#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 -5.14 113.62 113.64 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 0.00 0.00 -3.75 2.46 4.77 -1.26 -5.02 117.00 114.20 1n3r n LEU 3 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1n3r n LEU 3 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1n3r n LEU 3 CO 0.00 0.00 0.03 -0.55 -1.33 0.00 0.00 177.39 175.54 1n3r s SER 4 N 1.00 -0.15 0.05 -1.43 0.15 -1.26 -5.06 113.70 107.00 1n3r s SER 4 Ca 0.00 -0.10 -0.24 0.00 0.70 0.00 0.00 55.95 56.31 1n3r s SER 4 Cb 0.00 0.35 -0.17 0.00 -1.71 0.00 0.00 66.02 64.49 1n3r s SER 4 CO 0.00 -0.57 1.58 0.11 1.20 0.00 0.00 173.24 175.56 1n3r h LYS 5 N 3.39 0.01 -0.33 5.44 1.57 -2.00 -2.39 116.57 122.26 1n3r h LYS 5 Ca -0.31 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1n3r h LYS 5 Cb 1.19 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1n3r h LYS 5 CO 0.44 0.17 0.13 0.93 -0.57 0.00 0.00 179.45 180.55 1n3r h GLU 6 N -0.15 0.49 -0.87 3.15 3.07 -1.98 -2.41 114.58 115.88 1n3r h GLU 6 Ca 0.00 -0.09 0.15 0.00 -0.50 0.00 0.00 59.36 58.92 1n3r h GLU 6 Cb 0.16 -0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 27.93 1n3r h GLU 6 CO -0.00 0.49 0.57 0.00 -1.40 0.00 0.00 179.01 178.67 1n3r h ALA 7 N 0.97 1.88 0.58 3.43 0.00 -1.89 -0.92 119.26 123.31 1n3r h ALA 7 Ca 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1n3r h ALA 7 Cb 0.18 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n3r h ALA 7 CO -0.01 -0.12 -0.28 0.00 0.00 0.00 0.00 179.25 178.84 1n3r h ALA 8 N 1.60 -0.90 -0.93 0.00 0.00 -1.02 -0.49 119.26 117.51 1n3r h ALA 8 Ca 0.44 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.40 1n3r h ALA 8 Cb 0.75 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 1n3r h ALA 8 CO -0.19 -0.85 0.48 -0.07 0.00 0.00 0.00 179.25 178.62 1n3r h LEU 9 N -1.03 0.50 0.28 0.00 3.38 -1.10 0.37 115.31 117.70 1n3r h LEU 9 Ca -0.08 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1n3r h LEU 9 Cb 0.60 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1n3r h LEU 9 CO 0.13 0.07 -0.13 0.58 0.09 0.00 0.00 178.44 179.18 1n3r h VAL 10 N 0.51 0.75 0.12 1.22 2.07 -1.19 0.21 116.25 119.94 1n3r h VAL 10 Ca 0.58 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1n3r h VAL 10 Cb 1.07 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1n3r h VAL 10 CO -0.48 0.11 -0.46 -0.74 0.02 0.00 0.00 177.57 176.01 1n3r h HIS 11 N -0.68 -1.32 -0.20 1.57 -0.00 0.21 -0.01 115.15 114.71 1n3r h HIS 11 Ca -0.04 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 1n3r h HIS 11 Cb 0.47 0.56 -0.06 0.00 -0.00 0.00 0.00 27.41 28.39 1n3r h HIS 11 CO 0.02 -0.55 -0.16 0.93 -0.00 0.00 0.00 177.93 178.16 1n3r h GLU 12 N -0.70 -0.16 -0.53 5.26 5.08 -0.36 0.08 114.58 123.26 1n3r h GLU 12 Ca 0.01 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 1n3r h GLU 12 Cb 0.72 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.92 1n3r h GLU 12 CO -0.26 -0.11 0.02 0.00 -1.00 0.00 0.00 179.01 177.66 1n3r h ALA 13 N 0.95 0.52 -0.11 3.43 0.00 -0.09 0.87 119.26 124.83 1n3r h ALA 13 Ca 0.12 0.15 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1n3r h ALA 13 Cb 0.35 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1n3r h ALA 13 CO -0.30 -0.38 -0.55 -0.07 0.00 0.00 0.00 179.25 177.95 1n3r h LEU 14 N 0.13 0.35 -0.12 0.00 3.38 -0.52 -3.11 115.31 115.42 1n3r h LEU 14 Ca 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1n3r h LEU 14 Cb 0.41 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1n3r h LEU 14 CO -0.43 0.83 0.02 0.58 0.09 0.00 0.00 178.44 179.54 1n3r h VAL 15 N 0.24 1.22 -0.42 1.22 2.07 -0.03 0.33 116.25 120.88 1n3r h VAL 15 Ca 0.00 -0.68 0.12 0.00 0.82 0.00 0.00 66.70 66.96 1n3r h VAL 15 Cb 1.05 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1n3r h VAL 15 CO 0.09 0.20 0.42 0.00 0.02 0.00 0.00 177.57 178.30 1n3r h ALA 16 N 0.80 2.15 0.00 1.67 0.00 -0.83 0.17 119.26 123.22 1n3r h ALA 16 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n3r h ALA 16 Cb 0.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1n3r h ALA 16 CO 0.00 -0.64 -0.99 -2.13 0.00 0.00 0.00 179.25 175.50 1n3r n ARG 17 N -3.80 0.01 -2.18 0.00 3.00 -0.98 -4.96 116.66 107.75 1n3r n ARG 17 Ca 0.07 -0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.85 1n3r n ARG 17 Cb 0.60 -1.50 -0.00 0.00 0.00 0.00 0.00 32.46 31.56 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 1.50 0.13 0.18 5.14 0.00 0.59 -4.91 105.19 107.81 1n3r n GLY 18 Ca 0.04 -0.59 0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.03 1.27 -4.67 0.99 4.77 0.00 -4.99 117.00 113.33 1n3r n LEU 19 Ca -0.07 -0.61 -0.30 0.00 -0.03 0.00 0.00 56.01 54.99 1n3r n LEU 19 Cb 0.56 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.80 1n3r n LEU 19 CO 0.10 0.27 0.65 -1.61 -1.33 0.00 0.00 177.39 175.47 1n3r s GLU 20 N -2.49 1.00 0.15 3.23 0.41 -1.18 -4.88 118.70 114.95 1n3r s GLU 20 Ca 0.11 1.15 -0.30 0.00 -0.41 0.00 0.00 54.97 55.51 1n3r s GLU 20 Cb 0.14 -1.75 -0.07 0.00 -1.78 0.00 0.00 34.13 30.67 1n3r s GLU 20 CO 0.64 -2.51 1.07 0.99 -0.49 0.00 0.00 175.26 174.95 1n3r s THR 21 N -2.75 4.03 -0.66 3.63 2.01 -1.26 -4.91 115.64 115.73 1n3r s THR 21 Ca 0.65 1.72 -0.26 0.00 0.31 0.00 0.00 61.69 64.11 1n3r s THR 21 Cb -0.21 -4.10 -0.12 0.00 0.01 0.00 0.00 72.50 68.09 1n3r s THR 21 CO 0.58 0.28 2.42 -2.65 -0.69 0.00 0.00 174.62 174.57 1n3r n PRO 22 N 2.57 0.75 -4.50 4.92 -0.02 -1.26 -4.93 135.00 132.54 1n3r n PRO 22 Ca 0.03 -0.34 -0.30 0.00 -2.02 0.00 0.00 63.50 60.87 1n3r n PRO 22 Cb 0.47 -3.35 -0.13 0.00 -0.02 0.00 0.00 33.50 30.47 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 12.64 2.51 -0.17 2.45 1.02 -1.26 -5.13 118.68 130.74 1n3r s LEU 23 Ca 1.00 -0.58 -0.10 0.00 0.02 0.00 0.00 54.13 54.47 1n3r s LEU 23 Cb -0.24 -1.42 -0.05 0.00 0.02 0.00 0.00 46.19 44.50 1n3r s LEU 23 CO 0.22 0.21 0.15 -0.60 0.02 0.00 0.00 176.35 176.34 1n3r s ARG 24 N -1.82 4.02 -0.47 1.70 3.52 -1.26 -5.00 118.95 119.63 1n3r s ARG 24 Ca 0.15 -0.16 -0.46 0.00 -0.13 0.00 0.00 55.73 55.13 1n3r s ARG 24 Cb -0.10 -3.36 -0.20 0.00 -1.56 0.00 0.00 34.95 29.73 1n3r s ARG 24 CO 0.07 0.41 1.61 -2.30 -0.81 0.00 0.00 175.30 174.28 1n3r n PRO 25 N 3.14 0.13 -0.20 5.12 -0.02 -1.26 -4.77 135.00 137.15 1n3r n PRO 25 Ca -0.17 0.05 0.27 0.00 -2.02 0.00 0.00 63.50 61.63 1n3r n PRO 25 Cb 0.53 -1.57 0.68 0.00 -0.02 0.00 0.00 33.50 33.12 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 5.23 0.08 0.00 0.52 0.11 -2.06 -3.46 132.00 132.43 1n3r h PRO 26 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1n3r h PRO 26 Cb 1.36 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1n3r h PRO 26 CO 0.97 0.06 0.00 0.28 -0.21 0.00 0.00 178.00 179.10 1n3r n VAL 27 N -4.33 0.00 -3.93 3.15 0.31 -1.26 -4.68 118.33 107.59 1n3r n VAL 27 Ca 0.19 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.24 1n3r n VAL 27 Cb 0.91 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.81 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 3.50 -1.21 3.52 -3.43 -1.26 -5.03 115.29 111.38 1n3r s HIS 28 Ca 0.00 0.18 -0.13 0.00 -0.80 0.00 0.00 55.06 54.31 1n3r s HIS 28 Cb 0.00 -1.71 0.18 0.00 -1.43 0.00 0.00 32.58 29.62 1n3r s HIS 28 CO 0.00 0.55 1.42 0.39 -2.00 0.00 0.00 174.74 175.10 1n3r n GLU 29 N -0.19 3.39 -1.68 -0.38 1.02 -1.26 -4.98 120.64 116.55 1n3r n GLU 29 Ca -0.06 -3.89 -0.45 0.00 -0.02 0.00 0.00 57.16 52.73 1n3r n GLU 29 Cb 0.53 -3.00 -0.04 0.00 -0.02 0.00 0.00 31.44 28.90 1n3r n GLU 29 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1n3r n MET 30 N 5.38 2.27 -1.66 3.49 0.00 -1.26 -4.78 117.12 120.56 1n3r n MET 30 Ca 0.36 0.82 -0.65 0.00 -0.00 0.00 0.00 57.70 58.23 1n3r n MET 30 Cb 0.42 -2.61 -0.09 0.00 0.00 0.00 0.00 33.22 30.94 1n3r n MET 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1n3r n ASP 31 N 3.82 0.80 -0.16 6.12 2.03 -1.26 -4.78 116.55 123.12 1n3r n ASP 31 Ca 0.17 1.18 0.06 0.00 0.52 0.00 0.00 54.79 56.72 1n3r n ASP 31 Cb 0.30 -0.90 0.36 0.00 -0.72 0.00 0.00 41.12 40.16 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 4.33 0.64 1.35 1.67 -1.24 -2.01 0.68 115.58 120.99 1n3r h ASN 32 Ca -0.47 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.55 1n3r h ASN 32 Cb 1.39 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.30 1n3r h ASN 32 CO 0.86 0.42 0.00 -0.33 -1.29 0.00 0.00 177.43 177.09 1n3r h GLU 33 N 0.73 0.00 0.17 6.67 5.08 -2.01 -2.95 114.58 122.28 1n3r h GLU 33 Ca 0.30 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.36 1n3r h GLU 33 Cb 0.23 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.50 1n3r h GLU 33 CO -0.09 0.00 -1.35 1.15 -1.00 0.00 0.00 179.01 177.71 1n3r h THR 34 N 0.00 1.40 -0.18 1.13 2.02 -1.23 -3.10 112.91 112.95 1n3r h THR 34 Ca 0.00 -2.92 -0.10 0.00 0.77 0.00 0.00 66.41 64.16 1n3r h THR 34 Cb 0.67 2.97 -0.01 0.00 -1.74 0.00 0.00 68.15 70.04 1n3r h THR 34 CO 0.00 0.86 -0.34 0.03 0.37 0.00 0.00 175.52 176.44 1n3r h ARG 35 N 0.10 0.37 -0.44 6.66 3.08 -1.18 -2.00 114.38 120.97 1n3r h ARG 35 Ca -0.19 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 59.58 1n3r h ARG 35 Cb 2.05 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 32.07 1n3r h ARG 35 CO 0.23 0.66 -0.24 0.87 -1.07 0.00 0.00 179.97 180.42 1n3r h LYS 36 N 0.32 0.92 -0.03 0.04 1.57 -1.59 0.11 116.57 117.90 1n3r h LYS 36 Ca 0.04 -0.40 -0.12 0.00 -1.87 0.00 0.00 60.65 58.30 1n3r h LYS 36 Cb 0.75 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1n3r h LYS 36 CO 0.06 1.06 -0.54 0.66 -0.57 0.00 0.00 179.45 180.11 1n3r h SER 37 N 0.79 0.09 -0.07 0.86 4.64 -1.41 0.49 113.55 118.94 1n3r h SER 37 Ca 0.10 -0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 61.18 1n3r h SER 37 Cb 0.81 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1n3r h SER 37 CO 0.07 0.61 -0.72 -0.07 -0.87 0.00 0.00 176.83 175.86 1n3r h LEU 38 N 0.06 0.74 -0.23 5.97 3.38 -1.16 -0.97 115.31 123.11 1n3r h LEU 38 Ca -0.00 -0.69 -0.02 0.00 0.09 0.00 0.00 57.88 57.26 1n3r h LEU 38 Cb 0.98 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1n3r h LEU 38 CO 0.07 1.32 0.06 0.40 0.09 0.00 0.00 178.44 180.39 1n3r h ILE 39 N 0.22 1.20 -0.15 1.22 2.04 -0.58 -0.71 117.51 120.76 1n3r h ILE 39 Ca -0.07 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.18 1n3r h ILE 39 Cb 1.38 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1n3r h ILE 39 CO 0.14 0.21 0.12 0.00 0.00 0.00 0.00 178.15 178.62 1n3r h ALA 40 N 0.88 2.01 -0.26 1.87 0.00 -0.01 0.30 119.26 124.04 1n3r h ALA 40 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1n3r h ALA 40 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1n3r h ALA 40 CO -0.00 -0.19 -0.05 0.78 0.00 0.00 0.00 179.25 179.79 1n3r h GLY 41 N 0.00 0.54 0.90 0.00 0.00 0.24 -1.93 103.07 102.82 1n3r h GLY 41 Ca 0.07 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1n3r h GLY 41 CO -0.00 0.40 -0.16 0.45 0.00 0.00 0.00 176.54 177.23 1n3r h HIS 42 N 0.25 0.70 -0.90 5.60 -0.00 0.05 -1.94 115.15 118.91 1n3r h HIS 42 Ca 0.07 -0.18 0.12 0.00 -0.00 0.00 0.00 60.37 60.37 1n3r h HIS 42 Cb 0.51 -0.16 -0.07 0.00 -0.00 0.00 0.00 27.41 27.69 1n3r h HIS 42 CO 0.05 0.86 0.58 0.52 -0.00 0.00 0.00 177.93 179.93 1n3r h MET 43 N 0.34 0.80 -0.05 2.45 2.86 -0.96 0.11 114.93 120.49 1n3r h MET 43 Ca 0.06 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1n3r h MET 43 Cb 0.69 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1n3r h MET 43 CO 0.05 0.53 0.01 1.15 1.06 0.00 0.00 176.91 179.71 1n3r h THR 44 N 0.82 1.18 -0.83 2.22 2.02 -1.13 -1.16 112.91 116.03 1n3r h THR 44 Ca 0.43 -0.55 0.08 0.00 0.77 0.00 0.00 66.41 67.14 1n3r h THR 44 Cb 0.52 1.47 -0.07 0.00 -1.74 0.00 0.00 68.15 68.33 1n3r h THR 44 CO -0.20 0.15 0.50 -0.33 0.37 0.00 0.00 175.52 176.01 1n3r h GLU 45 N -0.14 0.85 -0.42 6.66 4.39 -0.26 -1.03 114.58 124.63 1n3r h GLU 45 Ca 0.01 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 1n3r h GLU 45 Cb 0.23 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1n3r h GLU 45 CO -0.00 0.56 -0.24 0.82 -1.16 0.00 0.00 179.01 178.99 1n3r h ILE 46 N 0.88 1.27 -0.58 3.13 2.04 -0.64 -1.49 117.51 122.12 1n3r h ILE 46 Ca 0.38 -1.38 -0.08 0.00 1.00 0.00 0.00 64.86 64.78 1n3r h ILE 46 Cb 0.26 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1n3r h ILE 46 CO -0.20 0.47 0.04 0.24 0.00 0.00 0.00 178.15 178.70 1n3r h MET 47 N 0.75 0.98 -0.44 2.37 2.86 -0.61 -1.54 114.93 119.29 1n3r h MET 47 Ca 0.10 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 1n3r h MET 47 Cb 0.79 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1n3r h MET 47 CO 0.07 0.94 0.00 1.96 1.06 0.00 0.00 176.91 180.93 1n3r h GLN 48 N 0.91 0.72 0.00 1.72 4.20 -1.02 -0.96 115.11 120.68 1n3r h GLN 48 Ca 0.17 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1n3r h GLN 48 Cb 0.47 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1n3r h GLN 48 CO 0.02 0.73 0.00 -0.07 -0.67 0.00 0.00 178.83 178.84 1n3r h LEU 49 N 0.68 0.00 -3.52 1.46 3.38 -0.31 0.23 115.31 117.23 1n3r h LEU 49 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1n3r h LEU 49 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1n3r h LEU 49 CO 0.02 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.73 1n3r n LEU 50 N -2.82 5.43 -4.09 1.67 4.77 -0.45 -4.94 117.00 116.56 1n3r n LEU 50 Ca -0.01 -2.96 -0.29 0.00 -0.03 0.00 0.00 56.01 52.73 1n3r n LEU 50 Cb 0.17 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.56 1n3r n LEU 50 CO 0.21 0.64 -0.26 0.59 -1.33 0.00 0.00 177.39 177.24 1n3r n ASN 51 N 0.41 -0.50 -4.82 -1.43 3.02 0.81 -4.95 115.26 107.80 1n3r n ASN 51 Ca 0.27 -1.08 -0.37 0.00 -0.03 0.00 0.00 54.58 53.37 1n3r n ASN 51 Cb 1.15 -2.63 -0.06 0.00 -0.61 0.00 0.00 39.78 37.62 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 -7.12 4.37 -1.03 3.41 1.43 -0.68 -5.01 118.68 114.05 1n3r s LEU 52 Ca 0.13 0.60 -0.23 0.00 -1.03 0.00 0.00 54.13 53.61 1n3r s LEU 52 Cb -0.07 -2.28 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 1n3r s LEU 52 CO 0.92 0.30 1.74 -0.62 0.23 0.00 0.00 176.35 178.93 1n3r s ASP 53 N -0.62 5.82 0.01 2.29 -1.08 -1.26 -4.60 116.67 117.22 1n3r s ASP 53 Ca 0.17 -1.30 0.09 0.00 -0.52 0.00 0.00 52.55 50.98 1n3r s ASP 53 Cb -0.13 -2.57 0.37 0.00 -1.46 0.00 0.00 42.92 39.12 1n3r s ASP 53 CO 0.06 -2.15 1.27 0.18 0.52 0.00 0.00 175.17 175.05 1n3r n LEU 54 N 11.52 0.01 0.23 -1.34 4.77 -1.26 -1.36 117.00 129.57 1n3r n LEU 54 Ca 0.39 0.50 0.14 0.00 -0.03 0.00 0.00 56.01 57.02 1n3r n LEU 54 Cb 0.48 -0.50 0.37 0.00 -2.33 0.00 0.00 43.42 41.44 1n3r n LEU 54 CO 0.65 -0.37 0.88 0.00 -1.33 0.00 0.00 177.39 177.22 1n3r h ALA 55 N 2.28 1.00 -2.48 -1.18 0.00 -1.95 -3.29 119.26 113.64 1n3r h ALA 55 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1n3r h ALA 55 Cb 0.14 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.96 1n3r h ALA 55 CO 0.00 0.00 1.05 0.34 0.00 0.00 0.00 179.25 180.64 1n3r s ASP 56 N -5.84 6.51 0.11 0.00 2.15 -0.46 -4.83 116.67 114.31 1n3r s ASP 56 Ca 0.05 2.63 0.05 0.00 0.43 0.00 0.00 52.55 55.71 1n3r s ASP 56 Cb 0.07 -2.57 0.27 0.00 -0.30 0.00 0.00 42.92 40.39 1n3r s ASP 56 CO 0.61 -0.95 1.00 -0.90 -0.17 0.00 0.00 175.17 174.77 1n3r n ASP 57 N 5.59 0.13 -0.03 -0.34 5.75 -1.26 -1.61 116.55 124.78 1n3r n ASP 57 Ca 0.17 0.41 -0.01 0.00 -0.01 0.00 0.00 54.79 55.35 1n3r n ASP 57 Cb 0.39 -0.40 -0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1n3r n ASP 57 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1n3r h SER 58 N 0.00 0.00 -0.12 -1.12 0.87 -1.93 -3.39 113.55 107.86 1n3r h SER 58 Ca 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1n3r h SER 58 Cb 0.42 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1n3r h SER 58 CO 0.00 0.36 0.12 -0.07 -0.53 0.00 0.00 176.83 176.71 1n3r h LEU 59 N -0.58 0.00 -0.94 2.23 3.38 -1.64 -3.34 115.31 114.43 1n3r h LEU 59 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1n3r h LEU 59 Cb 0.14 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.75 1n3r h LEU 59 CO 0.00 0.00 -0.42 0.80 0.09 0.00 0.00 178.44 178.91 1n3r n MET 60 N -3.93 -0.28 -0.19 1.13 1.56 -0.63 -0.83 117.12 113.94 1n3r n MET 60 Ca -0.00 1.44 0.06 0.00 -0.27 0.00 0.00 57.70 58.93 1n3r n MET 60 Cb 0.23 -2.13 0.17 0.00 2.15 0.00 0.00 33.22 33.64 1n3r n MET 60 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1n3r n GLU 61 N -5.32 1.88 0.23 2.12 -0.58 -1.25 -4.34 120.64 113.38 1n3r n GLU 61 Ca 0.07 -1.37 -0.15 0.00 -0.42 0.00 0.00 57.16 55.29 1n3r n GLU 61 Cb 0.34 -1.30 -0.08 0.00 -0.57 0.00 0.00 31.44 29.83 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 2.24 0.59 -1.02 2.62 2.02 -1.20 0.52 112.91 118.67 1n3r h THR 62 Ca 0.00 -0.22 0.26 0.00 0.77 0.00 0.00 66.41 67.22 1n3r h THR 62 Cb 0.51 0.69 -0.12 0.00 -1.74 0.00 0.00 68.15 67.50 1n3r h THR 62 CO 0.00 0.04 0.62 -0.65 0.37 0.00 0.00 175.52 175.90 1n3r h PRO 63 N -0.69 0.50 -0.46 6.66 0.11 -1.76 0.39 132.00 136.75 1n3r h PRO 63 Ca -0.06 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.92 1n3r h PRO 63 Cb 0.50 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1n3r h PRO 63 CO 0.09 0.33 -0.10 1.25 -0.21 0.00 0.00 178.00 179.37 1n3r h HIS 64 N 0.51 0.98 -0.02 0.65 2.76 -1.76 -2.10 115.15 116.17 1n3r h HIS 64 Ca 0.64 -0.21 -0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1n3r h HIS 64 Cb 1.35 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 30.06 1n3r h HIS 64 CO -0.01 0.96 -0.00 0.00 -1.30 0.00 0.00 177.93 177.58 1n3r h ARG 65 N 0.71 0.03 -0.88 5.26 3.08 0.20 -1.36 114.38 121.42 1n3r h ARG 65 Ca 0.12 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.24 1n3r h ARG 65 Cb 0.64 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.61 1n3r h ARG 65 CO 0.04 0.39 0.53 0.82 -1.07 0.00 0.00 179.97 180.69 1n3r h ILE 66 N -0.33 0.97 -0.03 2.04 2.04 -0.99 0.66 117.51 121.87 1n3r h ILE 66 Ca 0.00 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1n3r h ILE 66 Cb 0.38 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1n3r h ILE 66 CO 0.00 0.17 0.01 0.00 0.00 0.00 0.00 178.15 178.33 1n3r h ALA 67 N 1.45 0.03 -0.59 1.87 0.00 -1.27 0.20 119.26 120.95 1n3r h ALA 67 Ca 0.41 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1n3r h ALA 67 Cb 0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1n3r h ALA 67 CO -0.22 -0.44 0.25 -0.22 0.00 0.00 0.00 179.25 178.62 1n3r h LYS 68 N -0.02 0.87 0.02 0.00 3.64 -0.07 -1.43 116.57 119.58 1n3r h LYS 68 Ca 0.01 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1n3r h LYS 68 Cb 0.06 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1n3r h LYS 68 CO -0.00 0.74 -0.05 1.98 -2.27 0.00 0.00 179.45 179.84 1n3r h MET 69 N 0.81 -0.10 0.62 1.90 4.05 0.57 0.72 114.93 123.51 1n3r h MET 69 Ca 0.20 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.60 1n3r h MET 69 Cb 0.18 0.02 0.01 0.00 -0.80 0.00 0.00 31.60 31.01 1n3r h MET 69 CO -0.02 -0.07 -0.30 1.88 0.23 0.00 0.00 176.91 178.64 1n3r h TYR 70 N -0.10 -0.77 -0.03 1.39 -1.99 -0.37 -0.32 116.97 114.77 1n3r h TYR 70 Ca 0.02 -0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.61 1n3r h TYR 70 Cb 0.12 0.25 0.01 0.00 2.00 0.00 0.00 36.73 39.11 1n3r h TYR 70 CO -0.12 -0.48 -0.43 0.28 -0.00 0.00 0.00 178.16 177.42 1n3r h VAL 71 N -0.84 1.44 0.00 -2.88 2.07 -1.28 -3.18 116.25 111.59 1n3r h VAL 71 Ca -0.08 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.52 1n3r h VAL 71 Cb 0.64 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1n3r h VAL 71 CO 0.14 0.55 -1.00 0.47 0.02 0.00 0.00 177.57 177.75 1n3r n ASP 72 N -4.34 0.70 0.00 0.57 8.00 0.24 -4.37 116.55 117.34 1n3r n ASP 72 Ca -0.09 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1n3r n ASP 72 Cb 0.58 0.87 0.00 0.00 -0.02 0.00 0.00 41.12 42.55 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 -1.71 0.00 0.28 -1.24 1.02 -0.37 -4.62 120.64 114.00 1n3r n GLU 73 Ca 0.03 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.34 1n3r n GLU 73 Cb 0.38 0.00 0.94 0.00 -0.02 0.00 0.00 31.44 32.74 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 -0.05 -3.67 3.07 -1.35 -1.52 117.51 113.99 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 0.76 0.00 0.00 -0.27 0.00 0.00 36.82 37.31 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 -2.75 0.11 0.17 0.16 3.72 -1.20 -2.81 117.46 114.86 1n3r n PHE 75 Ca -0.02 -0.72 0.19 0.00 -0.05 0.00 0.00 57.45 56.84 1n3r n PHE 75 Cb 0.11 -0.11 0.80 0.00 -0.94 0.00 0.00 39.48 39.34 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 0.31 0.00 0.14 4.37 4.64 -1.35 0.27 113.55 121.93 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 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1n3r h SER 76 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1n3r n GLY 77 N -1.41 -0.85 0.18 -0.77 0.00 0.18 -2.85 105.19 99.67 1n3r n GLY 77 Ca 0.04 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.05 1n3r n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3r h LEU 78 N 0.00 0.00 -8.08 0.99 3.38 -0.97 -3.42 115.31 107.21 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 0.07 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.49 1n3r h LEU 78 CO 0.00 0.00 -0.76 -0.62 0.09 0.00 0.00 178.44 177.15 1n3r s ASP 79 N -5.26 4.29 0.00 -0.43 2.15 -1.13 -4.99 116.67 111.30 1n3r s ASP 79 Ca 0.07 -0.98 0.02 0.00 0.43 0.00 0.00 52.55 52.09 1n3r s ASP 79 Cb 0.09 -1.64 0.13 0.00 -0.30 0.00 0.00 42.92 41.21 1n3r s ASP 79 CO 0.58 -0.14 0.43 -1.22 -0.17 0.00 0.00 175.17 174.65 1n3r n TYR 80 N 4.62 0.00 0.11 -5.34 4.02 -1.26 -0.50 117.16 118.81 1n3r n TYR 80 Ca -0.16 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.70 1n3r n TYR 80 Cb 0.46 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.83 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 1.76 0.71 -0.03 -0.72 0.00 -1.94 -2.64 119.26 116.40 1n3r h ALA 81 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1n3r h ALA 81 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1n3r h ALA 81 CO 0.00 0.95 0.00 0.09 0.00 0.00 0.00 179.25 180.29 1n3r n ASN 82 N -3.58 0.52 -4.75 0.00 3.02 0.34 -4.85 115.26 105.97 1n3r n ASN 82 Ca -0.01 -1.37 -0.41 0.00 -0.03 0.00 0.00 54.58 52.76 1n3r n ASN 82 Cb 0.75 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.88 1n3r n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1n3r s PHE 83 N -1.96 3.04 0.81 3.10 5.36 -1.00 -4.97 117.98 122.36 1n3r s PHE 83 Ca 0.36 1.11 -0.12 0.00 -0.96 0.00 0.00 56.93 57.32 1n3r s PHE 83 Cb 0.17 -3.78 0.08 0.00 -0.34 0.00 0.00 43.02 39.16 1n3r s PHE 83 CO 0.28 -2.45 1.15 -1.25 -1.46 0.00 0.00 175.22 171.49 1n3r s PRO 84 N -0.60 1.77 -0.90 10.12 0.04 -1.26 -4.95 135.00 139.22 1n3r s PRO 84 Ca 0.57 1.53 -0.23 0.00 0.04 0.00 0.00 61.00 62.91 1n3r s PRO 84 Cb -0.41 -1.81 0.07 0.00 0.04 0.00 0.00 34.50 32.38 1n3r s PRO 84 CO 0.45 -2.06 1.28 0.15 0.04 0.00 0.00 177.00 176.85 1n3r s LYS 85 N -4.42 3.45 0.14 4.56 1.02 -1.26 -4.93 119.74 118.30 1n3r s LYS 85 Ca 0.68 -1.06 -0.31 0.00 0.02 0.00 0.00 55.97 55.30 1n3r s LYS 85 Cb -0.23 -4.88 -0.08 0.00 -0.52 0.00 0.00 37.83 32.11 1n3r s LYS 85 CO 0.52 -2.04 1.41 0.42 -0.92 0.00 0.00 175.35 174.73 1n3r s ILE 86 N 4.47 3.17 0.04 2.17 -1.09 -1.26 -5.02 121.20 123.67 1n3r s ILE 86 Ca 0.38 0.86 0.05 0.00 -2.23 0.00 0.00 60.65 59.71 1n3r s ILE 86 Cb -0.05 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.26 1n3r s ILE 86 CO -0.02 0.08 -0.16 0.42 -1.23 0.00 0.00 174.94 174.03 1n3r s THR 87 N 0.94 1.24 0.12 2.92 -4.23 -1.26 -5.10 115.64 110.26 1n3r s THR 87 Ca 0.64 -1.02 0.01 0.00 -1.18 0.00 0.00 61.69 60.14 1n3r s THR 87 Cb -0.38 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.31 1n3r s THR 87 CO 0.32 0.07 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.70 1n3r s LEU 88 N -1.09 2.21 -0.02 4.79 1.43 -1.26 -2.42 118.68 122.32 1n3r s LEU 88 Ca 0.03 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.04 1n3r s LEU 88 Cb -0.08 0.06 0.01 0.00 0.03 0.00 0.00 46.19 46.21 1n3r s LEU 88 CO 0.01 -0.58 -0.04 0.27 0.23 0.00 0.00 176.35 176.25 1n3r s ILE 89 N -3.78 0.35 -0.03 -0.59 -4.36 -0.62 -4.97 121.20 107.20 1n3r s ILE 89 Ca 0.18 -0.12 -0.37 0.00 -0.26 0.00 0.00 60.65 60.07 1n3r s ILE 89 Cb 0.06 -0.35 -0.16 0.00 1.25 0.00 0.00 42.46 43.27 1n3r s ILE 89 CO -0.01 0.13 1.52 1.21 0.24 0.00 0.00 174.94 178.03 1n3r n GLU 90 N 3.43 1.30 -0.89 0.37 2.13 -1.26 -0.77 120.64 124.95 1n3r n GLU 90 Ca -0.18 0.47 -0.31 0.00 0.66 0.00 0.00 57.16 57.80 1n3r n GLU 90 Cb 0.55 -2.15 -0.03 0.00 0.27 0.00 0.00 31.44 30.07 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 3.73 3.60 0.28 4.31 5.15 -1.06 -4.55 115.26 126.71 1n3r n ASN 91 Ca 0.21 -2.47 0.17 0.00 -0.60 0.00 0.00 54.58 51.89 1n3r n ASN 91 Cb 0.19 -1.07 0.70 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 7.13 0.00 -0.53 1.20 1.57 -1.89 -1.90 116.57 122.14 1n3r h LYS 92 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1n3r h LYS 92 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1n3r h LYS 92 CO 1.66 0.01 0.00 -1.33 -0.57 0.00 0.00 179.45 179.23 1n3r n MET 93 N -3.11 1.63 -3.80 3.15 2.81 -1.26 -4.90 117.12 111.63 1n3r n MET 93 Ca 0.00 -0.65 -0.27 0.00 -1.81 0.00 0.00 57.70 54.98 1n3r n MET 93 Cb 0.30 -1.40 0.01 0.00 -0.71 0.00 0.00 33.22 31.42 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 0.06 -0.63 -2.42 0.03 4.01 -0.72 -4.78 118.16 113.71 1n3r n LYS 94 Ca 0.06 0.01 -0.41 0.00 -0.51 0.00 0.00 58.31 57.45 1n3r n LYS 94 Cb 0.30 -1.26 -0.03 0.00 -0.51 0.00 0.00 35.03 33.53 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 3.75 -2.93 -0.18 1.01 -1.26 -4.79 120.40 112.32 1n3r s VAL 95 Ca 0.23 0.58 0.24 0.00 0.00 0.00 0.00 61.98 63.04 1n3r s VAL 95 Cb -0.13 -4.56 0.23 0.00 0.00 0.00 0.00 36.38 31.92 1n3r s VAL 95 CO 0.61 -1.36 1.30 -0.90 0.00 0.00 0.00 175.10 174.75 1n3r n ASP 96 N 9.70 2.94 -4.92 3.32 5.75 -1.26 -4.13 116.55 127.95 1n3r n ASP 96 Ca 0.10 -1.97 -0.20 0.00 -0.01 0.00 0.00 54.79 52.72 1n3r n ASP 96 Cb 0.49 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.55 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 -1.96 2.65 0.48 0.11 0.41 -1.26 -4.93 118.70 114.20 1n3r s GLU 97 Ca 0.29 -1.42 -0.06 0.00 -0.41 0.00 0.00 54.97 53.38 1n3r s GLU 97 Cb 0.20 -2.51 -0.04 0.00 -1.78 0.00 0.00 34.13 30.00 1n3r s GLU 97 CO 0.30 -0.20 0.79 0.00 -0.49 0.00 0.00 175.26 175.66 1n3r s MET 98 N -4.20 3.56 -0.08 1.61 0.23 -1.26 -4.04 119.30 115.12 1n3r s MET 98 Ca 0.50 0.23 0.05 0.00 -1.03 0.00 0.00 55.69 55.44 1n3r s MET 98 Cb -0.06 -2.37 -0.00 0.00 -1.53 0.00 0.00 34.83 30.87 1n3r s MET 98 CO 0.30 -0.21 -0.24 0.08 -2.03 0.00 0.00 175.02 172.91 1n3r s VAL 99 N -2.74 2.08 -0.09 5.16 1.01 0.05 -4.95 120.40 120.93 1n3r s VAL 99 Ca 0.48 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1n3r s VAL 99 Cb -0.10 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1n3r s VAL 99 CO 0.44 0.56 -0.13 -0.89 0.00 0.00 0.00 175.10 175.09 1n3r s THR 100 N 0.12 1.29 -0.22 3.92 2.01 -1.26 -1.25 115.64 120.25 1n3r s THR 100 Ca -0.12 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 1n3r s THR 100 Cb -0.16 -1.18 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 1n3r s THR 100 CO 0.07 0.39 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.68 1n3r s VAL 101 N 0.85 3.57 0.20 3.82 1.01 0.89 -4.99 120.40 125.75 1n3r s VAL 101 Ca -0.10 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.54 1n3r s VAL 101 Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1n3r s VAL 101 CO 0.01 0.42 -0.18 0.00 0.00 0.00 0.00 175.10 175.35 1n3r s ARG 102 N 1.37 1.38 -1.31 2.72 1.70 -1.26 -1.29 118.95 122.26 1n3r s ARG 102 Ca 0.04 -1.52 -0.05 0.00 -0.47 0.00 0.00 55.73 53.73 1n3r s ARG 102 Cb -0.14 -1.42 0.01 0.00 -0.57 0.00 0.00 34.95 32.83 1n3r s ARG 102 CO -0.01 0.28 1.06 -0.25 -1.08 0.00 0.00 175.30 175.29 1n3r n ASP 103 N -0.01 -4.09 -4.65 -2.89 8.00 -1.16 -4.95 116.55 106.80 1n3r n ASP 103 Ca -0.11 -0.62 -0.43 0.00 0.71 0.00 0.00 54.79 54.35 1n3r n ASP 103 Cb 0.58 -4.90 -0.02 0.00 -0.02 0.00 0.00 41.12 36.76 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 -3.36 4.44 0.00 0.53 1.01 -0.73 -4.83 121.20 118.26 1n3r s ILE 104 Ca 0.31 1.71 -0.33 0.00 0.00 0.00 0.00 60.65 62.34 1n3r s ILE 104 Cb -0.14 -4.21 -0.12 0.00 0.01 0.00 0.00 42.46 38.00 1n3r s ILE 104 CO 0.75 -0.27 1.83 0.41 0.00 0.00 0.00 174.94 177.65 1n3r n THR 105 N 5.59 0.46 -3.88 2.92 -1.04 -1.26 -1.99 114.28 115.08 1n3r n THR 105 Ca 0.13 -0.08 -0.30 0.00 -2.04 0.00 0.00 64.05 61.76 1n3r n THR 105 Cb 0.46 -1.89 -0.15 0.00 -1.82 0.00 0.00 70.33 66.93 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 3.33 2.85 -0.15 -4.42 0.20 -0.45 -4.81 118.68 115.23 1n3r s LEU 106 Ca 0.88 -1.51 -0.06 0.00 0.69 0.00 0.00 54.13 54.14 1n3r s LEU 106 Cb -0.64 -1.14 -0.04 0.00 -0.43 0.00 0.00 46.19 43.95 1n3r s LEU 106 CO 0.46 -0.33 0.05 0.42 -0.29 0.00 0.00 176.35 176.67 1n3r s THR 107 N 1.39 4.74 0.36 3.68 -4.23 -1.26 -1.85 115.64 118.46 1n3r s THR 107 Ca 0.03 -0.06 -0.07 0.00 -1.18 0.00 0.00 61.69 60.41 1n3r s THR 107 Cb -0.18 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.59 1n3r s THR 107 CO -0.13 0.52 0.58 -0.55 -0.54 0.00 0.00 174.62 174.50 1n3r s SER 108 N -0.10 0.62 -0.05 3.99 0.15 0.74 -4.36 113.70 114.69 1n3r s SER 108 Ca 0.06 -1.37 0.03 0.00 0.70 0.00 0.00 55.95 55.37 1n3r s SER 108 Cb -0.12 0.73 0.01 0.00 -1.71 0.00 0.00 66.02 64.92 1n3r s SER 108 CO 0.01 -1.43 -0.14 -0.89 1.20 0.00 0.00 173.24 172.00 1n3r s THR 109 N -2.82 1.21 -0.17 6.45 2.01 -1.25 0.11 115.64 121.17 1n3r s THR 109 Ca 0.26 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.40 1n3r s THR 109 Cb -0.02 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 1n3r s THR 109 CO 0.17 0.36 1.23 0.00 -0.69 0.00 0.00 174.62 175.69 1n3r n GLU 111 N 6.50 0.18 -0.03 0.00 0.28 -0.21 0.64 120.64 127.99 1n3r n GLU 111 Ca 0.13 0.11 -0.11 0.00 -0.16 0.00 0.00 57.16 57.13 1n3r n GLU 111 Cb 0.45 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.68 1n3r n GLU 111 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1n3r n SER 112 N -1.14 0.94 0.00 -1.84 3.41 -1.26 -4.54 113.62 109.19 1n3r n SER 112 Ca 0.05 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1n3r n SER 112 Cb 0.04 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1n3r n SER 112 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1n3r n HIS 113 N -3.06 0.00 -3.81 7.33 8.25 -1.08 -5.02 115.22 117.82 1n3r n HIS 113 Ca -0.22 -0.05 -0.25 0.00 -0.26 0.00 0.00 57.72 56.94 1n3r n HIS 113 Cb 1.07 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.18 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 -0.05 -1.79 -4.36 4.41 3.01 0.21 -4.97 117.46 113.92 1n3r n PHE 114 Ca 0.00 0.72 -0.20 0.00 1.01 0.00 0.00 57.45 58.98 1n3r n PHE 114 Cb 0.20 -3.90 -0.10 0.00 -0.01 0.00 0.00 39.48 35.67 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 -3.77 1.88 0.29 -4.37 1.01 -1.23 -4.90 120.40 109.30 1n3r s VAL 115 Ca 0.10 -2.14 -0.30 0.00 0.00 0.00 0.00 61.98 59.64 1n3r s VAL 115 Cb -0.03 -2.01 -0.12 0.00 0.00 0.00 0.00 36.38 34.22 1n3r s VAL 115 CO 0.86 -0.47 1.58 0.41 0.00 0.00 0.00 175.10 177.48 1n3r n THR 116 N -0.17 0.99 -4.01 3.92 -1.04 -1.26 -1.02 114.28 111.69 1n3r n THR 116 Ca -0.09 -0.25 -0.31 0.00 -2.04 0.00 0.00 64.05 61.36 1n3r n THR 116 Cb 0.59 -1.92 -0.15 0.00 -1.82 0.00 0.00 70.33 67.03 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 0.02 2.11 -0.29 12.58 1.01 0.30 -1.73 121.20 135.21 1n3r s ILE 117 Ca 0.65 -2.02 -0.08 0.00 0.00 0.00 0.00 60.65 59.20 1n3r s ILE 117 Cb -0.51 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 1n3r s ILE 117 CO 0.48 -0.41 0.11 -0.62 0.00 0.00 0.00 174.94 174.51 1n3r s ASP 118 N 1.03 5.35 0.39 3.58 2.15 -0.65 -0.19 116.67 128.34 1n3r s ASP 118 Ca 0.04 -0.42 -0.14 0.00 0.43 0.00 0.00 52.55 52.47 1n3r s ASP 118 Cb -0.19 -1.96 0.05 0.00 -0.30 0.00 0.00 42.92 40.52 1n3r s ASP 118 CO -0.08 -0.13 0.76 0.61 -0.17 0.00 0.00 175.17 176.16 1n3r n GLY 119 N 4.95 1.08 3.42 2.66 0.00 -0.77 0.35 105.19 116.88 1n3r n GLY 119 Ca -0.15 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1n3r n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n3r s LYS 120 N -2.15 1.88 0.03 1.61 3.01 0.21 -1.33 119.74 123.00 1n3r s LYS 120 Ca 0.17 -1.08 0.08 0.00 -1.01 0.00 0.00 55.97 54.12 1n3r s LYS 120 Cb -0.05 -2.09 -0.02 0.00 -1.01 0.00 0.00 37.83 34.66 1n3r s LYS 120 CO 0.13 0.51 -0.22 0.00 0.51 0.00 0.00 175.35 176.28 1n3r s ALA 121 N -0.93 1.89 -0.21 5.17 0.00 -0.84 0.21 121.76 127.05 1n3r s ALA 121 Ca 0.14 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1n3r s ALA 121 Cb -0.10 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.66 1n3r s ALA 121 CO 0.05 0.44 -0.13 0.99 0.00 0.00 0.00 175.76 177.11 1n3r s THR 122 N -0.73 1.86 -0.03 0.00 2.01 0.26 -1.77 115.64 117.23 1n3r s THR 122 Ca 0.09 -1.11 0.06 0.00 0.31 0.00 0.00 61.69 61.03 1n3r s THR 122 Cb -0.09 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 1n3r s THR 122 CO 0.01 0.23 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.29 1n3r s VAL 123 N 1.31 2.67 0.06 3.82 1.01 -0.41 -0.73 120.40 128.13 1n3r s VAL 123 Ca -0.01 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 1n3r s VAL 123 Cb -0.16 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 1n3r s VAL 123 CO -0.09 0.56 0.17 0.00 0.00 0.00 0.00 175.10 175.74 1n3r s ALA 124 N -0.71 -0.21 0.06 5.51 0.00 -0.78 -0.07 121.76 125.56 1n3r s ALA 124 Ca 0.11 -0.53 -0.26 0.00 0.00 0.00 0.00 51.96 51.28 1n3r s ALA 124 Cb -0.10 0.37 0.09 0.00 0.00 0.00 0.00 23.12 23.48 1n3r s ALA 124 CO 0.00 -0.43 0.76 1.52 0.00 0.00 0.00 175.76 177.62 1n3r s TYR 125 N -3.26 -0.44 -0.44 0.00 1.13 -0.38 -0.94 117.35 113.02 1n3r s TYR 125 Ca 0.00 0.31 -0.10 0.00 -1.41 0.00 0.00 57.07 55.87 1n3r s TYR 125 Cb 0.02 0.54 0.09 0.00 -1.10 0.00 0.00 41.96 41.51 1n3r s TYR 125 CO -0.08 -0.67 0.30 0.42 -2.51 0.00 0.00 175.55 173.01 1n3r s ILE 126 N -3.25 4.38 0.49 -3.49 1.01 -0.38 -0.77 121.20 119.20 1n3r s ILE 126 Ca 0.02 -1.42 -0.21 0.00 0.00 0.00 0.00 60.65 59.04 1n3r s ILE 126 Cb -0.01 -3.71 -0.09 0.00 0.01 0.00 0.00 42.46 38.66 1n3r s ILE 126 CO -0.10 -0.57 0.76 -2.65 0.00 0.00 0.00 174.94 172.38 1n3r n PRO 127 N 4.96 0.85 0.00 2.79 -0.02 -1.26 -4.82 135.00 137.51 1n3r n PRO 127 Ca -0.10 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1n3r n PRO 127 Cb 0.43 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 -0.02 0.00 0.00 -0.52 4.81 -1.26 -4.62 118.16 116.55 1n3r n LYS 128 Ca 0.11 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.63 1n3r n LYS 128 Cb 0.43 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.54 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 -0.84 2.25 -3.57 3.14 8.00 -1.26 -4.82 116.55 119.44 1n3r n ASP 129 Ca 0.00 -1.62 -0.13 0.00 0.71 0.00 0.00 54.79 53.74 1n3r n ASP 129 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 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 -1.26 -0.51 -0.20 -2.24 1.04 -1.26 -2.57 113.70 106.70 1n3r s SER 130 Ca 0.18 0.64 -0.06 0.00 0.48 0.00 0.00 55.95 57.18 1n3r s SER 130 Cb 0.13 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 1n3r s SER 130 CO 0.19 -0.40 0.04 -0.69 0.98 0.00 0.00 173.24 173.36 1n3r s VAL 131 N -0.86 4.40 0.52 5.02 1.01 0.05 -4.75 120.40 125.79 1n3r s VAL 131 Ca -0.04 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 1n3r s VAL 131 Cb -0.01 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1n3r s VAL 131 CO 0.03 0.43 0.89 -0.51 0.00 0.00 0.00 175.10 175.95 1n3r s ILE 132 N 0.80 4.77 0.22 2.22 2.07 -1.26 -1.58 121.20 128.44 1n3r s ILE 132 Ca 0.02 0.64 -0.30 0.00 -1.41 0.00 0.00 60.65 59.61 1n3r s ILE 132 Cb -0.14 -3.83 -0.09 0.00 0.13 0.00 0.00 42.46 38.54 1n3r s ILE 132 CO 0.02 -0.88 1.12 -0.83 -1.91 0.00 0.00 174.94 172.46 1n3r s GLY 133 N -3.83 2.91 0.07 1.50 0.00 -1.02 -4.96 107.32 101.99 1n3r s GLY 133 Ca 0.52 0.87 -0.22 0.00 0.00 0.00 0.00 44.72 45.89 1n3r s GLY 133 CO 0.44 1.63 1.36 1.41 0.00 0.00 0.00 173.10 177.93 1n3r h LEU 134 N 4.59 -1.05 -1.62 0.66 3.38 -1.95 -2.26 115.31 117.05 1n3r h LEU 134 Ca -0.45 0.11 0.41 0.00 0.09 0.00 0.00 57.88 58.04 1n3r h LEU 134 Cb 1.21 0.39 -0.10 0.00 0.09 0.00 0.00 40.66 42.26 1n3r h LEU 134 CO 0.70 -0.35 0.92 0.77 0.09 0.00 0.00 178.44 180.57 1n3r h SER 135 N -0.46 0.19 -0.96 -0.43 4.64 -2.00 0.77 113.55 115.30 1n3r h SER 135 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1n3r h SER 135 Cb 0.48 0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 1n3r h SER 135 CO -0.21 -0.06 0.62 0.11 -0.87 0.00 0.00 176.83 176.42 1n3r h LYS 136 N 0.11 1.27 -0.20 4.77 1.79 -1.80 0.42 116.57 122.94 1n3r h LYS 136 Ca 0.75 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 1n3r h LYS 136 Cb 2.53 -0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 32.89 1n3r h LYS 136 CO -0.24 0.86 0.13 0.82 -1.08 0.00 0.00 179.45 179.94 1n3r h ILE 137 N 1.31 1.06 -0.05 1.86 2.04 0.55 0.63 117.51 124.91 1n3r h ILE 137 Ca 0.35 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 66.11 1n3r h ILE 137 Cb -0.12 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1n3r h ILE 137 CO -0.07 0.06 -0.09 0.78 0.00 0.00 0.00 178.15 178.83 1n3r h ASN 138 N 0.26 -0.27 -0.08 1.72 2.35 -1.04 -0.80 115.58 117.73 1n3r h ASN 138 Ca 0.07 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1n3r h ASN 138 Cb -0.02 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1n3r h ASN 138 CO -0.02 -0.13 -0.02 0.03 -1.65 0.00 0.00 177.43 175.65 1n3r h ARG 139 N -0.13 0.00 -0.09 0.81 3.08 0.33 -1.70 114.38 116.68 1n3r h ARG 139 Ca 0.05 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.14 1n3r h ARG 139 Cb 0.20 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 1n3r h ARG 139 CO -0.13 0.00 -0.23 0.82 -1.07 0.00 0.00 179.97 179.37 1n3r h ILE 140 N 0.00 0.45 -0.60 2.04 2.04 0.47 0.11 117.51 122.02 1n3r h ILE 140 Ca 0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.02 1n3r h ILE 140 Cb 0.06 0.45 -0.10 0.00 -0.74 0.00 0.00 36.82 36.49 1n3r h ILE 140 CO -0.08 0.00 0.02 0.58 0.00 0.00 0.00 178.15 178.67 1n3r h VAL 141 N -0.31 0.53 0.00 1.67 2.07 -0.81 -0.96 116.25 118.43 1n3r h VAL 141 Ca 0.09 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 1n3r h VAL 141 Cb 0.44 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1n3r h VAL 141 CO -0.27 0.03 -0.32 1.56 0.02 0.00 0.00 177.57 178.59 1n3r h GLN 142 N 0.14 0.00 0.65 1.57 1.08 -0.48 -2.77 115.11 115.30 1n3r h GLN 142 Ca 0.31 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.49 1n3r h GLN 142 Cb 0.50 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1n3r h GLN 142 CO -0.49 0.32 -0.48 0.35 -0.95 0.00 0.00 178.83 177.58 1n3r h PHE 143 N 0.00 -1.30 0.00 2.96 3.57 0.61 -1.14 116.94 121.64 1n3r h PHE 143 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1n3r h PHE 143 Cb 0.79 0.48 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 1n3r h PHE 143 CO 0.00 -0.69 -0.15 0.74 -2.23 0.00 0.00 178.31 175.99 1n3r h PHE 144 N -1.09 0.00 -0.01 0.41 0.04 -1.57 -1.50 116.94 113.22 1n3r h PHE 144 Ca -0.08 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.59 1n3r h PHE 144 Cb 0.90 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1n3r h PHE 144 CO -0.17 0.15 -0.43 0.00 -0.60 0.00 0.00 178.31 177.25 1n3r h ALA 145 N 1.85 1.27 -0.06 2.45 0.00 -1.15 -3.28 119.26 120.33 1n3r h ALA 145 Ca -0.00 -0.40 -0.70 0.00 0.00 0.00 0.00 54.91 53.81 1n3r h ALA 145 Cb 0.49 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1n3r h ALA 145 CO 0.02 0.55 3.22 1.04 0.00 0.00 0.00 179.25 184.08 1n3r n GLN 146 N -4.02 3.11 -3.51 0.00 1.13 -0.47 -4.08 117.38 109.53 1n3r n GLN 146 Ca -0.02 -2.58 -0.13 0.00 -1.94 0.00 0.00 57.00 52.33 1n3r n GLN 146 Cb 0.46 -3.15 -0.04 0.00 0.11 0.00 0.00 30.24 27.62 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 2.74 0.93 -0.04 -1.09 0.52 -1.12 -0.64 118.95 120.24 1n3r s ARG 147 Ca 0.52 -0.02 -0.30 0.00 -0.52 0.00 0.00 55.73 55.41 1n3r s ARG 147 Cb 0.15 0.43 -0.05 0.00 0.52 0.00 0.00 34.95 36.00 1n3r s ARG 147 CO -0.08 -0.34 1.46 -2.14 0.02 0.00 0.00 175.30 174.22 1n3r s PRO 148 N -2.04 4.24 0.39 3.54 0.02 -1.26 -3.97 135.00 135.92 1n3r s PRO 148 Ca -0.03 1.99 0.08 0.00 0.02 0.00 0.00 61.00 63.06 1n3r s PRO 148 Cb -0.01 -3.72 -0.07 0.00 0.02 0.00 0.00 34.50 30.73 1n3r s PRO 148 CO -0.00 -0.68 -0.02 -0.65 -0.33 0.00 0.00 177.00 175.32 1n3r s GLN 149 N 3.03 1.92 -0.16 5.54 -1.52 0.19 -4.49 119.66 124.17 1n3r s GLN 149 Ca 0.65 -2.04 0.00 0.00 -1.95 0.00 0.00 55.36 52.03 1n3r s GLN 149 Cb -0.31 -1.68 0.03 0.00 -0.22 0.00 0.00 33.01 30.83 1n3r s GLN 149 CO 0.26 0.02 -0.12 0.08 -0.25 0.00 0.00 175.29 175.27 1n3r s VAL 150 N -2.67 1.53 0.26 1.09 1.01 -1.26 -1.05 120.40 119.31 1n3r s VAL 150 Ca 0.34 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 1n3r s VAL 150 Cb 0.07 -1.51 0.24 0.00 0.00 0.00 0.00 36.38 35.17 1n3r s VAL 150 CO 0.18 0.34 1.72 -0.61 0.00 0.00 0.00 175.10 176.73 1n3r h GLN 151 N 8.04 0.43 -0.79 2.72 4.15 -1.99 -0.78 115.11 126.89 1n3r h GLN 151 Ca -0.34 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.16 1n3r h GLN 151 Cb 1.12 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.66 1n3r h GLN 151 CO 0.50 0.28 0.52 0.93 -1.93 0.00 0.00 178.83 179.13 1n3r h GLU 152 N 0.44 0.69 0.02 1.69 3.07 -1.98 -2.45 114.58 116.06 1n3r h GLU 152 Ca 0.45 -0.04 -0.23 0.00 -0.50 0.00 0.00 59.36 59.04 1n3r h GLU 152 Cb 0.72 -0.16 0.02 0.00 -0.84 0.00 0.00 28.75 28.50 1n3r h GLU 152 CO -0.43 0.46 -0.90 -0.09 -1.40 0.00 0.00 179.01 176.65 1n3r h ARG 153 N 0.71 0.58 -0.31 2.33 2.43 -1.59 -3.23 114.38 115.30 1n3r h ARG 153 Ca 0.37 -0.64 0.06 0.00 -0.81 0.00 0.00 59.98 58.95 1n3r h ARG 153 Cb 0.47 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.16 1n3r h ARG 153 CO -0.14 1.25 -0.01 1.25 -1.51 0.00 0.00 179.97 180.81 1n3r h LEU 154 N 0.18 -0.15 -0.71 3.80 5.85 -0.91 -1.46 115.31 121.91 1n3r h LEU 154 Ca -0.12 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.78 1n3r h LEU 154 Cb 1.58 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 42.67 1n3r h LEU 154 CO 0.18 -0.04 0.32 0.74 -0.34 0.00 0.00 178.44 179.30 1n3r h THR 155 N 0.08 0.78 -0.65 1.05 2.02 -1.57 -0.87 112.91 113.75 1n3r h THR 155 Ca 0.15 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1n3r h THR 155 Cb 0.21 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1n3r h THR 155 CO -0.26 0.10 0.31 1.56 0.37 0.00 0.00 175.52 177.60 1n3r h GLN 156 N 0.53 0.93 -0.29 6.66 1.08 -1.43 -1.94 115.11 120.65 1n3r h GLN 156 Ca 0.36 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.41 1n3r h GLN 156 Cb 0.44 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1n3r h GLN 156 CO -0.31 0.74 0.14 1.96 -0.95 0.00 0.00 178.83 180.41 1n3r h GLN 157 N 0.89 0.42 -0.06 1.46 4.20 -0.17 -0.41 115.11 121.44 1n3r h GLN 157 Ca 0.22 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.91 1n3r h GLN 157 Cb 0.12 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 1n3r h GLN 157 CO -0.03 0.39 -0.21 0.82 -0.67 0.00 0.00 178.83 179.13 1n3r h ILE 158 N 0.34 0.49 0.00 2.54 1.08 -1.06 0.32 117.51 121.22 1n3r h ILE 158 Ca 0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.57 1n3r h ILE 158 Cb 0.11 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1n3r h ILE 158 CO -0.01 0.00 0.00 -0.11 -0.69 0.00 0.00 178.15 177.34 1n3r n LEU 159 N -5.34 0.00 -0.23 1.44 7.94 -0.75 -0.37 117.00 119.69 1n3r n LEU 159 Ca -0.04 0.85 -0.04 0.00 -1.11 0.00 0.00 56.01 55.67 1n3r n LEU 159 Cb 0.26 -0.35 0.02 0.00 0.53 0.00 0.00 43.42 43.88 1n3r n LEU 159 CO 0.21 -0.35 0.64 0.40 -1.11 0.00 0.00 177.39 177.18 1n3r h ILE 160 N 0.00 0.17 -0.43 1.96 1.08 -0.98 0.26 117.51 119.57 1n3r h ILE 160 Ca 0.00 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 1n3r h ILE 160 Cb 0.00 0.17 -0.08 0.00 -3.07 0.00 0.00 36.82 33.84 1n3r h ILE 160 CO 0.00 0.00 -0.11 0.00 -0.69 0.00 0.00 178.15 177.35 1n3r h ALA 161 N 1.16 0.27 -0.37 1.87 0.00 -0.18 -0.09 119.26 121.92 1n3r h ALA 161 Ca 0.26 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 1n3r h ALA 161 Cb 0.55 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1n3r h ALA 161 CO -0.73 -0.46 0.09 -0.07 0.00 0.00 0.00 179.25 178.09 1n3r h LEU 162 N -0.01 0.56 -0.67 0.00 3.38 0.11 -1.85 115.31 116.83 1n3r h LEU 162 Ca 0.21 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.04 1n3r h LEU 162 Cb 0.33 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1n3r h LEU 162 CO -0.45 0.64 0.31 1.56 0.09 0.00 0.00 178.44 180.59 1n3r h GLN 163 N 0.45 0.52 0.81 1.13 4.20 0.15 0.10 115.11 122.47 1n3r h GLN 163 Ca 0.12 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 1n3r h GLN 163 Cb 0.30 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 27.97 1n3r h GLN 163 CO 0.00 0.35 -0.39 1.15 -0.67 0.00 0.00 178.83 179.27 1n3r h THR 164 N 0.54 0.19 -0.62 -0.54 2.02 -0.78 0.21 112.91 113.93 1n3r h THR 164 Ca 0.33 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.49 1n3r h THR 164 Cb 0.35 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 1n3r h THR 164 CO -0.27 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 175.94 1n3r h LEU 165 N -1.12 0.63 -0.33 2.58 3.38 -1.08 -2.60 115.31 116.78 1n3r h LEU 165 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1n3r h LEU 165 Cb 0.84 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1n3r h LEU 165 CO 0.18 0.44 0.00 -0.07 0.09 0.00 0.00 178.44 179.08 1n3r h LEU 166 N 0.76 0.00 -0.47 1.67 3.38 -0.79 -3.48 115.31 116.38 1n3r h LEU 166 Ca 0.25 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.96 1n3r h LEU 166 Cb 0.01 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.84 1n3r h LEU 166 CO -0.10 0.00 -0.43 0.61 0.09 0.00 0.00 178.44 178.61 1n3r n GLY 167 N 0.86 -0.05 3.35 0.83 0.00 0.68 -4.72 105.19 106.14 1n3r n GLY 167 Ca 0.04 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.13 0.04 -1.39 2.61 2.01 -0.84 -4.87 115.64 110.07 1n3r s THR 168 Ca 0.33 -0.30 0.23 0.00 0.31 0.00 0.00 61.69 62.26 1n3r s THR 168 Cb -0.14 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1n3r s THR 168 CO 0.40 -0.17 1.20 0.59 -0.69 0.00 0.00 174.62 175.95 1n3r n ASN 169 N 1.08 1.13 -3.88 3.53 3.02 -1.26 -4.29 115.26 114.59 1n3r n ASN 169 Ca -0.20 -0.92 -0.42 0.00 -0.03 0.00 0.00 54.58 53.00 1n3r n ASN 169 Cb 0.57 0.53 0.00 0.00 -0.61 0.00 0.00 39.78 40.27 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 -0.98 4.11 -3.96 6.41 3.02 -1.26 -1.11 115.26 121.49 1n3r n ASN 170 Ca 0.07 -2.87 -0.12 0.00 -0.03 0.00 0.00 54.58 51.63 1n3r n ASN 170 Cb 0.37 -1.67 -0.13 0.00 -0.61 0.00 0.00 39.78 37.75 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 3.23 0.23 0.01 2.41 1.01 -1.25 -1.25 120.40 124.79 1n3r s VAL 171 Ca 0.48 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1n3r s VAL 171 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 1n3r s VAL 171 CO -0.06 -0.20 -0.12 0.00 0.00 0.00 0.00 175.10 174.73 1n3r s ALA 172 N -0.74 0.97 -0.04 5.51 0.00 -0.12 -1.91 121.76 125.43 1n3r s ALA 172 Ca -0.06 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.31 1n3r s ALA 172 Cb -0.05 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.89 1n3r s ALA 172 CO -0.00 0.21 0.01 0.08 0.00 0.00 0.00 175.76 176.06 1n3r s VAL 173 N -0.47 0.18 -0.03 0.00 1.01 -0.38 -1.86 120.40 118.85 1n3r s VAL 173 Ca 0.03 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1n3r s VAL 173 Cb -0.05 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.01 1n3r s VAL 173 CO 0.00 0.18 -0.09 -0.55 0.00 0.00 0.00 175.10 174.64 1n3r s SER 174 N 1.43 1.23 -0.05 3.32 0.15 0.09 0.80 113.70 120.66 1n3r s SER 174 Ca -0.04 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.46 1n3r s SER 174 Cb -0.13 -0.41 -0.00 0.00 -1.71 0.00 0.00 66.02 63.77 1n3r s SER 174 CO -0.03 0.04 -0.19 -0.63 1.20 0.00 0.00 173.24 173.64 1n3r s ILE 175 N 0.37 1.58 -0.16 6.45 1.01 0.54 0.91 121.20 131.90 1n3r s ILE 175 Ca -0.06 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1n3r s ILE 175 Cb -0.10 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 41.02 1n3r s ILE 175 CO 0.01 0.45 -0.21 -0.62 0.00 0.00 0.00 174.94 174.57 1n3r s ASP 176 N 0.08 3.09 0.07 3.58 2.15 0.13 -1.22 116.67 124.55 1n3r s ASP 176 Ca -0.06 -0.62 -0.08 0.00 0.43 0.00 0.00 52.55 52.21 1n3r s ASP 176 Cb -0.13 -1.45 -0.00 0.00 -0.30 0.00 0.00 42.92 41.04 1n3r s ASP 176 CO 0.03 0.03 0.18 0.00 -0.17 0.00 0.00 175.17 175.24 1n3r s ALA 177 N 1.08 -0.23 -0.20 3.66 0.00 -0.34 0.63 121.76 126.37 1n3r s ALA 177 Ca -0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 51.96 51.37 1n3r s ALA 177 Cb -0.14 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1n3r s ALA 177 CO -0.08 -0.44 0.02 0.08 0.00 0.00 0.00 175.76 175.34 1n3r s VAL 178 N -3.34 4.21 -0.27 0.00 1.01 0.15 -1.27 120.40 120.88 1n3r s VAL 178 Ca 0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 1n3r s VAL 178 Cb 0.03 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1n3r s VAL 178 CO -0.08 0.42 0.18 -1.00 0.00 0.00 0.00 175.10 174.62 1n3r s HIS 179 N 0.92 3.21 -1.20 5.22 3.76 -1.26 -1.64 115.29 124.30 1n3r s HIS 179 Ca 0.02 0.08 0.24 0.00 -0.15 0.00 0.00 55.06 55.25 1n3r s HIS 179 Cb -0.14 -2.36 1.13 0.00 1.11 0.00 0.00 32.58 32.32 1n3r s HIS 179 CO 0.02 -0.16 1.80 0.66 -0.85 0.00 0.00 174.74 176.21 1n3r n TYR 180 N 4.99 0.00 1.30 1.40 4.02 -0.71 -1.45 117.16 126.71 1n3r n TYR 180 Ca -0.14 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.89 1n3r n TYR 180 Cb 0.52 -0.40 0.70 0.00 -0.02 0.00 0.00 39.34 40.14 1n3r n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3r n VAL 182 N -1.32 0.63 -0.09 0.00 0.31 -0.53 -4.58 118.33 112.76 1n3r n VAL 182 Ca 0.13 -0.35 -0.20 0.00 -0.01 0.00 0.00 64.34 63.90 1n3r n VAL 182 Cb 0.24 -0.80 -0.12 0.00 -0.91 0.00 0.00 33.84 32.25 1n3r n VAL 182 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1n3r n LYS 183 N -2.46 0.68 0.19 5.55 4.81 -0.72 -1.02 118.16 125.19 1n3r n LYS 183 Ca -0.16 0.20 0.08 0.00 -0.87 0.00 0.00 58.31 57.56 1n3r n LYS 183 Cb 0.78 -1.58 0.21 0.00 0.02 0.00 0.00 35.03 34.46 1n3r n LYS 183 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n3r h ALA 184 N -0.04 0.87 -2.91 3.14 0.00 -0.84 -3.39 119.26 116.08 1n3r h ALA 184 Ca -0.53 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.20 1n3r h ALA 184 Cb 1.91 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 1n3r h ALA 184 CO -0.06 0.32 0.29 -0.98 0.00 0.00 0.00 179.25 178.83 1n3r s ARG 185 N -3.24 1.86 7.26 0.00 3.03 -1.23 -4.97 118.95 121.65 1n3r s ARG 185 Ca 0.04 -1.10 0.00 0.00 2.03 0.00 0.00 55.73 56.70 1n3r s ARG 185 Cb 0.08 0.58 0.00 0.00 -1.03 0.00 0.00 34.95 34.58 1n3r s ARG 185 CO 0.68 -0.86 0.00 0.41 -1.13 0.00 0.00 175.30 174.40 1n3r n GLY 186 N -0.50 1.87 0.22 3.88 0.00 -1.26 -3.17 105.19 106.24 1n3r n GLY 186 Ca -0.06 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.48 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 1.08 -5.62 -0.61 6.09 -1.87 -3.47 117.51 113.11 1n3r h ILE 187 Ca 0.00 -0.77 -0.31 0.00 -1.37 0.00 0.00 64.86 62.41 1n3r h ILE 187 Cb 0.00 1.42 0.17 0.00 0.47 0.00 0.00 36.82 38.88 1n3r h ILE 187 CO 0.00 0.21 -0.80 0.54 -3.07 0.00 0.00 178.15 175.04 1n3r n ARG 188 N -4.17 -5.41 -2.82 2.19 1.74 -0.91 -4.94 116.66 102.34 1n3r n ARG 188 Ca -0.02 0.84 -0.43 0.00 -0.77 0.00 0.00 57.85 57.47 1n3r n ARG 188 Cb 0.28 -5.83 -0.04 0.00 -1.02 0.00 0.00 32.46 25.86 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 -4.10 6.49 0.38 0.55 -1.08 -0.19 -4.90 116.67 113.82 1n3r s ASP 189 Ca 0.12 0.09 0.21 0.00 -0.52 0.00 0.00 52.55 52.45 1n3r s ASP 189 Cb -0.02 -2.45 0.50 0.00 -1.46 0.00 0.00 42.92 39.50 1n3r s ASP 189 CO 0.74 -1.07 1.65 0.00 0.52 0.00 0.00 175.17 177.00 1n3r h ALA 190 N 9.10 0.88 0.00 3.66 0.00 -1.86 -3.35 119.26 127.69 1n3r h ALA 190 Ca -0.24 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 1n3r h ALA 190 Cb 1.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1n3r h ALA 190 CO 1.03 0.37 -2.07 0.25 0.00 0.00 0.00 179.25 178.83 1n3r n THR 191 N -3.27 0.57 -1.04 0.00 -2.24 -1.26 -5.04 114.28 102.01 1n3r n THR 191 Ca 0.01 -0.61 -0.31 0.00 -2.27 0.00 0.00 64.05 60.88 1n3r n THR 191 Cb 0.56 -0.21 0.12 0.00 -2.10 0.00 0.00 70.33 68.71 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 -4.74 3.75 -0.07 3.42 1.04 -1.26 -5.07 113.70 110.76 1n3r s SER 192 Ca -0.08 2.06 -0.17 0.00 0.48 0.00 0.00 55.95 58.23 1n3r s SER 192 Cb 0.09 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.70 1n3r s SER 192 CO 0.80 -2.55 0.41 0.00 0.98 0.00 0.00 173.24 172.89 1n3r s ALA 193 N -2.66 -1.05 -0.08 5.32 0.00 -1.26 -4.79 121.76 117.24 1n3r s ALA 193 Ca 0.65 0.81 0.01 0.00 0.00 0.00 0.00 51.96 53.43 1n3r s ALA 193 Cb -0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1n3r s ALA 193 CO 0.55 -0.26 -0.09 0.99 0.00 0.00 0.00 175.76 176.96 1n3r s THR 194 N -0.74 3.54 -0.12 0.00 2.01 -0.40 -4.95 115.64 114.98 1n3r s THR 194 Ca -0.08 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1n3r s THR 194 Cb -0.04 -2.45 0.01 0.00 0.01 0.00 0.00 72.50 70.04 1n3r s THR 194 CO 0.04 0.58 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.47 1n3r s THR 195 N -0.60 1.81 0.01 -0.82 2.01 -1.26 -1.19 115.64 115.60 1n3r s THR 195 Ca 0.09 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.31 1n3r s THR 195 Cb -0.12 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 1n3r s THR 195 CO 0.02 0.50 -0.17 0.42 -0.69 0.00 0.00 174.62 174.70 1n3r s THR 196 N 0.82 1.35 0.01 -0.82 -4.23 -0.36 -5.00 115.64 107.41 1n3r s THR 196 Ca -0.09 -0.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 1n3r s THR 196 Cb -0.16 -1.16 -0.01 0.00 1.34 0.00 0.00 72.50 72.51 1n3r s THR 196 CO -0.00 0.24 -0.04 0.42 -0.54 0.00 0.00 174.62 174.70 1n3r s THR 197 N -0.61 0.25 -0.25 3.99 -4.23 -1.26 -0.34 115.64 113.20 1n3r s THR 197 Ca 0.05 -0.50 -0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1n3r s THR 197 Cb -0.07 -0.28 0.07 0.00 1.34 0.00 0.00 72.50 73.55 1n3r s THR 197 CO 0.00 -0.17 0.01 -0.44 -0.54 0.00 0.00 174.62 173.49 1n3r s SER 198 N -0.71 3.70 -0.12 3.99 0.01 0.24 -4.98 113.70 115.83 1n3r s SER 198 Ca -0.05 -1.25 -0.08 0.00 1.31 0.00 0.00 55.95 55.88 1n3r s SER 198 Cb -0.05 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.16 1n3r s SER 198 CO -0.00 -0.30 0.15 -0.76 0.41 0.00 0.00 173.24 172.74 1n3r s LEU 199 N 1.54 4.38 0.13 2.44 1.43 -1.26 -1.25 118.68 126.09 1n3r s LEU 199 Ca 0.00 0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 1n3r s LEU 199 Cb -0.18 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 1n3r s LEU 199 CO -0.11 0.39 -0.03 -0.83 0.23 0.00 0.00 176.35 176.00 1n3r s GLY 200 N -0.94 0.97 0.00 -3.19 0.00 -0.80 -4.65 107.32 98.71 1n3r s GLY 200 Ca 0.15 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1n3r s GLY 200 CO 0.04 -1.49 0.00 0.61 0.00 0.00 0.00 173.10 172.26 1n3r n GLY 201 N -0.13 3.03 0.28 0.20 0.00 -0.27 -1.98 105.19 106.32 1n3r n GLY 201 Ca -0.09 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 0.21 -1.27 0.99 3.38 -1.93 -0.77 115.31 115.92 1n3r h LEU 202 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n3r h LEU 202 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1n3r h LEU 202 CO 0.00 0.16 0.00 -0.26 0.09 0.00 0.00 178.44 178.43 1n3r h PHE 203 N 0.24 0.00 0.00 1.13 0.04 -1.67 -1.75 116.94 114.93 1n3r h PHE 203 Ca 0.07 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 1n3r h PHE 203 Cb -0.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 1n3r h PHE 203 CO 0.00 0.00 -0.85 1.17 -0.60 0.00 0.00 178.31 178.03 1n3r n LYS 204 N -2.33 0.40 0.23 1.51 4.81 -0.39 -4.23 118.16 118.17 1n3r n LYS 204 Ca -0.00 0.16 -0.09 0.00 -0.87 0.00 0.00 58.31 57.50 1n3r n LYS 204 Cb 0.11 -1.20 -0.04 0.00 0.02 0.00 0.00 35.03 33.92 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 -0.75 -0.52 -2.41 3.14 4.64 -1.32 -3.43 113.55 112.90 1n3r h SER 205 Ca -0.04 0.02 -0.57 0.00 -0.47 0.00 0.00 61.79 60.73 1n3r h SER 205 Cb 0.80 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1n3r h SER 205 CO -0.02 -0.26 1.30 -0.55 -0.87 0.00 0.00 176.83 176.42 1n3r s SER 206 N -3.77 5.99 0.42 4.97 0.15 -0.66 -4.85 113.70 115.95 1n3r s SER 206 Ca -0.09 1.87 0.10 0.00 0.70 0.00 0.00 55.95 58.53 1n3r s SER 206 Cb 0.01 -2.52 0.93 0.00 -1.71 0.00 0.00 66.02 62.72 1n3r s SER 206 CO 0.27 -1.53 2.02 -0.61 1.20 0.00 0.00 173.24 174.58 1n3r h GLN 207 N 12.55 0.49 0.24 5.44 5.75 -1.83 -1.02 115.11 136.72 1n3r h GLN 207 Ca -0.39 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.07 1n3r h GLN 207 Cb 1.20 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.64 1n3r h GLN 207 CO 0.98 0.32 -0.12 -0.97 -2.65 0.00 0.00 178.83 176.40 1n3r h ASN 208 N 0.50 -0.28 -0.93 -0.69 -1.24 -1.90 -2.78 115.58 108.27 1n3r h ASN 208 Ca 0.22 0.01 0.13 0.00 0.71 0.00 0.00 56.30 57.36 1n3r h ASN 208 Cb 0.23 0.07 -0.07 0.00 0.73 0.00 0.00 38.32 39.27 1n3r h ASN 208 CO -0.06 -0.20 0.59 0.74 -1.29 0.00 0.00 177.43 177.22 1n3r h THR 209 N -0.33 0.89 0.08 -3.57 2.02 -1.79 -2.09 112.91 108.11 1n3r h THR 209 Ca -0.03 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 66.88 1n3r h THR 209 Cb 0.25 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.61 1n3r h THR 209 CO 0.05 0.15 -0.27 -0.09 0.37 0.00 0.00 175.52 175.74 1n3r h ARG 210 N 0.83 -0.44 -0.08 6.66 2.43 -1.17 -2.27 114.38 120.35 1n3r h ARG 210 Ca 0.46 0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.51 1n3r h ARG 210 Cb 0.58 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1n3r h ARG 210 CO -0.22 -0.29 -0.58 0.45 -1.51 0.00 0.00 179.97 177.82 1n3r h HIS 211 N -0.45 0.32 -0.93 2.20 3.86 -1.21 -2.42 115.15 116.53 1n3r h HIS 211 Ca 0.04 -0.12 0.09 0.00 -1.16 0.00 0.00 60.37 59.22 1n3r h HIS 211 Cb 0.50 -0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.84 1n3r h HIS 211 CO -0.26 0.77 0.57 0.93 0.86 0.00 0.00 177.93 180.80 1n3r h GLU 212 N 0.19 0.94 0.00 2.45 5.08 -1.15 -2.27 114.58 119.82 1n3r h GLU 212 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1n3r h GLU 212 Cb 1.08 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1n3r h GLU 212 CO 0.09 0.62 0.00 0.34 -1.00 0.00 0.00 179.01 179.06 1n3r n PHE 213 N -4.63 0.00 0.22 4.33 7.35 -0.87 -3.62 117.46 120.23 1n3r n PHE 213 Ca 0.16 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.90 1n3r n PHE 213 Cb 0.27 -0.22 0.08 0.00 0.35 0.00 0.00 39.48 39.96 1n3r n PHE 213 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1n3r n LEU 214 N -1.15 0.00 -0.06 -2.13 4.77 -0.93 -0.68 117.00 116.82 1n3r n LEU 214 Ca 0.00 0.52 -0.14 0.00 -0.03 0.00 0.00 56.01 56.36 1n3r n LEU 214 Cb 0.00 -0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 40.92 1n3r n LEU 214 CO 0.00 -0.52 0.45 -0.09 -1.33 0.00 0.00 177.39 175.90 1n3r h ARG 215 N 0.00 -0.00 -0.82 3.23 2.43 -1.47 -3.23 114.38 114.52 1n3r h ARG 215 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1n3r h ARG 215 Cb 2.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 1n3r h ARG 215 CO -0.00 0.87 0.00 0.00 -1.51 0.00 0.00 179.97 179.33 1n3r n ALA 216 N -2.55 2.31 -2.81 2.80 0.00 0.15 -4.78 120.51 115.62 1n3r n ALA 216 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.99 1n3r n ALA 216 Cb 0.42 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.06 5.05 -0.02 0.00 1.01 -1.20 -4.76 120.40 119.42 1n3r s VAL 217 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1n3r s VAL 217 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1n3r s VAL 217 CO 0.00 0.54 0.03 -1.14 0.00 0.00 0.00 175.10 174.53 1n3r n ARG 218 N 1.79 -0.10 -4.42 2.72 0.00 -1.26 -5.05 116.66 110.35 1n3r n ARG 218 Ca -0.18 0.57 -0.25 0.00 -0.00 0.00 0.00 57.85 57.99 1n3r n ARG 218 Cb 0.54 -1.68 -0.09 0.00 0.00 0.00 0.00 32.46 31.22 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 -1.39 2.47 -0.11 -0.14 3.76 -1.26 -5.14 115.29 113.48 1n3r s HIS 219 Ca 0.01 -0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 54.49 1n3r s HIS 219 Cb -0.00 -1.35 0.03 0.00 1.11 0.00 0.00 32.58 32.37 1n3r s HIS 219 CO 0.03 0.56 -0.06 -1.58 -0.85 0.00 0.00 174.74 172.84 1n3r s HIS 220 N -2.53 1.39 0.00 1.40 2.46 -1.26 -4.90 115.29 111.86 1n3r s HIS 220 Ca 0.33 -0.69 0.00 0.00 0.47 0.00 0.00 55.06 55.17 1n3r s HIS 220 Cb -0.01 -1.18 0.00 0.00 -0.13 0.00 0.00 32.58 31.26 1n3r s HIS 220 CO 0.18 -0.50 0.00 0.09 -2.47 0.00 0.00 174.74 172.04