#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwz s HIS 11 N 0.00 2.25 -0.10 1.61 5.65 -1.26 -5.10 115.29 118.35 1qwz s HIS 11 Ca 0.00 -2.70 0.02 0.00 0.25 0.00 0.00 55.06 52.63 1qwz s HIS 11 Cb 0.00 -1.89 -0.01 0.00 -1.18 0.00 0.00 32.58 29.49 1qwz s HIS 11 CO 0.00 -0.72 -0.16 -1.01 -0.65 0.00 0.00 174.74 172.20 1qwz s HIS 12 N -0.30 2.70 -0.24 3.88 0.09 -1.26 -5.00 115.29 115.16 1qwz s HIS 12 Ca 0.24 -0.59 0.21 0.00 -0.00 0.00 0.00 55.06 54.92 1qwz s HIS 12 Cb -0.10 -1.74 0.03 0.00 -0.00 0.00 0.00 32.58 30.77 1qwz s HIS 12 CO -0.11 -0.15 1.12 0.45 -0.00 0.00 0.00 174.74 176.06 1qwz h HIS 13 N 6.30 0.00 -3.17 1.40 -0.00 -1.99 -3.47 115.15 114.22 1qwz h HIS 13 Ca -0.30 0.00 -0.40 0.00 -0.00 0.00 0.00 60.37 59.67 1qwz h HIS 13 Cb 1.20 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 28.46 1qwz h HIS 13 CO 0.49 0.15 -0.67 -1.01 -0.00 0.00 0.00 177.93 176.89 1qwz s HIS 14 N -3.22 1.61 0.10 2.45 4.02 -1.26 -5.05 115.29 113.94 1qwz s HIS 14 Ca 0.01 -0.85 -0.22 0.00 1.02 0.00 0.00 55.06 55.02 1qwz s HIS 14 Cb 0.08 -0.92 -0.10 0.00 -1.02 0.00 0.00 32.58 30.62 1qwz s HIS 14 CO 0.77 0.05 1.72 1.25 1.02 0.00 0.00 174.74 179.55 1qwz h HIS 15 N 2.47 -0.06 -2.52 1.40 -0.00 -2.06 -3.43 115.15 110.95 1qwz h HIS 15 Ca -0.38 0.01 -0.60 0.00 -0.00 0.00 0.00 60.37 59.39 1qwz h HIS 15 Cb 1.22 0.04 -0.13 0.00 -0.00 0.00 0.00 27.41 28.53 1qwz h HIS 15 CO 0.61 -0.04 -0.72 -1.01 -0.00 0.00 0.00 177.93 176.76 1qwz s HIS 16 N -6.19 2.50 0.25 5.26 4.02 -1.26 -5.11 115.29 114.75 1qwz s HIS 16 Ca -0.13 -0.28 -0.30 0.00 1.02 0.00 0.00 55.06 55.38 1qwz s HIS 16 Cb 0.08 -1.14 -0.09 0.00 -1.02 0.00 0.00 32.58 30.41 1qwz s HIS 16 CO 0.67 0.61 1.04 -3.38 1.02 0.00 0.00 174.74 174.71 1qwz s HIS 17 N -2.16 3.72 -0.21 1.40 0.00 -1.26 -5.01 115.29 111.77 1qwz s HIS 17 Ca 0.28 1.76 -0.01 0.00 -3.00 0.00 0.00 55.06 54.09 1qwz s HIS 17 Cb -0.07 -3.18 0.01 0.00 -4.00 0.00 0.00 32.58 25.35 1qwz s HIS 17 CO 0.16 -0.21 -0.11 -1.01 -1.00 0.00 0.00 174.74 172.57 1qwz s HIS 18 N -1.00 2.93 0.38 0.38 4.02 -1.26 -5.10 115.29 115.64 1qwz s HIS 18 Ca 0.44 -1.43 -0.25 0.00 1.02 0.00 0.00 55.06 54.84 1qwz s HIS 18 Cb -0.29 -2.02 -0.09 0.00 -1.02 0.00 0.00 32.58 29.16 1qwz s HIS 18 CO 0.37 -0.71 1.09 -1.01 1.02 0.00 0.00 174.74 175.50 1qwz s HIS 19 N 1.35 3.24 -0.06 1.40 0.09 -1.26 -4.97 115.29 115.08 1qwz s HIS 19 Ca 0.03 1.62 0.17 0.00 -0.00 0.00 0.00 55.06 56.89 1qwz s HIS 19 Cb -0.15 -3.24 -0.26 0.00 -0.00 0.00 0.00 32.58 28.93 1qwz s HIS 19 CO -0.07 -0.85 0.31 0.72 -0.00 0.00 0.00 174.74 174.85 1qwz n HIS 20 N 0.13 0.00 -3.21 1.40 -0.00 -1.26 -4.82 115.22 107.46 1qwz n HIS 20 Ca 0.04 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.37 1qwz n HIS 20 Cb 0.48 -0.52 -0.06 0.00 -0.00 0.00 0.00 29.99 29.89 1qwz n HIS 20 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1qwz s SER 21 N -4.34 6.72 0.38 0.41 0.15 -1.26 -4.89 113.70 110.88 1qwz s SER 21 Ca -0.07 0.87 0.17 0.00 0.70 0.00 0.00 55.95 57.61 1qwz s SER 21 Cb 0.10 -2.32 1.06 0.00 -1.71 0.00 0.00 66.02 63.15 1qwz s SER 21 CO 0.74 -0.11 1.77 0.77 1.20 0.00 0.00 173.24 177.61 1qwz h SER 22 N 7.01 0.49 0.34 5.45 4.64 -1.93 0.27 113.55 129.82 1qwz h SER 22 Ca -0.38 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1qwz h SER 22 Cb 1.17 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1qwz h SER 22 CO 0.76 0.10 0.00 1.23 -0.87 0.00 0.00 176.83 178.04 1qwz h GLY 23 N 0.43 0.00 -0.53 -0.77 0.00 -2.01 -2.74 103.07 97.46 1qwz h GLY 23 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1qwz h GLY 23 CO -0.32 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.64 1qwz n HIS 24 N -3.04 0.00 -2.82 5.60 8.25 0.90 -4.95 115.22 119.17 1qwz n HIS 24 Ca -0.02 -0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 1qwz n HIS 24 Cb 0.15 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 1qwz n HIS 24 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1qwz s ILE 25 N -0.55 4.84 0.37 1.59 1.01 -0.84 -4.85 121.20 122.78 1qwz s ILE 25 Ca 0.08 1.78 0.05 0.00 0.00 0.00 0.00 60.65 62.55 1qwz s ILE 25 Cb 0.05 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 1qwz s ILE 25 CO 0.08 0.00 0.04 -0.55 0.00 0.00 0.00 174.94 174.52 1qwz s SER 26 N 1.14 3.04 0.00 3.58 0.15 -1.26 -4.98 113.70 115.37 1qwz s SER 26 Ca 0.41 -1.41 0.00 0.00 0.70 0.00 0.00 55.95 55.65 1qwz s SER 26 Cb -0.17 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 1qwz s SER 26 CO 0.13 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1qwz n GLY 27 N -0.84 -1.80 3.90 9.45 0.00 -1.26 -4.94 105.19 109.70 1qwz n GLY 27 Ca -0.05 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 1qwz n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qwz s ASP 28 N -4.00 5.06 -1.05 1.61 1.01 -1.26 -4.43 116.67 113.60 1qwz s ASP 28 Ca 0.00 0.85 -0.16 0.00 0.71 0.00 0.00 52.55 53.95 1qwz s ASP 28 Cb 0.00 -1.55 -0.01 0.00 1.01 0.00 0.00 42.92 42.37 1qwz s ASP 28 CO 0.00 -1.53 0.76 0.00 0.21 0.00 0.00 175.17 174.61 1qwz n ALA 29 N -3.04 -2.58 -0.06 5.23 0.00 -1.26 -4.88 120.51 113.93 1qwz n ALA 29 Ca 0.07 -0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.19 1qwz n ALA 29 Cb 0.59 -3.40 -0.05 0.00 0.00 0.00 0.00 19.45 16.60 1qwz n ALA 29 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1qwz h MET 30 N -1.40 0.31 -0.17 0.00 2.86 -1.92 -2.34 114.93 112.28 1qwz h MET 30 Ca -0.58 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.01 1qwz h MET 30 Cb 1.32 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.92 1qwz h MET 30 CO 0.44 0.41 0.03 0.93 1.06 0.00 0.00 176.91 179.79 1qwz h GLU 31 N 0.15 0.10 -0.93 1.72 5.08 -1.97 0.07 114.58 118.79 1qwz h GLU 31 Ca 0.06 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1qwz h GLU 31 Cb 0.24 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 1qwz h GLU 31 CO -0.00 0.07 0.60 -0.44 -1.00 0.00 0.00 179.01 178.24 1qwz h ASP 32 N 0.10 0.99 -0.05 1.42 3.45 -1.93 0.66 116.42 121.06 1qwz h ASP 32 Ca 0.07 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.44 1qwz h ASP 32 Cb 0.07 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.60 1qwz h ASP 32 CO -0.10 0.67 -0.24 0.11 -1.57 0.00 0.00 179.24 178.11 1qwz h LYS 33 N 1.15 0.46 -0.35 3.56 1.57 -0.92 -0.05 116.57 122.00 1qwz h LYS 33 Ca 0.38 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.86 1qwz h LYS 33 Cb 0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1qwz h LYS 33 CO -0.13 0.67 -0.29 0.37 -0.57 0.00 0.00 179.45 179.50 1qwz h GLN 34 N 0.41 0.81 -0.51 3.15 5.75 0.13 0.50 115.11 125.35 1qwz h GLN 34 Ca 0.06 -0.41 -0.01 0.00 -0.15 0.00 0.00 58.65 58.14 1qwz h GLN 34 Cb 0.64 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 1qwz h GLN 34 CO 0.05 1.04 0.28 1.49 -2.65 0.00 0.00 178.83 179.04 1qwz h GLU 35 N 0.60 0.72 -0.69 1.69 4.81 -0.65 -0.90 114.58 120.16 1qwz h GLU 35 Ca 0.06 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1qwz h GLU 35 Cb 0.87 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 1qwz h GLU 35 CO 0.08 0.56 0.36 -0.09 -0.73 0.00 0.00 179.01 179.19 1qwz h ARG 36 N 0.69 0.98 -0.57 1.92 2.43 -0.84 -2.57 114.38 116.40 1qwz h ARG 36 Ca 0.18 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1qwz h ARG 36 Cb 0.06 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1qwz h ARG 36 CO -0.03 0.75 0.35 0.00 -1.51 0.00 0.00 179.97 179.53 1qwz h ALA 37 N 1.18 0.74 -0.69 2.80 0.00 -0.32 -0.74 119.26 122.21 1qwz h ALA 37 Ca 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1qwz h ALA 37 Cb 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1qwz h ALA 37 CO -0.04 0.09 0.43 -0.91 0.00 0.00 0.00 179.25 178.83 1qwz h ASN 38 N 0.70 0.82 -0.16 0.00 2.35 -0.82 0.27 115.58 118.74 1qwz h ASN 38 Ca 0.23 -0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.76 1qwz h ASN 38 Cb 0.00 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 1qwz h ASN 38 CO -0.09 0.62 -0.56 1.88 -1.65 0.00 0.00 177.43 177.63 1qwz h TYR 39 N 0.95 0.95 -0.76 1.19 -1.99 -1.04 -1.76 116.97 114.52 1qwz h TYR 39 Ca 0.25 -0.34 -0.04 0.00 2.00 0.00 0.00 58.73 60.60 1qwz h TYR 39 Cb -0.06 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.46 1qwz h TYR 39 CO 0.00 1.13 0.32 0.93 -0.00 0.00 0.00 178.16 180.55 1qwz h GLU 40 N 0.58 1.13 -0.37 4.88 5.08 -0.44 0.19 114.58 125.63 1qwz h GLU 40 Ca 0.01 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1qwz h GLU 40 Cb 1.14 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1qwz h GLU 40 CO 0.12 0.91 0.16 0.87 -1.00 0.00 0.00 179.01 180.06 1qwz h LYS 41 N 1.09 0.54 -0.54 2.33 1.57 -0.86 -1.82 116.57 118.88 1qwz h LYS 41 Ca 0.26 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.83 1qwz h LYS 41 Cb 0.19 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1qwz h LYS 41 CO -0.02 0.52 -0.11 1.25 -0.57 0.00 0.00 179.45 180.52 1qwz h LEU 42 N 0.45 1.03 -1.23 2.94 5.85 -0.99 -1.81 115.31 121.54 1qwz h LEU 42 Ca 0.12 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1qwz h LEU 42 Cb 0.17 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1qwz h LEU 42 CO -0.01 1.14 0.47 1.56 -0.34 0.00 0.00 178.44 181.25 1qwz h GLN 43 N 0.91 0.99 -0.19 1.25 4.20 -0.46 -0.32 115.11 121.50 1qwz h GLN 43 Ca 0.14 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1qwz h GLN 43 Cb 0.67 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1qwz h GLN 43 CO 0.05 0.67 -0.00 0.37 -0.67 0.00 0.00 178.83 179.24 1qwz h GLN 44 N 1.01 0.34 -0.45 1.46 5.75 -1.03 0.32 115.11 122.51 1qwz h GLN 44 Ca 0.27 -0.11 0.03 0.00 -0.15 0.00 0.00 58.65 58.69 1qwz h GLN 44 Cb -0.08 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 1qwz h GLN 44 CO -0.05 0.55 0.24 -0.22 -2.65 0.00 0.00 178.83 176.70 1qwz h LYS 45 N 0.09 0.47 -0.46 1.69 3.64 -0.81 -1.41 116.57 119.79 1qwz h LYS 45 Ca 0.05 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1qwz h LYS 45 Cb 0.40 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1qwz h LYS 45 CO 0.01 0.31 -0.06 0.35 -2.27 0.00 0.00 179.45 177.80 1qwz h PHE 46 N 0.49 0.93 -0.76 1.91 3.57 -0.98 -1.68 116.94 120.42 1qwz h PHE 46 Ca 0.19 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1qwz h PHE 46 Cb 0.07 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 1qwz h PHE 46 CO -0.09 0.92 0.47 0.37 -2.23 0.00 0.00 178.31 177.75 1qwz h GLN 47 N 0.68 1.03 -0.62 1.11 4.15 -0.64 0.15 115.11 120.96 1qwz h GLN 47 Ca 0.12 -0.09 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 1qwz h GLN 47 Cb 0.58 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1qwz h GLN 47 CO 0.03 0.71 0.03 0.52 -1.93 0.00 0.00 178.83 178.20 1qwz h MET 48 N 1.04 1.07 -0.50 1.69 2.86 -1.14 -1.70 114.93 118.25 1qwz h MET 48 Ca 0.27 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1qwz h MET 48 Cb -0.06 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 1qwz h MET 48 CO -0.05 1.02 0.29 -0.07 1.06 0.00 0.00 176.91 179.15 1qwz h LEU 49 N 0.98 0.61 -0.37 1.22 3.38 -0.67 -1.75 115.31 118.72 1qwz h LEU 49 Ca 0.18 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1qwz h LEU 49 Cb 0.52 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1qwz h LEU 49 CO 0.03 0.51 0.16 0.24 0.09 0.00 0.00 178.44 179.46 1qwz h MET 50 N 0.66 0.54 0.00 1.13 2.86 -0.77 -1.07 114.93 118.28 1qwz h MET 50 Ca 0.18 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1qwz h MET 50 Cb 0.02 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 1qwz h MET 50 CO -0.03 0.51 -0.16 0.66 1.06 0.00 0.00 176.91 178.95 1qwz h SER 51 N 0.45 0.00 0.05 1.22 4.64 -1.17 -3.13 113.55 115.61 1qwz h SER 51 Ca 0.12 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.38 1qwz h SER 51 Cb 0.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1qwz h SER 51 CO -0.01 0.16 -0.30 0.50 -0.87 0.00 0.00 176.83 176.31 1qwz h LYS 52 N 0.00 0.11 -2.57 4.77 3.64 -0.91 -3.37 116.57 118.25 1qwz h LYS 52 Ca -0.00 -0.19 -0.79 0.00 -1.27 0.00 0.00 60.65 58.39 1qwz h LYS 52 Cb 0.43 0.07 -0.24 0.00 -0.41 0.00 0.00 32.23 32.08 1qwz h LYS 52 CO 0.02 1.08 1.29 0.72 -2.27 0.00 0.00 179.45 180.29 1qwz n HIS 53 N -4.43 2.61 0.33 1.91 8.25 -0.44 -4.81 115.22 118.64 1qwz n HIS 53 Ca -0.11 -2.62 0.21 0.00 -0.26 0.00 0.00 57.72 54.94 1qwz n HIS 53 Cb 0.60 -1.38 1.15 0.00 1.12 0.00 0.00 29.99 31.49 1qwz n HIS 53 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1qwz h GLN 54 N 4.69 0.00 -0.00 -0.41 4.20 -1.73 -2.61 115.11 119.25 1qwz h GLN 54 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1qwz h GLN 54 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1qwz h GLN 54 CO 1.30 0.00 -0.65 0.00 -0.67 0.00 0.00 178.83 178.81 1qwz n ALA 55 N -2.08 3.84 -3.63 3.87 0.00 -1.26 -5.04 120.51 116.22 1qwz n ALA 55 Ca -0.03 -0.44 -0.07 0.00 0.00 0.00 0.00 53.44 52.91 1qwz n ALA 55 Cb 0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 1qwz n ALA 55 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1qwz n HIS 56 N -1.18 -0.02 0.00 0.00 8.25 -0.99 -5.07 115.22 116.21 1qwz n HIS 56 Ca 0.03 -0.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 1qwz n HIS 56 Cb 0.25 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1qwz n HIS 56 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1qwz n VAL 57 N -0.21 0.00 0.02 1.59 3.14 -1.26 -4.88 118.33 116.73 1qwz n VAL 57 Ca -0.01 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 1qwz n VAL 57 Cb 0.15 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.87 1qwz n VAL 57 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1qwz h ARG 58 N 0.00 0.05 -0.84 1.45 2.43 -1.84 -2.88 114.38 112.74 1qwz h ARG 58 Ca 0.00 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 1qwz h ARG 58 Cb 0.00 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 1qwz h ARG 58 CO 0.00 0.07 0.55 -1.35 -1.51 0.00 0.00 179.97 177.73 1qwz h PRO 59 N 0.02 0.80 -0.67 0.20 0.11 -1.91 -0.37 132.00 130.19 1qwz h PRO 59 Ca 0.01 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.08 1qwz h PRO 59 Cb 0.03 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 30.93 1qwz h PRO 59 CO -0.00 0.53 0.44 1.96 -0.21 0.00 0.00 178.00 180.72 1qwz h GLN 60 N 0.83 0.87 0.00 1.05 4.20 -1.84 -1.85 115.11 118.37 1qwz h GLN 60 Ca 0.39 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.92 1qwz h GLN 60 Cb 0.40 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1qwz h GLN 60 CO -0.16 0.58 -0.73 0.74 -0.67 0.00 0.00 178.83 178.59 1qwz h PHE 61 N 0.90 0.00 -0.21 2.96 -1.00 -1.26 -2.71 116.94 115.62 1qwz h PHE 61 Ca 0.25 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.95 1qwz h PHE 61 Cb -0.10 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 1qwz h PHE 61 CO -0.03 0.56 -0.20 0.93 -1.61 0.00 0.00 178.31 177.97 1qwz h GLU 62 N 0.00 0.37 -0.29 1.51 5.08 -0.85 0.80 114.58 121.20 1qwz h GLU 62 Ca -0.04 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 1qwz h GLU 62 Cb 1.46 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 1qwz h GLU 62 CO 0.07 0.56 -0.21 1.03 -1.00 0.00 0.00 179.01 179.45 1qwz h SER 63 N 0.34 0.69 -0.03 1.42 0.87 -1.28 -3.04 113.55 112.52 1qwz h SER 63 Ca 0.06 -0.44 -0.09 0.00 -1.23 0.00 0.00 61.79 60.09 1qwz h SER 63 Cb 0.54 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1qwz h SER 63 CO 0.04 0.98 -0.24 -0.07 -0.53 0.00 0.00 176.83 177.01 1qwz h LEU 64 N 0.39 0.43 -2.65 2.23 3.38 -1.11 -2.60 115.31 115.38 1qwz h LEU 64 Ca 0.06 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1qwz h LEU 64 Cb 0.76 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1qwz h LEU 64 CO 0.06 0.67 -0.00 -0.33 0.09 0.00 0.00 178.44 178.92 1qwz h GLU 65 N 0.38 0.00 0.00 1.13 5.08 -0.74 0.25 114.58 120.68 1qwz h GLU 65 Ca 0.06 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1qwz h GLU 65 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1qwz h GLU 65 CO 0.04 0.00 -0.32 0.87 -1.00 0.00 0.00 179.01 178.61 1qwz h LYS 66 N 0.00 0.00 0.02 2.33 1.57 -1.44 -2.68 116.57 116.36 1qwz h LYS 66 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1qwz h LYS 66 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1qwz h LYS 66 CO 0.00 0.32 -0.21 0.82 -0.57 0.00 0.00 179.45 179.81 1qwz h ILE 67 N 0.00 1.62 -1.98 1.86 2.04 -1.09 -3.46 117.51 116.50 1qwz h ILE 67 Ca -0.00 -2.09 0.06 0.00 1.00 0.00 0.00 64.86 63.82 1qwz h ILE 67 Cb 0.59 2.98 -0.21 0.00 -0.74 0.00 0.00 36.82 39.45 1qwz h ILE 67 CO 0.04 0.56 -0.17 0.21 0.00 0.00 0.00 178.15 178.79 1qwz s ASN 68 N -6.31 -1.05 0.53 1.72 3.84 -1.07 -4.97 114.94 107.63 1qwz s ASN 68 Ca -0.17 1.44 0.36 0.00 0.21 0.00 0.00 52.86 54.70 1qwz s ASN 68 Cb -0.00 2.17 1.88 0.00 -0.55 0.00 0.00 41.25 44.75 1qwz s ASN 68 CO 0.73 -0.23 2.09 0.07 -2.79 0.00 0.00 177.10 176.97 1qwz h LYS 69 N 8.02 0.00 0.00 0.43 2.10 -1.77 -1.73 116.57 123.62 1qwz h LYS 69 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1qwz h LYS 69 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1qwz h LYS 69 CO 0.12 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.32 1qwz n ASP 70 N -2.79 0.00 -4.59 7.07 8.00 -1.26 -4.64 116.55 118.34 1qwz n ASP 70 Ca -0.02 -0.42 -0.43 0.00 0.71 0.00 0.00 54.79 54.64 1qwz n ASP 70 Cb 0.09 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 1qwz n ASP 70 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qwz s ILE 71 N -2.36 4.10 -1.24 0.53 1.01 -0.65 -1.38 121.20 121.21 1qwz s ILE 71 Ca 0.33 1.06 0.13 0.00 0.00 0.00 0.00 60.65 62.18 1qwz s ILE 71 Cb 0.19 -4.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.00 1qwz s ILE 71 CO 0.39 -1.18 0.76 1.33 0.00 0.00 0.00 174.94 176.25 1qwz n VAL 72 N 6.77 0.00 -3.79 2.92 0.24 0.44 -4.72 118.33 120.19 1qwz n VAL 72 Ca 0.10 -0.36 -0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1qwz n VAL 72 Cb 0.49 1.16 0.01 0.00 -1.47 0.00 0.00 33.84 34.03 1qwz n VAL 72 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qwz n GLY 73 N 1.03 0.70 3.08 7.63 0.00 -1.05 -4.22 105.19 112.36 1qwz n GLY 73 Ca 0.06 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 1qwz n GLY 73 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1qwz s TRP 74 N -3.30 -0.24 -0.05 1.61 -0.11 -0.09 0.41 118.94 117.18 1qwz s TRP 74 Ca 0.14 0.59 0.04 0.00 1.22 0.00 0.00 56.10 58.09 1qwz s TRP 74 Cb -0.01 0.07 -0.00 0.00 -1.50 0.00 0.00 33.47 32.02 1qwz s TRP 74 CO 0.02 -0.13 -0.17 -1.50 -4.62 0.00 0.00 176.95 170.54 1qwz s ILE 75 N 0.33 1.47 -0.15 5.86 2.07 -0.29 -1.50 121.20 128.99 1qwz s ILE 75 Ca -0.02 -0.73 -0.10 0.00 -1.41 0.00 0.00 60.65 58.39 1qwz s ILE 75 Cb -0.03 -1.26 0.05 0.00 0.13 0.00 0.00 42.46 41.34 1qwz s ILE 75 CO -0.01 0.42 0.37 -0.75 -1.91 0.00 0.00 174.94 173.06 1qwz s LYS 76 N 0.07 0.38 -0.20 3.50 2.20 -0.44 -1.30 119.74 123.96 1qwz s LYS 76 Ca -0.05 0.63 0.01 0.00 -0.36 0.00 0.00 55.97 56.20 1qwz s LYS 76 Cb -0.12 0.07 0.04 0.00 -1.51 0.00 0.00 37.83 36.31 1qwz s LYS 76 CO 0.03 -0.11 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.64 1qwz s LEU 77 N 0.84 2.23 0.44 5.43 2.96 0.14 -0.55 118.68 130.17 1qwz s LEU 77 Ca -0.05 -0.87 -0.25 0.00 -0.22 0.00 0.00 54.13 52.73 1qwz s LEU 77 Cb -0.06 -1.21 -0.09 0.00 0.50 0.00 0.00 46.19 45.33 1qwz s LEU 77 CO -0.06 -0.15 1.36 -1.20 -1.32 0.00 0.00 176.35 174.98 1qwz n SER 78 N 4.70 2.98 -0.06 3.68 7.64 -1.26 -2.62 113.62 128.68 1qwz n SER 78 Ca -0.14 1.12 -0.01 0.00 1.01 0.00 0.00 58.87 60.84 1qwz n SER 78 Cb 0.47 -1.56 -0.00 0.00 -1.01 0.00 0.00 64.21 62.10 1qwz n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qwz n GLY 79 N 0.68 0.48 3.29 0.23 0.00 -1.26 -5.01 105.19 103.60 1qwz n GLY 79 Ca 0.06 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 1qwz n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qwz s THR 80 N -1.93 0.00 -1.36 2.61 -4.23 -1.08 -5.05 115.64 104.60 1qwz s THR 80 Ca 0.00 -1.93 0.29 0.00 -1.18 0.00 0.00 61.69 58.88 1qwz s THR 80 Cb 0.00 -2.50 0.43 0.00 1.34 0.00 0.00 72.50 71.77 1qwz s THR 80 CO 0.00 0.00 1.96 -1.54 -0.54 0.00 0.00 174.62 174.50 1qwz n SER 81 N -1.04 0.11 -4.55 3.99 3.41 -1.26 -4.72 113.62 109.56 1qwz n SER 81 Ca 0.04 -0.10 -0.38 0.00 -0.26 0.00 0.00 58.87 58.18 1qwz n SER 81 Cb 0.63 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 1qwz n SER 81 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1qwz s LEU 82 N -2.66 3.25 -0.51 1.04 2.96 -1.26 -4.67 118.68 116.83 1qwz s LEU 82 Ca 0.25 -0.07 0.07 0.00 -0.22 0.00 0.00 54.13 54.16 1qwz s LEU 82 Cb 0.20 -2.54 0.20 0.00 0.50 0.00 0.00 46.19 44.55 1qwz s LEU 82 CO 0.49 -2.23 0.77 -3.20 -1.32 0.00 0.00 176.35 170.86 1qwz n ASN 83 N 11.80 -3.31 -4.08 3.68 5.15 -1.23 -0.69 115.26 126.57 1qwz n ASN 83 Ca 0.18 -3.02 -0.08 0.00 -0.60 0.00 0.00 54.58 51.07 1qwz n ASN 83 Cb 0.51 1.78 -0.10 0.00 -0.53 0.00 0.00 39.78 41.43 1qwz n ASN 83 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1qwz s TYR 84 N 0.82 0.52 0.56 1.20 1.51 -0.42 -4.88 117.35 116.67 1qwz s TYR 84 Ca 0.31 -0.97 -0.17 0.00 -1.01 0.00 0.00 57.07 55.23 1qwz s TYR 84 Cb 0.06 -0.38 -0.05 0.00 -0.11 0.00 0.00 41.96 41.48 1qwz s TYR 84 CO -0.10 -0.32 1.05 -1.25 -1.11 0.00 0.00 175.55 173.81 1qwz s PRO 85 N -3.53 3.51 -0.22 -1.71 0.04 -1.26 -1.13 135.00 130.69 1qwz s PRO 85 Ca 0.04 1.23 -0.05 0.00 0.04 0.00 0.00 61.00 62.27 1qwz s PRO 85 Cb 0.05 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1qwz s PRO 85 CO -0.08 -0.66 -0.01 0.08 0.04 0.00 0.00 177.00 176.37 1qwz s VAL 86 N -2.32 3.72 0.16 -0.36 1.01 0.17 -4.31 120.40 118.47 1qwz s VAL 86 Ca 0.64 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1qwz s VAL 86 Cb -0.16 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1qwz s VAL 86 CO 0.31 0.41 0.32 -0.76 0.00 0.00 0.00 175.10 175.38 1qwz s LEU 87 N 1.37 4.30 -0.08 3.92 2.01 -0.32 -0.42 118.68 129.46 1qwz s LEU 87 Ca 0.05 0.27 -0.03 0.00 0.01 0.00 0.00 54.13 54.42 1qwz s LEU 87 Cb -0.15 -3.02 0.04 0.00 0.01 0.00 0.00 46.19 43.08 1qwz s LEU 87 CO -0.00 0.02 0.17 -1.58 1.01 0.00 0.00 176.35 175.97 1qwz s GLN 88 N -3.22 0.11 0.00 1.70 0.74 -0.48 0.33 119.66 118.84 1qwz s GLN 88 Ca 0.36 0.43 0.00 0.00 0.05 0.00 0.00 55.36 56.21 1qwz s GLN 88 Cb -0.11 -0.18 0.00 0.00 1.10 0.00 0.00 33.01 33.82 1qwz s GLN 88 CO 0.29 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.25 1qwz n GLY 89 N 4.37 7.51 0.04 2.59 0.00 -1.26 -4.73 105.19 113.71 1qwz n GLY 89 Ca -0.23 -2.02 0.12 0.00 0.00 0.00 0.00 46.02 43.88 1qwz n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qwz n LYS 90 N 0.00 0.19 -4.34 1.61 5.02 -1.26 -4.56 118.16 114.82 1qwz n LYS 90 Ca 0.00 0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 56.14 1qwz n LYS 90 Cb 0.00 -1.61 -0.09 0.00 -0.02 0.00 0.00 35.03 33.31 1qwz n LYS 90 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qwz s THR 91 N -3.11 0.32 -0.72 -0.18 -4.23 -1.26 -4.87 115.64 101.58 1qwz s THR 91 Ca 0.07 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.66 1qwz s THR 91 Cb 0.15 -2.50 0.44 0.00 1.34 0.00 0.00 72.50 71.92 1qwz s THR 91 CO 0.73 0.00 1.19 0.59 -0.54 0.00 0.00 174.62 176.58 1qwz n ASN 92 N -0.98 3.43 0.00 3.99 3.02 -1.26 -3.66 115.26 119.81 1qwz n ASN 92 Ca 0.01 -2.46 0.00 0.00 -0.03 0.00 0.00 54.58 52.10 1qwz n ASN 92 Cb 0.65 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1qwz n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qwz n HIS 93 N 0.37 0.00 -0.16 3.10 1.44 -1.26 -4.70 115.22 114.01 1qwz n HIS 93 Ca 0.15 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.83 1qwz n HIS 93 Cb 0.72 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.89 1qwz n HIS 93 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 1qwz h ASP 94 N 0.00 -0.24 -0.43 4.39 5.19 -1.97 -2.32 116.42 121.03 1qwz h ASP 94 Ca 0.00 0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 56.42 1qwz h ASP 94 Cb 0.29 0.22 -0.06 0.00 0.18 0.00 0.00 39.33 39.96 1qwz h ASP 94 CO 0.00 -0.08 0.07 -1.22 -3.12 0.00 0.00 179.24 174.88 1qwz n TYR 95 N -5.25 1.45 -0.16 4.55 4.02 -1.26 -4.46 117.16 116.06 1qwz n TYR 95 Ca 0.05 -1.14 -0.10 0.00 -0.01 0.00 0.00 57.90 56.70 1qwz n TYR 95 Cb 0.27 -0.47 -0.00 0.00 -0.02 0.00 0.00 39.34 39.11 1qwz n TYR 95 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1qwz h LEU 96 N 1.91 0.75 -3.37 7.72 5.85 -1.69 -2.03 115.31 124.44 1qwz h LEU 96 Ca 0.13 -0.29 -0.17 0.00 0.84 0.00 0.00 57.88 58.39 1qwz h LEU 96 Cb 1.77 -0.20 -0.21 0.00 0.37 0.00 0.00 40.66 42.40 1qwz h LEU 96 CO 0.42 0.85 -0.74 0.59 -0.34 0.00 0.00 178.44 179.23 1qwz n ASN 97 N -4.42 2.21 -4.02 1.25 5.03 -1.26 -3.33 115.26 110.72 1qwz n ASN 97 Ca 0.00 -3.30 -0.19 0.00 0.87 0.00 0.00 54.58 51.96 1qwz n ASN 97 Cb 0.28 -0.44 -0.15 0.00 -1.02 0.00 0.00 39.78 38.45 1qwz n ASN 97 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1qwz s LEU 98 N -2.67 1.96 0.00 3.41 1.43 -1.24 -1.53 118.68 120.04 1qwz s LEU 98 Ca 0.39 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1qwz s LEU 98 Cb 0.38 -0.49 0.08 0.00 0.03 0.00 0.00 46.19 46.19 1qwz s LEU 98 CO -0.07 0.10 0.54 -0.90 0.23 0.00 0.00 176.35 176.25 1qwz n ASP 99 N 2.97 0.61 0.14 2.29 5.68 -0.02 -2.56 116.55 125.65 1qwz n ASP 99 Ca -0.15 -1.54 0.11 0.00 -0.50 0.00 0.00 54.79 52.71 1qwz n ASP 99 Cb 0.56 -0.36 0.52 0.00 -1.14 0.00 0.00 41.12 40.70 1qwz n ASP 99 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 1qwz n PHE 100 N -2.25 0.74 1.11 2.11 1.16 -1.26 -0.80 117.46 118.27 1qwz n PHE 100 Ca 0.09 0.33 0.12 0.00 -1.87 0.00 0.00 57.45 56.12 1qwz n PHE 100 Cb 0.30 -1.04 0.32 0.00 -1.61 0.00 0.00 39.48 37.46 1qwz n PHE 100 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1qwz n GLU 101 N -2.21 2.01 -2.80 3.97 1.02 -1.26 -4.65 120.64 116.71 1qwz n GLU 101 Ca 0.00 -1.49 -0.16 0.00 -0.02 0.00 0.00 57.16 55.50 1qwz n GLU 101 Cb 0.14 -1.46 0.03 0.00 -0.02 0.00 0.00 31.44 30.12 1qwz n GLU 101 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1qwz n ARG 102 N 0.76 -3.50 -4.23 3.49 1.74 0.02 -5.01 116.66 109.93 1qwz n ARG 102 Ca 0.17 0.64 -0.33 0.00 -0.77 0.00 0.00 57.85 57.55 1qwz n ARG 102 Cb 0.46 -4.93 -0.08 0.00 -1.02 0.00 0.00 32.46 26.89 1qwz n ARG 102 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1qwz s GLU 103 N -5.36 2.94 0.02 5.56 0.41 -1.26 -4.85 118.70 116.16 1qwz s GLU 103 Ca 0.22 -0.51 -0.30 0.00 -0.41 0.00 0.00 54.97 53.96 1qwz s GLU 103 Cb -0.10 -2.77 -0.07 0.00 -1.78 0.00 0.00 34.13 29.41 1qwz s GLU 103 CO 0.27 0.65 1.55 -1.01 -0.49 0.00 0.00 175.26 176.24 1qwz s HIS 104 N -1.08 2.51 -0.09 1.61 3.76 -1.26 -0.84 115.29 119.91 1qwz s HIS 104 Ca 0.19 0.49 -0.05 0.00 -0.15 0.00 0.00 55.06 55.54 1qwz s HIS 104 Cb -0.12 -3.84 0.04 0.00 1.11 0.00 0.00 32.58 29.77 1qwz s HIS 104 CO 0.09 -3.30 0.20 1.03 -0.85 0.00 0.00 174.74 171.92 1qwz s ARG 105 N 2.81 0.18 0.22 1.40 1.81 -0.58 -4.91 118.95 119.88 1qwz s ARG 105 Ca 0.70 0.41 -0.08 0.00 -1.72 0.00 0.00 55.73 55.04 1qwz s ARG 105 Cb -0.35 -0.07 0.32 0.00 -0.45 0.00 0.00 34.95 34.40 1qwz s ARG 105 CO 0.29 -0.13 1.74 -0.09 -0.68 0.00 0.00 175.30 176.44 1qwz h ARG 106 N 6.83 0.42 0.00 3.54 2.43 -1.92 -1.09 114.38 124.58 1qwz h ARG 106 Ca -0.37 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1qwz h ARG 106 Cb 1.16 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1qwz h ARG 106 CO 0.39 0.28 0.00 1.63 -1.51 0.00 0.00 179.97 180.76 1qwz n LYS 107 N -4.99 0.12 0.00 0.20 5.02 -1.26 -4.66 118.16 112.59 1qwz n LYS 107 Ca 0.10 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1qwz n LYS 107 Cb 0.30 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1qwz n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qwz n GLY 108 N 0.86 2.60 3.49 0.72 0.00 -0.41 -4.41 105.19 108.03 1qwz n GLY 108 Ca 0.05 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1qwz n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qwz s SER 109 N -4.00 2.61 -0.16 1.61 0.01 -0.76 -4.46 113.70 108.55 1qwz s SER 109 Ca 0.00 -1.55 -0.21 0.00 1.31 0.00 0.00 55.95 55.50 1qwz s SER 109 Cb 0.00 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.48 1qwz s SER 109 CO 0.00 -0.80 0.61 -0.63 0.41 0.00 0.00 173.24 172.83 1qwz s ILE 110 N -3.26 5.06 0.07 1.44 -1.09 -1.26 -4.59 121.20 117.57 1qwz s ILE 110 Ca 0.28 1.18 0.03 0.00 -2.23 0.00 0.00 60.65 59.92 1qwz s ILE 110 Cb 0.05 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 1qwz s ILE 110 CO 0.14 0.18 -0.09 0.72 -1.23 0.00 0.00 174.94 174.66 1qwz s PHE 111 N 1.47 0.89 0.09 3.97 -0.12 -0.18 -1.18 117.98 122.92 1qwz s PHE 111 Ca 0.30 -0.57 -0.11 0.00 -0.05 0.00 0.00 56.93 56.50 1qwz s PHE 111 Cb -0.16 -0.51 -0.06 0.00 -0.63 0.00 0.00 43.02 41.66 1qwz s PHE 111 CO 0.12 -0.04 0.44 1.41 -0.05 0.00 0.00 175.22 177.09 1qwz s MET 112 N -2.10 3.82 0.30 1.99 -2.45 0.15 0.08 119.30 121.09 1qwz s MET 112 Ca -0.03 0.26 -0.29 0.00 -1.25 0.00 0.00 55.69 54.38 1qwz s MET 112 Cb -0.07 -2.98 -0.13 0.00 1.25 0.00 0.00 34.83 32.90 1qwz s MET 112 CO 0.00 0.54 1.26 -3.47 1.05 0.00 0.00 175.02 174.40 1qwz n ASP 113 N 0.89 2.41 0.30 1.11 -0.08 0.25 -4.54 116.55 116.89 1qwz n ASP 113 Ca -0.07 1.18 0.17 0.00 -1.51 0.00 0.00 54.79 54.55 1qwz n ASP 113 Cb 0.52 -1.42 0.96 0.00 2.34 0.00 0.00 41.12 43.53 1qwz n ASP 113 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1qwz h PHE 114 N 2.94 0.00 0.00 -0.67 -5.15 -1.80 -2.51 116.94 109.74 1qwz h PHE 114 Ca -0.44 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.28 1qwz h PHE 114 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.46 1qwz h PHE 114 CO 0.52 0.02 -0.23 0.00 -2.00 0.00 0.00 178.31 176.62 1qwz h ARG 115 N 0.00 0.00 -7.01 6.09 3.08 -1.91 -3.47 114.38 111.16 1qwz h ARG 115 Ca -0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1qwz h ARG 115 Cb 0.05 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.15 1qwz h ARG 115 CO 0.00 0.23 0.44 -0.80 -1.07 0.00 0.00 179.97 178.77 1qwz s ASN 116 N -6.23 6.33 0.20 7.04 0.01 -0.95 -5.06 114.94 116.29 1qwz s ASN 116 Ca 0.04 2.14 0.02 0.00 -0.71 0.00 0.00 52.86 54.35 1qwz s ASN 116 Cb 0.08 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 1qwz s ASN 116 CO 0.67 -0.80 0.35 -1.61 -1.51 0.00 0.00 177.10 174.20 1qwz s GLU 117 N -2.80 3.46 -0.18 -0.60 2.02 -1.26 -5.01 118.70 114.33 1qwz s GLU 117 Ca 0.63 -0.58 -0.08 0.00 0.02 0.00 0.00 54.97 54.97 1qwz s GLU 117 Cb -0.24 -2.89 -0.08 0.00 0.10 0.00 0.00 34.13 31.02 1qwz s GLU 117 CO 0.29 0.44 -0.23 1.28 0.02 0.00 0.00 175.26 177.06 1qwz n LEU 118 N -0.93 1.44 0.34 1.80 4.77 -1.26 -4.41 117.00 118.74 1qwz n LEU 118 Ca -0.07 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 55.93 1qwz n LEU 118 Cb 0.55 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 41.01 1qwz n LEU 118 CO 0.47 0.42 0.63 0.50 -1.33 0.00 0.00 177.39 178.08 1qwz h LYS 119 N -0.59 -0.87 -4.69 3.23 3.64 -1.97 -3.37 116.57 111.95 1qwz h LYS 119 Ca -0.46 0.06 -0.66 0.00 -1.27 0.00 0.00 60.65 58.32 1qwz h LYS 119 Cb 1.42 0.20 -0.39 0.00 -0.41 0.00 0.00 32.23 33.05 1qwz h LYS 119 CO -0.26 -0.58 -0.71 -0.80 -2.27 0.00 0.00 179.45 174.83 1qwz s ASN 120 N -4.42 4.78 0.46 4.20 -0.87 -1.26 -4.98 114.94 112.85 1qwz s ASN 120 Ca -0.18 -2.05 -0.24 0.00 -1.57 0.00 0.00 52.86 48.82 1qwz s ASN 120 Cb 0.04 -1.64 -0.08 0.00 -0.02 0.00 0.00 41.25 39.55 1qwz s ASN 120 CO 0.62 -0.37 1.21 0.18 -2.57 0.00 0.00 177.10 176.17 1qwz n LEU 121 N 4.30 4.02 -4.84 0.60 4.77 -1.26 -4.70 117.00 119.89 1qwz n LEU 121 Ca 0.01 1.04 -0.30 0.00 -0.03 0.00 0.00 56.01 56.73 1qwz n LEU 121 Cb 0.42 -1.48 0.20 0.00 -2.33 0.00 0.00 43.42 40.23 1qwz n LEU 121 CO 0.23 -0.91 0.81 0.20 -1.33 0.00 0.00 177.39 176.39 1qwz s ASN 122 N -0.71 2.61 0.19 -1.43 0.01 -1.26 -4.96 114.94 109.40 1qwz s ASN 122 Ca 0.65 0.39 -0.11 0.00 -0.71 0.00 0.00 52.86 53.07 1qwz s ASN 122 Cb -0.49 -0.50 0.15 0.00 0.41 0.00 0.00 41.25 40.82 1qwz s ASN 122 CO 0.55 -3.05 1.84 0.45 -1.51 0.00 0.00 177.10 175.38 1qwz h HIS 123 N -1.86 0.74 -3.36 2.20 3.86 -1.84 -3.40 115.15 111.50 1qwz h HIS 123 Ca -0.45 0.02 -0.56 0.00 -1.16 0.00 0.00 60.37 58.22 1qwz h HIS 123 Cb 1.25 -0.24 -0.38 0.00 1.06 0.00 0.00 27.41 29.10 1qwz h HIS 123 CO -1.33 0.43 -0.79 1.21 0.86 0.00 0.00 177.93 178.31 1qwz s ASN 124 N -5.70 2.96 -0.20 2.45 2.47 0.31 -0.74 114.94 116.48 1qwz s ASN 124 Ca -0.13 -0.73 -0.12 0.00 0.42 0.00 0.00 52.86 52.30 1qwz s ASN 124 Cb 0.14 -0.94 -0.05 0.00 -1.45 0.00 0.00 41.25 38.96 1qwz s ASN 124 CO 0.76 -0.19 0.23 -0.89 -3.72 0.00 0.00 177.10 173.28 1qwz s THR 125 N 1.61 5.33 -0.14 -5.21 2.01 -0.22 -4.50 115.64 114.52 1qwz s THR 125 Ca -0.00 0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 1qwz s THR 125 Cb -0.16 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 1qwz s THR 125 CO -0.08 0.37 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.49 1qwz s ILE 126 N 0.77 3.32 0.01 1.82 1.01 -1.26 0.36 121.20 127.22 1qwz s ILE 126 Ca 0.12 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.28 1qwz s ILE 126 Cb -0.13 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1qwz s ILE 126 CO 0.03 0.51 -0.23 -0.76 0.00 0.00 0.00 174.94 174.49 1qwz s LEU 127 N 0.45 2.32 0.18 2.97 1.43 0.25 -0.59 118.68 125.68 1qwz s LEU 127 Ca -0.08 -0.46 0.10 0.00 -1.03 0.00 0.00 54.13 52.66 1qwz s LEU 127 Cb -0.15 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1qwz s LEU 127 CO 0.04 0.29 -0.20 -0.31 0.23 0.00 0.00 176.35 176.40 1qwz s TYR 128 N -0.77 2.00 -0.05 0.29 1.51 0.11 -1.09 117.35 119.36 1qwz s TYR 128 Ca 0.12 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 1qwz s TYR 128 Cb -0.10 -0.99 0.11 0.00 -0.11 0.00 0.00 41.96 40.86 1qwz s TYR 128 CO 0.02 0.40 0.91 0.20 -1.11 0.00 0.00 175.55 175.96 1qwz s GLY 129 N -2.66 -0.42 0.63 0.71 0.00 -0.86 -1.02 107.32 103.70 1qwz s GLY 129 Ca 0.17 1.29 -0.15 0.00 0.00 0.00 0.00 44.72 46.04 1qwz s GLY 129 CO 0.08 0.54 1.08 0.30 0.00 0.00 0.00 173.10 175.10 1qwz s HIS 130 N -2.51 2.83 -0.40 1.90 3.76 -1.26 -0.39 115.29 119.22 1qwz s HIS 130 Ca 0.03 1.52 0.06 0.00 -0.15 0.00 0.00 55.06 56.52 1qwz s HIS 130 Cb -0.01 -3.07 0.20 0.00 1.11 0.00 0.00 32.58 30.82 1qwz s HIS 130 CO -0.05 -1.39 0.42 1.58 -0.85 0.00 0.00 174.74 174.45 1qwz n HIS 131 N -2.30 -0.68 1.12 1.40 -0.00 -1.26 -1.27 115.22 112.23 1qwz n HIS 131 Ca 0.09 -3.42 0.12 0.00 -0.00 0.00 0.00 57.72 54.52 1qwz n HIS 131 Cb 0.52 -0.00 0.23 0.00 -0.00 0.00 0.00 29.99 30.75 1qwz n HIS 131 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 1qwz n VAL 132 N 2.21 0.00 -1.76 3.57 0.24 -1.26 -4.98 118.33 116.36 1qwz n VAL 132 Ca 0.26 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 1qwz n VAL 132 Cb 0.50 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 1qwz n VAL 132 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qwz n GLY 133 N 1.41 0.66 0.34 7.63 0.00 -1.26 -4.96 105.19 109.00 1qwz n GLY 133 Ca 0.09 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.46 1qwz n GLY 133 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qwz n ASP 134 N 1.65 2.26 -3.55 1.61 5.75 -1.26 -4.98 116.55 118.03 1qwz n ASP 134 Ca 0.00 -3.37 -0.22 0.00 -0.01 0.00 0.00 54.79 51.19 1qwz n ASP 134 Cb 0.43 -0.48 0.08 0.00 -1.03 0.00 0.00 41.12 40.12 1qwz n ASP 134 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1qwz n ASN 135 N -1.26 -4.78 -4.12 -1.12 4.05 -1.26 -5.02 115.26 101.74 1qwz n ASN 135 Ca 0.18 -0.58 -0.09 0.00 0.45 0.00 0.00 54.58 54.55 1qwz n ASN 135 Cb 0.69 -5.02 -0.10 0.00 1.23 0.00 0.00 39.78 36.58 1qwz n ASN 135 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1qwz s THR 136 N -3.34 0.15 0.00 -0.44 -4.23 -1.26 -4.75 115.64 101.77 1qwz s THR 136 Ca 0.38 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1qwz s THR 136 Cb -0.17 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1qwz s THR 136 CO 0.73 -0.69 0.00 0.23 -0.54 0.00 0.00 174.62 174.35 1qwz n MET 137 N -0.01 0.00 -0.81 3.99 2.81 -1.26 -1.91 117.12 119.92 1qwz n MET 137 Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 1qwz n MET 137 Cb 0.63 0.00 0.30 0.00 -0.71 0.00 0.00 33.22 33.44 1qwz n MET 137 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1qwz n PHE 138 N 14.00 1.93 0.25 2.03 3.72 -0.39 -4.33 117.46 134.66 1qwz n PHE 138 Ca 0.00 -0.82 0.08 0.00 -0.05 0.00 0.00 57.45 56.66 1qwz n PHE 138 Cb 0.00 -0.53 0.63 0.00 -0.94 0.00 0.00 39.48 38.64 1qwz n PHE 138 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1qwz h ASP 139 N 2.83 0.00 0.09 4.37 3.32 -1.46 -1.96 116.42 123.61 1qwz h ASP 139 Ca 0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1qwz h ASP 139 Cb 1.92 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.47 1qwz h ASP 139 CO 0.52 0.08 -0.05 1.62 -1.72 0.00 0.00 179.24 179.69 1qwz h VAL 140 N 0.00 0.70 -0.39 -1.35 3.04 -1.83 -2.43 116.25 114.00 1qwz h VAL 140 Ca -0.00 -0.18 0.06 0.00 -1.01 0.00 0.00 66.70 65.57 1qwz h VAL 140 Cb 0.14 1.11 -0.02 0.00 -2.01 0.00 0.00 31.29 30.51 1qwz h VAL 140 CO 0.01 0.05 0.27 -0.07 -1.01 0.00 0.00 177.57 176.81 1qwz h LEU 141 N 0.00 0.23 -1.30 3.16 3.38 -1.69 -0.88 115.31 118.21 1qwz h LEU 141 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1qwz h LEU 141 Cb 0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1qwz h LEU 141 CO 0.01 0.15 0.04 -0.08 0.09 0.00 0.00 178.44 178.65 1qwz h GLU 142 N 0.26 0.51 0.00 1.13 4.81 -1.62 -2.26 114.58 117.42 1qwz h GLU 142 Ca 0.17 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1qwz h GLU 142 Cb 0.35 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1qwz h GLU 142 CO -0.03 0.51 -0.12 -0.44 -0.73 0.00 0.00 179.01 178.19 1qwz h ASP 143 N 0.50 0.00 0.39 1.04 3.45 -1.31 -2.30 116.42 118.19 1qwz h ASP 143 Ca 0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1qwz h ASP 143 Cb 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1qwz h ASP 143 CO 0.00 0.12 0.00 -1.22 -1.57 0.00 0.00 179.24 176.58 1qwz n TYR 144 N -3.79 0.00 1.19 4.55 4.02 -0.85 -2.39 117.16 119.90 1qwz n TYR 144 Ca -0.02 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.00 1qwz n TYR 144 Cb 0.22 -0.35 0.66 0.00 -0.02 0.00 0.00 39.34 39.86 1qwz n TYR 144 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1qwz n LEU 145 N -1.35 0.00 -4.59 7.72 4.77 -0.86 -4.67 117.00 118.01 1qwz n LEU 145 Ca 0.07 0.35 -0.35 0.00 -0.03 0.00 0.00 56.01 56.06 1qwz n LEU 145 Cb 0.15 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 40.78 1qwz n LEU 145 CO 0.14 -0.03 -0.27 -0.54 -1.33 0.00 0.00 177.39 175.36 1qwz s LYS 146 N -2.71 3.89 0.23 3.23 3.01 -1.00 -4.76 119.74 121.62 1qwz s LYS 146 Ca 0.22 -0.38 -0.07 0.00 -1.01 0.00 0.00 55.97 54.73 1qwz s LYS 146 Cb 0.18 -3.20 0.30 0.00 -1.01 0.00 0.00 37.83 34.11 1qwz s LYS 146 CO 0.45 0.20 1.82 0.37 0.51 0.00 0.00 175.35 178.70 1qwz h GLN 147 N 6.92 0.76 -0.57 1.68 5.75 -1.88 -2.10 115.11 125.67 1qwz h GLN 147 Ca -0.36 -0.05 0.06 0.00 -0.15 0.00 0.00 58.65 58.16 1qwz h GLN 147 Cb 1.17 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 29.50 1qwz h GLN 147 CO 0.67 0.50 0.27 0.77 -2.65 0.00 0.00 178.83 178.40 1qwz h SER 148 N 0.78 0.36 -0.19 -0.69 0.02 -1.94 -1.04 113.55 110.84 1qwz h SER 148 Ca 0.34 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.29 1qwz h SER 148 Cb 0.22 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1qwz h SER 148 CO -0.20 0.24 -0.05 0.15 -1.14 0.00 0.00 176.83 175.83 1qwz h PHE 149 N 0.51 0.42 -0.27 3.45 3.57 -1.73 -3.12 116.94 119.76 1qwz h PHE 149 Ca 0.27 -0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1qwz h PHE 149 Cb 0.23 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 1qwz h PHE 149 CO -0.12 0.63 -0.10 -0.92 -2.23 0.00 0.00 178.31 175.58 1qwz h TYR 150 N 0.08 -0.23 -0.87 0.41 3.20 -0.99 -1.62 116.97 116.94 1qwz h TYR 150 Ca 0.05 0.03 0.20 0.00 3.14 0.00 0.00 58.73 62.14 1qwz h TYR 150 Cb 0.50 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.86 1qwz h TYR 150 CO 0.05 -0.16 0.58 0.93 -1.64 0.00 0.00 178.16 177.92 1qwz h GLU 151 N -0.05 0.36 -0.13 1.82 4.39 -1.19 0.17 114.58 119.96 1qwz h GLU 151 Ca 0.14 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1qwz h GLU 151 Cb 0.26 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1qwz h GLU 151 CO -0.30 0.24 0.00 1.63 -1.16 0.00 0.00 179.01 179.42 1qwz n LYS 152 N -4.49 2.09 -2.75 2.33 5.02 -0.72 -4.32 118.16 115.33 1qwz n LYS 152 Ca 0.18 -1.61 -0.04 0.00 -2.02 0.00 0.00 58.31 54.82 1qwz n LYS 152 Cb 0.68 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 34.27 1qwz n LYS 152 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1qwz n HIS 153 N 0.89 0.91 0.25 2.13 8.25 -0.01 -4.93 115.22 122.71 1qwz n HIS 153 Ca 0.17 -2.41 0.14 0.00 -0.26 0.00 0.00 57.72 55.36 1qwz n HIS 153 Cb 0.49 -0.14 0.62 0.00 1.12 0.00 0.00 29.99 32.07 1qwz n HIS 153 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1qwz h LYS 154 N 2.69 0.00 -5.27 -0.41 1.57 -1.58 -3.43 116.57 110.14 1qwz h LYS 154 Ca -0.14 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.97 1qwz h LYS 154 Cb 1.23 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.23 1qwz h LYS 154 CO 0.30 0.12 -0.84 0.42 -0.57 0.00 0.00 179.45 178.88 1qwz s ILE 155 N -3.77 2.39 -0.04 1.86 -1.09 -1.26 -1.74 121.20 117.55 1qwz s ILE 155 Ca -0.00 -0.88 0.05 0.00 -2.23 0.00 0.00 60.65 57.59 1qwz s ILE 155 Cb 0.10 -1.97 -0.02 0.00 -1.58 0.00 0.00 42.46 38.99 1qwz s ILE 155 CO 0.58 0.54 -0.18 -0.63 -1.23 0.00 0.00 174.94 174.03 1qwz s ILE 156 N 0.57 2.77 0.03 2.92 1.01 -0.64 -4.80 121.20 123.07 1qwz s ILE 156 Ca -0.11 -0.84 -0.23 0.00 0.00 0.00 0.00 60.65 59.47 1qwz s ILE 156 Cb -0.16 -2.06 -0.06 0.00 0.01 0.00 0.00 42.46 40.19 1qwz s ILE 156 CO 0.04 0.58 0.68 -1.61 0.00 0.00 0.00 174.94 174.63 1qwz s GLU 157 N -0.71 4.41 -0.04 2.79 2.02 0.29 0.25 118.70 127.70 1qwz s GLU 157 Ca 0.11 0.91 -0.02 0.00 0.02 0.00 0.00 54.97 55.99 1qwz s GLU 157 Cb -0.10 -3.35 0.03 0.00 0.10 0.00 0.00 34.13 30.81 1qwz s GLU 157 CO 0.00 0.34 0.06 0.12 0.02 0.00 0.00 175.26 175.81 1qwz s PHE 158 N -0.18 0.05 0.18 1.61 5.36 -0.55 -1.33 117.98 123.12 1qwz s PHE 158 Ca 0.35 0.27 0.09 0.00 -0.96 0.00 0.00 56.93 56.67 1qwz s PHE 158 Cb -0.19 -0.48 -0.04 0.00 -0.34 0.00 0.00 43.02 41.97 1qwz s PHE 158 CO 0.20 -0.19 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.07 1qwz s ASP 159 N 2.17 2.81 0.32 6.13 1.01 -0.56 -0.01 116.67 128.54 1qwz s ASP 159 Ca 0.05 -0.89 -0.08 0.00 0.71 0.00 0.00 52.55 52.33 1qwz s ASP 159 Cb -0.12 -0.17 0.01 0.00 1.01 0.00 0.00 42.92 43.65 1qwz s ASP 159 CO -0.03 -0.03 0.55 0.54 0.21 0.00 0.00 175.17 176.41 1qwz s ASN 160 N -2.80 0.42 0.66 0.27 2.20 -0.63 -0.91 114.94 114.15 1qwz s ASN 160 Ca 0.18 -1.24 0.43 0.00 -0.94 0.00 0.00 52.86 51.29 1qwz s ASN 160 Cb -0.05 0.68 2.32 0.00 -2.00 0.00 0.00 41.25 42.20 1qwz s ASN 160 CO 0.08 -1.34 2.34 0.50 -2.94 0.00 0.00 177.10 175.73 1qwz h LYS 161 N 2.12 0.00 -0.19 3.55 3.64 -1.83 -2.70 116.57 121.17 1qwz h LYS 161 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1qwz h LYS 161 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1qwz h LYS 161 CO 0.38 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 178.22 1qwz n TYR 162 N -3.11 0.23 0.00 1.91 4.02 -1.26 -3.73 117.16 115.22 1qwz n TYR 162 Ca -0.03 -0.14 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1qwz n TYR 162 Cb 0.09 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 1qwz n TYR 162 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qwz n GLY 163 N 1.12 1.63 3.38 2.72 0.00 -1.02 -5.06 105.19 107.97 1qwz n GLY 163 Ca 0.14 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1qwz n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qwz s LYS 164 N -2.00 3.45 0.27 1.61 1.02 -1.13 -1.61 119.74 121.35 1qwz s LYS 164 Ca 0.00 -0.62 0.04 0.00 0.02 0.00 0.00 55.97 55.41 1qwz s LYS 164 Cb 0.00 -2.83 -0.06 0.00 -0.52 0.00 0.00 37.83 34.42 1qwz s LYS 164 CO 0.00 0.08 0.00 0.71 -0.92 0.00 0.00 175.35 175.22 1qwz s TYR 165 N 0.74 1.75 0.02 3.18 1.51 0.98 -0.39 117.35 125.14 1qwz s TYR 165 Ca -0.03 -0.89 0.07 0.00 -1.01 0.00 0.00 57.07 55.20 1qwz s TYR 165 Cb -0.15 -1.05 -0.02 0.00 -0.11 0.00 0.00 41.96 40.63 1qwz s TYR 165 CO 0.02 0.03 -0.20 -0.65 -1.11 0.00 0.00 175.55 173.64 1qwz s GLN 166 N -3.85 1.46 -0.28 -0.62 -0.21 0.21 -1.49 119.66 114.89 1qwz s GLN 166 Ca 0.31 -0.81 -0.06 0.00 0.02 0.00 0.00 55.36 54.81 1qwz s GLN 166 Cb 0.06 -1.49 0.00 0.00 1.00 0.00 0.00 33.01 32.58 1qwz s GLN 166 CO 0.11 0.39 0.06 -0.51 -2.12 0.00 0.00 175.29 173.23 1qwz s LEU 167 N -0.83 3.67 -0.72 2.90 1.43 0.14 -0.76 118.68 124.51 1qwz s LEU 167 Ca 0.07 -0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 52.39 1qwz s LEU 167 Cb -0.08 -1.87 0.13 0.00 0.03 0.00 0.00 46.19 44.40 1qwz s LEU 167 CO 0.01 -0.15 0.82 -1.58 0.23 0.00 0.00 176.35 175.68 1qwz s GLN 168 N 1.51 3.28 0.22 1.70 0.74 0.57 -1.62 119.66 126.06 1qwz s GLN 168 Ca 0.03 -1.63 -0.32 0.00 0.05 0.00 0.00 55.36 53.49 1qwz s GLN 168 Cb -0.17 -4.44 -0.13 0.00 1.10 0.00 0.00 33.01 29.37 1qwz s GLN 168 CO 0.02 -1.55 1.54 0.28 -0.55 0.00 0.00 175.29 175.03 1qwz n VAL 169 N 5.23 0.52 -0.59 1.34 0.31 -0.71 -0.76 118.33 123.67 1qwz n VAL 169 Ca 0.03 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1qwz n VAL 169 Cb 0.45 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 1qwz n VAL 169 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1qwz n PHE 170 N 2.74 0.00 -3.65 3.52 1.16 -0.43 -4.88 117.46 115.91 1qwz n PHE 170 Ca 0.13 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.57 1qwz n PHE 170 Cb 0.32 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.11 1qwz n PHE 170 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1qwz s SER 171 N -0.05 -0.64 -0.13 5.98 0.15 -1.05 -4.56 113.70 113.41 1qwz s SER 171 Ca 0.00 1.18 -0.06 0.00 0.70 0.00 0.00 55.95 57.77 1qwz s SER 171 Cb 0.00 1.19 0.05 0.00 -1.71 0.00 0.00 66.02 65.55 1qwz s SER 171 CO 0.00 -0.26 0.30 0.00 1.20 0.00 0.00 173.24 174.48 1qwz s ALA 172 N 0.15 -0.72 0.25 5.45 0.00 -1.26 -0.54 121.76 125.10 1qwz s ALA 172 Ca -0.01 1.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.91 1qwz s ALA 172 Cb -0.04 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.33 1qwz s ALA 172 CO 0.02 -0.27 0.67 1.52 0.00 0.00 0.00 175.76 177.70 1qwz s TYR 173 N 1.44 -0.22 -0.06 0.00 -0.85 -0.07 -0.97 117.35 116.62 1qwz s TYR 173 Ca -0.08 -0.18 0.02 0.00 -0.52 0.00 0.00 57.07 56.31 1qwz s TYR 173 Cb -0.10 0.63 -0.03 0.00 0.38 0.00 0.00 41.96 42.84 1qwz s TYR 173 CO -0.10 -1.13 -0.10 0.15 -1.52 0.00 0.00 175.55 172.84 1qwz s LYS 174 N -3.89 2.62 0.00 -3.49 1.02 -1.26 -0.19 119.74 114.55 1qwz s LYS 174 Ca 0.10 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.46 1qwz s LYS 174 Cb -0.04 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1qwz s LYS 174 CO 0.03 0.64 0.00 -2.37 -0.92 0.00 0.00 175.35 172.73 1qwz n THR 175 N 2.24 0.00 -2.68 2.17 5.66 0.43 -4.96 114.28 117.13 1qwz n THR 175 Ca -0.17 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.60 1qwz n THR 175 Cb 0.53 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.38 1qwz n THR 175 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1qwz s THR 176 N -1.51 2.30 -2.54 1.09 -4.23 -1.26 -0.84 115.64 108.65 1qwz s THR 176 Ca 0.00 -0.69 0.26 0.00 -1.18 0.00 0.00 61.69 60.08 1qwz s THR 176 Cb 0.00 -2.61 0.47 0.00 1.34 0.00 0.00 72.50 71.70 1qwz s THR 176 CO 0.00 0.00 1.61 0.35 -0.54 0.00 0.00 174.62 176.04 1qwz n THR 177 N -2.58 0.07 0.06 3.99 -2.24 -0.96 -3.73 114.28 108.87 1qwz n THR 177 Ca 0.13 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 1qwz n THR 177 Cb 0.60 0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 1qwz n THR 177 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1qwz h LYS 178 N 2.84 0.00 -4.55 -0.78 1.79 -1.94 -3.39 116.57 110.54 1qwz h LYS 178 Ca 0.00 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.83 1qwz h LYS 178 Cb 0.61 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.32 1qwz h LYS 178 CO 0.00 0.77 2.17 -3.47 -1.08 0.00 0.00 179.45 177.84 1qwz n ASP 179 N -3.24 2.30 -0.68 0.86 -0.08 -1.24 -4.64 116.55 109.82 1qwz n ASP 179 Ca -0.03 -2.65 0.13 0.00 -1.51 0.00 0.00 54.79 50.72 1qwz n ASP 179 Cb 0.92 -1.02 0.30 0.00 2.34 0.00 0.00 41.12 43.65 1qwz n ASP 179 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1qwz n ASN 180 N 7.68 2.17 -4.16 1.67 3.02 -1.26 -4.82 115.26 119.56 1qwz n ASN 180 Ca 0.49 -1.69 -0.35 0.00 -0.03 0.00 0.00 54.58 53.00 1qwz n ASN 180 Cb 0.41 0.03 -0.13 0.00 -0.61 0.00 0.00 39.78 39.48 1qwz n ASN 180 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1qwz s TYR 181 N -2.06 3.36 -0.13 3.10 5.04 -1.26 -5.08 117.35 120.33 1qwz s TYR 181 Ca 0.32 -2.00 -0.01 0.00 -2.44 0.00 0.00 57.07 52.93 1qwz s TYR 181 Cb 0.20 -2.44 -0.02 0.00 0.35 0.00 0.00 41.96 40.06 1qwz s TYR 181 CO 0.34 -0.84 -0.10 0.42 -1.34 0.00 0.00 175.55 174.03 1qwz s ILE 182 N 1.23 3.35 0.25 3.14 1.01 -1.26 -5.10 121.20 123.82 1qwz s ILE 182 Ca -0.01 -0.56 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 1qwz s ILE 182 Cb -0.20 -2.42 -0.09 0.00 0.01 0.00 0.00 42.46 39.75 1qwz s ILE 182 CO -0.02 0.52 1.06 -0.13 0.00 0.00 0.00 174.94 176.38 1qwz s ARG 183 N 0.22 4.68 -0.08 2.79 0.52 -1.26 -4.94 118.95 120.89 1qwz s ARG 183 Ca -0.06 1.72 0.19 0.00 -0.52 0.00 0.00 55.73 57.06 1qwz s ARG 183 Cb -0.15 -3.22 -0.25 0.00 0.52 0.00 0.00 34.95 31.85 1qwz s ARG 183 CO 0.04 0.26 0.40 0.25 0.02 0.00 0.00 175.30 176.27 1qwz n THR 184 N 1.46 0.93 -3.94 0.02 -2.24 -1.26 -4.68 114.28 104.57 1qwz n THR 184 Ca -0.01 -0.71 -0.09 0.00 -2.27 0.00 0.00 64.05 60.98 1qwz n THR 184 Cb 0.45 -0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.20 1qwz n THR 184 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1qwz s ASP 185 N -5.29 0.20 0.22 3.42 1.01 -1.26 -0.53 116.67 114.44 1qwz s ASP 185 Ca -0.07 -0.79 0.11 0.00 0.71 0.00 0.00 52.55 52.51 1qwz s ASP 185 Cb 0.09 0.32 -0.05 0.00 1.01 0.00 0.00 42.92 44.30 1qwz s ASP 185 CO 0.85 -0.72 -0.21 -0.36 0.21 0.00 0.00 175.17 174.93 1qwz s PHE 186 N -3.90 2.20 0.29 4.23 0.40 -1.26 -5.04 117.98 114.91 1qwz s PHE 186 Ca 0.08 -0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 56.03 1qwz s PHE 186 Cb 0.05 -1.04 0.48 0.00 0.51 0.00 0.00 43.02 43.03 1qwz s PHE 186 CO -0.09 0.54 1.92 0.93 0.70 0.00 0.00 175.22 179.22 1qwz h GLU 187 N 2.88 1.05 -3.04 0.44 5.08 -2.02 -3.46 114.58 115.51 1qwz h GLU 187 Ca -0.43 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1qwz h GLU 187 Cb 1.22 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1qwz h GLU 187 CO 0.53 0.70 0.23 0.54 -1.00 0.00 0.00 179.01 180.01 1qwz s ASN 188 N -6.05 -0.10 0.41 1.42 2.20 -1.26 -5.04 114.94 106.52 1qwz s ASN 188 Ca -0.12 -0.91 0.08 0.00 -0.94 0.00 0.00 52.86 50.98 1qwz s ASN 188 Cb 0.19 0.79 0.88 0.00 -2.00 0.00 0.00 41.25 41.11 1qwz s ASN 188 CO 0.80 -1.51 2.04 0.44 -2.94 0.00 0.00 177.10 175.93 1qwz h ASP 189 N 2.01 0.40 -0.51 3.54 3.45 -1.99 -2.37 116.42 120.95 1qwz h ASP 189 Ca -0.26 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.18 1qwz h ASP 189 Cb 1.25 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.89 1qwz h ASP 189 CO 0.32 0.32 0.31 1.56 -1.57 0.00 0.00 179.24 180.19 1qwz h GLN 190 N 0.46 0.69 -0.31 3.56 7.50 -1.98 0.35 115.11 125.38 1qwz h GLN 190 Ca 0.12 -0.06 -0.14 0.00 0.50 0.00 0.00 58.65 59.06 1qwz h GLN 190 Cb 0.01 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.39 1qwz h GLN 190 CO -0.02 0.51 -0.38 -0.44 -1.50 0.00 0.00 178.83 176.99 1qwz h ASP 191 N 0.68 0.79 -0.38 1.46 3.45 -1.89 -0.69 116.42 119.85 1qwz h ASP 191 Ca 0.18 -0.35 -0.09 0.00 0.43 0.00 0.00 57.03 57.20 1qwz h ASP 191 Cb -0.01 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.53 1qwz h ASP 191 CO -0.03 1.08 -0.12 0.22 -1.57 0.00 0.00 179.24 178.81 1qwz h TYR 192 N 0.61 0.85 -0.97 4.55 3.20 -1.15 -1.14 116.97 122.93 1qwz h TYR 192 Ca 0.05 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.73 1qwz h TYR 192 Cb 0.93 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.95 1qwz h TYR 192 CO 0.05 0.91 0.60 0.37 -1.64 0.00 0.00 178.16 178.45 1qwz h GLN 193 N 0.55 1.30 -0.72 1.82 5.75 -0.16 -0.60 115.11 123.06 1qwz h GLN 193 Ca 0.09 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 1qwz h GLN 193 Cb 0.65 -0.28 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 1qwz h GLN 193 CO 0.04 0.89 0.25 1.96 -2.65 0.00 0.00 178.83 179.32 1qwz h GLN 194 N 1.33 1.10 -0.29 1.69 4.20 -0.84 -0.32 115.11 121.97 1qwz h GLN 194 Ca 0.35 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 1qwz h GLN 194 Cb -0.09 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 1qwz h GLN 194 CO -0.07 0.92 0.08 0.35 -0.67 0.00 0.00 178.83 179.44 1qwz h PHE 195 N 1.06 0.48 -0.29 2.96 3.57 -0.37 0.13 116.94 124.49 1qwz h PHE 195 Ca 0.24 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1qwz h PHE 195 Cb 0.26 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1qwz h PHE 195 CO 0.02 0.52 0.14 -0.07 -2.23 0.00 0.00 178.31 176.69 1qwz h LEU 196 N 0.30 0.38 -0.57 0.59 3.38 -0.90 0.94 115.31 119.43 1qwz h LEU 196 Ca 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1qwz h LEU 196 Cb 0.28 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1qwz h LEU 196 CO -0.00 0.39 0.36 0.44 0.09 0.00 0.00 178.44 179.72 1qwz h ASP 197 N 0.34 0.66 -0.61 -0.43 3.32 -0.91 -1.69 116.42 117.09 1qwz h ASP 197 Ca 0.10 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1qwz h ASP 197 Cb 0.11 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1qwz h ASP 197 CO -0.01 0.50 0.14 -0.08 -1.72 0.00 0.00 179.24 178.07 1qwz h GLU 198 N 0.76 1.02 -0.54 3.56 4.57 -0.48 -0.35 114.58 123.13 1qwz h GLU 198 Ca 0.21 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1qwz h GLU 198 Cb -0.06 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.37 1qwz h GLU 198 CO -0.04 0.91 0.25 1.15 -1.18 0.00 0.00 179.01 180.10 1qwz h THR 199 N 0.97 1.21 -0.25 0.32 2.02 -0.38 -0.85 112.91 115.94 1qwz h THR 199 Ca 0.20 -0.60 -0.16 0.00 0.77 0.00 0.00 66.41 66.62 1qwz h THR 199 Cb 0.36 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1qwz h THR 199 CO 0.00 0.23 -0.50 0.11 0.37 0.00 0.00 175.52 175.74 1qwz h LYS 200 N 0.73 0.69 -0.87 6.66 1.57 -1.09 -2.84 116.57 121.41 1qwz h LYS 200 Ca 0.18 -0.41 0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1qwz h LYS 200 Cb 0.14 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1qwz h LYS 200 CO -0.02 1.02 0.57 -0.09 -0.57 0.00 0.00 179.45 180.36 1qwz h ARG 201 N 0.54 1.09 0.00 3.15 1.12 -0.67 -2.62 114.38 116.99 1qwz h ARG 201 Ca 0.02 -0.07 -0.04 0.00 -1.11 0.00 0.00 59.98 58.79 1qwz h ARG 201 Cb 1.06 -0.25 -0.01 0.00 -0.01 0.00 0.00 29.97 30.77 1qwz h ARG 201 CO 0.10 0.72 -0.19 0.87 -3.11 0.00 0.00 179.97 178.37 1qwz h LYS 202 N 1.13 0.00 -6.57 0.20 1.57 -1.10 -3.46 116.57 108.33 1qwz h LYS 202 Ca 0.33 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.53 1qwz h LYS 202 Cb -0.06 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.33 1qwz h LYS 202 CO -0.09 0.19 0.68 0.45 -0.57 0.00 0.00 179.45 180.11 1qwz n SER 203 N -3.22 2.90 -0.44 0.86 2.88 -0.99 -4.71 113.62 110.91 1qwz n SER 203 Ca 0.02 1.12 0.13 0.00 -1.33 0.00 0.00 58.87 58.81 1qwz n SER 203 Cb 0.51 -1.43 0.41 0.00 -0.75 0.00 0.00 64.21 62.94 1qwz n SER 203 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1qwz n VAL 204 N 2.41 0.00 -4.45 2.46 0.24 -0.14 -4.84 118.33 114.01 1qwz n VAL 204 Ca 0.13 -0.23 -0.27 0.00 -2.04 0.00 0.00 64.34 61.93 1qwz n VAL 204 Cb 0.31 0.59 -0.13 0.00 -1.47 0.00 0.00 33.84 33.13 1qwz n VAL 204 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1qwz s ILE 205 N -2.21 2.00 -0.10 1.34 -4.36 -1.26 -4.85 121.20 111.76 1qwz s ILE 205 Ca 0.31 -1.58 -0.15 0.00 -0.26 0.00 0.00 60.65 58.97 1qwz s ILE 205 Cb 0.20 -1.77 -0.05 0.00 1.25 0.00 0.00 42.46 42.09 1qwz s ILE 205 CO 0.41 0.09 0.39 0.20 0.24 0.00 0.00 174.94 176.27 1qwz s ASN 206 N -1.80 6.63 0.08 4.36 0.01 -1.26 -4.80 114.94 118.16 1qwz s ASN 206 Ca 0.11 0.75 0.06 0.00 -0.71 0.00 0.00 52.86 53.07 1qwz s ASN 206 Cb -0.10 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.29 1qwz s ASN 206 CO 0.04 0.14 -0.17 -0.55 -1.51 0.00 0.00 177.10 175.05 1qwz s SER 207 N 0.05 1.99 -0.20 -1.22 0.15 -1.26 -5.03 113.70 108.18 1qwz s SER 207 Ca 0.22 -0.64 0.16 0.00 0.70 0.00 0.00 55.95 56.38 1qwz s SER 207 Cb -0.15 -0.08 0.59 0.00 -1.71 0.00 0.00 66.02 64.68 1qwz s SER 207 CO 0.09 -0.03 1.50 -0.67 1.20 0.00 0.00 173.24 175.33 1qwz n ASP 208 N 1.21 4.23 -4.70 5.45 2.03 -1.26 -4.99 116.55 118.51 1qwz n ASP 208 Ca -0.21 -3.04 -0.42 0.00 0.52 0.00 0.00 54.79 51.64 1qwz n ASP 208 Cb 0.54 -0.58 -0.03 0.00 -0.72 0.00 0.00 41.12 40.32 1qwz n ASP 208 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1qwz s VAL 209 N -2.85 4.85 -0.36 5.18 1.01 -1.26 -5.02 120.40 121.96 1qwz s VAL 209 Ca 0.45 2.02 -0.21 0.00 0.00 0.00 0.00 61.98 64.24 1qwz s VAL 209 Cb 0.36 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1qwz s VAL 209 CO 0.10 0.12 0.66 0.20 0.00 0.00 0.00 175.10 176.17 1qwz s ASN 210 N 1.03 6.44 -0.12 3.32 0.01 -1.26 -5.03 114.94 119.33 1qwz s ASN 210 Ca 0.50 0.17 0.03 0.00 -0.71 0.00 0.00 52.86 52.85 1qwz s ASN 210 Cb -0.20 -2.34 0.01 0.00 0.41 0.00 0.00 41.25 39.13 1qwz s ASN 210 CO 0.24 -0.61 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.33 1qwz s VAL 211 N 2.76 1.86 0.46 1.60 1.01 -1.26 -5.09 120.40 121.73 1qwz s VAL 211 Ca 0.25 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1qwz s VAL 211 Cb -0.14 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 1qwz s VAL 211 CO 0.15 0.51 0.03 0.42 0.00 0.00 0.00 175.10 176.21 1qwz s THR 212 N 0.77 1.64 -0.79 3.92 -4.23 -1.26 -5.01 115.64 110.67 1qwz s THR 212 Ca -0.09 -1.97 0.15 0.00 -1.18 0.00 0.00 61.69 58.59 1qwz s THR 212 Cb -0.16 -2.61 0.14 0.00 1.34 0.00 0.00 72.50 71.21 1qwz s THR 212 CO 0.00 0.00 1.45 1.33 -0.54 0.00 0.00 174.62 176.87 1qwz n VAL 213 N -1.13 1.16 0.77 2.29 0.24 -1.26 -1.36 118.33 119.04 1qwz n VAL 213 Ca -0.11 0.34 0.13 0.00 -2.04 0.00 0.00 64.34 62.66 1qwz n VAL 213 Cb 0.67 -1.21 0.33 0.00 -1.47 0.00 0.00 33.84 32.16 1qwz n VAL 213 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1qwz n LYS 214 N -1.76 0.16 -2.59 7.34 5.02 -1.26 -4.90 118.16 120.17 1qwz n LYS 214 Ca 0.02 0.08 -0.24 0.00 -2.02 0.00 0.00 58.31 56.15 1qwz n LYS 214 Cb 0.14 -1.63 0.04 0.00 -0.02 0.00 0.00 35.03 33.55 1qwz n LYS 214 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qwz s ASP 215 N -3.75 5.38 0.07 4.39 -0.00 -0.47 -5.11 116.67 117.18 1qwz s ASP 215 Ca 0.10 0.29 0.08 0.00 -0.00 0.00 0.00 52.55 53.02 1qwz s ASP 215 Cb 0.15 -1.24 -0.04 0.00 -0.00 0.00 0.00 42.92 41.80 1qwz s ASP 215 CO 0.65 -1.11 -0.20 -0.13 -0.00 0.00 0.00 175.17 174.38 1qwz s ARG 216 N -4.85 1.90 0.24 8.23 0.52 -1.26 -4.93 118.95 118.79 1qwz s ARG 216 Ca 0.55 -1.09 0.06 0.00 -0.52 0.00 0.00 55.73 54.73 1qwz s ARG 216 Cb -0.10 -2.12 -0.05 0.00 0.52 0.00 0.00 34.95 33.19 1qwz s ARG 216 CO 0.41 0.51 -0.07 0.96 0.02 0.00 0.00 175.30 177.12 1qwz s ILE 217 N -1.00 1.50 -0.06 1.52 -4.36 0.08 -1.03 121.20 117.84 1qwz s ILE 217 Ca 0.15 -2.12 0.03 0.00 -0.26 0.00 0.00 60.65 58.45 1qwz s ILE 217 Cb -0.10 -2.26 0.01 0.00 1.25 0.00 0.00 42.46 41.35 1qwz s ILE 217 CO 0.07 -0.43 -0.16 -0.32 0.24 0.00 0.00 174.94 174.35 1qwz s MET 218 N -3.74 1.93 -0.16 0.37 -2.45 0.14 -1.05 119.30 114.34 1qwz s MET 218 Ca 0.26 -0.54 -0.05 0.00 -1.25 0.00 0.00 55.69 54.11 1qwz s MET 218 Cb 0.03 -1.58 -0.03 0.00 1.25 0.00 0.00 34.83 34.49 1qwz s MET 218 CO 0.09 0.12 -0.01 0.99 1.05 0.00 0.00 175.02 177.26 1qwz s THR 219 N 0.41 4.16 -0.20 10.11 2.01 0.16 -0.90 115.64 131.38 1qwz s THR 219 Ca -0.12 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.59 1qwz s THR 219 Cb -0.15 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.52 1qwz s THR 219 CO 0.04 0.49 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.64 1qwz s LEU 220 N 0.30 2.84 -0.01 4.42 1.43 0.60 -0.58 118.68 127.67 1qwz s LEU 220 Ca -0.01 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1qwz s LEU 220 Cb -0.14 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 1qwz s LEU 220 CO 0.02 0.01 -0.10 -0.55 0.23 0.00 0.00 176.35 175.96 1qwz s SER 221 N 1.27 1.25 0.61 2.29 0.15 -0.25 -0.97 113.70 118.04 1qwz s SER 221 Ca 0.03 -0.19 -0.16 0.00 0.70 0.00 0.00 55.95 56.33 1qwz s SER 221 Cb -0.14 -0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 63.93 1qwz s SER 221 CO -0.02 0.11 1.10 0.42 1.20 0.00 0.00 173.24 176.04 1qwz s THR 222 N -0.09 3.37 -0.03 6.45 -4.23 -0.84 -2.04 115.64 118.23 1qwz s THR 222 Ca 0.02 0.69 -0.03 0.00 -1.18 0.00 0.00 61.69 61.19 1qwz s THR 222 Cb -0.06 -3.21 0.01 0.00 1.34 0.00 0.00 72.50 70.58 1qwz s THR 222 CO -0.00 -0.34 0.08 0.00 -0.54 0.00 0.00 174.62 173.82 1qwz s GLU 224 N 0.22 2.30 0.82 0.00 1.03 -1.26 -4.10 118.70 117.71 1qwz s GLU 224 Ca -0.01 -1.73 -0.10 0.00 0.03 0.00 0.00 54.97 53.15 1qwz s GLU 224 Cb -0.02 -2.09 0.09 0.00 -0.80 0.00 0.00 34.13 31.31 1qwz s GLU 224 CO -0.01 -0.08 1.10 -0.51 -1.33 0.00 0.00 175.26 174.44 1qwz s ASP 225 N -3.93 3.99 0.38 0.83 1.01 -1.26 -4.96 116.67 112.73 1qwz s ASP 225 Ca 0.41 1.89 -0.27 0.00 0.71 0.00 0.00 52.55 55.30 1qwz s ASP 225 Cb 0.01 -2.51 -0.09 0.00 1.01 0.00 0.00 42.92 41.34 1qwz s ASP 225 CO 0.23 -2.38 1.32 0.00 0.21 0.00 0.00 175.17 174.56 1qwz s ALA 226 N -2.84 3.35 -1.40 5.23 0.00 -1.26 -2.96 121.76 121.89 1qwz s ALA 226 Ca 0.63 1.27 -0.03 0.00 0.00 0.00 0.00 51.96 53.82 1qwz s ALA 226 Cb -0.19 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.46 1qwz s ALA 226 CO 0.57 -0.79 0.67 0.66 0.00 0.00 0.00 175.76 176.87 1qwz n TYR 227 N 0.35 -1.89 -3.10 0.00 4.01 -1.26 -4.98 117.16 110.29 1qwz n TYR 227 Ca 0.02 0.82 -0.21 0.00 -0.16 0.00 0.00 57.90 58.37 1qwz n TYR 227 Cb 0.43 -4.05 0.01 0.00 -0.31 0.00 0.00 39.34 35.41 1qwz n TYR 227 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1qwz s SER 228 N -4.13 5.80 0.08 7.72 0.15 -1.15 -5.03 113.70 117.13 1qwz s SER 228 Ca 0.15 0.05 0.23 0.00 0.70 0.00 0.00 55.95 57.09 1qwz s SER 228 Cb -0.08 -1.30 0.10 0.00 -1.71 0.00 0.00 66.02 63.03 1qwz s SER 228 CO 0.84 -0.67 1.08 -0.62 1.20 0.00 0.00 173.24 175.07 1qwz n GLU 229 N -1.96 0.34 -1.66 5.44 -0.58 -1.26 -4.93 120.64 116.03 1qwz n GLU 229 Ca 0.02 0.02 -0.45 0.00 -0.42 0.00 0.00 57.16 56.33 1qwz n GLU 229 Cb 0.58 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.79 1qwz n GLU 229 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1qwz n THR 230 N -2.08 0.94 0.09 2.62 -2.24 -1.26 -4.89 114.28 107.45 1qwz n THR 230 Ca 0.02 -0.23 0.03 0.00 -2.27 0.00 0.00 64.05 61.60 1qwz n THR 230 Cb 0.45 -1.40 -0.05 0.00 -2.10 0.00 0.00 70.33 67.23 1qwz n THR 230 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qwz n THR 231 N 1.87 0.00 -4.31 4.28 -2.24 -1.26 -4.86 114.28 107.76 1qwz n THR 231 Ca 0.12 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.40 1qwz n THR 231 Cb 0.31 0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.95 1qwz n THR 231 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qwz s LYS 232 N -2.25 1.78 0.06 -0.78 3.01 -1.26 -2.27 119.74 118.03 1qwz s LYS 232 Ca -0.01 -1.23 0.07 0.00 -1.01 0.00 0.00 55.97 53.79 1qwz s LYS 232 Cb 0.05 -2.09 -0.03 0.00 -1.01 0.00 0.00 37.83 34.75 1qwz s LYS 232 CO 0.29 0.47 -0.19 1.03 0.51 0.00 0.00 175.35 177.46 1qwz s ARG 233 N -2.26 1.18 -0.14 1.68 0.52 -0.02 -4.80 118.95 115.11 1qwz s ARG 233 Ca 0.19 -0.96 -0.03 0.00 -0.52 0.00 0.00 55.73 54.41 1qwz s ARG 233 Cb -0.10 -1.30 -0.03 0.00 0.52 0.00 0.00 34.95 34.04 1qwz s ARG 233 CO 0.10 0.32 -0.04 0.42 0.02 0.00 0.00 175.30 176.12 1qwz s ILE 234 N -0.94 3.88 -0.05 1.52 1.01 -1.26 -0.43 121.20 124.93 1qwz s ILE 234 Ca 0.05 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.38 1qwz s ILE 234 Cb -0.09 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 1qwz s ILE 234 CO 0.02 0.52 -0.22 -0.69 0.00 0.00 0.00 174.94 174.58 1qwz s VAL 235 N 0.07 1.79 -0.08 2.92 1.01 0.73 -1.98 120.40 124.87 1qwz s VAL 235 Ca -0.00 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1qwz s VAL 235 Cb -0.13 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.73 1qwz s VAL 235 CO 0.03 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 174.82 1qwz s VAL 236 N -0.07 1.17 -0.04 2.92 1.01 -0.15 -0.90 120.40 124.36 1qwz s VAL 236 Ca -0.04 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1qwz s VAL 236 Cb -0.13 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 1qwz s VAL 236 CO 0.03 0.37 -0.22 -0.69 0.00 0.00 0.00 175.10 174.59 1qwz s VAL 237 N 0.91 2.35 0.09 2.92 1.01 0.30 -0.29 120.40 127.69 1qwz s VAL 237 Ca -0.10 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.91 1qwz s VAL 237 Cb -0.15 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1qwz s VAL 237 CO 0.01 0.58 -0.07 0.00 0.00 0.00 0.00 175.10 175.62 1qwz s ALA 238 N -0.54 0.94 -0.04 5.51 0.00 -0.08 -1.32 121.76 126.23 1qwz s ALA 238 Ca 0.08 -1.31 -0.18 0.00 0.00 0.00 0.00 51.96 50.55 1qwz s ALA 238 Cb -0.11 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 1qwz s ALA 238 CO 0.00 -0.23 0.50 0.21 0.00 0.00 0.00 175.76 176.25 1qwz s LYS 239 N -3.70 4.21 -0.22 0.00 2.20 0.06 -0.68 119.74 121.62 1qwz s LYS 239 Ca 0.10 0.54 -0.21 0.00 -0.36 0.00 0.00 55.97 56.05 1qwz s LYS 239 Cb 0.04 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 1qwz s LYS 239 CO -0.05 0.40 0.63 0.42 -0.36 0.00 0.00 175.35 176.39 1qwz s ILE 240 N -0.20 5.01 -0.13 5.43 1.01 -0.20 -0.32 121.20 131.80 1qwz s ILE 240 Ca 0.27 1.17 -0.00 0.00 0.00 0.00 0.00 60.65 62.09 1qwz s ILE 240 Cb -0.17 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 1qwz s ILE 240 CO 0.14 0.08 -0.13 -0.63 0.00 0.00 0.00 174.94 174.39 1qwz s ILE 241 N 2.12 3.00 -0.17 2.92 -1.09 0.06 -4.67 121.20 123.37 1qwz s ILE 241 Ca 0.28 -0.68 -0.28 0.00 -2.23 0.00 0.00 60.65 57.74 1qwz s ILE 241 Cb -0.16 -2.26 -0.01 0.00 -1.58 0.00 0.00 42.46 38.46 1qwz s ILE 241 CO 0.10 0.52 0.97 -0.75 -1.23 0.00 0.00 174.94 174.55 1qwz s LYS 242 N 0.38 4.33 -0.16 2.79 2.47 -1.26 -0.62 119.74 127.67 1qwz s LYS 242 Ca -0.11 1.27 -0.13 0.00 -1.56 0.00 0.00 55.97 55.44 1qwz s LYS 242 Cb -0.16 -3.59 -0.07 0.00 -1.46 0.00 0.00 37.83 32.55 1qwz s LYS 242 CO 0.06 -0.43 -0.09 0.28 0.16 0.00 0.00 175.35 175.33 1qwz n VAL 243 N 4.88 1.45 -1.50 4.02 0.31 0.48 -4.94 118.33 123.03 1qwz n VAL 243 Ca 0.09 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1qwz n VAL 243 Cb 0.48 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 1qwz n VAL 243 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97