -0.28 4.42 0.20 -0.76 -4.75 118.68 120.07 1n3r s LEU 106 Ca 0.70 -0.74 -0.03 0.00 0.69 0.00 0.00 54.13 54.75 1n3r s LEU 106 Cb -0.44 -0.72 0.03 0.00 -0.43 0.00 0.00 46.19 44.63 1n3r s LEU 106 CO 0.31 -0.26 -0.00 0.42 -0.29 0.00 0.00 176.35 176.53 1n3r s THR 107 N 1.76 3.18 0.24 3.68 -4.23 -1.26 -2.09 115.64 116.93 1n3r s THR 107 Ca -0.00 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.46 1n3r s THR 107 Cb -0.16 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.96 1n3r s THR 107 CO -0.07 0.05 0.13 -0.24 -0.54 0.00 0.00 174.62 173.95 1n3r n SER 108 N 4.70 0.53 -3.91 3.99 2.88 -0.43 -4.07 113.62 117.31 1n3r n SER 108 Ca -0.15 -2.39 -0.13 0.00 -1.33 0.00 0.00 58.87 54.87 1n3r n SER 108 Cb 0.46 0.81 -0.14 0.00 -0.75 0.00 0.00 64.21 64.59 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 -2.65 0.17 -0.16 2.46 2.01 -1.26 0.00 115.64 116.21 1n3r s THR 109 Ca 0.18 -0.16 -0.27 0.00 0.31 0.00 0.00 61.69 61.74 1n3r s THR 109 Cb 0.01 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 72.35 1n3r s THR 109 CO 0.13 -0.00 0.93 0.00 -0.69 0.00 0.00 174.62 174.98 1n3r n GLU 111 N 5.33 0.13 0.14 0.00 0.28 -0.54 0.54 120.64 126.52 1n3r n GLU 111 Ca 0.07 0.50 0.03 0.00 -0.16 0.00 0.00 57.16 57.60 1n3r n GLU 111 Cb 0.48 -1.82 0.02 0.00 1.43 0.00 0.00 31.44 31.55 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 -1.91 -3.40 113.55 111.04 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 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1n3r h SER 112 CO 0.00 0.50 0.00 1.41 -0.87 0.00 0.00 176.83 177.87 1n3r n HIS 113 N -3.20 0.00 -3.08 4.77 8.25 -0.76 -5.03 115.22 116.17 1n3r n HIS 113 Ca 0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.28 1n3r n HIS 113 Cb 0.74 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.89 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 -0.11 -1.92 -4.33 4.41 3.01 0.19 -5.00 117.46 113.72 1n3r n PHE 114 Ca 0.00 0.59 -0.29 0.00 1.01 0.00 0.00 57.45 58.76 1n3r n PHE 114 Cb 0.01 -4.07 -0.11 0.00 -0.01 0.00 0.00 39.48 35.29 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 -3.14 2.73 0.26 -4.37 1.01 -1.25 -4.88 120.40 110.76 1n3r s VAL 115 Ca 0.34 -1.60 -0.30 0.00 0.00 0.00 0.00 61.98 60.42 1n3r s VAL 115 Cb -0.15 -2.26 -0.14 0.00 0.00 0.00 0.00 36.38 33.83 1n3r s VAL 115 CO 0.42 0.06 1.21 0.41 0.00 0.00 0.00 175.10 177.20 1n3r n THR 116 N 0.71 1.45 -4.08 3.92 -1.04 -1.26 -1.03 114.28 112.95 1n3r n THR 116 Ca -0.15 -0.36 -0.32 0.00 -2.04 0.00 0.00 64.05 61.17 1n3r n THR 116 Cb 0.53 -1.20 -0.15 0.00 -1.82 0.00 0.00 70.33 67.69 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 -0.59 2.16 -0.28 12.58 1.01 0.10 -2.16 121.20 134.01 1n3r s ILE 117 Ca 0.64 -1.43 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 1n3r s ILE 117 Cb -0.70 -2.17 0.02 0.00 0.01 0.00 0.00 42.46 39.62 1n3r s ILE 117 CO 0.56 0.13 0.04 -0.62 0.00 0.00 0.00 174.94 175.04 1n3r s ASP 118 N 1.16 4.90 0.36 3.58 2.15 -0.22 -1.32 116.67 127.28 1n3r s ASP 118 Ca -0.05 -0.80 -0.07 0.00 0.43 0.00 0.00 52.55 52.06 1n3r s ASP 118 Cb -0.18 -1.81 0.02 0.00 -0.30 0.00 0.00 42.92 40.65 1n3r s ASP 118 CO -0.07 -0.18 0.59 -0.83 -0.17 0.00 0.00 175.17 174.50 1n3r s GLY 119 N 1.43 1.14 -0.00 2.66 0.00 -0.89 0.64 107.32 112.30 1n3r s GLY 119 Ca 0.01 -1.27 0.07 0.00 0.00 0.00 0.00 44.72 43.53 1n3r s GLY 119 CO 0.00 -0.77 -0.22 0.54 0.00 0.00 0.00 173.10 172.66 1n3r s LYS 120 N -2.76 1.69 0.01 2.90 3.01 0.13 -1.83 119.74 122.89 1n3r s LYS 120 Ca 0.25 -0.81 0.08 0.00 -1.01 0.00 0.00 55.97 54.48 1n3r s LYS 120 Cb -0.02 -1.67 -0.02 0.00 -1.01 0.00 0.00 37.83 35.10 1n3r s LYS 120 CO 0.18 0.45 -0.25 0.00 0.51 0.00 0.00 175.35 176.24 1n3r s ALA 121 N -0.57 2.24 -0.15 5.17 0.00 0.14 -0.99 121.76 127.59 1n3r s ALA 121 Ca 0.08 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.88 1n3r s ALA 121 Cb -0.08 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.50 1n3r s ALA 121 CO -0.00 0.54 -0.19 0.99 0.00 0.00 0.00 175.76 177.10 1n3r s THR 122 N -0.71 1.89 -0.06 0.00 2.01 0.77 -1.08 115.64 118.47 1n3r s THR 122 Ca 0.11 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.32 1n3r s THR 122 Cb -0.10 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 1n3r s THR 122 CO 0.01 0.51 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.52 1n3r s VAL 123 N 1.18 1.99 0.02 3.82 1.01 0.09 -1.42 120.40 127.09 1n3r s VAL 123 Ca 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1n3r s VAL 123 Cb -0.14 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1n3r s VAL 123 CO -0.08 0.56 -0.03 0.00 0.00 0.00 0.00 175.10 175.54 1n3r s ALA 124 N -0.15 0.11 0.15 5.51 0.00 -0.70 -0.13 121.76 126.55 1n3r s ALA 124 Ca -0.03 -0.52 -0.19 0.00 0.00 0.00 0.00 51.96 51.21 1n3r s ALA 124 Cb -0.13 0.13 0.05 0.00 0.00 0.00 0.00 23.12 23.17 1n3r s ALA 124 CO 0.03 -0.14 0.50 1.52 0.00 0.00 0.00 175.76 177.68 1n3r s TYR 125 N -1.28 -0.35 -0.29 0.00 1.13 -0.85 -0.54 117.35 115.17 1n3r s TYR 125 Ca -0.14 0.08 -0.07 0.00 -1.41 0.00 0.00 57.07 55.52 1n3r s TYR 125 Cb -0.09 0.41 -0.00 0.00 -1.10 0.00 0.00 41.96 41.18 1n3r s TYR 125 CO -0.01 -0.79 0.09 0.42 -2.51 0.00 0.00 175.55 172.75 1n3r s ILE 126 N -3.79 4.15 -0.04 -3.49 1.01 -0.89 -0.92 121.20 117.23 1n3r s ILE 126 Ca 0.03 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 1n3r s ILE 126 Cb 0.00 -3.08 -0.07 0.00 0.01 0.00 0.00 42.46 39.32 1n3r s ILE 126 CO -0.12 0.15 1.99 -2.84 0.00 0.00 0.00 174.94 174.12 1n3r s PRO 127 N 1.55 3.88 0.00 2.79 0.02 -1.25 -4.83 135.00 137.15 1n3r s PRO 127 Ca 0.04 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.46 1n3r s PRO 127 Cb -0.17 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 30.16 1n3r s PRO 127 CO 0.03 -1.25 0.00 1.17 -0.33 0.00 0.00 177.00 176.62 1n3r n LYS 128 N 7.82 0.00 -0.08 5.54 4.81 -1.26 -4.59 118.16 130.41 1n3r n LYS 128 Ca 0.22 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.61 1n3r n LYS 128 Cb 0.42 -0.04 -0.16 0.00 0.02 0.00 0.00 35.03 35.28 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 -0.06 0.19 -4.16 3.14 8.00 -1.26 -4.89 116.55 117.51 1n3r n ASP 129 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 1n3r n ASP 129 Cb 0.00 1.19 -0.14 0.00 -0.02 0.00 0.00 41.12 42.15 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 -5.19 1.84 -0.34 -2.24 1.04 -1.26 -0.36 113.70 107.18 1n3r s SER 130 Ca -0.09 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 55.81 1n3r s SER 130 Cb 0.07 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.06 1n3r s SER 130 CO 0.82 0.09 0.17 -0.69 0.98 0.00 0.00 173.24 174.61 1n3r s VAL 131 N -0.72 4.57 0.70 5.02 1.01 -0.31 -4.80 120.40 125.87 1n3r s VAL 131 Ca 0.04 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1n3r s VAL 131 Cb -0.08 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1n3r s VAL 131 CO 0.01 -0.06 1.06 -0.51 0.00 0.00 0.00 175.10 175.60 1n3r s ILE 132 N 1.58 3.93 0.21 2.22 2.07 -1.26 -1.41 121.20 128.54 1n3r s ILE 132 Ca 0.03 0.64 -0.30 0.00 -1.41 0.00 0.00 60.65 59.61 1n3r s ILE 132 Cb -0.18 -3.34 -0.08 0.00 0.13 0.00 0.00 42.46 38.99 1n3r s ILE 132 CO 0.06 -0.81 1.01 -0.83 -1.91 0.00 0.00 174.94 172.47 1n3r s GLY 133 N -3.70 3.03 0.08 1.50 0.00 -1.09 -4.91 107.32 102.23 1n3r s GLY 133 Ca 0.59 0.72 -0.26 0.00 0.00 0.00 0.00 44.72 45.77 1n3r s GLY 133 CO 0.54 1.41 1.41 1.41 0.00 0.00 0.00 173.10 177.87 1n3r h LEU 134 N 4.53 -1.17 -1.40 0.66 3.38 -1.94 -2.56 115.31 116.81 1n3r h LEU 134 Ca -0.45 0.12 0.36 0.00 0.09 0.00 0.00 57.88 58.01 1n3r h LEU 134 Cb 1.21 0.43 -0.11 0.00 0.09 0.00 0.00 40.66 42.27 1n3r h LEU 134 CO 0.69 -0.42 0.77 0.77 0.09 0.00 0.00 178.44 180.35 1n3r h SER 135 N -0.58 0.32 -0.61 -0.43 4.64 -2.00 0.22 113.55 115.12 1n3r h SER 135 Ca -0.01 0.11 0.12 0.00 -0.47 0.00 0.00 61.79 61.54 1n3r h SER 135 Cb 0.57 0.08 -0.09 0.00 -0.31 0.00 0.00 62.40 62.65 1n3r h SER 135 CO -0.20 -0.07 0.10 0.11 -0.87 0.00 0.00 176.83 175.90 1n3r h LYS 136 N 0.21 0.22 -0.31 4.77 1.79 -1.86 0.13 116.57 121.52 1n3r h LYS 136 Ca 0.72 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 59.23 1n3r h LYS 136 Cb 2.12 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 32.67 1n3r h LYS 136 CO -0.36 0.14 -0.00 0.82 -1.08 0.00 0.00 179.45 178.97 1n3r h ILE 137 N 0.23 0.77 -0.46 1.86 2.04 -0.62 0.52 117.51 121.84 1n3r h ILE 137 Ca 0.32 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.24 1n3r h ILE 137 Cb 0.49 0.67 -0.08 0.00 -0.74 0.00 0.00 36.82 37.17 1n3r h ILE 137 CO -0.43 0.02 -0.02 0.78 0.00 0.00 0.00 178.15 178.49 1n3r h ASN 138 N 0.09 -0.24 0.06 1.72 2.35 -0.98 -1.15 115.58 117.42 1n3r h ASN 138 Ca 0.15 0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1n3r h ASN 138 Cb 0.20 0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1n3r h ASN 138 CO -0.25 -0.08 -0.03 0.03 -1.65 0.00 0.00 177.43 175.45 1n3r h ARG 139 N 0.09 -0.07 -0.80 0.81 3.08 0.11 -1.50 114.38 116.09 1n3r h ARG 139 Ca 0.23 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.41 1n3r h ARG 139 Cb 0.34 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 1n3r h ARG 139 CO -0.40 -0.01 0.53 0.82 -1.07 0.00 0.00 179.97 179.83 1n3r h ILE 140 N -0.12 0.86 -0.07 2.04 2.04 0.44 0.13 117.51 122.82 1n3r h ILE 140 Ca -0.01 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1n3r h ILE 140 Cb 0.10 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1n3r h ILE 140 CO 0.01 0.11 -0.01 0.58 0.00 0.00 0.00 178.15 178.84 1n3r h VAL 141 N 0.60 1.27 0.00 1.67 2.07 -0.68 -3.13 116.25 118.05 1n3r h VAL 141 Ca 0.39 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1n3r h VAL 141 Cb 0.68 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1n3r h VAL 141 CO -0.15 0.24 -0.22 1.56 0.02 0.00 0.00 177.57 179.02 1n3r h GLN 142 N -0.18 0.00 -0.08 1.57 1.08 -0.21 -2.37 115.11 114.93 1n3r h GLN 142 Ca 0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1n3r h GLN 142 Cb 0.38 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1n3r h GLN 142 CO 0.01 0.22 0.03 0.35 -0.95 0.00 0.00 178.83 178.48 1n3r h PHE 143 N 0.00 0.12 0.00 2.96 3.57 -0.74 -1.83 116.94 121.02 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 0.65 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1n3r h PHE 143 CO 0.00 0.26 0.00 1.19 -2.23 0.00 0.00 178.31 177.53 1n3r n PHE 144 N -4.93 0.76 0.02 0.41 3.72 -1.19 -3.33 117.46 112.92 1n3r n PHE 144 Ca -0.06 0.24 -0.17 0.00 -0.05 0.00 0.00 57.45 57.41 1n3r n PHE 144 Cb 0.12 -0.89 -0.07 0.00 -0.94 0.00 0.00 39.48 37.71 1n3r n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1n3r h ALA 145 N 2.53 0.29 -0.91 4.37 0.00 -0.87 -3.37 119.26 121.30 1n3r h ALA 145 Ca 0.00 -0.65 -0.70 0.00 0.00 0.00 0.00 54.91 53.56 1n3r h ALA 145 Cb 0.61 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 1n3r h ALA 145 CO 0.00 0.71 2.15 1.04 0.00 0.00 0.00 179.25 183.16 1n3r n GLN 146 N -3.87 3.21 -3.55 0.00 1.13 -0.74 -4.14 117.38 109.42 1n3r n GLN 146 Ca -0.08 -3.32 -0.11 0.00 -1.94 0.00 0.00 57.00 51.56 1n3r n GLN 146 Cb 0.80 -3.33 -0.04 0.00 0.11 0.00 0.00 30.24 27.78 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 3.26 0.72 -0.25 -1.09 0.52 -1.12 -0.36 118.95 120.64 1n3r s ARG 147 Ca 0.50 0.00 -0.29 0.00 -0.52 0.00 0.00 55.73 55.42 1n3r s ARG 147 Cb 0.04 0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.82 1n3r s ARG 147 CO 0.03 -0.26 1.81 -2.14 0.02 0.00 0.00 175.30 174.76 1n3r s PRO 148 N -1.82 3.53 0.45 3.54 0.02 -1.26 -3.99 135.00 135.47 1n3r s PRO 148 Ca -0.00 1.69 0.07 0.00 0.02 0.00 0.00 61.00 62.78 1n3r s PRO 148 Cb -0.01 -4.16 -0.01 0.00 0.02 0.00 0.00 34.50 30.34 1n3r s PRO 148 CO -0.01 -1.62 0.32 -0.65 -0.33 0.00 0.00 177.00 174.71 1n3r s GLN 149 N 5.31 2.35 -0.11 5.54 -1.52 0.13 -4.49 119.66 126.87 1n3r s GLN 149 Ca 0.81 -1.78 -0.01 0.00 -1.95 0.00 0.00 55.36 52.43 1n3r s GLN 149 Cb -0.26 -2.16 0.03 0.00 -0.22 0.00 0.00 33.01 30.39 1n3r s GLN 149 CO 0.33 -0.29 -0.06 0.08 -0.25 0.00 0.00 175.29 175.09 1n3r s VAL 150 N -2.60 0.94 0.32 1.09 1.01 -1.26 -1.46 120.40 118.43 1n3r s VAL 150 Ca 0.41 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.19 1n3r s VAL 150 Cb -0.01 -0.99 0.30 0.00 0.00 0.00 0.00 36.38 35.69 1n3r s VAL 150 CO 0.24 0.34 1.84 -0.61 0.00 0.00 0.00 175.10 176.91 1n3r h GLN 151 N 8.20 0.80 0.43 2.72 4.15 -1.98 0.27 115.11 129.69 1n3r h GLN 151 Ca -0.28 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.08 1n3r h GLN 151 Cb 1.13 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 1n3r h GLN 151 CO 0.39 0.53 -0.27 0.93 -1.93 0.00 0.00 178.83 178.48 1n3r h GLU 152 N 0.82 -0.65 -0.59 1.69 3.07 -1.99 -1.69 114.58 115.25 1n3r h GLU 152 Ca 0.49 0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.36 1n3r h GLU 152 Cb 0.66 0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.69 1n3r h GLU 152 CO -0.26 -0.43 0.23 -0.09 -1.40 0.00 0.00 179.01 177.06 1n3r h ARG 153 N -0.67 0.86 -0.87 2.33 2.43 -1.67 -2.66 114.38 114.13 1n3r h ARG 153 Ca -0.05 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1n3r h ARG 153 Cb 0.55 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1n3r h ARG 153 CO 0.04 0.70 0.55 1.25 -1.51 0.00 0.00 179.97 181.01 1n3r h LEU 154 N 0.84 1.02 -0.64 3.80 5.85 -0.27 -1.64 115.31 124.27 1n3r h LEU 154 Ca 0.20 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1n3r h LEU 154 Cb 0.17 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1n3r h LEU 154 CO -0.02 0.76 0.31 0.74 -0.34 0.00 0.00 178.44 179.89 1n3r h THR 155 N 1.18 1.22 -0.53 1.05 2.02 -0.96 -2.40 112.91 114.50 1n3r h THR 155 Ca 0.31 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 1n3r h THR 155 Cb -0.09 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 1n3r h THR 155 CO -0.06 0.26 0.17 1.56 0.37 0.00 0.00 175.52 177.82 1n3r h GLN 156 N 0.89 0.81 -0.76 6.66 1.08 -1.31 -2.45 115.11 120.04 1n3r h GLN 156 Ca 0.22 -0.17 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 1n3r h GLN 156 Cb 0.13 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 1n3r h GLN 156 CO -0.03 0.74 0.27 1.96 -0.95 0.00 0.00 178.83 180.82 1n3r h GLN 157 N 0.72 1.16 -0.66 1.46 4.20 -1.03 -1.13 115.11 119.82 1n3r h GLN 157 Ca 0.17 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1n3r h GLN 157 Cb 0.26 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1n3r h GLN 157 CO -0.01 0.96 0.15 0.82 -0.67 0.00 0.00 178.83 180.08 1n3r h ILE 158 N 1.12 1.26 0.88 2.54 1.08 -1.35 -0.47 117.51 122.56 1n3r h ILE 158 Ca 0.25 -0.95 -0.04 0.00 -0.39 0.00 0.00 64.86 63.72 1n3r h ILE 158 Cb 0.26 0.58 0.01 0.00 -3.07 0.00 0.00 36.82 34.61 1n3r h ILE 158 CO -0.01 0.36 -0.42 0.25 -0.69 0.00 0.00 178.15 177.64 1n3r h LEU 159 N 1.00 -1.00 -0.06 1.44 5.85 -0.91 -0.49 115.31 121.15 1n3r h LEU 159 Ca 0.21 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.99 1n3r h LEU 159 Cb 0.37 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1n3r h LEU 159 CO 0.00 -0.65 -0.13 0.40 -0.34 0.00 0.00 178.44 177.72 1n3r h ILE 160 N -1.30 0.66 -0.37 4.05 1.08 -1.24 0.30 117.51 120.70 1n3r h ILE 160 Ca -0.12 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.42 1n3r h ILE 160 Cb 0.90 0.66 -0.09 0.00 -3.07 0.00 0.00 36.82 35.23 1n3r h ILE 160 CO 0.20 0.00 -0.38 0.00 -0.69 0.00 0.00 178.15 177.27 1n3r h ALA 161 N 0.82 -0.34 -0.71 1.87 0.00 -1.07 0.59 119.26 120.41 1n3r h ALA 161 Ca 0.07 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1n3r h ALA 161 Cb 0.28 0.80 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1n3r h ALA 161 CO -0.17 -0.81 0.24 -0.07 0.00 0.00 0.00 179.25 178.43 1n3r h LEU 162 N -0.32 1.02 0.28 0.00 3.38 -0.65 -0.18 115.31 118.84 1n3r h LEU 162 Ca 0.14 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1n3r h LEU 162 Cb 0.57 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1n3r h LEU 162 CO -0.54 0.94 -0.30 1.56 0.09 0.00 0.00 178.44 180.20 1n3r h GLN 163 N 1.04 -0.60 -0.92 1.13 4.20 0.62 -0.83 115.11 119.74 1n3r h GLN 163 Ca 0.23 0.04 0.02 0.00 0.06 0.00 0.00 58.65 59.00 1n3r h GLN 163 Cb 0.28 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.15 1n3r h GLN 163 CO -0.01 -0.40 0.61 1.15 -0.67 0.00 0.00 178.83 179.51 1n3r h THR 164 N -0.62 1.20 -0.21 -0.54 2.02 -0.78 0.13 112.91 114.12 1n3r h THR 164 Ca -0.01 -0.42 -0.19 0.00 0.77 0.00 0.00 66.41 66.57 1n3r h THR 164 Cb 0.57 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1n3r h THR 164 CO -0.07 0.22 -0.62 -0.07 0.37 0.00 0.00 175.52 175.35 1n3r h LEU 165 N 1.21 0.81 -0.37 2.58 3.38 -0.77 -3.17 115.31 118.98 1n3r h LEU 165 Ca 0.35 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1n3r h LEU 165 Cb -0.08 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1n3r h LEU 165 CO -0.09 1.24 -0.30 0.18 0.09 0.00 0.00 178.44 179.55 1n3r n LEU 166 N -3.96 0.88 -3.51 1.67 4.77 -0.34 -4.96 117.00 111.55 1n3r n LEU 166 Ca -0.05 -0.19 -0.19 0.00 -0.03 0.00 0.00 56.01 55.56 1n3r n LEU 166 Cb 0.66 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.66 1n3r n LEU 166 CO 0.50 0.17 0.04 0.61 -1.33 0.00 0.00 177.39 177.38 1n3r n GLY 167 N 1.37 -0.39 3.59 -0.72 0.00 0.38 -4.67 105.19 104.74 1n3r n GLY 167 Ca 0.11 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.47 0.00 -1.79 2.61 2.01 -0.76 -4.84 115.64 109.41 1n3r s THR 168 Ca 0.03 0.00 0.27 0.00 0.31 0.00 0.00 61.69 62.30 1n3r s THR 168 Cb -0.01 -1.00 0.29 0.00 0.01 0.00 0.00 72.50 71.79 1n3r s THR 168 CO 0.76 0.00 1.58 0.59 -0.69 0.00 0.00 174.62 176.86 1n3r n ASN 169 N 1.74 1.04 -4.30 3.53 3.02 -1.26 -4.33 115.26 114.70 1n3r n ASN 169 Ca -0.15 -0.92 -0.43 0.00 -0.03 0.00 0.00 54.58 53.05 1n3r n ASN 169 Cb 0.56 0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 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 -0.61 4.81 -3.85 6.41 3.02 -1.26 -0.26 115.26 123.53 1n3r n ASN 170 Ca 0.13 -2.94 -0.12 0.00 -0.03 0.00 0.00 54.58 51.61 1n3r n ASN 170 Cb 0.35 -1.66 -0.14 0.00 -0.61 0.00 0.00 39.78 37.72 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 2.93 -0.00 -0.05 2.41 1.01 -1.25 -2.08 120.40 123.36 1n3r s VAL 171 Ca 0.48 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.50 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 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 175.10 175.00 1n3r s ALA 172 N 0.08 1.22 -0.04 5.51 0.00 0.30 -1.00 121.76 127.83 1n3r s ALA 172 Ca -0.00 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.53 1n3r s ALA 172 Cb -0.01 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 1n3r s ALA 172 CO -0.00 0.17 -0.17 0.08 0.00 0.00 0.00 175.76 175.84 1n3r s VAL 173 N 0.34 1.41 -0.02 0.00 1.01 0.17 -1.71 120.40 121.60 1n3r s VAL 173 Ca -0.08 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1n3r s VAL 173 Cb -0.12 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.07 1n3r s VAL 173 CO 0.02 0.41 0.03 -0.55 0.00 0.00 0.00 175.10 175.01 1n3r s SER 174 N 0.05 0.06 -0.08 3.32 0.15 -0.51 0.70 113.70 117.40 1n3r s SER 174 Ca -0.04 0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.67 1n3r s SER 174 Cb -0.11 -0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.15 1n3r s SER 174 CO 0.02 -0.11 -0.15 -0.63 1.20 0.00 0.00 173.24 173.57 1n3r s ILE 175 N 0.92 1.36 -0.24 6.45 1.01 0.64 -0.16 121.20 131.18 1n3r s ILE 175 Ca -0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 1n3r s ILE 175 Cb -0.11 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.15 1n3r s ILE 175 CO -0.03 0.41 -0.08 -0.62 0.00 0.00 0.00 174.94 174.62 1n3r s ASP 176 N 0.65 4.17 -0.01 3.58 2.15 -0.16 -0.38 116.67 126.67 1n3r s ASP 176 Ca -0.14 -0.80 -0.07 0.00 0.43 0.00 0.00 52.55 51.97 1n3r s ASP 176 Cb -0.16 -1.65 0.00 0.00 -0.30 0.00 0.00 42.92 40.81 1n3r s ASP 176 CO 0.04 -0.10 0.14 0.00 -0.17 0.00 0.00 175.17 175.08 1n3r s ALA 177 N 1.33 -0.33 -0.22 3.66 0.00 0.19 0.22 121.76 126.61 1n3r s ALA 177 Ca 0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.83 1n3r s ALA 177 Cb -0.16 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1n3r s ALA 177 CO -0.05 -0.18 0.21 0.08 0.00 0.00 0.00 175.76 175.82 1n3r s VAL 178 N -1.09 5.33 -0.31 0.00 1.01 0.21 -2.10 120.40 123.45 1n3r s VAL 178 Ca -0.12 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 1n3r s VAL 178 Cb -0.06 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1n3r s VAL 178 CO 0.01 0.34 0.20 -1.00 0.00 0.00 0.00 175.10 174.65 1n3r s HIS 179 N 1.00 3.21 -1.45 5.22 3.76 -1.26 -1.05 115.29 124.72 1n3r s HIS 179 Ca 0.11 -0.14 0.20 0.00 -0.15 0.00 0.00 55.06 55.07 1n3r s HIS 179 Cb -0.13 -2.41 1.02 0.00 1.11 0.00 0.00 32.58 32.16 1n3r s HIS 179 CO 0.04 -0.30 1.63 0.66 -0.85 0.00 0.00 174.74 175.93 1n3r n TYR 180 N 5.06 0.00 1.72 1.40 4.02 -0.92 -0.93 117.16 127.52 1n3r n TYR 180 Ca -0.13 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.91 1n3r n TYR 180 Cb 0.51 -0.27 0.76 0.00 -0.02 0.00 0.00 39.34 40.31 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 -0.69 0.37 -0.07 0.00 0.31 -0.29 -4.66 118.33 113.30 1n3r n VAL 182 Ca 0.20 -0.13 -0.12 0.00 -0.01 0.00 0.00 64.34 64.29 1n3r n VAL 182 Cb 0.22 -0.98 -0.10 0.00 -0.91 0.00 0.00 33.84 32.07 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 -0.07 0.00 -0.04 5.55 3.64 -0.99 -0.49 116.57 124.17 1n3r h LYS 183 Ca -0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1n3r h LYS 183 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1n3r h LYS 183 CO -0.05 0.76 0.00 0.00 -2.27 0.00 0.00 179.45 177.89 1n3r n ALA 184 N -2.76 2.59 -3.51 5.00 0.00 0.69 -3.92 120.51 118.60 1n3r n ALA 184 Ca -0.10 -0.37 -0.08 0.00 0.00 0.00 0.00 53.44 52.89 1n3r n ALA 184 Cb 0.39 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.95 0.77 7.14 0.00 3.00 -1.21 -4.97 118.95 121.72 1n3r s ARG 185 Ca 0.38 -0.27 0.00 0.00 -1.00 0.00 0.00 55.73 54.84 1n3r s ARG 185 Cb 0.20 0.36 0.00 0.00 0.00 0.00 0.00 34.95 35.50 1n3r s ARG 185 CO 0.31 -0.33 0.00 0.41 0.00 0.00 0.00 175.30 175.69 1n3r n GLY 186 N -0.20 2.05 0.24 8.12 0.00 -1.26 -3.08 105.19 111.07 1n3r n GLY 186 Ca -0.08 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 0.54 -5.92 -0.61 6.09 -1.88 -3.47 117.51 112.27 1n3r h ILE 187 Ca 0.00 -0.84 -0.39 0.00 -1.37 0.00 0.00 64.86 62.26 1n3r h ILE 187 Cb 0.00 1.57 0.10 0.00 0.47 0.00 0.00 36.82 38.95 1n3r h ILE 187 CO 0.00 0.17 -0.78 0.54 -3.07 0.00 0.00 178.15 175.02 1n3r n ARG 188 N -3.49 -6.10 -2.47 2.19 1.74 -0.98 -4.93 116.66 102.62 1n3r n ARG 188 Ca -0.01 0.73 -0.43 0.00 -0.77 0.00 0.00 57.85 57.38 1n3r n ARG 188 Cb 0.34 -5.58 -0.02 0.00 -1.02 0.00 0.00 32.46 26.18 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 -4.07 6.49 0.14 0.55 -1.08 -0.23 -4.86 116.67 113.62 1n3r s ASP 189 Ca 0.18 0.68 0.26 0.00 -0.52 0.00 0.00 52.55 53.15 1n3r s ASP 189 Cb -0.08 -2.54 0.94 0.00 -1.46 0.00 0.00 42.92 39.77 1n3r s ASP 189 CO 0.77 -1.33 1.78 0.00 0.52 0.00 0.00 175.17 176.91 1n3r n ALA 190 N 8.31 2.15 -0.02 3.66 0.00 -1.26 -3.83 120.51 129.52 1n3r n ALA 190 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1n3r n ALA 190 Cb 0.48 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.98 0.22 -1.07 0.00 -2.24 -1.26 -5.06 114.28 102.88 1n3r n THR 191 Ca 0.05 -0.23 -0.32 0.00 -2.27 0.00 0.00 64.05 61.29 1n3r n THR 191 Cb 0.35 -0.21 0.12 0.00 -2.10 0.00 0.00 70.33 68.49 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 -3.33 3.75 -0.25 3.42 1.04 -1.26 -5.07 113.70 112.01 1n3r s SER 192 Ca -0.03 2.12 -0.13 0.00 0.48 0.00 0.00 55.95 58.40 1n3r s SER 192 Cb 0.03 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.68 1n3r s SER 192 CO 0.30 -2.55 0.60 0.00 0.98 0.00 0.00 173.24 172.56 1n3r s ALA 193 N -2.55 -1.66 0.06 5.32 0.00 -1.26 -4.82 121.76 116.84 1n3r s ALA 193 Ca 0.67 2.13 -0.20 0.00 0.00 0.00 0.00 51.96 54.57 1n3r s ALA 193 Cb -0.23 -1.38 -0.06 0.00 0.00 0.00 0.00 23.12 21.45 1n3r s ALA 193 CO 0.54 -0.50 0.58 0.99 0.00 0.00 0.00 175.76 177.36 1n3r s THR 194 N 1.92 4.78 -0.06 0.00 2.01 -0.89 -4.89 115.64 118.51 1n3r s THR 194 Ca -0.08 1.23 0.06 0.00 0.31 0.00 0.00 61.69 63.20 1n3r s THR 194 Cb -0.08 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 1n3r s THR 194 CO -0.18 0.52 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.15 1n3r s THR 195 N -0.90 1.97 0.03 -0.82 2.01 -1.26 -0.63 115.64 116.04 1n3r s THR 195 Ca 0.29 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1n3r s THR 195 Cb -0.19 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 1n3r s THR 195 CO 0.19 0.55 -0.09 0.42 -0.69 0.00 0.00 174.62 174.99 1n3r s THR 196 N -0.07 0.71 0.03 -0.82 -4.23 0.49 -4.98 115.64 106.77 1n3r s THR 196 Ca -0.06 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1n3r s THR 196 Cb -0.14 -0.69 -0.02 0.00 1.34 0.00 0.00 72.50 72.99 1n3r s THR 196 CO 0.04 -0.13 -0.04 0.42 -0.54 0.00 0.00 174.62 174.37 1n3r s THR 197 N -0.89 0.21 -0.09 3.99 -4.23 -1.26 -0.26 115.64 113.11 1n3r s THR 197 Ca -0.03 -1.02 -0.03 0.00 -1.18 0.00 0.00 61.69 59.44 1n3r s THR 197 Cb -0.07 -0.43 0.04 0.00 1.34 0.00 0.00 72.50 73.37 1n3r s THR 197 CO 0.01 -0.51 0.06 -0.44 -0.54 0.00 0.00 174.62 173.19 1n3r s SER 198 N -1.60 1.65 -0.16 3.99 0.01 0.22 -4.98 113.70 112.83 1n3r s SER 198 Ca -0.13 -0.19 -0.03 0.00 1.31 0.00 0.00 55.95 56.92 1n3r s SER 198 Cb -0.09 -0.25 -0.02 0.00 0.21 0.00 0.00 66.02 65.87 1n3r s SER 198 CO -0.01 -0.27 -0.07 -0.76 0.41 0.00 0.00 173.24 172.54 1n3r s LEU 199 N 2.11 2.99 0.28 2.44 1.43 -1.26 -0.66 118.68 126.01 1n3r s LEU 199 Ca 0.04 -0.25 0.10 0.00 -1.03 0.00 0.00 54.13 52.98 1n3r s LEU 199 Cb -0.13 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 1n3r s LEU 199 CO -0.05 0.13 -0.03 -0.83 0.23 0.00 0.00 176.35 175.79 1n3r s GLY 200 N 0.60 1.76 0.00 -3.19 0.00 -0.17 -4.53 107.32 101.79 1n3r s GLY 200 Ca -0.04 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 42.94 1n3r s GLY 200 CO 0.03 -1.79 0.00 0.61 0.00 0.00 0.00 173.10 171.95 1n3r n GLY 201 N -0.86 2.70 0.33 0.20 0.00 0.64 -1.10 105.19 107.11 1n3r n GLY 201 Ca -0.06 -0.05 0.20 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.13 0.99 3.38 -1.95 0.40 115.31 118.00 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 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 1n3r n PHE 203 N -2.96 0.34 -0.06 1.13 3.72 -0.25 -1.62 117.46 117.75 1n3r n PHE 203 Ca -0.03 0.11 -0.13 0.00 -0.05 0.00 0.00 57.45 57.36 1n3r n PHE 203 Cb 0.16 -0.68 -0.04 0.00 -0.94 0.00 0.00 39.48 37.97 1n3r n PHE 203 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1n3r n LYS 204 N -1.79 0.33 0.03 -1.08 4.81 0.07 -4.30 118.16 116.23 1n3r n LYS 204 Ca 0.05 0.14 -0.19 0.00 -0.87 0.00 0.00 58.31 57.43 1n3r n LYS 204 Cb 0.29 -1.06 -0.11 0.00 0.02 0.00 0.00 35.03 34.17 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 -0.58 0.77 -1.67 3.14 4.64 -1.50 -3.41 113.55 114.93 1n3r h SER 205 Ca -0.26 -0.76 -0.65 0.00 -0.47 0.00 0.00 61.79 59.65 1n3r h SER 205 Cb 1.08 -0.24 -0.13 0.00 -0.31 0.00 0.00 62.40 62.80 1n3r h SER 205 CO -0.16 1.43 1.25 -0.55 -0.87 0.00 0.00 176.83 177.93 1n3r s SER 206 N -7.10 6.59 0.44 4.97 0.15 -0.64 -4.86 113.70 113.24 1n3r s SER 206 Ca -0.11 -1.79 0.28 0.00 0.70 0.00 0.00 55.95 55.03 1n3r s SER 206 Cb 0.05 -2.49 1.36 0.00 -1.71 0.00 0.00 66.02 63.23 1n3r s SER 206 CO 0.89 -1.29 1.66 1.56 1.20 0.00 0.00 173.24 177.26 1n3r h GLN 207 N 9.22 0.15 0.62 5.44 7.50 -1.81 0.21 115.11 136.44 1n3r h GLN 207 Ca 0.20 -0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.31 1n3r h GLN 207 Cb 1.01 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.50 1n3r h GLN 207 CO 1.29 0.10 -0.39 -0.91 -1.50 0.00 0.00 178.83 177.42 1n3r h ASN 208 N 0.15 -0.98 -0.48 1.46 4.21 -1.90 -2.54 115.58 115.51 1n3r h ASN 208 Ca 0.76 0.06 -0.10 0.00 1.21 0.00 0.00 56.30 58.23 1n3r h ASN 208 Cb 2.34 0.29 -0.02 0.00 -1.12 0.00 0.00 38.32 39.81 1n3r h ASN 208 CO -0.36 -0.60 -0.06 0.74 -1.29 0.00 0.00 177.43 175.86 1n3r h THR 209 N -0.96 1.26 -0.86 2.81 2.02 -1.06 -3.07 112.91 113.06 1n3r h THR 209 Ca -0.08 -1.16 0.15 0.00 0.77 0.00 0.00 66.41 66.09 1n3r h THR 209 Cb 0.78 0.92 -0.06 0.00 -1.74 0.00 0.00 68.15 68.04 1n3r h THR 209 CO 0.07 0.41 0.56 -0.09 0.37 0.00 0.00 175.52 176.84 1n3r h ARG 210 N 0.84 0.60 0.00 6.66 2.43 -0.58 -1.95 114.38 122.38 1n3r h ARG 210 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1n3r h ARG 210 Cb 0.58 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1n3r h ARG 210 CO 0.03 0.40 -0.87 0.45 -1.51 0.00 0.00 179.97 178.47 1n3r h HIS 211 N 0.62 0.00 -0.57 2.20 3.86 -1.37 -2.87 115.15 117.02 1n3r h HIS 211 Ca 0.43 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.55 1n3r h HIS 211 Cb 0.76 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 1n3r h HIS 211 CO -0.00 0.00 0.02 0.93 0.86 0.00 0.00 177.93 179.73 1n3r h GLU 212 N 0.00 0.96 0.07 2.45 5.08 -1.28 -2.24 114.58 119.62 1n3r h GLU 212 Ca 0.00 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1n3r h GLU 212 Cb 0.91 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1n3r h GLU 212 CO 0.00 0.94 -0.03 0.35 -1.00 0.00 0.00 179.01 179.27 1n3r h PHE 213 N 0.89 -0.08 0.00 4.33 3.57 -1.57 -2.99 116.94 121.09 1n3r h PHE 213 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1n3r h PHE 213 Cb 0.50 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1n3r h PHE 213 CO 0.03 -0.05 0.53 -0.07 -2.23 0.00 0.00 178.31 176.51 1n3r h LEU 214 N -0.16 0.00 0.15 0.59 3.38 -1.58 0.87 115.31 118.56 1n3r h LEU 214 Ca -0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 1n3r h LEU 214 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1n3r h LEU 214 CO 0.02 0.00 -1.61 -0.09 0.09 0.00 0.00 178.44 176.85 1n3r h ARG 215 N 0.00 0.32 -1.05 1.13 2.43 -1.46 -3.33 114.38 112.42 1n3r h ARG 215 Ca 0.00 -0.55 -0.18 0.00 -0.81 0.00 0.00 59.98 58.44 1n3r h ARG 215 Cb 1.05 0.20 -0.10 0.00 -0.42 0.00 0.00 29.97 30.70 1n3r h ARG 215 CO 0.00 1.26 0.23 0.00 -1.51 0.00 0.00 179.97 179.95 1n3r n ALA 216 N -2.92 3.64 -2.61 2.80 0.00 0.29 -4.86 120.51 116.84 1n3r n ALA 216 Ca -0.25 -0.99 -0.27 0.00 0.00 0.00 0.00 53.44 51.93 1n3r n ALA 216 Cb 0.99 -1.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.15 3.45 -0.33 0.00 1.01 -1.14 -4.84 120.40 117.41 1n3r s VAL 217 Ca 0.19 -1.49 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 1n3r s VAL 217 Cb 0.16 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.84 1n3r s VAL 217 CO 0.03 -0.08 0.38 -1.14 0.00 0.00 0.00 175.10 174.29 1n3r n ARG 218 N 0.07 -1.12 -4.31 2.72 0.00 -1.26 -5.06 116.66 107.69 1n3r n ARG 218 Ca -0.11 1.29 -0.25 0.00 -0.00 0.00 0.00 57.85 58.78 1n3r n ARG 218 Cb 0.55 -3.97 -0.09 0.00 0.00 0.00 0.00 32.46 28.95 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 -2.40 2.61 -0.10 -0.14 3.76 -1.26 -5.14 115.29 112.62 1n3r s HIS 219 Ca 0.08 -0.23 0.03 0.00 -0.15 0.00 0.00 55.06 54.79 1n3r s HIS 219 Cb -0.02 -1.22 0.00 0.00 1.11 0.00 0.00 32.58 32.45 1n3r s HIS 219 CO 0.45 0.57 -0.21 -1.58 -0.85 0.00 0.00 174.74 173.11 1n3r s HIS 220 N -1.98 2.37 0.00 1.40 2.46 -1.26 -4.87 115.29 113.41 1n3r s HIS 220 Ca 0.27 -1.00 0.00 0.00 0.47 0.00 0.00 55.06 54.81 1n3r s HIS 220 Cb -0.08 -1.61 0.00 0.00 -0.13 0.00 0.00 32.58 30.77 1n3r s HIS 220 CO 0.17 -0.42 0.00 0.09 -2.47 0.00 0.00 174.74 172.10