#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y6i h SER 2 N 0.00 0.59 0.14 6.12 4.64 -2.04 -1.46 113.55 121.55 1y6i h SER 2 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1y6i h SER 2 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1y6i h SER 2 CO 0.00 0.34 -0.07 0.44 -0.87 0.00 0.00 176.83 176.67 1y6i h ASP 3 N 0.64 -0.16 -0.53 4.97 5.19 -2.05 -0.72 116.42 123.77 1y6i h ASP 3 Ca 0.36 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.70 1y6i h ASP 3 Cb 0.54 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 1y6i h ASP 3 CO -0.14 -0.06 0.22 0.78 -3.12 0.00 0.00 179.24 176.93 1y6i h ASN 4 N -0.26 0.71 -0.25 6.45 2.35 -1.85 -1.13 115.58 121.61 1y6i h ASN 4 Ca -0.02 -0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.61 1y6i h ASN 4 Cb 0.20 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1y6i h ASN 4 CO 0.03 0.67 0.04 -0.07 -1.65 0.00 0.00 177.43 176.45 1y6i h LEU 5 N 0.71 -0.01 -0.36 1.61 3.38 -1.16 0.52 115.31 119.99 1y6i h LEU 5 Ca 0.18 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1y6i h LEU 5 Cb 0.17 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1y6i h LEU 5 CO -0.02 0.03 0.17 0.74 0.09 0.00 0.00 178.44 179.44 1y6i h THR 6 N 0.13 0.96 0.48 0.22 2.02 -0.86 0.50 112.91 116.35 1y6i h THR 6 Ca 0.11 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1y6i h THR 6 Cb 0.12 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1y6i h THR 6 CO -0.16 0.06 -0.23 -0.08 0.37 0.00 0.00 175.52 175.48 1y6i h GLU 7 N 0.34 -0.62 -0.86 6.66 4.22 -0.44 -0.26 114.58 123.63 1y6i h GLU 7 Ca 0.16 0.04 0.12 0.00 0.08 0.00 0.00 59.36 59.76 1y6i h GLU 7 Cb 0.09 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.39 1y6i h GLU 7 CO -0.12 -0.39 0.48 -0.07 -2.18 0.00 0.00 179.01 176.72 1y6i h LEU 8 N -0.67 0.64 -0.65 1.64 3.38 0.28 -0.36 115.31 119.57 1y6i h LEU 8 Ca -0.07 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1y6i h LEU 8 Cb 0.51 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1y6i h LEU 8 CO 0.11 0.32 0.27 -1.28 0.09 0.00 0.00 178.44 177.95 1y6i h SER 9 N 0.74 0.88 -0.19 -0.43 0.87 0.25 -0.23 113.55 115.44 1y6i h SER 9 Ca 0.44 -0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.77 1y6i h SER 9 Cb 0.52 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1y6i h SER 9 CO -0.30 0.81 -0.09 1.56 -0.53 0.00 0.00 176.83 178.27 1y6i h GLN 10 N 0.91 0.55 -0.27 2.24 4.20 0.54 -1.70 115.11 121.57 1y6i h GLN 10 Ca 0.22 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 1y6i h GLN 10 Cb 0.19 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1y6i h GLN 10 CO -0.02 0.64 -0.14 1.96 -0.67 0.00 0.00 178.83 180.60 1y6i h GLN 11 N 0.51 0.57 -0.75 1.46 4.20 -0.75 0.81 115.11 121.16 1y6i h GLN 11 Ca 0.10 -0.26 0.04 0.00 0.06 0.00 0.00 58.65 58.59 1y6i h GLN 11 Cb 0.47 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 1y6i h GLN 11 CO 0.03 0.83 0.46 1.25 -0.67 0.00 0.00 178.83 180.72 1y6i h LEU 12 N 0.31 0.74 0.22 1.46 5.85 -0.78 -0.99 115.31 122.12 1y6i h LEU 12 Ca 0.06 0.01 -0.33 0.00 0.84 0.00 0.00 57.88 58.46 1y6i h LEU 12 Cb 0.66 -0.15 0.04 0.00 0.37 0.00 0.00 40.66 41.58 1y6i h LEU 12 CO 0.04 0.50 -1.41 0.45 -0.34 0.00 0.00 178.44 177.68 1y6i h HIS 13 N 0.88 1.01 0.00 1.25 3.86 -1.11 -3.42 115.15 117.62 1y6i h HIS 13 Ca 0.31 -0.70 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 1y6i h HIS 13 Cb 0.08 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1y6i h HIS 13 CO -0.04 1.54 -0.95 -0.25 0.86 0.00 0.00 177.93 179.09 1y6i n ASP 14 N -3.75 1.59 -4.47 2.45 8.00 0.26 -5.04 116.55 115.59 1y6i n ASP 14 Ca -0.16 -0.37 -0.29 0.00 0.71 0.00 0.00 54.79 54.68 1y6i n ASP 14 Cb 1.07 1.23 0.18 0.00 -0.02 0.00 0.00 41.12 43.58 1y6i n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y6i s ALA 15 N -2.30 1.11 0.57 2.24 0.00 -0.38 -5.00 121.76 117.99 1y6i s ALA 15 Ca 0.00 -0.60 -0.19 0.00 0.00 0.00 0.00 51.96 51.17 1y6i s ALA 15 Cb 0.07 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1y6i s ALA 15 CO 0.40 -2.89 1.16 -1.54 0.00 0.00 0.00 175.76 172.90 1y6i s SER 16 N -3.78 5.48 0.00 0.00 1.04 -1.26 -4.78 113.70 110.40 1y6i s SER 16 Ca 0.67 2.26 0.00 0.00 0.48 0.00 0.00 55.95 59.36 1y6i s SER 16 Cb -0.15 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1y6i s SER 16 CO 0.56 -1.39 0.01 -1.84 0.98 0.00 0.00 173.24 171.57 1y6i n GLU 17 N -1.44 0.02 -0.04 4.02 0.28 -1.26 -0.14 120.64 122.08 1y6i n GLU 17 Ca 0.12 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 57.07 1y6i n GLU 17 Cb 0.50 -1.01 -0.05 0.00 1.43 0.00 0.00 31.44 32.32 1y6i n GLU 17 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1y6i n LYS 18 N 0.42 1.12 0.00 3.44 4.81 -1.26 -4.62 118.16 122.07 1y6i n LYS 18 Ca 0.00 0.03 0.12 0.00 -0.87 0.00 0.00 58.31 57.59 1y6i n LYS 18 Cb 0.01 -1.18 0.13 0.00 0.02 0.00 0.00 35.03 34.01 1y6i n LYS 18 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1y6i n LYS 19 N -2.59 0.39 -0.18 1.64 4.76 0.80 -4.17 118.16 118.80 1y6i n LYS 19 Ca -0.15 -0.28 -0.08 0.00 -2.87 0.00 0.00 58.31 54.94 1y6i n LYS 19 Cb 0.69 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 32.41 1y6i n LYS 19 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1y6i h GLN 20 N 0.67 0.76 -0.94 1.97 4.20 -1.76 -2.92 115.11 117.10 1y6i h GLN 20 Ca 0.00 -0.11 0.05 0.00 0.06 0.00 0.00 58.65 58.65 1y6i h GLN 20 Cb 0.54 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 1y6i h GLN 20 CO 0.00 0.63 0.60 1.25 -0.67 0.00 0.00 178.83 180.65 1y6i h LEU 21 N 0.71 0.98 -0.47 1.46 5.85 -1.87 0.10 115.31 122.07 1y6i h LEU 21 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1y6i h LEU 21 Cb 0.12 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1y6i h LEU 21 CO -0.02 0.65 0.30 0.74 -0.34 0.00 0.00 178.44 179.77 1y6i h THR 22 N 1.13 1.13 -0.44 1.05 2.02 -1.77 -0.44 112.91 115.59 1y6i h THR 22 Ca 0.39 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 67.21 1y6i h THR 22 Cb 0.09 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1y6i h THR 22 CO -0.15 0.12 -0.20 0.00 0.37 0.00 0.00 175.52 175.66 1y6i h ALA 23 N 1.16 0.82 -0.13 6.16 0.00 -1.14 -2.49 119.26 123.63 1y6i h ALA 23 Ca 0.17 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1y6i h ALA 23 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1y6i h ALA 23 CO -0.04 0.65 0.08 0.82 0.00 0.00 0.00 179.25 180.76 1y6i h ILE 24 N 0.76 1.07 -0.68 0.00 2.04 -0.54 0.57 117.51 120.71 1y6i h ILE 24 Ca 0.10 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1y6i h ILE 24 Cb 0.74 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 1y6i h ILE 24 CO 0.06 0.06 0.38 0.00 0.00 0.00 0.00 178.15 178.65 1y6i h ALA 25 N 1.00 0.92 -0.34 1.87 0.00 -1.01 -1.51 119.26 120.19 1y6i h ALA 25 Ca 0.05 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1y6i h ALA 25 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1y6i h ALA 25 CO -0.01 0.06 -0.05 0.00 0.00 0.00 0.00 179.25 179.25 1y6i h ALA 26 N 1.36 0.47 -0.95 0.00 0.00 -1.02 -2.84 119.26 116.27 1y6i h ALA 26 Ca 0.31 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1y6i h ALA 26 Cb 0.20 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1y6i h ALA 26 CO -0.19 0.27 0.60 -0.07 0.00 0.00 0.00 179.25 179.87 1y6i h LEU 27 N 0.43 0.95 -1.58 0.00 3.38 -0.60 -1.67 115.31 116.21 1y6i h LEU 27 Ca 0.09 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1y6i h LEU 27 Cb 0.53 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1y6i h LEU 27 CO 0.03 0.59 0.33 0.00 0.09 0.00 0.00 178.44 179.48 1y6i h ALA 28 N 1.44 1.78 -0.28 1.53 0.00 -1.04 -0.71 119.26 121.98 1y6i h ALA 28 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1y6i h ALA 28 Cb 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1y6i h ALA 28 CO -0.18 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.61 1y6i n GLU 29 N -4.47 1.94 -0.88 0.00 1.02 -0.67 -4.12 120.64 113.46 1y6i n GLU 29 Ca 0.06 -1.43 -0.17 0.00 -0.02 0.00 0.00 57.16 55.59 1y6i n GLU 29 Cb 0.15 -1.40 0.13 0.00 -0.02 0.00 0.00 31.44 30.30 1y6i n GLU 29 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1y6i n MET 30 N 0.65 1.90 0.00 3.49 2.81 -0.27 -5.04 117.12 120.66 1y6i n MET 30 Ca 0.16 -2.15 0.00 0.00 -1.81 0.00 0.00 57.70 53.90 1y6i n MET 30 Cb 0.39 -1.84 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 1y6i n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1y6i n GLY 31 N -0.66 0.99 0.36 3.03 0.00 -1.26 -2.41 105.19 105.25 1y6i n GLY 31 Ca 0.43 -0.70 0.06 0.00 0.00 0.00 0.00 46.02 45.80 1y6i n GLY 31 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1y6i h GLU 32 N 0.00 0.92 -0.56 1.61 4.22 -1.93 -0.66 114.58 118.18 1y6i h GLU 32 Ca 0.00 -0.06 -0.09 0.00 0.08 0.00 0.00 59.36 59.30 1y6i h GLU 32 Cb 0.00 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1y6i h GLU 32 CO 0.00 0.61 0.01 0.78 -2.18 0.00 0.00 179.01 178.24 1y6i h GLY 33 N 0.95 1.06 0.94 1.92 0.00 -1.94 0.36 103.07 106.36 1y6i h GLY 33 Ca 0.41 -0.77 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 1y6i h GLY 33 CO -0.17 0.71 -0.46 -1.33 0.00 0.00 0.00 176.54 175.29 1y6i h GLY 34 N 0.87 0.66 1.87 4.60 0.00 -1.10 -2.73 103.07 107.24 1y6i h GLY 34 Ca 0.16 -0.85 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 1y6i h GLY 34 CO 0.03 0.76 -0.08 1.46 0.00 0.00 0.00 176.54 178.70 1y6i h GLN 35 N 0.26 0.17 -0.22 4.80 4.20 -1.12 -1.61 115.11 121.60 1y6i h GLN 35 Ca -0.01 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 1y6i h GLN 35 Cb 1.08 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 1y6i h GLN 35 CO 0.10 0.26 -0.34 0.78 -0.67 0.00 0.00 178.83 178.96 1y6i h GLY 36 N 0.55 0.51 1.27 3.46 0.00 -0.74 0.36 103.07 108.47 1y6i h GLY 36 Ca 0.04 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.75 1y6i h GLY 36 CO 0.01 0.42 -0.41 -2.22 0.00 0.00 0.00 176.54 174.34 1y6i h ILE 37 N 0.40 1.28 -0.44 2.60 2.04 -1.08 -1.69 117.51 120.62 1y6i h ILE 37 Ca 0.05 -1.59 -0.03 0.00 1.00 0.00 0.00 64.86 64.29 1y6i h ILE 37 Cb 0.79 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 1y6i h ILE 37 CO 0.06 0.52 0.17 -0.07 0.00 0.00 0.00 178.15 178.84 1y6i h LEU 38 N 0.65 0.60 -0.98 1.44 3.38 -0.82 -2.15 115.31 117.44 1y6i h LEU 38 Ca 0.05 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1y6i h LEU 38 Cb 0.98 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1y6i h LEU 38 CO 0.09 0.61 0.33 -0.07 0.09 0.00 0.00 178.44 179.50 1y6i h LEU 39 N 0.56 0.97 -0.75 1.67 3.38 -0.74 -1.98 115.31 118.42 1y6i h LEU 39 Ca 0.15 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1y6i h LEU 39 Cb 0.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1y6i h LEU 39 CO -0.01 0.84 -0.06 -0.78 0.09 0.00 0.00 178.44 178.51 1y6i h ASP 40 N 1.06 0.87 -0.30 -0.43 3.58 -1.15 -2.31 116.42 117.75 1y6i h ASP 40 Ca 0.25 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1y6i h ASP 40 Cb 0.14 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1y6i h ASP 40 CO -0.03 0.97 0.16 0.22 -2.88 0.00 0.00 179.24 177.68 1y6i h TYR 41 N 0.81 0.41 -0.19 0.28 3.20 -1.00 -2.34 116.97 118.14 1y6i h TYR 41 Ca 0.14 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.04 1y6i h TYR 41 Cb 0.57 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 1y6i h TYR 41 CO 0.03 0.34 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.74 1y6i h LEU 42 N 0.36 -0.26 -2.03 2.82 3.38 -1.20 -2.36 115.31 116.02 1y6i h LEU 42 Ca 0.10 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.25 1y6i h LEU 42 Cb 0.06 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1y6i h LEU 42 CO -0.02 -0.10 0.27 0.00 0.09 0.00 0.00 178.44 178.68 1y6i h ALA 43 N 1.13 2.28 -0.00 1.53 0.00 -1.12 -0.39 119.26 122.69 1y6i h ALA 43 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1y6i h ALA 43 Cb 0.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1y6i h ALA 43 CO -0.22 -0.46 -0.37 1.63 0.00 0.00 0.00 179.25 179.83 1y6i n LYS 44 N -4.32 0.26 0.00 0.00 5.02 -0.91 -4.20 118.16 114.01 1y6i n LYS 44 Ca 0.06 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1y6i n LYS 44 Cb 0.45 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1y6i n LYS 44 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1y6i n ASN 45 N -1.25 1.30 -4.27 4.39 3.02 -0.23 -5.04 115.26 113.18 1y6i n ASN 45 Ca 0.08 -1.57 -0.28 0.00 -0.03 0.00 0.00 54.58 52.78 1y6i n ASN 45 Cb 0.33 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.35 1y6i n ASN 45 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1y6i s VAL 46 N -0.57 1.82 0.63 2.41 1.01 -0.75 -4.10 120.40 120.85 1y6i s VAL 46 Ca 0.00 -1.14 -0.15 0.00 0.00 0.00 0.00 61.98 60.69 1y6i s VAL 46 Cb 0.00 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1y6i s VAL 46 CO 0.00 0.37 1.08 -2.16 0.00 0.00 0.00 175.10 174.39 1y6i s PRO 47 N -0.91 3.03 -0.01 2.72 0.04 -1.26 -4.91 135.00 133.69 1y6i s PRO 47 Ca 0.09 1.27 -0.26 0.00 0.04 0.00 0.00 61.00 62.14 1y6i s PRO 47 Cb -0.09 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1y6i s PRO 47 CO 0.01 -1.05 0.79 -0.51 0.04 0.00 0.00 177.00 176.28 1y6i s LEU 48 N -4.78 4.38 0.01 -3.56 1.43 -1.15 -4.93 118.68 110.09 1y6i s LEU 48 Ca 0.65 1.40 0.24 0.00 -1.03 0.00 0.00 54.13 55.38 1y6i s LEU 48 Cb -0.18 -3.26 0.31 0.00 0.03 0.00 0.00 46.19 43.09 1y6i s LEU 48 CO 0.41 -0.11 1.27 -0.62 0.23 0.00 0.00 176.35 177.53 1y6i n GLU 49 N 3.48 0.05 -3.72 1.70 -0.58 -1.26 -4.42 120.64 115.89 1y6i n GLU 49 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1y6i n GLU 49 Cb 0.51 -1.52 -0.08 0.00 -0.57 0.00 0.00 31.44 29.78 1y6i n GLU 49 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1y6i s LYS 50 N -3.03 0.78 0.01 3.49 -0.14 -1.26 -5.13 119.74 114.45 1y6i s LYS 50 Ca 0.09 -0.24 -0.30 0.00 -1.36 0.00 0.00 55.97 54.16 1y6i s LYS 50 Cb 0.17 0.35 -0.05 0.00 -1.68 0.00 0.00 37.83 36.61 1y6i s LYS 50 CO 0.74 -0.23 1.37 -2.14 -0.76 0.00 0.00 175.35 174.32 1y6i s PRO 51 N -1.75 4.30 -0.21 -1.68 0.02 -1.26 -4.98 135.00 129.44 1y6i s PRO 51 Ca -0.10 1.93 0.01 0.00 0.02 0.00 0.00 61.00 62.86 1y6i s PRO 51 Cb -0.03 -3.53 0.05 0.00 0.02 0.00 0.00 34.50 31.01 1y6i s PRO 51 CO 0.02 -0.53 -0.08 0.08 -0.33 0.00 0.00 177.00 176.17 1y6i s VAL 52 N 2.17 1.56 0.30 3.83 1.01 -1.26 -5.04 120.40 122.97 1y6i s VAL 52 Ca 0.63 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1y6i s VAL 52 Cb -0.31 -1.72 0.28 0.00 0.00 0.00 0.00 36.38 34.62 1y6i s VAL 52 CO 0.27 0.05 1.93 0.25 0.00 0.00 0.00 175.10 177.59 1y6i h LEU 53 N 7.97 0.90 -1.64 3.92 5.85 -1.96 -1.77 115.31 128.59 1y6i h LEU 53 Ca -0.23 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1y6i h LEU 53 Cb 1.09 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1y6i h LEU 53 CO 0.44 0.60 0.25 0.00 -0.34 0.00 0.00 178.44 179.39 1y6i h ALA 54 N 1.51 1.74 -0.35 1.25 0.00 -1.96 0.32 119.26 121.77 1y6i h ALA 54 Ca 0.37 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 1y6i h ALA 54 Cb 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1y6i h ALA 54 CO -0.13 0.24 -0.41 0.28 0.00 0.00 0.00 179.25 179.23 1y6i h VAL 55 N 0.50 1.28 -0.59 0.00 2.07 -1.74 0.11 116.25 117.88 1y6i h VAL 55 Ca 0.14 -1.59 -0.06 0.00 0.82 0.00 0.00 66.70 66.01 1y6i h VAL 55 Cb -0.05 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1y6i h VAL 55 CO -0.03 0.53 0.12 1.23 0.02 0.00 0.00 177.57 179.44 1y6i h GLY 56 N 0.71 1.04 1.67 2.17 0.00 -1.20 -1.43 103.07 106.02 1y6i h GLY 56 Ca 0.05 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 46.61 1y6i h GLY 56 CO 0.10 0.62 -0.31 3.43 0.00 0.00 0.00 176.54 180.38 1y6i h ASN 57 N 0.87 0.38 0.04 0.19 2.35 -0.61 0.01 115.58 118.81 1y6i h ASN 57 Ca 0.18 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1y6i h ASN 57 Cb 0.38 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1y6i h ASN 57 CO 0.01 0.68 -0.02 0.58 -1.65 0.00 0.00 177.43 177.03 1y6i h VAL 58 N 0.33 1.10 -0.30 2.81 2.07 -0.52 0.60 116.25 122.34 1y6i h VAL 58 Ca 0.04 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1y6i h VAL 58 Cb 0.71 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1y6i h VAL 58 CO 0.05 0.12 0.16 0.22 0.02 0.00 0.00 177.57 178.14 1y6i h TYR 59 N -0.26 0.31 -0.30 1.57 3.20 -1.08 -2.29 116.97 118.12 1y6i h TYR 59 Ca -0.01 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.71 1y6i h TYR 59 Cb 0.23 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1y6i h TYR 59 CO -0.01 0.18 -0.48 0.37 -1.64 0.00 0.00 178.16 176.58 1y6i h GLN 60 N 0.34 0.80 -0.94 1.82 5.75 -0.97 -0.74 115.11 121.17 1y6i h GLN 60 Ca 0.12 -0.46 0.04 0.00 -0.15 0.00 0.00 58.65 58.19 1y6i h GLN 60 Cb 0.02 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.55 1y6i h GLN 60 CO -0.07 1.10 0.61 1.15 -2.65 0.00 0.00 178.83 178.97 1y6i h THR 61 N 0.63 1.16 -0.40 2.39 2.02 -0.81 0.18 112.91 118.08 1y6i h THR 61 Ca 0.03 -0.41 -0.12 0.00 0.77 0.00 0.00 66.41 66.69 1y6i h THR 61 Cb 1.06 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1y6i h THR 61 CO 0.10 0.22 -0.22 -0.07 0.37 0.00 0.00 175.52 175.92 1y6i h LEU 62 N 1.18 0.81 -0.78 2.58 3.38 -1.07 -2.64 115.31 118.77 1y6i h LEU 62 Ca 0.37 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1y6i h LEU 62 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1y6i h LEU 62 CO -0.12 1.00 -0.11 0.03 0.09 0.00 0.00 178.44 179.33 1y6i h ARG 63 N 0.69 0.81 0.00 1.13 2.47 -0.28 -2.90 114.38 116.30 1y6i h ARG 63 Ca 0.10 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1y6i h ARG 63 Cb 0.73 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1y6i h ARG 63 CO 0.06 0.88 0.00 0.09 0.56 0.00 0.00 179.97 181.56 1y6i n ASN 64 N -4.16 0.57 0.30 7.04 3.02 0.56 -1.42 115.26 121.17 1y6i n ASN 64 Ca 0.01 0.67 0.19 0.00 -0.03 0.00 0.00 54.58 55.42 1y6i n ASN 64 Cb 0.37 -0.78 0.89 0.00 -0.61 0.00 0.00 39.78 39.66 1y6i n ASN 64 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1y6i h LEU 65 N 0.00 0.00 -1.82 3.41 3.38 -1.33 -3.47 115.31 115.48 1y6i h LEU 65 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1y6i h LEU 65 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1y6i h LEU 65 CO 0.00 0.00 -0.86 -0.62 0.09 0.00 0.00 178.44 177.05 1y6i n GLU 66 N -3.10 -4.04 -4.02 1.13 1.02 -0.51 -4.97 120.64 106.15 1y6i n GLU 66 Ca -0.01 0.50 -0.35 0.00 -0.02 0.00 0.00 57.16 57.28 1y6i n GLU 66 Cb 0.21 -4.84 -0.13 0.00 -0.02 0.00 0.00 31.44 26.67 1y6i n GLU 66 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1y6i s GLN 67 N -6.31 3.57 0.23 3.49 -1.52 -1.26 -5.01 119.66 112.86 1y6i s GLN 67 Ca 0.03 -0.54 -0.07 0.00 -1.95 0.00 0.00 55.36 52.83 1y6i s GLN 67 Cb -0.01 -3.09 0.40 0.00 -0.22 0.00 0.00 33.01 30.10 1y6i s GLN 67 CO 0.85 -0.04 1.70 1.49 -0.25 0.00 0.00 175.29 179.04 1y6i h GLU 68 N 7.67 0.27 -0.18 2.91 4.22 -1.99 -0.78 114.58 126.71 1y6i h GLU 68 Ca -0.37 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.07 1y6i h GLU 68 Cb 1.18 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1y6i h GLU 68 CO 0.60 0.18 0.06 1.79 -2.18 0.00 0.00 179.01 179.47 1y6i h THR 69 N 0.28 0.96 -0.26 0.32 1.35 -1.99 0.52 112.91 114.10 1y6i h THR 69 Ca 0.38 -0.05 -0.03 0.00 -0.55 0.00 0.00 66.41 66.16 1y6i h THR 69 Cb 0.62 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 1y6i h THR 69 CO -0.47 0.03 0.04 0.40 -0.25 0.00 0.00 175.52 175.27 1y6i h ILE 70 N 0.15 1.23 -0.65 6.82 2.04 -1.86 -1.69 117.51 123.55 1y6i h ILE 70 Ca 0.08 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 1y6i h ILE 70 Cb 0.04 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1y6i h ILE 70 CO -0.08 0.25 0.28 0.74 0.00 0.00 0.00 178.15 179.34 1y6i h THR 71 N 0.24 1.23 -0.69 -0.27 2.02 -0.91 0.17 112.91 114.70 1y6i h THR 71 Ca 0.08 -0.71 -0.07 0.00 0.77 0.00 0.00 66.41 66.48 1y6i h THR 71 Cb 0.34 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1y6i h THR 71 CO 0.01 0.28 0.16 0.74 0.37 0.00 0.00 175.52 177.08 1y6i h THR 72 N 0.91 1.26 -0.34 3.16 2.02 -0.88 0.31 112.91 119.36 1y6i h THR 72 Ca 0.22 -0.97 -0.12 0.00 0.77 0.00 0.00 66.41 66.31 1y6i h THR 72 Cb 0.18 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1y6i h THR 72 CO -0.02 0.37 -0.27 -0.61 0.37 0.00 0.00 175.52 175.37 1y6i h GLN 73 N 1.04 0.68 -0.17 6.66 4.15 -1.00 -1.45 115.11 125.03 1y6i h GLN 73 Ca 0.22 -0.29 -0.15 0.00 0.77 0.00 0.00 58.65 59.20 1y6i h GLN 73 Cb 0.38 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1y6i h GLN 73 CO 0.00 0.88 -0.53 -0.07 -1.93 0.00 0.00 178.83 177.18 1y6i h LEU 74 N 0.59 0.53 -0.63 -2.39 3.38 -0.39 -0.45 115.31 115.94 1y6i h LEU 74 Ca 0.08 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1y6i h LEU 74 Cb 0.76 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1y6i h LEU 74 CO 0.06 0.96 0.03 -0.61 0.09 0.00 0.00 178.44 178.96 1y6i h GLN 75 N 0.37 1.10 -0.20 1.13 5.75 -0.56 0.31 115.11 123.01 1y6i h GLN 75 Ca 0.01 -0.33 -0.06 0.00 -0.15 0.00 0.00 58.65 58.11 1y6i h GLN 75 Cb 1.05 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.48 1y6i h GLN 75 CO 0.10 1.05 -0.12 -0.09 -2.65 0.00 0.00 178.83 177.11 1y6i h ARG 76 N 1.01 0.43 0.00 1.69 2.43 -1.00 -1.88 114.38 117.06 1y6i h ARG 76 Ca 0.18 -0.20 -0.21 0.00 -0.81 0.00 0.00 59.98 58.95 1y6i h ARG 76 Cb 0.53 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1y6i h ARG 76 CO 0.03 0.74 -0.98 -0.91 -1.51 0.00 0.00 179.97 177.33 1y6i h ASN 77 N 0.12 0.00 -2.09 -3.80 2.35 -1.04 -3.38 115.58 107.75 1y6i h ASN 77 Ca 0.04 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.24 1y6i h ASN 77 Cb 0.62 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.59 1y6i h ASN 77 CO 0.03 0.98 -0.96 -1.22 -1.65 0.00 0.00 177.43 174.62 1y6i n TYR 78 N -3.35 1.34 0.20 1.19 4.01 0.11 -4.96 117.16 115.70 1y6i n TYR 78 Ca 0.00 -3.83 0.18 0.00 -0.16 0.00 0.00 57.90 54.09 1y6i n TYR 78 Cb 0.93 -0.44 0.81 0.00 -0.31 0.00 0.00 39.34 40.33 1y6i n TYR 78 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1y6i h PRO 79 N 3.56 0.00 0.00 -0.72 0.13 -1.49 -0.24 132.00 133.24 1y6i h PRO 79 Ca 0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1y6i h PRO 79 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1y6i h PRO 79 CO 0.61 0.00 -0.17 0.25 -0.23 0.00 0.00 178.00 178.45 1y6i n THR 80 N -3.48 1.89 -2.60 1.56 -2.24 -1.26 -5.05 114.28 103.09 1y6i n THR 80 Ca 0.03 -2.45 0.00 0.00 -2.27 0.00 0.00 64.05 59.36 1y6i n THR 80 Cb 0.46 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1y6i n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y6i n GLY 81 N -1.27 -1.80 0.97 3.38 0.00 -0.10 -4.53 105.19 101.83 1y6i n GLY 81 Ca 0.16 -1.60 0.11 0.00 0.00 0.00 0.00 46.02 44.69 1y6i n GLY 81 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1y6i n ILE 82 N 0.00 0.26 -4.12 -0.61 -5.35 -1.26 -4.81 119.36 103.46 1y6i n ILE 82 Ca 0.00 -0.63 -0.21 0.00 -0.27 0.00 0.00 62.75 61.65 1y6i n ILE 82 Cb 0.00 1.21 -0.16 0.00 -1.74 0.00 0.00 39.64 38.94 1y6i n ILE 82 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1y6i s PHE 83 N -1.61 0.78 0.05 4.28 5.36 -1.26 -2.92 117.98 122.66 1y6i s PHE 83 Ca 0.31 -0.23 -0.36 0.00 -0.96 0.00 0.00 56.93 55.69 1y6i s PHE 83 Cb 0.20 -0.71 -0.15 0.00 -0.34 0.00 0.00 43.02 42.02 1y6i s PHE 83 CO 0.28 -0.22 1.53 -2.30 -1.46 0.00 0.00 175.22 173.05 1y6i n PRO 84 N 4.19 1.59 -1.69 10.12 -0.02 -1.26 -4.83 135.00 143.10 1y6i n PRO 84 Ca -0.22 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.49 1y6i n PRO 84 Cb 0.51 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1y6i n PRO 84 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1y6i n LEU 85 N 3.62 7.58 -4.77 2.45 4.77 -1.26 -4.98 117.00 124.42 1y6i n LEU 85 Ca 0.19 -4.48 -0.41 0.00 -0.03 0.00 0.00 56.01 51.29 1y6i n LEU 85 Cb 0.23 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 1y6i n LEU 85 CO 0.66 1.96 0.91 -1.10 -1.33 0.00 0.00 177.39 178.49 1y6i s GLN 86 N -0.60 4.46 0.03 3.23 -0.21 -1.26 -4.69 119.66 120.62 1y6i s GLN 86 Ca 0.59 2.06 0.02 0.00 0.02 0.00 0.00 55.36 58.05 1y6i s GLN 86 Cb 0.24 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 31.12 1y6i s GLN 86 CO -0.11 -0.04 -0.06 0.45 -2.12 0.00 0.00 175.29 173.41 1y6i s SER 87 N -0.62 0.66 0.00 5.90 0.15 -1.26 -4.49 113.70 114.03 1y6i s SER 87 Ca 0.47 -0.42 0.24 0.00 0.70 0.00 0.00 55.95 56.95 1y6i s SER 87 Cb -0.37 0.02 0.35 0.00 -1.71 0.00 0.00 66.02 64.32 1y6i s SER 87 CO 0.48 -0.15 1.36 0.00 1.20 0.00 0.00 173.24 176.13 1y6i n ALA 88 N 1.89 2.46 -2.45 5.45 0.00 -1.26 -4.52 120.51 122.07 1y6i n ALA 88 Ca -0.20 -0.78 0.04 0.00 0.00 0.00 0.00 53.44 52.50 1y6i n ALA 88 Cb 0.56 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 19.17 1y6i n ALA 88 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1y6i n GLN 89 N 1.29 0.07 -2.05 0.00 7.27 -1.26 -5.01 117.38 117.69 1y6i n GLN 89 Ca 0.16 -2.04 -0.13 0.00 0.07 0.00 0.00 57.00 55.06 1y6i n GLN 89 Cb 0.58 -0.08 -0.02 0.00 2.41 0.00 0.00 30.24 33.13 1y6i n GLN 89 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1y6i n GLY 90 N 0.42 0.19 3.78 1.69 0.00 -1.26 -5.00 105.19 105.01 1y6i n GLY 90 Ca 0.06 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 1y6i n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y6i s ILE 91 N -2.60 5.04 -0.40 -0.61 -1.09 -1.26 -5.04 121.20 115.23 1y6i s ILE 91 Ca 0.00 0.98 -0.18 0.00 -2.23 0.00 0.00 60.65 59.21 1y6i s ILE 91 Cb 0.00 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1y6i s ILE 91 CO 0.00 0.46 0.51 -0.62 -1.23 0.00 0.00 174.94 174.06 1y6i s ASP 92 N -0.32 6.26 -0.02 3.58 2.15 -1.26 -4.65 116.67 122.42 1y6i s ASP 92 Ca 0.26 -0.40 0.21 0.00 0.43 0.00 0.00 52.55 53.06 1y6i s ASP 92 Cb -0.17 -2.26 0.64 0.00 -0.30 0.00 0.00 42.92 40.83 1y6i s ASP 92 CO 0.13 -0.59 1.53 -1.22 -0.17 0.00 0.00 175.17 174.85 1y6i n TYR 93 N 5.80 1.02 -0.17 -5.34 4.01 -1.26 -4.58 117.16 116.64 1y6i n TYR 93 Ca -0.05 -0.52 -0.09 0.00 -0.16 0.00 0.00 57.90 57.08 1y6i n TYR 93 Cb 0.48 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 1y6i n TYR 93 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1y6i h LEU 94 N 4.10 0.76 -1.40 7.72 5.85 -1.93 -0.73 115.31 129.68 1y6i h LEU 94 Ca 0.00 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 1y6i h LEU 94 Cb 1.04 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1y6i h LEU 94 CO 0.03 0.83 0.02 -0.65 -0.34 0.00 0.00 178.44 178.33 1y6i h PRO 95 N 0.66 0.41 -0.41 5.25 0.11 -2.00 0.12 132.00 136.14 1y6i h PRO 95 Ca 0.15 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 1y6i h PRO 95 Cb 0.39 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 1y6i h PRO 95 CO 0.01 0.43 0.01 1.25 -0.21 0.00 0.00 178.00 179.49 1y6i h LEU 96 N 0.40 0.71 -0.86 2.35 5.85 -1.75 -1.49 115.31 120.52 1y6i h LEU 96 Ca 0.09 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.44 1y6i h LEU 96 Cb 0.24 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1y6i h LEU 96 CO 0.00 0.83 0.06 -0.61 -0.34 0.00 0.00 178.44 178.38 1y6i h GLN 97 N 0.56 0.91 -0.45 1.25 -0.00 -0.44 -1.46 115.11 115.47 1y6i h GLN 97 Ca 0.12 -0.23 -0.10 0.00 -0.00 0.00 0.00 58.65 58.44 1y6i h GLN 97 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.81 1y6i h GLN 97 CO 0.02 0.87 -0.11 0.93 0.00 0.00 0.00 178.83 180.53 1y6i h GLU 98 N 0.85 0.82 -0.45 1.69 5.08 -0.48 0.11 114.58 122.20 1y6i h GLU 98 Ca 0.17 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1y6i h GLU 98 Cb 0.42 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1y6i h GLU 98 CO 0.01 0.90 -0.07 0.00 -1.00 0.00 0.00 179.01 178.85 1y6i h ALA 99 N 1.13 0.61 -0.55 3.43 0.00 -1.06 -1.92 119.26 120.91 1y6i h ALA 99 Ca 0.12 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1y6i h ALA 99 Cb 0.61 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1y6i h ALA 99 CO 0.04 0.47 -0.07 -0.07 0.00 0.00 0.00 179.25 179.62 1y6i h LEU 100 N 0.68 0.99 -1.28 0.00 3.38 -0.84 0.16 115.31 118.39 1y6i h LEU 100 Ca 0.12 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1y6i h LEU 100 Cb 0.60 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1y6i h LEU 100 CO 0.04 1.08 -0.06 1.23 0.09 0.00 0.00 178.44 180.82 1y6i h GLY 101 N 0.97 0.45 0.19 0.83 0.00 -0.70 -0.51 103.07 104.30 1y6i h GLY 101 Ca 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1y6i h GLY 101 CO 0.04 0.26 0.00 1.44 0.00 0.00 0.00 176.54 178.28 1y6i n SER 102 N -4.27 0.59 -2.16 0.19 7.64 -0.73 -4.89 113.62 109.98 1y6i n SER 102 Ca 0.01 -1.42 -0.20 0.00 1.01 0.00 0.00 58.87 58.27 1y6i n SER 102 Cb 0.26 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 1y6i n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y6i n GLN 103 N -0.44 -1.66 -3.10 1.43 1.13 -0.20 -4.92 117.38 109.62 1y6i n GLN 103 Ca 0.17 1.03 -0.45 0.00 -1.94 0.00 0.00 57.00 55.81 1y6i n GLN 103 Cb 0.17 -5.61 -0.01 0.00 0.11 0.00 0.00 30.24 24.91 1y6i n GLN 103 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1y6i s ASP 104 N -2.24 6.98 0.40 1.08 -1.08 -0.03 -4.82 116.67 116.97 1y6i s ASP 104 Ca 0.00 -2.87 0.19 0.00 -0.52 0.00 0.00 52.55 49.35 1y6i s ASP 104 Cb 0.00 -2.32 0.83 0.00 -1.46 0.00 0.00 42.92 39.97 1y6i s ASP 104 CO 0.00 -0.68 1.81 -0.26 0.52 0.00 0.00 175.17 176.57 1y6i h PHE 105 N 7.53 0.00 -0.15 -5.34 0.04 -1.81 -0.41 116.94 116.80 1y6i h PHE 105 Ca 0.21 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 1y6i h PHE 105 Cb 0.94 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 1y6i h PHE 105 CO 1.02 0.33 0.02 1.49 -0.60 0.00 0.00 178.31 180.57 1y6i h GLU 106 N 0.00 0.24 -0.41 1.51 4.81 -1.88 0.30 114.58 119.16 1y6i h GLU 106 Ca -0.00 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1y6i h GLU 106 Cb 0.75 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1y6i h GLU 106 CO 0.04 0.43 -0.04 1.15 -0.73 0.00 0.00 179.01 179.86 1y6i h THR 107 N 0.02 1.27 -0.99 0.32 2.02 -1.92 -1.38 112.91 112.26 1y6i h THR 107 Ca 0.04 -1.09 0.06 0.00 0.77 0.00 0.00 66.41 66.20 1y6i h THR 107 Cb 0.30 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.80 1y6i h THR 107 CO 0.00 0.37 0.64 0.00 0.37 0.00 0.00 175.52 176.90 1y6i h ALA 108 N 0.87 1.41 -0.26 6.16 0.00 -0.92 0.87 119.26 127.38 1y6i h ALA 108 Ca 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1y6i h ALA 108 Cb 0.54 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1y6i h ALA 108 CO 0.03 0.46 0.06 0.22 0.00 0.00 0.00 179.25 180.02 1y6i h ASP 109 N 1.18 0.40 -0.21 0.00 3.58 -0.03 0.95 116.42 122.29 1y6i h ASP 109 Ca 0.42 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1y6i h ASP 109 Cb 0.13 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1y6i h ASP 109 CO -0.16 0.53 0.13 -0.33 -2.88 0.00 0.00 179.24 176.54 1y6i h GLU 110 N 0.25 0.28 -0.90 0.28 5.08 -0.71 -1.31 114.58 117.55 1y6i h GLU 110 Ca 0.08 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1y6i h GLU 110 Cb 0.29 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1y6i h GLU 110 CO 0.00 0.21 0.58 0.82 -1.00 0.00 0.00 179.01 179.62 1y6i h ILE 111 N 0.26 1.15 -0.42 3.13 2.04 -0.75 -0.94 117.51 121.98 1y6i h ILE 111 Ca 0.08 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1y6i h ILE 111 Cb -0.00 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 35.97 1y6i h ILE 111 CO -0.02 0.21 0.18 0.74 0.00 0.00 0.00 178.15 179.26 1y6i h THR 112 N 1.13 1.19 -0.62 -0.27 2.02 -0.34 0.10 112.91 116.13 1y6i h THR 112 Ca 0.36 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.98 1y6i h THR 112 Cb 0.01 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1y6i h THR 112 CO -0.12 0.21 0.39 -0.09 0.37 0.00 0.00 175.52 176.29 1y6i h ARG 113 N 0.54 0.76 -0.69 6.66 2.43 -0.96 -1.53 114.38 121.59 1y6i h ARG 113 Ca 0.14 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1y6i h ARG 113 Cb 0.17 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1y6i h ARG 113 CO -0.01 0.51 0.45 0.22 -1.51 0.00 0.00 179.97 179.63 1y6i h ASP 114 N 0.79 0.79 -0.66 -3.80 1.82 -0.59 -1.50 116.42 113.28 1y6i h ASP 114 Ca 0.24 -0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.79 1y6i h ASP 114 Cb -0.03 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 39.76 1y6i h ASP 114 CO -0.08 0.58 0.15 0.11 -1.61 0.00 0.00 179.24 178.38 1y6i h LYS 115 N 0.93 1.06 -0.73 0.28 1.79 -0.49 0.64 116.57 120.05 1y6i h LYS 115 Ca 0.25 -0.26 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1y6i h LYS 115 Cb -0.10 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.38 1y6i h LYS 115 CO -0.05 0.96 0.40 -0.07 -1.08 0.00 0.00 179.45 179.60 1y6i h LEU 116 N 0.98 0.92 -0.80 2.94 3.38 -1.04 0.16 115.31 121.85 1y6i h LEU 116 Ca 0.20 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1y6i h LEU 116 Cb 0.38 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1y6i h LEU 116 CO 0.00 0.75 0.43 0.00 0.09 0.00 0.00 178.44 179.72 1y6i h GLU 118 N 1.12 0.75 -0.85 0.00 4.81 -0.11 -1.97 114.58 118.32 1y6i h GLU 118 Ca 0.28 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1y6i h GLU 118 Cb 0.05 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 1y6i h GLU 118 CO -0.04 0.57 0.53 -0.07 -0.73 0.00 0.00 179.01 179.26 1y6i h LEU 119 N 0.73 1.02 -2.34 1.64 3.38 -0.26 -2.18 115.31 117.30 1y6i h LEU 119 Ca 0.19 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1y6i h LEU 119 Cb 0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1y6i h LEU 119 CO -0.03 0.77 -0.04 0.00 0.09 0.00 0.00 178.44 179.23 1y6i h ALA 120 N 1.29 1.33 0.00 1.53 0.00 -0.32 -3.48 119.26 119.61 1y6i h ALA 120 Ca 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1y6i h ALA 120 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1y6i h ALA 120 CO -0.06 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1y6i n GLY 121 N -1.01 1.03 3.69 0.00 0.00 -0.81 -4.93 105.19 103.16 1y6i n GLY 121 Ca -0.02 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1y6i n GLY 121 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1y6i s PRO 122 N 0.00 4.17 -0.64 1.61 0.02 -1.26 -3.33 135.00 135.57 1y6i s PRO 122 Ca 0.00 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1y6i s PRO 122 Cb 0.00 -3.61 0.00 0.00 0.02 0.00 0.00 34.50 30.91 1y6i s PRO 122 CO 0.00 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.29 1y6i n GLY 123 N 4.11 0.56 0.00 0.52 0.00 -1.26 -4.85 105.19 104.28 1y6i n GLY 123 Ca 0.17 -0.70 0.01 0.00 0.00 0.00 0.00 46.02 45.50 1y6i n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y6i n ALA 124 N 0.12 2.24 -1.79 4.61 0.00 -1.21 -4.94 120.51 119.54 1y6i n ALA 124 Ca -0.07 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 1y6i n ALA 124 Cb 0.36 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 1y6i n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1y6i s SER 125 N -1.23 6.45 0.00 0.00 1.04 -1.26 -1.35 113.70 117.35 1y6i s SER 125 Ca 0.01 2.79 0.00 0.00 0.48 0.00 0.00 55.95 59.22 1y6i s SER 125 Cb 0.01 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1y6i s SER 125 CO 0.08 -0.93 0.00 0.00 0.98 0.00 0.00 173.24 173.37 1y6i n GLN 126 N 4.02 -0.06 -2.45 4.02 3.00 -1.26 -5.00 117.38 119.65 1y6i n GLN 126 Ca 0.15 0.02 -0.38 0.00 -0.01 0.00 0.00 57.00 56.78 1y6i n GLN 126 Cb 0.36 -3.15 -0.03 0.00 0.00 0.00 0.00 30.24 27.42 1y6i n GLN 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1y6i s ARG 127 N -0.33 4.19 -0.08 -1.09 3.52 -0.45 -4.93 118.95 119.78 1y6i s ARG 127 Ca 0.00 1.66 0.12 0.00 -0.13 0.00 0.00 55.73 57.38 1y6i s ARG 127 Cb 0.00 -2.68 0.49 0.00 -1.56 0.00 0.00 34.95 31.20 1y6i s ARG 127 CO 0.00 -0.15 1.35 1.04 -0.81 0.00 0.00 175.30 176.73 1y6i n GLN 128 N 0.16 2.90 -3.48 5.12 1.13 -1.26 -4.89 117.38 117.05 1y6i n GLN 128 Ca 0.04 -1.95 -0.14 0.00 -1.94 0.00 0.00 57.00 53.01 1y6i n GLN 128 Cb 0.48 -1.71 -0.04 0.00 0.11 0.00 0.00 30.24 29.08 1y6i n GLN 128 CO 0.00 0.00 0.00 1.67 -1.44 0.00 0.00 177.06 177.29 1y6i s TRP 129 N -1.77 -0.54 0.43 1.08 -2.14 -1.26 -4.79 118.94 109.95 1y6i s TRP 129 Ca 0.35 0.57 0.08 0.00 2.66 0.00 0.00 56.10 59.76 1y6i s TRP 129 Cb 0.23 0.47 -0.01 0.00 -3.10 0.00 0.00 33.47 31.05 1y6i s TRP 129 CO 0.16 -0.74 0.39 -0.51 -2.66 0.00 0.00 176.95 173.59 1y6i s LEU 130 N -2.16 3.34 -0.05 -4.66 1.43 -1.26 -5.05 118.68 110.28 1y6i s LEU 130 Ca -0.04 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.30 1y6i s LEU 130 Cb -0.01 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1y6i s LEU 130 CO -0.04 -0.70 -0.07 -0.31 0.23 0.00 0.00 176.35 175.46 1y6i s TYR 131 N -2.50 2.93 0.42 0.29 2.02 -1.26 -4.93 117.35 114.32 1y6i s TYR 131 Ca 0.48 0.01 0.16 0.00 -0.37 0.00 0.00 57.07 57.34 1y6i s TYR 131 Cb -0.03 -1.68 1.04 0.00 -0.40 0.00 0.00 41.96 40.89 1y6i s TYR 131 CO 0.28 0.35 1.90 0.27 -1.57 0.00 0.00 175.55 176.78 1y6i h PHE 132 N 5.01 0.52 0.00 2.71 -0.00 -1.93 0.67 116.94 123.92 1y6i h PHE 132 Ca -0.49 0.02 -0.03 0.00 -0.00 0.00 0.00 57.97 57.47 1y6i h PHE 132 Cb 1.17 -0.16 -0.00 0.00 -0.00 0.00 0.00 35.95 36.95 1y6i h PHE 132 CO 0.57 0.18 -0.13 1.79 -0.00 0.00 0.00 178.31 180.72 1y6i h THR 133 N 0.43 0.62 -0.06 0.88 1.35 -1.95 -1.61 112.91 112.57 1y6i h THR 133 Ca 0.40 -0.58 -0.19 0.00 -0.55 0.00 0.00 66.41 65.48 1y6i h THR 133 Cb 0.91 1.37 0.01 0.00 -1.73 0.00 0.00 68.15 68.71 1y6i h THR 133 CO -0.14 0.13 -0.72 -0.33 -0.25 0.00 0.00 175.52 174.22 1y6i h GLU 134 N 0.00 0.59 -0.67 4.72 5.08 -1.27 -3.27 114.58 119.77 1y6i h GLU 134 Ca -0.00 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 57.78 1y6i h GLU 134 Cb 0.36 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1y6i h GLU 134 CO 0.02 1.18 0.35 0.28 -1.00 0.00 0.00 179.01 179.83 1y6i h VAL 135 N 0.21 1.22 0.00 3.13 2.07 -1.20 -1.95 116.25 119.72 1y6i h VAL 135 Ca -0.07 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1y6i h VAL 135 Cb 1.38 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1y6i h VAL 135 CO 0.14 0.24 -0.01 -0.33 0.02 0.00 0.00 177.57 177.64 1y6i h GLU 136 N 0.92 0.00 -0.02 1.57 5.08 -1.40 -2.53 114.58 118.20 1y6i h GLU 136 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1y6i h GLU 136 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1y6i h GLU 136 CO -0.03 0.01 -0.23 1.63 -1.00 0.00 0.00 179.01 179.38 1y6i n LYS 137 N -3.29 1.75 -1.67 2.33 5.02 -0.75 -5.00 118.16 116.56 1y6i n LYS 137 Ca -0.03 -1.44 -0.40 0.00 -2.02 0.00 0.00 58.31 54.42 1y6i n LYS 137 Cb 0.10 -1.45 0.03 0.00 -0.02 0.00 0.00 35.03 33.69 1y6i n LYS 137 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1y6i n PHE 138 N 0.65 1.64 -2.73 2.13 3.72 -0.96 -4.95 117.46 116.96 1y6i n PHE 138 Ca 0.11 0.48 -0.36 0.00 -0.05 0.00 0.00 57.45 57.64 1y6i n PHE 138 Cb 0.52 -2.28 -0.06 0.00 -0.94 0.00 0.00 39.48 36.72 1y6i n PHE 138 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1y6i s PRO 139 N -2.44 4.40 0.26 -1.08 0.04 -1.26 -4.94 135.00 129.98 1y6i s PRO 139 Ca 0.67 1.32 -0.04 0.00 0.04 0.00 0.00 61.00 63.00 1y6i s PRO 139 Cb -0.48 -2.59 0.32 0.00 0.04 0.00 0.00 34.50 31.79 1y6i s PRO 139 CO 0.53 0.11 1.84 0.00 0.04 0.00 0.00 177.00 179.52 1y6i h ALA 140 N 2.71 1.20 -0.54 8.56 0.00 -2.00 -3.04 119.26 126.15 1y6i h ALA 140 Ca -0.48 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.32 1y6i h ALA 140 Cb 1.19 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1y6i h ALA 140 CO 0.63 0.59 0.28 1.25 0.00 0.00 0.00 179.25 182.01 1y6i h LEU 141 N 1.02 0.41 -0.86 0.00 5.85 -1.95 0.91 115.31 120.70 1y6i h LEU 141 Ca 0.24 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 1y6i h LEU 141 Cb 0.16 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1y6i h LEU 141 CO -0.03 0.28 0.24 0.44 -0.34 0.00 0.00 178.44 179.03 1y6i h ASP 142 N 0.54 1.00 -0.03 1.25 5.19 -1.76 -0.47 116.42 122.14 1y6i h ASP 142 Ca 0.24 -0.17 -0.15 0.00 -0.62 0.00 0.00 57.03 56.33 1y6i h ASP 142 Cb 0.14 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 1y6i h ASP 142 CO -0.16 0.92 -0.49 -0.07 -3.12 0.00 0.00 179.24 176.33 1y6i h LEU 143 N 1.04 0.64 -0.44 1.55 3.38 -1.34 -1.07 115.31 119.08 1y6i h LEU 143 Ca 0.23 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1y6i h LEU 143 Cb 0.27 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1y6i h LEU 143 CO -0.01 1.02 0.23 -0.74 0.09 0.00 0.00 178.44 179.03 1y6i h HIS 144 N 0.47 0.62 -0.35 1.13 2.76 -0.45 -0.51 115.15 118.81 1y6i h HIS 144 Ca 0.02 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1y6i h HIS 144 Cb 1.02 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.77 1y6i h HIS 144 CO 0.04 0.49 0.14 1.15 -1.30 0.00 0.00 177.93 178.45 1y6i h THR 145 N 0.57 1.19 0.06 6.26 2.02 -0.73 0.15 112.91 122.43 1y6i h THR 145 Ca 0.15 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.75 1y6i h THR 145 Cb 0.09 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1y6i h THR 145 CO -0.02 0.21 -0.08 0.40 0.37 0.00 0.00 175.52 176.40 1y6i h ILE 146 N 0.43 0.81 -0.42 3.11 2.04 -1.12 -1.51 117.51 120.84 1y6i h ILE 146 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1y6i h ILE 146 Cb 0.19 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1y6i h ILE 146 CO -0.01 0.00 0.21 -1.13 0.00 0.00 0.00 178.15 177.22 1y6i h ASN 147 N -0.17 0.55 -0.82 1.72 -1.24 -1.01 -2.49 115.58 112.12 1y6i h ASN 147 Ca 0.01 -0.12 0.04 0.00 0.71 0.00 0.00 56.30 56.94 1y6i h ASN 147 Cb 0.18 -0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.03 1y6i h ASN 147 CO -0.04 0.52 0.52 0.00 -1.29 0.00 0.00 177.43 177.14 1y6i h ALA 148 N 1.05 1.09 -0.10 1.57 0.00 -0.45 -0.32 119.26 122.11 1y6i h ALA 148 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1y6i h ALA 148 Cb 0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1y6i h ALA 148 CO -0.02 0.31 0.05 -0.07 0.00 0.00 0.00 179.25 179.52 1y6i h LEU 149 N 0.99 0.13 -0.88 0.00 3.38 -1.03 0.16 115.31 118.05 1y6i h LEU 149 Ca 0.34 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1y6i h LEU 149 Cb 0.06 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1y6i h LEU 149 CO -0.13 0.20 0.55 -0.50 0.09 0.00 0.00 178.44 178.65 1y6i h TRP 150 N 0.06 1.02 -0.05 1.13 4.06 -1.00 -2.10 115.95 119.07 1y6i h TRP 150 Ca 0.04 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.97 1y6i h TRP 150 Cb 0.10 -0.33 0.00 0.00 -1.00 0.00 0.00 29.16 27.93 1y6i h TRP 150 CO -0.04 0.52 -0.13 2.35 -3.56 0.00 0.00 178.44 177.58 1y6i h TRP 151 N 1.01 0.24 0.00 0.49 7.01 -0.81 -2.87 115.95 121.01 1y6i h TRP 151 Ca 0.39 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 61.25 1y6i h TRP 151 Cb 0.17 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 1y6i h TRP 151 CO -0.03 0.74 -0.19 -0.07 -2.79 0.00 0.00 178.44 176.11 1y6i h LEU 152 N -0.33 0.00 -3.15 0.65 3.38 -0.56 -0.75 115.31 114.55 1y6i h LEU 152 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1y6i h LEU 152 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1y6i h LEU 152 CO 0.03 0.19 0.00 1.41 0.09 0.00 0.00 178.44 180.16 1y6i n HIS 153 N -4.08 1.52 -1.83 1.13 8.25 -0.80 -4.10 115.22 115.32 1y6i n HIS 153 Ca -0.02 -0.61 0.02 0.00 -0.26 0.00 0.00 57.72 56.84 1y6i n HIS 153 Cb 0.26 -0.25 0.03 0.00 1.12 0.00 0.00 29.99 31.15 1y6i n HIS 153 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1y6i n SER 154 N 1.15 0.44 -3.85 0.41 3.41 -1.09 -4.97 113.62 109.12 1y6i n SER 154 Ca 0.26 -2.21 -0.30 0.00 -0.26 0.00 0.00 58.87 56.37 1y6i n SER 154 Cb 0.91 -0.24 0.01 0.00 -0.26 0.00 0.00 64.21 64.62 1y6i n SER 154 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1y6i n ASN 155 N -0.27 -4.37 -0.36 4.04 5.15 -1.20 -1.47 115.26 116.77 1y6i n ASN 155 Ca 0.03 -0.74 -0.05 0.00 -0.60 0.00 0.00 54.58 53.22 1y6i n ASN 155 Cb 0.69 -3.53 -0.02 0.00 -0.53 0.00 0.00 39.78 36.39 1y6i n ASN 155 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1y6i n GLY 156 N -1.52 0.68 0.06 8.20 0.00 -0.31 -4.90 105.19 107.40 1y6i n GLY 156 Ca 0.04 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.91 1y6i n GLY 156 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y6i n ASN 157 N -0.12 0.59 -4.52 1.61 3.02 -0.54 -4.94 115.26 110.37 1y6i n ASN 157 Ca -0.05 0.05 -0.25 0.00 -0.03 0.00 0.00 54.58 54.31 1y6i n ASN 157 Cb 0.29 0.87 -0.10 0.00 -0.61 0.00 0.00 39.78 40.23 1y6i n ASN 157 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1y6i s PHE 158 N -3.32 2.46 0.00 3.10 0.08 -1.26 -0.31 117.98 118.72 1y6i s PHE 158 Ca -0.00 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.76 1y6i s PHE 158 Cb 0.12 -1.14 0.00 0.00 -0.57 0.00 0.00 43.02 41.43 1y6i s PHE 158 CO 0.82 0.60 0.00 0.41 -0.10 0.00 0.00 175.22 176.94 1y6i n GLY 159 N -0.29 4.23 0.26 4.36 0.00 -0.57 -3.36 105.19 109.82 1y6i n GLY 159 Ca -0.09 -1.39 0.07 0.00 0.00 0.00 0.00 46.02 44.61 1y6i n GLY 159 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1y6i h PHE 160 N 0.00 0.08 -0.34 1.61 0.04 -1.90 -2.19 116.94 114.24 1y6i h PHE 160 Ca 0.00 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1y6i h PHE 160 Cb 0.00 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 1y6i h PHE 160 CO 0.00 0.10 0.02 0.66 -0.60 0.00 0.00 178.31 178.49 1y6i h SER 161 N 0.09 0.49 -0.07 2.17 4.64 -1.93 0.41 113.55 119.35 1y6i h SER 161 Ca 0.02 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 1y6i h SER 161 Cb 0.08 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1y6i h SER 161 CO 0.00 0.55 -0.10 0.58 -0.87 0.00 0.00 176.83 176.99 1y6i h VAL 162 N 0.51 1.40 -0.77 0.95 2.07 -1.71 -1.84 116.25 116.85 1y6i h VAL 162 Ca 0.11 -1.34 0.07 0.00 0.82 0.00 0.00 66.70 66.36 1y6i h VAL 162 Cb 0.31 2.14 -0.06 0.00 -1.52 0.00 0.00 31.29 32.15 1y6i h VAL 162 CO 0.01 0.37 0.44 1.56 0.02 0.00 0.00 177.57 179.97 1y6i h GLN 163 N -0.29 0.76 -0.59 1.57 4.20 -1.13 -2.02 115.11 117.61 1y6i h GLN 163 Ca 0.01 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1y6i h GLN 163 Cb 0.65 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1y6i h GLN 163 CO 0.02 0.50 0.22 -0.09 -0.67 0.00 0.00 178.83 178.82 1y6i h ARG 164 N 0.79 0.89 -0.72 1.46 2.43 -0.85 0.13 114.38 118.50 1y6i h ARG 164 Ca 0.36 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1y6i h ARG 164 Cb 0.26 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1y6i h ARG 164 CO -0.21 0.77 0.42 0.00 -1.51 0.00 0.00 179.97 179.45 1y6i h ARG 165 N 0.82 0.99 -0.14 0.20 3.08 -1.01 0.20 114.38 118.52 1y6i h ARG 165 Ca 0.20 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1y6i h ARG 165 Cb 0.22 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1y6i h ARG 165 CO -0.01 0.71 -0.36 -0.07 -1.07 0.00 0.00 179.97 179.17 1y6i h LEU 166 N 0.99 0.30 -0.25 3.04 3.38 -1.01 -0.92 115.31 120.84 1y6i h LEU 166 Ca 0.26 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1y6i h LEU 166 Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1y6i h LEU 166 CO -0.05 0.64 -0.08 -0.25 0.09 0.00 0.00 178.44 178.79 1y6i h TRP 167 N 0.25 0.56 -0.58 1.13 7.01 -0.24 -0.27 115.95 123.81 1y6i h TRP 167 Ca 0.03 -0.13 -0.03 0.00 2.11 0.00 0.00 58.89 60.87 1y6i h TRP 167 Cb 0.75 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.65 1y6i h TRP 167 CO 0.02 0.73 0.25 -0.07 -2.79 0.00 0.00 178.44 176.58 1y6i h LEU 168 N 0.23 0.78 -2.12 0.65 3.38 -0.24 0.57 115.31 118.56 1y6i h LEU 168 Ca 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1y6i h LEU 168 Cb 0.57 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1y6i h LEU 168 CO 0.03 0.73 -0.05 0.00 0.09 0.00 0.00 178.44 179.24 1y6i h ALA 169 N 1.09 1.11 -0.08 1.53 0.00 -0.87 -1.49 119.26 120.54 1y6i h ALA 169 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1y6i h ALA 169 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1y6i h ALA 169 CO -0.02 0.06 0.00 0.43 0.00 0.00 0.00 179.25 179.72 1y6i n SER 170 N -3.30 0.63 -0.92 0.00 7.64 -0.14 -4.87 113.62 112.67 1y6i n SER 170 Ca -0.01 -1.69 -0.10 0.00 1.01 0.00 0.00 58.87 58.08 1y6i n SER 170 Cb 0.21 -0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 1y6i n SER 170 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y6i n GLY 171 N 0.84 0.57 2.43 0.23 0.00 -0.56 -2.75 105.19 105.95 1y6i n GLY 171 Ca 0.11 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 1y6i n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y6i n LYS 172 N -2.34 -1.58 -3.46 1.61 5.02 0.14 -4.97 118.16 112.58 1y6i n LYS 172 Ca -0.11 1.04 -0.43 0.00 -2.02 0.00 0.00 58.31 56.80 1y6i n LYS 172 Cb 0.45 -5.62 -0.10 0.00 -0.02 0.00 0.00 35.03 29.74 1y6i n LYS 172 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1y6i s GLU 173 N -4.73 3.06 0.48 1.97 2.02 -1.11 -4.95 118.70 115.45 1y6i s GLU 173 Ca 0.00 -0.94 0.18 0.00 0.02 0.00 0.00 54.97 54.22 1y6i s GLU 173 Cb 0.00 -3.95 1.19 0.00 0.10 0.00 0.00 34.13 31.47 1y6i s GLU 173 CO 0.00 -0.70 2.06 0.74 0.02 0.00 0.00 175.26 177.37 1y6i h PHE 174 N 8.61 0.00 0.00 1.61 0.04 -1.93 -1.50 116.94 123.77 1y6i h PHE 174 Ca -0.28 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.48 1y6i h PHE 174 Cb 1.13 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.27 1y6i h PHE 174 CO 0.57 0.12 -0.05 1.79 -0.60 0.00 0.00 178.31 180.15 1y6i h THR 175 N 0.00 0.68 0.03 -1.55 1.35 -1.97 -1.79 112.91 109.66 1y6i h THR 175 Ca -0.00 -0.19 -0.33 0.00 -0.55 0.00 0.00 66.41 65.34 1y6i h THR 175 Cb 0.24 1.11 -0.05 0.00 -1.73 0.00 0.00 68.15 67.72 1y6i h THR 175 CO 0.02 0.05 -2.00 0.29 -0.25 0.00 0.00 175.52 173.62 1y6i n LYS 176 N -3.97 0.67 -0.08 4.72 5.02 -0.63 -4.41 118.16 119.49 1y6i n LYS 176 Ca -0.03 0.21 -0.11 0.00 -2.02 0.00 0.00 58.31 56.36 1y6i n LYS 176 Cb 0.14 -1.69 -0.04 0.00 -0.02 0.00 0.00 35.03 33.42 1y6i n LYS 176 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1y6i h LEU 177 N 0.02 0.35 -0.64 -0.35 5.85 -0.86 -3.03 115.31 116.65 1y6i h LEU 177 Ca -0.40 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.20 1y6i h LEU 177 Cb 2.06 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.93 1y6i h LEU 177 CO 0.05 0.47 0.26 -0.50 -0.34 0.00 0.00 178.44 178.39 1y6i h TRP 178 N 0.22 0.46 -0.04 1.25 -0.00 -1.55 -1.29 115.95 115.00 1y6i h TRP 178 Ca 0.08 0.03 -0.12 0.00 -0.00 0.00 0.00 58.89 58.88 1y6i h TRP 178 Cb 0.24 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 29.28 1y6i h TRP 178 CO 0.00 0.13 -0.51 -1.00 -0.00 0.00 0.00 178.44 177.07 1y6i h PRO 179 N 0.46 0.11 -0.98 0.49 0.13 -1.76 -0.22 132.00 130.23 1y6i h PRO 179 Ca 0.32 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.41 1y6i h PRO 179 Cb 0.38 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.46 1y6i h PRO 179 CO -0.30 0.59 0.65 -0.22 -0.23 0.00 0.00 178.00 178.49 1y6i h LYS 180 N 0.09 1.25 -0.60 0.86 1.63 -1.15 -2.79 116.57 115.86 1y6i h LYS 180 Ca 0.00 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1y6i h LYS 180 Cb 0.93 -0.28 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1y6i h LYS 180 CO 0.07 0.83 0.00 0.44 -3.45 0.00 0.00 179.45 177.34 1y6i n ILE 181 N -4.43 0.82 -2.06 2.00 -5.35 -0.62 -4.74 119.36 104.98 1y6i n ILE 181 Ca 0.12 -0.91 -0.03 0.00 -0.27 0.00 0.00 62.75 61.66 1y6i n ILE 181 Cb 0.06 0.68 -0.00 0.00 -1.74 0.00 0.00 39.64 38.63 1y6i n ILE 181 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1y6i n GLY 182 N 1.57 0.24 3.18 3.28 0.00 -0.24 -4.06 105.19 109.15 1y6i n GLY 182 Ca 0.22 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 1y6i n GLY 182 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1y6i s TRP 183 N -2.16 3.47 0.33 1.61 0.51 -0.35 -4.98 118.94 117.36 1y6i s TRP 183 Ca 0.00 -2.06 -0.28 0.00 -2.12 0.00 0.00 56.10 51.64 1y6i s TRP 183 Cb 0.00 -3.07 -0.09 0.00 -0.81 0.00 0.00 33.47 29.50 1y6i s TRP 183 CO 0.00 -0.93 1.11 0.15 -0.51 0.00 0.00 176.95 176.77 1y6i s LYS 184 N 1.25 4.43 0.36 4.98 1.02 -1.26 -4.38 119.74 126.14 1y6i s LYS 184 Ca 0.05 1.76 -0.28 0.00 0.02 0.00 0.00 55.97 57.51 1y6i s LYS 184 Cb -0.23 -2.96 -0.11 0.00 -0.52 0.00 0.00 37.83 34.01 1y6i s LYS 184 CO -0.02 0.04 1.49 0.43 -0.92 0.00 0.00 175.35 176.36 1y6i n SER 185 N 0.72 3.69 0.00 2.83 7.64 -1.26 -1.34 113.62 125.90 1y6i n SER 185 Ca 0.01 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1y6i n SER 185 Cb 0.46 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 1y6i n SER 185 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y6i n GLY 186 N 0.78 2.18 3.43 0.23 0.00 -1.26 -4.93 105.19 105.63 1y6i n GLY 186 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1y6i n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1y6i s ASN 187 N -3.56 6.97 0.14 1.61 2.47 -0.45 -4.94 114.94 117.18 1y6i s ASN 187 Ca 0.00 -2.81 0.05 0.00 0.42 0.00 0.00 52.86 50.52 1y6i s ASN 187 Cb 0.00 -2.35 -0.04 0.00 -1.45 0.00 0.00 41.25 37.41 1y6i s ASN 187 CO 0.00 -0.74 -0.12 0.68 -3.72 0.00 0.00 177.10 173.20 1y6i s VAL 188 N 1.29 1.26 0.10 -5.21 -7.23 -1.26 -4.69 120.40 104.66 1y6i s VAL 188 Ca 0.36 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 1y6i s VAL 188 Cb -0.05 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 1y6i s VAL 188 CO -0.05 -0.62 -0.04 -1.66 -0.31 0.00 0.00 175.10 172.43 1y6i s TRP 189 N -2.87 0.83 -0.01 2.82 -2.14 -1.26 -4.96 118.94 111.35 1y6i s TRP 189 Ca 0.14 -1.00 0.03 0.00 2.66 0.00 0.00 56.10 57.93 1y6i s TRP 189 Cb -0.00 -0.50 -0.05 0.00 -3.10 0.00 0.00 33.47 29.82 1y6i s TRP 189 CO 0.02 -0.26 0.05 0.25 -2.66 0.00 0.00 176.95 174.36 1y6i n THR 190 N -0.03 0.08 -0.01 0.66 -2.24 -1.26 -4.78 114.28 106.70 1y6i n THR 190 Ca -0.11 -0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.55 1y6i n THR 190 Cb 0.61 -0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.78 1y6i n THR 190 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1y6i n ARG 191 N -1.80 0.05 -3.63 -0.78 1.74 -1.26 -4.72 116.66 106.25 1y6i n ARG 191 Ca -0.02 0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 56.92 1y6i n ARG 191 Cb 0.28 -0.86 -0.07 0.00 -1.02 0.00 0.00 32.46 30.79 1y6i n ARG 191 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 1y6i s TRP 192 N -2.04 -0.65 0.45 -1.55 1.48 -1.26 -5.00 118.94 110.37 1y6i s TRP 192 Ca -0.03 1.45 -0.22 0.00 -1.06 0.00 0.00 56.10 56.24 1y6i s TRP 192 Cb 0.01 0.27 -0.08 0.00 -1.16 0.00 0.00 33.47 32.51 1y6i s TRP 192 CO 0.04 -0.41 1.08 -1.25 -4.06 0.00 0.00 176.95 172.35 1y6i s PRO 193 N -0.18 3.90 0.08 3.25 0.04 -1.26 -4.82 135.00 136.01 1y6i s PRO 193 Ca -0.04 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 62.46 1y6i s PRO 193 Cb -0.03 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 1y6i s PRO 193 CO 0.03 -0.38 0.17 -1.59 0.04 0.00 0.00 177.00 175.27 1y6i s LYS 194 N -2.81 0.80 0.00 4.56 -2.85 -1.26 -4.90 119.74 113.28 1y6i s LYS 194 Ca 0.63 -0.96 0.00 0.00 -1.00 0.00 0.00 55.97 54.64 1y6i s LYS 194 Cb -0.22 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 1y6i s LYS 194 CO 0.27 -0.24 0.00 0.41 0.10 0.00 0.00 175.35 175.89 1y6i n GLY 195 N 0.02 0.75 3.97 0.59 0.00 -1.26 -4.96 105.19 104.30 1y6i n GLY 195 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1y6i n GLY 195 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y6i s PHE 196 N -2.99 2.91 -0.58 1.61 0.08 -1.26 -5.07 117.98 112.69 1y6i s PHE 196 Ca 0.00 0.02 -0.06 0.00 0.12 0.00 0.00 56.93 57.01 1y6i s PHE 196 Cb 0.00 -2.68 0.15 0.00 -0.57 0.00 0.00 43.02 39.92 1y6i s PHE 196 CO 0.00 -0.78 0.42 0.99 -0.10 0.00 0.00 175.22 175.74 1y6i s THR 197 N -2.72 3.99 -0.52 0.64 2.01 -1.26 -4.98 115.64 112.80 1y6i s THR 197 Ca 0.56 -2.47 -0.05 0.00 0.31 0.00 0.00 61.69 60.04 1y6i s THR 197 Cb -0.10 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 1y6i s THR 197 CO 0.38 -0.84 2.94 0.79 -0.69 0.00 0.00 174.62 177.20 1y6i n TRP 198 N 4.07 1.39 -3.93 4.92 8.01 -1.26 -4.62 117.44 126.02 1y6i n TRP 198 Ca 0.03 -2.01 -0.08 0.00 -1.31 0.00 0.00 57.50 54.13 1y6i n TRP 198 Cb 0.40 -1.55 -0.03 0.00 -2.01 0.00 0.00 31.31 28.12 1y6i n TRP 198 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.69 176.84 1y6i s ASP 199 N 0.84 -0.14 0.00 -0.99 1.47 -1.26 -4.22 116.67 112.37 1y6i s ASP 199 Ca 0.61 -0.81 0.07 0.00 1.18 0.00 0.00 52.55 53.60 1y6i s ASP 199 Cb 0.33 0.67 0.42 0.00 -0.34 0.00 0.00 42.92 44.00 1y6i s ASP 199 CO -0.14 -1.27 0.84 0.18 0.68 0.00 0.00 175.17 175.46 1y6i n LEU 200 N -0.43 0.00 0.00 2.11 4.77 -1.26 -1.70 117.00 120.49 1y6i n LEU 200 Ca -0.03 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.08 1y6i n LEU 200 Cb 0.60 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 42.13 1y6i n LEU 200 CO 0.19 0.00 0.71 -1.54 -1.33 0.00 0.00 177.39 175.42 1y6i n SER 201 N -0.76 0.26 -4.70 -1.43 3.41 -1.26 -4.88 113.62 104.26 1y6i n SER 201 Ca 0.05 0.14 -0.31 0.00 -0.26 0.00 0.00 58.87 58.49 1y6i n SER 201 Cb 0.02 -0.14 0.14 0.00 -0.26 0.00 0.00 64.21 63.98 1y6i n SER 201 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y6i s ALA 202 N -3.01 1.70 0.76 7.33 0.00 -0.69 -4.98 121.76 122.87 1y6i s ALA 202 Ca 0.12 0.45 -0.14 0.00 0.00 0.00 0.00 51.96 52.39 1y6i s ALA 202 Cb 0.18 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.98 1y6i s ALA 202 CO 0.62 -2.43 1.20 -2.14 0.00 0.00 0.00 175.76 173.00 1y6i s PRO 203 N -4.74 1.99 0.24 0.00 0.02 -1.26 -4.90 135.00 126.35 1y6i s PRO 203 Ca 0.65 1.72 -0.31 0.00 0.02 0.00 0.00 61.00 63.07 1y6i s PRO 203 Cb -0.21 -1.82 -0.12 0.00 0.02 0.00 0.00 34.50 32.37 1y6i s PRO 203 CO 0.57 -1.94 1.64 0.94 -0.33 0.00 0.00 177.00 177.88 1y6i n GLN 204 N -2.94 2.63 -0.46 5.54 7.27 -1.26 -1.89 117.38 126.26 1y6i n GLN 204 Ca 0.13 0.94 0.00 0.00 0.07 0.00 0.00 57.00 58.14 1y6i n GLN 204 Cb 0.50 -2.74 0.00 0.00 2.41 0.00 0.00 30.24 30.41 1y6i n GLN 204 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1y6i n GLY 205 N 3.07 1.00 0.35 1.69 0.00 0.57 -4.57 105.19 107.30 1y6i n GLY 205 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 1y6i n GLY 205 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1y6i h HIS 206 N 0.00 0.80 -3.21 1.61 2.76 -1.52 -3.44 115.15 112.15 1y6i h HIS 206 Ca 0.00 0.02 -0.50 0.00 -2.20 0.00 0.00 60.37 57.69 1y6i h HIS 206 Cb 0.00 -0.26 -0.17 0.00 1.55 0.00 0.00 27.41 28.53 1y6i h HIS 206 CO 0.00 0.43 -0.77 -0.51 -1.30 0.00 0.00 177.93 175.78 1y6i s LEU 207 N -9.74 2.46 0.61 0.26 1.43 -1.26 -4.36 118.68 108.08 1y6i s LEU 207 Ca -0.10 -0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 51.95 1y6i s LEU 207 Cb 0.19 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 1y6i s LEU 207 CO 0.77 -0.07 1.08 -2.84 0.23 0.00 0.00 176.35 175.53 1y6i s PRO 208 N -2.97 3.14 0.33 1.29 0.02 -1.26 -1.51 135.00 134.04 1y6i s PRO 208 Ca 0.17 1.32 -0.26 0.00 0.02 0.00 0.00 61.00 62.25 1y6i s PRO 208 Cb -0.05 -2.00 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 1y6i s PRO 208 CO 0.06 -0.97 0.95 -0.51 -0.33 0.00 0.00 177.00 176.21 1y6i s LEU 209 N -4.53 4.30 -0.27 -5.54 1.43 -1.26 -4.94 118.68 107.87 1y6i s LEU 209 Ca 0.66 1.83 0.03 0.00 -1.03 0.00 0.00 54.13 55.62 1y6i s LEU 209 Cb -0.18 -4.06 0.07 0.00 0.03 0.00 0.00 46.19 42.05 1y6i s LEU 209 CO 0.37 -0.10 -0.05 -0.76 0.23 0.00 0.00 176.35 176.03 1y6i s LEU 210 N -2.16 3.49 0.08 1.79 1.43 -1.26 -4.95 118.68 117.10 1y6i s LEU 210 Ca 0.51 -1.53 -0.36 0.00 -1.03 0.00 0.00 54.13 51.73 1y6i s LEU 210 Cb -0.18 -1.45 -0.15 0.00 0.03 0.00 0.00 46.19 44.43 1y6i s LEU 210 CO 0.23 -0.25 1.49 -3.20 0.23 0.00 0.00 176.35 174.84 1y6i n ASN 211 N 4.46 2.35 -1.04 2.29 2.85 -1.26 -4.87 115.26 120.04 1y6i n ASN 211 Ca -0.09 1.09 0.10 0.00 -0.11 0.00 0.00 54.58 55.58 1y6i n ASN 211 Cb 0.42 -1.29 0.26 0.00 1.24 0.00 0.00 39.78 40.42 1y6i n ASN 211 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1y6i n GLN 212 N 3.26 2.32 -0.33 1.20 1.13 -1.26 -4.36 117.38 119.34 1y6i n GLN 212 Ca 0.19 -2.04 0.17 0.00 -1.94 0.00 0.00 57.00 53.37 1y6i n GLN 212 Cb 0.23 -1.46 0.33 0.00 0.11 0.00 0.00 30.24 29.45 1y6i n GLN 212 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1y6i h LEU 213 N 3.53 -0.26 -2.55 1.08 5.85 -1.89 -0.36 115.31 120.70 1y6i h LEU 213 Ca 0.00 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1y6i h LEU 213 Cb 0.80 0.41 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1y6i h LEU 213 CO 0.00 -0.32 0.00 0.54 -0.34 0.00 0.00 178.44 178.32 1y6i n ARG 214 N -5.40 2.94 0.00 1.25 1.74 -1.26 -5.06 116.66 110.86 1y6i n ARG 214 Ca 0.25 -2.40 0.00 0.00 -0.77 0.00 0.00 57.85 54.93 1y6i n ARG 214 Cb 0.82 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 1y6i n ARG 214 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y6i n GLY 215 N 1.28 -3.05 0.00 -0.13 0.00 -0.15 -4.60 105.19 98.54 1y6i n GLY 215 Ca 0.22 -1.82 0.15 0.00 0.00 0.00 0.00 46.02 44.57 1y6i n GLY 215 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1y6i n VAL 216 N -0.37 0.01 -0.21 1.61 0.24 -1.26 -4.39 118.33 113.96 1y6i n VAL 216 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.26 1y6i n VAL 216 Cb 0.00 -0.51 0.06 0.00 -1.47 0.00 0.00 33.84 31.92 1y6i n VAL 216 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1y6i h ARG 217 N 0.00 0.69 -0.69 7.34 9.65 -1.99 -0.41 114.38 128.97 1y6i h ARG 217 Ca 0.00 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.76 1y6i h ARG 217 Cb 0.23 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 1y6i h ARG 217 CO 0.00 0.45 0.14 0.28 2.80 0.00 0.00 179.97 183.64 1y6i h VAL 218 N 0.71 1.26 -0.26 0.20 2.07 -1.92 -1.11 116.25 117.20 1y6i h VAL 218 Ca 0.25 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1y6i h VAL 218 Cb 0.06 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1y6i h VAL 218 CO -0.12 0.38 -0.01 0.00 0.02 0.00 0.00 177.57 177.84 1y6i h ALA 219 N 1.09 0.35 -0.47 1.67 0.00 -1.70 -0.72 119.26 119.48 1y6i h ALA 219 Ca 0.21 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1y6i h ALA 219 Cb 0.41 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1y6i h ALA 219 CO 0.01 0.10 0.22 1.49 0.00 0.00 0.00 179.25 181.07 1y6i h GLU 220 N 0.24 0.42 -0.47 0.00 4.81 -1.03 0.15 114.58 118.70 1y6i h GLU 220 Ca 0.07 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1y6i h GLU 220 Cb 0.45 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1y6i h GLU 220 CO 0.02 0.28 0.14 0.77 -0.73 0.00 0.00 179.01 179.48 1y6i h SER 221 N 0.43 0.63 -0.27 1.04 0.02 -1.06 -0.40 113.55 113.94 1y6i h SER 221 Ca 0.21 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 1y6i h SER 221 Cb 0.14 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1y6i h SER 221 CO -0.17 0.61 -0.31 0.25 -1.14 0.00 0.00 176.83 176.08 1y6i h LEU 222 N 0.68 0.74 -1.08 5.07 5.85 -0.13 -2.26 115.31 124.17 1y6i h LEU 222 Ca 0.16 -0.49 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1y6i h LEU 222 Cb 0.22 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1y6i h LEU 222 CO -0.01 1.08 -0.19 1.88 -0.34 0.00 0.00 178.44 180.86 1y6i h TYR 223 N 0.41 0.00 -0.02 1.25 0.05 -0.32 -2.33 116.97 116.02 1y6i h TYR 223 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1y6i h TYR 223 Cb 0.89 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.63 1y6i h TYR 223 CO 0.08 0.19 -0.02 0.54 -1.05 0.00 0.00 178.16 177.90 1y6i n ARG 224 N -3.33 1.77 -1.82 4.88 1.74 -0.20 -4.93 116.66 114.76 1y6i n ARG 224 Ca 0.00 -1.16 -0.40 0.00 -0.77 0.00 0.00 57.85 55.52 1y6i n ARG 224 Cb 0.43 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.40 1y6i n ARG 224 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1y6i s HIS 225 N -2.03 2.54 -0.17 -1.55 2.46 -0.86 -4.89 115.29 110.79 1y6i s HIS 225 Ca 0.35 1.24 0.24 0.00 0.47 0.00 0.00 55.06 57.36 1y6i s HIS 225 Cb 0.21 -3.93 1.25 0.00 -0.13 0.00 0.00 32.58 29.97 1y6i s HIS 225 CO 0.34 -2.88 1.75 -1.00 -2.47 0.00 0.00 174.74 170.48 1y6i h PRO 226 N 2.61 0.00 -0.78 2.88 0.13 -1.91 -3.21 132.00 131.72 1y6i h PRO 226 Ca -0.51 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.69 1y6i h PRO 226 Cb 1.25 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 1y6i h PRO 226 CO 0.62 0.00 0.51 -0.24 -0.23 0.00 0.00 178.00 178.66 1y6i h VAL 227 N 0.00 1.02 0.34 1.56 3.04 -1.91 -1.06 116.25 119.23 1y6i h VAL 227 Ca 0.00 -0.28 -0.02 0.00 -1.01 0.00 0.00 66.70 65.39 1y6i h VAL 227 Cb 0.10 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.51 1y6i h VAL 227 CO 0.00 0.15 -0.16 -0.50 -1.01 0.00 0.00 177.57 176.05 1y6i h TRP 228 N 0.81 -0.42 -0.54 3.17 4.06 -1.92 0.13 115.95 121.24 1y6i h TRP 228 Ca 0.34 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 61.20 1y6i h TRP 228 Cb 0.28 0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.56 1y6i h TRP 228 CO -0.00 -0.20 0.02 0.77 -3.56 0.00 0.00 178.44 175.47 1y6i h SER 229 N -0.56 0.88 -0.90 -3.49 0.02 -1.78 0.96 113.55 108.68 1y6i h SER 229 Ca -0.05 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.72 1y6i h SER 229 Cb 0.41 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 1y6i h SER 229 CO 0.08 0.93 0.58 -0.61 -1.14 0.00 0.00 176.83 176.67 1y6i h GLN 230 N 0.85 1.09 -0.55 3.45 4.15 -0.80 -2.88 115.11 120.42 1y6i h GLN 230 Ca 0.16 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1y6i h GLN 230 Cb 0.48 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1y6i h GLN 230 CO 0.02 0.72 0.00 0.66 -1.93 0.00 0.00 178.83 178.31 1y6i n TYR 231 N -4.52 1.15 -1.97 3.99 4.02 0.41 -4.99 117.16 115.26 1y6i n TYR 231 Ca 0.11 -0.61 -0.08 0.00 -0.01 0.00 0.00 57.90 57.32 1y6i n TYR 231 Cb 0.09 -0.18 -0.01 0.00 -0.02 0.00 0.00 39.34 39.22 1y6i n TYR 231 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y6i n GLY 232 N 0.87 0.23 0.16 2.72 0.00 -0.83 -5.04 105.19 103.30 1y6i n GLY 232 Ca 0.22 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.81 1y6i n GLY 232 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11