#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpg s GLU 2 N 0.00 3.58 -1.38 2.12 0.41 -1.26 -4.26 118.70 117.91 1wpg s GLU 2 Ca 0.00 0.21 -0.02 0.00 -0.41 0.00 0.00 54.97 54.75 1wpg s GLU 2 Cb 0.00 -2.41 0.01 0.00 -1.78 0.00 0.00 34.13 29.95 1wpg s GLU 2 CO 0.00 -0.14 0.16 0.00 -0.49 0.00 0.00 175.26 174.79 1wpg n ALA 3 N -2.01 -0.80 0.05 5.21 0.00 -1.26 -4.85 120.51 116.84 1wpg n ALA 3 Ca 0.00 0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.66 1wpg n ALA 3 Cb 0.55 -2.25 0.50 0.00 0.00 0.00 0.00 19.45 18.24 1wpg n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpg h ALA 4 N 1.00 1.86 -0.04 0.00 0.00 -1.95 -1.91 119.26 118.21 1wpg h ALA 4 Ca -0.41 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1wpg h ALA 4 Cb 1.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1wpg h ALA 4 CO 0.48 0.10 -0.17 1.12 0.00 0.00 0.00 179.25 180.78 1wpg h HIS 5 N 0.38 0.06 -0.01 0.00 2.07 -1.90 -2.34 115.15 113.41 1wpg h HIS 5 Ca 0.14 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.65 1wpg h HIS 5 Cb 0.09 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.05 1wpg h HIS 5 CO -0.00 0.23 -0.18 -1.13 -3.07 0.00 0.00 177.93 173.78 1wpg n SER 6 N -4.31 0.73 -4.96 3.10 3.41 -0.73 -0.21 113.62 110.65 1wpg n SER 6 Ca -0.02 -0.71 -0.22 0.00 -0.26 0.00 0.00 58.87 57.66 1wpg n SER 6 Cb 0.25 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 1wpg n SER 6 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wpg s LYS 7 N -2.49 3.45 0.75 4.33 1.02 -0.88 -4.62 119.74 121.30 1wpg s LYS 7 Ca 0.27 -0.66 -0.10 0.00 0.02 0.00 0.00 55.97 55.49 1wpg s LYS 7 Cb 0.20 -2.85 0.06 0.00 -0.52 0.00 0.00 37.83 34.72 1wpg s LYS 7 CO 0.50 0.38 1.11 -1.54 -0.92 0.00 0.00 175.35 174.87 1wpg s SER 8 N -3.95 4.79 0.15 2.83 1.04 -1.26 -4.54 113.70 112.76 1wpg s SER 8 Ca 0.35 0.75 -0.16 0.00 0.48 0.00 0.00 55.95 57.38 1wpg s SER 8 Cb -0.09 -1.36 0.02 0.00 0.10 0.00 0.00 66.02 64.69 1wpg s SER 8 CO 0.30 -1.69 1.78 0.71 0.98 0.00 0.00 173.24 175.32 1wpg h THR 9 N -0.83 1.14 -0.42 2.02 1.35 -1.91 -2.39 112.91 111.86 1wpg h THR 9 Ca -0.45 -0.32 0.08 0.00 -0.55 0.00 0.00 66.41 65.17 1wpg h THR 9 Cb 1.31 0.56 -0.08 0.00 -1.73 0.00 0.00 68.15 68.21 1wpg h THR 9 CO 0.64 0.14 -0.10 -0.33 -0.25 0.00 0.00 175.52 175.62 1wpg h GLU 10 N 0.58 0.01 -0.89 4.72 3.07 -1.99 -1.18 114.58 118.90 1wpg h GLU 10 Ca 0.16 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 1wpg h GLU 10 Cb -0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 1wpg h GLU 10 CO -0.03 0.01 0.47 0.93 -1.40 0.00 0.00 179.01 178.99 1wpg h GLU 11 N 0.01 1.25 -0.34 2.33 5.08 -1.89 0.62 114.58 121.63 1wpg h GLU 11 Ca 0.20 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1wpg h GLU 11 Cb 0.31 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1wpg h GLU 11 CO -0.43 0.92 -0.14 0.00 -1.00 0.00 0.00 179.01 178.36 1wpg h LEU 13 N 0.54 0.54 -1.38 0.00 3.38 -0.77 -3.12 115.31 114.50 1wpg h LEU 13 Ca 0.09 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1wpg h LEU 13 Cb 0.56 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1wpg h LEU 13 CO 0.04 0.94 0.10 0.00 0.09 0.00 0.00 178.44 179.61 1wpg h ALA 14 N 0.61 1.50 -0.79 1.53 0.00 -0.57 0.68 119.26 122.23 1wpg h ALA 14 Ca 0.02 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1wpg h ALA 14 Cb 0.82 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1wpg h ALA 14 CO 0.06 0.37 0.51 -0.92 0.00 0.00 0.00 179.25 179.28 1wpg h TYR 15 N 0.51 0.87 -0.08 0.00 5.03 0.03 -2.42 116.97 120.91 1wpg h TYR 15 Ca 0.12 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.46 1wpg h TYR 15 Cb 0.18 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.17 1wpg h TYR 15 CO 0.01 0.47 0.00 1.19 -1.32 0.00 0.00 178.16 178.50 1wpg n PHE 16 N -4.48 0.09 -3.63 -3.82 3.01 -0.93 -5.01 117.46 102.69 1wpg n PHE 16 Ca 0.11 -0.06 -0.24 0.00 1.01 0.00 0.00 57.45 58.27 1wpg n PHE 16 Cb 0.20 -0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.71 1wpg n PHE 16 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wpg n GLY 17 N 0.95 -0.65 3.21 1.37 0.00 0.19 -5.00 105.19 105.27 1wpg n GLY 17 Ca 0.11 0.31 -0.19 0.00 0.00 0.00 0.00 46.02 46.24 1wpg n GLY 17 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wpg s VAL 18 N -3.58 1.28 -0.06 1.61 -7.23 -0.97 -5.04 120.40 106.42 1wpg s VAL 18 Ca 0.23 -1.50 -0.04 0.00 -1.81 0.00 0.00 61.98 58.86 1wpg s VAL 18 Cb -0.06 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 1wpg s VAL 18 CO 0.82 -0.27 0.14 -0.94 -0.31 0.00 0.00 175.10 174.54 1wpg s SER 19 N -2.03 6.22 0.38 4.85 1.04 -1.26 -4.70 113.70 118.20 1wpg s SER 19 Ca 0.03 0.36 0.28 0.00 0.48 0.00 0.00 55.95 57.11 1wpg s SER 19 Cb -0.08 -1.95 1.09 0.00 0.10 0.00 0.00 66.02 65.18 1wpg s SER 19 CO 0.03 0.34 1.82 -0.08 0.98 0.00 0.00 173.24 176.33 1wpg h GLU 20 N 4.45 0.00 0.00 4.02 4.81 -1.98 0.04 114.58 125.91 1wpg h GLU 20 Ca -0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1wpg h GLU 20 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1wpg h GLU 20 CO 0.62 0.00 -1.16 2.41 -0.73 0.00 0.00 179.01 180.16 1wpg n THR 21 N -2.63 0.39 0.00 0.32 -1.04 -1.26 -4.66 114.28 105.40 1wpg n THR 21 Ca 0.02 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 1wpg n THR 21 Cb 0.29 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 1wpg n THR 21 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1wpg n THR 22 N -2.41 0.00 -1.16 12.58 -2.24 -1.14 -5.04 114.28 114.87 1wpg n THR 22 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wpg n THR 22 Cb 0.52 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1wpg n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpg n GLY 23 N 3.01 -2.11 3.77 3.38 0.00 -0.01 -2.95 105.19 110.28 1wpg n GLY 23 Ca 0.00 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 1wpg n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wpg s LEU 24 N 0.00 4.07 0.44 0.99 1.43 -1.25 -4.13 118.68 120.22 1wpg s LEU 24 Ca 0.00 2.33 -0.08 0.00 -1.03 0.00 0.00 54.13 55.35 1wpg s LEU 24 Cb 0.00 -4.17 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 1wpg s LEU 24 CO 0.00 -0.85 0.77 0.42 0.23 0.00 0.00 176.35 176.92 1wpg s THR 25 N -1.50 4.85 0.41 5.49 -4.23 -1.26 0.28 115.64 119.69 1wpg s THR 25 Ca 0.62 0.41 0.17 0.00 -1.18 0.00 0.00 61.69 61.71 1wpg s THR 25 Cb -0.30 -3.79 0.38 0.00 1.34 0.00 0.00 72.50 70.13 1wpg s THR 25 CO 0.36 -0.66 1.85 1.55 -0.54 0.00 0.00 174.62 177.18 1wpg h PRO 26 N 0.81 0.41 -0.65 3.99 0.13 -1.96 0.71 132.00 135.44 1wpg h PRO 26 Ca -0.47 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1wpg h PRO 26 Cb 1.19 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1wpg h PRO 26 CO 0.63 0.27 0.06 -0.44 -0.23 0.00 0.00 178.00 178.29 1wpg h ASP 27 N 0.42 1.07 -0.43 1.44 3.32 -1.99 -1.74 116.42 118.50 1wpg h ASP 27 Ca 0.48 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1wpg h ASP 27 Cb 1.18 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 1wpg h ASP 27 CO -0.19 1.08 0.16 1.56 -1.72 0.00 0.00 179.24 180.14 1wpg h GLN 28 N 1.02 0.65 0.06 3.56 4.20 -1.27 -0.73 115.11 122.61 1wpg h GLN 28 Ca 0.19 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.79 1wpg h GLN 28 Cb 0.50 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1wpg h GLN 28 CO 0.02 0.61 -0.14 0.28 -0.67 0.00 0.00 178.83 178.94 1wpg h VAL 29 N 0.56 0.67 -0.45 -0.54 2.07 -1.10 0.39 116.25 117.85 1wpg h VAL 29 Ca 0.14 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 1wpg h VAL 29 Cb 0.21 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1wpg h VAL 29 CO -0.01 0.00 0.12 0.50 0.02 0.00 0.00 177.57 178.20 1wpg h LYS 30 N -0.26 0.26 0.56 1.57 3.64 -1.18 0.49 116.57 121.65 1wpg h LYS 30 Ca 0.03 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1wpg h LYS 30 Cb 0.29 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1wpg h LYS 30 CO -0.09 0.17 -0.28 -0.09 -2.27 0.00 0.00 179.45 176.88 1wpg h ARG 31 N 0.26 -0.75 -0.57 1.90 9.65 -0.60 -2.24 114.38 122.04 1wpg h ARG 31 Ca 0.22 0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 59.13 1wpg h ARG 31 Cb 0.26 0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.98 1wpg h ARG 31 CO -0.26 -0.50 0.25 0.45 2.80 0.00 0.00 179.97 182.71 1wpg h HIS 32 N -0.78 0.81 0.00 2.20 3.86 0.03 -1.51 115.15 119.77 1wpg h HIS 32 Ca -0.07 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1wpg h HIS 32 Cb 0.60 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1wpg h HIS 32 CO -0.05 0.61 0.00 1.25 0.86 0.00 0.00 177.93 180.60 1wpg h LEU 33 N 0.81 0.00 0.08 2.43 5.85 0.14 0.85 115.31 125.47 1wpg h LEU 33 Ca 0.20 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.58 1wpg h LEU 33 Cb 0.13 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1wpg h LEU 33 CO -0.02 0.00 -1.90 -0.62 -0.34 0.00 0.00 178.44 175.56 1wpg n GLU 34 N -2.57 0.71 0.13 1.25 1.02 -0.64 -2.91 120.64 117.64 1wpg n GLU 34 Ca 0.01 0.27 -0.24 0.00 -0.02 0.00 0.00 57.16 57.18 1wpg n GLU 34 Cb 0.22 -1.74 -0.15 0.00 -0.02 0.00 0.00 31.44 29.75 1wpg n GLU 34 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1wpg h LYS 35 N 0.05 0.52 0.00 3.49 3.64 -0.96 -3.38 116.57 119.93 1wpg h LYS 35 Ca -0.38 -0.87 0.00 0.00 -1.27 0.00 0.00 60.65 58.13 1wpg h LYS 35 Cb 2.03 0.32 0.00 0.00 -0.41 0.00 0.00 32.23 34.17 1wpg h LYS 35 CO 0.08 1.41 -1.04 0.66 -2.27 0.00 0.00 179.45 178.29 1wpg n TYR 36 N -3.79 0.00 -2.66 1.91 0.53 0.26 -5.10 117.16 108.31 1wpg n TYR 36 Ca -0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.72 1wpg n TYR 36 Cb 1.06 -0.05 0.00 0.00 -1.03 0.00 0.00 39.34 39.31 1wpg n TYR 36 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1wpg n GLY 37 N 1.45 -2.18 3.84 2.72 0.00 -1.14 -4.90 105.19 104.98 1wpg n GLY 37 Ca 0.03 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 1wpg n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wpg s HIS 38 N -0.27 3.53 -1.22 1.61 3.76 -1.26 -4.70 115.29 116.72 1wpg s HIS 38 Ca 0.00 1.23 -0.18 0.00 -0.15 0.00 0.00 55.06 55.96 1wpg s HIS 38 Cb 0.00 -2.52 -0.01 0.00 1.11 0.00 0.00 32.58 31.16 1wpg s HIS 38 CO 0.00 0.26 1.97 -1.71 -0.85 0.00 0.00 174.74 174.41 1wpg n ASN 39 N 0.29 3.78 -3.64 1.40 5.15 0.19 -4.34 115.26 118.09 1wpg n ASN 39 Ca -0.01 -2.81 -0.13 0.00 -0.60 0.00 0.00 54.58 51.04 1wpg n ASN 39 Cb 0.52 -1.59 -0.06 0.00 -0.53 0.00 0.00 39.78 38.12 1wpg n ASN 39 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1wpg s GLU 40 N 4.44 0.98 -0.13 1.20 -1.05 -1.26 -3.80 118.70 119.08 1wpg s GLU 40 Ca 0.55 -0.40 -0.20 0.00 -0.15 0.00 0.00 54.97 54.77 1wpg s GLU 40 Cb 0.09 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 34.18 1wpg s GLU 40 CO 0.04 -0.35 0.58 -0.51 0.95 0.00 0.00 175.26 175.97 1wpg s LEU 41 N -2.15 4.24 0.24 1.83 1.02 -1.26 -4.26 118.68 118.34 1wpg s LEU 41 Ca -0.04 0.90 -0.30 0.00 0.02 0.00 0.00 54.13 54.71 1wpg s LEU 41 Cb -0.00 -2.85 -0.10 0.00 0.02 0.00 0.00 46.19 43.26 1wpg s LEU 41 CO -0.04 -0.12 1.50 -2.84 0.02 0.00 0.00 176.35 174.87 1wpg s PRO 42 N 1.12 4.22 0.92 1.29 0.02 -1.26 -5.02 135.00 136.29 1wpg s PRO 42 Ca 0.29 2.38 -0.14 0.00 0.02 0.00 0.00 61.00 63.55 1wpg s PRO 42 Cb -0.16 -3.10 0.15 0.00 0.02 0.00 0.00 34.50 31.41 1wpg s PRO 42 CO 0.12 -0.51 1.19 0.00 -0.33 0.00 0.00 177.00 177.47 1wpg s ALA 43 N 0.27 2.05 0.34 -1.55 0.00 -1.26 -5.06 121.76 116.55 1wpg s ALA 43 Ca 0.63 -0.76 0.09 0.00 0.00 0.00 0.00 51.96 51.92 1wpg s ALA 43 Cb -0.44 -2.94 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1wpg s ALA 43 CO 0.41 -2.25 -0.09 -1.21 0.00 0.00 0.00 175.76 172.62 1wpg s GLU 44 N -5.53 1.80 0.09 0.00 2.02 -1.26 -5.14 118.70 110.67 1wpg s GLU 44 Ca 0.66 -1.92 -0.24 0.00 0.02 0.00 0.00 54.97 53.49 1wpg s GLU 44 Cb -0.11 -1.66 0.08 0.00 0.10 0.00 0.00 34.13 32.55 1wpg s GLU 44 CO 0.52 0.13 1.12 -0.85 0.02 0.00 0.00 175.26 176.20 1wpg n GLU 45 N -0.77 0.43 0.00 1.61 0.00 -1.26 -5.04 120.64 115.60 1wpg n GLU 45 Ca -0.05 -1.13 0.00 0.00 0.00 0.00 0.00 57.16 55.98 1wpg n GLU 45 Cb 0.63 1.63 0.00 0.00 0.00 0.00 0.00 31.44 33.71 1wpg n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wpg n GLY 46 N -0.79 -0.31 1.81 -1.84 0.00 -1.26 -5.00 105.19 97.80 1wpg n GLY 46 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1wpg n GLY 46 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wpg n LYS 47 N 0.00 1.27 -1.68 1.61 2.85 -1.26 -4.86 118.16 116.09 1wpg n LYS 47 Ca 0.00 -0.41 -0.45 0.00 -1.05 0.00 0.00 58.31 56.39 1wpg n LYS 47 Cb 0.00 -1.48 -0.04 0.00 -0.65 0.00 0.00 35.03 32.86 1wpg n LYS 47 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1wpg n SER 48 N 2.05 3.46 -0.19 -5.58 2.88 -1.26 -4.79 113.62 110.19 1wpg n SER 48 Ca 0.18 1.03 -0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1wpg n SER 48 Cb 0.60 -1.45 0.10 0.00 -0.75 0.00 0.00 64.21 62.71 1wpg n SER 48 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1wpg h LEU 49 N 7.38 0.11 -1.67 2.46 5.85 -1.99 0.21 115.31 127.65 1wpg h LEU 49 Ca -0.46 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1wpg h LEU 49 Cb 1.25 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1wpg h LEU 49 CO 0.92 0.07 0.00 0.79 -0.34 0.00 0.00 178.44 179.88 1wpg n TRP 50 N -5.06 0.00 0.02 1.25 7.02 -1.26 -2.87 117.44 116.53 1wpg n TRP 50 Ca 0.08 -0.29 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 1wpg n TRP 50 Cb 0.29 -0.18 0.00 0.00 -2.42 0.00 0.00 31.31 29.00 1wpg n TRP 50 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1wpg n GLU 51 N 0.41 0.00 0.26 -0.99 -0.58 0.48 -4.68 120.64 115.54 1wpg n GLU 51 Ca 0.00 0.00 0.18 0.00 -0.42 0.00 0.00 57.16 56.92 1wpg n GLU 51 Cb 0.36 -0.08 0.87 0.00 -0.57 0.00 0.00 31.44 32.02 1wpg n GLU 51 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1wpg h LEU 52 N 0.00 0.00 0.06 -4.62 8.10 -0.85 -1.60 115.31 116.39 1wpg h LEU 52 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.86 1wpg h LEU 52 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.37 1wpg h LEU 52 CO 0.00 0.00 -0.63 0.58 -4.11 0.00 0.00 178.44 174.28 1wpg h VAL 53 N 0.00 1.47 0.00 0.15 2.07 -1.76 -3.29 116.25 114.89 1wpg h VAL 53 Ca 0.00 -2.39 -0.00 0.00 0.82 0.00 0.00 66.70 65.13 1wpg h VAL 53 Cb 0.17 3.07 -0.00 0.00 -1.52 0.00 0.00 31.29 33.01 1wpg h VAL 53 CO 0.00 0.61 -0.01 0.40 0.02 0.00 0.00 177.57 178.59 1wpg h ILE 54 N -0.71 0.36 -0.22 4.57 2.04 -1.65 -1.45 117.51 120.45 1wpg h ILE 54 Ca -0.14 -0.08 -0.16 0.00 1.00 0.00 0.00 64.86 65.48 1wpg h ILE 54 Cb 1.35 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1wpg h ILE 54 CO 0.02 0.01 -0.52 -0.33 0.00 0.00 0.00 178.15 177.34 1wpg h GLU 55 N 0.00 0.63 0.00 2.37 5.08 -1.39 -2.91 114.58 118.36 1wpg h GLU 55 Ca -0.00 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1wpg h GLU 55 Cb 0.05 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1wpg h GLU 55 CO 0.00 1.00 -0.02 1.96 -1.00 0.00 0.00 179.01 180.95 1wpg h GLN 56 N 0.49 0.00 -0.56 2.33 1.08 -1.33 -1.29 115.11 115.83 1wpg h GLN 56 Ca 0.02 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.87 1wpg h GLN 56 Cb 1.07 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.29 1wpg h GLN 56 CO 0.10 0.02 -0.06 1.19 -0.95 0.00 0.00 178.83 179.14 1wpg n PHE 57 N -3.33 1.85 -0.04 2.96 3.72 -1.10 -4.52 117.46 116.99 1wpg n PHE 57 Ca -0.02 -1.96 0.01 0.00 -0.05 0.00 0.00 57.45 55.43 1wpg n PHE 57 Cb 0.13 -0.63 -0.16 0.00 -0.94 0.00 0.00 39.48 37.89 1wpg n PHE 57 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1wpg n GLU 58 N -1.02 0.67 -1.92 -1.08 2.13 -0.48 -4.76 120.64 114.18 1wpg n GLU 58 Ca 0.41 -0.08 -0.41 0.00 0.66 0.00 0.00 57.16 57.75 1wpg n GLU 58 Cb 1.01 -1.55 -0.01 0.00 0.27 0.00 0.00 31.44 31.16 1wpg n GLU 58 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1wpg s ASP 59 N -5.06 6.51 0.33 4.31 2.15 -1.26 -4.91 116.67 118.73 1wpg s ASP 59 Ca -0.08 2.90 0.01 0.00 0.43 0.00 0.00 52.55 55.81 1wpg s ASP 59 Cb 0.10 -2.66 0.57 0.00 -0.30 0.00 0.00 42.92 40.64 1wpg s ASP 59 CO 0.87 -0.75 1.96 0.25 -0.17 0.00 0.00 175.17 177.33 1wpg h LEU 60 N 3.37 0.82 -0.21 -1.34 5.85 -1.96 -2.32 115.31 119.53 1wpg h LEU 60 Ca -0.50 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.05 1wpg h LEU 60 Cb 1.23 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1wpg h LEU 60 CO 0.66 0.57 -0.49 -0.07 -0.34 0.00 0.00 178.44 178.77 1wpg h LEU 61 N 0.96 0.81 -1.67 2.25 3.38 -1.91 -2.79 115.31 116.34 1wpg h LEU 61 Ca 0.31 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1wpg h LEU 61 Cb 0.05 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1wpg h LEU 61 CO -0.09 1.22 -0.09 -0.37 0.09 0.00 0.00 178.44 179.20 1wpg h VAL 62 N 0.43 0.27 0.04 1.22 -1.51 -1.88 -2.45 116.25 112.38 1wpg h VAL 62 Ca -0.00 -0.61 -0.28 0.00 -1.23 0.00 0.00 66.70 64.58 1wpg h VAL 62 Cb 1.10 1.48 0.02 0.00 -2.13 0.00 0.00 31.29 31.76 1wpg h VAL 62 CO 0.11 0.08 -1.12 0.03 -1.23 0.00 0.00 177.57 175.45 1wpg h ARG 63 N 0.00 0.67 -0.89 5.19 3.08 -1.34 -1.53 114.38 119.56 1wpg h ARG 63 Ca -0.00 -0.78 0.00 0.00 0.07 0.00 0.00 59.98 59.27 1wpg h ARG 63 Cb 0.47 0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 1wpg h ARG 63 CO 0.01 1.34 0.56 0.82 -1.07 0.00 0.00 179.97 181.63 1wpg h ILE 64 N 0.35 1.24 0.00 2.04 1.08 -1.18 0.13 117.51 121.17 1wpg h ILE 64 Ca -0.15 -0.48 -0.08 0.00 -0.39 0.00 0.00 64.86 63.75 1wpg h ILE 64 Cb 1.78 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 1wpg h ILE 64 CO 0.22 0.24 -0.40 -0.07 -0.69 0.00 0.00 178.15 177.45 1wpg h LEU 65 N 1.21 0.00 -0.16 1.44 4.07 -1.45 0.60 115.31 121.02 1wpg h LEU 65 Ca 0.32 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.17 1wpg h LEU 65 Cb -0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.65 1wpg h LEU 65 CO -0.06 0.40 -0.32 0.25 -1.08 0.00 0.00 178.44 177.62 1wpg h LEU 66 N 0.00 0.56 0.19 1.67 5.85 -0.10 -0.89 115.31 122.58 1wpg h LEU 66 Ca -0.00 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 1wpg h LEU 66 Cb 0.95 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1wpg h LEU 66 CO 0.05 1.01 -0.09 0.25 -0.34 0.00 0.00 178.44 179.32 1wpg h LEU 67 N 0.12 -0.21 -0.50 2.25 5.85 -0.69 -2.61 115.31 119.52 1wpg h LEU 67 Ca 0.00 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.57 1wpg h LEU 67 Cb 0.92 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.91 1wpg h LEU 67 CO 0.07 0.16 -0.11 0.00 -0.34 0.00 0.00 178.44 178.22 1wpg h ALA 68 N 0.09 0.35 -0.48 1.25 0.00 -0.92 0.23 119.26 119.78 1wpg h ALA 68 Ca -0.03 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1wpg h ALA 68 Cb 0.45 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1wpg h ALA 68 CO 0.04 -0.44 0.32 0.00 0.00 0.00 0.00 179.25 179.17 1wpg h ALA 69 N 1.49 1.81 -0.00 0.00 0.00 -1.15 0.34 119.26 121.75 1wpg h ALA 69 Ca 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1wpg h ALA 69 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wpg h ALA 69 CO -0.50 0.13 -0.02 0.00 0.00 0.00 0.00 179.25 178.85 1wpg h ILE 71 N -0.63 1.04 0.00 0.00 2.04 -0.18 0.25 117.51 120.02 1wpg h ILE 71 Ca -0.00 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1wpg h ILE 71 Cb 0.69 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1wpg h ILE 71 CO 0.00 0.12 -0.25 -1.28 0.00 0.00 0.00 178.15 176.74 1wpg h SER 72 N 0.68 0.00 0.65 1.72 0.87 -0.28 -2.60 113.55 114.59 1wpg h SER 72 Ca 0.26 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.57 1wpg h SER 72 Cb 0.19 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1wpg h SER 72 CO -0.08 0.25 -1.14 0.15 -0.53 0.00 0.00 176.83 175.48 1wpg h PHE 73 N 0.00 0.42 -0.26 2.24 3.04 0.75 -2.81 116.94 120.32 1wpg h PHE 73 Ca -0.00 -0.29 -0.15 0.00 3.98 0.00 0.00 57.97 61.51 1wpg h PHE 73 Cb 0.82 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.30 1wpg h PHE 73 CO 0.00 1.20 -0.46 0.28 -2.02 0.00 0.00 178.31 177.31 1wpg h VAL 74 N 0.08 1.30 0.00 1.41 2.07 -1.04 -2.54 116.25 117.53 1wpg h VAL 74 Ca -0.10 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1wpg h VAL 74 Cb 1.86 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1wpg h VAL 74 CO 0.18 0.53 0.00 -0.07 0.02 0.00 0.00 177.57 178.23 1wpg h LEU 75 N 0.54 0.00 0.18 2.57 4.07 -1.50 -1.17 115.31 120.00 1wpg h LEU 75 Ca 0.03 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.69 1wpg h LEU 75 Cb 1.00 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.76 1wpg h LEU 75 CO 0.09 0.00 -1.36 0.00 -1.08 0.00 0.00 178.44 176.09 1wpg h ALA 76 N 2.17 -0.00 0.04 1.53 0.00 -1.18 -3.24 119.26 118.58 1wpg h ALA 76 Ca 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 54.91 53.92 1wpg h ALA 76 Cb 0.53 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1wpg h ALA 76 CO 0.00 0.87 -0.40 2.35 0.00 0.00 0.00 179.25 182.07 1wpg h TRP 77 N 0.10 0.32 0.00 0.00 2.91 -1.30 -3.22 115.95 114.76 1wpg h TRP 77 Ca -0.19 -0.20 0.00 0.00 1.13 0.00 0.00 58.89 59.62 1wpg h TRP 77 Cb 2.06 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 30.68 1wpg h TRP 77 CO 0.09 1.09 0.00 1.19 -1.03 0.00 0.00 178.44 179.78 1wpg n PHE 78 N -4.39 0.00 -4.05 2.65 3.01 -0.46 -4.84 117.46 109.39 1wpg n PHE 78 Ca -0.11 -0.91 -0.30 0.00 1.01 0.00 0.00 57.45 57.14 1wpg n PHE 78 Cb 0.61 -0.47 -0.06 0.00 -0.01 0.00 0.00 39.48 39.55 1wpg n PHE 78 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1wpg s GLU 79 N 0.08 2.88 0.66 -1.08 2.56 -1.22 -4.91 118.70 117.67 1wpg s GLU 79 Ca 0.00 -0.71 -0.18 0.00 0.00 0.00 0.00 54.97 54.08 1wpg s GLU 79 Cb 0.00 -2.72 -0.01 0.00 2.00 0.00 0.00 34.13 33.40 1wpg s GLU 79 CO 0.00 0.56 1.20 0.39 -0.56 0.00 0.00 175.26 176.85 1wpg n GLU 80 N 0.36 0.96 0.00 4.30 -0.58 -1.26 -4.85 120.64 119.57 1wpg n GLU 80 Ca -0.09 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1wpg n GLU 80 Cb 0.52 -2.44 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 1wpg n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wpg n GLY 81 N 0.98 0.25 0.36 0.62 0.00 -1.26 -3.95 105.19 102.19 1wpg n GLY 81 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 1wpg n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wpg h GLU 82 N 0.12 -0.85 -0.57 1.61 5.08 -2.04 -3.41 114.58 114.52 1wpg h GLU 82 Ca 0.00 0.06 -0.30 0.00 -1.00 0.00 0.00 59.36 58.12 1wpg h GLU 82 Cb 0.20 0.19 -0.27 0.00 0.50 0.00 0.00 28.75 29.38 1wpg h GLU 82 CO 0.00 -0.57 -0.76 0.39 -1.00 0.00 0.00 179.01 177.07 1wpg n GLU 83 N -4.46 1.13 0.00 2.33 1.02 -1.26 -4.94 120.64 114.46 1wpg n GLU 83 Ca -0.11 -2.51 0.00 0.00 -0.02 0.00 0.00 57.16 54.52 1wpg n GLU 83 Cb 0.35 -0.77 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 1wpg n GLU 83 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1wpg n THR 84 N -0.20 0.11 0.11 2.62 5.66 -1.25 -3.44 114.28 117.88 1wpg n THR 84 Ca 0.05 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.89 1wpg n THR 84 Cb 0.80 -0.47 -0.14 0.00 -1.55 0.00 0.00 70.33 68.97 1wpg n THR 84 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 1wpg h ILE 85 N 0.03 1.48 -0.94 1.09 6.09 -1.93 -3.36 117.51 119.96 1wpg h ILE 85 Ca 0.00 -3.04 -0.47 0.00 -1.37 0.00 0.00 64.86 59.98 1wpg h ILE 85 Cb 0.45 2.95 -0.42 0.00 0.47 0.00 0.00 36.82 40.28 1wpg h ILE 85 CO 0.00 0.89 -0.91 0.35 -3.07 0.00 0.00 178.15 175.41 1wpg n THR 86 N -3.55 2.02 -0.07 2.19 -2.24 -1.22 -4.75 114.28 106.67 1wpg n THR 86 Ca -0.09 -4.01 -0.07 0.00 -2.27 0.00 0.00 64.05 57.61 1wpg n THR 86 Cb 1.03 -0.45 -0.15 0.00 -2.10 0.00 0.00 70.33 68.66 1wpg n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wpg n ALA 87 N -0.53 1.63 1.93 6.98 0.00 -1.26 -4.14 120.51 125.12 1wpg n ALA 87 Ca 0.31 -1.11 0.02 0.00 0.00 0.00 0.00 53.44 52.65 1wpg n ALA 87 Cb 0.83 -0.40 0.08 0.00 0.00 0.00 0.00 19.45 19.95 1wpg n ALA 87 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wpg n PHE 88 N -2.77 0.03 0.45 0.00 3.01 -1.26 -4.00 117.46 112.92 1wpg n PHE 88 Ca -0.26 -0.01 -0.19 0.00 1.01 0.00 0.00 57.45 57.99 1wpg n PHE 88 Cb 1.07 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 40.45 1wpg n PHE 88 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1wpg h VAL 89 N 0.14 0.13 0.06 -4.37 2.07 -1.93 -1.99 116.25 110.36 1wpg h VAL 89 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1wpg h VAL 89 Cb 0.03 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 29.89 1wpg h VAL 89 CO 0.00 0.00 -0.36 -0.08 0.02 0.00 0.00 177.57 177.15 1wpg h GLU 90 N -1.15 -0.53 -0.74 1.57 4.81 -1.89 0.21 114.58 116.86 1wpg h GLU 90 Ca -0.11 0.04 0.20 0.00 -0.13 0.00 0.00 59.36 59.35 1wpg h GLU 90 Cb 0.89 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 1wpg h GLU 90 CO 0.17 -0.35 0.52 -1.35 -0.73 0.00 0.00 179.01 177.27 1wpg h PRO 91 N -0.55 0.12 0.10 0.92 0.11 -1.79 -1.86 132.00 129.06 1wpg h PRO 91 Ca 0.04 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.83 1wpg h PRO 91 Cb 0.61 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1wpg h PRO 91 CO -0.25 0.08 -1.65 0.74 -0.21 0.00 0.00 178.00 176.71 1wpg h PHE 92 N 0.12 0.40 -0.77 0.65 -1.00 -0.56 -3.02 116.94 112.76 1wpg h PHE 92 Ca 0.36 -0.29 -0.03 0.00 2.81 0.00 0.00 57.97 60.82 1wpg h PHE 92 Cb 1.24 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.75 1wpg h PHE 92 CO -0.00 1.41 0.38 0.28 -1.61 0.00 0.00 178.31 178.77 1wpg h VAL 93 N 0.06 1.24 0.22 -0.55 2.07 0.16 0.19 116.25 119.63 1wpg h VAL 93 Ca -0.29 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1wpg h VAL 93 Cb 2.02 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1wpg h VAL 93 CO 0.14 0.28 -0.10 0.40 0.02 0.00 0.00 177.57 178.30 1wpg h ILE 94 N 1.09 0.83 -0.60 4.57 2.04 -1.51 -1.81 117.51 122.12 1wpg h ILE 94 Ca 0.27 -0.83 0.10 0.00 1.00 0.00 0.00 64.86 65.40 1wpg h ILE 94 Cb 0.09 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1wpg h ILE 94 CO -0.04 0.17 0.40 0.25 0.00 0.00 0.00 178.15 178.94 1wpg h LEU 95 N -0.75 0.34 -0.12 1.44 5.85 -1.39 0.26 115.31 120.95 1wpg h LEU 95 Ca -0.03 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1wpg h LEU 95 Cb 0.50 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1wpg h LEU 95 CO 0.05 0.20 -0.03 0.25 -0.34 0.00 0.00 178.44 178.57 1wpg h LEU 96 N 0.38 0.23 -0.34 2.25 5.85 -0.54 -2.40 115.31 120.74 1wpg h LEU 96 Ca 0.28 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1wpg h LEU 96 Cb 0.59 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1wpg h LEU 96 CO -0.07 0.55 0.13 0.40 -0.34 0.00 0.00 178.44 179.11 1wpg h ILE 97 N -0.08 1.19 0.38 4.05 1.08 -0.35 -1.26 117.51 122.51 1wpg h ILE 97 Ca 0.03 -0.58 -0.00 0.00 -0.39 0.00 0.00 64.86 63.92 1wpg h ILE 97 Cb 0.44 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 1wpg h ILE 97 CO 0.01 0.20 -0.40 -0.07 -0.69 0.00 0.00 178.15 177.21 1wpg h LEU 98 N 0.40 -1.09 -2.60 1.44 4.07 -1.00 0.26 115.31 116.79 1wpg h LEU 98 Ca 0.11 0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.16 1wpg h LEU 98 Cb 0.19 0.37 -0.00 0.00 1.08 0.00 0.00 40.66 42.30 1wpg h LEU 98 CO -0.01 -0.54 -0.01 0.40 -1.08 0.00 0.00 178.44 177.20 1wpg h ILE 99 N -0.80 0.19 0.11 1.22 2.04 -1.42 0.10 117.51 118.95 1wpg h ILE 99 Ca -0.03 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1wpg h ILE 99 Cb 0.72 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1wpg h ILE 99 CO -0.08 0.01 -0.05 0.00 0.00 0.00 0.00 178.15 178.03 1wpg h ALA 100 N 1.99 -0.15 0.00 1.87 0.00 0.03 -0.68 119.26 122.31 1wpg h ALA 100 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wpg h ALA 100 Cb 0.09 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1wpg h ALA 100 CO 0.00 -0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.17 1wpg n ASN 101 N -4.85 0.61 -0.01 0.00 4.13 0.79 -2.34 115.26 113.60 1wpg n ASN 101 Ca -0.05 0.68 -0.21 0.00 1.68 0.00 0.00 54.58 56.67 1wpg n ASN 101 Cb 0.20 -0.80 -0.14 0.00 -1.54 0.00 0.00 39.78 37.50 1wpg n ASN 101 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wpg n ALA 102 N -1.76 0.89 0.22 5.41 0.00 0.32 -3.25 120.51 122.33 1wpg n ALA 102 Ca 0.01 -0.59 0.07 0.00 0.00 0.00 0.00 53.44 52.93 1wpg n ALA 102 Cb 0.18 -0.66 0.50 0.00 0.00 0.00 0.00 19.45 19.48 1wpg n ALA 102 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1wpg h ILE 103 N -0.03 0.97 0.01 0.00 2.10 -0.90 -2.05 117.51 117.62 1wpg h ILE 103 Ca -0.42 -0.95 -0.20 0.00 1.08 0.00 0.00 64.86 64.37 1wpg h ILE 103 Cb 1.96 1.55 -0.02 0.00 -1.09 0.00 0.00 36.82 39.22 1wpg h ILE 103 CO 0.06 0.25 -0.92 0.58 -1.08 0.00 0.00 178.15 177.04 1wpg h VAL 104 N 0.00 1.58 -0.15 2.19 2.07 -1.61 -3.08 116.25 117.25 1wpg h VAL 104 Ca -0.00 -2.91 -0.07 0.00 0.82 0.00 0.00 66.70 64.53 1wpg h VAL 104 Cb 0.52 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1wpg h VAL 104 CO 0.03 0.84 -0.23 1.23 0.02 0.00 0.00 177.57 179.46 1wpg h GLY 105 N 2.31 0.28 2.00 2.17 0.00 -1.35 -2.02 103.07 106.45 1wpg h GLY 105 Ca -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1wpg h GLY 105 CO 0.13 0.19 -0.07 -2.08 0.00 0.00 0.00 176.54 174.71 1wpg h VAL 106 N 0.23 0.13 -0.19 4.60 2.07 -1.48 -3.24 116.25 118.38 1wpg h VAL 106 Ca 0.04 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.41 1wpg h VAL 106 Cb 0.55 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1wpg h VAL 106 CO 0.04 0.07 -0.25 -0.25 0.02 0.00 0.00 177.57 177.19 1wpg h TRP 107 N 0.00 0.62 0.00 1.57 2.91 -1.28 0.51 115.95 120.27 1wpg h TRP 107 Ca -0.00 -0.20 -0.03 0.00 1.13 0.00 0.00 58.89 59.79 1wpg h TRP 107 Cb 0.94 -0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 29.46 1wpg h TRP 107 CO 0.00 0.90 -0.14 1.96 -1.03 0.00 0.00 178.44 180.12 1wpg h GLN 108 N 0.16 0.00 0.07 2.65 4.20 -1.58 -2.69 115.11 117.93 1wpg h GLN 108 Ca 0.02 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.36 1wpg h GLN 108 Cb 0.82 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.56 1wpg h GLN 108 CO 0.06 0.14 -2.20 0.39 -0.67 0.00 0.00 178.83 176.55 1wpg n GLU 109 N -3.32 0.71 -0.15 1.46 1.02 -1.20 -4.26 120.64 114.91 1wpg n GLU 109 Ca 0.00 0.21 -0.03 0.00 -0.02 0.00 0.00 57.16 57.32 1wpg n GLU 109 Cb 0.37 -1.63 0.18 0.00 -0.02 0.00 0.00 31.44 30.33 1wpg n GLU 109 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1wpg h ARG 110 N 0.04 0.87 -5.06 3.49 2.43 -0.94 -3.30 114.38 111.91 1wpg h ARG 110 Ca -0.49 -0.18 -0.72 0.00 -0.81 0.00 0.00 59.98 57.79 1wpg h ARG 110 Cb 1.98 -0.13 -0.15 0.00 -0.42 0.00 0.00 29.97 31.25 1wpg h ARG 110 CO 0.01 0.77 1.52 -0.80 -1.51 0.00 0.00 179.97 179.96 1wpg s ASN 111 N -6.56 6.97 -0.11 -3.80 0.01 -1.01 -4.91 114.94 105.53 1wpg s ASN 111 Ca -0.10 -2.76 -0.04 0.00 -0.71 0.00 0.00 52.86 49.24 1wpg s ASN 111 Cb 0.15 -2.45 0.06 0.00 0.41 0.00 0.00 41.25 39.42 1wpg s ASN 111 CO 0.81 -0.89 0.23 0.00 -1.51 0.00 0.00 177.10 175.74 1wpg s ALA 112 N 2.36 -0.44 0.18 0.60 0.00 -1.24 -4.87 121.76 118.34 1wpg s ALA 112 Ca 0.45 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 1wpg s ALA 112 Cb -0.01 -0.89 -0.08 0.00 0.00 0.00 0.00 23.12 22.14 1wpg s ALA 112 CO 0.01 -0.54 1.21 -1.21 0.00 0.00 0.00 175.76 175.23 1wpg s GLU 113 N 2.18 4.47 -0.11 0.00 2.02 -1.26 -4.99 118.70 121.00 1wpg s GLU 113 Ca -0.00 1.89 -0.25 0.00 0.02 0.00 0.00 54.97 56.63 1wpg s GLU 113 Cb -0.12 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 30.84 1wpg s GLU 113 CO -0.08 -0.12 0.79 1.21 0.02 0.00 0.00 175.26 177.08 1wpg s ASN 114 N 0.23 7.00 0.31 -0.19 2.47 -1.26 -4.93 114.94 118.57 1wpg s ASN 114 Ca 0.54 1.21 0.10 0.00 0.42 0.00 0.00 52.86 55.13 1wpg s ASN 114 Cb -0.33 -2.45 0.51 0.00 -1.45 0.00 0.00 41.25 37.54 1wpg s ASN 114 CO 0.36 -0.27 1.71 0.00 -3.72 0.00 0.00 177.10 175.18 1wpg h ALA 115 N 7.08 1.15 -0.58 1.71 0.00 -1.93 -2.95 119.26 123.75 1wpg h ALA 115 Ca -0.35 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.02 1wpg h ALA 115 Cb 1.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1wpg h ALA 115 CO 0.79 0.62 -0.01 0.82 0.00 0.00 0.00 179.25 181.47 1wpg h ILE 116 N 0.04 1.27 -0.36 0.00 1.08 -1.93 -1.11 117.51 116.49 1wpg h ILE 116 Ca -0.00 -1.15 0.02 0.00 -0.39 0.00 0.00 64.86 63.34 1wpg h ILE 116 Cb 0.88 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 35.45 1wpg h ILE 116 CO 0.07 0.41 0.20 -0.33 -0.69 0.00 0.00 178.15 177.81 1wpg h GLU 117 N 0.92 0.40 -0.41 2.37 5.08 -1.93 -0.37 114.58 120.63 1wpg h GLU 117 Ca 0.16 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1wpg h GLU 117 Cb 0.56 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1wpg h GLU 117 CO 0.03 0.26 0.06 0.00 -1.00 0.00 0.00 179.01 178.36 1wpg h ALA 118 N 1.17 1.33 -0.32 3.43 0.00 -1.43 -2.84 119.26 120.60 1wpg h ALA 118 Ca 0.15 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1wpg h ALA 118 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wpg h ALA 118 CO -0.08 0.47 -0.10 1.25 0.00 0.00 0.00 179.25 180.79 1wpg h LEU 119 N 0.61 0.64 0.00 0.00 5.85 -0.53 -2.81 115.31 119.06 1wpg h LEU 119 Ca 0.13 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1wpg h LEU 119 Cb 0.30 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1wpg h LEU 119 CO 0.00 0.87 0.00 0.29 -0.34 0.00 0.00 178.44 179.26 1wpg n LYS 120 N -4.43 0.02 0.00 1.25 5.02 -0.21 -1.01 118.16 118.80 1wpg n LYS 120 Ca -0.03 0.34 0.10 0.00 -2.02 0.00 0.00 58.31 56.70 1wpg n LYS 120 Cb 0.34 -1.50 0.44 0.00 -0.02 0.00 0.00 35.03 34.30 1wpg n LYS 120 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1wpg n GLU 121 N -1.37 0.06 -0.05 1.97 2.13 -1.06 -1.85 120.64 120.47 1wpg n GLU 121 Ca 0.01 0.14 0.12 0.00 0.66 0.00 0.00 57.16 58.09 1wpg n GLU 121 Cb 0.02 -1.50 0.31 0.00 0.27 0.00 0.00 31.44 30.54 1wpg n GLU 121 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1wpg n TYR 122 N -1.45 0.14 -3.27 4.31 4.02 -0.18 -4.80 117.16 115.92 1wpg n TYR 122 Ca 0.06 -0.07 -0.43 0.00 -0.01 0.00 0.00 57.90 57.45 1wpg n TYR 122 Cb 0.22 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.46 1wpg n TYR 122 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1wpg s GLU 123 N -1.86 3.24 0.52 -0.72 2.02 -0.77 -3.94 118.70 117.18 1wpg s GLU 123 Ca 0.34 -0.57 -0.22 0.00 0.02 0.00 0.00 54.97 54.54 1wpg s GLU 123 Cb 0.20 -3.93 -0.06 0.00 0.10 0.00 0.00 34.13 30.45 1wpg s GLU 123 CO 0.31 -0.83 1.29 -1.25 0.02 0.00 0.00 175.26 174.79 1wpg s PRO 124 N 2.31 3.34 0.02 0.39 0.04 -1.26 -4.95 135.00 134.89 1wpg s PRO 124 Ca 0.15 2.06 -0.20 0.00 0.04 0.00 0.00 61.00 63.05 1wpg s PRO 124 Cb -0.16 -2.29 -0.18 0.00 0.04 0.00 0.00 34.50 31.91 1wpg s PRO 124 CO 0.15 -0.97 1.23 1.05 0.04 0.00 0.00 177.00 178.49 1wpg h GLU 125 N 1.63 0.37 -6.19 4.56 4.11 -1.96 -3.40 114.58 113.69 1wpg h GLU 125 Ca -0.50 -0.27 -0.56 0.00 0.07 0.00 0.00 59.36 58.10 1wpg h GLU 125 Cb 1.28 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 1wpg h GLU 125 CO 0.58 0.89 -0.56 -1.64 0.07 0.00 0.00 179.01 178.35 1wpg s MET 126 N -3.81 2.91 0.16 1.06 -1.94 -1.26 0.15 119.30 116.56 1wpg s MET 126 Ca -0.14 -0.90 -0.05 0.00 -1.71 0.00 0.00 55.69 52.88 1wpg s MET 126 Cb 0.04 -2.63 -0.02 0.00 2.01 0.00 0.00 34.83 34.23 1wpg s MET 126 CO 0.77 0.47 0.19 0.20 -0.01 0.00 0.00 175.02 176.64 1wpg s GLY 127 N -3.25 0.74 -0.16 -0.03 0.00 0.82 -4.55 107.32 100.90 1wpg s GLY 127 Ca 0.31 -1.17 0.01 0.00 0.00 0.00 0.00 44.72 43.88 1wpg s GLY 127 CO 0.24 -1.07 -0.18 0.54 0.00 0.00 0.00 173.10 172.62 1wpg s LYS 128 N -4.01 3.10 0.18 2.90 1.02 -1.26 -1.42 119.74 120.25 1wpg s LYS 128 Ca 0.21 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.42 1wpg s LYS 128 Cb 0.05 -2.55 -0.05 0.00 -0.52 0.00 0.00 37.83 34.76 1wpg s LYS 128 CO 0.02 -0.04 -0.02 0.14 -0.92 0.00 0.00 175.35 174.53 1wpg s VAL 129 N 0.92 0.81 -0.25 3.17 -7.23 -0.45 -1.11 120.40 116.26 1wpg s VAL 129 Ca -0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1wpg s VAL 129 Cb -0.15 -2.10 0.04 0.00 0.56 0.00 0.00 36.38 34.73 1wpg s VAL 129 CO -0.03 -0.50 -0.08 -0.31 -0.31 0.00 0.00 175.10 173.86 1wpg s TYR 130 N -3.57 3.12 0.33 2.82 1.51 0.02 -0.54 117.35 121.04 1wpg s TYR 130 Ca 0.23 -1.86 0.08 0.00 -1.01 0.00 0.00 57.07 54.51 1wpg s TYR 130 Cb 0.05 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1wpg s TYR 130 CO 0.04 -0.80 0.13 1.03 -1.11 0.00 0.00 175.55 174.84 1wpg s ARG 131 N 1.24 2.39 0.62 -0.62 1.81 -1.21 -3.84 118.95 119.33 1wpg s ARG 131 Ca -0.03 -1.51 0.35 0.00 -1.72 0.00 0.00 55.73 52.82 1wpg s ARG 131 Cb -0.18 -2.20 2.03 0.00 -0.45 0.00 0.00 34.95 34.16 1wpg s ARG 131 CO -0.05 0.14 2.29 0.00 -0.68 0.00 0.00 175.30 177.01 1wpg h ALA 132 N 1.57 1.33 -0.20 2.13 0.00 -0.06 -3.26 119.26 120.78 1wpg h ALA 132 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1wpg h ALA 132 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1wpg h ALA 132 CO 0.63 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.63 1wpg n ASP 133 N -3.57 0.00 -4.91 0.00 8.00 -1.26 -4.83 116.55 109.98 1wpg n ASP 133 Ca -0.03 0.97 -0.20 0.00 0.71 0.00 0.00 54.79 56.23 1wpg n ASP 133 Cb 0.08 -0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 40.70 1wpg n ASP 133 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1wpg s ARG 134 N -2.87 2.55 -0.04 -1.24 0.52 -1.23 -5.03 118.95 111.61 1wpg s ARG 134 Ca 0.00 -1.53 0.21 0.00 -0.52 0.00 0.00 55.73 53.89 1wpg s ARG 134 Cb 0.00 -2.44 -0.32 0.00 0.52 0.00 0.00 34.95 32.71 1wpg s ARG 134 CO 0.00 -0.28 0.44 1.63 0.02 0.00 0.00 175.30 177.10 1wpg n LYS 135 N -1.66 0.65 -3.40 3.54 5.02 -1.26 -4.52 118.16 116.52 1wpg n LYS 135 Ca 0.05 -0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 55.82 1wpg n LYS 135 Cb 0.61 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 1wpg n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1wpg s SER 136 N -4.53 6.69 0.48 4.39 1.04 -1.26 -5.04 113.70 115.48 1wpg s SER 136 Ca -0.08 0.97 -0.23 0.00 0.48 0.00 0.00 55.95 57.09 1wpg s SER 136 Cb 0.13 -2.25 -0.08 0.00 0.10 0.00 0.00 66.02 63.92 1wpg s SER 136 CO 0.88 -0.00 1.11 0.55 0.98 0.00 0.00 173.24 176.76 1wpg n VAL 137 N 0.23 2.95 -4.89 5.02 3.14 -1.26 -4.84 118.33 118.68 1wpg n VAL 137 Ca -0.02 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.54 1wpg n VAL 137 Cb 0.52 -1.33 -0.14 0.00 -1.06 0.00 0.00 33.84 31.83 1wpg n VAL 137 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1wpg s GLN 138 N -2.36 2.99 -0.64 1.45 -0.21 0.29 -4.96 119.66 116.23 1wpg s GLN 138 Ca 0.67 -0.72 -0.15 0.00 0.02 0.00 0.00 55.36 55.17 1wpg s GLN 138 Cb -0.49 -2.48 0.16 0.00 1.00 0.00 0.00 33.01 31.20 1wpg s GLN 138 CO 0.54 0.37 0.59 0.50 -2.12 0.00 0.00 175.29 175.17 1wpg s ARG 139 N -0.07 3.19 0.54 2.91 3.52 -1.26 -1.35 118.95 126.44 1wpg s ARG 139 Ca -0.03 -1.95 0.05 0.00 -0.13 0.00 0.00 55.73 53.67 1wpg s ARG 139 Cb -0.14 -4.34 0.03 0.00 -1.56 0.00 0.00 34.95 28.94 1wpg s ARG 139 CO 0.04 -1.32 0.36 0.96 -0.81 0.00 0.00 175.30 174.52 1wpg s ILE 140 N 1.16 1.59 0.07 4.11 -4.36 -0.50 -4.88 121.20 118.38 1wpg s ILE 140 Ca 0.08 -1.55 -0.31 0.00 -0.26 0.00 0.00 60.65 58.61 1wpg s ILE 140 Cb -0.23 -2.14 -0.07 0.00 1.25 0.00 0.00 42.46 41.27 1wpg s ILE 140 CO -0.01 0.00 1.41 -0.54 0.24 0.00 0.00 174.94 176.05 1wpg s LYS 141 N -4.24 4.30 0.30 0.37 -0.14 -1.26 -0.13 119.74 118.95 1wpg s LYS 141 Ca 0.30 2.06 0.05 0.00 -1.36 0.00 0.00 55.97 57.02 1wpg s LYS 141 Cb -0.02 -3.39 0.68 0.00 -1.68 0.00 0.00 37.83 33.42 1wpg s LYS 141 CO 0.19 -0.51 1.81 0.00 -0.76 0.00 0.00 175.35 176.09 1wpg h ALA 142 N 7.28 1.64 0.00 5.17 0.00 0.11 0.26 119.26 133.72 1wpg h ALA 142 Ca -0.41 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1wpg h ALA 142 Cb 1.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1wpg h ALA 142 CO 0.88 0.05 0.00 0.07 0.00 0.00 0.00 179.25 180.26 1wpg h ARG 143 N 0.85 0.00 -0.12 0.00 0.11 -1.75 -1.48 114.38 111.98 1wpg h ARG 143 Ca 0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.61 1wpg h ARG 143 Cb 0.71 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.79 1wpg h ARG 143 CO -0.31 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.51 1wpg n ASP 144 N -2.93 1.85 -4.82 0.08 8.00 0.90 -0.64 116.55 118.99 1wpg n ASP 144 Ca -0.02 -1.68 -0.33 0.00 0.71 0.00 0.00 54.79 53.47 1wpg n ASP 144 Cb 0.14 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.11 1wpg n ASP 144 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wpg s ILE 145 N -1.85 4.27 0.05 0.53 1.01 -0.56 -4.94 121.20 119.71 1wpg s ILE 145 Ca 0.34 1.30 -0.02 0.00 0.00 0.00 0.00 60.65 62.28 1wpg s ILE 145 Cb 0.19 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1wpg s ILE 145 CO 0.29 -0.41 -0.01 0.68 0.00 0.00 0.00 174.94 175.49 1wpg s VAL 146 N -2.27 0.21 0.22 2.92 -7.23 -1.26 -3.86 120.40 109.13 1wpg s VAL 146 Ca 0.62 -1.74 -0.31 0.00 -1.81 0.00 0.00 61.98 58.74 1wpg s VAL 146 Cb -0.11 -1.47 -0.14 0.00 0.56 0.00 0.00 36.38 35.21 1wpg s VAL 146 CO 0.21 -0.96 1.27 -2.65 -0.31 0.00 0.00 175.10 172.66 1wpg n PRO 147 N 0.14 1.64 0.00 4.82 -0.02 -1.26 -1.86 135.00 138.46 1wpg n PRO 147 Ca -0.14 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1wpg n PRO 147 Cb 0.61 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1wpg n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wpg n GLY 148 N 1.97 3.38 3.84 -1.23 0.00 0.02 -4.97 105.19 108.21 1wpg n GLY 148 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1wpg n GLY 148 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wpg s ASP 149 N -0.61 6.66 -0.25 1.61 1.47 -0.78 -4.63 116.67 120.14 1wpg s ASP 149 Ca 0.00 1.59 -0.27 0.00 1.18 0.00 0.00 52.55 55.05 1wpg s ASP 149 Cb 0.00 -2.51 0.00 0.00 -0.34 0.00 0.00 42.92 40.07 1wpg s ASP 149 CO 0.00 -0.56 0.95 -0.63 0.68 0.00 0.00 175.17 175.60 1wpg s ILE 150 N -2.57 4.73 0.19 2.11 -1.09 -1.26 -1.95 121.20 121.37 1wpg s ILE 150 Ca 0.59 1.79 0.09 0.00 -2.23 0.00 0.00 60.65 60.89 1wpg s ILE 150 Cb -0.10 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 1wpg s ILE 150 CO 0.29 -0.16 -0.09 0.68 -1.23 0.00 0.00 174.94 174.43 1wpg s VAL 151 N 3.08 3.22 -0.04 2.92 -7.23 -0.47 -0.80 120.40 121.08 1wpg s VAL 151 Ca 0.40 -1.68 0.04 0.00 -1.81 0.00 0.00 61.98 58.92 1wpg s VAL 151 Cb -0.15 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1wpg s VAL 151 CO 0.07 -0.14 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.89 1wpg s GLU 152 N -2.91 1.49 0.07 4.82 2.12 -0.26 -1.74 118.70 122.28 1wpg s GLU 152 Ca 0.26 -0.49 0.04 0.00 0.36 0.00 0.00 54.97 55.14 1wpg s GLU 152 Cb -0.09 -1.31 -0.03 0.00 0.26 0.00 0.00 34.13 32.96 1wpg s GLU 152 CO 0.16 0.18 -0.13 0.14 -0.54 0.00 0.00 175.26 175.08 1wpg s VAL 153 N 0.13 0.98 0.20 3.70 -7.23 -0.91 -4.30 120.40 112.97 1wpg s VAL 153 Ca -0.04 -1.28 -0.07 0.00 -1.81 0.00 0.00 61.98 58.78 1wpg s VAL 153 Cb -0.11 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 1wpg s VAL 153 CO 0.02 -0.27 0.28 0.00 -0.31 0.00 0.00 175.10 174.81 1wpg s ALA 154 N -1.35 0.36 -0.14 1.32 0.00 -1.26 -1.64 121.76 119.04 1wpg s ALA 154 Ca -0.03 -1.19 -0.31 0.00 0.00 0.00 0.00 51.96 50.43 1wpg s ALA 154 Cb -0.10 1.10 -0.14 0.00 0.00 0.00 0.00 23.12 23.98 1wpg s ALA 154 CO 0.02 -0.68 0.92 0.28 0.00 0.00 0.00 175.76 176.29 1wpg n VAL 155 N -0.28 0.00 0.00 0.00 0.31 -0.31 -0.90 118.33 117.15 1wpg n VAL 155 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1wpg n VAL 155 Cb 0.64 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 1wpg n VAL 155 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wpg n GLY 156 N 1.79 3.27 3.75 2.92 0.00 0.01 -5.00 105.19 111.94 1wpg n GLY 156 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1wpg n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wpg s ASP 157 N -0.87 4.85 -0.24 1.61 1.01 -0.08 -4.74 116.67 118.20 1wpg s ASP 157 Ca 0.00 2.13 -0.07 0.00 0.71 0.00 0.00 52.55 55.33 1wpg s ASP 157 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1wpg s ASP 157 CO 0.00 -1.81 0.05 -0.75 0.21 0.00 0.00 175.17 172.87 1wpg s LYS 158 N -3.97 3.64 -0.00 8.23 2.20 -1.26 -1.10 119.74 127.48 1wpg s LYS 158 Ca 0.70 -0.49 -0.35 0.00 -0.36 0.00 0.00 55.97 55.47 1wpg s LYS 158 Cb -0.24 -3.26 -0.14 0.00 -1.51 0.00 0.00 37.83 32.69 1wpg s LYS 158 CO 0.42 -0.14 1.69 0.28 -0.36 0.00 0.00 175.35 177.24 1wpg n VAL 159 N 4.75 0.28 0.16 4.02 0.31 0.72 -4.74 118.33 123.82 1wpg n VAL 159 Ca -0.16 -0.05 0.04 0.00 -0.01 0.00 0.00 64.34 64.16 1wpg n VAL 159 Cb 0.51 -1.55 0.07 0.00 -0.91 0.00 0.00 33.84 31.96 1wpg n VAL 159 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1wpg h PRO 160 N 7.26 0.00 -3.09 5.55 0.13 -1.89 -1.89 132.00 138.08 1wpg h PRO 160 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wpg h PRO 160 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1wpg h PRO 160 CO 0.91 0.41 0.22 0.00 -0.23 0.00 0.00 178.00 179.31 1wpg s ALA 161 N -3.04 -0.80 -0.33 -0.56 0.00 -1.26 -4.86 121.76 110.91 1wpg s ALA 161 Ca 0.04 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 1wpg s ALA 161 Cb 0.07 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.99 1wpg s ALA 161 CO 0.73 -0.99 1.07 -0.51 0.00 0.00 0.00 175.76 176.06 1wpg s ASP 162 N -3.03 6.90 -0.01 0.00 1.11 -1.06 -3.04 116.67 117.54 1wpg s ASP 162 Ca 0.15 0.99 0.08 0.00 0.18 0.00 0.00 52.55 53.95 1wpg s ASP 162 Cb -0.05 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 1wpg s ASP 162 CO 0.10 -0.90 -0.25 -0.63 1.18 0.00 0.00 175.17 174.66 1wpg s ILE 163 N 3.70 2.01 -0.12 0.77 1.01 0.91 -0.76 121.20 128.71 1wpg s ILE 163 Ca 0.45 -1.12 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 1wpg s ILE 163 Cb -0.12 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1wpg s ILE 163 CO 0.17 0.53 0.64 -0.60 0.00 0.00 0.00 174.94 175.68 1wpg s ARG 164 N -0.69 4.35 0.05 2.79 3.00 -0.16 0.24 118.95 128.52 1wpg s ARG 164 Ca 0.10 0.73 -0.30 0.00 -1.00 0.00 0.00 55.73 55.26 1wpg s ARG 164 Cb -0.10 -3.49 -0.05 0.00 0.00 0.00 0.00 34.95 31.32 1wpg s ARG 164 CO -0.01 -0.03 1.07 0.42 0.00 0.00 0.00 175.30 176.76 1wpg s ILE 165 N 1.16 4.44 -0.25 4.11 1.01 -0.16 -0.88 121.20 130.63 1wpg s ILE 165 Ca 0.33 1.79 0.01 0.00 0.00 0.00 0.00 60.65 62.78 1wpg s ILE 165 Cb -0.17 -4.15 -0.16 0.00 0.01 0.00 0.00 42.46 38.00 1wpg s ILE 165 CO 0.14 0.16 -0.23 0.18 0.00 0.00 0.00 174.94 175.19 1wpg n LEU 166 N 3.71 2.89 -3.65 2.97 4.77 0.93 -4.78 117.00 123.83 1wpg n LEU 166 Ca 0.07 -0.09 -0.06 0.00 -0.03 0.00 0.00 56.01 55.89 1wpg n LEU 166 Cb 0.49 -0.85 -0.07 0.00 -2.33 0.00 0.00 43.42 40.65 1wpg n LEU 166 CO 0.53 0.88 0.24 -0.55 -1.33 0.00 0.00 177.39 177.17 1wpg s SER 167 N -6.47 -0.85 -0.26 -1.43 0.15 -0.17 -4.97 113.70 99.71 1wpg s SER 167 Ca -0.33 1.37 -0.14 0.00 0.70 0.00 0.00 55.95 57.54 1wpg s SER 167 Cb 0.09 1.48 -0.04 0.00 -1.71 0.00 0.00 66.02 65.84 1wpg s SER 167 CO 0.56 -0.23 0.33 -0.63 1.20 0.00 0.00 173.24 174.47 1wpg s ILE 168 N 1.97 5.22 -0.08 6.45 1.01 -1.26 0.01 121.20 134.52 1wpg s ILE 168 Ca -0.08 0.49 0.14 0.00 0.00 0.00 0.00 60.65 61.20 1wpg s ILE 168 Cb -0.08 -3.66 -0.11 0.00 0.01 0.00 0.00 42.46 38.63 1wpg s ILE 168 CO -0.18 0.21 1.05 0.11 0.00 0.00 0.00 174.94 176.13 1wpg h LYS 169 N 7.98 0.00 -7.22 2.79 1.79 -1.29 -3.47 116.57 117.16 1wpg h LYS 169 Ca -0.34 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.67 1wpg h LYS 169 Cb 1.17 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.91 1wpg h LYS 169 CO 0.64 0.50 0.16 -1.54 -1.08 0.00 0.00 179.45 178.13 1wpg s SER 170 N -6.18 4.27 0.32 0.86 1.04 -1.17 -4.97 113.70 107.87 1wpg s SER 170 Ca -0.01 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.29 1wpg s SER 170 Cb 0.08 -0.24 0.55 0.00 0.10 0.00 0.00 66.02 66.51 1wpg s SER 170 CO 0.80 -1.92 1.90 0.74 0.98 0.00 0.00 173.24 175.74 1wpg h THR 171 N -0.67 1.19 -3.50 2.02 2.02 -1.92 -3.45 112.91 108.61 1wpg h THR 171 Ca -0.39 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.07 1wpg h THR 171 Cb 1.27 0.64 -0.15 0.00 -1.74 0.00 0.00 68.15 68.18 1wpg h THR 171 CO 0.43 0.25 -0.23 0.42 0.37 0.00 0.00 175.52 176.75 1wpg s THR 172 N -5.27 0.10 -0.21 3.16 -4.23 -1.26 -4.78 115.64 103.14 1wpg s THR 172 Ca -0.09 -0.81 -0.02 0.00 -1.18 0.00 0.00 61.69 59.59 1wpg s THR 172 Cb 0.16 -1.14 0.01 0.00 1.34 0.00 0.00 72.50 72.86 1wpg s THR 172 CO 0.78 -0.45 -0.10 -0.22 -0.54 0.00 0.00 174.62 174.08 1wpg s LEU 173 N -2.56 2.65 -0.25 4.79 2.96 -1.26 -4.32 118.68 120.69 1wpg s LEU 173 Ca 0.01 -0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 53.26 1wpg s LEU 173 Cb 0.02 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 1wpg s LEU 173 CO -0.09 -0.03 0.15 -0.13 -1.32 0.00 0.00 176.35 174.94 1wpg s ARG 174 N 1.39 3.98 -0.04 1.98 1.81 0.13 -2.24 118.95 125.96 1wpg s ARG 174 Ca 0.05 -0.31 0.05 0.00 -1.72 0.00 0.00 55.73 53.80 1wpg s ARG 174 Cb -0.14 -3.53 -0.01 0.00 -0.45 0.00 0.00 34.95 30.82 1wpg s ARG 174 CO -0.07 -0.03 -0.20 0.08 -0.68 0.00 0.00 175.30 174.41 1wpg s VAL 175 N 1.29 1.63 -0.47 3.52 1.01 -0.30 0.11 120.40 127.19 1wpg s VAL 175 Ca 0.07 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 1wpg s VAL 175 Cb -0.14 -1.38 0.08 0.00 0.00 0.00 0.00 36.38 34.93 1wpg s VAL 175 CO 0.06 0.46 0.38 -0.62 0.00 0.00 0.00 175.10 175.39 1wpg s ASP 176 N -0.14 6.07 -0.26 3.32 2.15 -0.68 0.49 116.67 127.63 1wpg s ASP 176 Ca -0.01 -1.38 0.13 0.00 0.43 0.00 0.00 52.55 51.72 1wpg s ASP 176 Cb -0.11 -2.16 0.67 0.00 -0.30 0.00 0.00 42.92 41.02 1wpg s ASP 176 CO 0.02 -0.64 1.64 0.00 -0.17 0.00 0.00 175.17 176.01 1wpg n GLN 177 N 5.16 3.52 -0.11 4.34 6.02 -1.26 -2.93 117.38 132.13 1wpg n GLN 177 Ca -0.12 -3.04 0.27 0.00 -0.01 0.00 0.00 57.00 54.09 1wpg n GLN 177 Cb 0.43 -2.07 0.71 0.00 1.02 0.00 0.00 30.24 30.34 1wpg n GLN 177 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1wpg h SER 178 N 2.49 0.00 0.79 1.08 4.64 -1.83 0.26 113.55 120.98 1wpg h SER 178 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1wpg h SER 178 Cb 1.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 1wpg h SER 178 CO 0.49 0.00 0.00 0.16 -0.87 0.00 0.00 176.83 176.61 1wpg h ILE 179 N 0.00 0.00 0.00 0.95 3.07 -1.87 0.52 117.51 120.18 1wpg h ILE 179 Ca 0.37 -0.35 0.00 0.00 1.55 0.00 0.00 64.86 66.43 1wpg h ILE 179 Cb 1.67 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 39.45 1wpg h ILE 179 CO -0.00 0.00 -1.42 0.18 -1.05 0.00 0.00 178.15 175.86 1wpg n LEU 180 N -2.75 0.05 0.00 0.16 4.77 0.85 -2.88 117.00 117.20 1wpg n LEU 180 Ca 0.01 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1wpg n LEU 180 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1wpg n LEU 180 CO 0.23 0.01 -0.17 0.35 -1.33 0.00 0.00 177.39 176.48 1wpg n THR 181 N -1.83 0.00 -0.04 -5.08 -2.24 -0.77 -4.30 114.28 100.02 1wpg n THR 181 Ca -0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1wpg n THR 181 Cb 0.28 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1wpg n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpg n GLY 182 N 1.31 2.74 3.80 3.38 0.00 0.18 -3.65 105.19 112.96 1wpg n GLY 182 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1wpg n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wpg s GLU 183 N -0.06 4.02 0.08 1.61 0.41 -1.26 -4.88 118.70 118.62 1wpg s GLU 183 Ca 0.00 0.32 0.24 0.00 -0.41 0.00 0.00 54.97 55.13 1wpg s GLU 183 Cb 0.00 -3.29 0.39 0.00 -1.78 0.00 0.00 34.13 29.45 1wpg s GLU 183 CO 0.00 0.52 1.34 -1.13 -0.49 0.00 0.00 175.26 175.50 1wpg n SER 184 N 2.47 0.62 -4.69 -0.19 3.41 -1.26 -2.51 113.62 111.47 1wpg n SER 184 Ca -0.13 0.01 -0.44 0.00 -0.26 0.00 0.00 58.87 58.04 1wpg n SER 184 Cb 0.52 0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.65 1wpg n SER 184 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1wpg n VAL 185 N -1.92 0.09 -2.33 -3.33 3.14 -1.26 -4.84 118.33 107.89 1wpg n VAL 185 Ca 0.04 -0.02 -0.41 0.00 -2.96 0.00 0.00 64.34 60.99 1wpg n VAL 185 Cb 0.41 -1.78 -0.03 0.00 -1.06 0.00 0.00 33.84 31.38 1wpg n VAL 185 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1wpg s SER 186 N 1.46 7.05 -0.07 6.55 1.04 -1.26 -4.66 113.70 123.80 1wpg s SER 186 Ca 0.79 2.33 -0.11 0.00 0.48 0.00 0.00 55.95 59.45 1wpg s SER 186 Cb -0.60 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 62.85 1wpg s SER 186 CO 0.37 -0.37 0.26 0.54 0.98 0.00 0.00 173.24 175.01 1wpg s VAL 187 N -0.39 5.30 -0.32 5.02 0.11 0.18 -4.75 120.40 125.55 1wpg s VAL 187 Ca 0.51 0.49 -0.22 0.00 -2.93 0.00 0.00 61.98 59.83 1wpg s VAL 187 Cb -0.34 -3.54 -0.00 0.00 -1.53 0.00 0.00 36.38 30.97 1wpg s VAL 187 CO 0.40 0.59 0.70 -0.63 -3.33 0.00 0.00 175.10 172.83 1wpg s ILE 188 N -0.98 4.86 0.46 7.04 -1.09 -1.26 -1.15 121.20 129.08 1wpg s ILE 188 Ca 0.19 0.94 -0.02 0.00 -2.23 0.00 0.00 60.65 59.53 1wpg s ILE 188 Cb -0.14 -4.08 -0.01 0.00 -1.58 0.00 0.00 42.46 36.64 1wpg s ILE 188 CO 0.08 -0.23 0.71 -0.54 -1.23 0.00 0.00 174.94 173.73 1wpg s LYS 189 N 2.80 3.21 0.32 2.79 -0.14 -0.95 -4.96 119.74 122.80 1wpg s LYS 189 Ca 0.28 -0.24 -0.02 0.00 -1.36 0.00 0.00 55.97 54.63 1wpg s LYS 189 Cb -0.14 -2.49 -0.01 0.00 -1.68 0.00 0.00 37.83 33.51 1wpg s LYS 189 CO 0.13 -0.25 0.41 -3.38 -0.76 0.00 0.00 175.35 171.49 1wpg s HIS 190 N -2.62 1.10 -1.18 3.18 -3.43 -0.23 -4.57 115.29 107.55 1wpg s HIS 190 Ca 0.48 -1.30 0.13 0.00 -0.80 0.00 0.00 55.06 53.57 1wpg s HIS 190 Cb -0.10 -0.20 -0.00 0.00 -1.43 0.00 0.00 32.58 30.84 1wpg s HIS 190 CO 0.40 -1.03 0.74 0.25 -2.00 0.00 0.00 174.74 173.10 1wpg n THR 191 N -0.52 0.00 -1.72 -5.38 -2.24 -1.26 -3.91 114.28 99.24 1wpg n THR 191 Ca 0.02 -0.37 -0.34 0.00 -2.27 0.00 0.00 64.05 61.09 1wpg n THR 191 Cb 0.62 1.15 0.06 0.00 -2.10 0.00 0.00 70.33 70.06 1wpg n THR 191 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1wpg s GLU 192 N -1.61 2.67 0.61 -0.78 2.02 -1.26 -4.69 118.70 115.66 1wpg s GLU 192 Ca 0.11 1.54 -0.16 0.00 0.02 0.00 0.00 54.97 56.47 1wpg s GLU 192 Cb 0.10 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 1wpg s GLU 192 CO 0.32 -1.38 1.09 -1.25 0.02 0.00 0.00 175.26 174.07 1wpg s PRO 193 N -3.93 3.11 -0.48 0.39 0.04 -1.26 -4.68 135.00 128.18 1wpg s PRO 193 Ca 0.70 1.37 0.02 0.00 0.04 0.00 0.00 61.00 63.13 1wpg s PRO 193 Cb -0.24 -1.99 0.13 0.00 0.04 0.00 0.00 34.50 32.44 1wpg s PRO 193 CO 0.41 -1.00 0.24 0.08 0.04 0.00 0.00 177.00 176.76 1wpg s VAL 194 N -2.26 2.83 0.15 -0.36 1.01 0.70 -5.00 120.40 117.48 1wpg s VAL 194 Ca 0.67 -2.84 -0.30 0.00 0.00 0.00 0.00 61.98 59.52 1wpg s VAL 194 Cb -0.19 -2.96 -0.07 0.00 0.00 0.00 0.00 36.38 33.16 1wpg s VAL 194 CO 0.36 -0.75 1.51 -2.65 0.00 0.00 0.00 175.10 173.58 1wpg n PRO 195 N 3.67 -0.42 -1.48 2.72 -0.02 -1.26 -3.44 135.00 134.77 1wpg n PRO 195 Ca 0.04 1.48 -0.55 0.00 -2.02 0.00 0.00 63.50 62.46 1wpg n PRO 195 Cb 0.37 -2.18 -0.08 0.00 -0.02 0.00 0.00 33.50 31.58 1wpg n PRO 195 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1wpg n ASP 196 N -5.16 1.85 0.25 2.55 2.03 -1.26 -4.80 116.55 112.01 1wpg n ASP 196 Ca 0.02 0.67 0.11 0.00 0.52 0.00 0.00 54.79 56.11 1wpg n ASP 196 Cb 0.25 -1.13 0.63 0.00 -0.72 0.00 0.00 41.12 40.14 1wpg n ASP 196 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wpg h PRO 197 N 10.04 0.00 -0.65 -0.67 0.13 -2.00 -2.53 132.00 136.32 1wpg h PRO 197 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1wpg h PRO 197 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1wpg h PRO 197 CO 1.02 0.17 0.00 0.54 -0.23 0.00 0.00 178.00 179.50 1wpg n ARG 198 N -3.60 3.51 -1.57 0.86 1.74 -1.26 -4.99 116.66 111.35 1wpg n ARG 198 Ca -0.01 -2.65 -0.42 0.00 -0.77 0.00 0.00 57.85 54.00 1wpg n ARG 198 Cb 0.30 -1.85 0.01 0.00 -1.02 0.00 0.00 32.46 29.91 1wpg n ARG 198 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wpg n ALA 199 N 1.06 -0.28 -2.34 7.54 0.00 -0.96 -4.97 120.51 120.57 1wpg n ALA 199 Ca 0.24 0.23 -0.25 0.00 0.00 0.00 0.00 53.44 53.66 1wpg n ALA 199 Cb 0.83 -2.00 0.01 0.00 0.00 0.00 0.00 19.45 18.29 1wpg n ALA 199 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wpg s VAL 200 N -1.30 4.37 0.25 0.00 1.01 -1.26 -4.92 120.40 118.55 1wpg s VAL 200 Ca 0.63 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 1wpg s VAL 200 Cb -0.58 -3.64 0.24 0.00 0.00 0.00 0.00 36.38 32.39 1wpg s VAL 200 CO 0.57 -0.52 1.68 0.78 0.00 0.00 0.00 175.10 177.61 1wpg h ASN 201 N 0.33 0.00 0.35 3.32 2.35 -1.94 0.38 115.58 120.38 1wpg h ASN 201 Ca -0.47 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1wpg h ASN 201 Cb 1.24 0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.81 1wpg h ASN 201 CO 0.60 -0.05 0.00 0.00 -1.65 0.00 0.00 177.43 176.33 1wpg n GLN 202 N -5.16 0.04 0.06 0.81 0.00 -1.26 -1.34 117.38 110.52 1wpg n GLN 202 Ca 0.14 0.38 0.07 0.00 0.00 0.00 0.00 57.00 57.59 1wpg n GLN 202 Cb 0.47 -1.60 -0.06 0.00 0.00 0.00 0.00 30.24 29.05 1wpg n GLN 202 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1wpg n ASP 203 N -1.68 0.72 -3.56 2.61 8.00 0.13 -4.59 116.55 118.18 1wpg n ASP 203 Ca 0.02 0.30 -0.41 0.00 0.71 0.00 0.00 54.79 55.41 1wpg n ASP 203 Cb 0.12 0.55 -0.01 0.00 -0.02 0.00 0.00 41.12 41.76 1wpg n ASP 203 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wpg n LYS 204 N -2.71 3.38 0.00 -1.24 5.02 -0.45 -4.72 118.16 117.45 1wpg n LYS 204 Ca -0.05 -2.58 0.06 0.00 -2.02 0.00 0.00 58.31 53.72 1wpg n LYS 204 Cb 0.68 -3.02 0.35 0.00 -0.02 0.00 0.00 35.03 33.02 1wpg n LYS 204 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wpg n LYS 205 N 4.60 0.53 -0.16 1.97 5.02 -1.26 -1.99 118.16 126.86 1wpg n LYS 205 Ca 0.62 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.96 1wpg n LYS 205 Cb 0.31 -1.35 0.14 0.00 -0.02 0.00 0.00 35.03 34.11 1wpg n LYS 205 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1wpg n ASN 206 N -0.85 2.82 -4.42 4.39 6.94 -1.25 -1.06 115.26 121.82 1wpg n ASN 206 Ca 0.09 -2.00 -0.28 0.00 -0.02 0.00 0.00 54.58 52.37 1wpg n ASN 206 Cb 0.04 -0.21 -0.12 0.00 -2.36 0.00 0.00 39.78 37.13 1wpg n ASN 206 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1wpg s MET 207 N -1.00 1.53 -0.06 -3.83 -1.94 -0.84 -0.99 119.30 112.16 1wpg s MET 207 Ca 0.21 -1.37 0.05 0.00 -1.71 0.00 0.00 55.69 52.86 1wpg s MET 207 Cb 0.11 -1.93 -0.01 0.00 2.01 0.00 0.00 34.83 35.01 1wpg s MET 207 CO 0.14 0.44 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.86 1wpg s LEU 208 N -2.30 2.25 -0.09 -0.03 1.43 0.14 -4.93 118.68 115.15 1wpg s LEU 208 Ca 0.17 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1wpg s LEU 208 Cb -0.09 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 1wpg s LEU 208 CO 0.08 0.26 -0.10 -0.36 0.23 0.00 0.00 176.35 176.46 1wpg s PHE 209 N -0.22 2.85 0.15 0.29 0.40 -1.26 -0.06 117.98 120.12 1wpg s PHE 209 Ca -0.01 -0.22 -0.34 0.00 -0.60 0.00 0.00 56.93 55.75 1wpg s PHE 209 Cb -0.13 -1.75 -0.15 0.00 0.51 0.00 0.00 43.02 41.50 1wpg s PHE 209 CO 0.03 0.12 1.49 0.45 0.70 0.00 0.00 175.22 178.01 1wpg n SER 210 N 2.71 2.63 0.00 1.36 2.88 -1.17 -1.63 113.62 120.40 1wpg n SER 210 Ca -0.18 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1wpg n SER 210 Cb 0.53 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1wpg n SER 210 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wpg n GLY 211 N 3.02 3.43 3.88 0.46 0.00 -0.71 -4.55 105.19 110.72 1wpg n GLY 211 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1wpg n GLY 211 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wpg s THR 212 N -2.98 2.35 0.04 2.61 2.01 -0.64 -4.81 115.64 114.23 1wpg s THR 212 Ca 0.00 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.13 1wpg s THR 212 Cb 0.00 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 1wpg s THR 212 CO 0.00 -0.15 -0.07 0.54 -0.69 0.00 0.00 174.62 174.25 1wpg s ASN 213 N -4.43 0.74 -0.21 3.53 4.22 -1.15 -0.20 114.94 117.43 1wpg s ASN 213 Ca 0.61 -0.57 -0.24 0.00 -2.14 0.00 0.00 52.86 50.52 1wpg s ASN 213 Cb -0.12 0.06 -0.01 0.00 1.28 0.00 0.00 41.25 42.46 1wpg s ASN 213 CO 0.50 -0.25 0.80 -0.63 -2.04 0.00 0.00 177.10 175.49 1wpg s ILE 214 N -1.57 4.88 0.08 0.54 1.09 -0.26 -1.68 121.20 124.27 1wpg s ILE 214 Ca -0.10 1.53 0.03 0.00 -1.10 0.00 0.00 60.65 61.02 1wpg s ILE 214 Cb -0.09 -4.10 -0.24 0.00 -1.06 0.00 0.00 42.46 36.98 1wpg s ILE 214 CO -0.00 -0.01 1.15 0.00 -0.10 0.00 0.00 174.94 175.98 1wpg h ALA 215 N 7.54 0.31 -1.62 9.38 0.00 -0.67 0.06 119.26 134.26 1wpg h ALA 215 Ca -0.26 -0.97 0.06 0.00 0.00 0.00 0.00 54.91 53.74 1wpg h ALA 215 Cb 1.11 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.64 1wpg h ALA 215 CO 0.85 1.19 0.47 0.00 0.00 0.00 0.00 179.25 181.76 1wpg s ALA 216 N -2.68 -1.93 0.00 0.00 0.00 -1.03 -4.69 121.76 111.43 1wpg s ALA 216 Ca -0.02 1.69 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1wpg s ALA 216 Cb 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1wpg s ALA 216 CO 0.84 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.73 1wpg n GLY 217 N 1.37 -1.25 3.42 0.00 0.00 -1.26 0.21 105.19 107.69 1wpg n GLY 217 Ca -0.12 -2.16 -0.11 0.00 0.00 0.00 0.00 46.02 43.63 1wpg n GLY 217 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wpg s LYS 218 N -0.21 0.56 0.16 1.61 2.20 -1.26 -1.16 119.74 121.64 1wpg s LYS 218 Ca 0.00 0.86 -0.15 0.00 -0.36 0.00 0.00 55.97 56.32 1wpg s LYS 218 Cb 0.00 0.16 0.02 0.00 -1.51 0.00 0.00 37.83 36.50 1wpg s LYS 218 CO 0.00 -0.12 0.43 0.00 -0.36 0.00 0.00 175.35 175.30 1wpg s ALA 219 N 0.95 -0.77 0.02 3.13 0.00 -0.65 -0.70 121.76 123.74 1wpg s ALA 219 Ca -0.05 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.72 1wpg s ALA 219 Cb -0.06 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 1wpg s ALA 219 CO -0.08 -0.71 -0.23 -1.17 0.00 0.00 0.00 175.76 173.57 1wpg s LEU 220 N -2.86 2.34 0.00 0.00 2.96 0.10 -2.15 118.68 119.07 1wpg s LEU 220 Ca 0.08 -0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 53.43 1wpg s LEU 220 Cb 0.01 -1.39 0.03 0.00 0.50 0.00 0.00 46.19 45.34 1wpg s LEU 220 CO -0.06 0.28 0.58 0.61 -1.32 0.00 0.00 176.35 176.43 1wpg n GLY 221 N 1.89 1.61 3.23 7.98 0.00 -0.71 -0.05 105.19 119.15 1wpg n GLY 221 Ca -0.17 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 1wpg n GLY 221 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wpg s ILE 222 N -2.47 1.88 0.13 -0.61 2.07 -0.06 -1.37 121.20 120.77 1wpg s ILE 222 Ca 0.20 -0.97 -0.31 0.00 -1.41 0.00 0.00 60.65 58.16 1wpg s ILE 222 Cb -0.03 -1.59 -0.08 0.00 0.13 0.00 0.00 42.46 40.89 1wpg s ILE 222 CO 0.14 0.53 1.39 -0.69 -1.91 0.00 0.00 174.94 174.40 1wpg s VAL 223 N -0.12 3.23 -0.26 4.00 1.01 -0.82 -0.99 120.40 126.44 1wpg s VAL 223 Ca -0.03 0.90 -0.03 0.00 0.00 0.00 0.00 61.98 62.82 1wpg s VAL 223 Cb -0.13 -3.58 -0.16 0.00 0.00 0.00 0.00 36.38 32.51 1wpg s VAL 223 CO 0.03 0.08 -0.25 0.00 0.00 0.00 0.00 175.10 174.96 1wpg n ALA 224 N 3.73 1.36 -2.60 5.51 0.00 0.06 -0.80 120.51 127.77 1wpg n ALA 224 Ca 0.11 -1.09 -0.09 0.00 0.00 0.00 0.00 53.44 52.36 1wpg n ALA 224 Cb 0.42 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 1wpg n ALA 224 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wpg s THR 225 N -2.52 0.13 0.29 0.00 -4.23 -1.12 -2.17 115.64 106.02 1wpg s THR 225 Ca -0.36 -1.18 0.04 0.00 -1.18 0.00 0.00 61.69 59.01 1wpg s THR 225 Cb 0.11 -1.40 -0.01 0.00 1.34 0.00 0.00 72.50 72.53 1wpg s THR 225 CO 0.57 -0.59 0.31 0.35 -0.54 0.00 0.00 174.62 174.73 1wpg n THR 226 N -0.09 0.00 -2.04 3.99 -2.24 -1.26 -2.57 114.28 110.07 1wpg n THR 226 Ca -0.14 -1.88 0.00 0.00 -2.27 0.00 0.00 64.05 59.76 1wpg n THR 226 Cb 0.63 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1wpg n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpg n GLY 227 N -0.53 2.97 0.14 3.38 0.00 -1.26 -1.92 105.19 107.97 1wpg n GLY 227 Ca 0.04 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1wpg n GLY 227 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wpg h VAL 228 N 0.00 0.00 0.00 1.61 2.07 -1.91 -3.23 116.25 114.79 1wpg h VAL 228 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1wpg h VAL 228 Cb 0.00 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1wpg h VAL 228 CO 0.00 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.39 1wpg n SER 229 N -2.35 0.00 -4.88 0.57 7.64 -0.81 -3.88 113.62 109.91 1wpg n SER 229 Ca 0.03 -1.45 -0.21 0.00 1.01 0.00 0.00 58.87 58.25 1wpg n SER 229 Cb 0.28 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.54 1wpg n SER 229 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1wpg s THR 230 N -2.00 2.40 0.13 0.44 -4.23 -1.22 -4.77 115.64 106.39 1wpg s THR 230 Ca 0.23 -0.76 -0.16 0.00 -1.18 0.00 0.00 61.69 59.82 1wpg s THR 230 Cb 0.11 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.29 1wpg s THR 230 CO 0.18 0.00 1.67 -0.33 -0.54 0.00 0.00 174.62 175.60 1wpg h GLU 231 N -0.05 0.58 0.00 3.99 4.39 -1.91 -0.39 114.58 121.18 1wpg h GLU 231 Ca -0.37 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.21 1wpg h GLU 231 Cb 1.28 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1wpg h GLU 231 CO 0.44 0.56 -0.06 0.97 -1.16 0.00 0.00 179.01 179.77 1wpg h ILE 232 N 0.47 0.19 -0.25 3.13 2.10 -1.93 -0.70 117.51 120.52 1wpg h ILE 232 Ca 0.13 -0.51 -0.16 0.00 1.08 0.00 0.00 64.86 65.39 1wpg h ILE 232 Cb 0.21 1.42 -0.01 0.00 -1.09 0.00 0.00 36.82 37.35 1wpg h ILE 232 CO -0.01 0.06 -0.49 1.23 -1.08 0.00 0.00 178.15 177.85 1wpg h GLY 233 N 1.44 0.75 1.18 8.18 0.00 -1.40 -1.16 103.07 112.07 1wpg h GLY 233 Ca -0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 47.33 46.43 1wpg h GLY 233 CO 0.01 0.75 0.11 0.50 0.00 0.00 0.00 176.54 177.90 1wpg h LYS 234 N 0.54 1.01 -0.47 4.80 1.57 0.39 0.39 116.57 124.80 1wpg h LYS 234 Ca 0.02 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1wpg h LYS 234 Cb 1.05 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1wpg h LYS 234 CO 0.10 0.92 0.28 0.82 -0.57 0.00 0.00 179.45 181.00 1wpg h ILE 235 N 0.95 1.15 -0.48 1.86 2.04 -1.14 -1.57 117.51 120.32 1wpg h ILE 235 Ca 0.19 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1wpg h ILE 235 Cb 0.40 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1wpg h ILE 235 CO 0.01 0.16 0.30 -0.09 0.00 0.00 0.00 178.15 178.52 1wpg h ARG 236 N 0.62 0.65 -0.81 2.37 1.12 -0.62 -0.64 114.38 117.07 1wpg h ARG 236 Ca 0.17 -0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.94 1wpg h ARG 236 Cb 0.01 -0.14 -0.04 0.00 -0.01 0.00 0.00 29.97 29.79 1wpg h ARG 236 CO -0.03 0.47 0.35 -0.44 -3.11 0.00 0.00 179.97 177.21 1wpg h ASP 237 N 0.65 1.10 -0.01 -3.80 3.45 -0.68 -1.91 116.42 115.22 1wpg h ASP 237 Ca 0.17 -0.16 -0.06 0.00 0.43 0.00 0.00 57.03 57.41 1wpg h ASP 237 Cb -0.02 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.45 1wpg h ASP 237 CO -0.03 0.96 -0.16 1.56 -1.57 0.00 0.00 179.24 179.99 1wpg h GLN 238 N 1.18 0.32 0.00 3.56 1.08 -0.86 -1.28 115.11 119.11 1wpg h GLN 238 Ca 0.27 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1wpg h GLN 238 Cb 0.18 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1wpg h GLN 238 CO -0.03 0.49 0.00 0.52 -0.95 0.00 0.00 178.83 178.86 1wpg h MET 239 N 0.30 0.00 -1.75 1.46 2.86 -0.34 -3.15 114.93 114.31 1wpg h MET 239 Ca 0.06 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1wpg h MET 239 Cb 0.47 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1wpg h MET 239 CO 0.03 0.00 0.06 0.00 1.06 0.00 0.00 176.91 178.06 1wpg n ALA 240 N -1.91 3.89 -2.32 6.32 0.00 -0.48 -4.68 120.51 121.33 1wpg n ALA 240 Ca 0.01 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 1wpg n ALA 240 Cb 0.25 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1wpg n ALA 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpg n ALA 241 N 1.15 5.07 0.04 0.00 0.00 -1.19 -4.75 120.51 120.83 1wpg n ALA 241 Ca 0.04 -4.19 -0.03 0.00 0.00 0.00 0.00 53.44 49.26 1wpg n ALA 241 Cb 0.53 -3.14 0.21 0.00 0.00 0.00 0.00 19.45 17.04 1wpg n ALA 241 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1wpg h THR 242 N 4.04 1.27 -1.07 0.00 2.02 -1.93 -3.42 112.91 113.82 1wpg h THR 242 Ca 0.42 -1.32 -0.47 0.00 0.77 0.00 0.00 66.41 65.80 1wpg h THR 242 Cb 0.68 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1wpg h THR 242 CO 1.61 0.41 1.68 -0.62 0.37 0.00 0.00 175.52 178.98 1wpg n GLU 243 N -4.10 0.69 -2.70 6.66 -0.58 -1.26 -4.88 120.64 114.48 1wpg n GLU 243 Ca -0.01 -0.01 -0.43 0.00 -0.42 0.00 0.00 57.16 56.30 1wpg n GLU 243 Cb 0.42 -2.80 -0.02 0.00 -0.57 0.00 0.00 31.44 28.47 1wpg n GLU 243 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1wpg s GLN 244 N 8.53 4.25 -0.15 3.49 0.74 -1.26 -5.03 119.66 130.23 1wpg s GLN 244 Ca 1.11 1.30 -0.09 0.00 0.05 0.00 0.00 55.36 57.72 1wpg s GLN 244 Cb -0.54 -3.64 -0.05 0.00 1.10 0.00 0.00 33.01 29.89 1wpg s GLN 244 CO 0.34 -0.60 0.16 0.34 -0.55 0.00 0.00 175.29 174.98 1wpg s ASP 245 N 1.22 6.33 0.23 6.67 -1.08 -1.26 -5.09 116.67 123.70 1wpg s ASP 245 Ca 0.43 0.39 -0.24 0.00 -0.52 0.00 0.00 52.55 52.60 1wpg s ASP 245 Cb -0.15 -2.10 -0.09 0.00 -1.46 0.00 0.00 42.92 39.12 1wpg s ASP 245 CO 0.07 0.28 0.82 -0.54 0.52 0.00 0.00 175.17 176.31 1wpg s LYS 246 N -0.28 4.50 1.11 4.34 1.02 -1.26 -5.06 119.74 124.12 1wpg s LYS 246 Ca 0.12 1.14 -0.12 0.00 0.02 0.00 0.00 55.97 57.13 1wpg s LYS 246 Cb -0.12 -3.02 0.25 0.00 -0.52 0.00 0.00 37.83 34.42 1wpg s LYS 246 CO 0.02 0.43 1.05 0.95 -0.92 0.00 0.00 175.35 176.88 1wpg s THR 247 N -1.39 2.06 0.17 2.17 -4.23 -1.26 -4.67 115.64 108.49 1wpg s THR 247 Ca 0.42 0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.81 1wpg s THR 247 Cb -0.20 -2.17 0.06 0.00 1.34 0.00 0.00 72.50 71.53 1wpg s THR 247 CO 0.24 -0.03 1.77 1.55 -0.54 0.00 0.00 174.62 177.62 1wpg h PRO 248 N -2.41 0.38 -0.80 3.99 0.13 -1.96 0.51 132.00 131.83 1wpg h PRO 248 Ca -0.59 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.49 1wpg h PRO 248 Cb 1.33 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1wpg h PRO 248 CO 0.51 0.25 0.39 1.25 -0.23 0.00 0.00 178.00 180.17 1wpg h LEU 249 N 0.39 1.04 -1.20 1.56 5.85 -1.92 0.14 115.31 121.18 1wpg h LEU 249 Ca 0.20 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1wpg h LEU 249 Cb 0.15 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1wpg h LEU 249 CO -0.17 0.88 -0.28 1.56 -0.34 0.00 0.00 178.44 180.08 1wpg h GLN 250 N 1.14 0.19 -0.31 1.25 4.20 -1.74 -1.00 115.11 118.85 1wpg h GLN 250 Ca 0.28 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.75 1wpg h GLN 250 Cb 0.11 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1wpg h GLN 250 CO -0.04 0.47 -0.47 1.96 -0.67 0.00 0.00 178.83 180.08 1wpg h GLN 251 N 0.17 0.83 -0.06 1.46 4.20 0.22 -2.14 115.11 119.79 1wpg h GLN 251 Ca 0.03 -0.48 -0.08 0.00 0.06 0.00 0.00 58.65 58.17 1wpg h GLN 251 Cb 0.60 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1wpg h GLN 251 CO 0.04 1.12 -0.32 0.87 -0.67 0.00 0.00 178.83 179.87 1wpg h LYS 252 N 0.66 0.11 0.00 1.46 1.79 -0.48 -2.38 116.57 117.73 1wpg h LYS 252 Ca 0.03 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 1wpg h LYS 252 Cb 1.06 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 1wpg h LYS 252 CO 0.11 0.43 -0.40 -0.07 -1.08 0.00 0.00 179.45 178.44 1wpg h LEU 253 N 0.10 0.00 0.08 2.94 4.07 -1.00 -2.95 115.31 118.55 1wpg h LEU 253 Ca 0.01 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.70 1wpg h LEU 253 Cb 0.63 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.37 1wpg h LEU 253 CO 0.05 0.40 -1.20 0.44 -1.08 0.00 0.00 178.44 177.04 1wpg h ASP 254 N 0.00 0.47 0.70 -0.43 3.32 -0.90 -3.05 116.42 116.54 1wpg h ASP 254 Ca -0.00 -0.48 -0.11 0.00 0.02 0.00 0.00 57.03 56.46 1wpg h ASP 254 Cb 1.13 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1wpg h ASP 254 CO 0.05 1.35 -0.53 1.05 -1.72 0.00 0.00 179.24 179.45 1wpg h GLU 255 N 0.11 0.00 -0.26 3.56 4.11 -1.50 -2.38 114.58 118.22 1wpg h GLU 255 Ca -0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.29 1wpg h GLU 255 Cb 1.91 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.15 1wpg h GLU 255 CO 0.20 0.53 0.15 0.35 0.07 0.00 0.00 179.01 180.30 1wpg h PHE 256 N 0.00 0.35 0.00 2.06 3.57 -1.51 -1.71 116.94 119.70 1wpg h PHE 256 Ca -0.01 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1wpg h PHE 256 Cb 1.02 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1wpg h PHE 256 CO 0.00 0.29 -0.33 0.78 -2.23 0.00 0.00 178.31 176.81 1wpg h GLY 257 N 0.31 0.00 0.83 2.40 0.00 -1.41 -0.83 103.07 104.36 1wpg h GLY 257 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1wpg h GLY 257 CO -0.02 0.00 -0.40 0.83 0.00 0.00 0.00 176.54 176.96 1wpg h GLU 258 N 0.00 -1.07 -0.27 4.80 4.39 -0.84 -0.08 114.58 121.51 1wpg h GLU 258 Ca -0.00 0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 1wpg h GLU 258 Cb 0.64 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1wpg h GLU 258 CO 0.04 -0.71 -0.03 1.96 -1.16 0.00 0.00 179.01 179.11 1wpg h GLN 259 N -1.15 0.42 -0.29 2.33 1.08 -1.31 -2.81 115.11 113.38 1wpg h GLN 259 Ca -0.11 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 56.98 1wpg h GLN 259 Cb 0.85 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 1wpg h GLN 259 CO 0.19 0.47 0.11 1.25 -0.95 0.00 0.00 178.83 179.90 1wpg h LEU 260 N 0.40 0.41 -1.30 1.46 5.85 -1.06 0.81 115.31 121.88 1wpg h LEU 260 Ca 0.09 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1wpg h LEU 260 Cb 0.32 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1wpg h LEU 260 CO 0.01 0.48 0.00 0.77 -0.34 0.00 0.00 178.44 179.36 1wpg h SER 261 N 0.32 0.00 0.00 1.25 4.64 -0.75 -0.79 113.55 118.22 1wpg h SER 261 Ca 0.10 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.27 1wpg h SER 261 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1wpg h SER 261 CO -0.01 0.00 -0.90 0.50 -0.87 0.00 0.00 176.83 175.55 1wpg h LYS 262 N 0.00 0.00 -0.94 4.77 1.63 -1.11 -3.30 116.57 117.63 1wpg h LYS 262 Ca 0.00 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.87 1wpg h LYS 262 Cb 0.17 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.73 1wpg h LYS 262 CO 0.00 0.80 0.60 0.28 -3.45 0.00 0.00 179.45 177.68 1wpg h VAL 263 N -1.00 1.06 0.48 2.00 2.07 -0.53 0.82 116.25 121.14 1wpg h VAL 263 Ca -0.23 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1wpg h VAL 263 Cb 1.08 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1wpg h VAL 263 CO -0.14 0.20 -0.51 0.40 0.02 0.00 0.00 177.57 177.53 1wpg h ILE 264 N 1.08 0.00 -0.63 4.57 2.04 -1.32 0.16 117.51 123.41 1wpg h ILE 264 Ca 0.41 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.28 1wpg h ILE 264 Cb 0.18 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 1wpg h ILE 264 CO -0.18 0.00 0.42 0.77 0.00 0.00 0.00 178.15 179.16 1wpg h SER 265 N -1.00 0.73 -0.43 1.72 4.64 -1.56 -0.41 113.55 117.24 1wpg h SER 265 Ca -0.06 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1wpg h SER 265 Cb 0.88 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1wpg h SER 265 CO -0.08 0.52 0.28 0.25 -0.87 0.00 0.00 176.83 176.93 1wpg h LEU 266 N 0.86 0.49 -0.68 5.97 7.12 -0.24 0.49 115.31 129.31 1wpg h LEU 266 Ca 0.23 -0.01 -0.10 0.00 0.13 0.00 0.00 57.88 58.13 1wpg h LEU 266 Cb -0.09 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 39.90 1wpg h LEU 266 CO -0.05 0.35 -0.05 0.40 -0.13 0.00 0.00 178.44 178.96 1wpg h ILE 267 N 0.58 1.26 0.00 4.05 2.04 0.04 -0.77 117.51 124.71 1wpg h ILE 267 Ca 0.16 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 1wpg h ILE 267 Cb -0.06 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1wpg h ILE 267 CO -0.04 0.42 -0.03 0.00 0.00 0.00 0.00 178.15 178.50 1wpg h VAL 269 N 0.00 1.37 -0.47 0.00 2.07 -0.05 -2.82 116.25 116.35 1wpg h VAL 269 Ca -0.00 -2.21 0.04 0.00 0.82 0.00 0.00 66.70 65.35 1wpg h VAL 269 Cb 0.05 2.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 1wpg h VAL 269 CO 0.00 0.66 0.22 0.00 0.02 0.00 0.00 177.57 178.47 1wpg h ALA 270 N 0.32 0.58 -0.65 1.67 0.00 -0.06 -1.61 119.26 119.52 1wpg h ALA 270 Ca -0.11 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1wpg h ALA 270 Cb 1.54 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1wpg h ALA 270 CO 0.16 -0.14 0.25 0.28 0.00 0.00 0.00 179.25 179.80 1wpg h VAL 271 N 0.44 1.23 0.00 0.00 2.07 -1.19 0.27 116.25 119.07 1wpg h VAL 271 Ca 0.21 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1wpg h VAL 271 Cb 0.13 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1wpg h VAL 271 CO -0.16 0.29 0.00 1.87 0.02 0.00 0.00 177.57 179.59 1wpg n TRP 272 N -4.30 0.00 -0.04 1.57 -0.00 -0.81 -2.90 117.44 110.96 1wpg n TRP 272 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.52 1wpg n TRP 272 Cb 0.18 -0.34 -0.09 0.00 -0.00 0.00 0.00 31.31 31.07 1wpg n TRP 272 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1wpg n LEU 273 N -1.34 0.00 0.06 5.87 4.77 -0.51 -4.51 117.00 121.34 1wpg n LEU 273 Ca 0.09 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1wpg n LEU 273 Cb 0.20 0.22 0.16 0.00 -2.33 0.00 0.00 43.42 41.66 1wpg n LEU 273 CO 0.18 0.22 0.58 0.40 -1.33 0.00 0.00 177.39 177.43 1wpg h ILE 274 N 0.00 1.33 -1.10 -0.08 2.04 -0.42 -3.29 117.51 115.99 1wpg h ILE 274 Ca -0.24 -1.67 -0.75 0.00 1.00 0.00 0.00 64.86 63.21 1wpg h ILE 274 Cb 1.45 1.74 -0.13 0.00 -0.74 0.00 0.00 36.82 39.14 1wpg h ILE 274 CO 0.01 0.51 2.28 0.59 0.00 0.00 0.00 178.15 181.54 1wpg n ASN 275 N -3.98 5.17 0.00 1.72 3.02 -1.14 -4.69 115.26 115.36 1wpg n ASN 275 Ca -0.02 -3.06 -0.12 0.00 -0.03 0.00 0.00 54.58 51.35 1wpg n ASN 275 Cb 0.53 -1.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.11 1wpg n ASN 275 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1wpg h ILE 276 N 3.68 1.24 -1.05 2.41 2.04 -1.87 -3.35 117.51 120.60 1wpg h ILE 276 Ca 0.46 -1.37 -0.74 0.00 1.00 0.00 0.00 64.86 64.21 1wpg h ILE 276 Cb 0.60 2.08 -0.12 0.00 -0.74 0.00 0.00 36.82 38.64 1wpg h ILE 276 CO 1.67 0.32 2.34 0.61 0.00 0.00 0.00 178.15 183.08 1wpg n GLY 277 N 0.65 4.74 0.68 5.37 0.00 -1.26 -4.39 105.19 110.97 1wpg n GLY 277 Ca -0.08 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 1wpg n GLY 277 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wpg n HIS 278 N 4.06 0.00 -1.27 1.61 -0.00 -1.26 -4.70 115.22 113.67 1wpg n HIS 278 Ca 0.45 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.57 1wpg n HIS 278 Cb 0.35 -0.34 0.22 0.00 -0.12 0.00 0.00 29.99 30.10 1wpg n HIS 278 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1wpg n PHE 279 N -3.40 1.65 -0.01 1.57 3.01 -1.26 -4.47 117.46 114.54 1wpg n PHE 279 Ca -0.19 -1.46 -0.06 0.00 1.01 0.00 0.00 57.45 56.76 1wpg n PHE 279 Cb 0.63 -0.58 -0.12 0.00 -0.01 0.00 0.00 39.48 39.40 1wpg n PHE 279 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1wpg n ASN 280 N -0.88 0.79 -4.84 4.37 5.03 -1.26 -4.91 115.26 113.56 1wpg n ASN 280 Ca 0.37 0.37 -0.30 0.00 0.87 0.00 0.00 54.58 55.89 1wpg n ASN 280 Cb 1.19 0.11 -0.05 0.00 -1.02 0.00 0.00 39.78 40.00 1wpg n ASN 280 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 1wpg s ASP 281 N -5.93 5.88 -0.83 6.41 -4.77 -1.26 -5.00 116.67 111.17 1wpg s ASP 281 Ca -0.05 0.10 -0.21 0.00 -3.30 0.00 0.00 52.55 49.10 1wpg s ASP 281 Cb 0.08 -1.68 -0.18 0.00 -1.09 0.00 0.00 42.92 40.04 1wpg s ASP 281 CO 0.82 0.17 2.09 -2.65 0.70 0.00 0.00 175.17 176.30 1wpg n PRO 282 N 0.35 0.24 -4.24 2.11 -0.02 -1.26 -4.90 135.00 127.28 1wpg n PRO 282 Ca -0.07 -0.98 -0.34 0.00 -2.02 0.00 0.00 63.50 60.08 1wpg n PRO 282 Cb 0.51 -3.14 -0.10 0.00 -0.02 0.00 0.00 33.50 30.75 1wpg n PRO 282 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wpg s VAL 283 N 12.30 4.39 -0.03 -1.45 0.11 -1.26 -4.98 120.40 129.47 1wpg s VAL 283 Ca 0.81 -0.19 0.11 0.00 -2.93 0.00 0.00 61.98 59.78 1wpg s VAL 283 Cb -0.17 -2.92 -0.16 0.00 -1.53 0.00 0.00 36.38 31.60 1wpg s VAL 283 CO 0.17 0.53 0.20 1.57 -3.33 0.00 0.00 175.10 174.24 1wpg n HIS 284 N 3.00 0.00 0.14 1.54 -0.00 -1.26 -4.52 115.22 114.11 1wpg n HIS 284 Ca -0.18 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.00 1wpg n HIS 284 Cb 0.53 -0.31 0.18 0.00 -0.12 0.00 0.00 29.99 30.27 1wpg n HIS 284 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1wpg h GLY 285 N 2.05 0.00 -7.63 1.57 0.00 -2.00 -3.37 103.07 93.69 1wpg h GLY 285 Ca -0.06 0.00 -0.77 0.00 0.00 0.00 0.00 47.33 46.50 1wpg h GLY 285 CO 0.00 0.00 0.85 0.61 0.00 0.00 0.00 176.54 178.01 1wpg n GLY 286 N 0.38 3.86 3.76 4.60 0.00 -1.26 -4.95 105.19 111.57 1wpg n GLY 286 Ca -0.01 -2.34 -0.41 0.00 0.00 0.00 0.00 46.02 43.26 1wpg n GLY 286 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wpg s SER 287 N 1.95 6.54 0.44 1.61 0.15 -1.24 -4.88 113.70 118.28 1wpg s SER 287 Ca 0.36 2.82 0.30 0.00 0.70 0.00 0.00 55.95 60.13 1wpg s SER 287 Cb -0.07 -2.64 1.18 0.00 -1.71 0.00 0.00 66.02 62.78 1wpg s SER 287 CO -0.04 -0.76 1.87 -0.25 1.20 0.00 0.00 173.24 175.26 1wpg h TRP 288 N 4.23 0.00 0.12 3.44 2.91 -1.95 -1.48 115.95 123.22 1wpg h TRP 288 Ca -0.48 0.00 -0.33 0.00 1.13 0.00 0.00 58.89 59.22 1wpg h TRP 288 Cb 1.22 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.86 1wpg h TRP 288 CO 0.57 0.00 -1.73 0.82 -1.03 0.00 0.00 178.44 177.08 1wpg h ILE 289 N 0.00 0.81 -2.73 2.65 1.08 -2.02 -3.43 117.51 113.86 1wpg h ILE 289 Ca 0.00 -2.36 -0.60 0.00 -0.39 0.00 0.00 64.86 61.51 1wpg h ILE 289 Cb 0.49 2.56 -0.40 0.00 -3.07 0.00 0.00 36.82 36.41 1wpg h ILE 289 CO 0.00 0.77 -0.81 -0.13 -0.69 0.00 0.00 178.15 177.30 1wpg s ARG 290 N -2.52 1.27 0.00 2.37 3.00 -1.10 -4.84 118.95 117.14 1wpg s ARG 290 Ca -0.22 -2.21 0.00 0.00 0.00 0.00 0.00 55.73 53.31 1wpg s ARG 290 Cb 0.06 -2.08 0.00 0.00 0.00 0.00 0.00 34.95 32.93 1wpg s ARG 290 CO 0.76 -1.27 0.00 0.41 0.00 0.00 0.00 175.30 175.20 1wpg n GLY 291 N 3.07 0.68 0.00 -3.53 0.00 -0.57 -3.61 105.19 101.23 1wpg n GLY 291 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1wpg n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpg n ALA 292 N 0.00 2.34 0.26 4.61 0.00 -1.26 -3.43 120.51 123.03 1wpg n ALA 292 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1wpg n ALA 292 Cb 0.00 -1.12 0.56 0.00 0.00 0.00 0.00 19.45 18.89 1wpg n ALA 292 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1wpg n ILE 293 N -0.64 0.95 0.02 0.00 3.06 -1.26 -1.54 119.36 119.96 1wpg n ILE 293 Ca 0.05 0.54 -0.16 0.00 -2.50 0.00 0.00 62.75 60.68 1wpg n ILE 293 Cb 0.02 -1.51 -0.06 0.00 0.54 0.00 0.00 39.64 38.64 1wpg n ILE 293 CO 0.00 0.00 0.00 0.22 -2.50 0.00 0.00 176.55 174.27 1wpg h TYR 294 N 0.00 0.88 0.21 9.51 3.20 -1.99 -3.05 116.97 125.72 1wpg h TYR 294 Ca 0.00 -0.43 -0.28 0.00 3.14 0.00 0.00 58.73 61.16 1wpg h TYR 294 Cb 0.15 -0.12 0.03 0.00 1.54 0.00 0.00 36.73 38.33 1wpg h TYR 294 CO 0.00 1.25 -1.22 1.88 -1.64 0.00 0.00 178.16 178.43 1wpg h TYR 295 N 0.40 0.80 0.00 -3.82 -1.99 -1.57 -3.06 116.97 107.72 1wpg h TYR 295 Ca -0.07 -0.58 0.00 0.00 2.00 0.00 0.00 58.73 60.08 1wpg h TYR 295 Cb 1.50 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 40.19 1wpg h TYR 295 CO 0.08 1.47 0.00 1.19 -0.00 0.00 0.00 178.16 180.89 1wpg n PHE 296 N -3.89 0.00 -0.11 4.88 3.01 -0.89 -0.15 117.46 120.30 1wpg n PHE 296 Ca -0.16 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.05 1wpg n PHE 296 Cb 0.99 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 40.35 1wpg n PHE 296 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1wpg n LYS 297 N -0.99 0.61 0.08 -1.08 4.81 -1.15 -4.10 118.16 116.34 1wpg n LYS 297 Ca 0.10 0.33 -0.10 0.00 -0.87 0.00 0.00 58.31 57.77 1wpg n LYS 297 Cb 0.05 -1.59 -0.02 0.00 0.02 0.00 0.00 35.03 33.49 1wpg n LYS 297 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1wpg h ILE 298 N -0.73 1.45 -0.79 3.15 2.04 -1.31 -2.68 117.51 118.63 1wpg h ILE 298 Ca -0.56 -2.53 0.07 0.00 1.00 0.00 0.00 64.86 62.84 1wpg h ILE 298 Cb 1.62 2.43 -0.05 0.00 -0.74 0.00 0.00 36.82 40.08 1wpg h ILE 298 CO -0.27 0.74 0.52 0.00 0.00 0.00 0.00 178.15 179.15 1wpg h ALA 299 N 0.89 1.67 0.05 1.87 0.00 -0.76 0.38 119.26 123.36 1wpg h ALA 299 Ca -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wpg h ALA 299 Cb 1.52 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1wpg h ALA 299 CO 0.14 0.20 -0.03 0.28 0.00 0.00 0.00 179.25 179.85 1wpg h VAL 300 N 0.82 1.29 -0.46 0.00 2.07 -1.69 -2.79 116.25 115.49 1wpg h VAL 300 Ca 0.35 -1.47 0.07 0.00 0.82 0.00 0.00 66.70 66.47 1wpg h VAL 300 Cb 0.29 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 1wpg h VAL 300 CO -0.13 0.35 0.31 0.00 0.02 0.00 0.00 177.57 178.13 1wpg h ALA 301 N 0.07 2.02 -0.09 1.67 0.00 -1.08 -1.40 119.26 120.45 1wpg h ALA 301 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1wpg h ALA 301 Cb 0.63 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1wpg h ALA 301 CO 0.01 -0.11 -0.05 -0.07 0.00 0.00 0.00 179.25 179.03 1wpg h LEU 302 N 0.32 0.20 0.34 0.00 3.38 -0.28 -1.87 115.31 117.39 1wpg h LEU 302 Ca 0.21 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1wpg h LEU 302 Cb 0.41 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1wpg h LEU 302 CO -0.05 0.58 -0.16 0.00 0.09 0.00 0.00 178.44 178.90 1wpg h ALA 303 N 0.63 -0.45 -0.11 1.53 0.00 -1.12 -0.19 119.26 119.55 1wpg h ALA 303 Ca 0.02 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1wpg h ALA 303 Cb 0.50 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1wpg h ALA 303 CO 0.01 -0.75 0.10 0.28 0.00 0.00 0.00 179.25 178.90 1wpg h VAL 304 N -0.46 0.64 0.15 0.00 2.07 -1.33 -0.75 116.25 116.58 1wpg h VAL 304 Ca -0.05 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.18 1wpg h VAL 304 Cb 0.35 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1wpg h VAL 304 CO 0.08 0.00 -1.37 0.00 0.02 0.00 0.00 177.57 176.30 1wpg h ALA 305 N 1.90 0.10 0.15 1.67 0.00 -0.68 -3.37 119.26 119.01 1wpg h ALA 305 Ca 0.05 -0.94 -0.24 0.00 0.00 0.00 0.00 54.91 53.78 1wpg h ALA 305 Cb 0.26 0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.19 1wpg h ALA 305 CO -0.00 0.97 -1.01 0.00 0.00 0.00 0.00 179.25 179.21 1wpg h ALA 306 N 0.48 -0.08 -2.30 0.00 0.00 -0.30 -3.40 119.26 113.66 1wpg h ALA 306 Ca -0.19 -0.73 -0.55 0.00 0.00 0.00 0.00 54.91 53.44 1wpg h ALA 306 Cb 2.02 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 1wpg h ALA 306 CO 0.21 0.49 0.77 0.42 0.00 0.00 0.00 179.25 181.14 1wpg s ILE 307 N -2.66 4.11 -1.38 0.00 -1.09 -0.36 -4.84 121.20 114.98 1wpg s ILE 307 Ca -0.12 1.44 -0.13 0.00 -2.23 0.00 0.00 60.65 59.61 1wpg s ILE 307 Cb 0.03 -3.93 0.09 0.00 -1.58 0.00 0.00 42.46 37.07 1wpg s ILE 307 CO 0.87 -0.02 2.06 -0.81 -1.23 0.00 0.00 174.94 175.81 1wpg n PRO 308 N 5.50 3.14 -0.49 2.79 -0.04 -1.26 -4.82 135.00 139.82 1wpg n PRO 308 Ca 0.12 -2.98 0.41 0.00 -0.04 0.00 0.00 63.50 61.01 1wpg n PRO 308 Cb 0.45 -3.18 0.68 0.00 -0.04 0.00 0.00 33.50 31.41 1wpg n PRO 308 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wpg n GLU 309 N 5.52 -0.03 0.00 0.54 4.71 -1.26 -0.35 120.64 129.77 1wpg n GLU 309 Ca 0.47 1.19 0.12 0.00 -0.01 0.00 0.00 57.16 58.94 1wpg n GLU 309 Cb 0.39 -2.40 0.30 0.00 -1.01 0.00 0.00 31.44 28.71 1wpg n GLU 309 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1wpg n GLY 310 N -1.56 -0.92 0.18 0.62 0.00 -1.03 -4.42 105.19 98.06 1wpg n GLY 310 Ca 0.40 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1wpg n GLY 310 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wpg h LEU 311 N 0.62 -0.40 -2.38 0.99 5.85 -0.95 -1.70 115.31 117.34 1wpg h LEU 311 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1wpg h LEU 311 Cb 0.51 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1wpg h LEU 311 CO 0.00 -0.17 0.12 1.55 -0.34 0.00 0.00 178.44 179.60 1wpg h PRO 312 N -0.14 0.00 0.13 5.25 0.13 -1.77 -1.38 132.00 134.23 1wpg h PRO 312 Ca 0.10 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.88 1wpg h PRO 312 Cb 0.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1wpg h PRO 312 CO -0.24 0.00 -1.83 0.00 -0.23 0.00 0.00 178.00 175.70 1wpg h ALA 313 N 1.75 0.36 -0.01 -0.56 0.00 -1.60 -3.22 119.26 115.97 1wpg h ALA 313 Ca 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 54.91 53.49 1wpg h ALA 313 Cb 0.24 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1wpg h ALA 313 CO 0.00 1.23 -0.63 -0.24 0.00 0.00 0.00 179.25 179.61 1wpg h VAL 314 N 0.08 1.44 0.13 0.00 3.04 -0.88 -2.07 116.25 117.98 1wpg h VAL 314 Ca -0.36 -2.12 -0.01 0.00 -1.01 0.00 0.00 66.70 63.20 1wpg h VAL 314 Cb 2.05 2.13 0.00 0.00 -2.01 0.00 0.00 31.29 33.46 1wpg h VAL 314 CO 0.13 0.61 -0.06 0.40 -1.01 0.00 0.00 177.57 177.64 1wpg h ILE 315 N 0.04 1.02 -0.87 3.17 2.04 -1.42 -1.00 117.51 120.48 1wpg h ILE 315 Ca -0.01 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1wpg h ILE 315 Cb 1.12 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 1wpg h ILE 315 CO 0.09 0.15 0.52 0.74 0.00 0.00 0.00 178.15 179.65 1wpg h THR 316 N -0.47 1.24 -0.60 -0.27 2.02 -1.56 0.13 112.91 113.40 1wpg h THR 316 Ca -0.02 -0.53 -0.08 0.00 0.77 0.00 0.00 66.41 66.55 1wpg h THR 316 Cb 0.38 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1wpg h THR 316 CO 0.03 0.25 0.06 0.74 0.37 0.00 0.00 175.52 176.97 1wpg h THR 317 N 1.20 1.26 -0.27 3.16 2.02 -1.29 0.18 112.91 119.17 1wpg h THR 317 Ca 0.31 -1.05 -0.10 0.00 0.77 0.00 0.00 66.41 66.34 1wpg h THR 317 Cb -0.05 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1wpg h THR 317 CO -0.06 0.39 -0.21 0.00 0.37 0.00 0.00 175.52 176.01 1wpg h LEU 319 N 0.34 0.99 -0.71 0.00 4.07 -0.56 -1.11 115.31 118.33 1wpg h LEU 319 Ca 0.05 -0.22 -0.03 0.00 0.08 0.00 0.00 57.88 57.76 1wpg h LEU 319 Cb 0.75 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.20 1wpg h LEU 319 CO 0.05 0.97 0.31 0.00 -1.08 0.00 0.00 178.44 178.70 1wpg h ALA 320 N 1.14 0.92 -0.64 1.53 0.00 -0.58 0.85 119.26 122.48 1wpg h ALA 320 Ca 0.20 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1wpg h ALA 320 Cb 0.40 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1wpg h ALA 320 CO 0.01 0.52 0.05 -0.07 0.00 0.00 0.00 179.25 179.76 1wpg h LEU 321 N 1.01 1.06 -0.56 0.00 3.38 -1.06 -2.42 115.31 116.72 1wpg h LEU 321 Ca 0.24 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1wpg h LEU 321 Cb 0.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1wpg h LEU 321 CO -0.02 1.08 0.03 1.23 0.09 0.00 0.00 178.44 180.85 1wpg h GLY 322 N 1.02 1.05 0.66 0.83 0.00 -0.72 -2.38 103.07 103.53 1wpg h GLY 322 Ca 0.19 -0.75 0.06 0.00 0.00 0.00 0.00 47.33 46.83 1wpg h GLY 322 CO 0.02 0.69 0.36 -0.84 0.00 0.00 0.00 176.54 176.77 1wpg h THR 323 N 0.86 0.96 -0.13 4.70 2.02 -0.60 -0.54 112.91 120.17 1wpg h THR 323 Ca 0.16 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 1wpg h THR 323 Cb 0.50 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1wpg h THR 323 CO 0.02 0.12 -0.31 0.03 0.37 0.00 0.00 175.52 175.75 1wpg h ARG 324 N 0.67 0.26 -0.55 6.66 3.08 -1.31 -1.46 114.38 121.73 1wpg h ARG 324 Ca 0.30 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.18 1wpg h ARG 324 Cb 0.20 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1wpg h ARG 324 CO -0.19 0.55 0.09 -0.09 -1.07 0.00 0.00 179.97 179.26 1wpg h ARG 325 N 0.23 0.92 -0.13 0.04 2.43 -0.62 -2.70 114.38 114.53 1wpg h ARG 325 Ca 0.03 -0.25 -0.16 0.00 -0.81 0.00 0.00 59.98 58.79 1wpg h ARG 325 Cb 0.68 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1wpg h ARG 325 CO 0.05 0.88 -0.61 0.52 -1.51 0.00 0.00 179.97 179.31 1wpg h MET 326 N 0.81 0.46 -0.01 0.20 2.86 -0.91 -2.69 114.93 115.64 1wpg h MET 326 Ca 0.17 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1wpg h MET 326 Cb 0.41 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 1wpg h MET 326 CO 0.01 0.93 -0.01 0.00 1.06 0.00 0.00 176.91 178.90 1wpg h ALA 327 N 1.00 1.96 0.00 6.32 0.00 -1.06 0.56 119.26 128.05 1wpg h ALA 327 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1wpg h ALA 327 Cb 1.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1wpg h ALA 327 CO 0.11 0.03 -0.18 -0.22 0.00 0.00 0.00 179.25 178.98 1wpg h LYS 328 N 0.01 0.00 -0.66 0.00 3.64 -1.15 -0.76 116.57 117.66 1wpg h LYS 328 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1wpg h LYS 328 Cb 0.03 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 1wpg h LYS 328 CO 0.00 0.18 0.09 1.63 -2.27 0.00 0.00 179.45 179.08 1wpg n LYS 329 N -3.76 4.40 -2.38 1.90 5.02 0.18 -4.91 118.16 118.62 1wpg n LYS 329 Ca -0.02 -3.00 -0.16 0.00 -2.02 0.00 0.00 58.31 53.11 1wpg n LYS 329 Cb 0.29 -2.22 -0.00 0.00 -0.02 0.00 0.00 35.03 33.07 1wpg n LYS 329 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wpg n ASN 330 N 0.37 -4.87 -4.06 4.39 3.02 -0.29 -4.89 115.26 108.94 1wpg n ASN 330 Ca 0.31 -0.04 -0.33 0.00 -0.03 0.00 0.00 54.58 54.48 1wpg n ASN 330 Cb 1.22 -3.95 -0.13 0.00 -0.61 0.00 0.00 39.78 36.31 1wpg n ASN 330 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wpg s ALA 331 N -2.84 3.10 -0.29 5.41 0.00 -0.25 -1.90 121.76 124.98 1wpg s ALA 331 Ca 0.03 -2.68 -0.25 0.00 0.00 0.00 0.00 51.96 49.06 1wpg s ALA 331 Cb -0.01 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1wpg s ALA 331 CO 0.04 -1.80 0.86 0.42 0.00 0.00 0.00 175.76 175.28 1wpg s ILE 332 N 0.78 4.75 -0.20 0.00 1.01 -0.14 -2.70 121.20 124.71 1wpg s ILE 332 Ca 0.11 1.42 -0.12 0.00 0.00 0.00 0.00 60.65 62.06 1wpg s ILE 332 Cb -0.21 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 1wpg s ILE 332 CO -0.05 -0.25 0.22 -0.69 0.00 0.00 0.00 174.94 174.17 1wpg s VAL 333 N 3.07 5.34 -0.13 2.92 1.01 -1.26 -0.41 120.40 130.94 1wpg s VAL 333 Ca 0.36 0.36 0.22 0.00 0.00 0.00 0.00 61.98 62.92 1wpg s VAL 333 Cb -0.14 -3.56 -0.32 0.00 0.00 0.00 0.00 36.38 32.36 1wpg s VAL 333 CO 0.11 0.38 0.53 0.54 0.00 0.00 0.00 175.10 176.67 1wpg n ARG 334 N 3.81 0.59 -3.98 2.72 1.74 0.18 -4.83 116.66 116.90 1wpg n ARG 334 Ca -0.14 -0.17 -0.31 0.00 -0.77 0.00 0.00 57.85 56.46 1wpg n ARG 334 Cb 0.52 -1.52 -0.16 0.00 -1.02 0.00 0.00 32.46 30.28 1wpg n ARG 334 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wpg s SER 335 N -4.38 3.82 0.19 0.55 0.15 -1.14 -5.03 113.70 107.86 1wpg s SER 335 Ca -0.06 -1.13 -0.12 0.00 0.70 0.00 0.00 55.95 55.33 1wpg s SER 335 Cb 0.14 -1.25 0.17 0.00 -1.71 0.00 0.00 66.02 63.37 1wpg s SER 335 CO 0.90 -0.20 1.77 -0.07 1.20 0.00 0.00 173.24 176.84 1wpg h LEU 336 N 7.93 0.29 -0.37 3.45 -0.00 -1.92 -2.05 115.31 122.64 1wpg h LEU 336 Ca -0.21 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 1wpg h LEU 336 Cb 1.07 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 1wpg h LEU 336 CO 0.44 0.20 0.00 -0.81 -0.00 0.00 0.00 178.44 178.27 1wpg n PRO 337 N -4.94 0.63 -0.05 1.13 -0.04 -1.26 -2.91 135.00 127.56 1wpg n PRO 337 Ca 0.05 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 1wpg n PRO 337 Cb 0.18 -1.12 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 1wpg n PRO 337 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wpg n SER 338 N -0.25 0.88 -0.28 3.54 7.64 -0.77 -3.99 113.62 120.39 1wpg n SER 338 Ca 0.00 0.22 0.07 0.00 1.01 0.00 0.00 58.87 60.16 1wpg n SER 338 Cb 0.06 0.11 0.21 0.00 -1.01 0.00 0.00 64.21 63.58 1wpg n SER 338 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1wpg h VAL 339 N 0.01 0.67 0.08 0.44 -1.51 -1.68 0.40 116.25 114.67 1wpg h VAL 339 Ca -0.41 -0.18 -0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1wpg h VAL 339 Cb 2.08 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1wpg h VAL 339 CO 0.05 0.10 -0.04 1.05 -1.23 0.00 0.00 177.57 177.50 1wpg h GLU 340 N 0.52 -0.10 -0.99 5.19 4.11 -1.79 -3.25 114.58 118.27 1wpg h GLU 340 Ca 0.45 0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.96 1wpg h GLU 340 Cb 0.68 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.88 1wpg h GLU 340 CO -0.40 0.24 0.64 1.15 0.07 0.00 0.00 179.01 180.71 1wpg h THR 341 N -0.46 1.06 -0.49 -1.06 2.02 -1.45 -1.85 112.91 110.69 1wpg h THR 341 Ca -0.01 -0.39 0.10 0.00 0.77 0.00 0.00 66.41 66.88 1wpg h THR 341 Cb 0.39 -0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 1wpg h THR 341 CO 0.02 0.21 0.34 0.25 0.37 0.00 0.00 175.52 176.70 1wpg h LEU 342 N 1.13 0.20 -0.67 2.58 6.46 -0.98 0.10 115.31 124.12 1wpg h LEU 342 Ca 0.43 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.20 1wpg h LEU 342 Cb 0.21 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1wpg h LEU 342 CO -0.18 0.12 0.00 1.23 -0.62 0.00 0.00 178.44 178.99 1wpg h GLY 343 N 0.22 0.00 -1.16 3.75 0.00 -1.42 -2.60 103.07 101.86 1wpg h GLY 343 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1wpg h GLY 343 CO -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 176.35 1wpg n THR 345 N 0.54 0.21 -0.01 0.00 -1.04 -0.98 -4.52 114.28 108.48 1wpg n THR 345 Ca 0.14 -0.04 0.03 0.00 -2.04 0.00 0.00 64.05 62.14 1wpg n THR 345 Cb 0.49 -1.88 -0.06 0.00 -1.82 0.00 0.00 70.33 67.06 1wpg n THR 345 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1wpg n SER 346 N 4.74 3.08 -3.80 8.00 3.41 -0.65 -4.77 113.62 123.62 1wpg n SER 346 Ca 0.18 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.58 1wpg n SER 346 Cb 0.33 1.26 -0.17 0.00 -0.26 0.00 0.00 64.21 65.37 1wpg n SER 346 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wpg s VAL 347 N -2.51 0.34 -0.35 -3.33 1.01 -1.19 -1.55 120.40 112.82 1wpg s VAL 347 Ca -0.03 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 1wpg s VAL 347 Cb 0.05 -0.47 0.05 0.00 0.00 0.00 0.00 36.38 36.01 1wpg s VAL 347 CO 0.34 0.23 0.12 -0.63 0.00 0.00 0.00 175.10 175.17 1wpg s ILE 348 N 1.60 3.81 0.22 2.22 1.01 0.90 -1.11 121.20 129.86 1wpg s ILE 348 Ca -0.01 -1.19 -0.22 0.00 0.00 0.00 0.00 60.65 59.24 1wpg s ILE 348 Cb -0.13 -3.19 -0.08 0.00 0.01 0.00 0.00 42.46 39.07 1wpg s ILE 348 CO -0.03 -0.23 0.77 0.00 0.00 0.00 0.00 174.94 175.45 1wpg s SER 350 N -1.53 -0.21 0.79 0.00 0.15 0.27 -1.15 113.70 112.02 1wpg s SER 350 Ca 0.42 0.42 -0.11 0.00 0.70 0.00 0.00 55.95 57.39 1wpg s SER 350 Cb -0.18 0.37 0.07 0.00 -1.71 0.00 0.00 66.02 64.57 1wpg s SER 350 CO 0.23 -0.11 1.10 -0.62 1.20 0.00 0.00 173.24 175.03 1wpg s ASP 351 N 0.66 4.26 0.00 5.45 3.68 -0.25 -0.34 116.67 130.13 1wpg s ASP 351 Ca -0.05 1.91 0.00 0.00 2.13 0.00 0.00 52.55 56.54 1wpg s ASP 351 Cb -0.06 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.88 1wpg s ASP 351 CO -0.04 -2.20 0.00 1.17 0.13 0.00 0.00 175.17 174.23 1wpg n LYS 352 N -3.57 0.00 -1.64 4.34 4.81 -1.26 -3.53 118.16 117.31 1wpg n LYS 352 Ca 0.10 0.00 -0.49 0.00 -0.87 0.00 0.00 58.31 57.04 1wpg n LYS 352 Cb 0.53 -0.24 -0.05 0.00 0.02 0.00 0.00 35.03 35.29 1wpg n LYS 352 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1wpg n THR 353 N -1.97 0.47 0.00 3.15 -1.04 -1.26 0.60 114.28 114.23 1wpg n THR 353 Ca 0.00 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1wpg n THR 353 Cb 0.00 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 66.67 1wpg n THR 353 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wpg n GLY 354 N 4.87 2.39 0.45 3.41 0.00 -1.06 -4.78 105.19 110.47 1wpg n GLY 354 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1wpg n GLY 354 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wpg n THR 355 N -2.00 0.00 0.08 2.61 -1.04 -0.33 -4.72 114.28 108.88 1wpg n THR 355 Ca 0.00 0.22 -0.06 0.00 -2.04 0.00 0.00 64.05 62.17 1wpg n THR 355 Cb 0.00 -1.20 0.08 0.00 -1.82 0.00 0.00 70.33 67.39 1wpg n THR 355 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1wpg h LEU 356 N 0.00 0.28-10.25 -4.42 4.07 0.11 -3.46 115.31 101.65 1wpg h LEU 356 Ca 0.00 -0.18 -0.56 0.00 0.08 0.00 0.00 57.88 57.21 1wpg h LEU 356 Cb 0.00 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 41.60 1wpg h LEU 356 CO 0.00 0.88 -0.35 0.42 -1.08 0.00 0.00 178.44 178.32 1wpg s THR 357 N -3.60 1.94 -0.72 0.22 -4.23 -0.61 -1.00 115.64 107.64 1wpg s THR 357 Ca -0.04 -1.50 0.25 0.00 -1.18 0.00 0.00 61.69 59.23 1wpg s THR 357 Cb 0.11 -2.43 0.12 0.00 1.34 0.00 0.00 72.50 71.64 1wpg s THR 357 CO 0.81 0.00 1.48 0.35 -0.54 0.00 0.00 174.62 176.72 1wpg n THR 358 N -1.64 0.36 -3.60 3.99 -2.24 -0.69 -2.56 114.28 107.91 1wpg n THR 358 Ca -0.01 -0.23 -0.24 0.00 -2.27 0.00 0.00 64.05 61.30 1wpg n THR 358 Cb 0.64 -0.23 0.08 0.00 -2.10 0.00 0.00 70.33 68.72 1wpg n THR 358 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1wpg n ASN 359 N -2.06 -6.08 -3.59 3.42 4.05 -1.26 -4.65 115.26 105.08 1wpg n ASN 359 Ca 0.04 -0.55 -0.29 0.00 0.45 0.00 0.00 54.58 54.23 1wpg n ASN 359 Cb 0.42 -5.02 -0.15 0.00 1.23 0.00 0.00 39.78 36.26 1wpg n ASN 359 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1wpg s GLN 360 N -6.26 0.31 0.08 1.20 -0.21 -1.26 -4.94 119.66 108.57 1wpg s GLN 360 Ca 0.55 -0.61 -0.36 0.00 0.02 0.00 0.00 55.36 54.97 1wpg s GLN 360 Cb -0.24 -1.42 -0.15 0.00 1.00 0.00 0.00 33.01 32.20 1wpg s GLN 360 CO 0.73 -0.97 1.51 -1.33 -2.12 0.00 0.00 175.29 173.11 1wpg n MET 361 N 5.16 1.64 -4.28 2.91 2.81 -1.26 -4.46 117.12 119.63 1wpg n MET 361 Ca -0.05 0.59 -0.21 0.00 -1.81 0.00 0.00 57.70 56.22 1wpg n MET 361 Cb 0.43 -2.31 -0.16 0.00 -0.71 0.00 0.00 33.22 30.47 1wpg n MET 361 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1wpg s SER 362 N 1.16 1.11 -0.17 7.83 0.01 -0.50 -4.38 113.70 118.74 1wpg s SER 362 Ca 0.84 -0.17 -0.29 0.00 1.31 0.00 0.00 55.95 57.64 1wpg s SER 362 Cb -0.83 -0.48 -0.00 0.00 0.21 0.00 0.00 66.02 64.92 1wpg s SER 362 CO 0.45 -0.01 1.03 -0.69 0.41 0.00 0.00 173.24 174.42 1wpg s VAL 363 N 0.69 4.72 -0.29 3.43 1.01 -1.26 -1.51 120.40 127.18 1wpg s VAL 363 Ca -0.10 2.03 0.06 0.00 0.00 0.00 0.00 61.98 63.97 1wpg s VAL 363 Cb -0.13 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 31.87 1wpg s VAL 363 CO 0.01 -0.10 0.26 0.00 0.00 0.00 0.00 175.10 175.28 1wpg s LYS 365 N -1.58 0.48 0.15 0.00 1.02 -1.08 -0.11 119.74 118.62 1wpg s LYS 365 Ca 0.02 -0.07 -0.19 0.00 0.02 0.00 0.00 55.97 55.75 1wpg s LYS 365 Cb 0.05 0.21 0.05 0.00 -0.52 0.00 0.00 37.83 37.61 1wpg s LYS 365 CO 0.25 -0.11 0.50 0.00 -0.92 0.00 0.00 175.35 175.07 1wpg s MET 366 N -0.83 1.21 0.10 1.68 0.23 -0.94 0.62 119.30 121.36 1wpg s MET 366 Ca -0.09 -0.66 -0.19 0.00 -1.03 0.00 0.00 55.69 53.72 1wpg s MET 366 Cb -0.05 0.52 0.04 0.00 -1.53 0.00 0.00 34.83 33.82 1wpg s MET 366 CO 0.02 -0.50 0.46 -0.59 -2.03 0.00 0.00 175.02 172.38 1wpg s PHE 367 N -3.80 -0.32 0.25 3.16 -0.71 -0.48 -1.11 117.98 114.97 1wpg s PHE 367 Ca 0.03 0.15 0.01 0.00 -1.04 0.00 0.00 56.93 56.09 1wpg s PHE 367 Cb 0.00 0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 42.08 1wpg s PHE 367 CO -0.10 -0.69 0.13 0.96 -1.34 0.00 0.00 175.22 174.18 1wpg s ILE 368 N -3.23 0.28 0.33 -4.49 -4.36 -0.97 -1.62 121.20 107.14 1wpg s ILE 368 Ca -0.01 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.11 1wpg s ILE 368 Cb 0.00 -2.55 -0.09 0.00 1.25 0.00 0.00 42.46 41.07 1wpg s ILE 368 CO -0.08 0.00 1.11 -0.63 0.24 0.00 0.00 174.94 175.58 1wpg s ILE 369 N -3.85 3.44 -0.11 8.37 -1.09 -1.26 -0.68 121.20 126.02 1wpg s ILE 369 Ca 0.38 1.34 -0.13 0.00 -2.23 0.00 0.00 60.65 60.01 1wpg s ILE 369 Cb 0.07 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1wpg s ILE 369 CO 0.15 0.23 -0.25 -0.67 -1.23 0.00 0.00 174.94 173.17 1wpg n ASP 370 N 0.74 1.52 -3.97 3.58 4.64 0.30 -4.56 116.55 118.80 1wpg n ASP 370 Ca 0.01 0.25 -0.09 0.00 -1.38 0.00 0.00 54.79 53.58 1wpg n ASP 370 Cb 0.46 -0.64 -0.10 0.00 -1.04 0.00 0.00 41.12 39.80 1wpg n ASP 370 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1wpg s LYS 371 N -2.49 0.43 -0.06 -0.67 1.02 -1.08 -4.89 119.74 112.01 1wpg s LYS 371 Ca -0.21 -0.68 -0.00 0.00 0.02 0.00 0.00 55.97 55.10 1wpg s LYS 371 Cb 0.03 0.16 0.02 0.00 -0.52 0.00 0.00 37.83 37.52 1wpg s LYS 371 CO 0.30 -0.09 -0.03 0.08 -0.92 0.00 0.00 175.35 174.70 1wpg s VAL 372 N -1.97 0.48 -0.39 3.17 1.01 -1.26 -1.46 120.40 119.97 1wpg s VAL 372 Ca -0.11 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1wpg s VAL 372 Cb -0.06 -0.56 0.16 0.00 0.00 0.00 0.00 36.38 35.93 1wpg s VAL 372 CO -0.02 0.24 0.45 -0.62 0.00 0.00 0.00 175.10 175.15 1wpg s ASP 373 N 1.38 0.39 1.97 3.32 -1.08 0.76 -5.01 116.67 118.40 1wpg s ASP 373 Ca -0.04 -1.46 0.00 0.00 -0.52 0.00 0.00 52.55 50.53 1wpg s ASP 373 Cb -0.13 0.93 0.00 0.00 -1.46 0.00 0.00 42.92 42.26 1wpg s ASP 373 CO -0.03 -0.22 0.00 0.61 0.52 0.00 0.00 175.17 176.05 1wpg n GLY 374 N 4.17 3.15 0.16 2.66 0.00 -1.26 -0.71 105.19 113.36 1wpg n GLY 374 Ca 0.12 0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.53 1wpg n GLY 374 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wpg h ASP 375 N 0.00 0.00 -3.34 1.61 3.45 -1.99 -3.45 116.42 112.70 1wpg h ASP 375 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 1wpg h ASP 375 Cb 0.00 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.71 1wpg h ASP 375 CO 0.00 0.00 0.01 0.12 -1.57 0.00 0.00 179.24 177.80 1wpg s PHE 376 N -3.21 3.60 -0.17 4.55 5.36 0.12 -4.83 117.98 123.39 1wpg s PHE 376 Ca 0.08 1.17 -0.04 0.00 -0.96 0.00 0.00 56.93 57.17 1wpg s PHE 376 Cb 0.09 -2.69 0.08 0.00 -0.34 0.00 0.00 43.02 40.16 1wpg s PHE 376 CO 0.59 0.19 0.23 0.00 -1.46 0.00 0.00 175.22 174.77 1wpg s SER 378 N 2.36 5.07 0.21 0.00 1.04 -0.54 -4.97 113.70 116.87 1wpg s SER 378 Ca 0.05 -0.39 0.10 0.00 0.48 0.00 0.00 55.95 56.19 1wpg s SER 378 Cb -0.14 -1.16 -0.05 0.00 0.10 0.00 0.00 66.02 64.77 1wpg s SER 378 CO -0.11 0.01 -0.19 -0.76 0.98 0.00 0.00 173.24 173.18 1wpg s LEU 379 N -3.52 2.50 -0.42 2.42 1.43 -1.26 -0.54 118.68 119.29 1wpg s LEU 379 Ca 0.31 -0.94 -0.08 0.00 -1.03 0.00 0.00 54.13 52.39 1wpg s LEU 379 Cb -0.08 -0.94 0.09 0.00 0.03 0.00 0.00 46.19 45.29 1wpg s LEU 379 CO 0.22 -0.01 0.25 0.20 0.23 0.00 0.00 176.35 177.24 1wpg s ASN 380 N -3.03 5.54 -0.08 2.29 0.01 0.14 -4.65 114.94 115.17 1wpg s ASN 380 Ca 0.22 -1.66 -0.05 0.00 -0.71 0.00 0.00 52.86 50.66 1wpg s ASN 380 Cb -0.05 -1.95 -0.04 0.00 0.41 0.00 0.00 41.25 39.62 1wpg s ASN 380 CO 0.10 -0.55 0.14 -1.61 -1.51 0.00 0.00 177.10 173.67 1wpg s GLU 381 N 1.35 3.38 0.12 -0.60 2.02 -1.26 -2.28 118.70 121.43 1wpg s GLU 381 Ca 0.04 -0.23 0.04 0.00 0.02 0.00 0.00 54.97 54.83 1wpg s GLU 381 Cb -0.23 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 1wpg s GLU 381 CO 0.00 0.73 -0.10 -0.06 0.02 0.00 0.00 175.26 175.86 1wpg s PHE 382 N -1.12 1.12 0.27 1.61 0.40 -0.27 -4.76 117.98 115.23 1wpg s PHE 382 Ca 0.19 -0.74 0.11 0.00 -0.60 0.00 0.00 56.93 55.90 1wpg s PHE 382 Cb -0.12 -0.60 -0.05 0.00 0.51 0.00 0.00 43.02 42.76 1wpg s PHE 382 CO 0.09 0.01 -0.15 -1.54 0.70 0.00 0.00 175.22 174.33 1wpg s SER 383 N -2.83 3.83 -0.02 1.36 1.04 -0.21 -2.21 113.70 114.65 1wpg s SER 383 Ca 0.11 -0.92 0.03 0.00 0.48 0.00 0.00 55.95 55.64 1wpg s SER 383 Cb 0.01 -0.44 -0.00 0.00 0.10 0.00 0.00 66.02 65.69 1wpg s SER 383 CO -0.01 0.03 -0.10 -0.63 0.98 0.00 0.00 173.24 173.52 1wpg s ILE 384 N -2.42 0.79 0.30 -1.02 -1.09 0.84 -0.55 121.20 118.06 1wpg s ILE 384 Ca 0.30 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 58.37 1wpg s ILE 384 Cb -0.06 -0.68 -0.02 0.00 -1.58 0.00 0.00 42.46 40.12 1wpg s ILE 384 CO 0.16 0.24 0.45 0.42 -1.23 0.00 0.00 174.94 174.97 1wpg s THR 385 N -0.02 4.70 0.00 2.92 -4.23 -0.65 -4.58 115.64 113.77 1wpg s THR 385 Ca 0.00 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1wpg s THR 385 Cb -0.06 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1wpg s THR 385 CO 0.00 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1wpg n GLY 386 N -1.59 2.81 0.07 3.99 0.00 -1.26 -4.15 105.19 105.06 1wpg n GLY 386 Ca -0.04 -1.54 0.02 0.00 0.00 0.00 0.00 46.02 44.45 1wpg n GLY 386 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wpg n SER 387 N 0.00 2.14 -4.21 1.61 7.64 -1.26 -4.92 113.62 114.62 1wpg n SER 387 Ca 0.00 -2.13 -0.24 0.00 1.01 0.00 0.00 58.87 57.51 1wpg n SER 387 Cb 0.00 -0.07 -0.09 0.00 -1.01 0.00 0.00 64.21 63.04 1wpg n SER 387 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1wpg s THR 388 N -1.23 0.73 -0.53 0.44 -4.23 -1.26 -4.64 115.64 104.92 1wpg s THR 388 Ca 0.06 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.82 1wpg s THR 388 Cb 0.04 -2.48 0.27 0.00 1.34 0.00 0.00 72.50 71.67 1wpg s THR 388 CO 0.02 0.00 1.74 -1.22 -0.54 0.00 0.00 174.62 174.62 1wpg n TYR 389 N -0.82 0.90 -1.73 3.99 4.01 -1.26 -4.80 117.16 117.45 1wpg n TYR 389 Ca -0.05 0.32 -0.42 0.00 -0.16 0.00 0.00 57.90 57.60 1wpg n TYR 389 Cb 0.65 -1.02 -0.01 0.00 -0.31 0.00 0.00 39.34 38.66 1wpg n TYR 389 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wpg n ALA 390 N -1.79 1.73 -0.65 -0.72 0.00 -1.26 -4.76 120.51 113.06 1wpg n ALA 390 Ca 0.03 0.36 -0.06 0.00 0.00 0.00 0.00 53.44 53.77 1wpg n ALA 390 Cb 0.30 -2.32 -0.08 0.00 0.00 0.00 0.00 19.45 17.34 1wpg n ALA 390 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wpg n PRO 391 N 0.65 1.29 -4.15 0.00 -0.04 -1.26 -4.77 135.00 126.73 1wpg n PRO 391 Ca 0.04 -0.48 -0.34 0.00 -0.04 0.00 0.00 63.50 62.68 1wpg n PRO 391 Cb 0.37 -1.58 -0.15 0.00 -0.04 0.00 0.00 33.50 32.10 1wpg n PRO 391 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1wpg s GLU 392 N 0.98 3.21 0.00 0.54 2.02 -1.26 -4.67 118.70 119.52 1wpg s GLU 392 Ca 0.32 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1wpg s GLU 392 Cb 0.15 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.63 1wpg s GLU 392 CO 0.00 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.55 1wpg n GLY 393 N 4.53 2.47 3.41 -1.39 0.00 -1.26 -4.50 105.19 108.45 1wpg n GLY 393 Ca -0.19 -1.24 -0.21 0.00 0.00 0.00 0.00 46.02 44.38 1wpg n GLY 393 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wpg s GLU 394 N -2.02 1.50 -0.24 1.61 2.02 -1.26 -4.87 118.70 115.43 1wpg s GLU 394 Ca 0.00 -1.74 -0.08 0.00 0.02 0.00 0.00 54.97 53.17 1wpg s GLU 394 Cb 0.00 -1.14 -0.04 0.00 0.10 0.00 0.00 34.13 33.05 1wpg s GLU 394 CO 0.00 0.07 0.09 0.08 0.02 0.00 0.00 175.26 175.52 1wpg s VAL 395 N -3.01 4.62 0.25 2.63 1.01 -1.26 -1.64 120.40 122.99 1wpg s VAL 395 Ca 0.28 -0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.29 1wpg s VAL 395 Cb 0.03 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1wpg s VAL 395 CO 0.11 0.34 -0.07 -0.76 0.00 0.00 0.00 175.10 174.72 1wpg s LEU 396 N 1.39 3.00 -0.13 3.92 1.43 0.29 -2.61 118.68 125.98 1wpg s LEU 396 Ca 0.06 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.41 1wpg s LEU 396 Cb -0.15 -1.56 0.06 0.00 0.03 0.00 0.00 46.19 44.57 1wpg s LEU 396 CO 0.05 0.04 0.16 -0.75 0.23 0.00 0.00 176.35 176.07 1wpg s LYS 397 N -3.41 0.07 -1.15 1.70 2.20 -0.21 -1.05 119.74 117.89 1wpg s LYS 397 Ca 0.29 0.36 -0.07 0.00 -0.36 0.00 0.00 55.97 56.19 1wpg s LYS 397 Cb -0.07 -0.77 0.01 0.00 -1.51 0.00 0.00 37.83 35.49 1wpg s LYS 397 CO 0.18 -0.46 0.98 0.09 -0.36 0.00 0.00 175.35 175.78 1wpg n ASN 398 N 5.32 -5.69 -1.88 1.43 3.02 -1.26 -1.92 115.26 114.27 1wpg n ASN 398 Ca -0.05 -0.44 -0.21 0.00 -0.03 0.00 0.00 54.58 53.85 1wpg n ASN 398 Cb 0.50 -4.31 -0.06 0.00 -0.61 0.00 0.00 39.78 35.29 1wpg n ASN 398 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wpg n ASP 399 N -2.28 -5.61 -4.09 6.41 2.03 -1.26 -4.97 116.55 106.78 1wpg n ASP 399 Ca 0.00 0.33 -0.24 0.00 0.52 0.00 0.00 54.79 55.40 1wpg n ASP 399 Cb 0.55 -4.85 -0.16 0.00 -0.72 0.00 0.00 41.12 35.94 1wpg n ASP 399 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1wpg s LYS 400 N -4.21 1.51 0.49 -0.67 1.02 -0.81 -5.06 119.74 112.01 1wpg s LYS 400 Ca 0.00 -0.51 -0.23 0.00 0.02 0.00 0.00 55.97 55.26 1wpg s LYS 400 Cb 0.00 -1.34 -0.08 0.00 -0.52 0.00 0.00 37.83 35.89 1wpg s LYS 400 CO 0.00 0.20 1.07 -2.30 -0.92 0.00 0.00 175.35 173.40 1wpg n PRO 401 N 3.19 1.36 -4.05 -1.68 -0.02 -1.26 -1.04 135.00 131.49 1wpg n PRO 401 Ca -0.18 0.50 -0.10 0.00 -2.02 0.00 0.00 63.50 61.69 1wpg n PRO 401 Cb 0.53 -2.19 -0.07 0.00 -0.02 0.00 0.00 33.50 31.75 1wpg n PRO 401 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1wpg s ILE 402 N -1.34 0.03 -0.41 4.25 -5.25 -1.07 -4.83 121.20 112.58 1wpg s ILE 402 Ca 0.67 -1.60 -0.12 0.00 -0.99 0.00 0.00 60.65 58.61 1wpg s ILE 402 Cb -0.49 -2.16 0.05 0.00 2.95 0.00 0.00 42.46 42.81 1wpg s ILE 402 CO 0.54 -0.13 0.27 -0.13 -1.79 0.00 0.00 174.94 173.70 1wpg s ARG 403 N -4.04 2.82 0.26 0.37 0.52 -1.26 -4.73 118.95 112.89 1wpg s ARG 403 Ca 0.25 -1.21 -0.04 0.00 -0.52 0.00 0.00 55.73 54.22 1wpg s ARG 403 Cb 0.03 -3.86 0.53 0.00 0.52 0.00 0.00 34.95 32.18 1wpg s ARG 403 CO 0.06 -0.83 1.65 0.77 0.02 0.00 0.00 175.30 176.97 1wpg h SER 404 N 8.52 -0.17 -0.43 0.23 0.02 -1.90 0.18 113.55 120.00 1wpg h SER 404 Ca -0.26 0.19 0.13 0.00 -0.84 0.00 0.00 61.79 61.01 1wpg h SER 404 Cb 1.10 0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.92 1wpg h SER 404 CO 0.74 -0.15 0.52 1.23 -1.14 0.00 0.00 176.83 178.03 1wpg h GLY 405 N 0.17 0.00 2.00 -3.77 0.00 -1.80 -0.38 103.07 99.29 1wpg h GLY 405 Ca 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 1wpg h GLY 405 CO -0.64 0.00 -0.11 1.46 0.00 0.00 0.00 176.54 177.26 1wpg h GLN 406 N 0.00 0.00 -4.78 4.80 4.20 -0.93 -3.40 115.11 115.00 1wpg h GLN 406 Ca 0.21 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.24 1wpg h GLN 406 Cb 1.25 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.80 1wpg h GLN 406 CO -0.00 0.11 -0.56 -0.06 -0.67 0.00 0.00 178.83 177.64 1wpg s PHE 407 N -4.05 3.18 0.23 2.96 0.08 -0.15 -4.98 117.98 115.24 1wpg s PHE 407 Ca -0.02 -0.60 -0.07 0.00 0.12 0.00 0.00 56.93 56.37 1wpg s PHE 407 Cb 0.12 -2.35 0.33 0.00 -0.57 0.00 0.00 43.02 40.55 1wpg s PHE 407 CO 0.57 -0.46 1.79 -0.44 -0.10 0.00 0.00 175.22 176.57 1wpg h ASP 408 N 8.35 0.50 -0.83 1.36 5.19 -1.84 -1.20 116.42 127.95 1wpg h ASP 408 Ca -0.32 0.05 0.11 0.00 -0.62 0.00 0.00 57.03 56.26 1wpg h ASP 408 Cb 1.14 -0.03 -0.08 0.00 0.18 0.00 0.00 39.33 40.54 1wpg h ASP 408 CO 0.61 0.29 0.45 1.23 -3.12 0.00 0.00 179.24 178.71 1wpg h GLY 409 N 0.64 1.30 2.00 2.75 0.00 -1.94 0.78 103.07 108.60 1wpg h GLY 409 Ca 0.35 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 1wpg h GLY 409 CO -0.25 0.07 -0.26 1.41 0.00 0.00 0.00 176.54 177.51 1wpg h LEU 410 N 0.73 0.00 -0.62 3.11 3.38 -1.51 -0.39 115.31 120.01 1wpg h LEU 410 Ca 0.42 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.34 1wpg h LEU 410 Cb 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1wpg h LEU 410 CO -0.28 0.26 0.20 0.58 0.09 0.00 0.00 178.44 179.28 1wpg h VAL 411 N 0.00 1.24 -0.16 1.22 2.07 -0.44 0.62 116.25 120.81 1wpg h VAL 411 Ca -0.00 -0.83 -0.22 0.00 0.82 0.00 0.00 66.70 66.47 1wpg h VAL 411 Cb 0.48 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1wpg h VAL 411 CO 0.03 0.32 -0.76 -0.08 0.02 0.00 0.00 177.57 177.10 1wpg h GLU 412 N 0.89 0.76 -0.06 1.57 4.81 -1.04 -1.90 114.58 119.61 1wpg h GLU 412 Ca 0.20 -0.61 0.04 0.00 -0.13 0.00 0.00 59.36 58.85 1wpg h GLU 412 Cb 0.28 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1wpg h GLU 412 CO -0.01 1.22 -0.20 1.25 -0.73 0.00 0.00 179.01 180.55 1wpg h LEU 413 N 0.53 -0.60 -1.10 1.64 7.12 -0.80 0.13 115.31 122.23 1wpg h LEU 413 Ca -0.05 0.09 -0.00 0.00 0.13 0.00 0.00 57.88 58.05 1wpg h LEU 413 Cb 1.38 0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 41.73 1wpg h LEU 413 CO 0.16 -0.26 0.51 0.00 -0.13 0.00 0.00 178.44 178.72 1wpg h ALA 414 N 0.66 1.33 -0.75 1.25 0.00 -0.85 -0.91 119.26 119.98 1wpg h ALA 414 Ca 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1wpg h ALA 414 Cb 0.40 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1wpg h ALA 414 CO -0.23 0.59 0.32 1.15 0.00 0.00 0.00 179.25 181.07 1wpg h THR 415 N 1.15 1.25 -0.14 0.00 2.02 -0.46 0.18 112.91 116.92 1wpg h THR 415 Ca 0.30 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1wpg h THR 415 Cb -0.06 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1wpg h THR 415 CO -0.06 0.32 -0.04 0.40 0.37 0.00 0.00 175.52 176.50 1wpg h ILE 416 N 1.08 1.30 -0.19 3.11 2.04 -0.28 -1.38 117.51 123.19 1wpg h ILE 416 Ca 0.25 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1wpg h ILE 416 Cb 0.19 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1wpg h ILE 416 CO -0.02 0.30 0.05 0.00 0.00 0.00 0.00 178.15 178.47 1wpg h ALA 418 N 1.79 0.01 0.07 0.00 0.00 -0.51 -3.40 119.26 117.22 1wpg h ALA 418 Ca 0.07 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 1wpg h ALA 418 Cb 0.11 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wpg h ALA 418 CO -0.00 0.26 -0.60 -0.07 0.00 0.00 0.00 179.25 178.84 1wpg h LEU 419 N -0.35 0.40 -5.94 0.00 3.38 -1.07 -3.36 115.31 108.37 1wpg h LEU 419 Ca -0.08 -0.89 -0.72 0.00 0.09 0.00 0.00 57.88 56.28 1wpg h LEU 419 Cb 1.30 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.84 1wpg h LEU 419 CO 0.10 1.25 2.79 0.00 0.09 0.00 0.00 178.44 182.67 1wpg s ASN 421 N 1.88 -0.45 0.00 0.00 3.84 -1.26 -4.82 114.94 114.14 1wpg s ASN 421 Ca 0.49 0.73 0.04 0.00 0.21 0.00 0.00 52.86 54.33 1wpg s ASN 421 Cb 0.14 0.77 0.06 0.00 -0.55 0.00 0.00 41.25 41.67 1wpg s ASN 421 CO -0.05 -0.28 0.81 0.47 -2.79 0.00 0.00 177.10 175.26 1wpg n ASP 422 N 2.25 1.72 -4.48 -4.21 10.43 -1.26 -5.04 116.55 115.96 1wpg n ASP 422 Ca -0.16 -1.50 -0.23 0.00 2.57 0.00 0.00 54.79 55.46 1wpg n ASP 422 Cb 0.57 -0.03 -0.00 0.00 1.84 0.00 0.00 41.12 43.49 1wpg n ASP 422 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1wpg n SER 423 N 0.06 2.60 -3.17 -2.24 7.64 -1.26 -4.88 113.62 112.37 1wpg n SER 423 Ca 0.03 -2.69 -0.08 0.00 1.01 0.00 0.00 58.87 57.14 1wpg n SER 423 Cb 0.18 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.39 1wpg n SER 423 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wpg s SER 424 N -3.81 -0.05 0.08 6.43 1.04 -0.24 -4.96 113.70 112.20 1wpg s SER 424 Ca 0.25 -0.97 0.06 0.00 0.48 0.00 0.00 55.95 55.77 1wpg s SER 424 Cb -0.02 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 1wpg s SER 424 CO 0.16 -1.53 -0.07 -0.22 0.98 0.00 0.00 173.24 172.56 1wpg s LEU 425 N -3.07 3.15 -0.08 2.42 2.96 -1.26 -1.38 118.68 121.42 1wpg s LEU 425 Ca 0.15 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 1wpg s LEU 425 Cb -0.05 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.76 1wpg s LEU 425 CO 0.10 0.19 0.20 -0.62 -1.32 0.00 0.00 176.35 174.90 1wpg s ASP 426 N -2.10 -0.21 -0.25 3.68 2.15 -0.81 -4.70 116.67 114.43 1wpg s ASP 426 Ca 0.22 0.42 -0.17 0.00 0.43 0.00 0.00 52.55 53.45 1wpg s ASP 426 Cb -0.11 0.37 -0.03 0.00 -0.30 0.00 0.00 42.92 42.84 1wpg s ASP 426 CO 0.14 -0.11 0.46 0.12 -0.17 0.00 0.00 175.17 175.61 1wpg s PHE 427 N 0.62 3.29 -0.99 -5.34 5.36 -1.26 -0.29 117.98 119.37 1wpg s PHE 427 Ca -0.04 0.58 -0.19 0.00 -0.96 0.00 0.00 56.93 56.32 1wpg s PHE 427 Cb -0.06 -2.65 0.12 0.00 -0.34 0.00 0.00 43.02 40.09 1wpg s PHE 427 CO -0.03 -0.21 1.25 1.21 -1.46 0.00 0.00 175.22 175.97 1wpg s ASN 428 N 1.46 6.66 0.46 6.13 3.84 -0.34 -4.86 114.94 128.29 1wpg s ASN 428 Ca 0.19 -2.03 0.21 0.00 0.21 0.00 0.00 52.86 51.44 1wpg s ASN 428 Cb -0.16 -2.44 1.20 0.00 -0.55 0.00 0.00 41.25 39.31 1wpg s ASN 428 CO 0.09 -1.13 1.89 -0.33 -2.79 0.00 0.00 177.10 174.83 1wpg h GLU 429 N 8.82 0.27 0.02 0.43 5.08 -1.95 0.38 114.58 127.63 1wpg h GLU 429 Ca 0.19 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1wpg h GLU 429 Cb 1.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1wpg h GLU 429 CO 1.20 0.18 -0.01 1.15 -1.00 0.00 0.00 179.01 180.53 1wpg h THR 430 N 0.27 1.07 -0.00 1.13 2.02 -1.95 -3.03 112.91 112.42 1wpg h THR 430 Ca 0.42 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1wpg h THR 430 Cb 1.23 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1wpg h THR 430 CO -0.11 0.07 -0.37 0.29 0.37 0.00 0.00 175.52 175.77 1wpg n LYS 431 N -5.04 0.31 -2.18 6.66 5.02 -0.72 -4.96 118.16 117.25 1wpg n LYS 431 Ca -0.08 -0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 55.91 1wpg n LYS 431 Cb 0.10 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.60 1wpg n LYS 431 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wpg n GLY 432 N 1.43 -0.04 3.13 0.72 0.00 0.13 -5.02 105.19 105.54 1wpg n GLY 432 Ca 0.08 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 1wpg n GLY 432 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wpg s VAL 433 N -2.65 0.16 0.13 1.61 -7.23 -1.15 -5.00 120.40 106.27 1wpg s VAL 433 Ca 0.00 -1.33 -0.30 0.00 -1.81 0.00 0.00 61.98 58.54 1wpg s VAL 433 Cb 0.00 -1.19 -0.06 0.00 0.56 0.00 0.00 36.38 35.69 1wpg s VAL 433 CO 0.00 -0.73 0.97 -0.31 -0.31 0.00 0.00 175.10 174.71 1wpg s TYR 434 N -3.32 3.82 0.25 2.82 1.51 -1.26 -1.19 117.35 119.97 1wpg s TYR 434 Ca 0.01 1.80 0.09 0.00 -1.01 0.00 0.00 57.07 57.96 1wpg s TYR 434 Cb 0.03 -3.06 -0.05 0.00 -0.11 0.00 0.00 41.96 38.77 1wpg s TYR 434 CO -0.08 0.19 -0.13 -1.21 -1.11 0.00 0.00 175.55 173.21 1wpg s GLU 435 N -0.17 1.49 0.36 -0.62 2.02 0.60 -4.68 118.70 117.70 1wpg s GLU 435 Ca 0.46 -1.70 -0.08 0.00 0.02 0.00 0.00 54.97 53.67 1wpg s GLU 435 Cb -0.24 -1.32 -0.06 0.00 0.10 0.00 0.00 34.13 32.61 1wpg s GLU 435 CO 0.30 0.18 0.68 -1.59 0.02 0.00 0.00 175.26 174.85 1wpg s LYS 436 N -3.63 3.71 -0.29 1.61 -2.85 -1.26 -1.93 119.74 115.10 1wpg s LYS 436 Ca 0.26 0.27 -0.01 0.00 -1.00 0.00 0.00 55.97 55.49 1wpg s LYS 436 Cb -0.01 -2.50 0.09 0.00 -2.06 0.00 0.00 37.83 33.36 1wpg s LYS 436 CO 0.11 0.07 0.08 0.08 0.10 0.00 0.00 175.35 175.79 1wpg s VAL 437 N -2.25 0.81 0.00 1.79 1.01 -0.48 -4.86 120.40 116.43 1wpg s VAL 437 Ca 0.48 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1wpg s VAL 437 Cb -0.10 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1wpg s VAL 437 CO 0.31 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1wpg n GLY 438 N 4.89 -0.24 3.78 4.51 0.00 -1.26 -1.07 105.19 115.79 1wpg n GLY 438 Ca -0.04 -2.03 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 1wpg n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wpg s GLU 439 N 0.00 4.47 0.17 1.61 2.02 -1.26 -4.93 118.70 120.77 1wpg s GLU 439 Ca 0.00 1.46 -0.15 0.00 0.02 0.00 0.00 54.97 56.30 1wpg s GLU 439 Cb 0.00 -2.79 0.10 0.00 0.10 0.00 0.00 34.13 31.54 1wpg s GLU 439 CO 0.00 0.14 1.77 0.00 0.02 0.00 0.00 175.26 177.19 1wpg h ALA 440 N 3.07 0.54 0.00 5.21 0.00 -1.96 0.45 119.26 126.58 1wpg h ALA 440 Ca -0.47 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1wpg h ALA 440 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1wpg h ALA 440 CO 0.64 -0.17 0.00 1.79 0.00 0.00 0.00 179.25 181.51 1wpg h THR 441 N 0.40 0.00 0.05 0.00 1.35 -1.93 -2.03 112.91 110.75 1wpg h THR 441 Ca 0.19 -0.28 -0.34 0.00 -0.55 0.00 0.00 66.41 65.43 1wpg h THR 441 Cb 0.13 1.06 -0.04 0.00 -1.73 0.00 0.00 68.15 67.57 1wpg h THR 441 CO -0.16 0.00 -2.01 -0.62 -0.25 0.00 0.00 175.52 172.49 1wpg n GLU 442 N -2.42 0.69 0.20 4.72 1.02 -0.72 -4.02 120.64 120.11 1wpg n GLU 442 Ca 0.02 0.23 0.04 0.00 -0.02 0.00 0.00 57.16 57.43 1wpg n GLU 442 Cb 0.24 -1.69 0.41 0.00 -0.02 0.00 0.00 31.44 30.38 1wpg n GLU 442 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1wpg h THR 443 N 0.03 1.11 -0.52 2.62 2.02 -0.71 -1.76 112.91 115.70 1wpg h THR 443 Ca -0.41 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 65.58 1wpg h THR 443 Cb 2.04 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 70.08 1wpg h THR 443 CO 0.06 0.32 0.28 0.00 0.37 0.00 0.00 175.52 176.54 1wpg h ALA 444 N 1.67 1.51 -0.25 6.16 0.00 -1.51 0.22 119.26 127.07 1wpg h ALA 444 Ca -0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1wpg h ALA 444 Cb 0.63 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wpg h ALA 444 CO 0.04 0.40 -0.37 -0.07 0.00 0.00 0.00 179.25 179.26 1wpg h LEU 445 N 0.72 0.75 0.03 0.00 3.38 -1.48 -0.49 115.31 118.22 1wpg h LEU 445 Ca 0.18 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.66 1wpg h LEU 445 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1wpg h LEU 445 CO -0.03 1.12 -0.13 0.74 0.09 0.00 0.00 178.44 180.23 1wpg h THR 446 N 0.40 0.68 -0.97 0.22 2.02 -0.79 -0.59 112.91 113.89 1wpg h THR 446 Ca 0.02 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.25 1wpg h THR 446 Cb 0.96 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.99 1wpg h THR 446 CO 0.09 0.00 0.63 0.74 0.37 0.00 0.00 175.52 177.35 1wpg h THR 447 N -0.23 1.13 -0.06 3.16 2.02 -0.60 -1.97 112.91 116.35 1wpg h THR 447 Ca 0.04 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 66.83 1wpg h THR 447 Cb 0.28 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 1wpg h THR 447 CO -0.11 0.22 -0.02 0.25 0.37 0.00 0.00 175.52 176.23 1wpg h LEU 448 N 1.18 -0.07 -1.26 2.58 5.85 -0.31 -2.29 115.31 120.98 1wpg h LEU 448 Ca 0.40 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.23 1wpg h LEU 448 Cb 0.07 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1wpg h LEU 448 CO -0.14 -0.03 0.55 0.58 -0.34 0.00 0.00 178.44 179.07 1wpg h VAL 449 N -0.01 0.97 -0.41 1.05 2.07 -0.39 -1.05 116.25 118.48 1wpg h VAL 449 Ca 0.03 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 1wpg h VAL 449 Cb 0.06 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 1wpg h VAL 449 CO -0.07 0.15 -0.10 -0.33 0.02 0.00 0.00 177.57 177.24 1wpg h GLU 450 N 0.82 0.72 -0.15 1.57 4.39 -1.00 -1.83 114.58 119.10 1wpg h GLU 450 Ca 0.39 -0.23 -0.14 0.00 0.34 0.00 0.00 59.36 59.72 1wpg h GLU 450 Cb 0.41 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1wpg h GLU 450 CO -0.16 0.80 -0.46 0.87 -1.16 0.00 0.00 179.01 178.91 1wpg h LYS 451 N 0.65 0.58 -0.76 2.33 1.57 -0.74 -3.28 116.57 116.92 1wpg h LYS 451 Ca 0.11 -0.42 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 1wpg h LYS 451 Cb 0.56 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1wpg h LYS 451 CO 0.03 1.04 0.27 0.52 -0.57 0.00 0.00 179.45 180.74 1wpg h MET 452 N 0.22 1.15 -6.99 3.15 2.86 -1.14 -3.45 114.93 110.73 1wpg h MET 452 Ca -0.01 -0.22 -0.56 0.00 -2.06 0.00 0.00 59.70 56.84 1wpg h MET 452 Cb 1.08 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 32.50 1wpg h MET 452 CO 0.10 0.95 -0.93 -1.71 1.06 0.00 0.00 176.91 176.38 1wpg n ASN 453 N -4.27 -2.62 0.20 1.22 2.85 -0.70 -4.39 115.26 107.57 1wpg n ASN 453 Ca 0.07 -1.20 0.18 0.00 -0.11 0.00 0.00 54.58 53.51 1wpg n ASN 453 Cb 0.21 -1.45 0.81 0.00 1.24 0.00 0.00 39.78 40.58 1wpg n ASN 453 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1wpg h VAL 454 N -2.06 0.26 -0.66 3.44 -1.51 -1.91 -0.32 116.25 113.49 1wpg h VAL 454 Ca -0.65 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1wpg h VAL 454 Cb 1.29 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1wpg h VAL 454 CO 0.52 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 177.35 1wpg n PHE 455 N -3.45 1.20 -4.07 5.19 3.72 -1.26 -3.62 117.46 115.17 1wpg n PHE 455 Ca 0.03 -0.56 -0.31 0.00 -0.05 0.00 0.00 57.45 56.56 1wpg n PHE 455 Cb 0.46 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.86 1wpg n PHE 455 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1wpg n ASN 456 N 1.29 -2.29 -4.74 4.37 3.02 -0.13 -4.90 115.26 111.87 1wpg n ASN 456 Ca 0.24 -0.98 -0.41 0.00 -0.03 0.00 0.00 54.58 53.41 1wpg n ASN 456 Cb 0.75 -3.04 -0.03 0.00 -0.61 0.00 0.00 39.78 36.85 1wpg n ASN 456 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wpg s THR 457 N -3.56 3.31 -0.02 3.41 2.01 -1.26 -4.95 115.64 114.58 1wpg s THR 457 Ca 0.43 1.13 -0.30 0.00 0.31 0.00 0.00 61.69 63.26 1wpg s THR 457 Cb -0.23 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 1wpg s THR 457 CO 0.90 0.19 1.62 -0.70 -0.69 0.00 0.00 174.62 175.94 1wpg s GLU 458 N -0.46 4.20 0.00 4.92 2.56 -1.26 -4.84 118.70 123.82 1wpg s GLU 458 Ca 0.53 2.19 0.00 0.00 0.00 0.00 0.00 54.97 57.70 1wpg s GLU 458 Cb -0.35 -3.86 0.00 0.00 2.00 0.00 0.00 34.13 31.92 1wpg s GLU 458 CO 0.39 -0.79 0.45 1.33 -0.56 0.00 0.00 175.26 176.09 1wpg n VAL 459 N 5.22 0.18 0.05 3.70 0.24 -1.26 -4.80 118.33 121.66 1wpg n VAL 459 Ca 0.16 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 1wpg n VAL 459 Cb 0.42 1.19 -0.08 0.00 -1.47 0.00 0.00 33.84 33.90 1wpg n VAL 459 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1wpg h ARG 460 N 0.00 -0.10 -0.62 7.34 3.08 -2.01 -3.24 114.38 118.83 1wpg h ARG 460 Ca 0.00 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1wpg h ARG 460 Cb 0.36 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1wpg h ARG 460 CO 0.00 0.16 0.09 -0.91 -1.07 0.00 0.00 179.97 178.25 1wpg h ASN 461 N -0.36 0.99 -2.74 7.04 2.35 -2.01 -3.45 115.58 117.40 1wpg h ASN 461 Ca -0.01 -0.26 -0.55 0.00 -0.55 0.00 0.00 56.30 54.93 1wpg h ASN 461 Cb 0.31 -0.26 0.22 0.00 0.05 0.00 0.00 38.32 38.63 1wpg h ASN 461 CO 0.02 1.00 -1.05 0.18 -1.65 0.00 0.00 177.43 175.93 1wpg n LEU 462 N -4.27 -2.40 -5.01 1.61 4.77 -1.23 -5.01 117.00 105.46 1wpg n LEU 462 Ca 0.03 0.36 -0.22 0.00 -0.03 0.00 0.00 56.01 56.15 1wpg n LEU 462 Cb 0.29 -1.02 0.09 0.00 -2.33 0.00 0.00 43.42 40.45 1wpg n LEU 462 CO 0.42 -4.50 0.46 -0.94 -1.33 0.00 0.00 177.39 171.51 1wpg s SER 463 N -1.45 4.66 0.10 -1.43 1.04 -1.26 -4.85 113.70 110.51 1wpg s SER 463 Ca 0.53 -0.58 -0.30 0.00 0.48 0.00 0.00 55.95 56.08 1wpg s SER 463 Cb -0.25 0.12 -0.12 0.00 0.10 0.00 0.00 66.02 65.87 1wpg s SER 463 CO 0.71 -1.64 1.62 0.11 0.98 0.00 0.00 173.24 175.02 1wpg h LYS 464 N -0.22 -0.64 -0.75 4.02 1.79 -1.98 0.32 116.57 119.11 1wpg h LYS 464 Ca -0.33 0.04 0.10 0.00 -2.18 0.00 0.00 60.65 58.28 1wpg h LYS 464 Cb 1.28 0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 32.02 1wpg h LYS 464 CO 0.40 -0.43 0.49 -0.39 -1.08 0.00 0.00 179.45 178.45 1wpg h VAL 465 N -0.66 0.93 0.11 0.50 -1.51 -1.96 -2.19 116.25 111.47 1wpg h VAL 465 Ca -0.01 -0.22 -0.28 0.00 -1.23 0.00 0.00 66.70 64.96 1wpg h VAL 465 Cb 0.62 0.23 -0.00 0.00 -2.13 0.00 0.00 31.29 30.01 1wpg h VAL 465 CO -0.10 0.12 -1.32 -0.33 -1.23 0.00 0.00 177.57 174.71 1wpg h GLU 466 N 0.64 0.23 -0.40 5.19 5.08 -1.84 -3.32 114.58 120.16 1wpg h GLU 466 Ca 0.35 -0.40 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1wpg h GLU 466 Cb 0.49 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1wpg h GLU 466 CO -0.13 1.15 0.05 -0.09 -1.00 0.00 0.00 179.01 178.99 1wpg h ARG 467 N 0.06 0.62 -1.15 2.33 9.65 0.21 -3.04 114.38 123.06 1wpg h ARG 467 Ca -0.16 -0.13 0.40 0.00 -1.10 0.00 0.00 59.98 59.00 1wpg h ARG 467 Cb 1.97 -0.09 -0.15 0.00 -1.39 0.00 0.00 29.97 30.31 1wpg h ARG 467 CO 0.18 0.60 0.70 0.00 2.80 0.00 0.00 179.97 184.25 1wpg h ALA 468 N 1.46 2.39 0.00 2.80 0.00 -1.52 -2.61 119.26 121.79 1wpg h ALA 468 Ca 0.13 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1wpg h ALA 468 Cb 0.31 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1wpg h ALA 468 CO 0.01 -1.06 -0.41 0.09 0.00 0.00 0.00 179.25 177.88 1wpg n ASN 469 N -4.94 0.60 -0.00 0.00 3.02 -1.22 -4.54 115.26 108.18 1wpg n ASN 469 Ca 0.36 -2.27 -0.09 0.00 -0.03 0.00 0.00 54.58 52.54 1wpg n ASN 469 Cb 1.28 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 40.16 1wpg n ASN 469 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wpg h ALA 470 N 0.05 -0.18 -0.07 5.41 0.00 -1.34 -0.51 119.26 122.62 1wpg h ALA 470 Ca -0.01 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1wpg h ALA 470 Cb 1.32 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1wpg h ALA 470 CO 0.00 -0.68 -0.67 0.00 0.00 0.00 0.00 179.25 177.90 1wpg h ASN 472 N 0.21 0.88 0.48 0.00 2.35 -1.83 -2.55 115.58 115.12 1wpg h ASN 472 Ca -0.02 -0.29 -0.06 0.00 -0.55 0.00 0.00 56.30 55.39 1wpg h ASN 472 Cb 1.22 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 1wpg h ASN 472 CO 0.11 1.02 -0.27 0.28 -1.65 0.00 0.00 177.43 176.91 1wpg h SER 473 N 0.78 0.00 -0.33 5.81 0.02 -1.03 -2.20 113.55 116.60 1wpg h SER 473 Ca 0.12 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1wpg h SER 473 Cb 0.66 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1wpg h SER 473 CO 0.05 0.27 0.02 0.58 -1.14 0.00 0.00 176.83 176.61 1wpg h VAL 474 N 0.00 1.25 -0.47 2.27 2.07 -1.15 -2.48 116.25 117.75 1wpg h VAL 474 Ca -0.00 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.52 1wpg h VAL 474 Cb 0.59 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1wpg h VAL 474 CO 0.04 0.30 -0.06 0.40 0.02 0.00 0.00 177.57 178.27 1wpg h ILE 475 N 0.39 1.25 0.00 4.57 2.04 -1.36 -2.15 117.51 122.25 1wpg h ILE 475 Ca 0.10 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1wpg h ILE 475 Cb 0.41 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1wpg h ILE 475 CO 0.01 0.39 0.00 0.03 0.00 0.00 0.00 178.15 178.58 1wpg h ARG 476 N 0.74 0.00 0.00 2.37 3.08 -1.23 -0.40 114.38 118.94 1wpg h ARG 476 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1wpg h ARG 476 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1wpg h ARG 476 CO 0.03 0.00 -0.24 1.96 -1.07 0.00 0.00 179.97 180.65 1wpg h GLN 477 N 0.00 0.00 0.07 0.04 4.20 -0.92 -3.35 115.11 115.14 1wpg h GLN 477 Ca 0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 1wpg h GLN 477 Cb 0.33 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 1wpg h GLN 477 CO 0.00 0.00 -2.12 1.28 -0.67 0.00 0.00 178.83 177.32 1wpg n LEU 478 N -2.86 2.64 -4.05 1.46 4.77 -0.33 -4.59 117.00 114.04 1wpg n LEU 478 Ca 0.03 0.12 -0.26 0.00 -0.03 0.00 0.00 56.01 55.88 1wpg n LEU 478 Cb 0.52 -1.02 -0.17 0.00 -2.33 0.00 0.00 43.42 40.42 1wpg n LEU 478 CO 0.35 0.81 -0.48 -0.04 -1.33 0.00 0.00 177.39 176.70 1wpg s MET 479 N -2.53 1.95 -0.14 3.23 -1.94 -0.31 -0.64 119.30 118.92 1wpg s MET 479 Ca -0.28 -0.49 -0.10 0.00 -1.71 0.00 0.00 55.69 53.11 1wpg s MET 479 Cb 0.08 -1.59 -0.05 0.00 2.01 0.00 0.00 34.83 35.28 1wpg s MET 479 CO 0.68 0.04 0.18 0.21 -0.01 0.00 0.00 175.02 176.12 1wpg s LYS 480 N 0.66 3.86 -0.21 2.03 2.20 -0.25 -4.36 119.74 123.66 1wpg s LYS 480 Ca -0.14 -0.09 -0.22 0.00 -0.36 0.00 0.00 55.97 55.16 1wpg s LYS 480 Cb -0.16 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1wpg s LYS 480 CO 0.04 0.53 0.71 0.21 -0.36 0.00 0.00 175.35 176.48 1wpg s LYS 481 N -0.34 4.20 -0.13 4.03 2.20 -1.26 -2.10 119.74 126.34 1wpg s LYS 481 Ca 0.13 0.75 -0.06 0.00 -0.36 0.00 0.00 55.97 56.43 1wpg s LYS 481 Cb -0.12 -3.61 -0.26 0.00 -1.51 0.00 0.00 37.83 32.34 1wpg s LYS 481 CO 0.03 -0.35 0.33 0.39 -0.36 0.00 0.00 175.35 175.39 1wpg n GLU 482 N 5.42 0.75 -3.55 4.03 1.02 -0.24 -5.00 120.64 123.08 1wpg n GLU 482 Ca 0.01 0.26 -0.10 0.00 -0.02 0.00 0.00 57.16 57.31 1wpg n GLU 482 Cb 0.49 -1.70 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 1wpg n GLU 482 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1wpg s PHE 483 N -2.56 -0.42 -0.05 -0.32 -0.71 -1.23 -5.04 117.98 107.66 1wpg s PHE 483 Ca -0.23 0.15 0.04 0.00 -1.04 0.00 0.00 56.93 55.85 1wpg s PHE 483 Cb 0.07 0.60 -0.02 0.00 -1.21 0.00 0.00 43.02 42.45 1wpg s PHE 483 CO 0.76 -0.92 -0.16 0.99 -1.34 0.00 0.00 175.22 174.55 1wpg s THR 484 N -3.71 2.91 -0.71 -4.49 2.01 -1.26 -1.52 115.64 108.87 1wpg s THR 484 Ca 0.04 -0.78 -0.14 0.00 0.31 0.00 0.00 61.69 61.13 1wpg s THR 484 Cb -0.02 -2.13 0.18 0.00 0.01 0.00 0.00 72.50 70.54 1wpg s THR 484 CO -0.07 0.59 0.64 -0.76 -0.69 0.00 0.00 174.62 174.33 1wpg s LEU 485 N -0.66 6.45 0.60 4.42 1.43 0.46 -5.01 118.68 126.37 1wpg s LEU 485 Ca 0.10 -2.37 -0.18 0.00 -1.03 0.00 0.00 54.13 50.65 1wpg s LEU 485 Cb -0.11 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 1wpg s LEU 485 CO 0.01 -0.66 0.87 -1.84 0.23 0.00 0.00 176.35 174.96 1wpg n GLU 486 N 4.40 0.79 -1.71 1.70 0.28 -1.26 -2.51 120.64 122.33 1wpg n GLU 486 Ca 0.04 0.31 -0.39 0.00 -0.16 0.00 0.00 57.16 56.96 1wpg n GLU 486 Cb 0.44 -2.07 0.04 0.00 1.43 0.00 0.00 31.44 31.28 1wpg n GLU 486 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1wpg n PHE 487 N -1.77 2.01 -3.86 -1.84 -0.00 -1.26 -4.87 117.46 105.88 1wpg n PHE 487 Ca 0.14 0.45 -0.12 0.00 -0.00 0.00 0.00 57.45 57.91 1wpg n PHE 487 Cb 0.48 -2.33 -0.13 0.00 -0.00 0.00 0.00 39.48 37.50 1wpg n PHE 487 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1wpg s SER 488 N -0.90 -0.05 0.30 -2.13 1.04 -1.25 -4.68 113.70 106.03 1wpg s SER 488 Ca 0.70 0.08 0.03 0.00 0.48 0.00 0.00 55.95 57.24 1wpg s SER 488 Cb -0.44 0.18 0.61 0.00 0.10 0.00 0.00 66.02 66.48 1wpg s SER 488 CO 0.50 -0.10 1.85 0.03 0.98 0.00 0.00 173.24 176.50 1wpg h ARG 489 N 5.67 0.91 0.00 4.02 3.08 -1.95 0.85 114.38 126.96 1wpg h ARG 489 Ca -0.26 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 1wpg h ARG 489 Cb 1.20 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 1wpg h ARG 489 CO 0.44 0.60 -0.08 0.38 -1.07 0.00 0.00 179.97 180.24 1wpg h ASP 490 N 0.93 0.00 0.00 7.04 3.04 -1.98 -3.25 116.42 122.20 1wpg h ASP 490 Ca 0.48 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 54.13 1wpg h ASP 490 Cb 0.52 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.78 1wpg h ASP 490 CO -0.25 0.08 -1.58 -1.14 -2.04 0.00 0.00 179.24 174.31 1wpg n ARG 491 N -3.60 2.22 -3.65 4.15 0.63 -0.81 -5.04 116.66 110.56 1wpg n ARG 491 Ca -0.02 -0.02 -0.24 0.00 -0.92 0.00 0.00 57.85 56.66 1wpg n ARG 491 Cb 0.20 -1.23 0.06 0.00 0.45 0.00 0.00 32.46 31.94 1wpg n ARG 491 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1wpg n LYS 492 N -2.25 -6.67 -3.76 -0.14 5.02 0.23 -4.87 118.16 105.71 1wpg n LYS 492 Ca -0.13 0.75 -0.06 0.00 -2.02 0.00 0.00 58.31 56.86 1wpg n LYS 492 Cb 0.71 -5.69 -0.02 0.00 -0.02 0.00 0.00 35.03 30.02 1wpg n LYS 492 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1wpg s SER 493 N -3.70 -0.25 0.10 4.39 1.04 -1.26 -1.56 113.70 112.46 1wpg s SER 493 Ca 0.39 -0.44 -0.11 0.00 0.48 0.00 0.00 55.95 56.28 1wpg s SER 493 Cb -0.18 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.53 1wpg s SER 493 CO 0.77 -1.07 0.25 0.00 0.98 0.00 0.00 173.24 174.16 1wpg s MET 494 N -3.56 0.91 0.13 4.02 0.23 -0.51 -3.83 119.30 116.68 1wpg s MET 494 Ca 0.11 -0.88 -0.13 0.00 -1.03 0.00 0.00 55.69 53.76 1wpg s MET 494 Cb -0.03 0.38 0.02 0.00 -1.53 0.00 0.00 34.83 33.66 1wpg s MET 494 CO 0.03 -0.31 0.33 -1.54 -2.03 0.00 0.00 175.02 171.49 1wpg s SER 495 N -2.84 -0.08 -0.01 -1.18 1.04 -1.04 -1.67 113.70 107.92 1wpg s SER 495 Ca 0.04 -0.54 0.05 0.00 0.48 0.00 0.00 55.95 55.98 1wpg s SER 495 Cb 0.04 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 1wpg s SER 495 CO -0.11 -0.84 -0.16 0.68 0.98 0.00 0.00 173.24 173.79 1wpg s VAL 496 N -3.86 1.23 -0.22 5.02 -7.23 -0.24 -0.40 120.40 114.71 1wpg s VAL 496 Ca 0.07 -0.67 -0.13 0.00 -1.81 0.00 0.00 61.98 59.44 1wpg s VAL 496 Cb 0.03 -1.03 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 1wpg s VAL 496 CO -0.09 0.35 0.26 -0.47 -0.31 0.00 0.00 175.10 174.84 1wpg s TYR 497 N -0.36 3.35 0.14 2.82 6.14 -0.57 -0.98 117.35 127.89 1wpg s TYR 497 Ca 0.06 0.41 0.04 0.00 0.64 0.00 0.00 57.07 58.22 1wpg s TYR 497 Cb -0.06 -2.36 -0.04 0.00 0.42 0.00 0.00 41.96 39.91 1wpg s TYR 497 CO -0.01 0.06 -0.10 0.00 0.64 0.00 0.00 175.55 176.15 1wpg s SER 499 N -3.10 0.09 0.44 0.00 1.04 -0.89 0.04 113.70 111.32 1wpg s SER 499 Ca 0.15 -0.42 -0.25 0.00 0.48 0.00 0.00 55.95 55.91 1wpg s SER 499 Cb 0.02 0.26 -0.09 0.00 0.10 0.00 0.00 66.02 66.31 1wpg s SER 499 CO -0.00 -0.53 1.29 -0.81 0.98 0.00 0.00 173.24 174.17 1wpg n PRO 500 N 0.76 1.93 -0.01 4.02 -0.04 -1.26 -1.09 135.00 139.31 1wpg n PRO 500 Ca -0.19 0.69 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 1wpg n PRO 500 Cb 0.59 -2.42 0.10 0.00 -0.04 0.00 0.00 33.50 31.73 1wpg n PRO 500 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wpg n ALA 501 N -0.29 2.46 -3.02 0.55 0.00 0.19 -4.70 120.51 115.69 1wpg n ALA 501 Ca 0.07 -0.70 -0.12 0.00 0.00 0.00 0.00 53.44 52.68 1wpg n ALA 501 Cb 0.40 -0.80 -0.13 0.00 0.00 0.00 0.00 19.45 18.92 1wpg n ALA 501 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wpg s LYS 502 N -1.94 0.11 0.56 0.00 -0.14 -1.26 -4.97 119.74 112.11 1wpg s LYS 502 Ca 0.28 0.15 0.37 0.00 -1.36 0.00 0.00 55.97 55.41 1wpg s LYS 502 Cb 0.20 0.04 1.94 0.00 -1.68 0.00 0.00 37.83 38.33 1wpg s LYS 502 CO 0.29 -0.02 2.13 0.66 -0.76 0.00 0.00 175.35 177.66 1wpg h SER 503 N 6.06 0.00 0.49 2.83 4.64 -1.97 -1.41 113.55 124.20 1wpg h SER 503 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1wpg h SER 503 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1wpg h SER 503 CO 0.45 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.18 1wpg h SER 504 N 0.00 0.00 -0.11 4.97 4.64 -1.99 -1.67 113.55 119.39 1wpg h SER 504 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wpg h SER 504 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1wpg h SER 504 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1wpg n ARG 505 N -2.63 2.20 -0.30 4.77 5.12 -0.53 -4.74 116.66 120.55 1wpg n ARG 505 Ca -0.00 -2.42 0.31 0.00 -1.93 0.00 0.00 57.85 53.81 1wpg n ARG 505 Cb 0.17 -1.49 0.68 0.00 -1.16 0.00 0.00 32.46 30.67 1wpg n ARG 505 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wpg h ALA 506 N 0.71 2.84 -0.18 7.54 0.00 -1.33 0.81 119.26 129.66 1wpg h ALA 506 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1wpg h ALA 506 Cb 1.01 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1wpg h ALA 506 CO 0.06 -1.19 0.12 0.00 0.00 0.00 0.00 179.25 178.25 1wpg h ALA 507 N 1.49 2.02 -0.27 0.00 0.00 -1.85 -1.60 119.26 119.06 1wpg h ALA 507 Ca 0.55 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.33 1wpg h ALA 507 Cb 1.97 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1wpg h ALA 507 CO -0.08 -0.05 -0.33 0.28 0.00 0.00 0.00 179.25 179.07 1wpg h VAL 508 N 0.12 1.28 -0.73 0.00 2.07 -1.22 -3.48 116.25 114.29 1wpg h VAL 508 Ca 0.08 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1wpg h VAL 508 Cb 0.16 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1wpg h VAL 508 CO -0.01 0.46 0.00 0.61 0.02 0.00 0.00 177.57 178.65 1wpg n GLY 509 N -0.17 0.55 3.73 2.17 0.00 -0.60 -4.58 105.19 106.29 1wpg n GLY 509 Ca -0.01 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1wpg n GLY 509 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wpg s ASN 510 N -4.00 6.60 0.03 1.61 0.01 -1.26 -4.18 114.94 113.75 1wpg s ASN 510 Ca 0.00 2.64 0.00 0.00 -0.71 0.00 0.00 52.86 54.79 1wpg s ASN 510 Cb 0.00 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 1wpg s ASN 510 CO 0.00 -0.79 -0.03 -0.54 -1.51 0.00 0.00 177.10 174.23 1wpg s LYS 511 N 0.60 0.40 -0.14 -0.60 -0.14 0.11 -4.54 119.74 115.43 1wpg s LYS 511 Ca 0.66 -0.75 0.02 0.00 -1.36 0.00 0.00 55.97 54.54 1wpg s LYS 511 Cb -0.43 0.09 0.01 0.00 -1.68 0.00 0.00 37.83 35.81 1wpg s LYS 511 CO 0.36 -0.05 -0.21 -1.64 -0.76 0.00 0.00 175.35 173.05 1wpg s MET 512 N -1.98 3.07 -0.22 1.68 -1.94 -1.14 0.55 119.30 119.31 1wpg s MET 512 Ca -0.11 -0.83 -0.07 0.00 -1.71 0.00 0.00 55.69 52.97 1wpg s MET 512 Cb -0.06 -2.47 -0.03 0.00 2.01 0.00 0.00 34.83 34.27 1wpg s MET 512 CO -0.03 0.00 0.07 -0.06 -0.01 0.00 0.00 175.02 175.00 1wpg s PHE 513 N 0.79 3.15 0.06 -0.03 0.08 -0.16 -0.55 117.98 121.31 1wpg s PHE 513 Ca -0.07 -0.19 0.08 0.00 0.12 0.00 0.00 56.93 56.87 1wpg s PHE 513 Cb -0.16 -2.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.09 1wpg s PHE 513 CO -0.01 -0.14 -0.22 0.08 -0.10 0.00 0.00 175.22 174.83 1wpg s VAL 514 N 1.10 2.50 -0.02 -0.44 1.01 0.12 -1.08 120.40 123.58 1wpg s VAL 514 Ca 0.04 -1.34 -0.11 0.00 0.00 0.00 0.00 61.98 60.58 1wpg s VAL 514 Cb -0.14 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1wpg s VAL 514 CO 0.03 0.31 0.23 -1.59 0.00 0.00 0.00 175.10 174.09 1wpg s LYS 515 N -1.46 0.52 0.00 2.72 -2.85 -0.67 -0.55 119.74 117.46 1wpg s LYS 515 Ca 0.14 -0.16 0.00 0.00 -1.00 0.00 0.00 55.97 54.95 1wpg s LYS 515 Cb -0.10 0.23 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 1wpg s LYS 515 CO 0.04 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 175.78 1wpg n GLY 516 N 1.69 -1.30 3.66 0.59 0.00 -0.90 -1.42 105.19 107.52 1wpg n GLY 516 Ca -0.20 -1.08 -0.49 0.00 0.00 0.00 0.00 46.02 44.24 1wpg n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpg n ALA 517 N 0.00 0.55 -0.14 4.61 0.00 -0.60 -1.36 120.51 123.57 1wpg n ALA 517 Ca 0.00 0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.76 1wpg n ALA 517 Cb 0.00 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.10 1wpg n ALA 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1wpg h PRO 518 N 6.85 -0.24 -0.20 0.00 0.11 -1.91 -2.89 132.00 133.72 1wpg h PRO 518 Ca -0.47 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.70 1wpg h PRO 518 Cb 1.28 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.38 1wpg h PRO 518 CO 0.90 -0.16 -0.51 1.49 -0.21 0.00 0.00 178.00 179.51 1wpg h GLU 519 N -0.25 -0.50 -0.45 1.05 4.81 -1.98 0.19 114.58 117.45 1wpg h GLU 519 Ca 0.18 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1wpg h GLU 519 Cb 0.56 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1wpg h GLU 519 CO -0.58 -0.33 0.28 0.78 -0.73 0.00 0.00 179.01 178.42 1wpg h GLY 520 N -0.52 0.63 0.81 1.92 0.00 -1.90 -1.25 103.07 102.77 1wpg h GLY 520 Ca 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1wpg h GLY 520 CO -0.46 0.19 -0.06 -2.08 0.00 0.00 0.00 176.54 174.12 1wpg h VAL 521 N 0.56 0.96 -0.84 4.60 2.07 -1.27 -2.60 116.25 119.73 1wpg h VAL 521 Ca 0.18 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.36 1wpg h VAL 521 Cb -0.01 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1wpg h VAL 521 CO -0.07 0.10 0.51 0.40 0.02 0.00 0.00 177.57 178.53 1wpg h ILE 522 N -0.37 1.01 0.00 4.57 2.04 -0.54 0.78 117.51 125.00 1wpg h ILE 522 Ca -0.02 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1wpg h ILE 522 Cb 0.30 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1wpg h ILE 522 CO 0.03 0.17 -0.01 0.44 0.00 0.00 0.00 178.15 178.77 1wpg h ASP 523 N 0.92 0.00 -0.40 1.72 3.45 -1.12 -1.38 116.42 119.61 1wpg h ASP 523 Ca 0.38 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.84 1wpg h ASP 523 Cb 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1wpg h ASP 523 CO -0.19 0.01 0.00 0.54 -1.57 0.00 0.00 179.24 178.03 1wpg n ARG 524 N -4.34 2.58 -4.04 3.56 1.74 0.25 -4.86 116.66 111.55 1wpg n ARG 524 Ca -0.03 -1.72 -0.36 0.00 -0.77 0.00 0.00 57.85 54.97 1wpg n ARG 524 Cb 0.10 -1.61 -0.07 0.00 -1.02 0.00 0.00 32.46 29.86 1wpg n ARG 524 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wpg n ASN 526 N 1.93 0.18 -4.24 0.00 3.02 0.21 -4.82 115.26 111.54 1wpg n ASN 526 Ca -0.19 -0.59 -0.13 0.00 -0.03 0.00 0.00 54.58 53.64 1wpg n ASN 526 Cb 0.54 0.91 -0.10 0.00 -0.61 0.00 0.00 39.78 40.53 1wpg n ASN 526 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1wpg s TYR 527 N -1.08 1.24 0.00 3.10 2.02 -0.94 -0.32 117.35 121.38 1wpg s TYR 527 Ca 0.01 -1.24 0.00 0.00 -0.37 0.00 0.00 57.07 55.48 1wpg s TYR 527 Cb 0.01 -0.68 -0.00 0.00 -0.40 0.00 0.00 41.96 40.89 1wpg s TYR 527 CO 0.07 -0.45 -0.02 0.14 -1.57 0.00 0.00 175.55 173.72 1wpg s VAL 528 N -3.93 0.13 0.22 0.71 -7.23 -0.31 -0.77 120.40 109.23 1wpg s VAL 528 Ca 0.34 -0.17 -0.18 0.00 -1.81 0.00 0.00 61.98 60.16 1wpg s VAL 528 Cb 0.07 -0.14 -0.08 0.00 0.56 0.00 0.00 36.38 36.80 1wpg s VAL 528 CO 0.10 -0.03 0.70 -0.60 -0.31 0.00 0.00 175.10 174.96 1wpg s ARG 529 N -0.21 4.18 -0.34 4.82 3.52 0.05 -2.20 118.95 128.77 1wpg s ARG 529 Ca -0.01 0.79 -0.01 0.00 -0.13 0.00 0.00 55.73 56.37 1wpg s ARG 529 Cb -0.02 -2.84 0.13 0.00 -1.56 0.00 0.00 34.95 30.66 1wpg s ARG 529 CO -0.00 0.38 0.19 0.08 -0.81 0.00 0.00 175.30 175.14 1wpg s VAL 530 N -1.56 0.17 0.00 7.11 1.01 -0.66 -4.37 120.40 122.10 1wpg s VAL 530 Ca 0.43 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1wpg s VAL 530 Cb -0.16 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1wpg s VAL 530 CO 0.20 -0.90 0.00 0.61 0.00 0.00 0.00 175.10 175.01 1wpg n GLY 531 N 4.39 1.91 0.25 4.51 0.00 -1.26 -1.66 105.19 113.32 1wpg n GLY 531 Ca 0.06 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.87 1wpg n GLY 531 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wpg n THR 532 N 0.00 0.00 -2.59 2.61 -2.24 -1.26 -3.71 114.28 107.09 1wpg n THR 532 Ca 0.00 -0.49 -0.23 0.00 -2.27 0.00 0.00 64.05 61.05 1wpg n THR 532 Cb 0.00 1.13 0.10 0.00 -2.10 0.00 0.00 70.33 69.46 1wpg n THR 532 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wpg s THR 533 N -0.60 2.16 -0.16 4.28 -4.23 -0.66 -5.12 115.64 111.32 1wpg s THR 533 Ca 0.07 -0.60 -0.10 0.00 -1.18 0.00 0.00 61.69 59.88 1wpg s THR 533 Cb 0.05 -2.57 0.05 0.00 1.34 0.00 0.00 72.50 71.38 1wpg s THR 533 CO 0.09 0.00 0.39 -0.60 -0.54 0.00 0.00 174.62 173.96 1wpg s ARG 534 N -5.12 0.40 0.22 3.99 3.52 -1.26 -1.66 118.95 119.03 1wpg s ARG 534 Ca 0.66 0.70 0.05 0.00 -0.13 0.00 0.00 55.73 57.01 1wpg s ARG 534 Cb -0.06 0.04 -0.05 0.00 -1.56 0.00 0.00 34.95 33.32 1wpg s ARG 534 CO 0.44 -0.13 -0.07 0.14 -0.81 0.00 0.00 175.30 174.87 1wpg s VAL 535 N 1.07 1.36 0.71 7.11 -7.23 -0.94 -4.98 120.40 117.51 1wpg s VAL 535 Ca -0.07 -2.10 -0.13 0.00 -1.81 0.00 0.00 61.98 57.87 1wpg s VAL 535 Cb -0.07 -2.19 0.03 0.00 0.56 0.00 0.00 36.38 34.71 1wpg s VAL 535 CO -0.09 -0.48 1.10 -2.16 -0.31 0.00 0.00 175.10 173.17 1wpg s PRO 536 N -3.76 2.54 -0.20 4.82 0.04 -1.26 -1.16 135.00 136.03 1wpg s PRO 536 Ca 0.25 1.29 -0.28 0.00 0.04 0.00 0.00 61.00 62.30 1wpg s PRO 536 Cb 0.03 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.65 1wpg s PRO 536 CO 0.07 -1.44 0.97 1.41 0.04 0.00 0.00 177.00 178.06 1wpg s MET 537 N -4.46 4.29 0.40 4.56 1.75 0.56 -4.59 119.30 121.81 1wpg s MET 537 Ca 0.64 1.26 0.08 0.00 -1.25 0.00 0.00 55.69 56.42 1wpg s MET 537 Cb -0.19 -3.61 -0.07 0.00 2.84 0.00 0.00 34.83 33.80 1wpg s MET 537 CO 0.48 -0.50 0.05 0.95 -0.65 0.00 0.00 175.02 175.35 1wpg s THR 538 N 2.73 2.19 0.12 10.11 -4.23 -1.26 -4.92 115.64 120.39 1wpg s THR 538 Ca 0.43 -1.92 -0.26 0.00 -1.18 0.00 0.00 61.69 58.76 1wpg s THR 538 Cb -0.16 -2.95 -0.06 0.00 1.34 0.00 0.00 72.50 70.68 1wpg s THR 538 CO 0.10 -0.04 1.64 1.23 -0.54 0.00 0.00 174.62 177.01 1wpg h GLY 539 N 1.69 -0.37 0.65 3.99 0.00 -1.96 -0.83 103.07 106.23 1wpg h GLY 539 Ca -0.43 0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.24 1wpg h GLY 539 CO 0.75 -0.20 0.29 -2.55 0.00 0.00 0.00 176.54 174.83 1wpg h PRO 540 N -0.39 0.53 -0.48 4.80 0.11 -1.89 0.24 132.00 134.92 1wpg h PRO 540 Ca 0.06 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1wpg h PRO 540 Cb 0.46 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1wpg h PRO 540 CO -0.21 0.35 0.25 0.28 -0.21 0.00 0.00 178.00 178.46 1wpg h VAL 541 N 0.55 1.18 -0.00 3.15 2.07 -1.81 -1.46 116.25 119.92 1wpg h VAL 541 Ca 0.27 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1wpg h VAL 541 Cb 0.20 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1wpg h VAL 541 CO -0.19 0.20 0.00 0.50 0.02 0.00 0.00 177.57 178.10 1wpg h LYS 542 N 0.63 0.00 -0.42 1.57 3.64 -0.68 -1.82 116.57 119.50 1wpg h LYS 542 Ca 0.17 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1wpg h LYS 542 Cb 0.09 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1wpg h LYS 542 CO -0.02 0.08 0.23 0.93 -2.27 0.00 0.00 179.45 178.40 1wpg h GLU 543 N -0.08 0.57 -0.15 1.90 4.39 -0.85 -0.95 114.58 119.41 1wpg h GLU 543 Ca 0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1wpg h GLU 543 Cb 0.08 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1wpg h GLU 543 CO -0.00 0.42 0.03 -0.22 -1.16 0.00 0.00 179.01 178.08 1wpg h LYS 544 N 0.58 0.25 0.10 2.33 3.11 -0.98 -0.19 116.57 121.77 1wpg h LYS 544 Ca 0.15 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.93 1wpg h LYS 544 Cb 0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 1wpg h LYS 544 CO -0.03 0.41 -0.09 0.82 -2.81 0.00 0.00 179.45 177.76 1wpg h ILE 545 N 0.05 0.79 -0.45 2.00 1.08 -0.68 -2.66 117.51 117.64 1wpg h ILE 545 Ca 0.05 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.44 1wpg h ILE 545 Cb 0.28 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 1wpg h ILE 545 CO 0.00 0.00 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.37 1wpg h LEU 546 N -0.21 0.73 -0.91 1.44 3.38 -1.19 -2.14 115.31 116.40 1wpg h LEU 546 Ca 0.00 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1wpg h LEU 546 Cb 0.20 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1wpg h LEU 546 CO -0.02 0.81 0.25 0.77 0.09 0.00 0.00 178.44 180.34 1wpg h SER 547 N 0.70 0.97 0.01 -0.43 4.64 -0.86 0.19 113.55 118.77 1wpg h SER 547 Ca 0.14 -0.16 -0.22 0.00 -0.47 0.00 0.00 61.79 61.08 1wpg h SER 547 Cb 0.46 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1wpg h SER 547 CO 0.02 0.88 -0.82 0.58 -0.87 0.00 0.00 176.83 176.63 1wpg h VAL 548 N 1.02 1.31 -0.67 0.95 2.07 -1.31 -2.66 116.25 116.96 1wpg h VAL 548 Ca 0.23 -2.09 -0.02 0.00 0.82 0.00 0.00 66.70 65.64 1wpg h VAL 548 Cb 0.24 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1wpg h VAL 548 CO -0.01 0.65 0.34 0.40 0.02 0.00 0.00 177.57 178.96 1wpg h ILE 549 N 0.44 1.21 -0.58 4.57 2.04 -0.97 -1.37 117.51 122.84 1wpg h ILE 549 Ca -0.06 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 1wpg h ILE 549 Cb 1.44 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1wpg h ILE 549 CO 0.16 0.25 0.14 0.50 0.00 0.00 0.00 178.15 179.20 1wpg h LYS 550 N 0.95 0.92 -0.37 2.37 3.64 -0.52 -2.33 116.57 121.24 1wpg h LYS 550 Ca 0.24 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1wpg h LYS 550 Cb 0.07 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1wpg h LYS 550 CO -0.03 0.85 0.05 0.93 -2.27 0.00 0.00 179.45 178.98 1wpg h GLU 551 N 0.83 0.62 -0.30 1.90 5.08 -1.07 -2.94 114.58 118.70 1wpg h GLU 551 Ca 0.18 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wpg h GLU 551 Cb 0.34 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1wpg h GLU 551 CO 0.00 0.69 0.16 -1.49 -1.00 0.00 0.00 179.01 177.38 1wpg h TRP 552 N 0.46 0.39 -0.24 4.33 4.06 -1.15 -2.86 115.95 120.94 1wpg h TRP 552 Ca 0.11 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.06 1wpg h TRP 552 Cb 0.38 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1wpg h TRP 552 CO 0.03 0.28 0.00 0.41 -3.56 0.00 0.00 178.44 175.59 1wpg n GLY 553 N -1.40 0.28 0.58 1.49 0.00 -0.89 0.23 105.19 105.49 1wpg n GLY 553 Ca 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 1wpg n GLY 553 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wpg n THR 554 N 0.29 0.00 0.00 2.61 -2.24 -1.09 -4.51 114.28 109.34 1wpg n THR 554 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1wpg n THR 554 Cb 0.27 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1wpg n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpg n GLY 555 N 0.00 1.82 0.23 3.38 0.00 -1.16 -4.80 105.19 104.66 1wpg n GLY 555 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1wpg n GLY 555 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wpg h ARG 556 N 0.00 0.00 0.04 1.61 2.47 -1.94 -3.31 114.38 113.26 1wpg h ARG 556 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1wpg h ARG 556 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1wpg h ARG 556 CO 0.00 0.17 -0.02 -0.44 0.56 0.00 0.00 179.97 180.24 1wpg h ASP 557 N 0.00 -0.05 -6.19 7.04 3.32 -1.83 -3.48 116.42 115.23 1wpg h ASP 557 Ca -0.00 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.62 1wpg h ASP 557 Cb 0.69 0.01 0.05 0.00 0.22 0.00 0.00 39.33 40.31 1wpg h ASP 557 CO 0.02 0.07 -0.89 0.41 -1.72 0.00 0.00 179.24 177.13 1wpg n THR 558 N -2.71 -5.04 -3.26 0.35 -1.04 -0.07 -4.92 114.28 97.60 1wpg n THR 558 Ca -0.01 -0.74 -0.24 0.00 -2.04 0.00 0.00 64.05 61.02 1wpg n THR 558 Cb 0.02 -3.94 -0.01 0.00 -1.82 0.00 0.00 70.33 64.58 1wpg n THR 558 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1wpg s LEU 559 N -6.57 3.92 -0.38 -4.42 1.43 0.14 -4.86 118.68 107.94 1wpg s LEU 559 Ca 0.22 0.44 -0.22 0.00 -1.03 0.00 0.00 54.13 53.54 1wpg s LEU 559 Cb -0.07 -3.32 0.01 0.00 0.03 0.00 0.00 46.19 42.84 1wpg s LEU 559 CO 0.84 -0.39 0.73 -0.60 0.23 0.00 0.00 176.35 177.16 1wpg s ARG 560 N -4.39 3.65 -0.08 1.70 3.52 0.34 -4.27 118.95 119.42 1wpg s ARG 560 Ca 0.42 0.13 -0.04 0.00 -0.13 0.00 0.00 55.73 56.11 1wpg s ARG 560 Cb -0.10 -3.84 -0.04 0.00 -1.56 0.00 0.00 34.95 29.42 1wpg s ARG 560 CO 0.37 -0.86 0.11 0.00 -0.81 0.00 0.00 175.30 174.11 1wpg s LEU 562 N -1.23 1.71 -0.02 0.00 1.02 -0.60 -4.46 118.68 115.10 1wpg s LEU 562 Ca 0.17 -0.28 -0.14 0.00 0.02 0.00 0.00 54.13 53.91 1wpg s LEU 562 Cb -0.12 -0.77 -0.05 0.00 0.02 0.00 0.00 46.19 45.26 1wpg s LEU 562 CO 0.07 0.06 0.37 0.00 0.02 0.00 0.00 176.35 176.87 1wpg s ALA 563 N 0.46 3.71 -0.08 4.21 0.00 -0.46 -1.76 121.76 127.84 1wpg s ALA 563 Ca -0.10 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.61 1wpg s ALA 563 Cb -0.13 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 1wpg s ALA 563 CO 0.03 0.46 -0.15 -0.51 0.00 0.00 0.00 175.76 175.59 1wpg s LEU 564 N -0.94 2.67 0.25 0.00 1.43 0.16 -2.11 118.68 120.14 1wpg s LEU 564 Ca 0.22 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 1wpg s LEU 564 Cb -0.16 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 1wpg s LEU 564 CO 0.12 0.28 0.45 0.00 0.23 0.00 0.00 176.35 177.43 1wpg s ALA 565 N -0.33 -0.07 -0.08 4.21 0.00 0.29 -0.93 121.76 124.85 1wpg s ALA 565 Ca 0.03 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.94 1wpg s ALA 565 Cb -0.13 1.10 0.03 0.00 0.00 0.00 0.00 23.12 24.12 1wpg s ALA 565 CO 0.02 -0.83 0.20 0.95 0.00 0.00 0.00 175.76 176.11 1wpg s THR 566 N -3.94 -0.02 -0.34 0.00 -4.23 -0.78 0.13 115.64 106.46 1wpg s THR 566 Ca 0.24 0.08 -0.24 0.00 -1.18 0.00 0.00 61.69 60.59 1wpg s THR 566 Cb -0.00 -0.31 0.01 0.00 1.34 0.00 0.00 72.50 73.54 1wpg s THR 566 CO 0.10 0.03 0.83 -0.60 -0.54 0.00 0.00 174.62 174.44 1wpg s ARG 567 N 0.64 3.86 0.30 3.99 3.52 0.29 -1.72 118.95 129.82 1wpg s ARG 567 Ca -0.04 0.51 0.07 0.00 -0.13 0.00 0.00 55.73 56.13 1wpg s ARG 567 Cb -0.06 -3.78 0.46 0.00 -1.56 0.00 0.00 34.95 30.02 1wpg s ARG 567 CO -0.03 -0.82 1.70 -0.44 -0.81 0.00 0.00 175.30 174.90 1wpg h ASP 568 N 8.33 0.22 -2.75 -2.12 3.45 -1.87 -3.03 116.42 118.65 1wpg h ASP 568 Ca -0.24 -0.09 -0.61 0.00 0.43 0.00 0.00 57.03 56.52 1wpg h ASP 568 Cb 1.09 -0.06 -0.41 0.00 -0.56 0.00 0.00 39.33 39.39 1wpg h ASP 568 CO 0.92 0.62 -0.71 0.41 -1.57 0.00 0.00 179.24 178.92 1wpg n THR 569 N -4.01 0.78 -1.40 0.35 -1.04 -1.26 -4.80 114.28 102.89 1wpg n THR 569 Ca -0.02 -4.45 -0.30 0.00 -2.04 0.00 0.00 64.05 57.25 1wpg n THR 569 Cb 0.49 -2.02 0.11 0.00 -1.82 0.00 0.00 70.33 67.09 1wpg n THR 569 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1wpg s PRO 570 N -1.11 1.83 1.11 -2.82 0.04 -1.26 -5.03 135.00 127.77 1wpg s PRO 570 Ca 0.29 0.76 -0.13 0.00 0.04 0.00 0.00 61.00 61.96 1wpg s PRO 570 Cb 0.01 -1.88 0.25 0.00 0.04 0.00 0.00 34.50 32.92 1wpg s PRO 570 CO -0.16 -1.83 1.05 -2.14 0.04 0.00 0.00 177.00 173.96 1wpg s PRO 571 N -5.05 -0.50 0.39 0.56 0.02 -1.26 -4.97 135.00 124.20 1wpg s PRO 571 Ca 0.62 0.62 -0.25 0.00 0.02 0.00 0.00 61.00 62.01 1wpg s PRO 571 Cb -0.16 -1.62 -0.09 0.00 0.02 0.00 0.00 34.50 32.66 1wpg s PRO 571 CO 0.55 -3.38 1.18 0.15 -0.33 0.00 0.00 177.00 175.17 1wpg s LYS 572 N -4.71 4.08 0.39 5.54 3.01 -1.26 -4.90 119.74 121.90 1wpg s LYS 572 Ca 0.67 1.87 0.17 0.00 -1.01 0.00 0.00 55.97 57.67 1wpg s LYS 572 Cb -0.22 -2.71 1.06 0.00 -1.01 0.00 0.00 37.83 34.95 1wpg s LYS 572 CO 0.61 -0.31 1.79 0.00 0.51 0.00 0.00 175.35 177.96 1wpg h ARG 573 N 2.70 0.43 0.00 1.68 3.08 -1.97 0.12 114.38 120.41 1wpg h ARG 573 Ca -0.49 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1wpg h ARG 573 Cb 1.23 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1wpg h ARG 573 CO 0.63 0.28 0.00 0.39 -1.07 0.00 0.00 179.97 180.20 1wpg n GLU 574 N -4.62 0.12 -0.32 0.04 4.71 -1.26 -3.00 120.64 116.32 1wpg n GLU 574 Ca 0.24 0.24 0.10 0.00 -0.01 0.00 0.00 57.16 57.72 1wpg n GLU 574 Cb 0.81 -1.69 0.27 0.00 -1.01 0.00 0.00 31.44 29.82 1wpg n GLU 574 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1wpg n GLU 575 N -1.91 2.45 -4.03 3.49 1.02 0.41 -4.87 120.64 117.19 1wpg n GLU 575 Ca 0.04 -2.18 -0.34 0.00 -0.02 0.00 0.00 57.16 54.66 1wpg n GLU 575 Cb 0.29 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.07 1wpg n GLU 575 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wpg s MET 576 N -1.24 3.19 -0.88 3.49 -1.94 -1.16 -4.93 119.30 115.83 1wpg s MET 576 Ca 0.40 -0.72 -0.23 0.00 -1.71 0.00 0.00 55.69 53.43 1wpg s MET 576 Cb 0.21 -2.79 0.07 0.00 2.01 0.00 0.00 34.83 34.33 1wpg s MET 576 CO 0.27 -0.19 1.27 0.08 -0.01 0.00 0.00 175.02 176.43 1wpg s VAL 577 N 1.36 4.12 -0.88 -6.03 1.01 -1.26 -4.86 120.40 113.86 1wpg s VAL 577 Ca 0.05 -0.63 0.16 0.00 0.00 0.00 0.00 61.98 61.56 1wpg s VAL 577 Cb -0.14 -4.91 0.15 0.00 0.00 0.00 0.00 36.38 31.48 1wpg s VAL 577 CO -0.08 -1.75 1.52 0.18 0.00 0.00 0.00 175.10 174.97 1wpg n LEU 578 N 8.29 0.15 -1.28 3.92 4.77 -1.26 -2.90 117.00 128.68 1wpg n LEU 578 Ca 0.19 0.54 0.10 0.00 -0.03 0.00 0.00 56.01 56.80 1wpg n LEU 578 Cb 0.49 -0.52 0.30 0.00 -2.33 0.00 0.00 43.42 41.37 1wpg n LEU 578 CO 0.63 -0.32 0.76 -0.90 -1.33 0.00 0.00 177.39 176.23 1wpg n ASP 579 N -1.67 4.07 -3.67 -1.43 5.68 -1.26 -4.70 116.55 113.57 1wpg n ASP 579 Ca 0.03 -2.22 -0.29 0.00 -0.50 0.00 0.00 54.79 51.81 1wpg n ASP 579 Cb 0.18 -0.48 -0.12 0.00 -1.14 0.00 0.00 41.12 39.56 1wpg n ASP 579 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1wpg s ASP 580 N -1.02 3.40 0.55 -1.12 2.15 -1.14 -4.98 116.67 114.51 1wpg s ASP 580 Ca 0.45 -2.89 0.31 0.00 0.43 0.00 0.00 52.55 50.84 1wpg s ASP 580 Cb 0.26 -0.99 1.47 0.00 -0.30 0.00 0.00 42.92 43.36 1wpg s ASP 580 CO 0.26 -0.22 1.87 0.77 -0.17 0.00 0.00 175.17 177.68 1wpg h SER 581 N 6.32 0.00 0.22 -0.34 4.64 -1.84 0.81 113.55 123.36 1wpg h SER 581 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1wpg h SER 581 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1wpg h SER 581 CO 0.49 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.91 1wpg n SER 582 N -4.11 0.20 0.08 4.97 3.41 -1.26 -1.23 113.62 115.67 1wpg n SER 582 Ca 0.17 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.46 1wpg n SER 582 Cb 0.93 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 1wpg n SER 582 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wpg n ARG 583 N -1.75 0.62 -0.19 4.33 5.12 0.28 -4.48 116.66 120.60 1wpg n ARG 583 Ca 0.01 0.06 0.15 0.00 -1.93 0.00 0.00 57.85 56.14 1wpg n ARG 583 Cb 0.08 -1.76 0.48 0.00 -1.16 0.00 0.00 32.46 30.10 1wpg n ARG 583 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 1wpg h PHE 584 N 0.00 0.55 -0.58 -1.55 0.05 -1.29 -2.71 116.94 111.41 1wpg h PHE 584 Ca -0.01 0.02 0.02 0.00 3.82 0.00 0.00 57.97 61.82 1wpg h PHE 584 Cb 1.02 -0.17 -0.03 0.00 2.00 0.00 0.00 35.95 38.76 1wpg h PHE 584 CO 0.00 0.21 0.37 1.98 -0.18 0.00 0.00 178.31 180.68 1wpg h MET 585 N 0.47 0.72 -0.52 1.51 4.05 -1.78 -1.90 114.93 117.47 1wpg h MET 585 Ca 0.39 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.76 1wpg h MET 585 Cb 0.84 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.45 1wpg h MET 585 CO -0.14 0.47 0.28 1.49 0.23 0.00 0.00 176.91 179.25 1wpg h GLU 586 N 0.74 0.71 0.00 0.39 4.81 -1.80 -1.25 114.58 118.18 1wpg h GLU 586 Ca 0.23 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1wpg h GLU 586 Cb -0.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1wpg h GLU 586 CO -0.08 0.53 -0.34 1.88 -0.73 0.00 0.00 179.01 180.27 1wpg h TYR 587 N 0.72 0.00 -1.69 0.92 0.05 -1.43 -3.17 116.97 112.36 1wpg h TYR 587 Ca 0.19 0.00 -0.70 0.00 0.05 0.00 0.00 58.73 58.27 1wpg h TYR 587 Cb 0.02 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 37.53 1wpg h TYR 587 CO 0.00 0.34 1.02 0.39 -1.05 0.00 0.00 178.16 178.86 1wpg n GLU 588 N -3.42 3.33 -4.63 4.88 1.02 -0.47 -4.88 120.64 116.47 1wpg n GLU 588 Ca 0.00 -3.39 -0.28 0.00 -0.02 0.00 0.00 57.16 53.48 1wpg n GLU 588 Cb 0.52 -2.31 -0.10 0.00 -0.02 0.00 0.00 31.44 29.54 1wpg n GLU 588 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1wpg s THR 589 N -3.73 1.57 -1.47 2.62 -4.23 -1.20 -4.76 115.64 104.44 1wpg s THR 589 Ca 0.52 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.93 1wpg s THR 589 Cb 0.35 -2.71 0.06 0.00 1.34 0.00 0.00 72.50 71.55 1wpg s THR 589 CO -0.28 0.00 0.91 -0.67 -0.54 0.00 0.00 174.62 174.04 1wpg n ASP 590 N -1.03 -3.83 -4.90 3.99 2.03 -1.02 -4.92 116.55 106.88 1wpg n ASP 590 Ca -0.08 -0.79 -0.28 0.00 0.52 0.00 0.00 54.79 54.16 1wpg n ASP 590 Cb 0.67 -3.95 0.04 0.00 -0.72 0.00 0.00 41.12 37.16 1wpg n ASP 590 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wpg s LEU 591 N -7.12 3.02 -0.24 -2.67 1.43 -0.39 -4.62 118.68 108.09 1wpg s LEU 591 Ca 0.48 0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 54.44 1wpg s LEU 591 Cb -0.24 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.35 1wpg s LEU 591 CO 0.82 -1.27 -0.08 -0.89 0.23 0.00 0.00 176.35 175.17 1wpg s THR 592 N -3.20 2.81 0.13 5.49 2.01 -0.70 -0.62 115.64 121.57 1wpg s THR 592 Ca 0.57 -0.98 -0.31 0.00 0.31 0.00 0.00 61.69 61.27 1wpg s THR 592 Cb -0.11 -2.39 -0.09 0.00 0.01 0.00 0.00 72.50 69.92 1wpg s THR 592 CO 0.48 0.25 1.44 0.12 -0.69 0.00 0.00 174.62 176.22 1wpg s PHE 593 N 1.33 3.19 -0.14 4.92 2.19 0.05 -1.87 117.98 127.65 1wpg s PHE 593 Ca 0.01 0.87 -0.10 0.00 0.33 0.00 0.00 56.93 58.04 1wpg s PHE 593 Cb -0.16 -3.75 -0.06 0.00 -1.31 0.00 0.00 43.02 37.73 1wpg s PHE 593 CO -0.05 -2.67 -0.22 0.28 1.83 0.00 0.00 175.22 174.38 1wpg n VAL 594 N 3.88 1.11 -3.65 3.12 0.31 -0.11 -0.77 118.33 122.22 1wpg n VAL 594 Ca 0.12 -0.07 -0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1wpg n VAL 594 Cb 0.41 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 1wpg n VAL 594 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wpg n GLY 595 N 2.02 0.95 2.93 2.92 0.00 -1.00 -4.20 105.19 108.82 1wpg n GLY 595 Ca -0.25 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 1wpg n GLY 595 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wpg s VAL 596 N -2.35 0.27 0.04 1.61 1.01 -0.64 0.40 120.40 120.74 1wpg s VAL 596 Ca 0.02 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 61.93 1wpg s VAL 596 Cb -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1wpg s VAL 596 CO 0.00 0.07 -0.25 0.68 0.00 0.00 0.00 175.10 175.60 1wpg s VAL 597 N -0.10 2.23 -0.11 2.92 -7.23 -0.72 -1.39 120.40 116.00 1wpg s VAL 597 Ca 0.01 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 1wpg s VAL 597 Cb -0.01 -1.87 0.01 0.00 0.56 0.00 0.00 36.38 35.07 1wpg s VAL 597 CO -0.00 0.38 -0.18 -0.83 -0.31 0.00 0.00 175.10 174.17 1wpg s GLY 598 N -1.20 1.13 0.15 2.32 0.00 0.20 -1.55 107.32 108.37 1wpg s GLY 598 Ca 0.12 -0.82 0.05 0.00 0.00 0.00 0.00 44.72 44.07 1wpg s GLY 598 CO 0.02 0.10 -0.11 -3.16 0.00 0.00 0.00 173.10 169.95 1wpg s MET 599 N 0.85 1.09 0.24 2.90 0.23 -0.50 -0.63 119.30 123.48 1wpg s MET 599 Ca -0.09 -1.46 -0.21 0.00 -1.03 0.00 0.00 55.69 52.90 1wpg s MET 599 Cb -0.15 -0.69 0.03 0.00 -1.53 0.00 0.00 34.83 32.48 1wpg s MET 599 CO -0.00 0.09 0.66 -0.48 -2.03 0.00 0.00 175.02 173.26 1wpg s LEU 600 N -3.17 -0.27 -0.61 0.18 2.34 -0.57 -0.50 118.68 116.07 1wpg s LEU 600 Ca 0.17 -0.45 -0.19 0.00 0.06 0.00 0.00 54.13 53.72 1wpg s LEU 600 Cb 0.02 2.59 0.11 0.00 -0.56 0.00 0.00 46.19 48.34 1wpg s LEU 600 CO 0.01 -1.21 0.72 -0.62 -1.06 0.00 0.00 176.35 174.20 1wpg s ASP 601 N -2.88 6.22 0.40 1.48 2.15 -1.26 -1.42 116.67 121.37 1wpg s ASP 601 Ca 0.09 -1.50 -0.26 0.00 0.43 0.00 0.00 52.55 51.31 1wpg s ASP 601 Cb -0.04 -2.30 -0.09 0.00 -0.30 0.00 0.00 42.92 40.19 1wpg s ASP 601 CO 0.01 -1.10 1.25 -2.16 -0.17 0.00 0.00 175.17 173.00 1wpg s PRO 602 N 2.61 4.00 0.60 4.34 0.04 -1.26 -4.81 135.00 140.52 1wpg s PRO 602 Ca 0.12 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.03 1wpg s PRO 602 Cb -0.23 -2.73 -0.03 0.00 0.04 0.00 0.00 34.50 31.55 1wpg s PRO 602 CO 0.05 -0.42 1.13 -1.25 0.04 0.00 0.00 177.00 176.55 1wpg s PRO 603 N -2.25 3.03 0.52 0.56 0.04 -1.26 -1.70 135.00 133.94 1wpg s PRO 603 Ca 0.57 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 62.96 1wpg s PRO 603 Cb -0.35 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 1wpg s PRO 603 CO 0.45 -1.09 1.09 1.03 0.04 0.00 0.00 177.00 178.52 1wpg s ARG 604 N -3.64 3.55 0.16 4.56 0.52 -0.17 -4.75 118.95 119.18 1wpg s ARG 604 Ca 0.71 1.52 -0.19 0.00 -0.52 0.00 0.00 55.73 57.25 1wpg s ARG 604 Cb -0.23 -2.06 0.08 0.00 0.52 0.00 0.00 34.95 33.25 1wpg s ARG 604 CO 0.34 -0.67 1.65 1.57 0.02 0.00 0.00 175.30 178.21 1wpg h LYS 605 N 1.39 -0.10 -0.02 3.54 2.10 -1.94 -2.73 116.57 118.81 1wpg h LYS 605 Ca -0.50 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1wpg h LYS 605 Cb 1.24 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1wpg h LYS 605 CO 0.58 -0.07 0.00 -0.85 -2.00 0.00 0.00 179.45 177.11 1wpg n GLU 606 N -5.35 1.06 -0.04 0.07 0.00 -1.26 -4.19 120.64 110.94 1wpg n GLU 606 Ca 0.01 -0.10 -0.13 0.00 0.00 0.00 0.00 57.16 56.94 1wpg n GLU 606 Cb 0.26 -1.22 -0.09 0.00 0.00 0.00 0.00 31.44 30.39 1wpg n GLU 606 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1wpg h VAL 607 N 0.18 1.40 -0.25 3.84 2.07 -1.84 -2.27 116.25 119.37 1wpg h VAL 607 Ca 0.00 -1.37 0.05 0.00 0.82 0.00 0.00 66.70 66.20 1wpg h VAL 607 Cb 0.04 2.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1wpg h VAL 607 CO 0.00 0.38 -0.08 -0.03 0.02 0.00 0.00 177.57 177.87 1wpg h MET 608 N -0.26 -0.02 -0.45 1.57 -1.53 -1.78 0.67 114.93 113.13 1wpg h MET 608 Ca 0.01 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.26 1wpg h MET 608 Cb 0.67 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.71 1wpg h MET 608 CO 0.03 -0.01 0.24 0.78 0.14 0.00 0.00 176.91 178.08 1wpg h GLY 609 N -0.02 0.68 0.73 1.39 0.00 -1.83 -2.59 103.07 101.43 1wpg h GLY 609 Ca 0.13 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.19 1wpg h GLY 609 CO -0.27 0.30 0.41 1.76 0.00 0.00 0.00 176.54 178.74 1wpg h SER 610 N 0.59 0.63 -0.36 0.19 0.02 -0.79 -0.43 113.55 113.40 1wpg h SER 610 Ca 0.16 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1wpg h SER 610 Cb 0.07 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1wpg h SER 610 CO -0.02 0.41 0.18 0.40 -1.14 0.00 0.00 176.83 176.66 1wpg h ILE 611 N 0.77 0.98 -0.50 3.27 1.08 -0.64 -0.38 117.51 122.09 1wpg h ILE 611 Ca 0.31 -0.13 -0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1wpg h ILE 611 Cb 0.15 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1wpg h ILE 611 CO -0.16 0.07 0.30 -0.61 -0.69 0.00 0.00 178.15 177.06 1wpg h GLN 612 N 0.37 0.68 -0.61 2.37 5.75 -0.96 -0.95 115.11 121.75 1wpg h GLN 612 Ca 0.15 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 1wpg h GLN 612 Cb 0.06 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1wpg h GLN 612 CO -0.11 0.49 0.30 -0.07 -2.65 0.00 0.00 178.83 176.79 1wpg h LEU 613 N 0.67 0.77 -0.48 -2.39 3.38 -0.73 -1.51 115.31 115.03 1wpg h LEU 613 Ca 0.18 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1wpg h LEU 613 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1wpg h LEU 613 CO -0.03 0.65 0.18 0.00 0.09 0.00 0.00 178.44 179.33 1wpg h ARG 615 N 0.63 1.10 -0.07 0.00 2.43 -0.44 0.86 114.38 118.88 1wpg h ARG 615 Ca 0.16 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1wpg h ARG 615 Cb 0.22 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1wpg h ARG 615 CO -0.01 0.73 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.61 1wpg h ASP 616 N 1.14 0.10 -0.31 -3.80 3.32 -0.99 -1.07 116.42 114.82 1wpg h ASP 616 Ca 0.33 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1wpg h ASP 616 Cb -0.06 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1wpg h ASP 616 CO -0.09 0.25 0.00 0.00 -1.72 0.00 0.00 179.24 177.68 1wpg n ALA 617 N -2.50 2.84 -1.25 3.45 0.00 -0.63 -4.48 120.51 117.93 1wpg n ALA 617 Ca -0.02 -0.77 -0.09 0.00 0.00 0.00 0.00 53.44 52.57 1wpg n ALA 617 Cb 0.23 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 1wpg n ALA 617 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wpg n GLY 618 N 0.64 1.02 3.55 0.00 0.00 -0.40 -3.57 105.19 106.43 1wpg n GLY 618 Ca 0.12 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 1wpg n GLY 618 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wpg s ILE 619 N -2.24 5.29 0.45 -0.61 1.01 0.20 -4.69 121.20 120.61 1wpg s ILE 619 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 1wpg s ILE 619 Cb 0.00 -3.66 -0.10 0.00 0.01 0.00 0.00 42.46 38.71 1wpg s ILE 619 CO 0.00 0.07 0.97 -0.13 0.00 0.00 0.00 174.94 175.85 1wpg s ARG 620 N 1.75 4.13 -0.11 2.79 0.52 -0.59 -3.22 118.95 124.21 1wpg s ARG 620 Ca 0.07 1.15 0.01 0.00 -0.52 0.00 0.00 55.73 56.44 1wpg s ARG 620 Cb -0.17 -2.16 0.02 0.00 0.52 0.00 0.00 34.95 33.16 1wpg s ARG 620 CO 0.11 -0.13 -0.13 0.08 0.02 0.00 0.00 175.30 175.26 1wpg s VAL 621 N -2.18 1.35 -0.12 3.52 1.01 -1.26 -0.07 120.40 122.65 1wpg s VAL 621 Ca 0.63 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1wpg s VAL 621 Cb -0.10 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1wpg s VAL 621 CO 0.16 0.41 -0.18 -0.63 0.00 0.00 0.00 175.10 174.86 1wpg s ILE 622 N 1.23 2.60 -0.04 2.22 1.01 -0.46 -4.91 121.20 122.86 1wpg s ILE 622 Ca -0.02 -0.82 -0.19 0.00 0.00 0.00 0.00 60.65 59.62 1wpg s ILE 622 Cb -0.14 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 1wpg s ILE 622 CO -0.04 0.54 0.52 -0.32 0.00 0.00 0.00 174.94 175.64 1wpg s MET 623 N 0.37 4.25 -0.23 2.79 -2.45 -0.02 0.94 119.30 124.95 1wpg s MET 623 Ca -0.14 0.58 -0.03 0.00 -1.25 0.00 0.00 55.69 54.85 1wpg s MET 623 Cb -0.17 -3.35 0.07 0.00 1.25 0.00 0.00 34.83 32.64 1wpg s MET 623 CO 0.07 0.37 0.06 0.42 1.05 0.00 0.00 175.02 176.99 1wpg s ILE 624 N -0.13 0.51 0.09 10.11 1.01 0.54 -1.08 121.20 132.26 1wpg s ILE 624 Ca 0.28 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 60.21 1wpg s ILE 624 Cb -0.17 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1wpg s ILE 624 CO 0.14 -0.38 -0.10 0.28 0.00 0.00 0.00 174.94 174.88 1wpg s THR 625 N 1.84 0.92 -0.88 2.92 -1.32 0.35 -4.02 115.64 115.45 1wpg s THR 625 Ca 0.03 -1.59 0.27 0.00 -1.21 0.00 0.00 61.69 59.18 1wpg s THR 625 Cb -0.17 -1.30 0.15 0.00 -1.51 0.00 0.00 72.50 69.67 1wpg s THR 625 CO -0.15 -0.53 1.66 0.61 -2.21 0.00 0.00 174.62 173.99 1wpg n GLY 626 N 0.65 -1.46 3.68 6.08 0.00 -1.24 -2.20 105.19 110.70 1wpg n GLY 626 Ca -0.17 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1wpg n GLY 626 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wpg s ASP 627 N -3.51 2.48 0.64 1.61 -1.08 -1.26 -3.77 116.67 111.77 1wpg s ASP 627 Ca 0.11 1.09 -0.15 0.00 -0.52 0.00 0.00 52.55 53.08 1wpg s ASP 627 Cb 0.16 -1.71 -0.01 0.00 -1.46 0.00 0.00 42.92 39.90 1wpg s ASP 627 CO 0.62 -3.21 1.08 0.20 0.52 0.00 0.00 175.17 174.38 1wpg s ASN 628 N -3.55 5.41 0.12 -0.34 0.01 -1.26 -0.54 114.94 114.79 1wpg s ASN 628 Ca 0.66 1.88 -0.22 0.00 -0.71 0.00 0.00 52.86 54.47 1wpg s ASN 628 Cb -0.18 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 38.90 1wpg s ASN 628 CO 0.57 -1.42 1.69 0.50 -1.51 0.00 0.00 177.10 176.93 1wpg h LYS 629 N 0.12 -0.11 0.02 -0.60 3.64 -1.95 -1.33 116.57 116.37 1wpg h LYS 629 Ca -0.46 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1wpg h LYS 629 Cb 1.23 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.03 1wpg h LYS 629 CO 0.56 -0.07 -0.33 0.78 -2.27 0.00 0.00 179.45 178.11 1wpg h GLY 630 N -0.11 -0.57 1.87 5.01 0.00 -2.00 0.11 103.07 107.38 1wpg h GLY 630 Ca 0.07 0.40 -0.12 0.00 0.00 0.00 0.00 47.33 47.69 1wpg h GLY 630 CO -0.18 -0.24 -0.49 0.00 0.00 0.00 0.00 176.54 175.63 1wpg h THR 631 N -0.50 1.35 -0.39 4.70 1.03 -1.89 -2.12 112.91 115.09 1wpg h THR 631 Ca 0.05 -1.71 0.01 0.00 -0.01 0.00 0.00 66.41 64.76 1wpg h THR 631 Cb 0.57 1.85 -0.02 0.00 -1.07 0.00 0.00 68.15 69.49 1wpg h THR 631 CO -0.26 0.50 0.25 0.00 -0.01 0.00 0.00 175.52 176.00 1wpg h ALA 632 N 1.38 0.49 -0.50 0.00 0.00 -0.64 -0.72 119.26 119.27 1wpg h ALA 632 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1wpg h ALA 632 Cb 0.91 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1wpg h ALA 632 CO 0.07 -0.07 0.02 0.82 0.00 0.00 0.00 179.25 180.09 1wpg h ILE 633 N 0.51 1.26 -0.99 0.00 2.04 -0.63 -1.88 117.51 117.82 1wpg h ILE 633 Ca 0.15 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 65.01 1wpg h ILE 633 Cb -0.04 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1wpg h ILE 633 CO -0.04 0.37 0.64 0.00 0.00 0.00 0.00 178.15 179.11 1wpg h ALA 634 N 0.94 1.32 -0.08 1.87 0.00 -1.08 -0.52 119.26 121.72 1wpg h ALA 634 Ca 0.14 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1wpg h ALA 634 Cb 0.49 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1wpg h ALA 634 CO 0.02 0.50 -0.53 0.82 0.00 0.00 0.00 179.25 180.06 1wpg h ILE 635 N 1.22 1.36 -0.72 0.00 1.08 -0.93 -1.31 117.51 118.21 1wpg h ILE 635 Ca 0.40 -1.82 -0.05 0.00 -0.39 0.00 0.00 64.86 63.01 1wpg h ILE 635 Cb 0.05 1.90 -0.03 0.00 -3.07 0.00 0.00 36.82 35.66 1wpg h ILE 635 CO -0.14 0.54 0.26 0.00 -0.69 0.00 0.00 178.15 178.12 1wpg h ARG 637 N 1.06 0.86 -0.64 0.00 3.08 -1.06 0.29 114.38 117.96 1wpg h ARG 637 Ca 0.24 -0.49 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 1wpg h ARG 637 Cb 0.24 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1wpg h ARG 637 CO -0.02 1.13 0.39 0.00 -1.07 0.00 0.00 179.97 180.40 1wpg h ARG 638 N 0.68 0.86 -0.41 0.04 3.08 -0.73 -2.80 114.38 115.10 1wpg h ARG 638 Ca 0.04 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1wpg h ARG 638 Cb 1.04 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1wpg h ARG 638 CO 0.10 0.60 0.00 0.44 -1.07 0.00 0.00 179.97 180.05 1wpg n ILE 639 N -4.60 0.55 -0.77 2.04 -5.35 -0.31 -4.94 119.36 105.97 1wpg n ILE 639 Ca 0.05 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 1wpg n ILE 639 Cb 0.05 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 1wpg n ILE 639 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wpg n GLY 640 N 1.26 0.71 0.28 3.28 0.00 -0.78 -4.45 105.19 105.49 1wpg n GLY 640 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1wpg n GLY 640 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wpg h ILE 641 N 0.00 1.27 -3.17 -0.61 2.04 -0.73 -3.43 117.51 112.87 1wpg h ILE 641 Ca 0.00 -1.30 -0.65 0.00 1.00 0.00 0.00 64.86 63.91 1wpg h ILE 641 Cb 0.00 1.09 -0.18 0.00 -0.74 0.00 0.00 36.82 37.00 1wpg h ILE 641 CO 0.00 0.45 -0.80 -0.36 0.00 0.00 0.00 178.15 177.44 1wpg s PHE 642 N -4.72 2.38 0.77 1.37 2.99 -1.03 -4.99 117.98 114.75 1wpg s PHE 642 Ca -0.10 -0.33 -0.11 0.00 0.00 0.00 0.00 56.93 56.39 1wpg s PHE 642 Cb 0.13 -1.18 0.05 0.00 0.00 0.00 0.00 43.02 42.02 1wpg s PHE 642 CO 0.85 0.50 1.08 0.20 -0.00 0.00 0.00 175.22 177.85 1wpg s GLY 643 N -2.69 1.65 0.40 4.36 0.00 -1.26 -4.30 107.32 105.48 1wpg s GLY 643 Ca 0.21 -0.02 0.12 0.00 0.00 0.00 0.00 44.72 45.03 1wpg s GLY 643 CO 0.11 0.36 1.94 0.83 0.00 0.00 0.00 173.10 176.34 1wpg h GLU 644 N -1.00 0.52 0.00 2.90 5.08 -1.97 -2.76 114.58 117.33 1wpg h GLU 644 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1wpg h GLU 644 Cb 1.24 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1wpg h GLU 644 CO 0.57 0.34 0.00 -1.71 -1.00 0.00 0.00 179.01 177.21 1wpg n ASN 645 N -4.49 1.83 -4.69 1.42 4.05 -1.26 -5.06 115.26 107.06 1wpg n ASN 645 Ca 0.12 -1.83 -0.43 0.00 0.45 0.00 0.00 54.58 52.89 1wpg n ASN 645 Cb 0.39 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.39 1wpg n ASN 645 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1wpg n GLU 646 N -0.41 2.13 -2.51 1.20 2.13 -1.04 -4.93 120.64 117.21 1wpg n GLU 646 Ca 0.00 0.75 -0.42 0.00 0.66 0.00 0.00 57.16 58.15 1wpg n GLU 646 Cb 0.21 -2.37 -0.03 0.00 0.27 0.00 0.00 31.44 29.52 1wpg n GLU 646 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1wpg s GLU 647 N -1.36 4.41 -0.05 5.31 2.56 -1.26 -4.86 118.70 123.47 1wpg s GLU 647 Ca 0.60 1.63 0.08 0.00 0.00 0.00 0.00 54.97 57.28 1wpg s GLU 647 Cb -0.59 -3.48 0.19 0.00 2.00 0.00 0.00 34.13 32.25 1wpg s GLU 647 CO 0.58 -0.32 1.14 1.33 -0.56 0.00 0.00 175.26 177.43 1wpg n VAL 648 N 4.29 1.33 -0.34 3.70 0.24 -1.26 -4.80 118.33 121.50 1wpg n VAL 648 Ca 0.09 -1.36 -0.06 0.00 -2.04 0.00 0.00 64.34 60.97 1wpg n VAL 648 Cb 0.47 0.26 -0.04 0.00 -1.47 0.00 0.00 33.84 33.06 1wpg n VAL 648 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wpg n ALA 649 N -0.47 -0.38 -1.00 2.33 0.00 -1.26 -0.77 120.51 118.95 1wpg n ALA 649 Ca 0.08 0.75 0.07 0.00 0.00 0.00 0.00 53.44 54.34 1wpg n ALA 649 Cb 0.44 -0.20 0.29 0.00 0.00 0.00 0.00 19.45 19.98 1wpg n ALA 649 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wpg n ASP 650 N -5.10 4.21 -0.40 0.00 5.68 -1.26 -4.39 116.55 115.28 1wpg n ASP 650 Ca 0.04 -3.05 0.04 0.00 -0.50 0.00 0.00 54.79 51.32 1wpg n ASP 650 Cb 0.26 -0.59 0.07 0.00 -1.14 0.00 0.00 41.12 39.72 1wpg n ASP 650 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1wpg n ARG 651 N -0.32 1.51 -3.76 0.11 1.74 0.05 -4.34 116.66 111.65 1wpg n ARG 651 Ca 0.24 -1.44 -0.13 0.00 -0.77 0.00 0.00 57.85 55.75 1wpg n ARG 651 Cb 0.98 -1.18 -0.13 0.00 -1.02 0.00 0.00 32.46 31.11 1wpg n ARG 651 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wpg s ALA 652 N -0.84 -0.42 0.04 7.54 0.00 -1.02 -1.01 121.76 126.05 1wpg s ALA 652 Ca 0.13 0.72 -0.00 0.00 0.00 0.00 0.00 51.96 52.81 1wpg s ALA 652 Cb 0.08 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1wpg s ALA 652 CO 0.11 -0.15 -0.03 0.71 0.00 0.00 0.00 175.76 176.40 1wpg s TYR 653 N 0.83 0.40 0.47 0.00 2.02 0.17 -4.92 117.35 116.32 1wpg s TYR 653 Ca -0.06 -0.79 0.02 0.00 -0.37 0.00 0.00 57.07 55.87 1wpg s TYR 653 Cb -0.08 -0.29 0.01 0.00 -0.40 0.00 0.00 41.96 41.20 1wpg s TYR 653 CO -0.05 -0.28 0.68 0.95 -1.57 0.00 0.00 175.55 175.28 1wpg s THR 654 N -2.67 3.32 0.14 -0.71 -4.23 -1.26 -0.11 115.64 110.12 1wpg s THR 654 Ca -0.04 -0.69 -0.18 0.00 -1.18 0.00 0.00 61.69 59.60 1wpg s THR 654 Cb -0.01 -3.21 -0.02 0.00 1.34 0.00 0.00 72.50 70.60 1wpg s THR 654 CO -0.05 -0.13 1.77 1.23 -0.54 0.00 0.00 174.62 176.90 1wpg h GLY 655 N 0.35 0.40 1.00 3.99 0.00 -0.32 -0.22 103.07 108.26 1wpg h GLY 655 Ca -0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 1wpg h GLY 655 CO 0.53 0.09 0.36 -0.09 0.00 0.00 0.00 176.54 177.43 1wpg h ARG 656 N 0.32 0.83 -0.77 4.80 2.43 -1.85 -1.39 114.38 118.75 1wpg h ARG 656 Ca 0.12 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1wpg h ARG 656 Cb 0.03 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 1wpg h ARG 656 CO -0.08 0.60 0.46 0.93 -1.51 0.00 0.00 179.97 180.37 1wpg h GLU 657 N 0.83 1.04 -0.43 0.20 5.08 -1.86 -2.00 114.58 117.45 1wpg h GLU 657 Ca 0.22 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1wpg h GLU 657 Cb -0.01 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1wpg h GLU 657 CO -0.04 0.74 0.21 0.35 -1.00 0.00 0.00 179.01 179.28 1wpg h PHE 658 N 1.05 0.61 -0.08 4.33 3.04 -0.58 -2.45 116.94 122.86 1wpg h PHE 658 Ca 0.27 -0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.13 1wpg h PHE 658 Cb -0.03 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 1wpg h PHE 658 CO -0.01 0.49 -0.28 -0.44 -2.02 0.00 0.00 178.31 176.05 1wpg h ASP 659 N 0.55 0.13 0.05 0.41 3.32 -1.08 -2.21 116.42 117.60 1wpg h ASP 659 Ca 0.15 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1wpg h ASP 659 Cb 0.10 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1wpg h ASP 659 CO -0.02 0.42 -0.04 -0.78 -1.72 0.00 0.00 179.24 177.11 1wpg h ASP 660 N 0.12 0.00 -4.02 6.45 3.58 -0.88 -3.43 116.42 118.25 1wpg h ASP 660 Ca 0.02 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.98 1wpg h ASP 660 Cb 0.57 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.66 1wpg h ASP 660 CO 0.04 0.04 0.42 -0.76 -2.88 0.00 0.00 179.24 176.09 1wpg s LEU 661 N -8.37 3.98 0.58 2.28 1.43 -0.83 -5.01 118.68 112.73 1wpg s LEU 661 Ca -0.05 2.06 -0.19 0.00 -1.03 0.00 0.00 54.13 54.93 1wpg s LEU 661 Cb 0.16 -4.36 -0.04 0.00 0.03 0.00 0.00 46.19 41.97 1wpg s LEU 661 CO 0.62 -0.73 1.15 -2.16 0.23 0.00 0.00 176.35 175.45 1wpg s PRO 662 N -2.86 3.16 0.44 1.29 0.04 -1.26 -4.67 135.00 131.14 1wpg s PRO 662 Ca 0.63 1.63 0.31 0.00 0.04 0.00 0.00 61.00 63.61 1wpg s PRO 662 Cb -0.21 -1.98 1.44 0.00 0.04 0.00 0.00 34.50 33.79 1wpg s PRO 662 CO 0.26 -1.01 1.62 -0.07 0.04 0.00 0.00 177.00 177.84 1wpg h LEU 663 N 0.93 0.23 0.09 -3.56 4.07 -1.95 0.13 115.31 115.25 1wpg h LEU 663 Ca -0.50 0.13 -0.00 0.00 0.08 0.00 0.00 57.88 57.59 1wpg h LEU 663 Cb 1.27 0.12 0.00 0.00 1.08 0.00 0.00 40.66 43.13 1wpg h LEU 663 CO 0.56 -0.18 -0.04 0.00 -1.08 0.00 0.00 178.44 177.70 1wpg h ALA 664 N 1.58 -0.12 -0.94 1.53 0.00 -2.01 -2.98 119.26 116.31 1wpg h ALA 664 Ca 0.82 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.52 1wpg h ALA 664 Cb 2.62 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 20.42 1wpg h ALA 664 CO -0.40 -0.36 0.56 0.93 0.00 0.00 0.00 179.25 179.98 1wpg h GLU 665 N -0.54 1.29 -0.69 0.00 4.39 -1.17 -2.46 114.58 115.39 1wpg h GLU 665 Ca -0.01 -0.12 0.12 0.00 0.34 0.00 0.00 59.36 59.69 1wpg h GLU 665 Cb 0.45 -0.27 -0.09 0.00 -0.10 0.00 0.00 28.75 28.74 1wpg h GLU 665 CO 0.02 0.91 0.25 1.96 -1.16 0.00 0.00 179.01 180.99 1wpg h GLN 666 N 1.31 0.39 -0.66 2.33 4.20 -1.17 0.18 115.11 121.69 1wpg h GLN 666 Ca 0.34 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 1wpg h GLN 666 Cb -0.04 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1wpg h GLN 666 CO -0.06 0.26 0.36 -0.09 -0.67 0.00 0.00 178.83 178.63 1wpg h ARG 667 N 0.41 0.91 0.00 1.46 2.43 -1.28 -2.89 114.38 115.43 1wpg h ARG 667 Ca 0.37 -0.10 -0.21 0.00 -0.81 0.00 0.00 59.98 59.22 1wpg h ARG 667 Cb 0.53 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1wpg h ARG 667 CO -0.38 0.69 -0.92 1.49 -1.51 0.00 0.00 179.97 179.34 1wpg h GLU 668 N 0.90 0.31 -0.72 0.20 4.57 -1.17 -3.15 114.58 115.50 1wpg h GLU 668 Ca 0.23 -0.34 0.09 0.00 -1.18 0.00 0.00 59.36 58.17 1wpg h GLU 668 Cb 0.03 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 1wpg h GLU 668 CO -0.04 1.04 0.48 0.00 -1.18 0.00 0.00 179.01 179.30 1wpg h ALA 669 N 0.85 1.84 0.00 2.92 0.00 -0.53 0.14 119.26 124.48 1wpg h ALA 669 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wpg h ALA 669 Cb 1.55 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1wpg h ALA 669 CO 0.15 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1wpg n ARG 671 N -2.98 0.64 -0.11 0.00 1.74 0.44 -4.58 116.66 111.81 1wpg n ARG 671 Ca -0.01 0.21 -0.25 0.00 -0.77 0.00 0.00 57.85 57.03 1wpg n ARG 671 Cb 0.20 -1.74 -0.11 0.00 -1.02 0.00 0.00 32.46 29.79 1wpg n ARG 671 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1wpg n ARG 672 N -2.93 0.62 -2.31 5.56 0.63 -0.91 -4.98 116.66 112.33 1wpg n ARG 672 Ca -0.18 0.30 -0.36 0.00 -0.92 0.00 0.00 57.85 56.69 1wpg n ARG 672 Cb 1.00 -1.57 -0.01 0.00 0.45 0.00 0.00 32.46 32.33 1wpg n ARG 672 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wpg s ALA 673 N -2.49 2.93 0.00 5.13 0.00 0.13 -4.86 121.76 122.61 1wpg s ALA 673 Ca -0.34 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1wpg s ALA 673 Cb 0.11 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1wpg s ALA 673 CO 0.57 -0.60 0.76 0.00 0.00 0.00 0.00 175.76 176.49 1wpg s PHE 676 N 2.38 2.22 0.35 0.00 0.40 -0.24 -0.66 117.98 122.44 1wpg s PHE 676 Ca 0.02 -1.21 0.07 0.00 -0.60 0.00 0.00 56.93 55.20 1wpg s PHE 676 Cb -0.12 -1.61 -0.07 0.00 0.51 0.00 0.00 43.02 41.73 1wpg s PHE 676 CO -0.08 -0.64 -0.01 0.00 0.70 0.00 0.00 175.22 175.19 1wpg s ALA 677 N 1.33 2.79 -1.49 5.36 0.00 0.84 -0.50 121.76 130.09 1wpg s ALA 677 Ca 0.02 -2.14 -0.11 0.00 0.00 0.00 0.00 51.96 49.73 1wpg s ALA 677 Cb -0.13 0.25 0.07 0.00 0.00 0.00 0.00 23.12 23.31 1wpg s ALA 677 CO -0.09 -0.12 0.92 0.54 0.00 0.00 0.00 175.76 177.02 1wpg n ARG 678 N -0.80 -5.37 -3.44 0.00 1.74 0.30 0.04 116.66 109.13 1wpg n ARG 678 Ca -0.04 0.60 -0.30 0.00 -0.77 0.00 0.00 57.85 57.34 1wpg n ARG 678 Cb 0.66 -5.41 -0.04 0.00 -1.02 0.00 0.00 32.46 26.65 1wpg n ARG 678 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1wpg s VAL 679 N -3.38 5.05 0.33 1.55 1.01 -1.06 -3.11 120.40 120.79 1wpg s VAL 679 Ca 0.54 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.67 1wpg s VAL 679 Cb -0.27 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1wpg s VAL 679 CO 0.83 -0.20 0.38 -1.61 0.00 0.00 0.00 175.10 174.49 1wpg s GLU 680 N -3.25 2.92 0.35 2.72 2.02 -1.26 -4.43 118.70 117.77 1wpg s GLU 680 Ca 0.43 -1.16 0.07 0.00 0.02 0.00 0.00 54.97 54.34 1wpg s GLU 680 Cb -0.11 -2.64 0.77 0.00 0.10 0.00 0.00 34.13 32.25 1wpg s GLU 680 CO 0.27 0.08 1.89 -1.35 0.02 0.00 0.00 175.26 176.17 1wpg h PRO 681 N 1.08 0.72 0.00 0.39 0.11 -1.79 -0.50 132.00 132.00 1wpg h PRO 681 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1wpg h PRO 681 Cb 1.25 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1wpg h PRO 681 CO 0.56 0.48 -0.19 0.77 -0.21 0.00 0.00 178.00 179.40 1wpg h SER 682 N 0.74 0.00 -0.57 -2.05 0.02 -1.95 -2.91 113.55 106.83 1wpg h SER 682 Ca 0.42 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.31 1wpg h SER 682 Cb 0.59 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1wpg h SER 682 CO -0.18 0.19 0.11 0.45 -1.14 0.00 0.00 176.83 176.26 1wpg h HIS 683 N 0.00 0.99 -0.41 3.45 3.86 -1.47 -0.81 115.15 120.76 1wpg h HIS 683 Ca -0.00 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1wpg h HIS 683 Cb 0.61 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 1wpg h HIS 683 CO 0.00 0.86 0.25 0.87 0.86 0.00 0.00 177.93 180.76 1wpg h LYS 684 N 0.83 0.55 -0.15 2.45 1.57 -1.50 -0.51 116.57 119.80 1wpg h LYS 684 Ca 0.17 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1wpg h LYS 684 Cb 0.39 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1wpg h LYS 684 CO 0.01 0.41 -0.39 0.66 -0.57 0.00 0.00 179.45 179.56 1wpg h SER 685 N 0.53 0.35 -0.31 0.86 4.64 -1.56 -1.91 113.55 116.16 1wpg h SER 685 Ca 0.15 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1wpg h SER 685 Cb -0.00 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1wpg h SER 685 CO -0.03 0.72 0.07 0.50 -0.87 0.00 0.00 176.83 177.22 1wpg h LYS 686 N 0.28 0.49 -0.04 4.77 3.64 -0.67 -0.12 116.57 124.93 1wpg h LYS 686 Ca 0.03 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.19 1wpg h LYS 686 Cb 0.82 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1wpg h LYS 686 CO 0.07 0.57 -0.42 -0.84 -2.27 0.00 0.00 179.45 176.55 1wpg h ILE 687 N 0.34 1.31 -0.48 2.00 3.07 -0.96 -1.33 117.51 121.46 1wpg h ILE 687 Ca 0.10 -1.50 -0.10 0.00 1.55 0.00 0.00 64.86 64.91 1wpg h ILE 687 Cb 0.29 1.76 -0.02 0.00 -0.27 0.00 0.00 36.82 38.59 1wpg h ILE 687 CO 0.00 0.43 -0.08 0.58 -1.05 0.00 0.00 178.15 178.03 1wpg h VAL 688 N 0.07 1.27 -0.62 0.16 2.07 -1.05 -2.06 116.25 116.09 1wpg h VAL 688 Ca 0.00 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.34 1wpg h VAL 688 Cb 0.78 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1wpg h VAL 688 CO 0.06 0.42 0.40 -0.08 0.02 0.00 0.00 177.57 178.38 1wpg h GLU 689 N 0.75 0.78 -0.12 1.57 4.81 -0.59 -1.53 114.58 120.25 1wpg h GLU 689 Ca 0.13 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1wpg h GLU 689 Cb 0.63 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1wpg h GLU 689 CO 0.04 0.51 0.07 1.88 -0.73 0.00 0.00 179.01 180.79 1wpg h TYR 690 N 0.80 0.15 -0.27 0.92 0.99 -1.01 0.58 116.97 119.12 1wpg h TYR 690 Ca 0.24 0.00 0.06 0.00 2.00 0.00 0.00 58.73 61.03 1wpg h TYR 690 Cb -0.04 -0.05 -0.06 0.00 1.00 0.00 0.00 36.73 37.58 1wpg h TYR 690 CO -0.04 0.11 -0.11 -0.07 -0.00 0.00 0.00 178.16 178.05 1wpg h LEU 691 N 0.14 -0.38 -2.09 3.88 -0.00 -1.05 0.91 115.31 116.72 1wpg h LEU 691 Ca 0.04 0.10 0.03 0.00 -0.00 0.00 0.00 57.88 58.05 1wpg h LEU 691 Cb 0.00 0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 40.88 1wpg h LEU 691 CO -0.01 -0.14 0.07 1.56 -0.00 0.00 0.00 178.44 179.92 1wpg h GLN 692 N -0.06 0.00 0.00 1.13 4.20 -0.88 0.48 115.11 119.99 1wpg h GLN 692 Ca 0.14 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1wpg h GLN 692 Cb 0.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1wpg h GLN 692 CO -0.32 0.00 -0.01 0.66 -0.67 0.00 0.00 178.83 178.49 1wpg h SER 693 N 0.00 0.00 -0.48 1.46 4.64 0.15 0.63 113.55 119.95 1wpg h SER 693 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1wpg h SER 693 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1wpg h SER 693 CO -0.00 0.01 0.00 -1.22 -0.87 0.00 0.00 176.83 174.75 1wpg n TYR 694 N -3.24 1.48 -3.68 4.77 4.02 0.16 -4.91 117.16 115.76 1wpg n TYR 694 Ca -0.02 -0.54 -0.26 0.00 -0.01 0.00 0.00 57.90 57.07 1wpg n TYR 694 Cb 0.12 -0.35 0.06 0.00 -0.02 0.00 0.00 39.34 39.15 1wpg n TYR 694 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1wpg n ASP 695 N 0.62 -5.83 -4.86 7.72 8.00 0.22 -4.99 116.55 117.43 1wpg n ASP 695 Ca 0.21 -0.61 -0.35 0.00 0.71 0.00 0.00 54.79 54.75 1wpg n ASP 695 Cb 0.90 -4.61 -0.06 0.00 -0.02 0.00 0.00 41.12 37.34 1wpg n ASP 695 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1wpg s GLU 696 N -6.40 3.37 -0.61 -1.24 2.02 -1.21 -4.86 118.70 109.76 1wpg s GLU 696 Ca 0.60 -0.25 -0.25 0.00 0.02 0.00 0.00 54.97 55.09 1wpg s GLU 696 Cb -0.28 -3.09 0.04 0.00 0.10 0.00 0.00 34.13 30.90 1wpg s GLU 696 CO 0.75 0.72 1.05 0.42 0.02 0.00 0.00 175.26 178.22 1wpg s ILE 697 N -1.14 4.19 -0.07 -1.63 -1.09 -1.26 -4.32 121.20 115.87 1wpg s ILE 697 Ca 0.20 0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 58.90 1wpg s ILE 697 Cb -0.12 -4.67 -0.03 0.00 -1.58 0.00 0.00 42.46 36.06 1wpg s ILE 697 CO 0.10 -1.36 -0.01 0.42 -1.23 0.00 0.00 174.94 172.86 1wpg s THR 698 N 4.47 4.18 0.28 2.92 -4.23 -1.26 -1.64 115.64 120.37 1wpg s THR 698 Ca 0.32 -0.33 0.09 0.00 -1.18 0.00 0.00 61.69 60.59 1wpg s THR 698 Cb -0.12 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.92 1wpg s THR 698 CO 0.18 0.58 0.01 0.00 -0.54 0.00 0.00 174.62 174.84 1wpg s ALA 699 N -0.89 3.19 -0.02 3.99 0.00 -0.27 -1.68 121.76 126.08 1wpg s ALA 699 Ca 0.14 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.38 1wpg s ALA 699 Cb -0.11 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.33 1wpg s ALA 699 CO 0.03 0.21 -0.00 1.41 0.00 0.00 0.00 175.76 177.41 1wpg s MET 700 N -3.69 0.26 -0.08 0.00 0.00 -0.31 -0.11 119.30 115.36 1wpg s MET 700 Ca 0.33 0.04 0.03 0.00 0.00 0.00 0.00 55.69 56.08 1wpg s MET 700 Cb -0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 34.83 34.37 1wpg s MET 700 CO 0.20 -0.08 -0.16 0.99 0.00 0.00 0.00 175.02 175.97 1wpg s THR 701 N 0.73 2.86 0.25 10.11 2.01 -0.30 0.89 115.64 132.19 1wpg s THR 701 Ca -0.07 -0.77 -0.21 0.00 0.31 0.00 0.00 61.69 60.95 1wpg s THR 701 Cb -0.10 -2.14 0.06 0.00 0.01 0.00 0.00 72.50 70.33 1wpg s THR 701 CO -0.01 0.56 0.89 -0.83 -0.69 0.00 0.00 174.62 174.54 1wpg s GLY 702 N -0.20 0.07 0.00 4.40 0.00 -0.39 -1.10 107.32 110.11 1wpg s GLY 702 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.37 1wpg s GLY 702 CO 0.03 0.56 0.00 2.09 0.00 0.00 0.00 173.10 175.78 1wpg n ASP 703 N -0.96 0.34 -4.97 1.64 5.75 -1.26 -1.88 116.55 115.20 1wpg n ASP 703 Ca -0.06 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.51 1wpg n ASP 703 Cb 0.60 0.06 0.03 0.00 -1.03 0.00 0.00 41.12 40.77 1wpg n ASP 703 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1wpg s GLY 704 N -0.40 1.75 0.21 6.12 0.00 -1.26 -0.71 107.32 113.03 1wpg s GLY 704 Ca 0.00 -1.28 0.23 0.00 0.00 0.00 0.00 44.72 43.67 1wpg s GLY 704 CO 0.00 -1.05 1.70 3.33 0.00 0.00 0.00 173.10 177.08 1wpg n VAL 705 N -2.19 0.79 1.44 1.40 0.24 -1.26 -1.45 118.33 117.29 1wpg n VAL 705 Ca 0.06 0.15 0.15 0.00 -2.04 0.00 0.00 64.34 62.65 1wpg n VAL 705 Cb 0.59 -1.04 0.74 0.00 -1.47 0.00 0.00 33.84 32.66 1wpg n VAL 705 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1wpg n ASN 706 N -2.13 0.08 0.01 -1.34 6.94 -1.14 -2.81 115.26 114.87 1wpg n ASN 706 Ca 0.03 -0.25 0.11 0.00 -0.02 0.00 0.00 54.58 54.45 1wpg n ASN 706 Cb 0.26 -0.24 -0.08 0.00 -2.36 0.00 0.00 39.78 37.36 1wpg n ASN 706 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1wpg n ASP 707 N -1.22 0.49 -0.19 0.53 8.00 -0.53 -4.49 116.55 119.14 1wpg n ASP 707 Ca 0.15 -0.25 -0.08 0.00 0.71 0.00 0.00 54.79 55.31 1wpg n ASP 707 Cb 0.24 1.25 -0.03 0.00 -0.02 0.00 0.00 41.12 42.56 1wpg n ASP 707 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wpg h ALA 708 N 2.39 -0.32 -0.22 2.24 0.00 -1.55 0.40 119.26 122.20 1wpg h ALA 708 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1wpg h ALA 708 Cb 0.80 0.92 -0.06 0.00 0.00 0.00 0.00 17.79 19.46 1wpg h ALA 708 CO 0.00 -0.82 -0.19 -1.35 0.00 0.00 0.00 179.25 176.89 1wpg h PRO 709 N -0.25 -0.19 -0.79 0.00 0.11 -1.82 0.17 132.00 129.23 1wpg h PRO 709 Ca 0.17 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 1wpg h PRO 709 Cb 0.57 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.68 1wpg h PRO 709 CO -0.66 -0.13 0.38 0.00 -0.21 0.00 0.00 178.00 177.38 1wpg h ALA 710 N 0.89 1.02 -0.41 -0.75 0.00 -1.59 -0.06 119.26 118.37 1wpg h ALA 710 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1wpg h ALA 710 Cb 0.39 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1wpg h ALA 710 CO -0.34 0.59 0.21 -0.07 0.00 0.00 0.00 179.25 179.64 1wpg h LEU 711 N 1.12 0.49 0.11 0.00 3.38 0.48 -1.61 115.31 119.29 1wpg h LEU 711 Ca 0.27 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1wpg h LEU 711 Cb 0.12 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wpg h LEU 711 CO -0.03 0.41 -0.05 0.50 0.09 0.00 0.00 178.44 179.36 1wpg h LYS 712 N 0.56 -0.14 -0.42 1.13 1.63 -0.26 -3.32 116.57 115.75 1wpg h LYS 712 Ca 0.14 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.96 1wpg h LYS 712 Cb 0.04 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 1wpg h LYS 712 CO -0.02 0.35 0.28 -0.22 -3.45 0.00 0.00 179.45 176.39 1wpg h LYS 713 N -0.78 0.54 -7.17 1.90 1.63 -0.89 -3.44 116.57 108.36 1wpg h LYS 713 Ca -0.02 -0.03 -0.52 0.00 -0.85 0.00 0.00 60.65 59.23 1wpg h LYS 713 Cb 0.56 -0.12 0.12 0.00 -0.60 0.00 0.00 32.23 32.19 1wpg h LYS 713 CO 0.03 0.35 0.40 0.00 -3.45 0.00 0.00 179.45 176.78 1wpg s ALA 714 N -5.49 2.38 0.18 5.00 0.00 -0.62 -4.93 121.76 118.28 1wpg s ALA 714 Ca -0.08 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 1wpg s ALA 714 Cb 0.18 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 20.00 1wpg s ALA 714 CO 0.73 -1.42 1.79 0.93 0.00 0.00 0.00 175.76 177.79 1wpg h GLU 715 N 0.13 0.88 -4.25 0.00 3.07 -1.62 -3.39 114.58 109.40 1wpg h GLU 715 Ca -0.48 -0.11 -0.56 0.00 -0.50 0.00 0.00 59.36 57.71 1wpg h GLU 715 Cb 1.27 -0.17 -0.37 0.00 -0.84 0.00 0.00 28.75 28.64 1wpg h GLU 715 CO 0.53 0.68 -0.80 0.42 -1.40 0.00 0.00 179.01 178.44 1wpg s ILE 716 N -5.82 1.21 -0.25 3.13 1.09 -1.21 -4.98 121.20 114.38 1wpg s ILE 716 Ca -0.13 -0.67 -0.10 0.00 -1.10 0.00 0.00 60.65 58.65 1wpg s ILE 716 Cb 0.13 -1.35 -0.05 0.00 -1.06 0.00 0.00 42.46 40.14 1wpg s ILE 716 CO 0.78 0.17 0.16 -0.83 -0.10 0.00 0.00 174.94 175.11 1wpg s GLY 717 N 1.59 1.95 -0.21 6.18 0.00 -1.25 -1.16 107.32 114.42 1wpg s GLY 717 Ca 0.01 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 43.75 1wpg s GLY 717 CO -0.08 0.45 -0.09 -0.42 0.00 0.00 0.00 173.10 172.97 1wpg s ILE 718 N 1.25 2.95 -0.00 0.90 1.01 0.26 -0.11 121.20 127.46 1wpg s ILE 718 Ca 0.07 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1wpg s ILE 718 Cb -0.14 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1wpg s ILE 718 CO 0.06 0.43 -0.02 0.00 0.00 0.00 0.00 174.94 175.41 1wpg s ALA 719 N 1.41 3.19 0.24 9.38 0.00 -0.17 -1.26 121.76 134.55 1wpg s ALA 719 Ca 0.05 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 1wpg s ALA 719 Cb -0.14 -1.27 -0.09 0.00 0.00 0.00 0.00 23.12 21.62 1wpg s ALA 719 CO -0.06 0.63 1.19 -1.64 0.00 0.00 0.00 175.76 175.88 1wpg s MET 720 N -1.49 4.52 0.41 0.00 -1.94 -0.79 -0.82 119.30 119.18 1wpg s MET 720 Ca 0.18 1.91 0.14 0.00 -1.71 0.00 0.00 55.69 56.21 1wpg s MET 720 Cb -0.11 -3.20 0.98 0.00 2.01 0.00 0.00 34.83 34.51 1wpg s MET 720 CO 0.09 -0.01 1.91 0.78 -0.01 0.00 0.00 175.02 177.78 1wpg h GLY 721 N 4.52 0.83 -3.18 -0.03 0.00 -1.22 -0.24 103.07 103.75 1wpg h GLY 721 Ca -0.46 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1wpg h GLY 721 CO 0.71 0.08 0.00 -1.14 0.00 0.00 0.00 176.54 176.18 1wpg n SER 722 N -4.50 4.97 -2.25 0.19 3.41 -1.26 -4.93 113.62 109.25 1wpg n SER 722 Ca 0.15 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.20 1wpg n SER 722 Cb 0.50 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1wpg n SER 722 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wpg n GLY 723 N 1.01 -0.53 3.83 5.00 0.00 -0.10 -5.05 105.19 109.35 1wpg n GLY 723 Ca 0.26 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 1wpg n GLY 723 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wpg s THR 724 N -0.25 4.48 0.23 2.61 -4.23 0.11 -4.95 115.64 113.65 1wpg s THR 724 Ca 0.00 1.32 -0.06 0.00 -1.18 0.00 0.00 61.69 61.77 1wpg s THR 724 Cb 0.00 -3.65 0.20 0.00 1.34 0.00 0.00 72.50 70.40 1wpg s THR 724 CO 0.00 -0.44 1.86 0.00 -0.54 0.00 0.00 174.62 175.50 1wpg h ALA 725 N 1.59 1.13 -0.38 3.99 0.00 -1.97 -1.55 119.26 122.08 1wpg h ALA 725 Ca -0.48 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.48 1wpg h ALA 725 Cb 1.18 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1wpg h ALA 725 CO 0.62 0.30 0.04 0.28 0.00 0.00 0.00 179.25 180.48 1wpg h VAL 726 N 0.98 0.76 -0.70 0.00 2.07 -1.91 0.95 116.25 118.41 1wpg h VAL 726 Ca 0.35 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.81 1wpg h VAL 726 Cb 0.11 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1wpg h VAL 726 CO -0.15 0.03 0.39 0.00 0.02 0.00 0.00 177.57 177.86 1wpg h ALA 727 N 1.31 0.89 -0.27 1.67 0.00 -1.56 -2.25 119.26 119.05 1wpg h ALA 727 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wpg h ALA 727 Cb 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1wpg h ALA 727 CO -0.27 0.39 0.11 0.87 0.00 0.00 0.00 179.25 180.35 1wpg h LYS 728 N 0.95 0.40 0.00 0.00 1.57 -0.44 -2.64 116.57 116.41 1wpg h LYS 728 Ca 0.25 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1wpg h LYS 728 Cb 0.02 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1wpg h LYS 728 CO -0.04 0.42 -0.04 1.79 -0.57 0.00 0.00 179.45 181.01 1wpg h THR 729 N 0.29 0.16 -0.23 -0.16 1.35 -0.66 -1.92 112.91 111.75 1wpg h THR 729 Ca 0.09 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1wpg h THR 729 Cb 0.17 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1wpg h THR 729 CO -0.01 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 175.30 1wpg n ALA 730 N -2.14 2.48 -2.63 6.62 0.00 -0.86 -4.64 120.51 119.33 1wpg n ALA 730 Ca -0.01 -0.72 -0.23 0.00 0.00 0.00 0.00 53.44 52.49 1wpg n ALA 730 Cb 0.21 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 1wpg n ALA 730 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wpg s SER 731 N -1.61 4.83 0.09 0.00 0.01 -0.72 -3.93 113.70 112.36 1wpg s SER 731 Ca 0.35 -0.60 0.17 0.00 1.31 0.00 0.00 55.95 57.18 1wpg s SER 731 Cb 0.20 -0.93 -0.11 0.00 0.21 0.00 0.00 66.02 65.39 1wpg s SER 731 CO 0.29 -0.12 0.89 -0.33 0.41 0.00 0.00 173.24 174.38 1wpg h GLU 732 N 1.66 0.00 -4.07 12.44 3.07 -0.81 -3.44 114.58 123.43 1wpg h GLU 732 Ca -0.45 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.26 1wpg h GLU 732 Cb 1.25 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 28.97 1wpg h GLU 732 CO 0.61 0.29 -0.69 -1.64 -1.40 0.00 0.00 179.01 176.18 1wpg s MET 733 N -2.95 0.41 -0.05 2.33 -1.94 -0.76 0.51 119.30 116.84 1wpg s MET 733 Ca -0.02 -0.81 0.02 0.00 -1.71 0.00 0.00 55.69 53.17 1wpg s MET 733 Cb 0.09 0.14 0.01 0.00 2.01 0.00 0.00 34.83 37.08 1wpg s MET 733 CO 0.80 -0.07 -0.10 0.08 -0.01 0.00 0.00 175.02 175.72 1wpg s VAL 734 N -2.27 0.96 -0.97 -6.03 1.01 0.46 -1.00 120.40 112.55 1wpg s VAL 734 Ca -0.08 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 1wpg s VAL 734 Cb -0.04 -0.89 0.18 0.00 0.00 0.00 0.00 36.38 35.63 1wpg s VAL 734 CO -0.04 0.31 1.08 -0.76 0.00 0.00 0.00 175.10 175.69 1wpg s LEU 735 N 0.65 5.69 0.58 3.92 1.43 -0.00 -0.96 118.68 129.98 1wpg s LEU 735 Ca -0.12 -2.58 0.31 0.00 -1.03 0.00 0.00 54.13 50.70 1wpg s LEU 735 Cb -0.15 -2.32 1.38 0.00 0.03 0.00 0.00 46.19 45.13 1wpg s LEU 735 CO 0.02 -0.78 1.73 0.00 0.23 0.00 0.00 176.35 177.56 1wpg h ALA 736 N 7.98 2.64 -0.50 4.21 0.00 -1.68 0.15 119.26 132.05 1wpg h ALA 736 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wpg h ALA 736 Cb 0.98 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wpg h ALA 736 CO 1.02 -1.19 0.00 -0.40 0.00 0.00 0.00 179.25 178.68 1wpg n ASP 737 N -3.72 3.90 -1.70 0.00 5.75 -1.26 -4.61 116.55 114.91 1wpg n ASP 737 Ca 0.17 -2.32 -0.08 0.00 -0.01 0.00 0.00 54.79 52.55 1wpg n ASP 737 Cb 1.05 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 40.67 1wpg n ASP 737 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1wpg n ASP 738 N 0.75 -2.44 -4.52 -1.12 8.00 0.31 -4.88 116.55 112.66 1wpg n ASP 738 Ca 0.20 0.24 -0.42 0.00 0.71 0.00 0.00 54.79 55.52 1wpg n ASP 738 Cb 0.69 -2.33 -0.08 0.00 -0.02 0.00 0.00 41.12 39.39 1wpg n ASP 738 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1wpg s ASN 739 N -1.82 6.26 0.50 -2.24 3.84 -1.26 -4.95 114.94 115.28 1wpg s ASN 739 Ca 0.00 -0.39 0.22 0.00 0.21 0.00 0.00 52.86 52.90 1wpg s ASN 739 Cb 0.00 -2.26 1.28 0.00 -0.55 0.00 0.00 41.25 39.72 1wpg s ASN 739 CO 0.00 -0.60 1.97 0.15 -2.79 0.00 0.00 177.10 175.83 1wpg h PHE 740 N 8.69 0.16 -0.52 0.43 3.57 -1.90 -1.05 116.94 126.32 1wpg h PHE 740 Ca -0.27 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.36 1wpg h PHE 740 Cb 1.11 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 1wpg h PHE 740 CO 0.68 0.06 0.36 0.77 -2.23 0.00 0.00 178.31 177.96 1wpg h SER 741 N 0.14 0.16 0.01 0.41 0.02 -1.93 -1.19 113.55 111.17 1wpg h SER 741 Ca 0.29 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1wpg h SER 741 Cb 0.95 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1wpg h SER 741 CO -0.04 0.09 -0.01 0.74 -1.14 0.00 0.00 176.83 176.48 1wpg h THR 742 N 0.17 0.83 -0.54 -2.27 2.02 -1.53 -1.83 112.91 109.77 1wpg h THR 742 Ca 0.25 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.35 1wpg h THR 742 Cb 0.74 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1wpg h THR 742 CO -0.04 0.01 0.16 0.40 0.37 0.00 0.00 175.52 176.42 1wpg h ILE 743 N 0.00 1.24 -0.68 3.11 2.04 -1.38 0.84 117.51 122.67 1wpg h ILE 743 Ca -0.00 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 1wpg h ILE 743 Cb 0.01 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1wpg h ILE 743 CO 0.00 0.30 0.15 0.58 0.00 0.00 0.00 178.15 179.18 1wpg h VAL 744 N 0.75 1.26 -0.51 1.67 2.07 -1.46 -0.64 116.25 119.40 1wpg h VAL 744 Ca 0.17 -0.99 -0.10 0.00 0.82 0.00 0.00 66.70 66.60 1wpg h VAL 744 Cb 0.29 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1wpg h VAL 744 CO -0.00 0.38 -0.09 0.00 0.02 0.00 0.00 177.57 177.87 1wpg h ALA 745 N 1.11 0.88 -0.33 1.67 0.00 -1.10 -1.57 119.26 119.92 1wpg h ALA 745 Ca 0.21 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1wpg h ALA 745 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1wpg h ALA 745 CO 0.01 0.64 -0.21 0.00 0.00 0.00 0.00 179.25 179.68 1wpg h ALA 746 N 1.06 1.01 -0.38 0.00 0.00 -0.44 -0.34 119.26 120.17 1wpg h ALA 746 Ca 0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1wpg h ALA 746 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wpg h ALA 746 CO 0.04 0.59 0.06 0.28 0.00 0.00 0.00 179.25 180.22 1wpg h VAL 747 N 0.56 1.24 -0.40 0.00 2.07 -0.82 0.17 116.25 119.07 1wpg h VAL 747 Ca 0.08 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1wpg h VAL 747 Cb 0.67 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1wpg h VAL 747 CO 0.05 0.29 0.24 -0.08 0.02 0.00 0.00 177.57 178.09 1wpg h GLU 748 N 0.47 0.55 -0.36 1.57 4.81 -1.03 -0.65 114.58 119.94 1wpg h GLU 748 Ca 0.11 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1wpg h GLU 748 Cb 0.37 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1wpg h GLU 748 CO 0.01 0.42 0.11 1.49 -0.73 0.00 0.00 179.01 180.30 1wpg h GLU 749 N 0.53 0.24 -0.89 1.92 4.57 -0.83 0.50 114.58 120.61 1wpg h GLU 749 Ca 0.14 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.35 1wpg h GLU 749 Cb 0.01 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 1wpg h GLU 749 CO -0.03 0.16 0.58 0.78 -1.18 0.00 0.00 179.01 179.33 1wpg h GLY 750 N 0.25 1.28 1.39 1.92 0.00 -0.33 0.26 103.07 107.84 1wpg h GLY 750 Ca 0.17 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 46.87 1wpg h GLY 750 CO -0.19 0.37 -0.70 3.21 0.00 0.00 0.00 176.54 179.23 1wpg h ARG 751 N 1.10 0.61 -0.33 4.80 3.08 -0.30 -2.01 114.38 121.32 1wpg h ARG 751 Ca 0.36 -0.47 -0.14 0.00 0.07 0.00 0.00 59.98 59.81 1wpg h ARG 751 Cb 0.05 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1wpg h ARG 751 CO -0.11 1.09 -0.33 0.00 -1.07 0.00 0.00 179.97 179.55 1wpg h ALA 752 N 0.79 0.49 -0.51 0.04 0.00 -0.40 -2.41 119.26 117.27 1wpg h ALA 752 Ca -0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1wpg h ALA 752 Cb 1.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1wpg h ALA 752 CO 0.13 0.54 0.19 0.82 0.00 0.00 0.00 179.25 180.93 1wpg h ILE 753 N 0.59 1.22 -0.41 0.00 1.08 -0.51 -2.94 117.51 116.54 1wpg h ILE 753 Ca 0.05 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 63.81 1wpg h ILE 753 Cb 0.91 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 1wpg h ILE 753 CO 0.08 0.26 0.23 0.22 -0.69 0.00 0.00 178.15 178.26 1wpg h TYR 754 N 0.68 0.55 -0.77 1.37 3.20 -1.29 -0.63 116.97 120.08 1wpg h TYR 754 Ca 0.17 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.12 1wpg h TYR 754 Cb 0.23 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 1wpg h TYR 754 CO 0.01 0.41 0.51 -0.91 -1.64 0.00 0.00 178.16 176.53 1wpg h ASN 755 N 0.53 0.63 0.00 -2.11 2.35 -1.33 0.37 115.58 116.02 1wpg h ASN 755 Ca 0.14 0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 55.73 1wpg h ASN 755 Cb 0.03 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.30 1wpg h ASN 755 CO -0.02 0.38 -0.72 0.78 -1.65 0.00 0.00 177.43 176.20 1wpg h ASN 756 N 0.71 0.62 -0.99 5.81 4.21 -1.29 -3.08 115.58 121.57 1wpg h ASN 756 Ca 0.36 -0.76 0.02 0.00 1.21 0.00 0.00 56.30 57.12 1wpg h ASN 756 Cb 0.44 -0.19 -0.05 0.00 -1.12 0.00 0.00 38.32 37.40 1wpg h ASN 756 CO -0.13 1.30 0.65 0.24 -1.29 0.00 0.00 177.43 178.20 1wpg h MET 757 N 0.01 1.27 0.00 0.81 2.86 -0.28 0.85 114.93 120.46 1wpg h MET 757 Ca -0.09 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1wpg h MET 757 Cb 1.42 -0.29 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 1wpg h MET 757 CO 0.14 0.84 -0.01 -0.22 1.06 0.00 0.00 176.91 178.73 1wpg h LYS 758 N 1.31 0.00 0.00 1.72 3.64 -0.32 -1.50 116.57 121.42 1wpg h LYS 758 Ca 0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1wpg h LYS 758 Cb -0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1wpg h LYS 758 CO -0.09 0.01 -0.35 1.96 -2.27 0.00 0.00 179.45 178.70 1wpg h GLN 759 N 0.00 0.00 0.00 1.90 1.08 -0.76 -3.22 115.11 114.10 1wpg h GLN 759 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1wpg h GLN 759 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1wpg h GLN 759 CO 0.00 0.00 0.00 1.97 -0.95 0.00 0.00 178.83 179.85 1wpg n PHE 760 N -4.65 0.58 0.14 2.96 1.16 -0.76 -0.58 117.46 116.30 1wpg n PHE 760 Ca -0.05 0.28 -0.24 0.00 -1.87 0.00 0.00 57.45 55.56 1wpg n PHE 760 Cb 0.18 -0.94 -0.16 0.00 -1.61 0.00 0.00 39.48 36.95 1wpg n PHE 760 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 1wpg h ILE 761 N 0.00 1.23 -0.37 1.97 2.04 -1.43 -1.88 117.51 119.07 1wpg h ILE 761 Ca 0.00 -2.68 -0.10 0.00 1.00 0.00 0.00 64.86 63.08 1wpg h ILE 761 Cb 0.11 3.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1wpg h ILE 761 CO 0.00 0.82 -0.15 0.03 0.00 0.00 0.00 178.15 178.85 1wpg h ARG 762 N 0.14 0.75 0.13 2.37 3.08 -1.05 -1.10 114.38 118.70 1wpg h ARG 762 Ca -0.27 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.47 1wpg h ARG 762 Cb 2.16 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 32.17 1wpg h ARG 762 CO 0.26 0.92 -0.15 -0.92 -1.07 0.00 0.00 179.97 179.01 1wpg h TYR 763 N 0.54 -0.39 0.10 3.04 3.20 -0.89 0.18 116.97 122.75 1wpg h TYR 763 Ca 0.09 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1wpg h TYR 763 Cb 0.68 0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1wpg h TYR 763 CO 0.06 -0.23 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.23 1wpg h LEU 764 N -0.32 -0.11 -1.28 2.82 3.38 -1.31 -2.41 115.31 116.08 1wpg h LEU 764 Ca 0.01 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1wpg h LEU 764 Cb 0.31 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1wpg h LEU 764 CO -0.05 0.05 -0.12 0.40 0.09 0.00 0.00 178.44 178.81 1wpg h ILE 765 N -0.27 1.20 -0.76 1.22 2.04 -1.16 -1.93 117.51 117.85 1wpg h ILE 765 Ca -0.01 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 1wpg h ILE 765 Cb 0.22 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1wpg h ILE 765 CO 0.02 0.28 0.42 -1.28 0.00 0.00 0.00 178.15 177.58 1wpg h SER 766 N 0.32 0.95 -0.45 1.72 0.87 -0.52 -2.38 113.55 114.06 1wpg h SER 766 Ca 0.06 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1wpg h SER 766 Cb 0.41 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1wpg h SER 766 CO 0.02 0.78 0.30 -1.28 -0.53 0.00 0.00 176.83 176.12 1wpg h SER 767 N 1.05 0.52 0.16 6.23 0.87 -0.85 -2.01 113.55 119.52 1wpg h SER 767 Ca 0.27 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1wpg h SER 767 Cb 0.04 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1wpg h SER 767 CO -0.04 0.37 -0.07 0.78 -0.53 0.00 0.00 176.83 177.34 1wpg h ASN 768 N 0.61 0.00 -0.15 6.23 4.21 -1.00 -2.16 115.58 123.32 1wpg h ASN 768 Ca 0.17 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.66 1wpg h ASN 768 Cb -0.07 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 1wpg h ASN 768 CO -0.04 0.07 0.02 0.58 -1.29 0.00 0.00 177.43 176.77 1wpg h VAL 769 N 0.00 1.23 -0.51 2.81 2.07 -0.88 -2.08 116.25 118.90 1wpg h VAL 769 Ca -0.00 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1wpg h VAL 769 Cb 0.18 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1wpg h VAL 769 CO 0.01 0.22 0.26 1.23 0.02 0.00 0.00 177.57 179.31 1wpg h GLY 770 N 0.02 0.77 0.94 2.17 0.00 -1.33 -1.68 103.07 103.96 1wpg h GLY 770 Ca 0.04 -0.37 0.08 0.00 0.00 0.00 0.00 47.33 47.09 1wpg h GLY 770 CO 0.00 0.35 0.50 0.83 0.00 0.00 0.00 176.54 178.22 1wpg h GLU 771 N 0.67 0.72 -0.02 4.80 5.08 -1.30 0.12 114.58 124.65 1wpg h GLU 771 Ca 0.18 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.28 1wpg h GLU 771 Cb 0.09 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1wpg h GLU 771 CO -0.02 0.47 -0.89 0.28 -1.00 0.00 0.00 179.01 177.84 1wpg h VAL 772 N 0.74 1.41 -0.39 3.13 2.07 -1.04 -2.63 116.25 119.53 1wpg h VAL 772 Ca 0.34 -2.41 -0.02 0.00 0.82 0.00 0.00 66.70 65.43 1wpg h VAL 772 Cb 0.36 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1wpg h VAL 772 CO -0.12 0.72 0.17 0.58 0.02 0.00 0.00 177.57 178.93 1wpg h VAL 773 N 0.23 1.19 0.40 2.57 2.07 -0.28 -1.23 116.25 121.20 1wpg h VAL 773 Ca -0.07 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1wpg h VAL 773 Cb 1.52 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1wpg h VAL 773 CO 0.15 0.21 -0.40 0.00 0.02 0.00 0.00 177.57 177.55 1wpg h ILE 775 N -0.82 0.72 -0.03 0.00 1.08 -1.35 0.10 117.51 117.21 1wpg h ILE 775 Ca -0.03 -0.06 -0.24 0.00 -0.39 0.00 0.00 64.86 64.14 1wpg h ILE 775 Cb 0.73 0.54 0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1wpg h ILE 775 CO -0.06 0.03 -0.94 0.15 -0.69 0.00 0.00 178.15 176.64 1wpg h PHE 776 N 0.17 0.81 -0.11 1.37 3.57 -0.21 -3.19 116.94 119.35 1wpg h PHE 776 Ca 0.34 -0.42 -0.13 0.00 3.53 0.00 0.00 57.97 61.29 1wpg h PHE 776 Cb 1.09 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1wpg h PHE 776 CO -0.00 1.24 -0.43 -0.07 -2.23 0.00 0.00 178.31 176.82 1wpg h LEU 777 N 0.33 0.57 -1.80 0.59 3.38 0.35 -1.56 115.31 117.17 1wpg h LEU 777 Ca -0.09 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1wpg h LEU 777 Cb 1.57 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1wpg h LEU 777 CO 0.17 1.10 0.00 1.07 0.09 0.00 0.00 178.44 180.88 1wpg n THR 778 N -4.29 0.75 0.00 0.22 5.66 0.22 -1.89 114.28 114.96 1wpg n THR 778 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1wpg n THR 778 Cb 0.56 -0.87 0.00 0.00 -1.55 0.00 0.00 70.33 68.47 1wpg n THR 778 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wpg n ALA 779 N 0.43 1.81 0.12 1.79 0.00 -1.18 -4.44 120.51 119.05 1wpg n ALA 779 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1wpg n ALA 779 Cb 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.72 1wpg n ALA 779 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpg h ALA 780 N 0.00 -0.14 -0.00 0.00 0.00 -1.22 -3.22 119.26 114.69 1wpg h ALA 780 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1wpg h ALA 780 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wpg h ALA 780 CO 0.00 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.16 1wpg n LEU 781 N -3.81 0.01 -0.87 0.00 4.32 -0.79 -4.87 117.00 110.99 1wpg n LEU 781 Ca -0.16 -0.01 -0.10 0.00 -0.02 0.00 0.00 56.01 55.72 1wpg n LEU 781 Cb 1.04 -0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.80 1wpg n LEU 781 CO 0.58 0.00 -0.10 0.61 -1.22 0.00 0.00 177.39 177.27 1wpg n GLY 782 N 0.66 0.99 3.77 -0.72 0.00 -1.22 -4.68 105.19 103.99 1wpg n GLY 782 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1wpg n GLY 782 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wpg s LEU 783 N -2.52 2.31 0.43 0.99 1.43 -1.26 -4.57 118.68 115.49 1wpg s LEU 783 Ca 0.00 1.28 -0.22 0.00 -1.03 0.00 0.00 54.13 54.16 1wpg s LEU 783 Cb 0.00 -3.75 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 1wpg s LEU 783 CO 0.00 -2.37 0.99 -2.16 0.23 0.00 0.00 176.35 173.04 1wpg s PRO 784 N -5.10 4.12 -0.47 1.29 0.04 -1.26 -4.61 135.00 129.00 1wpg s PRO 784 Ca 0.62 1.26 -0.45 0.00 0.04 0.00 0.00 61.00 62.48 1wpg s PRO 784 Cb -0.16 -2.25 -0.19 0.00 0.04 0.00 0.00 34.50 31.95 1wpg s PRO 784 CO 0.55 -0.14 1.88 0.39 0.04 0.00 0.00 177.00 179.72 1wpg n GLU 785 N -0.57 0.15 0.00 4.56 -0.58 -1.26 -4.84 120.64 118.10 1wpg n GLU 785 Ca 0.07 0.05 -0.10 0.00 -0.42 0.00 0.00 57.16 56.76 1wpg n GLU 785 Cb 0.53 -1.60 -0.14 0.00 -0.57 0.00 0.00 31.44 29.66 1wpg n GLU 785 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wpg h ALA 786 N 7.31 0.64 -3.01 0.62 0.00 -1.91 -3.45 119.26 119.47 1wpg h ALA 786 Ca -0.29 -1.35 -0.16 0.00 0.00 0.00 0.00 54.91 53.12 1wpg h ALA 786 Cb 1.38 0.40 -0.24 0.00 0.00 0.00 0.00 17.79 19.33 1wpg h ALA 786 CO 1.03 1.48 -0.41 -0.51 0.00 0.00 0.00 179.25 180.83 1wpg s LEU 787 N -6.35 1.08 0.23 0.00 1.43 -1.26 -4.50 118.68 109.31 1wpg s LEU 787 Ca -0.06 0.37 0.10 0.00 -1.03 0.00 0.00 54.13 53.51 1wpg s LEU 787 Cb 0.08 0.89 -0.04 0.00 0.03 0.00 0.00 46.19 47.14 1wpg s LEU 787 CO 0.82 -0.16 -0.11 0.27 0.23 0.00 0.00 176.35 177.40 1wpg s ILE 788 N -0.22 3.01 0.36 -0.59 -4.36 -1.26 -5.00 121.20 113.13 1wpg s ILE 788 Ca -0.03 -1.94 0.15 0.00 -0.26 0.00 0.00 60.65 58.57 1wpg s ILE 788 Cb -0.03 -2.54 0.36 0.00 1.25 0.00 0.00 42.46 41.50 1wpg s ILE 788 CO 0.01 -0.25 1.72 1.55 0.24 0.00 0.00 174.94 178.21 1wpg h PRO 789 N 2.52 0.42 -0.34 0.37 0.13 -1.94 0.18 132.00 133.35 1wpg h PRO 789 Ca -0.45 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1wpg h PRO 789 Cb 1.23 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1wpg h PRO 789 CO 0.56 0.28 0.05 0.28 -0.23 0.00 0.00 178.00 178.94 1wpg h VAL 790 N 0.43 1.17 -0.05 1.56 2.07 -1.96 -1.54 116.25 117.94 1wpg h VAL 790 Ca 0.66 -0.64 -0.23 0.00 0.82 0.00 0.00 66.70 67.31 1wpg h VAL 790 Cb 1.51 0.86 0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1wpg h VAL 790 CO -0.43 0.23 -0.87 1.56 0.02 0.00 0.00 177.57 178.07 1wpg h GLN 791 N 0.49 0.68 -0.20 1.57 4.20 -0.99 -3.26 115.11 117.60 1wpg h GLN 791 Ca 0.11 -0.66 -0.01 0.00 0.06 0.00 0.00 58.65 58.15 1wpg h GLN 791 Cb 0.24 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1wpg h GLN 791 CO 0.00 1.26 0.08 -0.07 -0.67 0.00 0.00 178.83 179.43 1wpg h LEU 792 N 0.35 0.27 -1.04 1.46 3.38 -1.00 -2.89 115.31 115.84 1wpg h LEU 792 Ca -0.10 -0.16 0.12 0.00 0.09 0.00 0.00 57.88 57.83 1wpg h LEU 792 Cb 1.53 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 42.13 1wpg h LEU 792 CO 0.17 0.36 0.63 -0.07 0.09 0.00 0.00 178.44 179.62 1wpg h LEU 793 N 0.16 0.91 -1.00 1.67 3.38 -1.40 -0.08 115.31 118.95 1wpg h LEU 793 Ca 0.07 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1wpg h LEU 793 Cb 0.17 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1wpg h LEU 793 CO -0.01 0.48 -0.07 -0.25 0.09 0.00 0.00 178.44 178.69 1wpg h TRP 794 N 0.97 0.68 -0.11 1.13 2.91 -1.57 -0.88 115.95 119.09 1wpg h TRP 794 Ca 0.49 -0.10 -0.05 0.00 1.13 0.00 0.00 58.89 60.35 1wpg h TRP 794 Cb 0.50 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 28.96 1wpg h TRP 794 CO -0.00 0.69 -0.14 0.28 -1.03 0.00 0.00 178.44 178.23 1wpg h VAL 795 N 0.59 1.37 0.00 2.65 2.07 -0.91 -0.24 116.25 121.78 1wpg h VAL 795 Ca 0.11 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1wpg h VAL 795 Cb 0.48 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1wpg h VAL 795 CO 0.03 0.39 0.00 0.59 0.02 0.00 0.00 177.57 178.59 1wpg n ASN 796 N -4.58 0.00 -0.01 0.57 3.02 -0.21 0.10 115.26 114.15 1wpg n ASN 796 Ca -0.07 -1.06 -0.01 0.00 -0.03 0.00 0.00 54.58 53.41 1wpg n ASN 796 Cb 0.37 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.53 1wpg n ASN 796 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1wpg n LEU 797 N -0.96 2.93 0.03 3.41 4.32 -0.35 -2.47 117.00 123.91 1wpg n LEU 797 Ca 0.22 -0.01 -0.01 0.00 -0.02 0.00 0.00 56.01 56.18 1wpg n LEU 797 Cb 0.10 -0.06 -0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1wpg n LEU 797 CO 0.16 0.52 -0.15 0.52 -1.22 0.00 0.00 177.39 177.22 1wpg n VAL 798 N -2.54 1.13 -0.22 4.08 0.31 -0.18 -3.99 118.33 116.92 1wpg n VAL 798 Ca -0.03 0.32 -0.04 0.00 -0.01 0.00 0.00 64.34 64.59 1wpg n VAL 798 Cb 0.53 -1.67 0.03 0.00 -0.91 0.00 0.00 33.84 31.82 1wpg n VAL 798 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1wpg h THR 799 N -0.12 0.19 0.00 2.52 2.02 -1.30 -2.27 112.91 113.95 1wpg h THR 799 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1wpg h THR 799 Cb 0.25 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1wpg h THR 799 CO -0.01 0.00 -1.69 0.47 0.37 0.00 0.00 175.52 174.66 1wpg n ASP 800 N -5.45 0.26 -0.14 4.18 8.00 0.11 -4.35 116.55 119.16 1wpg n ASP 800 Ca 0.06 0.01 -0.04 0.00 0.71 0.00 0.00 54.79 55.53 1wpg n ASP 800 Cb 0.36 1.56 0.05 0.00 -0.02 0.00 0.00 41.12 43.07 1wpg n ASP 800 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1wpg h GLY 801 N 4.08 0.58 0.78 0.44 0.00 -1.55 -0.42 103.07 106.98 1wpg h GLY 801 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1wpg h GLY 801 CO 0.00 -0.02 -0.19 1.41 0.00 0.00 0.00 176.54 177.74 1wpg h LEU 802 N 0.28 -0.44 -1.41 3.11 -0.00 -1.67 -2.41 115.31 112.76 1wpg h LEU 802 Ca 0.22 -0.10 0.17 0.00 -0.00 0.00 0.00 57.88 58.17 1wpg h LEU 802 Cb 0.26 0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 40.97 1wpg h LEU 802 CO -0.26 -0.14 0.57 -0.65 -0.00 0.00 0.00 178.44 177.95 1wpg h PRO 803 N -0.75 0.52 -0.06 1.13 0.11 -1.72 -0.43 132.00 130.82 1wpg h PRO 803 Ca -0.05 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1wpg h PRO 803 Cb 0.51 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 1wpg h PRO 803 CO 0.09 0.35 0.02 0.00 -0.21 0.00 0.00 178.00 178.24 1wpg h ALA 804 N 1.62 0.07 -0.91 -0.75 0.00 -0.98 -1.89 119.26 116.41 1wpg h ALA 804 Ca 0.44 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1wpg h ALA 804 Cb 0.90 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1wpg h ALA 804 CO -0.18 -0.31 0.60 1.15 0.00 0.00 0.00 179.25 180.50 1wpg h THR 805 N -0.11 1.12 0.00 0.00 2.02 -0.67 -1.11 112.91 114.16 1wpg h THR 805 Ca 0.02 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 1wpg h THR 805 Cb 0.22 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1wpg h THR 805 CO -0.00 0.20 -0.28 0.00 0.37 0.00 0.00 175.52 175.81 1wpg h ALA 806 N 1.48 1.30 0.00 6.16 0.00 -0.89 -2.28 119.26 125.03 1wpg h ALA 806 Ca 0.37 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1wpg h ALA 806 Cb 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wpg h ALA 806 CO -0.12 0.36 -0.41 -0.07 0.00 0.00 0.00 179.25 179.01 1wpg h LEU 807 N 0.00 0.00 0.00 0.00 3.38 -0.38 -1.80 115.31 116.51 1wpg h LEU 807 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wpg h LEU 807 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1wpg h LEU 807 CO 0.04 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.58 1wpg n GLY 808 N -0.17 -0.47 0.67 0.83 0.00 -0.86 -1.58 105.19 103.60 1wpg n GLY 808 Ca -0.01 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1wpg n GLY 808 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wpg n PHE 809 N -0.93 0.42 -1.80 1.61 3.72 -0.68 -4.93 117.46 114.87 1wpg n PHE 809 Ca 0.10 -0.41 -0.39 0.00 -0.05 0.00 0.00 57.45 56.69 1wpg n PHE 809 Cb 0.04 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.59 1wpg n PHE 809 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1wpg s ASN 810 N -1.00 5.76 0.19 4.37 0.01 -0.62 -4.92 114.94 118.73 1wpg s ASN 810 Ca 0.24 2.88 -0.31 0.00 -0.71 0.00 0.00 52.86 54.96 1wpg s ASN 810 Cb 0.13 -2.65 -0.09 0.00 0.41 0.00 0.00 41.25 39.05 1wpg s ASN 810 CO 0.17 -1.25 1.43 -2.16 -1.51 0.00 0.00 177.10 173.79 1wpg s PRO 811 N -2.54 4.29 0.69 -0.60 0.04 -1.26 -4.96 135.00 130.66 1wpg s PRO 811 Ca 0.63 2.22 -0.14 0.00 0.04 0.00 0.00 61.00 63.75 1wpg s PRO 811 Cb -0.43 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 30.96 1wpg s PRO 811 CO 0.54 -0.44 1.11 -1.25 0.04 0.00 0.00 177.00 177.00 1wpg s PRO 812 N 0.37 2.63 1.21 0.56 0.04 -1.26 -5.03 135.00 133.51 1wpg s PRO 812 Ca 0.63 1.35 -0.18 0.00 0.04 0.00 0.00 61.00 62.83 1wpg s PRO 812 Cb -0.40 -1.93 0.29 0.00 0.04 0.00 0.00 34.50 32.49 1wpg s PRO 812 CO 0.36 -1.38 1.07 -0.51 0.04 0.00 0.00 177.00 176.58 1wpg s ASP 813 N -2.77 0.81 -0.19 6.66 1.01 -1.26 -5.00 116.67 115.93 1wpg s ASP 813 Ca 0.66 0.83 -0.03 0.00 0.71 0.00 0.00 52.55 54.72 1wpg s ASP 813 Cb -0.20 -1.22 -0.22 0.00 1.01 0.00 0.00 42.92 42.30 1wpg s ASP 813 CO 0.45 -4.21 0.09 0.18 0.21 0.00 0.00 175.17 171.89 1wpg n LEU 814 N -4.85 2.79 -0.96 1.23 4.32 -1.26 -4.26 117.00 114.01 1wpg n LEU 814 Ca 0.11 0.05 0.02 0.00 -0.02 0.00 0.00 56.01 56.17 1wpg n LEU 814 Cb 0.59 -1.02 0.13 0.00 -1.62 0.00 0.00 43.42 41.50 1wpg n LEU 814 CO 0.48 0.89 0.46 -0.90 -1.22 0.00 0.00 177.39 177.09 1wpg n ASP 815 N -3.39 2.57 -0.27 -1.43 5.75 -1.26 -4.42 116.55 114.11 1wpg n ASP 815 Ca -0.39 -2.31 -0.00 0.00 -0.01 0.00 0.00 54.79 52.08 1wpg n ASP 815 Cb 1.02 -0.56 0.12 0.00 -1.03 0.00 0.00 41.12 40.66 1wpg n ASP 815 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1wpg h ILE 816 N 1.32 0.99 -0.01 2.12 2.10 -1.97 -1.46 117.51 120.60 1wpg h ILE 816 Ca 0.00 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.67 1wpg h ILE 816 Cb 0.99 0.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 1wpg h ILE 816 CO 0.16 0.15 -0.09 0.23 -1.08 0.00 0.00 178.15 177.52 1wpg n MET 817 N -4.72 1.40 -0.17 2.19 2.81 -1.26 -3.65 117.12 113.71 1wpg n MET 817 Ca 0.10 -0.82 0.12 0.00 -1.81 0.00 0.00 57.70 55.28 1wpg n MET 817 Cb 0.18 -1.48 0.24 0.00 -0.71 0.00 0.00 33.22 31.45 1wpg n MET 817 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1wpg n ASP 818 N -0.08 3.13 -4.59 7.83 9.92 -0.57 -3.68 116.55 128.51 1wpg n ASP 818 Ca 0.17 -1.95 -0.25 0.00 -0.53 0.00 0.00 54.79 52.23 1wpg n ASP 818 Cb 0.36 -0.22 -0.09 0.00 -0.64 0.00 0.00 41.12 40.53 1wpg n ASP 818 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1wpg s ARG 819 N -1.55 2.11 0.84 -1.24 3.52 -1.08 -4.89 118.95 116.66 1wpg s ARG 819 Ca 0.37 -1.35 -0.11 0.00 -0.13 0.00 0.00 55.73 54.51 1wpg s ARG 819 Cb 0.22 -2.13 0.09 0.00 -1.56 0.00 0.00 34.95 31.57 1wpg s ARG 819 CO 0.31 0.40 1.09 -1.25 -0.81 0.00 0.00 175.30 175.04 1wpg s PRO 820 N -3.16 1.73 0.39 5.12 0.04 -1.26 -4.49 135.00 133.37 1wpg s PRO 820 Ca 0.27 0.78 -0.28 0.00 0.04 0.00 0.00 61.00 61.82 1wpg s PRO 820 Cb -0.08 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 1wpg s PRO 820 CO 0.17 -1.90 1.48 -2.30 0.04 0.00 0.00 177.00 174.48 1wpg n PRO 821 N -3.65 2.60 -2.61 0.56 -0.02 -1.23 -4.97 135.00 125.68 1wpg n PRO 821 Ca 0.07 0.91 -0.35 0.00 -2.02 0.00 0.00 63.50 62.11 1wpg n PRO 821 Cb 0.55 -2.66 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 1wpg n PRO 821 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1wpg s ARG 822 N -2.16 4.13 0.34 -0.52 1.70 -1.26 -4.99 118.95 116.19 1wpg s ARG 822 Ca 0.55 1.41 -0.29 0.00 -0.47 0.00 0.00 55.73 56.92 1wpg s ARG 822 Cb -0.47 -2.42 -0.11 0.00 -0.57 0.00 0.00 34.95 31.39 1wpg s ARG 822 CO 0.63 -0.15 1.42 0.45 -1.08 0.00 0.00 175.30 176.57 1wpg s SER 823 N -1.75 6.54 0.36 -2.89 0.15 -1.26 -4.90 113.70 109.96 1wpg s SER 823 Ca 0.60 2.86 0.07 0.00 0.70 0.00 0.00 55.95 60.17 1wpg s SER 823 Cb -0.19 -2.65 0.68 0.00 -1.71 0.00 0.00 66.02 62.15 1wpg s SER 823 CO 0.23 -0.73 1.89 -0.65 1.20 0.00 0.00 173.24 175.18 1wpg h PRO 824 N 3.55 0.39 -0.01 5.44 0.11 -1.92 -2.61 132.00 136.96 1wpg h PRO 824 Ca -0.49 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1wpg h PRO 824 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1wpg h PRO 824 CO 0.68 0.48 0.00 1.63 -0.21 0.00 0.00 178.00 180.57 1wpg n LYS 825 N -4.27 1.25 -1.68 1.05 4.76 -1.26 -4.82 118.16 113.18 1wpg n LYS 825 Ca 0.00 -0.36 -0.47 0.00 -2.87 0.00 0.00 58.31 54.61 1wpg n LYS 825 Cb 0.26 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.92 1wpg n LYS 825 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1wpg n GLU 826 N -0.55 2.32 -2.37 1.97 2.13 -0.98 -4.93 120.64 118.23 1wpg n GLU 826 Ca 0.22 0.85 -0.40 0.00 0.66 0.00 0.00 57.16 58.49 1wpg n GLU 826 Cb 0.20 -2.71 -0.04 0.00 0.27 0.00 0.00 31.44 29.16 1wpg n GLU 826 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1wpg s PRO 827 N 3.87 4.50 0.47 5.31 0.04 -1.26 -4.93 135.00 143.00 1wpg s PRO 827 Ca 0.91 1.91 0.14 0.00 0.04 0.00 0.00 61.00 64.00 1wpg s PRO 827 Cb -0.64 -3.10 1.09 0.00 0.04 0.00 0.00 34.50 31.90 1wpg s PRO 827 CO 0.48 0.06 2.05 -0.07 0.04 0.00 0.00 177.00 179.56 1wpg h LEU 828 N 3.56 0.03 -7.06 -3.56 3.38 -1.98 -3.42 115.31 106.26 1wpg h LEU 828 Ca -0.47 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 1wpg h LEU 828 Cb 1.22 -0.01 -0.23 0.00 0.09 0.00 0.00 40.66 41.73 1wpg h LEU 828 CO 0.66 0.13 -0.07 -0.51 0.09 0.00 0.00 178.44 178.74 1wpg s ILE 829 N -4.85 -0.01 0.05 1.22 2.07 -1.26 -5.02 121.20 113.41 1wpg s ILE 829 Ca -0.05 0.03 -0.27 0.00 -1.41 0.00 0.00 60.65 58.95 1wpg s ILE 829 Cb 0.16 -0.89 0.09 0.00 0.13 0.00 0.00 42.46 41.96 1wpg s ILE 829 CO 0.69 0.01 1.20 -0.94 -1.91 0.00 0.00 174.94 173.99 1wpg s SER 830 N 1.52 -0.01 1.76 4.50 1.04 -1.26 -4.81 113.70 116.44 1wpg s SER 830 Ca -0.09 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1wpg s SER 830 Cb -0.06 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1wpg s SER 830 CO -0.17 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1wpg n GLY 831 N -0.77 3.10 0.25 7.32 0.00 -1.26 -2.64 105.19 111.19 1wpg n GLY 831 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 1wpg n GLY 831 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1wpg h TRP 832 N 0.00 0.83 -0.64 1.61 2.91 -2.00 -2.12 115.95 116.54 1wpg h TRP 832 Ca 0.00 -0.04 0.09 0.00 1.13 0.00 0.00 58.89 60.07 1wpg h TRP 832 Cb 0.00 -0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 28.35 1wpg h TRP 832 CO 0.00 0.64 0.42 1.25 -1.03 0.00 0.00 178.44 179.72 1wpg h LEU 833 N 0.78 0.43 0.78 0.65 5.85 -1.92 0.90 115.31 122.78 1wpg h LEU 833 Ca 0.20 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1wpg h LEU 833 Cb 0.12 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1wpg h LEU 833 CO -0.02 0.26 -0.44 0.15 -0.34 0.00 0.00 178.44 178.04 1wpg h PHE 834 N 0.48 -1.18 -0.47 1.25 3.57 -1.34 0.86 116.94 120.11 1wpg h PHE 834 Ca 0.29 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.81 1wpg h PHE 834 Cb 0.50 0.41 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 1wpg h PHE 834 CO -0.00 -0.68 0.26 0.35 -2.23 0.00 0.00 178.31 176.01 1wpg h PHE 835 N -1.13 0.48 -0.87 0.41 3.57 -1.15 0.26 116.94 118.51 1wpg h PHE 835 Ca -0.11 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.57 1wpg h PHE 835 Cb 0.90 -0.15 -0.10 0.00 2.79 0.00 0.00 35.95 39.39 1wpg h PHE 835 CO -0.05 0.26 0.45 -0.09 -2.23 0.00 0.00 178.31 176.65 1wpg h ARG 836 N 0.51 0.60 -0.00 1.11 2.43 0.10 0.24 114.38 119.38 1wpg h ARG 836 Ca 0.20 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1wpg h ARG 836 Cb 0.06 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1wpg h ARG 836 CO -0.11 0.40 -0.40 0.66 -1.51 0.00 0.00 179.97 179.00 1wpg n TYR 837 N -4.87 0.00 0.09 2.20 0.53 0.28 -2.98 117.16 112.40 1wpg n TYR 837 Ca 0.18 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.98 1wpg n TYR 837 Cb 0.47 -0.29 -0.01 0.00 -1.03 0.00 0.00 39.34 38.48 1wpg n TYR 837 CO 0.00 0.00 0.00 1.98 -1.02 0.00 0.00 176.86 177.82 1wpg h MET 838 N 0.05 0.14 0.01 -0.72 4.05 0.28 -2.79 114.93 115.95 1wpg h MET 838 Ca 0.00 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.25 1wpg h MET 838 Cb 0.50 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1wpg h MET 838 CO 0.00 0.94 -0.00 0.00 0.23 0.00 0.00 176.91 178.07 1wpg h ALA 839 N 1.00 -0.01 -0.99 0.39 0.00 -1.18 -2.90 119.26 115.57 1wpg h ALA 839 Ca -0.04 -0.33 0.26 0.00 0.00 0.00 0.00 54.91 54.80 1wpg h ALA 839 Cb 1.53 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.25 1wpg h ALA 839 CO 0.13 -0.02 0.67 0.82 0.00 0.00 0.00 179.25 180.85 1wpg h ILE 840 N -0.99 0.56 0.12 0.00 1.08 -1.63 0.72 117.51 117.37 1wpg h ILE 840 Ca -0.00 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 1wpg h ILE 840 Cb 0.67 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1wpg h ILE 840 CO 0.00 0.05 -0.06 1.23 -0.69 0.00 0.00 178.15 178.69 1wpg h GLY 841 N 0.28 -0.16 0.31 5.37 0.00 -1.57 -2.52 103.07 104.78 1wpg h GLY 841 Ca 0.52 0.06 0.13 0.00 0.00 0.00 0.00 47.33 48.05 1wpg h GLY 841 CO -0.17 -0.06 0.48 -1.33 0.00 0.00 0.00 176.54 175.46 1wpg h GLY 842 N -0.64 1.41 0.86 4.60 0.00 -0.73 -0.62 103.07 107.95 1wpg h GLY 842 Ca -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1wpg h GLY 842 CO 0.03 0.02 -0.33 -1.82 0.00 0.00 0.00 176.54 174.44 1wpg h TYR 843 N 0.71 -0.86 -0.91 5.60 3.20 -0.99 -2.13 116.97 121.59 1wpg h TYR 843 Ca 0.46 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.44 1wpg h TYR 843 Cb 0.59 0.31 -0.07 0.00 1.54 0.00 0.00 36.73 39.09 1wpg h TYR 843 CO -0.07 -0.50 0.58 0.28 -1.64 0.00 0.00 178.16 176.82 1wpg h VAL 844 N -0.81 0.89 0.00 1.81 2.07 -0.95 0.28 116.25 119.54 1wpg h VAL 844 Ca -0.06 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1wpg h VAL 844 Cb 0.66 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1wpg h VAL 844 CO 0.06 0.15 -0.10 1.23 0.02 0.00 0.00 177.57 178.93 1wpg h GLY 845 N 0.81 0.00 0.34 2.17 0.00 -0.73 -2.46 103.07 103.20 1wpg h GLY 845 Ca 0.45 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.41 1wpg h GLY 845 CO -0.21 0.00 -2.20 0.00 0.00 0.00 0.00 176.54 174.13 1wpg n ALA 846 N -2.19 1.25 0.18 3.60 0.00 0.11 -3.62 120.51 119.83 1wpg n ALA 846 Ca -0.01 -0.90 0.04 0.00 0.00 0.00 0.00 53.44 52.57 1wpg n ALA 846 Cb 0.29 -0.41 0.46 0.00 0.00 0.00 0.00 19.45 19.78 1wpg n ALA 846 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpg h ALA 847 N 0.26 1.63 0.05 0.00 0.00 -0.50 0.26 119.26 120.97 1wpg h ALA 847 Ca -0.49 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 1wpg h ALA 847 Cb 2.01 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.75 1wpg h ALA 847 CO 0.01 0.28 -0.32 1.79 0.00 0.00 0.00 179.25 181.00 1wpg h THR 848 N 0.09 1.66 -0.53 0.00 1.35 -1.62 -2.43 112.91 111.43 1wpg h THR 848 Ca 0.02 -2.36 -0.10 0.00 -0.55 0.00 0.00 66.41 63.43 1wpg h THR 848 Cb 0.34 3.24 -0.02 0.00 -1.73 0.00 0.00 68.15 69.97 1wpg h THR 848 CO 0.02 0.64 -0.04 0.58 -0.25 0.00 0.00 175.52 176.47 1wpg h VAL 849 N -0.71 1.27 -0.62 6.82 2.07 -1.60 -2.68 116.25 120.80 1wpg h VAL 849 Ca -0.05 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 1wpg h VAL 849 Cb 1.23 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1wpg h VAL 849 CO 0.06 0.41 0.09 1.23 0.02 0.00 0.00 177.57 179.39 1wpg h GLY 850 N 0.84 1.09 2.00 2.17 0.00 -0.59 0.68 103.07 109.26 1wpg h GLY 850 Ca 0.15 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 1wpg h GLY 850 CO 0.04 0.66 -0.17 0.00 0.00 0.00 0.00 176.54 177.07 1wpg h ALA 851 N 1.14 1.46 0.08 3.60 0.00 -1.29 0.44 119.26 124.70 1wpg h ALA 851 Ca 0.19 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1wpg h ALA 851 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1wpg h ALA 851 CO 0.01 0.21 -0.82 0.00 0.00 0.00 0.00 179.25 178.64 1wpg h ALA 852 N 1.83 0.04 -0.30 0.00 0.00 -1.07 -3.28 119.26 116.48 1wpg h ALA 852 Ca -0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 54.91 54.07 1wpg h ALA 852 Cb 0.35 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1wpg h ALA 852 CO 0.02 0.44 0.05 0.00 0.00 0.00 0.00 179.25 179.76 1wpg h ALA 853 N -0.04 1.54 -0.29 0.00 0.00 -0.56 -2.70 119.26 117.20 1wpg h ALA 853 Ca -0.17 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1wpg h ALA 853 Cb 1.48 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1wpg h ALA 853 CO 0.05 0.34 0.06 2.35 0.00 0.00 0.00 179.25 182.06 1wpg h TRP 854 N 0.43 0.10 -0.48 0.00 7.01 -0.22 -2.08 115.95 120.72 1wpg h TRP 854 Ca 0.10 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 1wpg h TRP 854 Cb 0.20 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 1wpg h TRP 854 CO 0.01 0.03 0.16 2.35 -2.79 0.00 0.00 178.44 178.19 1wpg h TRP 855 N 0.17 0.70 0.00 2.65 7.01 -1.55 -0.78 115.95 124.16 1wpg h TRP 855 Ca 0.14 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.10 1wpg h TRP 855 Cb 0.14 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 26.99 1wpg h TRP 855 CO -0.17 0.57 0.00 1.19 -2.79 0.00 0.00 178.44 177.24 1wpg n PHE 856 N -4.33 0.00 0.10 2.65 0.99 -0.81 -4.12 117.46 111.93 1wpg n PHE 856 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 1wpg n PHE 856 Cb 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.66 1wpg n PHE 856 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1wpg n MET 857 N -0.64 0.00 -0.02 -1.08 2.81 -0.73 -0.89 117.12 116.57 1wpg n MET 857 Ca 0.07 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.08 1wpg n MET 857 Cb 0.03 0.00 0.19 0.00 -0.71 0.00 0.00 33.22 32.73 1wpg n MET 857 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1wpg n TYR 858 N -3.14 0.05 -1.71 2.03 4.02 -0.38 -3.96 117.16 114.08 1wpg n TYR 858 Ca 0.00 -0.03 -0.29 0.00 -0.01 0.00 0.00 57.90 57.57 1wpg n TYR 858 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.42 1wpg n TYR 858 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wpg s ALA 859 N -1.95 2.32 -0.68 -0.72 0.00 -1.00 -4.98 121.76 114.75 1wpg s ALA 859 Ca 0.31 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.82 1wpg s ALA 859 Cb 0.20 -3.03 0.37 0.00 0.00 0.00 0.00 23.12 20.67 1wpg s ALA 859 CO 0.31 -1.80 1.47 0.39 0.00 0.00 0.00 175.76 176.13 1wpg n GLU 860 N -3.44 3.52 0.00 0.00 1.02 -1.26 -4.25 120.64 116.23 1wpg n GLU 860 Ca 0.07 -4.31 0.00 0.00 -0.02 0.00 0.00 57.16 52.90 1wpg n GLU 860 Cb 0.59 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1wpg n GLU 860 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wpg n ASP 861 N -0.39 0.00 0.00 1.62 8.00 -1.26 -5.02 116.55 119.50 1wpg n ASP 861 Ca 0.43 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1wpg n ASP 861 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1wpg n ASP 861 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wpg n GLY 862 N 0.00 -1.28 3.49 0.44 0.00 -1.26 -5.13 105.19 101.44 1wpg n GLY 862 Ca 0.00 0.53 -0.39 0.00 0.00 0.00 0.00 46.02 46.16 1wpg n GLY 862 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wpg n PRO 863 N 0.00 0.63 -2.84 1.61 -0.02 -1.26 -4.44 135.00 128.67 1wpg n PRO 863 Ca 0.00 0.24 -0.08 0.00 -2.02 0.00 0.00 63.50 61.64 1wpg n PRO 863 Cb 0.00 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1wpg n PRO 863 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wpg n GLY 864 N 1.69 3.70 3.60 -1.23 0.00 -0.07 -4.84 105.19 108.04 1wpg n GLY 864 Ca 0.11 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 1wpg n GLY 864 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wpg s VAL 865 N -2.31 3.12 -2.00 1.61 1.01 -1.26 -4.74 120.40 115.83 1wpg s VAL 865 Ca 0.11 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.28 1wpg s VAL 865 Cb 0.01 -3.17 0.18 0.00 0.00 0.00 0.00 36.38 33.40 1wpg s VAL 865 CO 0.08 -0.11 0.84 0.35 0.00 0.00 0.00 175.10 176.26 1wpg n THR 866 N 7.69 0.00 -1.23 3.92 -2.24 -1.26 -2.35 114.28 118.82 1wpg n THR 866 Ca 0.28 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.01 1wpg n THR 866 Cb 0.46 -0.47 0.23 0.00 -2.10 0.00 0.00 70.33 68.45 1wpg n THR 866 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1wpg n TYR 867 N -0.71 1.69 -1.41 4.78 4.02 -1.26 -4.94 117.16 119.32 1wpg n TYR 867 Ca 0.05 -1.40 -0.14 0.00 -0.01 0.00 0.00 57.90 56.40 1wpg n TYR 867 Cb 0.02 -0.57 -0.06 0.00 -0.02 0.00 0.00 39.34 38.71 1wpg n TYR 867 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1wpg n HIS 868 N -0.79 -0.00 1.41 -0.72 -0.00 -0.99 -4.80 115.22 109.33 1wpg n HIS 868 Ca 0.37 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.61 1wpg n HIS 868 Cb 1.19 -3.02 0.37 0.00 -0.12 0.00 0.00 29.99 28.42 1wpg n HIS 868 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1wpg n GLN 869 N -1.30 0.71 0.12 1.57 1.13 -1.25 -2.61 117.38 115.74 1wpg n GLN 869 Ca -0.14 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.02 1wpg n GLN 869 Cb 0.63 -1.28 0.47 0.00 0.11 0.00 0.00 30.24 30.17 1wpg n GLN 869 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1wpg n LEU 870 N -0.78 0.51 0.03 1.08 7.94 -1.26 -1.87 117.00 122.65 1wpg n LEU 870 Ca 0.09 0.68 -0.04 0.00 -1.11 0.00 0.00 56.01 55.64 1wpg n LEU 870 Cb 0.04 -0.67 0.20 0.00 0.53 0.00 0.00 43.42 43.52 1wpg n LEU 870 CO 0.07 -0.70 0.70 0.74 -1.11 0.00 0.00 177.39 177.10 1wpg h THR 871 N 0.00 1.28 -0.59 1.96 2.02 -1.74 -2.92 112.91 112.90 1wpg h THR 871 Ca 0.00 -1.34 -0.21 0.00 0.77 0.00 0.00 66.41 65.63 1wpg h THR 871 Cb 0.17 1.43 -0.13 0.00 -1.74 0.00 0.00 68.15 67.88 1wpg h THR 871 CO 0.00 0.42 0.27 1.41 0.37 0.00 0.00 175.52 177.99 1wpg n HIS 872 N -4.10 1.94 0.21 3.16 8.25 -0.78 -4.46 115.22 119.44 1wpg n HIS 872 Ca -0.01 -1.06 0.17 0.00 -0.26 0.00 0.00 57.72 56.56 1wpg n HIS 872 Cb 0.43 -0.60 0.84 0.00 1.12 0.00 0.00 29.99 31.77 1wpg n HIS 872 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1wpg h PHE 873 N 1.72 0.00 -0.78 4.41 -5.15 -1.65 -1.01 116.94 114.47 1wpg h PHE 873 Ca 0.26 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 58.05 1wpg h PHE 873 Cb 2.03 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 38.16 1wpg h PHE 873 CO 1.01 0.00 0.52 0.52 -2.00 0.00 0.00 178.31 178.36 1wpg h MET 874 N 0.00 0.98 -2.35 6.09 2.86 -1.87 -3.04 114.93 117.60 1wpg h MET 874 Ca 0.08 -0.06 -0.60 0.00 -2.06 0.00 0.00 59.70 57.07 1wpg h MET 874 Cb 0.50 -0.22 -0.13 0.00 0.06 0.00 0.00 31.60 31.81 1wpg h MET 874 CO -0.00 0.65 1.49 1.04 1.06 0.00 0.00 176.91 181.15 1wpg n GLN 875 N -4.43 3.48 -0.09 1.72 6.02 -0.38 -4.24 117.38 119.45 1wpg n GLN 875 Ca 0.09 -2.76 -0.13 0.00 -0.01 0.00 0.00 57.00 54.20 1wpg n GLN 875 Cb 0.07 -2.40 -0.09 0.00 1.02 0.00 0.00 30.24 28.84 1wpg n GLN 875 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wpg h THR 877 N 0.00 1.26 -0.02 0.00 2.02 -1.85 -2.67 112.91 111.64 1wpg h THR 877 Ca -0.42 -2.94 -0.01 0.00 0.77 0.00 0.00 66.41 63.81 1wpg h THR 877 Cb 1.66 2.60 -0.00 0.00 -1.74 0.00 0.00 68.15 70.67 1wpg h THR 877 CO -0.06 0.72 -0.03 -0.08 0.37 0.00 0.00 175.52 176.44 1wpg h GLU 878 N 0.00 0.06 -2.47 6.66 4.57 -1.82 -3.39 114.58 118.19 1wpg h GLU 878 Ca -0.10 -0.03 -0.59 0.00 -1.18 0.00 0.00 59.36 57.46 1wpg h GLU 878 Cb 1.77 0.00 -0.39 0.00 -0.16 0.00 0.00 28.75 29.97 1wpg h GLU 878 CO 0.10 0.54 -0.90 -0.25 -1.18 0.00 0.00 179.01 177.31 1wpg n ASP 879 N -4.80 0.30 0.12 1.04 8.00 -1.26 -5.00 116.55 114.95 1wpg n ASP 879 Ca -0.08 -2.57 -0.13 0.00 0.71 0.00 0.00 54.79 52.72 1wpg n ASP 879 Cb 0.27 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 40.71 1wpg n ASP 879 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1wpg h HIS 880 N 5.44 -0.30 0.00 1.24 -0.00 -1.69 -2.57 115.15 117.28 1wpg h HIS 880 Ca 0.23 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1wpg h HIS 880 Cb 0.87 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 28.39 1wpg h HIS 880 CO 0.36 -0.18 0.00 -0.35 -0.00 0.00 0.00 177.93 177.76 1wpg n PRO 881 N -5.23 0.10 0.00 5.26 -0.04 -1.26 -3.45 135.00 130.38 1wpg n PRO 881 Ca -0.08 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1wpg n PRO 881 Cb 0.15 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1wpg n PRO 881 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1wpg n HIS 882 N -1.13 0.00 -2.68 0.54 8.25 -0.97 -4.62 115.22 114.60 1wpg n HIS 882 Ca 0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.41 1wpg n HIS 882 Cb 0.02 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.17 1wpg n HIS 882 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1wpg n PHE 883 N 0.00 1.02 0.00 4.41 3.01 -1.26 -5.01 117.46 119.64 1wpg n PHE 883 Ca 0.00 -2.67 0.00 0.00 1.01 0.00 0.00 57.45 55.79 1wpg n PHE 883 Cb 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.19 1wpg n PHE 883 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1wpg n GLU 884 N -0.16 0.00 -0.43 -1.08 -0.58 -1.22 -4.99 120.64 112.18 1wpg n GLU 884 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1wpg n GLU 884 Cb 0.82 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.69 1wpg n GLU 884 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wpg n GLY 885 N 4.46 0.94 3.75 0.62 0.00 -1.26 -5.07 105.19 108.62 1wpg n GLY 885 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1wpg n GLY 885 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wpg s LEU 886 N 0.00 0.07 0.38 0.99 2.34 -1.26 -5.14 118.68 116.06 1wpg s LEU 886 Ca 0.00 -0.93 -0.28 0.00 0.06 0.00 0.00 54.13 52.98 1wpg s LEU 886 Cb 0.00 2.43 -0.11 0.00 -0.56 0.00 0.00 46.19 47.96 1wpg s LEU 886 CO 0.00 -1.40 1.49 -0.62 -1.06 0.00 0.00 176.35 174.75 1wpg s ASP 887 N -3.02 6.31 0.02 1.48 -1.08 -1.26 -4.91 116.67 114.22 1wpg s ASP 887 Ca 0.17 3.05 0.27 0.00 -0.52 0.00 0.00 52.55 55.52 1wpg s ASP 887 Cb -0.04 -2.67 0.85 0.00 -1.46 0.00 0.00 42.92 39.60 1wpg s ASP 887 CO 0.10 -0.89 1.67 0.00 0.52 0.00 0.00 175.17 176.57 1wpg n GLU 889 N -1.60 1.76 0.10 0.00 2.13 -1.26 -3.60 120.64 118.18 1wpg n GLU 889 Ca 0.06 -0.80 -0.00 0.00 0.66 0.00 0.00 57.16 57.08 1wpg n GLU 889 Cb 0.35 -1.43 -0.03 0.00 0.27 0.00 0.00 31.44 30.61 1wpg n GLU 889 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1wpg h ILE 890 N 1.14 0.99 -0.15 6.31 6.09 -1.96 -3.28 117.51 126.66 1wpg h ILE 890 Ca 0.00 -2.45 -0.05 0.00 -1.37 0.00 0.00 64.86 60.99 1wpg h ILE 890 Cb 0.58 2.46 -0.03 0.00 0.47 0.00 0.00 36.82 40.29 1wpg h ILE 890 CO 0.07 0.56 0.07 0.49 -3.07 0.00 0.00 178.15 176.27 1wpg n PHE 891 N -3.20 0.48 -1.10 2.19 3.01 -1.24 -2.52 117.46 115.08 1wpg n PHE 891 Ca -0.01 -0.49 0.00 0.00 1.01 0.00 0.00 57.45 57.97 1wpg n PHE 891 Cb 0.80 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1wpg n PHE 891 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1wpg n GLU 892 N 0.17 0.00 -1.73 -1.08 1.02 -1.24 -4.84 120.64 112.94 1wpg n GLU 892 Ca 0.08 -0.27 -0.41 0.00 -0.02 0.00 0.00 57.16 56.54 1wpg n GLU 892 Cb 0.59 -0.45 0.01 0.00 -0.02 0.00 0.00 31.44 31.57 1wpg n GLU 892 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wpg n ALA 893 N 0.00 1.67 0.25 0.62 0.00 -1.05 -4.91 120.51 117.10 1wpg n ALA 893 Ca 0.00 0.26 0.14 0.00 0.00 0.00 0.00 53.44 53.84 1wpg n ALA 893 Cb 0.40 -2.33 0.57 0.00 0.00 0.00 0.00 19.45 18.09 1wpg n ALA 893 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1wpg h PRO 894 N 2.23 0.00 0.19 0.00 0.11 -1.92 -3.32 132.00 129.29 1wpg h PRO 894 Ca -0.49 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1wpg h PRO 894 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1wpg h PRO 894 CO 0.61 0.10 -0.21 0.93 -0.21 0.00 0.00 178.00 179.22 1wpg h GLU 895 N 0.00 -0.42 -0.62 1.05 3.07 -1.89 -0.64 114.58 115.12 1wpg h GLU 895 Ca -0.00 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.91 1wpg h GLU 895 Cb 0.63 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.60 1wpg h GLU 895 CO 0.01 -0.28 0.40 -1.00 -1.40 0.00 0.00 179.01 176.74 1wpg h PRO 896 N -0.44 0.78 -0.17 2.33 0.13 -1.89 -0.92 132.00 131.81 1wpg h PRO 896 Ca 0.00 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 1wpg h PRO 896 Cb 0.42 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.37 1wpg h PRO 896 CO -0.06 0.51 0.02 0.52 -0.23 0.00 0.00 178.00 178.76 1wpg h MET 897 N 0.80 0.28 -0.80 0.86 2.86 -1.70 -1.79 114.93 115.44 1wpg h MET 897 Ca 0.24 -0.08 0.11 0.00 -2.06 0.00 0.00 59.70 57.91 1wpg h MET 897 Cb -0.03 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.54 1wpg h MET 897 CO -0.08 0.46 0.52 1.15 1.06 0.00 0.00 176.91 180.03 1wpg h THR 898 N 0.06 0.92 -0.05 2.22 2.02 -0.92 0.78 112.91 117.95 1wpg h THR 898 Ca 0.05 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1wpg h THR 898 Cb 0.32 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1wpg h THR 898 CO 0.00 0.13 0.03 0.24 0.37 0.00 0.00 175.52 176.29 1wpg h MET 899 N 0.69 0.08 -0.19 6.66 2.86 -0.71 -1.57 114.93 122.75 1wpg h MET 899 Ca 0.37 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1wpg h MET 899 Cb 0.51 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1wpg h MET 899 CO -0.15 0.16 0.11 0.00 1.06 0.00 0.00 176.91 178.09 1wpg h ALA 900 N 0.91 0.24 -0.75 6.32 0.00 -0.33 -2.46 119.26 123.20 1wpg h ALA 900 Ca 0.02 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1wpg h ALA 900 Cb 0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1wpg h ALA 900 CO -0.00 -0.22 0.48 1.25 0.00 0.00 0.00 179.25 180.75 1wpg h LEU 901 N 0.21 0.79 -1.71 0.00 5.85 -0.86 -0.90 115.31 118.68 1wpg h LEU 901 Ca 0.07 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1wpg h LEU 901 Cb 0.06 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1wpg h LEU 901 CO -0.01 0.55 -0.18 0.28 -0.34 0.00 0.00 178.44 178.74 1wpg h SER 902 N 0.93 0.00 -0.03 1.25 0.02 -1.14 0.22 113.55 114.81 1wpg h SER 902 Ca 0.30 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1wpg h SER 902 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1wpg h SER 902 CO -0.11 0.18 -0.15 0.58 -1.14 0.00 0.00 176.83 176.19 1wpg h VAL 903 N 0.00 1.48 0.52 2.27 2.07 -0.74 -1.82 116.25 120.03 1wpg h VAL 903 Ca -0.00 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 1wpg h VAL 903 Cb 0.37 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1wpg h VAL 903 CO 0.02 0.45 -0.40 0.25 0.02 0.00 0.00 177.57 177.91 1wpg h LEU 904 N -0.42 -1.04 -0.28 2.57 5.85 -0.81 0.19 115.31 121.36 1wpg h LEU 904 Ca -0.01 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1wpg h LEU 904 Cb 0.81 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1wpg h LEU 904 CO 0.03 -0.58 -0.25 0.58 -0.34 0.00 0.00 178.44 177.88 1wpg h VAL 905 N -0.90 0.37 -0.93 1.05 2.07 -1.06 0.58 116.25 117.43 1wpg h VAL 905 Ca -0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1wpg h VAL 905 Cb 0.76 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1wpg h VAL 905 CO 0.01 0.00 0.61 0.74 0.02 0.00 0.00 177.57 178.94 1wpg h THR 906 N -0.24 1.24 -0.65 2.57 2.02 -1.15 -0.62 112.91 116.09 1wpg h THR 906 Ca 0.15 -0.45 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 1wpg h THR 906 Cb 0.47 -0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1wpg h THR 906 CO -0.42 0.24 0.13 0.40 0.37 0.00 0.00 175.52 176.24 1wpg h ILE 907 N 1.26 1.26 -0.42 3.11 2.04 0.36 -2.44 117.51 122.67 1wpg h ILE 907 Ca 0.34 -0.98 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 1wpg h ILE 907 Cb -0.13 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1wpg h ILE 907 CO -0.07 0.37 -0.10 -0.33 0.00 0.00 0.00 178.15 178.02 1wpg h GLU 908 N 0.97 0.82 0.00 2.37 4.39 -0.30 0.31 114.58 123.14 1wpg h GLU 908 Ca 0.20 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1wpg h GLU 908 Cb 0.40 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1wpg h GLU 908 CO 0.01 0.93 -0.06 0.52 -1.16 0.00 0.00 179.01 179.25 1wpg h MET 909 N 0.64 0.00 0.01 2.33 2.86 -1.00 0.65 114.93 120.42 1wpg h MET 909 Ca 0.11 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.47 1wpg h MET 909 Cb 0.63 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 1wpg h MET 909 CO 0.04 0.06 -1.54 0.00 1.06 0.00 0.00 176.91 176.53 1wpg n ASN 911 N -3.14 0.00 0.00 0.00 5.15 0.10 -2.83 115.26 114.55 1wpg n ASN 911 Ca -0.13 0.46 -0.17 0.00 -0.60 0.00 0.00 54.58 54.13 1wpg n ASN 911 Cb 1.03 -0.48 -0.11 0.00 -0.53 0.00 0.00 39.78 39.68 1wpg n ASN 911 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wpg h ALA 912 N 2.91 0.07 0.00 5.20 0.00 -0.97 -2.76 119.26 123.72 1wpg h ALA 912 Ca 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 1wpg h ALA 912 Cb 0.43 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wpg h ALA 912 CO 0.00 0.35 -0.19 -0.07 0.00 0.00 0.00 179.25 179.34 1wpg h LEU 913 N -0.10 0.00 -0.28 0.00 3.38 -1.63 0.84 115.31 117.52 1wpg h LEU 913 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1wpg h LEU 913 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1wpg h LEU 913 CO 0.12 0.19 0.00 0.59 0.09 0.00 0.00 178.44 179.43 1wpg n ASN 914 N -4.04 0.49 -0.54 -0.43 5.03 -1.14 -2.63 115.26 112.00 1wpg n ASN 914 Ca -0.02 0.59 0.12 0.00 0.87 0.00 0.00 54.58 56.14 1wpg n ASN 914 Cb 0.27 -0.70 0.18 0.00 -1.02 0.00 0.00 39.78 38.50 1wpg n ASN 914 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1wpg n SER 915 N -2.01 1.93 0.25 6.41 7.64 0.28 -4.14 113.62 123.99 1wpg n SER 915 Ca 0.04 -1.47 0.17 0.00 1.01 0.00 0.00 58.87 58.62 1wpg n SER 915 Cb 0.29 0.23 0.77 0.00 -1.01 0.00 0.00 64.21 64.49 1wpg n SER 915 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1wpg h LEU 916 N 2.63 0.00 -7.00 -3.43 3.38 -1.41 -3.44 115.31 106.05 1wpg h LEU 916 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1wpg h LEU 916 Cb 0.72 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.26 1wpg h LEU 916 CO 0.00 0.00 0.24 -0.55 0.09 0.00 0.00 178.44 178.22 1wpg s SER 917 N -5.04 -0.63 -0.02 -0.43 0.15 -1.26 -4.99 113.70 101.48 1wpg s SER 917 Ca -0.00 0.82 -0.07 0.00 0.70 0.00 0.00 55.95 57.39 1wpg s SER 917 Cb 0.10 0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 65.06 1wpg s SER 917 CO 0.43 -0.49 0.49 -0.08 1.20 0.00 0.00 173.24 174.80 1wpg h GLU 918 N 3.36 -0.25 -0.54 5.44 4.81 -1.84 -3.39 114.58 122.17 1wpg h GLU 918 Ca -0.26 0.02 -0.32 0.00 -0.13 0.00 0.00 59.36 58.66 1wpg h GLU 918 Cb 1.15 0.06 -0.19 0.00 0.63 0.00 0.00 28.75 30.39 1wpg h GLU 918 CO 0.30 -0.17 -0.01 0.09 -0.73 0.00 0.00 179.01 178.49 1wpg n ASN 919 N -3.57 3.49 -4.16 1.04 3.02 -1.26 -4.94 115.26 108.88 1wpg n ASN 919 Ca -0.03 -3.78 -0.32 0.00 -0.03 0.00 0.00 54.58 50.42 1wpg n ASN 919 Cb 0.10 -0.65 -0.17 0.00 -0.61 0.00 0.00 39.78 38.45 1wpg n ASN 919 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1wpg s GLN 920 N -3.37 2.96 0.71 3.52 -1.52 -1.26 -4.86 119.66 115.83 1wpg s GLN 920 Ca 0.49 -0.83 -0.16 0.00 -1.95 0.00 0.00 55.36 52.91 1wpg s GLN 920 Cb 0.43 -2.39 0.03 0.00 -0.22 0.00 0.00 33.01 30.85 1wpg s GLN 920 CO 0.01 -0.01 1.23 -1.12 -0.25 0.00 0.00 175.29 175.15 1wpg s SER 921 N 0.81 4.31 0.00 5.90 0.01 -1.26 -4.74 113.70 118.73 1wpg s SER 921 Ca -0.07 2.43 0.07 0.00 1.31 0.00 0.00 55.95 59.68 1wpg s SER 921 Cb -0.16 -2.60 0.35 0.00 0.21 0.00 0.00 66.02 63.83 1wpg s SER 921 CO -0.02 -2.19 1.10 0.18 0.41 0.00 0.00 173.24 172.72 1wpg n LEU 922 N -2.49 0.00 -0.03 2.44 4.32 -1.26 -1.46 117.00 118.51 1wpg n LEU 922 Ca 0.14 0.31 -0.20 0.00 -0.02 0.00 0.00 56.01 56.24 1wpg n LEU 922 Cb 0.50 -0.31 -0.14 0.00 -1.62 0.00 0.00 43.42 41.85 1wpg n LEU 922 CO 0.47 -0.23 -0.93 0.23 -1.22 0.00 0.00 177.39 175.71 1wpg n MET 923 N -1.31 0.73 0.26 3.23 2.81 -1.26 -2.29 117.12 119.30 1wpg n MET 923 Ca 0.03 0.23 0.16 0.00 -1.81 0.00 0.00 57.70 56.31 1wpg n MET 923 Cb 0.06 -1.67 0.56 0.00 -0.71 0.00 0.00 33.22 31.46 1wpg n MET 923 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wpg h ARG 924 N 0.05 0.00 -1.79 0.03 2.47 -1.62 -3.36 114.38 110.16 1wpg h ARG 924 Ca -0.46 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 57.90 1wpg h ARG 924 Cb 2.01 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 30.04 1wpg h ARG 924 CO 0.05 0.01 -0.71 1.41 0.56 0.00 0.00 179.97 181.30 1wpg s MET 925 N -3.57 0.82 0.69 0.04 1.75 -0.54 -4.97 119.30 113.52 1wpg s MET 925 Ca 0.02 -1.20 -0.17 0.00 -1.25 0.00 0.00 55.69 53.10 1wpg s MET 925 Cb 0.08 -0.71 -0.04 0.00 2.84 0.00 0.00 34.83 37.00 1wpg s MET 925 CO 0.58 -1.28 0.62 -0.35 -0.65 0.00 0.00 175.02 173.94 1wpg n PRO 926 N 3.60 0.40 -0.01 4.11 -0.04 -0.97 -4.40 135.00 137.69 1wpg n PRO 926 Ca 0.18 0.18 0.02 0.00 -0.04 0.00 0.00 63.50 63.84 1wpg n PRO 926 Cb 0.49 -1.89 0.37 0.00 -0.04 0.00 0.00 33.50 32.42 1wpg n PRO 926 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1wpg h PRO 927 N -0.21 0.56 0.00 0.54 0.11 -1.94 -2.79 132.00 128.27 1wpg h PRO 927 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1wpg h PRO 927 Cb 1.36 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1wpg h PRO 927 CO 0.44 0.44 0.00 -2.67 -0.21 0.00 0.00 178.00 176.01 1wpg n TRP 928 N -4.40 0.00 -0.10 0.65 2.14 -1.26 -2.76 117.44 111.71 1wpg n TRP 928 Ca 0.03 0.00 -0.14 0.00 2.07 0.00 0.00 57.50 59.46 1wpg n TRP 928 Cb 0.13 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.59 1wpg n TRP 928 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1wpg h VAL 929 N 0.00 1.29 -3.56 -1.67 2.07 -1.86 -3.36 116.25 109.17 1wpg h VAL 929 Ca 0.00 -1.54 -0.71 0.00 0.82 0.00 0.00 66.70 65.26 1wpg h VAL 929 Cb 0.00 1.54 -0.34 0.00 -1.52 0.00 0.00 31.29 30.97 1wpg h VAL 929 CO 0.00 0.50 -0.23 0.21 0.02 0.00 0.00 177.57 178.07 1wpg s ASN 930 N -6.71 5.64 0.59 0.57 3.84 -1.11 -4.91 114.94 112.85 1wpg s ASN 930 Ca -0.12 -3.00 0.29 0.00 0.21 0.00 0.00 52.86 50.23 1wpg s ASN 930 Cb 0.10 -1.93 1.55 0.00 -0.55 0.00 0.00 41.25 40.42 1wpg s ASN 930 CO 0.86 -0.36 1.99 0.40 -2.79 0.00 0.00 177.10 177.19 1wpg h ILE 931 N 4.94 0.41 -0.34 -5.21 1.08 -1.82 -0.30 117.51 116.28 1wpg h ILE 931 Ca 0.04 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.37 1wpg h ILE 931 Cb 0.94 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 35.40 1wpg h ILE 931 CO 0.74 0.00 -0.35 -0.50 -0.69 0.00 0.00 178.15 177.36 1wpg h TRP 932 N 0.00 0.90 -0.11 1.37 4.06 -1.91 -2.22 115.95 118.04 1wpg h TRP 932 Ca 0.15 -0.25 -0.00 0.00 2.06 0.00 0.00 58.89 60.85 1wpg h TRP 932 Cb 0.87 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.82 1wpg h TRP 932 CO 0.00 1.00 0.07 1.25 -3.56 0.00 0.00 178.44 177.20 1wpg h LEU 933 N 0.64 0.13 0.06 -4.49 5.85 -1.28 0.13 115.31 116.35 1wpg h LEU 933 Ca 0.06 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1wpg h LEU 933 Cb 0.89 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1wpg h LEU 933 CO 0.08 0.14 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.20 1wpg h LEU 934 N 0.11 -0.15 -2.43 2.25 3.38 -1.52 0.19 115.31 117.15 1wpg h LEU 934 Ca 0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1wpg h LEU 934 Cb 0.04 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1wpg h LEU 934 CO -0.01 -0.09 -0.03 1.23 0.09 0.00 0.00 178.44 179.63 1wpg h GLY 935 N -0.13 0.00 0.63 0.83 0.00 -1.25 -1.94 103.07 101.22 1wpg h GLY 935 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1wpg h GLY 935 CO -0.01 0.00 -0.34 0.23 0.00 0.00 0.00 176.54 176.41 1wpg h SER 936 N 0.00 0.37 -0.75 0.19 0.87 0.68 -2.89 113.55 112.02 1wpg h SER 936 Ca -0.00 -0.70 -0.02 0.00 -1.23 0.00 0.00 61.79 59.84 1wpg h SER 936 Cb 0.12 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 1wpg h SER 936 CO 0.00 1.01 0.40 0.40 -0.53 0.00 0.00 176.83 178.11 1wpg h ILE 937 N -0.25 1.23 -0.72 2.23 2.04 -0.29 -1.95 117.51 119.80 1wpg h ILE 937 Ca -0.03 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 1wpg h ILE 937 Cb 1.03 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1wpg h ILE 937 CO 0.07 0.26 0.23 0.00 0.00 0.00 0.00 178.15 178.71 1wpg h LEU 939 N 1.07 0.00 0.00 0.00 5.85 -1.20 -2.26 115.31 118.77 1wpg h LEU 939 Ca 0.23 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 1wpg h LEU 939 Cb 0.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1wpg h LEU 939 CO -0.01 0.00 -0.41 0.28 -0.34 0.00 0.00 178.44 177.96 1wpg h SER 940 N 0.00 0.00 -0.94 1.25 0.02 -0.55 -3.08 113.55 110.25 1wpg h SER 940 Ca 0.00 -0.62 0.06 0.00 -0.84 0.00 0.00 61.79 60.39 1wpg h SER 940 Cb 0.46 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.93 1wpg h SER 940 CO 0.00 1.05 0.60 0.24 -1.14 0.00 0.00 176.83 177.57 1wpg h MET 941 N -1.00 1.06 -0.71 3.45 2.86 -1.12 0.13 114.93 119.60 1wpg h MET 941 Ca -0.10 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1wpg h MET 941 Cb 0.90 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 1wpg h MET 941 CO -0.06 0.70 0.39 0.66 1.06 0.00 0.00 176.91 179.65 1wpg h SER 942 N 1.09 0.88 0.90 1.22 4.64 -1.55 0.55 113.55 121.29 1wpg h SER 942 Ca 0.40 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1wpg h SER 942 Cb 0.16 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1wpg h SER 942 CO -0.17 0.73 0.00 -0.07 -0.87 0.00 0.00 176.83 176.45 1wpg h LEU 943 N 0.97 0.00 0.01 5.97 3.38 -1.11 -0.78 115.31 123.75 1wpg h LEU 943 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1wpg h LEU 943 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1wpg h LEU 943 CO -0.04 0.00 -0.01 -0.74 0.09 0.00 0.00 178.44 177.74 1wpg h HIS 944 N 0.00 -0.02 0.00 1.13 2.76 0.12 -3.21 115.15 115.93 1wpg h HIS 944 Ca 0.00 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1wpg h HIS 944 Cb 0.45 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.41 1wpg h HIS 944 CO 0.00 0.75 -0.12 0.74 -1.30 0.00 0.00 177.93 178.00 1wpg h PHE 945 N -0.95 0.00 -0.12 5.26 0.04 -0.88 -1.51 116.94 118.77 1wpg h PHE 945 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1wpg h PHE 945 Cb 0.77 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.91 1wpg h PHE 945 CO 0.21 0.12 -0.00 1.25 -0.60 0.00 0.00 178.31 179.29 1wpg h LEU 946 N 0.00 0.15 0.00 1.54 5.85 -1.17 -1.09 115.31 120.58 1wpg h LEU 946 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1wpg h LEU 946 Cb 0.26 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1wpg h LEU 946 CO 0.02 0.18 -0.34 -0.38 -0.34 0.00 0.00 178.44 177.58 1wpg n ILE 947 N -4.43 0.38 1.00 4.05 5.41 -0.58 -2.75 119.36 122.44 1wpg n ILE 947 Ca -0.01 -0.23 0.10 0.00 1.00 0.00 0.00 62.75 63.61 1wpg n ILE 947 Cb 0.15 -0.29 -0.09 0.00 -0.71 0.00 0.00 39.64 38.70 1wpg n ILE 947 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1wpg n LEU 948 N -2.06 1.03 -0.00 1.39 4.77 -0.49 -3.04 117.00 118.61 1wpg n LEU 948 Ca 0.05 -0.49 -0.01 0.00 -0.03 0.00 0.00 56.01 55.53 1wpg n LEU 948 Cb 0.42 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1wpg n LEU 948 CO 0.33 0.25 -0.52 -1.22 -1.33 0.00 0.00 177.39 174.90 1wpg n TYR 949 N -1.41 0.00 -1.70 -1.77 4.02 -0.76 -3.69 117.16 111.85 1wpg n TYR 949 Ca 0.04 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.75 1wpg n TYR 949 Cb 0.34 -0.02 -0.06 0.00 -0.02 0.00 0.00 39.34 39.58 1wpg n TYR 949 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1wpg s VAL 950 N -2.01 3.13 0.08 -0.72 1.01 -1.11 -4.82 120.40 115.95 1wpg s VAL 950 Ca -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1wpg s VAL 950 Cb 0.00 -3.30 0.11 0.00 0.00 0.00 0.00 36.38 33.20 1wpg s VAL 950 CO 0.01 -0.28 0.45 0.47 0.00 0.00 0.00 175.10 175.75 1wpg n ASP 951 N 17.20 -0.14 0.00 3.32 8.00 -1.26 0.29 116.55 143.96 1wpg n ASP 951 Ca 0.44 0.50 0.01 0.00 0.71 0.00 0.00 54.79 56.45 1wpg n ASP 951 Cb 0.45 -0.14 0.06 0.00 -0.02 0.00 0.00 41.12 41.47 1wpg n ASP 951 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1wpg n PRO 952 N -4.46 0.13 -0.04 -0.24 -0.04 -1.26 -3.28 135.00 125.82 1wpg n PRO 952 Ca 0.04 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 1wpg n PRO 952 Cb 0.13 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 1wpg n PRO 952 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wpg n LEU 953 N -0.74 1.04 -0.10 1.53 4.77 0.14 -4.58 117.00 119.06 1wpg n LEU 953 Ca 0.02 0.17 0.27 0.00 -0.03 0.00 0.00 56.01 56.43 1wpg n LEU 953 Cb 0.01 -0.39 0.64 0.00 -2.33 0.00 0.00 43.42 41.35 1wpg n LEU 953 CO 0.01 -0.09 1.24 -0.65 -1.33 0.00 0.00 177.39 176.57 1wpg h PRO 954 N -0.40 0.00 -0.02 3.23 0.11 -1.52 0.02 132.00 133.42 1wpg h PRO 954 Ca -0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 1wpg h PRO 954 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1wpg h PRO 954 CO -0.10 0.00 -0.04 1.98 -0.21 0.00 0.00 178.00 179.63 1wpg h MET 955 N 0.00 0.06 0.00 1.05 4.05 -1.82 0.27 114.93 118.54 1wpg h MET 955 Ca 0.38 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.71 1wpg h MET 955 Cb 2.00 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.79 1wpg h MET 955 CO -0.00 0.61 -0.27 -0.84 0.23 0.00 0.00 176.91 176.64 1wpg h ILE 956 N -0.49 0.64 -0.01 1.77 3.07 -1.28 -3.03 117.51 118.17 1wpg h ILE 956 Ca 0.00 -1.24 0.00 0.00 1.55 0.00 0.00 64.86 65.17 1wpg h ILE 956 Cb 0.61 1.82 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 1wpg h ILE 956 CO 0.01 0.26 -0.56 0.49 -1.05 0.00 0.00 178.15 177.30 1wpg n PHE 957 N -3.43 0.00 -3.62 0.16 3.01 -0.64 -4.99 117.46 107.96 1wpg n PHE 957 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 1wpg n PHE 957 Cb 0.45 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.97 1wpg n PHE 957 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1wpg n LYS 958 N -0.27 -4.79 -4.36 -1.08 5.02 0.79 -4.84 118.16 108.63 1wpg n LYS 958 Ca 0.08 0.67 -0.19 0.00 -2.02 0.00 0.00 58.31 56.85 1wpg n LYS 958 Cb 0.44 -5.28 -0.10 0.00 -0.02 0.00 0.00 35.03 30.07 1wpg n LYS 958 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wpg s LEU 959 N -6.51 2.56 -0.16 -0.35 1.43 -0.17 -4.62 118.68 110.85 1wpg s LEU 959 Ca 0.06 -1.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.02 1wpg s LEU 959 Cb -0.02 -0.71 0.05 0.00 0.03 0.00 0.00 46.19 45.54 1wpg s LEU 959 CO 0.79 -0.16 0.41 -0.75 0.23 0.00 0.00 176.35 176.88 1wpg s LYS 960 N -3.64 0.44 0.93 1.70 2.20 -1.26 -4.63 119.74 115.50 1wpg s LYS 960 Ca 0.23 0.66 -0.16 0.00 -0.36 0.00 0.00 55.97 56.35 1wpg s LYS 960 Cb -0.01 0.12 -0.14 0.00 -1.51 0.00 0.00 37.83 36.29 1wpg s LYS 960 CO 0.08 -0.10 -0.74 0.00 -0.36 0.00 0.00 175.35 174.22 1wpg n ALA 961 N 3.45 -5.27 -2.43 3.13 0.00 -1.24 -4.77 120.51 113.37 1wpg n ALA 961 Ca -0.17 -0.63 -0.22 0.00 0.00 0.00 0.00 53.44 52.42 1wpg n ALA 961 Cb 0.56 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 1wpg n ALA 961 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wpg s LEU 962 N 7.50 2.55 0.00 0.00 1.43 -1.26 -4.96 118.68 123.93 1wpg s LEU 962 Ca 0.39 -1.13 -0.03 0.00 -1.03 0.00 0.00 54.13 52.32 1wpg s LEU 962 Cb -0.18 -0.76 0.06 0.00 0.03 0.00 0.00 46.19 45.34 1wpg s LEU 962 CO 0.78 -0.23 0.40 0.47 0.23 0.00 0.00 176.35 178.00 1wpg n ASP 963 N -0.57 0.21 0.13 2.29 8.00 -1.26 -4.86 116.55 120.49 1wpg n ASP 963 Ca -0.06 -1.25 0.12 0.00 0.71 0.00 0.00 54.79 54.31 1wpg n ASP 963 Cb 0.62 -0.29 0.18 0.00 -0.02 0.00 0.00 41.12 41.61 1wpg n ASP 963 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1wpg h LEU 964 N 0.00 0.00 0.16 0.64 7.12 -2.01 -2.14 115.31 119.08 1wpg h LEU 964 Ca -0.13 -0.05 -0.35 0.00 0.13 0.00 0.00 57.88 57.49 1wpg h LEU 964 Cb 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 1wpg h LEU 964 CO 0.11 0.02 -1.76 0.74 -0.13 0.00 0.00 178.44 177.43 1wpg h THR 965 N 0.00 0.92 0.28 1.05 2.02 -1.99 -2.91 112.91 112.28 1wpg h THR 965 Ca 0.00 -2.54 -0.01 0.00 0.77 0.00 0.00 66.41 64.63 1wpg h THR 965 Cb 0.89 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 1wpg h THR 965 CO 0.00 0.85 -0.14 1.56 0.37 0.00 0.00 175.52 178.16 1wpg h GLN 966 N 0.09 -0.37 -0.81 6.66 1.08 -1.90 -2.70 115.11 117.16 1wpg h GLN 966 Ca -0.34 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 56.92 1wpg h GLN 966 Cb 2.08 0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 29.54 1wpg h GLN 966 CO 0.16 -0.18 0.52 -1.49 -0.95 0.00 0.00 178.83 176.89 1wpg h TRP 967 N -0.47 0.96 -0.86 2.96 -0.00 -1.53 -1.91 115.95 115.10 1wpg h TRP 967 Ca -0.04 0.03 0.12 0.00 -0.00 0.00 0.00 58.89 59.00 1wpg h TRP 967 Cb 0.36 -0.32 -0.08 0.00 -0.00 0.00 0.00 29.16 29.11 1wpg h TRP 967 CO -0.03 0.54 0.48 1.25 -0.00 0.00 0.00 178.44 180.68 1wpg h LEU 968 N 0.99 0.65 -0.87 -4.49 5.85 -1.38 -0.17 115.31 115.89 1wpg h LEU 968 Ca 0.33 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.10 1wpg h LEU 968 Cb 0.05 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1wpg h LEU 968 CO -0.13 0.32 0.46 -0.03 -0.34 0.00 0.00 178.44 178.73 1wpg h MET 969 N 0.74 1.23 0.21 1.25 4.05 -1.02 -1.29 114.93 120.09 1wpg h MET 969 Ca 0.45 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.70 1wpg h MET 969 Cb 0.53 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1wpg h MET 969 CO -0.31 0.91 -0.10 0.28 0.23 0.00 0.00 176.91 177.92 1wpg h VAL 970 N 1.22 0.86 0.00 -5.77 2.07 -0.80 -2.27 116.25 111.56 1wpg h VAL 970 Ca 0.30 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1wpg h VAL 970 Cb 0.05 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1wpg h VAL 970 CO -0.05 0.08 0.00 -0.07 0.02 0.00 0.00 177.57 177.56 1wpg h LEU 971 N -0.46 0.00 0.00 2.57 3.38 -1.04 0.13 115.31 119.89 1wpg h LEU 971 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1wpg h LEU 971 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1wpg h LEU 971 CO 0.05 0.00 -1.15 0.11 0.09 0.00 0.00 178.44 177.54 1wpg h LYS 972 N 0.00 0.00 0.00 1.13 1.79 -0.86 -3.03 116.57 115.60 1wpg h LYS 972 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wpg h LYS 972 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1wpg h LYS 972 CO 0.00 0.29 -1.58 1.51 -1.08 0.00 0.00 179.45 178.59 1wpg n ILE 973 N -2.94 0.00 -0.10 1.86 3.06 -0.73 -4.50 119.36 116.01 1wpg n ILE 973 Ca -0.06 -0.33 -0.15 0.00 -2.50 0.00 0.00 62.75 59.70 1wpg n ILE 973 Cb 0.78 0.31 -0.07 0.00 0.54 0.00 0.00 39.64 41.20 1wpg n ILE 973 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1wpg n SER 974 N -1.95 1.87 -0.33 9.51 7.64 0.37 -4.49 113.62 126.25 1wpg n SER 974 Ca -0.02 0.46 0.24 0.00 1.01 0.00 0.00 58.87 60.57 1wpg n SER 974 Cb 0.42 -0.87 0.48 0.00 -1.01 0.00 0.00 64.21 63.23 1wpg n SER 974 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1wpg h LEU 975 N -1.00 0.41 0.00 -3.43 -0.00 -1.73 0.29 115.31 109.85 1wpg h LEU 975 Ca -0.24 0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1wpg h LEU 975 Cb 1.05 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1wpg h LEU 975 CO -0.15 -0.20 0.00 -0.81 -0.00 0.00 0.00 178.44 177.28 1wpg n PRO 976 N -5.12 0.11 0.04 1.13 -0.04 -1.26 -2.06 135.00 127.80 1wpg n PRO 976 Ca 0.32 0.18 -0.03 0.00 -0.04 0.00 0.00 63.50 63.93 1wpg n PRO 976 Cb 1.02 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 33.18 1wpg n PRO 976 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1wpg h VAL 977 N 0.00 1.28 -0.51 0.52 3.04 -0.67 -2.58 116.25 117.33 1wpg h VAL 977 Ca 0.00 -1.37 -0.02 0.00 -1.01 0.00 0.00 66.70 64.30 1wpg h VAL 977 Cb 0.05 1.48 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 1wpg h VAL 977 CO 0.00 0.42 0.24 0.40 -1.01 0.00 0.00 177.57 177.62 1wpg h ILE 978 N 0.35 1.20 -0.38 3.17 2.04 -1.61 -2.37 117.51 119.91 1wpg h ILE 978 Ca 0.04 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.34 1wpg h ILE 978 Cb 0.73 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1wpg h ILE 978 CO 0.06 0.22 0.25 1.23 0.00 0.00 0.00 178.15 179.91 1wpg h GLY 979 N 0.68 0.53 0.48 5.37 0.00 -1.65 -0.57 103.07 107.92 1wpg h GLY 979 Ca 0.17 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.34 1wpg h GLY 979 CO -0.02 0.19 -0.21 -2.00 0.00 0.00 0.00 176.54 174.50 1wpg h LEU 980 N 0.50 -0.62 -0.63 3.11 5.85 -1.18 -1.61 115.31 120.72 1wpg h LEU 980 Ca 0.14 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 1wpg h LEU 980 Cb -0.05 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1wpg h LEU 980 CO -0.04 -0.28 0.13 -0.78 -0.34 0.00 0.00 178.44 177.13 1wpg h ASP 981 N -0.33 0.99 0.00 1.25 3.58 -1.34 -1.27 116.42 119.31 1wpg h ASP 981 Ca 0.06 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 1wpg h ASP 981 Cb 0.41 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 1wpg h ASP 981 CO -0.21 0.98 -0.00 -0.08 -2.88 0.00 0.00 179.24 177.06 1wpg h GLU 982 N 0.95 0.00 0.11 0.28 4.57 -0.77 -1.74 114.58 117.99 1wpg h GLU 982 Ca 0.20 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.16 1wpg h GLU 982 Cb 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1wpg h GLU 982 CO 0.01 0.00 -1.04 0.82 -1.18 0.00 0.00 179.01 177.62 1wpg h ILE 983 N 0.00 1.28 -0.79 2.32 1.08 -0.61 -3.22 117.51 117.57 1wpg h ILE 983 Ca -0.00 -2.43 0.08 0.00 -0.39 0.00 0.00 64.86 62.12 1wpg h ILE 983 Cb 0.00 2.93 -0.05 0.00 -3.07 0.00 0.00 36.82 36.63 1wpg h ILE 983 CO 0.00 0.67 0.52 -0.07 -0.69 0.00 0.00 178.15 178.58 1wpg h LEU 984 N -0.44 0.71 -0.19 1.44 3.38 -0.64 -1.18 115.31 118.39 1wpg h LEU 984 Ca -0.22 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1wpg h LEU 984 Cb 1.61 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1wpg h LEU 984 CO 0.07 0.44 0.07 0.11 0.09 0.00 0.00 178.44 179.22 1wpg h LYS 985 N 0.79 0.28 -0.68 1.13 1.57 -1.45 -2.78 116.57 115.42 1wpg h LYS 985 Ca 0.35 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.17 1wpg h LYS 985 Cb 0.34 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.54 1wpg h LYS 985 CO -0.13 0.35 0.34 0.35 -0.57 0.00 0.00 179.45 179.79 1wpg h PHE 986 N 0.14 0.60 0.00 -1.35 3.57 -1.28 0.77 116.94 119.39 1wpg h PHE 986 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1wpg h PHE 986 Cb 0.18 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1wpg h PHE 986 CO -0.01 0.22 0.28 0.82 -2.23 0.00 0.00 178.31 177.39 1wpg h ILE 987 N 0.58 0.00 0.00 1.41 2.04 -0.97 -1.21 117.51 119.37 1wpg h ILE 987 Ca 0.33 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.11 1wpg h ILE 987 Cb 0.34 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1wpg h ILE 987 CO -0.26 0.00 -1.31 0.00 0.00 0.00 0.00 178.15 176.58 1wpg n ALA 988 N -1.91 1.95 0.23 1.87 0.00 -0.32 -3.14 120.51 119.19 1wpg n ALA 988 Ca -0.02 -0.23 0.11 0.00 0.00 0.00 0.00 53.44 53.30 1wpg n ALA 988 Cb 0.33 0.38 0.57 0.00 0.00 0.00 0.00 19.45 20.73 1wpg n ALA 988 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1wpg n ARG 989 N -2.71 0.16 0.00 0.00 0.63 0.25 -1.47 116.66 113.52 1wpg n ARG 989 Ca -0.10 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 1wpg n ARG 989 Cb 0.60 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.57 1wpg n ARG 989 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1wpg n ASN 990 N -2.27 0.39 0.00 6.15 3.02 -0.48 -4.07 115.26 118.00 1wpg n ASN 990 Ca -0.00 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1wpg n ASN 990 Cb 0.09 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1wpg n ASN 990 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1wpg n TYR 991 N -0.09 0.00 0.00 3.10 4.02 -1.07 -4.84 117.16 118.28 1wpg n TYR 991 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1wpg n TYR 991 Cb 0.11 0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 1wpg n TYR 991 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1wpg n LEU 992 N -2.07 0.00 -3.39 7.72 7.94 -1.07 -4.41 117.00 121.72 1wpg n LEU 992 Ca 0.00 0.55 -0.26 0.00 -1.11 0.00 0.00 56.01 55.19 1wpg n LEU 992 Cb 0.00 -0.05 -0.09 0.00 0.53 0.00 0.00 43.42 43.81 1wpg n LEU 992 CO 0.00 -0.05 -0.20 -0.62 -1.11 0.00 0.00 177.39 175.42 1wpg n GLU 993 N -0.95 1.06 0.00 1.96 1.02 -0.54 -5.05 120.64 118.14 1wpg n GLU 993 Ca 0.00 -3.66 0.00 0.00 -0.02 0.00 0.00 57.16 53.48 1wpg n GLU 993 Cb 0.00 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 1wpg n GLU 993 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72