#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wul s MET 2 N 0.00 1.58 0.00 3.23 0.23 -1.26 -4.83 119.30 118.26 1wul s MET 2 Ca 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 55.69 53.82 1wul s MET 2 Cb 0.00 0.56 0.00 0.00 -1.53 0.00 0.00 34.83 33.86 1wul s MET 2 CO 0.00 -0.72 0.00 0.41 -2.03 0.00 0.00 175.02 172.68 1wul n GLY 3 N -0.45 1.29 0.00 3.16 0.00 -1.26 -5.08 105.19 102.85 1wul n GLY 3 Ca -0.06 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1wul n GLY 3 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wul n PRO 4 N 0.00 3.80 0.00 1.61 -0.05 -1.26 -4.78 135.00 134.32 1wul n PRO 4 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 1wul n PRO 4 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 1wul n PRO 4 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 175.50 173.32 1wul n ARG 5 N 0.00 0.00 -3.40 0.54 0.00 -1.26 -4.63 116.66 107.92 1wul n ARG 5 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 1wul n ARG 5 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 1wul n ARG 5 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1wul s ARG 6 N 0.00 3.98 0.23 -0.14 0.52 -1.26 -5.02 118.95 117.25 1wul s ARG 6 Ca 0.00 0.48 -0.31 0.00 -0.52 0.00 0.00 55.73 55.38 1wul s ARG 6 Cb 0.00 -3.04 -0.11 0.00 0.52 0.00 0.00 34.95 32.32 1wul s ARG 6 CO 0.00 0.56 1.60 -2.14 0.02 0.00 0.00 175.30 175.34 1wul s PRO 7 N -1.65 4.17 0.08 3.54 0.02 -1.26 -4.47 135.00 135.42 1wul s PRO 7 Ca 0.33 2.49 -0.30 0.00 0.02 0.00 0.00 61.00 63.54 1wul s PRO 7 Cb -0.16 -3.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 1wul s PRO 7 CO 0.18 -0.63 1.01 0.45 -0.33 0.00 0.00 177.00 177.69 1wul s SER 8 N 0.83 7.38 -0.09 2.53 0.15 -1.26 -0.48 113.70 122.77 1wul s SER 8 Ca 0.68 1.82 0.04 0.00 0.70 0.00 0.00 55.95 59.19 1wul s SER 8 Cb -0.46 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.26 1wul s SER 8 CO 0.38 -0.19 -0.23 -0.69 1.20 0.00 0.00 173.24 173.72 1wul s VAL 9 N 0.39 1.94 -0.23 4.45 1.01 0.37 -0.57 120.40 127.76 1wul s VAL 9 Ca 0.50 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1wul s VAL 9 Cb -0.24 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.47 1wul s VAL 9 CO 0.30 0.53 -0.06 -0.69 0.00 0.00 0.00 175.10 175.18 1wul s VAL 10 N 0.28 3.08 -0.21 2.92 1.01 -0.03 -0.37 120.40 127.08 1wul s VAL 10 Ca -0.15 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1wul s VAL 10 Cb -0.17 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1wul s VAL 10 CO 0.07 0.33 -0.05 -0.47 0.00 0.00 0.00 175.10 174.99 1wul s TYR 11 N 1.40 2.95 -0.03 5.22 5.04 -0.44 -1.10 117.35 130.40 1wul s TYR 11 Ca 0.03 -0.91 0.01 0.00 -2.44 0.00 0.00 57.07 53.77 1wul s TYR 11 Cb -0.15 -2.09 -0.03 0.00 0.35 0.00 0.00 41.96 40.04 1wul s TYR 11 CO -0.04 -0.52 -0.05 -0.51 -1.34 0.00 0.00 175.55 173.09 1wul s LEU 12 N 1.39 3.27 -0.25 6.97 1.43 -0.21 -4.21 118.68 127.08 1wul s LEU 12 Ca 0.05 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1wul s LEU 12 Cb -0.14 -1.80 0.04 0.00 0.03 0.00 0.00 46.19 44.31 1wul s LEU 12 CO -0.03 0.32 -0.09 -1.00 0.23 0.00 0.00 176.35 175.78 1wul s HIS 13 N -0.93 3.10 0.00 0.29 3.76 -1.26 -0.52 115.29 119.73 1wul s HIS 13 Ca 0.15 -1.84 0.00 0.00 -0.15 0.00 0.00 55.06 53.22 1wul s HIS 13 Cb -0.11 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.58 1wul s HIS 13 CO 0.05 -0.80 0.00 0.09 -0.85 0.00 0.00 174.74 173.23 1wul n ASN 14 N 4.58 0.00 -4.45 1.40 3.02 0.33 -4.96 115.26 115.18 1wul n ASN 14 Ca -0.16 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.96 1wul n ASN 14 Cb 0.46 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.58 1wul n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wul s ALA 15 N -3.12 3.19 0.21 5.41 0.00 -0.24 -4.89 121.76 122.32 1wul s ALA 15 Ca 0.00 -1.82 -0.16 0.00 0.00 0.00 0.00 51.96 49.98 1wul s ALA 15 Cb 0.00 -3.75 0.02 0.00 0.00 0.00 0.00 23.12 19.39 1wul s ALA 15 CO 0.00 -2.60 0.49 -1.83 0.00 0.00 0.00 175.76 171.83 1wul s GLU 16 N 3.72 1.41 0.00 0.00 4.04 -1.26 -1.15 118.70 125.45 1wul s GLU 16 Ca 0.21 -0.99 0.15 0.00 0.04 0.00 0.00 54.97 54.38 1wul s GLU 16 Cb -0.18 0.50 -0.03 0.00 0.02 0.00 0.00 34.13 34.44 1wul s GLU 16 CO 0.11 -0.59 0.77 0.00 -1.84 0.00 0.00 175.26 173.71 1wul n THR 18 N -0.33 0.00 0.03 0.00 -1.04 -1.26 -4.90 114.28 106.78 1wul n THR 18 Ca 0.06 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.08 1wul n THR 18 Cb 0.29 0.00 0.34 0.00 -1.82 0.00 0.00 70.33 69.15 1wul n THR 18 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1wul h GLY 19 N 0.00 0.49 0.98 3.41 0.00 -1.99 -0.77 103.07 105.19 1wul h GLY 19 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 1wul h GLY 19 CO 0.00 0.25 -0.24 0.00 0.00 0.00 0.00 176.54 176.56 1wul h SER 21 N 0.51 0.64 -0.89 0.00 0.02 -1.88 -1.95 113.55 109.99 1wul h SER 21 Ca 0.06 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1wul h SER 21 Cb 0.80 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.17 1wul h SER 21 CO 0.06 0.44 0.54 -0.33 -1.14 0.00 0.00 176.83 176.40 1wul h GLU 22 N 0.78 1.21 -0.72 3.45 4.39 -0.97 -1.81 114.58 120.91 1wul h GLU 22 Ca 0.28 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.91 1wul h GLU 22 Cb 0.07 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 28.43 1wul h GLU 22 CO -0.13 0.85 0.48 0.66 -1.16 0.00 0.00 179.01 179.70 1wul h SER 23 N 1.24 0.75 -0.08 1.42 4.64 -0.21 -1.03 113.55 120.28 1wul h SER 23 Ca 0.32 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.55 1wul h SER 23 Cb -0.06 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 1wul h SER 23 CO -0.06 0.52 -0.20 0.58 -0.87 0.00 0.00 176.83 176.80 1wul h VAL 24 N 0.87 1.25 0.00 0.95 2.07 -0.89 -0.85 116.25 119.65 1wul h VAL 24 Ca 0.29 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1wul h VAL 24 Cb 0.06 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1wul h VAL 24 CO -0.08 0.37 -0.01 -0.07 0.02 0.00 0.00 177.57 177.80 1wul h LEU 25 N 0.43 0.00 -0.56 2.57 3.38 -0.91 -1.42 115.31 118.80 1wul h LEU 25 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1wul h LEU 25 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1wul h LEU 25 CO 0.04 0.01 0.00 0.54 0.09 0.00 0.00 178.44 179.12 1wul n ARG 26 N -3.22 1.36 -1.59 1.13 5.12 -0.32 -4.68 116.66 114.46 1wul n ARG 26 Ca -0.02 -0.55 -0.47 0.00 -1.93 0.00 0.00 57.85 54.88 1wul n ARG 26 Cb 0.12 -1.25 -0.03 0.00 -1.16 0.00 0.00 32.46 30.14 1wul n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wul n ALA 27 N -0.17 -0.47 -3.77 7.54 0.00 -0.54 -4.95 120.51 118.15 1wul n ALA 27 Ca 0.11 0.44 -0.25 0.00 0.00 0.00 0.00 53.44 53.74 1wul n ALA 27 Cb 0.17 -2.05 -0.17 0.00 0.00 0.00 0.00 19.45 17.40 1wul n ALA 27 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1wul s PHE 28 N -0.39 1.36 -0.85 0.00 5.36 -1.26 -3.99 117.98 118.21 1wul s PHE 28 Ca 0.69 -0.61 -0.03 0.00 -0.96 0.00 0.00 56.93 56.02 1wul s PHE 28 Cb -0.80 -1.12 0.00 0.00 -0.34 0.00 0.00 43.02 40.77 1wul s PHE 28 CO 0.54 -0.42 0.64 0.39 -1.46 0.00 0.00 175.22 174.91 1wul n GLU 29 N 4.62 -1.40 -3.05 10.12 1.02 -1.26 -4.63 120.64 126.06 1wul n GLU 29 Ca -0.15 0.86 -0.33 0.00 -0.02 0.00 0.00 57.16 57.52 1wul n GLU 29 Cb 0.50 -3.15 -0.06 0.00 -0.02 0.00 0.00 31.44 28.71 1wul n GLU 29 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wul s PRO 30 N -4.73 4.09 0.72 3.49 0.04 -1.26 -5.19 135.00 132.15 1wul s PRO 30 Ca 0.06 0.81 -0.09 0.00 0.04 0.00 0.00 61.00 61.82 1wul s PRO 30 Cb -0.03 -2.40 0.05 0.00 0.04 0.00 0.00 34.50 32.17 1wul s PRO 30 CO 0.87 0.12 1.05 0.71 0.04 0.00 0.00 177.00 179.80 1wul s TYR 31 N -2.00 3.03 0.36 0.56 1.51 -1.26 -4.71 117.35 114.85 1wul s TYR 31 Ca 0.55 0.64 0.15 0.00 -1.01 0.00 0.00 57.07 57.40 1wul s TYR 31 Cb -0.10 -3.19 0.82 0.00 -0.11 0.00 0.00 41.96 39.38 1wul s TYR 31 CO 0.17 -1.39 1.86 0.97 -1.11 0.00 0.00 175.55 176.04 1wul h ILE 32 N -0.67 1.14 -0.37 2.71 6.09 -1.84 -1.82 117.51 122.75 1wul h ILE 32 Ca -0.45 -1.17 -0.12 0.00 -1.37 0.00 0.00 64.86 61.75 1wul h ILE 32 Cb 1.30 1.65 -0.01 0.00 0.47 0.00 0.00 36.82 40.23 1wul h ILE 32 CO 0.62 0.32 -0.22 -2.24 -3.07 0.00 0.00 178.15 173.56 1wul h ASP 33 N 0.00 0.85 -0.88 2.19 2.03 -1.94 -1.24 116.42 117.42 1wul h ASP 33 Ca -0.00 -0.42 0.01 0.00 -0.73 0.00 0.00 57.03 55.88 1wul h ASP 33 Cb 0.62 -0.23 -0.04 0.00 -0.83 0.00 0.00 39.33 38.84 1wul h ASP 33 CO 0.04 1.08 0.58 0.74 -1.03 0.00 0.00 179.24 180.66 1wul h THR 34 N 0.61 1.22 -0.52 1.15 2.02 -1.81 -0.16 112.91 115.41 1wul h THR 34 Ca 0.08 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1wul h THR 34 Cb 0.78 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1wul h THR 34 CO 0.06 0.22 0.29 -0.07 0.37 0.00 0.00 175.52 176.39 1wul h LEU 35 N 1.19 0.65 0.00 2.58 3.38 -1.06 0.23 115.31 122.27 1wul h LEU 35 Ca 0.32 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 1wul h LEU 35 Cb -0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1wul h LEU 35 CO -0.07 0.54 -0.71 0.40 0.09 0.00 0.00 178.44 178.69 1wul h ILE 36 N 0.70 0.67 0.02 1.22 2.04 -0.97 0.20 117.51 121.38 1wul h ILE 36 Ca 0.18 -2.02 -0.32 0.00 1.00 0.00 0.00 64.86 63.70 1wul h ILE 36 Cb 0.04 2.25 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 1wul h ILE 36 CO -0.03 0.38 -1.94 0.18 0.00 0.00 0.00 178.15 176.74 1wul n LEU 37 N -3.11 0.98 -0.03 1.44 4.77 -0.10 -4.62 117.00 116.34 1wul n LEU 37 Ca -0.01 0.27 -0.05 0.00 -0.03 0.00 0.00 56.01 56.19 1wul n LEU 37 Cb 0.74 0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.84 1wul n LEU 37 CO 0.41 0.50 -0.70 0.47 -1.33 0.00 0.00 177.39 176.74 1wul n ASP 38 N -3.04 2.22 0.04 -1.43 8.00 0.74 -4.86 116.55 118.22 1wul n ASP 38 Ca -0.24 0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.06 1wul n ASP 38 Cb 1.07 -0.13 -0.14 0.00 -0.02 0.00 0.00 41.12 41.90 1wul n ASP 38 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1wul h THR 39 N -0.09 1.06 -3.40 -3.53 2.02 -1.26 -3.48 112.91 104.22 1wul h THR 39 Ca -0.14 -2.46 -0.40 0.00 0.77 0.00 0.00 66.41 64.18 1wul h THR 39 Cb 1.17 2.79 -0.14 0.00 -1.74 0.00 0.00 68.15 70.23 1wul h THR 39 CO -0.05 0.76 -0.61 -0.76 0.37 0.00 0.00 175.52 175.22 1wul s LEU 40 N -7.51 1.86 -0.31 2.58 1.43 0.05 -4.27 118.68 112.50 1wul s LEU 40 Ca -0.18 -1.38 0.01 0.00 -1.03 0.00 0.00 54.13 51.56 1wul s LEU 40 Cb 0.04 -0.14 0.07 0.00 0.03 0.00 0.00 46.19 46.19 1wul s LEU 40 CO 0.81 -0.68 0.01 -0.55 0.23 0.00 0.00 176.35 176.17 1wul s SER 41 N -3.38 4.79 -0.73 2.29 0.15 0.37 -4.38 113.70 112.81 1wul s SER 41 Ca 0.37 -1.63 -0.23 0.00 0.70 0.00 0.00 55.95 55.16 1wul s SER 41 Cb 0.08 -1.66 0.07 0.00 -1.71 0.00 0.00 66.02 62.80 1wul s SER 41 CO 0.14 -0.31 1.07 -0.22 1.20 0.00 0.00 173.24 175.13 1wul s LEU 42 N 1.11 4.17 0.00 3.45 2.96 -1.26 -0.48 118.68 128.63 1wul s LEU 42 Ca -0.01 -1.04 0.22 0.00 -0.22 0.00 0.00 54.13 53.08 1wul s LEU 42 Cb -0.20 -2.45 -0.11 0.00 0.50 0.00 0.00 46.19 43.92 1wul s LEU 42 CO -0.04 -1.48 0.97 0.47 -1.32 0.00 0.00 176.35 174.95 1wul n ASP 43 N 7.97 0.88 -3.66 3.68 10.43 0.51 -4.82 116.55 131.53 1wul n ASP 43 Ca 0.03 -0.83 -0.08 0.00 2.57 0.00 0.00 54.79 56.48 1wul n ASP 43 Cb 0.47 0.91 -0.08 0.00 1.84 0.00 0.00 41.12 44.26 1wul n ASP 43 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1wul s TYR 44 N -3.02 -0.90 -0.30 1.24 5.04 -1.23 -4.68 117.35 113.50 1wul s TYR 44 Ca 0.08 1.81 -0.01 0.00 -2.44 0.00 0.00 57.07 56.51 1wul s TYR 44 Cb 0.16 0.50 0.19 0.00 0.35 0.00 0.00 41.96 43.16 1wul s TYR 44 CO 0.84 -0.46 0.73 -1.58 -1.34 0.00 0.00 175.55 173.74 1wul s HIS 45 N 1.60 -1.38 0.56 4.97 2.46 -1.26 -1.32 115.29 120.92 1wul s HIS 45 Ca -0.10 1.03 0.31 0.00 0.47 0.00 0.00 55.06 56.77 1wul s HIS 45 Cb -0.07 0.32 1.82 0.00 -0.13 0.00 0.00 32.58 34.52 1wul s HIS 45 CO -0.17 -0.79 2.23 0.93 -2.47 0.00 0.00 174.74 174.48 1wul h GLU 46 N 7.86 0.00 -0.06 2.88 5.08 -1.95 -0.70 114.58 127.68 1wul h GLU 46 Ca -0.10 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.10 1wul h GLU 46 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1wul h GLU 46 CO 0.10 0.02 -0.68 1.15 -1.00 0.00 0.00 179.01 178.60 1wul h THR 47 N 0.00 1.41 0.00 1.13 2.02 -1.97 -3.37 112.91 112.13 1wul h THR 47 Ca -0.00 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.04 1wul h THR 47 Cb 0.07 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1wul h THR 47 CO 0.00 0.63 0.00 2.30 0.37 0.00 0.00 175.52 178.83 1wul n ILE 48 N -3.82 0.00 -2.37 3.11 -5.35 -0.97 -5.06 119.36 104.89 1wul n ILE 48 Ca -0.03 -0.42 -0.36 0.00 -0.27 0.00 0.00 62.75 61.67 1wul n ILE 48 Cb 0.67 1.10 -0.02 0.00 -1.74 0.00 0.00 39.64 39.65 1wul n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wul s MET 49 N -0.36 3.81 0.10 6.28 0.23 -0.31 -4.96 119.30 124.09 1wul s MET 49 Ca 0.00 1.62 -0.14 0.00 -1.03 0.00 0.00 55.69 56.14 1wul s MET 49 Cb 0.00 -2.34 -0.09 0.00 -1.53 0.00 0.00 34.83 30.87 1wul s MET 49 CO 0.00 -0.47 1.40 0.00 -2.03 0.00 0.00 175.02 173.92 1wul h ALA 50 N 1.97 0.42 -2.74 3.16 0.00 -1.96 -3.45 119.26 116.65 1wul h ALA 50 Ca -0.49 -0.43 -0.52 0.00 0.00 0.00 0.00 54.91 53.47 1wul h ALA 50 Cb 1.24 -0.08 0.08 0.00 0.00 0.00 0.00 17.79 19.03 1wul h ALA 50 CO 0.60 0.48 0.49 0.00 0.00 0.00 0.00 179.25 180.82 1wul s ALA 51 N -4.27 2.83 0.25 0.00 0.00 -1.26 -5.06 121.76 114.25 1wul s ALA 51 Ca -0.12 0.98 0.04 0.00 0.00 0.00 0.00 51.96 52.86 1wul s ALA 51 Cb 0.09 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1wul s ALA 51 CO 0.84 -0.86 0.00 0.00 0.00 0.00 0.00 175.76 175.74 1wul s ALA 52 N -1.56 1.94 0.00 0.00 0.00 -1.26 -4.53 121.76 116.34 1wul s ALA 52 Ca 0.69 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1wul s ALA 52 Cb -0.30 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1wul s ALA 52 CO 0.35 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1wul n GLY 53 N -0.47 3.15 0.35 0.00 0.00 -1.26 -2.11 105.19 104.85 1wul n GLY 53 Ca -0.05 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 45.73 1wul n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wul h ASP 54 N 7.71 0.63 -0.41 1.61 3.32 -1.98 0.49 116.42 127.78 1wul h ASP 54 Ca 0.00 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1wul h ASP 54 Cb 0.00 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1wul h ASP 54 CO 0.00 0.41 -0.07 0.00 -1.72 0.00 0.00 179.24 177.87 1wul h ALA 55 N 1.63 0.98 -0.25 3.45 0.00 -1.82 0.13 119.26 123.38 1wul h ALA 55 Ca 0.28 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1wul h ALA 55 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1wul h ALA 55 CO -0.09 0.61 -0.12 0.00 0.00 0.00 0.00 179.25 179.66 1wul h ALA 56 N 1.15 0.34 -0.97 0.00 0.00 -0.80 -1.79 119.26 117.19 1wul h ALA 56 Ca 0.14 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1wul h ALA 56 Cb 0.56 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1wul h ALA 56 CO 0.03 0.20 0.63 0.93 0.00 0.00 0.00 179.25 181.04 1wul h GLU 57 N 0.24 1.15 -0.74 0.00 5.08 -0.57 -1.31 114.58 118.43 1wul h GLU 57 Ca 0.06 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1wul h GLU 57 Cb 0.62 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1wul h GLU 57 CO 0.04 0.76 0.37 0.00 -1.00 0.00 0.00 179.01 179.18 1wul h ALA 58 N 1.42 0.95 -0.82 3.43 0.00 -0.59 -1.76 119.26 121.88 1wul h ALA 58 Ca 0.40 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1wul h ALA 58 Cb 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1wul h ALA 58 CO -0.15 0.50 0.37 0.00 0.00 0.00 0.00 179.25 179.97 1wul h ALA 59 N 1.18 1.07 -0.05 0.00 0.00 -0.60 -0.23 119.26 120.64 1wul h ALA 59 Ca 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wul h ALA 59 Cb 0.09 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1wul h ALA 59 CO -0.03 0.65 0.03 1.25 0.00 0.00 0.00 179.25 181.14 1wul h LEU 60 N 1.18 0.07 -0.95 0.00 5.85 -0.98 -1.43 115.31 119.05 1wul h LEU 60 Ca 0.28 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1wul h LEU 60 Cb 0.15 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1wul h LEU 60 CO -0.03 0.14 0.61 -0.08 -0.34 0.00 0.00 178.44 178.74 1wul h GLU 61 N -0.01 1.26 -0.80 1.25 4.22 -1.04 -0.53 114.58 118.92 1wul h GLU 61 Ca 0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 1wul h GLU 61 Cb 0.09 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 1wul h GLU 61 CO -0.00 0.85 0.47 0.37 -2.18 0.00 0.00 179.01 178.52 1wul h GLN 62 N 1.29 1.10 -0.13 1.92 4.15 -0.82 -1.52 115.11 121.11 1wul h GLN 62 Ca 0.34 -0.10 -0.15 0.00 0.77 0.00 0.00 58.65 59.51 1wul h GLN 62 Cb -0.12 -0.23 0.01 0.00 0.21 0.00 0.00 27.48 27.35 1wul h GLN 62 CO -0.07 0.78 -0.49 0.00 -1.93 0.00 0.00 178.83 177.11 1wul h ALA 63 N 1.40 0.23 -0.09 3.38 0.00 -0.54 -3.09 119.26 120.55 1wul h ALA 63 Ca 0.29 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1wul h ALA 63 Cb -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1wul h ALA 63 CO -0.05 0.41 -0.38 0.28 0.00 0.00 0.00 179.25 179.51 1wul h VAL 64 N 0.18 1.29 -0.69 0.00 2.07 -0.94 -2.97 116.25 115.19 1wul h VAL 64 Ca -0.03 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1wul h VAL 64 Cb 1.13 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1wul h VAL 64 CO 0.10 0.42 0.00 0.59 0.02 0.00 0.00 177.57 178.70 1wul n ASN 65 N -4.06 3.96 -4.77 0.57 3.02 -0.59 -4.90 115.26 108.49 1wul n ASN 65 Ca -0.01 -2.10 -0.41 0.00 -0.03 0.00 0.00 54.58 52.03 1wul n ASN 65 Cb 0.45 -0.49 -0.01 0.00 -0.61 0.00 0.00 39.78 39.11 1wul n ASN 65 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wul s SER 66 N -0.97 6.51 0.25 6.41 0.15 -1.12 -4.86 113.70 120.07 1wul s SER 66 Ca 0.48 2.88 0.23 0.00 0.70 0.00 0.00 55.95 60.24 1wul s SER 66 Cb 0.26 -2.65 0.97 0.00 -1.71 0.00 0.00 66.02 62.89 1wul s SER 66 CO 0.30 -0.77 1.71 -0.81 1.20 0.00 0.00 173.24 174.87 1wul n PRO 67 N 1.16 0.19 0.08 5.44 -0.04 -1.26 -2.19 135.00 138.39 1wul n PRO 67 Ca 0.03 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 64.03 1wul n PRO 67 Cb 0.40 -1.86 0.44 0.00 -0.04 0.00 0.00 33.50 32.43 1wul n PRO 67 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1wul n HIS 68 N -2.22 0.73 0.00 0.54 8.25 -1.26 -5.04 115.22 116.22 1wul n HIS 68 Ca 0.02 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1wul n HIS 68 Cb 0.24 -0.84 0.00 0.00 1.12 0.00 0.00 29.99 30.50 1wul n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wul n GLY 69 N 1.35 -0.88 3.19 -1.41 0.00 -0.93 -4.97 105.19 101.54 1wul n GLY 69 Ca 0.06 -1.61 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 1wul n GLY 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wul s PHE 70 N -2.98 0.24 -0.13 1.61 -0.71 -1.26 -4.40 117.98 110.35 1wul s PHE 70 Ca 0.00 -0.69 -0.05 0.00 -1.04 0.00 0.00 56.93 55.14 1wul s PHE 70 Cb 0.00 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 1wul s PHE 70 CO 0.00 -0.52 0.07 0.42 -1.34 0.00 0.00 175.22 173.85 1wul s ILE 71 N -3.88 4.85 -0.16 -4.49 1.01 0.27 -0.89 121.20 117.92 1wul s ILE 71 Ca 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.62 1wul s ILE 71 Cb 0.05 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1wul s ILE 71 CO -0.10 0.56 0.04 0.00 0.00 0.00 0.00 174.94 175.43 1wul s ALA 72 N -0.46 3.34 -0.16 9.38 0.00 -0.42 -0.85 121.76 132.59 1wul s ALA 72 Ca 0.10 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1wul s ALA 72 Cb -0.12 -1.79 -0.01 0.00 0.00 0.00 0.00 23.12 21.20 1wul s ALA 72 CO 0.02 0.28 -0.11 0.08 0.00 0.00 0.00 175.76 176.03 1wul s VAL 73 N 0.08 3.06 -0.14 0.00 1.01 -0.26 -0.73 120.40 123.43 1wul s VAL 73 Ca 0.04 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1wul s VAL 73 Cb -0.12 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1wul s VAL 73 CO 0.01 0.50 -0.21 -0.69 0.00 0.00 0.00 175.10 174.71 1wul s VAL 74 N 0.77 2.18 -0.13 2.92 1.01 0.05 -1.05 120.40 126.17 1wul s VAL 74 Ca -0.04 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1wul s VAL 74 Cb -0.15 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1wul s VAL 74 CO 0.01 0.54 -0.08 -0.70 0.00 0.00 0.00 175.10 174.87 1wul s GLU 75 N 0.80 3.37 0.00 2.72 2.12 0.32 -0.59 118.70 127.43 1wul s GLU 75 Ca -0.07 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 54.66 1wul s GLU 75 Cb -0.16 -2.73 0.00 0.00 0.26 0.00 0.00 34.13 31.51 1wul s GLU 75 CO -0.01 0.31 0.00 0.41 -0.54 0.00 0.00 175.26 175.43 1wul n GLY 76 N 3.27 2.30 3.87 -1.50 0.00 -1.26 -0.51 105.19 111.35 1wul n GLY 76 Ca -0.18 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 1wul n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wul s GLY 77 N 0.00 1.64 -0.34 -0.02 0.00 -0.30 -3.42 107.32 104.88 1wul s GLY 77 Ca 0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 44.72 44.37 1wul s GLY 77 CO 0.00 0.11 0.24 -0.42 0.00 0.00 0.00 173.10 173.03 1wul s ILE 78 N -3.27 5.28 -0.10 0.90 1.01 -0.03 -1.08 121.20 123.91 1wul s ILE 78 Ca 0.57 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.71 1wul s ILE 78 Cb -0.11 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 1wul s ILE 78 CO 0.53 -0.01 1.18 -2.16 0.00 0.00 0.00 174.94 174.48 1wul s PRO 79 N 1.72 4.33 -0.00 2.79 0.05 -1.26 -1.01 135.00 141.61 1wul s PRO 79 Ca 0.06 1.62 0.10 0.00 0.05 0.00 0.00 61.00 62.84 1wul s PRO 79 Cb -0.17 -3.61 -0.13 0.00 0.05 0.00 0.00 34.50 30.64 1wul s PRO 79 CO 0.10 -0.50 0.38 0.25 0.05 0.00 0.00 177.00 177.28 1wul n THR 80 N 4.82 0.00 -1.65 1.26 -2.24 -0.06 -4.24 114.28 112.18 1wul n THR 80 Ca 0.11 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.28 1wul n THR 80 Cb 0.46 0.79 0.07 0.00 -2.10 0.00 0.00 70.33 69.55 1wul n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wul s ALA 81 N -2.20 2.29 -1.53 6.98 0.00 -0.57 -3.07 121.76 123.65 1wul s ALA 81 Ca 0.02 1.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.95 1wul s ALA 81 Cb 0.08 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.76 1wul s ALA 81 CO 0.43 -1.67 0.78 0.00 0.00 0.00 0.00 175.76 175.30 1wul n ALA 82 N -2.18 -1.52 -2.30 0.00 0.00 -1.26 -1.15 120.51 112.10 1wul n ALA 82 Ca 0.15 -0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.39 1wul n ALA 82 Cb 0.49 -3.26 -0.02 0.00 0.00 0.00 0.00 19.45 16.66 1wul n ALA 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wul n ASN 83 N -2.84 -5.64 0.00 0.00 4.05 -1.21 -2.85 115.26 106.76 1wul n ASN 83 Ca -0.07 0.03 0.00 0.00 0.45 0.00 0.00 54.58 54.99 1wul n ASN 83 Cb 0.57 -4.69 0.00 0.00 1.23 0.00 0.00 39.78 36.89 1wul n ASN 83 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wul n GLY 84 N -0.97 0.72 0.01 8.20 0.00 -0.30 -4.95 105.19 107.90 1wul n GLY 84 Ca -0.23 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.88 1wul n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wul n ILE 85 N -2.46 0.76 0.60 -0.61 -6.64 -1.13 -2.80 119.36 107.08 1wul n ILE 85 Ca 0.00 0.18 0.11 0.00 -1.77 0.00 0.00 62.75 61.27 1wul n ILE 85 Cb 0.00 -0.89 0.44 0.00 -1.44 0.00 0.00 39.64 37.74 1wul n ILE 85 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 1wul n TYR 86 N -1.56 0.33 -3.69 4.28 4.01 -1.26 -4.54 117.16 114.73 1wul n TYR 86 Ca 0.04 0.12 -0.21 0.00 -0.16 0.00 0.00 57.90 57.69 1wul n TYR 86 Cb 0.22 -0.69 -0.18 0.00 -0.31 0.00 0.00 39.34 38.38 1wul n TYR 86 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1wul s GLY 87 N -3.22 0.28 0.04 2.72 0.00 -1.12 -5.05 107.32 100.97 1wul s GLY 87 Ca 0.08 0.11 0.03 0.00 0.00 0.00 0.00 44.72 44.94 1wul s GLY 87 CO 0.40 1.33 -0.10 0.54 0.00 0.00 0.00 173.10 175.27 1wul s LYS 88 N 2.12 0.63 -0.06 2.90 1.02 -1.26 -1.12 119.74 123.96 1wul s LYS 88 Ca 0.05 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.31 1wul s LYS 88 Cb -0.12 -0.50 0.01 0.00 -0.52 0.00 0.00 37.83 36.70 1wul s LYS 88 CO -0.04 0.11 -0.14 0.08 -0.92 0.00 0.00 175.35 174.44 1wul s VAL 89 N -1.18 1.24 -1.31 3.17 1.01 -0.15 -4.76 120.40 118.43 1wul s VAL 89 Ca -0.06 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1wul s VAL 89 Cb -0.09 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1wul s VAL 89 CO 0.01 0.38 0.23 0.00 0.00 0.00 0.00 175.10 175.72 1wul n ALA 90 N 3.67 -0.86 -2.08 5.51 0.00 -1.26 -1.05 120.51 124.43 1wul n ALA 90 Ca -0.22 0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 1wul n ALA 90 Cb 0.52 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 1wul n ALA 90 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wul n ASN 91 N -2.09 -5.31 -4.56 0.00 4.05 -1.26 -5.01 115.26 101.08 1wul n ASN 91 Ca -0.12 0.14 -0.32 0.00 0.45 0.00 0.00 54.58 54.73 1wul n ASN 91 Cb 0.61 -4.39 -0.11 0.00 1.23 0.00 0.00 39.78 37.12 1wul n ASN 91 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1wul s HIS 92 N -2.84 2.81 0.56 1.20 3.76 -0.22 -5.08 115.29 115.48 1wul s HIS 92 Ca 0.00 -0.09 -0.19 0.00 -0.15 0.00 0.00 55.06 54.63 1wul s HIS 92 Cb 0.00 -1.57 -0.05 0.00 1.11 0.00 0.00 32.58 32.07 1wul s HIS 92 CO 0.00 0.35 1.12 0.95 -0.85 0.00 0.00 174.74 176.30 1wul s THR 93 N -0.99 3.26 0.39 1.30 -4.23 -1.26 -0.98 115.64 113.13 1wul s THR 93 Ca 0.17 0.75 0.08 0.00 -1.18 0.00 0.00 61.69 61.51 1wul s THR 93 Cb -0.11 -3.28 0.20 0.00 1.34 0.00 0.00 72.50 70.65 1wul s THR 93 CO 0.07 -0.21 1.97 0.24 -0.54 0.00 0.00 174.62 176.16 1wul h MET 94 N 1.04 0.38 -0.38 3.99 2.86 -1.33 0.97 114.93 122.45 1wul h MET 94 Ca -0.49 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.09 1wul h MET 94 Cb 1.25 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 1wul h MET 94 CO 0.57 0.38 0.25 1.25 1.06 0.00 0.00 176.91 180.41 1wul h LEU 95 N 0.37 0.44 -0.52 1.22 5.85 -1.83 0.15 115.31 120.99 1wul h LEU 95 Ca 0.09 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1wul h LEU 95 Cb 0.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1wul h LEU 95 CO 0.00 0.33 0.07 -0.78 -0.34 0.00 0.00 178.44 177.72 1wul h ASP 96 N 0.51 0.83 -0.30 1.25 3.58 -1.73 -0.14 116.42 120.42 1wul h ASP 96 Ca 0.14 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1wul h ASP 96 Cb -0.04 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.77 1wul h ASP 96 CO -0.03 0.89 0.19 0.40 -2.88 0.00 0.00 179.24 177.81 1wul h ILE 97 N 0.74 1.09 -0.20 2.25 2.04 -0.57 -1.60 117.51 121.25 1wul h ILE 97 Ca 0.15 -0.18 -0.15 0.00 1.00 0.00 0.00 64.86 65.68 1wul h ILE 97 Cb 0.42 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1wul h ILE 97 CO 0.01 0.08 -0.51 0.00 0.00 0.00 0.00 178.15 177.74 1wul h SER 99 N 0.45 0.26 0.31 0.00 0.02 -0.72 -0.35 113.55 113.52 1wul h SER 99 Ca 0.02 -0.02 -0.33 0.00 -0.84 0.00 0.00 61.79 60.61 1wul h SER 99 Cb 1.04 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1wul h SER 99 CO 0.10 0.27 -1.65 0.03 -1.14 0.00 0.00 176.83 174.44 1wul h ARG 100 N 0.29 0.34 0.08 3.45 3.08 -0.89 -3.40 114.38 117.34 1wul h ARG 100 Ca 0.07 -0.58 -0.28 0.00 0.07 0.00 0.00 59.98 59.27 1wul h ARG 100 Cb 0.12 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1wul h ARG 100 CO -0.00 1.23 -1.47 0.82 -1.07 0.00 0.00 179.97 179.47 1wul h ILE 101 N 0.09 0.91 -0.45 2.04 2.04 -0.91 -3.40 117.51 117.83 1wul h ILE 101 Ca -0.30 -2.31 -0.08 0.00 1.00 0.00 0.00 64.86 63.17 1wul h ILE 101 Cb 2.07 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 40.65 1wul h ILE 101 CO 0.18 0.63 -0.03 -0.07 0.00 0.00 0.00 178.15 178.85 1wul h LEU 102 N -0.45 0.74 -1.70 1.44 3.38 -1.28 -0.94 115.31 116.51 1wul h LEU 102 Ca -0.34 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1wul h LEU 102 Cb 1.67 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1wul h LEU 102 CO -0.02 0.83 0.01 -0.65 0.09 0.00 0.00 178.44 178.70 1wul h PRO 103 N 0.71 0.00 0.00 1.13 0.11 -1.76 -1.45 132.00 130.74 1wul h PRO 103 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1wul h PRO 103 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1wul h PRO 103 CO 0.02 0.00 -0.49 1.63 -0.21 0.00 0.00 178.00 178.95 1wul n LYS 104 N -2.40 0.01 -2.40 1.05 5.02 -0.36 -4.92 118.16 114.16 1wul n LYS 104 Ca -0.02 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.92 1wul n LYS 104 Cb 0.05 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.53 1wul n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wul s ALA 105 N -3.00 2.87 0.27 7.82 0.00 -0.55 -4.76 121.76 124.41 1wul s ALA 105 Ca 0.11 0.76 0.06 0.00 0.00 0.00 0.00 51.96 52.89 1wul s ALA 105 Cb 0.17 -3.32 0.36 0.00 0.00 0.00 0.00 23.12 20.34 1wul s ALA 105 CO 0.70 -0.51 1.63 1.96 0.00 0.00 0.00 175.76 179.54 1wul h GLN 106 N 1.69 0.22 -2.45 0.00 1.08 -1.34 -3.45 115.11 110.86 1wul h GLN 106 Ca -0.49 -0.13 -0.08 0.00 -1.45 0.00 0.00 58.65 56.50 1wul h GLN 106 Cb 1.24 0.01 -0.19 0.00 -0.05 0.00 0.00 27.48 28.49 1wul h GLN 106 CO 0.59 0.68 0.01 0.00 -0.95 0.00 0.00 178.83 179.16 1wul s ALA 107 N -3.93 -1.38 -0.08 3.87 0.00 -1.26 -5.06 121.76 113.92 1wul s ALA 107 Ca -0.04 0.89 0.03 0.00 0.00 0.00 0.00 51.96 52.84 1wul s ALA 107 Cb 0.13 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.33 1wul s ALA 107 CO 0.78 -0.35 -0.17 0.08 0.00 0.00 0.00 175.76 176.11 1wul s VAL 108 N -1.39 1.52 -0.20 0.00 1.01 -1.26 -1.31 120.40 118.77 1wul s VAL 108 Ca -0.11 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 1wul s VAL 108 Cb -0.02 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1wul s VAL 108 CO 0.07 0.44 -0.10 -0.63 0.00 0.00 0.00 175.10 174.87 1wul s ILE 109 N 0.59 2.90 -0.37 2.22 1.01 0.09 -0.70 121.20 126.94 1wul s ILE 109 Ca -0.15 -0.66 -0.26 0.00 0.00 0.00 0.00 60.65 59.58 1wul s ILE 109 Cb -0.16 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.04 1wul s ILE 109 CO 0.05 0.47 0.93 0.00 0.00 0.00 0.00 174.94 176.39 1wul s ALA 110 N 1.32 3.40 -0.22 9.38 0.00 0.11 -0.77 121.76 134.98 1wul s ALA 110 Ca 0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 1wul s ALA 110 Cb -0.14 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.45 1wul s ALA 110 CO -0.06 -1.62 -0.09 -0.47 0.00 0.00 0.00 175.76 173.52 1wul s TYR 111 N 3.49 2.97 0.00 0.00 5.04 0.24 -0.72 117.35 128.37 1wul s TYR 111 Ca 0.38 -1.44 0.00 0.00 -2.44 0.00 0.00 57.07 53.57 1wul s TYR 111 Cb -0.12 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.16 1wul s TYR 111 CO 0.19 -0.71 0.00 0.41 -1.34 0.00 0.00 175.55 174.10 1wul n GLY 112 N 4.68 3.22 0.46 8.97 0.00 -0.03 -4.32 105.19 118.17 1wul n GLY 112 Ca -0.18 -1.25 0.28 0.00 0.00 0.00 0.00 46.02 44.86 1wul n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1wul h THR 113 N 0.00 0.50 0.40 2.61 2.02 -1.42 0.25 112.91 117.28 1wul h THR 113 Ca 0.00 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1wul h THR 113 Cb 0.00 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1wul h THR 113 CO 0.00 0.04 -0.19 0.00 0.37 0.00 0.00 175.52 175.73 1wul h ALA 115 N -0.06 1.19 -0.07 0.00 0.00 -1.35 0.23 119.26 119.21 1wul h ALA 115 Ca -0.05 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1wul h ALA 115 Cb 0.46 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wul h ALA 115 CO 0.09 0.57 -0.39 1.79 0.00 0.00 0.00 179.25 181.31 1wul h THR 116 N 0.91 1.42 0.00 0.00 1.35 -0.44 0.13 112.91 116.27 1wul h THR 116 Ca 0.21 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 1wul h THR 116 Cb 0.24 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1wul h THR 116 CO -0.01 0.52 0.00 0.49 -0.25 0.00 0.00 175.52 176.27 1wul n PHE 117 N -4.36 0.00 0.00 4.73 3.72 0.80 -4.31 117.46 118.03 1wul n PHE 117 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1wul n PHE 117 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1wul n PHE 117 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wul n GLY 118 N 0.18 3.11 7.00 1.37 0.00 0.80 -4.04 105.19 113.60 1wul n GLY 118 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1wul n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wul n GLY 119 N 0.00 0.07 0.33 -0.02 0.00 -1.17 -3.55 105.19 100.84 1wul n GLY 119 Ca 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 1wul n GLY 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1wul h VAL 120 N 0.00 1.26 0.00 1.61 3.04 -1.94 0.07 116.25 120.29 1wul h VAL 120 Ca 0.00 -0.90 0.00 0.00 -1.01 0.00 0.00 66.70 64.79 1wul h VAL 120 Cb 0.00 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 29.76 1wul h VAL 120 CO 0.00 0.35 0.00 0.00 -1.01 0.00 0.00 177.57 176.91 1wul n GLN 121 N -4.25 0.16 0.00 4.17 0.00 -1.26 -2.31 117.38 113.89 1wul n GLN 121 Ca 0.06 0.27 0.14 0.00 0.00 0.00 0.00 57.00 57.47 1wul n GLN 121 Cb 0.23 -1.74 0.58 0.00 0.00 0.00 0.00 30.24 29.31 1wul n GLN 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wul n ALA 122 N -1.70 2.79 -1.75 2.61 0.00 -0.00 -4.44 120.51 118.02 1wul n ALA 122 Ca 0.04 -0.28 -0.36 0.00 0.00 0.00 0.00 53.44 52.84 1wul n ALA 122 Cb 0.30 -1.31 0.04 0.00 0.00 0.00 0.00 19.45 18.48 1wul n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wul s ALA 123 N -2.50 2.52 0.26 0.00 0.00 -0.98 -4.38 121.76 116.69 1wul s ALA 123 Ca 0.28 1.08 -0.29 0.00 0.00 0.00 0.00 51.96 53.03 1wul s ALA 123 Cb 0.20 -3.48 -0.14 0.00 0.00 0.00 0.00 23.12 19.69 1wul s ALA 123 CO 0.48 -1.28 1.12 1.63 0.00 0.00 0.00 175.76 177.71 1wul n LYS 124 N -1.62 1.46 -0.64 0.00 5.02 -1.26 -0.01 118.16 121.11 1wul n LYS 124 Ca 0.14 0.51 0.02 0.00 -2.02 0.00 0.00 58.31 56.96 1wul n LYS 124 Cb 0.49 -1.97 0.25 0.00 -0.02 0.00 0.00 35.03 33.79 1wul n LYS 124 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1wul n PRO 125 N 1.11 3.40 -3.61 1.97 -0.04 -1.26 -4.99 135.00 131.59 1wul n PRO 125 Ca 0.11 -2.12 -0.26 0.00 -0.04 0.00 0.00 63.50 61.19 1wul n PRO 125 Cb 0.31 -1.99 0.03 0.00 -0.04 0.00 0.00 33.50 31.81 1wul n PRO 125 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wul n ASN 126 N 0.28 -5.64 0.25 3.54 4.05 0.98 -4.85 115.26 113.89 1wul n ASN 126 Ca 0.22 -0.88 0.09 0.00 0.45 0.00 0.00 54.58 54.45 1wul n ASN 126 Cb 0.95 -3.45 0.65 0.00 1.23 0.00 0.00 39.78 39.16 1wul n ASN 126 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1wul h PRO 127 N -1.37 0.00 -0.56 1.20 0.13 -1.83 -2.15 132.00 127.41 1wul h PRO 127 Ca -0.58 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1wul h PRO 127 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1wul h PRO 127 CO 0.44 0.09 0.00 0.25 -0.23 0.00 0.00 178.00 178.55 1wul n THR 128 N -4.19 0.75 -3.75 1.56 -2.24 -1.26 -4.89 114.28 100.27 1wul n THR 128 Ca -0.03 -0.81 -0.25 0.00 -2.27 0.00 0.00 64.05 60.69 1wul n THR 128 Cb 0.17 0.54 0.05 0.00 -2.10 0.00 0.00 70.33 68.98 1wul n THR 128 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wul n GLY 129 N 1.50 -0.44 3.76 3.38 0.00 -0.81 -1.52 105.19 111.06 1wul n GLY 129 Ca 0.21 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 1wul n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wul s ALA 130 N -3.41 3.46 0.08 4.61 0.00 -1.26 -0.88 121.76 124.36 1wul s ALA 130 Ca 0.42 1.04 0.04 0.00 0.00 0.00 0.00 51.96 53.46 1wul s ALA 130 Cb -0.20 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 1wul s ALA 130 CO 0.79 -0.39 -0.10 0.15 0.00 0.00 0.00 175.76 176.21 1wul s LYS 131 N -1.16 0.78 0.92 0.00 1.02 -0.18 -4.66 119.74 116.46 1wul s LYS 131 Ca 0.49 -1.05 -0.12 0.00 0.02 0.00 0.00 55.97 55.31 1wul s LYS 131 Cb -0.35 -0.54 0.14 0.00 -0.52 0.00 0.00 37.83 36.56 1wul s LYS 131 CO 0.43 0.09 1.09 0.20 -0.92 0.00 0.00 175.35 176.25 1wul s GLY 132 N -2.16 1.62 0.10 -3.33 0.00 -1.26 -0.85 107.32 101.43 1wul s GLY 132 Ca 0.01 -0.03 -0.23 0.00 0.00 0.00 0.00 44.72 44.48 1wul s GLY 132 CO 0.00 0.48 1.72 -2.08 0.00 0.00 0.00 173.10 173.22 1wul h VAL 133 N -1.67 0.88 -0.05 1.40 2.07 -0.93 -0.82 116.25 117.13 1wul h VAL 133 Ca -0.50 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 1wul h VAL 133 Cb 1.29 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1wul h VAL 133 CO 0.53 0.00 -0.34 0.78 0.02 0.00 0.00 177.57 178.56 1wul h ASN 134 N -0.06 0.09 0.19 0.57 2.35 -1.81 -0.44 115.58 116.48 1wul h ASN 134 Ca 0.03 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1wul h ASN 134 Cb 0.10 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1wul h ASN 134 CO -0.07 0.44 -0.09 -0.78 -1.65 0.00 0.00 177.43 175.27 1wul h ASP 135 N 0.08 -0.22 -0.61 5.81 3.58 -1.83 -1.28 116.42 121.96 1wul h ASP 135 Ca 0.01 -0.28 0.04 0.00 0.42 0.00 0.00 57.03 57.22 1wul h ASP 135 Cb 0.65 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.72 1wul h ASP 135 CO 0.05 0.20 0.41 0.00 -2.88 0.00 0.00 179.24 177.02 1wul h ALA 136 N -0.01 1.72 -0.11 -0.78 0.00 -0.93 -3.20 119.26 115.95 1wul h ALA 136 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wul h ALA 136 Cb 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wul h ALA 136 CO 0.04 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.77 1wul n LEU 137 N -4.47 2.58 -0.31 0.00 4.77 -0.19 -4.68 117.00 114.69 1wul n LEU 137 Ca 0.08 -2.46 0.15 0.00 -0.03 0.00 0.00 56.01 53.74 1wul n LEU 137 Cb 0.17 -0.25 0.33 0.00 -2.33 0.00 0.00 43.42 41.34 1wul n LEU 137 CO 0.34 0.63 1.06 0.50 -1.33 0.00 0.00 177.39 178.60 1wul h LYS 138 N 0.68 0.39 0.00 3.23 3.64 -1.22 0.23 116.57 123.52 1wul h LYS 138 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1wul h LYS 138 Cb 0.83 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1wul h LYS 138 CO 0.04 0.26 0.00 -2.39 -2.27 0.00 0.00 179.45 175.08 1wul n HIS 139 N -5.04 0.84 0.07 1.91 1.44 -1.26 -1.01 115.22 112.17 1wul n HIS 139 Ca 0.24 0.33 0.11 0.00 -2.01 0.00 0.00 57.72 56.39 1wul n HIS 139 Cb 0.70 -1.03 0.24 0.00 0.12 0.00 0.00 29.99 30.03 1wul n HIS 139 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1wul n LEU 140 N -2.27 3.57 -0.55 2.39 4.77 0.79 -4.94 117.00 120.77 1wul n LEU 140 Ca 0.02 -1.67 -0.07 0.00 -0.03 0.00 0.00 56.01 54.26 1wul n LEU 140 Cb 0.24 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1wul n LEU 140 CO 0.20 0.81 -0.07 0.61 -1.33 0.00 0.00 177.39 177.62 1wul n GLY 141 N 1.48 0.90 3.69 -0.72 0.00 -0.18 -4.93 105.19 105.42 1wul n GLY 141 Ca 0.20 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1wul n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wul s VAL 142 N -2.13 3.79 -0.46 1.61 1.01 -1.20 -4.98 120.40 118.04 1wul s VAL 142 Ca 0.00 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.16 1wul s VAL 142 Cb 0.00 -3.74 0.13 0.00 0.00 0.00 0.00 36.38 32.77 1wul s VAL 142 CO 0.00 -0.01 0.24 -0.54 0.00 0.00 0.00 175.10 174.79 1wul s LYS 143 N 2.52 1.54 0.30 2.72 1.02 -1.26 -4.58 119.74 121.99 1wul s LYS 143 Ca 0.63 -2.21 -0.28 0.00 0.02 0.00 0.00 55.97 54.13 1wul s LYS 143 Cb -0.30 -2.72 -0.09 0.00 -0.52 0.00 0.00 37.83 34.19 1wul s LYS 143 CO 0.25 -1.13 0.98 0.00 -0.92 0.00 0.00 175.35 174.53 1wul s ALA 144 N 0.15 3.27 0.09 5.17 0.00 -1.26 -4.72 121.76 124.46 1wul s ALA 144 Ca 0.17 0.63 -0.31 0.00 0.00 0.00 0.00 51.96 52.45 1wul s ALA 144 Cb -0.25 -3.22 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 1wul s ALA 144 CO -0.00 0.09 1.50 0.42 0.00 0.00 0.00 175.76 177.76 1wul s ILE 145 N -1.41 3.19 -0.32 0.00 1.01 0.12 -4.75 121.20 119.05 1wul s ILE 145 Ca 0.47 0.76 -0.15 0.00 0.00 0.00 0.00 60.65 61.73 1wul s ILE 145 Cb -0.23 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 1wul s ILE 145 CO 0.29 0.03 0.36 0.20 0.00 0.00 0.00 174.94 175.82 1wul s ASN 146 N 1.62 6.19 -0.45 3.58 0.01 -0.10 -0.71 114.94 125.08 1wul s ASN 146 Ca 0.68 -0.06 -0.06 0.00 -0.71 0.00 0.00 52.86 52.70 1wul s ASN 146 Cb -0.38 -2.20 0.12 0.00 0.41 0.00 0.00 41.25 39.20 1wul s ASN 146 CO 0.30 -0.28 0.29 -0.63 -1.51 0.00 0.00 177.10 175.27 1wul s ILE 147 N 2.03 3.79 0.43 0.60 1.01 0.10 -3.94 121.20 125.24 1wul s ILE 147 Ca 0.13 -1.96 -0.01 0.00 0.00 0.00 0.00 60.65 58.81 1wul s ILE 147 Cb -0.16 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 1wul s ILE 147 CO 0.11 -0.75 0.67 0.00 0.00 0.00 0.00 174.94 174.98 1wul s ALA 148 N 1.20 3.63 0.00 9.38 0.00 -1.26 -0.85 121.76 133.86 1wul s ALA 148 Ca 0.07 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1wul s ALA 148 Cb -0.24 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1wul s ALA 148 CO -0.02 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1wul n GLY 149 N -2.06 3.76 2.34 0.00 0.00 -1.24 -4.30 105.19 103.69 1wul n GLY 149 Ca -0.01 -1.72 -0.26 0.00 0.00 0.00 0.00 46.02 44.03 1wul n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wul s PRO 151 N -1.05 2.28 1.00 0.00 0.04 -1.26 -5.07 135.00 130.94 1wul s PRO 151 Ca 0.34 -0.40 -0.12 0.00 0.04 0.00 0.00 61.00 60.86 1wul s PRO 151 Cb 0.11 -2.26 0.19 0.00 0.04 0.00 0.00 34.50 32.59 1wul s PRO 151 CO -0.13 -1.10 1.09 -2.14 0.04 0.00 0.00 177.00 174.76 1wul s PRO 152 N -5.12 0.41 -0.05 0.56 0.02 -1.12 -4.97 135.00 124.72 1wul s PRO 152 Ca 0.59 0.54 -0.30 0.00 0.02 0.00 0.00 61.00 61.86 1wul s PRO 152 Cb -0.11 -1.73 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 1wul s PRO 152 CO 0.43 -2.75 1.41 1.21 -0.33 0.00 0.00 177.00 176.97 1wul s ASN 153 N -3.42 6.85 0.61 2.53 3.84 -1.26 -4.90 114.94 119.19 1wul s ASN 153 Ca 0.65 2.02 0.39 0.00 0.21 0.00 0.00 52.86 56.14 1wul s ASN 153 Cb -0.19 -2.55 1.95 0.00 -0.55 0.00 0.00 41.25 39.92 1wul s ASN 153 CO 0.58 -0.76 2.20 1.55 -2.79 0.00 0.00 177.10 177.88 1wul h PRO 154 N 8.26 0.00 -0.91 0.43 0.13 -1.94 0.67 132.00 138.64 1wul h PRO 154 Ca -0.35 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.98 1wul h PRO 154 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 1wul h PRO 154 CO 0.93 0.01 0.60 -0.92 -0.23 0.00 0.00 178.00 178.39 1wul h TYR 155 N 0.00 0.60 -0.00 1.56 3.20 -1.94 -1.48 116.97 118.91 1wul h TYR 155 Ca -0.00 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 1wul h TYR 155 Cb 0.22 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1wul h TYR 155 CO 0.00 0.16 -0.83 -0.91 -1.64 0.00 0.00 178.16 174.93 1wul h ASN 156 N 0.45 0.20 -0.01 -2.11 2.35 -1.25 -0.69 115.58 114.53 1wul h ASN 156 Ca 0.48 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 1wul h ASN 156 Cb 1.13 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1wul h ASN 156 CO -0.20 0.94 -0.02 0.25 -1.65 0.00 0.00 177.43 176.76 1wul h LEU 157 N 0.09 0.03 -0.76 1.61 5.85 -1.41 -2.33 115.31 118.38 1wul h LEU 157 Ca -0.03 -0.58 -0.04 0.00 0.84 0.00 0.00 57.88 58.07 1wul h LEU 157 Cb 1.45 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 1wul h LEU 157 CO 0.12 0.60 0.33 0.58 -0.34 0.00 0.00 178.44 179.74 1wul h VAL 158 N -0.54 1.25 -0.77 1.05 2.07 -1.32 -0.39 116.25 117.59 1wul h VAL 158 Ca 0.00 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1wul h VAL 158 Cb 0.60 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1wul h VAL 158 CO 0.00 0.31 0.43 1.23 0.02 0.00 0.00 177.57 179.56 1wul h GLY 159 N 1.09 1.14 0.81 2.17 0.00 -1.17 0.11 103.07 107.21 1wul h GLY 159 Ca 0.26 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1wul h GLY 159 CO -0.03 0.49 -0.22 -0.84 0.00 0.00 0.00 176.54 175.94 1wul h THR 160 N 1.08 1.34 -0.33 4.70 2.02 -0.93 -1.54 112.91 119.25 1wul h THR 160 Ca 0.27 -1.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 1wul h THR 160 Cb 0.02 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1wul h THR 160 CO -0.05 0.42 0.20 0.40 0.37 0.00 0.00 175.52 176.87 1wul h ILE 161 N 0.11 1.11 -0.76 3.11 2.04 -0.77 -1.19 117.51 121.16 1wul h ILE 161 Ca 0.02 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1wul h ILE 161 Cb 0.78 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 1wul h ILE 161 CO 0.05 0.11 0.48 0.58 0.00 0.00 0.00 178.15 179.37 1wul h VAL 162 N 0.43 1.11 -0.27 1.67 2.07 -0.77 0.97 116.25 121.47 1wul h VAL 162 Ca 0.12 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1wul h VAL 162 Cb 0.00 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 1wul h VAL 162 CO -0.02 0.17 0.14 0.22 0.02 0.00 0.00 177.57 178.10 1wul h TYR 163 N 0.94 0.27 -0.59 1.57 5.03 -0.95 -0.52 116.97 122.71 1wul h TYR 163 Ca 0.30 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.61 1wul h TYR 163 Cb 0.02 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.19 1wul h TYR 163 CO -0.03 0.15 0.33 -0.92 -1.32 0.00 0.00 178.16 176.37 1wul h TYR 164 N 0.30 0.81 -0.11 -3.82 3.20 -0.53 0.26 116.97 117.08 1wul h TYR 164 Ca 0.11 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 1wul h TYR 164 Cb 0.02 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1wul h TYR 164 CO -0.09 0.58 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.56 1wul h LEU 165 N 0.80 0.23 -0.00 2.82 3.38 -0.46 0.42 115.31 122.50 1wul h LEU 165 Ca 0.21 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1wul h LEU 165 Cb 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1wul h LEU 165 CO -0.03 0.60 -0.00 0.50 0.09 0.00 0.00 178.44 179.59 1wul h LYS 166 N 0.19 0.00 0.00 1.13 3.64 -0.34 -3.37 116.57 117.82 1wul h LYS 166 Ca 0.02 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1wul h LYS 166 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1wul h LYS 166 CO 0.06 0.68 -1.38 0.09 -2.27 0.00 0.00 179.45 176.63 1wul n ASN 167 N -4.76 0.52 -0.96 4.20 3.02 0.85 -4.95 115.26 113.18 1wul n ASN 167 Ca -0.09 -0.39 -0.10 0.00 -0.03 0.00 0.00 54.58 53.97 1wul n ASN 167 Cb 0.34 1.30 -0.03 0.00 -0.61 0.00 0.00 39.78 40.78 1wul n ASN 167 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wul n LYS 168 N -1.93 -0.76 -3.49 3.52 4.01 0.15 -4.97 118.16 114.68 1wul n LYS 168 Ca 0.00 0.70 -0.11 0.00 -0.51 0.00 0.00 58.31 58.39 1wul n LYS 168 Cb 0.45 -4.70 -0.03 0.00 -0.51 0.00 0.00 35.03 30.25 1wul n LYS 168 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wul s ALA 169 N -2.44 -1.41 0.62 7.82 0.00 -1.24 -5.07 121.76 120.03 1wul s ALA 169 Ca 0.00 0.32 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 1wul s ALA 169 Cb 0.00 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 1wul s ALA 169 CO 0.00 -0.75 1.08 0.00 0.00 0.00 0.00 175.76 176.09 1wul s ALA 170 N -3.77 2.61 0.89 0.00 0.00 -1.26 -4.15 121.76 116.08 1wul s ALA 170 Ca 0.02 0.48 -0.14 0.00 0.00 0.00 0.00 51.96 52.32 1wul s ALA 170 Cb -0.00 -3.28 0.14 0.00 0.00 0.00 0.00 23.12 19.98 1wul s ALA 170 CO -0.12 -1.03 1.23 -1.25 0.00 0.00 0.00 175.76 174.60 1wul s PRO 171 N -4.06 1.32 0.14 0.00 0.04 -1.26 -4.96 135.00 126.21 1wul s PRO 171 Ca 0.65 -0.09 -0.35 0.00 0.04 0.00 0.00 61.00 61.26 1wul s PRO 171 Cb -0.18 -1.89 -0.15 0.00 0.04 0.00 0.00 34.50 32.31 1wul s PRO 171 CO 0.39 -2.01 1.44 -1.91 0.04 0.00 0.00 177.00 174.96 1wul n GLU 172 N -3.56 1.69 -4.55 4.56 2.13 -1.26 -4.91 120.64 114.75 1wul n GLU 172 Ca 0.11 0.61 -0.30 0.00 0.66 0.00 0.00 57.16 58.24 1wul n GLU 172 Cb 0.60 -2.30 -0.12 0.00 0.27 0.00 0.00 31.44 29.89 1wul n GLU 172 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wul s LEU 173 N 0.66 2.59 0.00 4.31 1.43 -1.26 -1.03 118.68 125.37 1wul s LEU 173 Ca 0.80 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 53.35 1wul s LEU 173 Cb -0.79 -1.49 0.07 0.00 0.03 0.00 0.00 46.19 44.01 1wul s LEU 173 CO 0.43 0.23 0.43 -0.90 0.23 0.00 0.00 176.35 176.77 1wul n ASP 174 N 1.30 0.07 0.01 2.29 5.68 0.55 -4.83 116.55 121.61 1wul n ASP 174 Ca -0.16 -1.18 0.10 0.00 -0.50 0.00 0.00 54.79 53.05 1wul n ASP 174 Cb 0.52 -0.33 0.44 0.00 -1.14 0.00 0.00 41.12 40.61 1wul n ASP 174 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1wul n SER 175 N -3.26 0.03 -1.59 -1.12 3.41 -1.26 -0.96 113.62 108.86 1wul n SER 175 Ca 0.06 0.51 0.09 0.00 -0.26 0.00 0.00 58.87 59.26 1wul n SER 175 Cb 0.19 -0.51 0.36 0.00 -0.26 0.00 0.00 64.21 63.99 1wul n SER 175 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wul n LEU 176 N -1.53 4.87 -1.86 1.04 4.77 -1.26 -4.95 117.00 118.08 1wul n LEU 176 Ca 0.05 -2.55 -0.17 0.00 -0.03 0.00 0.00 56.01 53.31 1wul n LEU 176 Cb 0.24 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1wul n LEU 176 CO 0.19 0.77 -0.21 -3.20 -1.33 0.00 0.00 177.39 173.62 1wul n ASN 177 N 0.95 -5.03 -4.86 -1.43 5.15 -0.14 -4.69 115.26 105.21 1wul n ASN 177 Ca 0.26 0.04 -0.36 0.00 -0.60 0.00 0.00 54.58 53.92 1wul n ASN 177 Cb 0.94 -4.11 -0.06 0.00 -0.53 0.00 0.00 39.78 36.01 1wul n ASN 177 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1wul s ARG 178 N -4.66 3.39 0.15 1.20 0.52 -1.25 -0.92 118.95 117.37 1wul s ARG 178 Ca 0.00 -0.18 -0.32 0.00 -0.52 0.00 0.00 55.73 54.71 1wul s ARG 178 Cb 0.00 -3.13 -0.11 0.00 0.52 0.00 0.00 34.95 32.22 1wul s ARG 178 CO 0.00 0.76 1.80 -2.30 0.02 0.00 0.00 175.30 175.58 1wul n PRO 179 N 1.87 2.79 0.28 3.54 -0.02 -1.26 -0.33 135.00 141.86 1wul n PRO 179 Ca -0.19 1.01 0.18 0.00 -2.02 0.00 0.00 63.50 62.48 1wul n PRO 179 Cb 0.55 -2.89 0.82 0.00 -0.02 0.00 0.00 33.50 31.95 1wul n PRO 179 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1wul h THR 180 N 4.38 0.00 0.00 3.45 1.35 -1.40 -0.89 112.91 119.79 1wul h THR 180 Ca -0.45 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1wul h THR 180 Cb 1.22 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1wul h THR 180 CO 0.95 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.22 1wul h MET 181 N 0.00 0.00 0.00 4.72 -0.00 -1.89 -2.36 114.93 115.40 1wul h MET 181 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1wul h MET 181 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.93 1wul h MET 181 CO 0.00 0.00 -0.97 1.19 -0.00 0.00 0.00 176.91 177.13 1wul n PHE 182 N -2.38 0.00 -0.77 -0.10 3.72 -0.78 -4.78 117.46 112.37 1wul n PHE 182 Ca 0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.49 1wul n PHE 182 Cb 0.22 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.98 1wul n PHE 182 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1wul n PHE 183 N -1.95 0.78 0.56 1.38 3.72 -0.41 -3.34 117.46 118.20 1wul n PHE 183 Ca 0.00 -0.78 0.13 0.00 -0.05 0.00 0.00 57.45 56.75 1wul n PHE 183 Cb 0.48 -0.23 0.44 0.00 -0.94 0.00 0.00 39.48 39.22 1wul n PHE 183 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wul n GLY 184 N -0.26 -1.56 3.25 1.37 0.00 -0.89 -4.58 105.19 102.52 1wul n GLY 184 Ca 0.18 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1wul n GLY 184 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wul s GLN 185 N -3.17 1.19 0.60 1.61 -0.21 -1.26 -5.08 119.66 113.35 1wul s GLN 185 Ca 0.09 -1.03 -0.18 0.00 0.02 0.00 0.00 55.36 54.26 1wul s GLN 185 Cb 0.12 -1.37 -0.03 0.00 1.00 0.00 0.00 33.01 32.73 1wul s GLN 185 CO 0.53 0.33 1.15 0.95 -2.12 0.00 0.00 175.29 176.13 1wul s THR 186 N -1.00 2.97 0.24 -0.19 -4.23 -1.26 -2.61 115.64 109.56 1wul s THR 186 Ca 0.06 0.55 -0.05 0.00 -1.18 0.00 0.00 61.69 61.07 1wul s THR 186 Cb -0.09 -3.16 0.19 0.00 1.34 0.00 0.00 72.50 70.78 1wul s THR 186 CO 0.03 -0.18 1.78 0.58 -0.54 0.00 0.00 174.62 176.29 1wul h VAL 187 N 0.72 0.84 -0.94 2.29 2.07 -0.75 -2.96 116.25 117.52 1wul h VAL 187 Ca -0.49 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 66.84 1wul h VAL 187 Cb 1.27 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1wul h VAL 187 CO 0.55 0.12 0.61 -0.74 0.02 0.00 0.00 177.57 178.13 1wul h HIS 188 N 0.64 1.15 0.00 1.57 -0.00 -1.72 -1.64 115.15 115.16 1wul h HIS 188 Ca 0.38 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.78 1wul h HIS 188 Cb 0.41 -0.39 0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1wul h HIS 188 CO -0.10 0.68 0.00 -0.85 -0.00 0.00 0.00 177.93 177.66 1wul n GLU 189 N -4.48 0.21 -0.04 5.26 0.28 -1.12 -1.72 120.64 119.03 1wul n GLU 189 Ca 0.12 0.41 0.11 0.00 -0.16 0.00 0.00 57.16 57.64 1wul n GLU 189 Cb 0.07 -1.88 0.11 0.00 1.43 0.00 0.00 31.44 31.18 1wul n GLU 189 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1wul n GLN 190 N -2.26 2.14 -2.85 3.44 6.02 -0.66 -5.01 117.38 118.20 1wul n GLN 190 Ca 0.02 -1.90 -0.40 0.00 -0.01 0.00 0.00 57.00 54.71 1wul n GLN 190 Cb 0.25 -1.44 -0.05 0.00 1.02 0.00 0.00 30.24 30.02 1wul n GLN 190 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wul h PRO 192 N 4.82 0.00 -0.09 0.00 0.11 -1.92 -2.37 132.00 132.55 1wul h PRO 192 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1wul h PRO 192 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1wul h PRO 192 CO 0.69 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.02 1wul n ARG 193 N -2.69 1.66 -0.32 1.05 1.74 -1.26 -4.36 116.66 112.48 1wul n ARG 193 Ca -0.00 -0.97 0.09 0.00 -0.77 0.00 0.00 57.85 56.20 1wul n ARG 193 Cb 0.17 -1.44 0.30 0.00 -1.02 0.00 0.00 32.46 30.48 1wul n ARG 193 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1wul h LEU 194 N 2.15 0.81 -1.60 0.55 5.85 -1.72 0.96 115.31 122.31 1wul h LEU 194 Ca 0.00 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1wul h LEU 194 Cb 0.46 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1wul h LEU 194 CO 0.00 0.41 0.21 -0.65 -0.34 0.00 0.00 178.44 178.07 1wul h PRO 195 N 0.86 0.47 -0.40 5.25 0.11 -1.84 0.13 132.00 136.57 1wul h PRO 195 Ca 0.48 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.43 1wul h PRO 195 Cb 0.61 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1wul h PRO 195 CO -0.25 0.34 -0.22 0.45 -0.21 0.00 0.00 178.00 178.11 1wul h HIS 196 N 0.48 0.99 -0.19 0.65 3.86 -1.14 -2.31 115.15 117.49 1wul h HIS 196 Ca 0.13 -0.25 0.05 0.00 -1.16 0.00 0.00 60.37 59.14 1wul h HIS 196 Cb -0.01 -0.23 -0.07 0.00 1.06 0.00 0.00 27.41 28.17 1wul h HIS 196 CO 0.00 1.03 -0.26 0.35 0.86 0.00 0.00 177.93 179.91 1wul h PHE 197 N 0.67 -0.71 -0.70 2.45 3.04 -0.85 0.14 116.94 120.98 1wul h PHE 197 Ca 0.09 0.04 0.14 0.00 3.98 0.00 0.00 57.97 62.21 1wul h PHE 197 Cb 0.78 0.34 -0.04 0.00 2.56 0.00 0.00 35.95 39.59 1wul h PHE 197 CO 0.06 -0.34 0.47 -0.44 -2.02 0.00 0.00 178.31 176.04 1wul h ASP 198 N -0.30 0.33 -0.06 0.41 3.32 -0.60 -0.27 116.42 119.24 1wul h ASP 198 Ca 0.12 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1wul h ASP 198 Cb 0.48 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1wul h ASP 198 CO -0.36 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 177.34 1wul n ALA 199 N -2.54 2.56 -1.86 3.45 0.00 -0.60 -4.91 120.51 116.61 1wul n ALA 199 Ca 0.13 -0.48 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 1wul n ALA 199 Cb 0.51 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 1wul n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wul n GLY 200 N 1.17 0.47 3.39 0.00 0.00 -0.11 -4.97 105.19 105.13 1wul n GLY 200 Ca 0.18 -0.42 -0.45 0.00 0.00 0.00 0.00 46.02 45.32 1wul n GLY 200 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wul s GLU 201 N -3.93 3.52 -0.08 1.61 2.02 0.37 -5.02 118.70 117.18 1wul s GLU 201 Ca 0.00 -2.00 0.00 0.00 0.02 0.00 0.00 54.97 52.99 1wul s GLU 201 Cb 0.00 -4.60 -0.03 0.00 0.10 0.00 0.00 34.13 29.60 1wul s GLU 201 CO 0.00 -1.52 -0.07 -0.06 0.02 0.00 0.00 175.26 173.63 1wul s PHE 202 N 1.57 2.95 0.05 1.61 0.08 -1.26 -1.94 117.98 121.05 1wul s PHE 202 Ca 0.23 -0.04 -0.31 0.00 0.12 0.00 0.00 56.93 56.93 1wul s PHE 202 Cb -0.10 -1.75 -0.06 0.00 -0.57 0.00 0.00 43.02 40.54 1wul s PHE 202 CO -0.07 0.27 1.27 0.00 -0.10 0.00 0.00 175.22 176.59 1wul s ALA 203 N -0.61 3.47 -0.84 5.36 0.00 0.18 -4.87 121.76 124.44 1wul s ALA 203 Ca 0.09 0.89 0.26 0.00 0.00 0.00 0.00 51.96 53.21 1wul s ALA 203 Cb -0.12 -3.49 0.73 0.00 0.00 0.00 0.00 23.12 20.24 1wul s ALA 203 CO 0.02 -0.57 1.61 -0.35 0.00 0.00 0.00 175.76 176.47 1wul n PRO 204 N 4.24 0.14 -3.46 0.00 -0.04 -1.26 -4.42 135.00 130.19 1wul n PRO 204 Ca 0.10 0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.53 1wul n PRO 204 Cb 0.45 -1.62 -0.02 0.00 -0.04 0.00 0.00 33.50 32.27 1wul n PRO 204 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wul s SER 205 N -3.67 -0.49 0.40 3.54 1.04 -1.26 -4.94 113.70 108.31 1wul s SER 205 Ca 0.10 -0.03 0.19 0.00 0.48 0.00 0.00 55.95 56.70 1wul s SER 205 Cb 0.16 0.53 0.80 0.00 0.10 0.00 0.00 66.02 67.61 1wul s SER 205 CO 0.64 -0.87 1.80 -0.26 0.98 0.00 0.00 173.24 175.53 1wul h PHE 206 N 2.00 0.00 -0.00 5.02 0.04 -1.98 -2.94 116.94 119.09 1wul h PHE 206 Ca -0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.47 1wul h PHE 206 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1wul h PHE 206 CO 0.25 0.34 -0.10 -0.85 -0.60 0.00 0.00 178.31 177.34 1wul n GLU 207 N -3.66 0.14 -1.59 1.51 0.00 -1.26 -4.69 120.64 111.09 1wul n GLU 207 Ca -0.01 -0.03 -0.33 0.00 0.00 0.00 0.00 57.16 56.79 1wul n GLU 207 Cb 0.45 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.46 1wul n GLU 207 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1wul s SER 208 N -2.88 4.66 0.44 -1.84 1.04 -1.11 -4.89 113.70 109.12 1wul s SER 208 Ca 0.17 2.14 0.12 0.00 0.48 0.00 0.00 55.95 58.87 1wul s SER 208 Cb 0.19 -2.57 0.97 0.00 0.10 0.00 0.00 66.02 64.71 1wul s SER 208 CO 0.54 -1.94 2.00 -0.33 0.98 0.00 0.00 173.24 174.50 1wul h GLU 209 N -0.18 0.13 -0.66 4.02 4.39 -1.92 -1.74 114.58 118.63 1wul h GLU 209 Ca -0.47 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.17 1wul h GLU 209 Cb 1.27 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.86 1wul h GLU 209 CO 0.52 0.23 0.27 0.93 -1.16 0.00 0.00 179.01 179.80 1wul h GLU 210 N 0.13 0.98 -0.48 2.33 3.07 -1.92 0.06 114.58 118.75 1wul h GLU 210 Ca 0.03 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 58.70 1wul h GLU 210 Cb 0.24 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1wul h GLU 210 CO 0.01 0.81 0.22 0.00 -1.40 0.00 0.00 179.01 178.66 1wul h ALA 211 N 1.12 0.62 -0.99 3.43 0.00 -1.67 -0.46 119.26 121.31 1wul h ALA 211 Ca 0.22 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1wul h ALA 211 Cb 0.19 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 1wul h ALA 211 CO -0.02 0.19 0.63 -0.09 0.00 0.00 0.00 179.25 179.96 1wul h ARG 212 N 0.63 0.98 -0.00 0.00 2.43 -0.89 0.19 114.38 117.71 1wul h ARG 212 Ca 0.16 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1wul h ARG 212 Cb 0.13 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1wul h ARG 212 CO -0.02 0.65 -0.00 1.63 -1.51 0.00 0.00 179.97 180.72 1wul n LYS 213 N -4.58 0.70 -0.91 0.20 5.02 -0.03 -4.91 118.16 113.65 1wul n LYS 213 Ca 0.18 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1wul n LYS 213 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1wul n LYS 213 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wul n GLY 214 N 1.16 0.72 3.66 0.72 0.00 0.05 -5.06 105.19 106.44 1wul n GLY 214 Ca 0.19 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 1wul n GLY 214 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wul s TRP 215 N -2.00 2.03 0.44 1.61 0.52 -0.26 -4.86 118.94 116.43 1wul s TRP 215 Ca 0.00 1.16 -0.25 0.00 0.02 0.00 0.00 56.10 57.02 1wul s TRP 215 Cb 0.00 -3.20 -0.08 0.00 -1.15 0.00 0.00 33.47 29.04 1wul s TRP 215 CO 0.00 -2.87 1.41 0.00 0.02 0.00 0.00 176.95 175.50 1wul n LEU 217 N -0.16 3.90 -0.23 0.00 4.77 -1.26 -0.65 117.00 123.37 1wul n LEU 217 Ca 0.05 -1.95 -0.03 0.00 -0.03 0.00 0.00 56.01 54.04 1wul n LEU 217 Cb 0.42 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 41.10 1wul n LEU 217 CO 0.58 0.87 1.11 0.22 -1.33 0.00 0.00 177.39 178.84 1wul h TYR 218 N 3.94 0.73 0.00 -1.77 5.03 -1.91 -1.36 116.97 121.62 1wul h TYR 218 Ca 0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1wul h TYR 218 Cb 1.05 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.10 1wul h TYR 218 CO 0.54 0.40 0.00 1.49 -1.32 0.00 0.00 178.16 179.26 1wul h GLU 219 N 0.75 0.00 -0.60 1.82 4.81 -1.82 -1.21 114.58 118.33 1wul h GLU 219 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1wul h GLU 219 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1wul h GLU 219 CO -0.13 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.43 1wul n LEU 220 N -2.73 3.26 0.00 1.64 4.77 -0.57 -4.59 117.00 118.78 1wul n LEU 220 Ca 0.01 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.34 1wul n LEU 220 Cb 0.26 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1wul n LEU 220 CO 0.23 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1wul n GLY 221 N 0.87 0.72 3.67 -0.72 0.00 -0.46 -4.34 105.19 104.92 1wul n GLY 221 Ca 0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.71 1wul n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wul n LYS 223 N 4.44 2.71 -0.30 0.00 4.76 -0.19 -4.52 118.16 125.06 1wul n LYS 223 Ca 0.19 -2.60 0.13 0.00 -2.87 0.00 0.00 58.31 53.16 1wul n LYS 223 Cb 0.27 -1.57 0.30 0.00 -1.84 0.00 0.00 35.03 32.19 1wul n LYS 223 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1wul h GLY 224 N 4.42 1.41 1.99 0.72 0.00 -1.89 -1.18 103.07 108.55 1wul h GLY 224 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1wul h GLY 224 CO 0.01 -0.35 0.00 -2.55 0.00 0.00 0.00 176.54 173.65 1wul h PRO 225 N 0.25 0.00 0.00 4.80 0.11 -1.94 -2.64 132.00 132.58 1wul h PRO 225 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1wul h PRO 225 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1wul h PRO 225 CO -0.63 0.00 -0.01 1.33 -0.21 0.00 0.00 178.00 178.48 1wul n VAL 226 N -2.99 1.54 -4.84 3.15 0.24 -0.47 -4.91 118.33 110.04 1wul n VAL 226 Ca -0.03 -1.78 -0.30 0.00 -2.04 0.00 0.00 64.34 60.19 1wul n VAL 226 Cb 0.07 0.03 -0.17 0.00 -1.47 0.00 0.00 33.84 32.30 1wul n VAL 226 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1wul s THR 227 N -2.17 1.74 -0.29 3.34 2.01 -1.07 -4.99 115.64 114.21 1wul s THR 227 Ca 0.21 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 1wul s THR 227 Cb 0.18 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1wul s THR 227 CO 0.02 0.49 0.22 -0.04 -0.69 0.00 0.00 174.62 174.61 1wul s MET 228 N 0.61 3.85 0.06 4.92 1.00 -1.26 -0.36 119.30 128.11 1wul s MET 228 Ca -0.14 -0.37 -0.28 0.00 0.00 0.00 0.00 55.69 54.91 1wul s MET 228 Cb -0.17 -3.69 0.09 0.00 0.00 0.00 0.00 34.83 31.06 1wul s MET 228 CO 0.04 -0.25 1.10 1.21 0.00 0.00 0.00 175.02 177.12 1wul s ASN 229 N 1.74 -0.14 -0.28 3.03 3.04 -1.07 -4.80 114.94 116.47 1wul s ASN 229 Ca 0.07 -0.25 0.11 0.00 0.04 0.00 0.00 52.86 52.83 1wul s ASN 229 Cb -0.16 0.33 0.53 0.00 -1.54 0.00 0.00 41.25 40.41 1wul s ASN 229 CO 0.11 -0.60 1.50 -0.46 -3.04 0.00 0.00 177.10 174.61 1wul n ASN 230 N -0.44 3.01 -0.17 -4.21 2.04 -1.21 -4.06 115.26 110.21 1wul n ASN 230 Ca -0.07 -3.55 -0.03 0.00 -0.44 0.00 0.00 54.58 50.50 1wul n ASN 230 Cb 0.62 -0.63 0.07 0.00 -2.53 0.00 0.00 39.78 37.30 1wul n ASN 230 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1wul h PRO 232 N 0.40 0.00 0.00 0.00 0.11 -1.87 0.98 132.00 131.62 1wul h PRO 232 Ca 0.25 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.27 1wul h PRO 232 Cb 0.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1wul h PRO 232 CO -0.23 0.00 -0.58 -0.22 -0.21 0.00 0.00 178.00 176.76 1wul h LYS 233 N 0.00 0.00 0.02 1.05 3.64 -1.65 -3.40 116.57 116.23 1wul h LYS 233 Ca 0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1wul h LYS 233 Cb 0.52 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 1wul h LYS 233 CO 0.00 0.63 -1.64 0.82 -2.27 0.00 0.00 179.45 176.99 1wul h ILE 234 N -1.00 0.95 -2.99 2.00 1.08 -1.32 -3.51 117.51 112.72 1wul h ILE 234 Ca -0.13 -2.76 0.37 0.00 -0.39 0.00 0.00 64.86 61.94 1wul h ILE 234 Cb 0.85 2.50 -0.09 0.00 -3.07 0.00 0.00 36.82 37.01 1wul h ILE 234 CO -0.08 0.60 -0.49 0.29 -0.69 0.00 0.00 178.15 177.78 1wul n LYS 235 N -3.14 -2.71 -4.88 2.37 5.02 0.34 -4.69 118.16 110.47 1wul n LYS 235 Ca -0.16 1.79 -0.32 0.00 -2.02 0.00 0.00 58.31 57.60 1wul n LYS 235 Cb 1.04 -3.30 -0.13 0.00 -0.02 0.00 0.00 35.03 32.61 1wul n LYS 235 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1wul s PHE 236 N -2.14 2.62 -1.45 2.13 0.08 0.90 -4.66 117.98 115.46 1wul s PHE 236 Ca 0.00 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 56.83 1wul s PHE 236 Cb 0.00 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 1wul s PHE 236 CO 0.00 0.18 0.00 0.09 -0.10 0.00 0.00 175.22 175.39 1wul n ASN 237 N 2.10 -4.78 -1.68 1.36 4.13 -1.26 -0.88 115.26 114.25 1wul n ASN 237 Ca -0.17 0.14 -0.18 0.00 1.68 0.00 0.00 54.58 56.05 1wul n ASN 237 Cb 0.52 -4.06 -0.05 0.00 -1.54 0.00 0.00 39.78 34.65 1wul n ASN 237 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wul n GLN 238 N -2.79 -1.35 0.00 3.52 3.00 -1.26 -4.74 117.38 113.76 1wul n GLN 238 Ca -0.19 1.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 1wul n GLN 238 Cb 0.63 -5.41 0.00 0.00 0.00 0.00 0.00 30.24 25.46 1wul n GLN 238 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1wul n THR 239 N -3.09 0.00 -3.90 5.09 5.66 -0.06 -5.11 114.28 112.88 1wul n THR 239 Ca -0.20 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.72 1wul n THR 239 Cb 0.63 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.39 1wul n THR 239 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1wul s ASN 240 N -0.48 -0.11 0.17 1.09 3.84 -0.79 -4.94 114.94 113.72 1wul s ASN 240 Ca 0.00 -0.83 -0.18 0.00 0.21 0.00 0.00 52.86 52.06 1wul s ASN 240 Cb 0.00 0.71 0.03 0.00 -0.55 0.00 0.00 41.25 41.45 1wul s ASN 240 CO 0.00 -1.36 0.49 -1.66 -2.79 0.00 0.00 177.10 171.79 1wul s TRP 241 N -3.61 -0.18 0.19 0.43 1.48 -1.26 -0.07 118.94 115.92 1wul s TRP 241 Ca 0.16 -0.14 -0.18 0.00 -1.06 0.00 0.00 56.10 54.88 1wul s TRP 241 Cb -0.04 0.37 0.16 0.00 -1.16 0.00 0.00 33.47 32.80 1wul s TRP 241 CO 0.09 -0.85 1.60 -1.35 -4.06 0.00 0.00 176.95 172.39 1wul h PRO 242 N 2.23 -0.11 -0.15 3.25 0.11 -1.95 -1.83 132.00 133.55 1wul h PRO 242 Ca -0.31 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.71 1wul h PRO 242 Cb 1.27 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1wul h PRO 242 CO 0.40 -0.07 -0.33 0.28 -0.21 0.00 0.00 178.00 178.07 1wul h VAL 243 N -0.11 1.28 0.00 3.15 2.07 -1.87 -0.68 116.25 120.09 1wul h VAL 243 Ca 0.26 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1wul h VAL 243 Cb 0.52 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1wul h VAL 243 CO -0.65 0.41 0.00 0.44 0.02 0.00 0.00 177.57 177.79 1wul h ASP 244 N 0.26 0.00 -0.29 0.57 3.32 -1.66 0.53 116.42 119.14 1wul h ASP 244 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1wul h ASP 244 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1wul h ASP 244 CO 0.05 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 1wul n ALA 245 N -1.91 2.47 -0.53 3.45 0.00 -0.32 -4.93 120.51 118.74 1wul n ALA 245 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1wul n ALA 245 Cb 0.26 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1wul n ALA 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wul n GLY 246 N 1.13 0.75 3.46 0.00 0.00 0.18 -5.05 105.19 105.65 1wul n GLY 246 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1wul n GLY 246 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1wul s HIS 247 N -2.40 2.66 0.63 1.61 5.65 -0.86 -4.99 115.29 117.59 1wul s HIS 247 Ca 0.00 -0.19 -0.18 0.00 0.25 0.00 0.00 55.06 54.94 1wul s HIS 247 Cb 0.00 -1.60 -0.02 0.00 -1.18 0.00 0.00 32.58 29.78 1wul s HIS 247 CO 0.00 0.17 1.22 -0.35 -0.65 0.00 0.00 174.74 175.14 1wul n PRO 248 N 2.24 1.10 -1.87 2.88 -0.04 -1.26 -3.00 135.00 135.05 1wul n PRO 248 Ca -0.17 0.43 -0.41 0.00 -0.04 0.00 0.00 63.50 63.31 1wul n PRO 248 Cb 0.52 -2.45 -0.01 0.00 -0.04 0.00 0.00 33.50 31.52 1wul n PRO 248 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wul n ILE 250 N 1.23 0.72 -1.48 0.00 -5.35 -1.26 -1.02 119.36 112.20 1wul n ILE 250 Ca 0.04 -0.86 0.00 0.00 -0.27 0.00 0.00 62.75 61.65 1wul n ILE 250 Cb 0.39 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 1wul n ILE 250 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wul n GLY 251 N 1.01 0.66 0.00 3.28 0.00 -1.26 -4.86 105.19 104.02 1wul n GLY 251 Ca 0.15 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.55 1wul n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wul n SER 253 N -1.36 3.63 -4.77 0.00 3.41 -1.26 -3.61 113.62 109.65 1wul n SER 253 Ca 0.10 -2.04 -0.32 0.00 -0.26 0.00 0.00 58.87 56.35 1wul n SER 253 Cb 0.23 -0.45 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 1wul n SER 253 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1wul s GLU 254 N -1.19 2.96 0.44 4.33 0.41 -0.70 -4.50 118.70 120.45 1wul s GLU 254 Ca 0.44 -0.59 -0.26 0.00 -0.41 0.00 0.00 54.97 54.15 1wul s GLU 254 Cb 0.24 -2.78 -0.09 0.00 -1.78 0.00 0.00 34.13 29.71 1wul s GLU 254 CO 0.29 0.60 1.42 -0.35 -0.49 0.00 0.00 175.26 176.73 1wul n PRO 255 N 0.82 2.24 -1.97 0.39 -0.04 -1.26 -2.68 135.00 132.50 1wul n PRO 255 Ca -0.11 0.80 -0.20 0.00 -0.04 0.00 0.00 63.50 63.95 1wul n PRO 255 Cb 0.52 -2.60 -0.05 0.00 -0.04 0.00 0.00 33.50 31.33 1wul n PRO 255 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wul n ASP 256 N -0.07 -5.57 0.19 3.54 4.64 -1.26 -4.84 116.55 113.18 1wul n ASP 256 Ca 0.05 0.25 0.04 0.00 -1.38 0.00 0.00 54.79 53.74 1wul n ASP 256 Cb 0.41 -4.72 0.37 0.00 -1.04 0.00 0.00 41.12 36.14 1wul n ASP 256 CO 0.00 0.00 0.00 2.19 -0.82 0.00 0.00 177.20 178.57 1wul h PHE 257 N 0.00 0.00 -0.53 -0.67 -5.15 -1.81 0.19 116.94 108.97 1wul h PHE 257 Ca -0.44 0.00 0.11 0.00 -0.20 0.00 0.00 57.97 57.44 1wul h PHE 257 Cb 1.33 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.47 1wul h PHE 257 CO 0.55 0.38 0.36 -1.49 -2.00 0.00 0.00 178.31 176.11 1wul h TRP 258 N 0.00 0.26 0.00 6.09 4.06 -1.88 0.21 115.95 124.70 1wul h TRP 258 Ca -0.00 0.01 -0.34 0.00 2.06 0.00 0.00 58.89 60.62 1wul h TRP 258 Cb 0.73 -0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 28.74 1wul h TRP 258 CO 0.00 0.12 -2.27 -0.25 -3.56 0.00 0.00 178.44 172.48 1wul n ASP 259 N -4.45 1.13 0.12 -3.49 8.00 -0.41 -4.21 116.55 113.25 1wul n ASP 259 Ca 0.09 -0.05 -0.02 0.00 0.71 0.00 0.00 54.79 55.52 1wul n ASP 259 Cb 0.43 0.47 0.12 0.00 -0.02 0.00 0.00 41.12 42.12 1wul n ASP 259 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wul h ALA 260 N 0.57 0.84 -0.02 2.24 0.00 -0.49 -3.28 119.26 119.12 1wul h ALA 260 Ca -0.50 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1wul h ALA 260 Cb 2.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1wul h ALA 260 CO -0.01 0.85 -0.03 -1.33 0.00 0.00 0.00 179.25 178.72 1wul n MET 261 N -3.67 1.81 -3.56 0.00 2.81 0.05 -4.93 117.12 109.63 1wul n MET 261 Ca -0.01 -1.66 -0.29 0.00 -1.81 0.00 0.00 57.70 53.93 1wul n MET 261 Cb 0.68 -1.39 -0.04 0.00 -0.71 0.00 0.00 33.22 31.76 1wul n MET 261 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1wul s THR 262 N -1.75 5.12 0.31 2.03 -4.23 -1.24 -3.68 115.64 112.20 1wul s THR 262 Ca 0.23 -0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.41 1wul s THR 262 Cb 0.17 -3.69 -0.11 0.00 1.34 0.00 0.00 72.50 70.22 1wul s THR 262 CO 0.27 -0.14 1.45 -2.84 -0.54 0.00 0.00 174.62 172.83 1wul s PRO 263 N -3.12 4.21 0.57 3.99 0.02 -1.26 -5.00 135.00 134.41 1wul s PRO 263 Ca 0.42 2.41 0.34 0.00 0.02 0.00 0.00 61.00 64.19 1wul s PRO 263 Cb -0.11 -3.04 1.62 0.00 0.02 0.00 0.00 34.50 32.98 1wul s PRO 263 CO 0.27 -0.44 2.09 0.74 -0.33 0.00 0.00 177.00 179.33 1wul h PHE 264 N 4.05 0.00 -0.51 6.54 0.04 -1.93 -2.74 116.94 122.39 1wul h PHE 264 Ca -0.48 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.25 1wul h PHE 264 Cb 1.23 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.35 1wul h PHE 264 CO 0.57 0.04 0.04 0.66 -0.60 0.00 0.00 178.31 179.02 1wul n TYR 265 N -3.22 1.83 -4.70 -0.55 4.01 -1.26 -4.32 117.16 108.94 1wul n TYR 265 Ca -0.01 -0.87 -0.29 0.00 -0.16 0.00 0.00 57.90 56.58 1wul n TYR 265 Cb 0.24 -0.49 -0.14 0.00 -0.31 0.00 0.00 39.34 38.64 1wul n TYR 265 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1wul s GLN 266 N -2.84 1.59 0.00 -0.72 -0.21 -1.03 -3.89 119.66 112.55 1wul s GLN 266 Ca 0.51 -1.14 0.00 0.00 0.02 0.00 0.00 55.36 54.75 1wul s GLN 266 Cb 0.40 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.58 1wul s GLN 266 CO 0.13 0.46 0.25 0.09 -2.12 0.00 0.00 175.29 174.11