#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aov s PRO 2 N 0.00 4.08 0.00 0.00 0.04 -1.26 -4.85 135.00 133.01 1aov s PRO 2 Ca 0.00 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1aov s PRO 2 Cb 0.00 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1aov s PRO 2 CO 0.00 -0.33 0.00 -0.35 0.04 0.00 0.00 177.00 176.36 1aov n PRO 3 N 5.45 0.00 -1.81 0.56 -0.04 -1.26 -5.05 135.00 132.86 1aov n PRO 3 Ca -0.04 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.38 1aov n PRO 3 Cb 0.50 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.98 1aov n PRO 3 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1aov n LYS 4 N 0.00 0.64 -2.74 0.54 0.00 -1.26 -4.75 118.16 110.60 1aov n LYS 4 Ca 0.00 -1.32 -0.28 0.00 0.00 0.00 0.00 58.31 56.71 1aov n LYS 4 Cb 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 35.03 35.32 1aov n LYS 4 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1aov s THR 5 N -0.19 4.87 0.42 3.15 -4.23 -1.19 -4.82 115.64 113.65 1aov s THR 5 Ca 0.08 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 1aov s THR 5 Cb 0.23 -3.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.24 1aov s THR 5 CO -0.07 -0.71 0.64 -0.89 -0.54 0.00 0.00 174.62 173.05 1aov s THR 6 N -2.58 4.27 -0.02 3.99 2.01 -1.26 -0.38 115.64 121.67 1aov s THR 6 Ca 0.49 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 62.02 1aov s THR 6 Cb -0.10 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.84 1aov s THR 6 CO 0.39 -0.39 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.18 1aov s VAL 7 N -2.49 0.55 -0.63 3.82 1.01 0.29 -4.82 120.40 118.13 1aov s VAL 7 Ca 0.46 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 1aov s VAL 7 Cb -0.10 -0.52 0.16 0.00 0.00 0.00 0.00 36.38 35.92 1aov s VAL 7 CO 0.37 0.19 0.54 -0.13 0.00 0.00 0.00 175.10 176.08 1aov s ARG 8 N 0.37 3.02 0.41 2.72 0.52 -1.26 0.17 118.95 124.90 1aov s ARG 8 Ca -0.05 -2.05 -0.23 0.00 -0.52 0.00 0.00 55.73 52.88 1aov s ARG 8 Cb -0.09 -4.19 -0.10 0.00 0.52 0.00 0.00 34.95 31.09 1aov s ARG 8 CO 0.00 -1.27 0.99 -0.46 0.02 0.00 0.00 175.30 174.58 1aov s TRP 9 N 0.90 3.34 -0.12 -0.53 -0.11 0.86 -0.51 118.94 122.77 1aov s TRP 9 Ca 0.10 1.66 -0.04 0.00 1.22 0.00 0.00 56.10 59.03 1aov s TRP 9 Cb -0.22 -2.97 -0.04 0.00 -1.50 0.00 0.00 33.47 28.75 1aov s TRP 9 CO -0.02 -0.28 0.03 0.00 -4.62 0.00 0.00 176.95 172.05 1aov s THR 11 N -0.40 1.99 -1.28 0.00 -4.23 0.11 -4.81 115.64 107.03 1aov s THR 11 Ca 0.08 -1.44 0.16 0.00 -1.18 0.00 0.00 61.69 59.31 1aov s THR 11 Cb -0.12 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 1aov s THR 11 CO 0.02 0.21 0.80 2.30 -0.54 0.00 0.00 174.62 177.41 1aov n ILE 12 N 1.51 0.00 -4.22 2.99 -0.00 -1.26 -0.25 119.36 118.13 1aov n ILE 12 Ca -0.18 -0.29 -0.18 0.00 -0.00 0.00 0.00 62.75 62.11 1aov n ILE 12 Cb 0.53 1.14 -0.11 0.00 -0.00 0.00 0.00 39.64 41.20 1aov n ILE 12 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1aov s SER 13 N -2.01 1.89 0.21 7.28 1.04 -1.26 -4.26 113.70 116.59 1aov s SER 13 Ca 0.11 -0.75 -0.10 0.00 0.48 0.00 0.00 55.95 55.69 1aov s SER 13 Cb 0.12 -0.06 0.17 0.00 0.10 0.00 0.00 66.02 66.35 1aov s SER 13 CO 0.45 -0.13 1.87 0.77 0.98 0.00 0.00 173.24 177.18 1aov h SER 14 N 3.75 0.79 -0.67 7.02 4.64 -1.93 0.36 113.55 127.50 1aov h SER 14 Ca -0.40 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 60.91 1aov h SER 14 Cb 1.19 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 1aov h SER 14 CO 0.48 0.56 0.44 0.00 -0.87 0.00 0.00 176.83 177.44 1aov h ALA 15 N 1.28 0.85 0.16 5.18 0.00 -1.96 0.60 119.26 125.38 1aov h ALA 15 Ca 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1aov h ALA 15 Cb -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1aov h ALA 15 CO -0.08 0.28 -0.08 1.49 0.00 0.00 0.00 179.25 180.87 1aov h GLU 16 N 0.91 -0.21 -1.00 0.00 4.81 -1.83 -1.51 114.58 115.75 1aov h GLU 16 Ca 0.25 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.67 1aov h GLU 16 Cb -0.10 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.22 1aov h GLU 16 CO -0.05 -0.06 0.62 1.49 -0.73 0.00 0.00 179.01 180.27 1aov h GLU 17 N -0.31 0.76 0.31 1.92 4.57 0.21 -0.43 114.58 121.61 1aov h GLU 17 Ca -0.02 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1aov h GLU 17 Cb 0.24 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1aov h GLU 17 CO 0.04 0.50 -0.46 -0.22 -1.18 0.00 0.00 179.01 177.69 1aov h LYS 18 N 0.78 -0.78 -0.00 1.92 1.63 0.12 0.23 116.57 120.48 1aov h LYS 18 Ca 0.56 0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 60.35 1aov h LYS 18 Cb 0.85 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.65 1aov h LYS 18 CO -0.35 -0.52 -0.29 -0.22 -3.45 0.00 0.00 179.45 174.63 1aov h LYS 19 N -0.80 0.00 -0.09 1.90 3.64 -0.95 -1.52 116.57 118.75 1aov h LYS 19 Ca -0.04 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1aov h LYS 19 Cb 0.74 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1aov h LYS 19 CO -0.14 0.29 -0.00 0.00 -2.27 0.00 0.00 179.45 177.33 1aov h ASN 21 N 0.03 0.00 -0.73 0.00 2.35 -0.87 -1.79 115.58 114.57 1aov h ASN 21 Ca 0.04 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1aov h ASN 21 Cb 0.05 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 1aov h ASN 21 CO -0.07 0.47 0.48 -1.28 -1.65 0.00 0.00 177.43 175.38 1aov h SER 22 N 0.00 0.82 0.62 5.81 0.87 0.03 -2.00 113.55 119.69 1aov h SER 22 Ca -0.00 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1aov h SER 22 Cb 0.88 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1aov h SER 22 CO 0.06 0.58 -0.30 0.25 -0.53 0.00 0.00 176.83 176.90 1aov h LEU 23 N 0.96 -0.70 -0.93 2.23 5.85 -0.20 -3.06 115.31 119.46 1aov h LEU 23 Ca 0.27 0.02 0.24 0.00 0.84 0.00 0.00 57.88 59.25 1aov h LEU 23 Cb -0.07 0.18 -0.13 0.00 0.37 0.00 0.00 40.66 41.02 1aov h LEU 23 CO -0.07 -0.48 0.46 0.07 -0.34 0.00 0.00 178.44 178.08 1aov h LYS 24 N -0.87 0.42 -0.52 1.25 5.09 -0.78 0.38 116.57 121.54 1aov h LYS 24 Ca -0.08 -0.03 0.07 0.00 0.09 0.00 0.00 60.65 60.70 1aov h LYS 24 Cb 0.63 -0.09 -0.06 0.00 0.10 0.00 0.00 32.23 32.81 1aov h LYS 24 CO 0.14 0.28 0.20 -0.44 -2.09 0.00 0.00 179.45 177.54 1aov h ASP 25 N 0.43 0.23 -0.50 7.07 3.32 -1.34 -0.22 116.42 125.41 1aov h ASP 25 Ca 0.60 0.06 0.15 0.00 0.02 0.00 0.00 57.03 57.85 1aov h ASP 25 Cb 1.16 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 1aov h ASP 25 CO -0.53 0.16 0.40 0.45 -1.72 0.00 0.00 179.24 178.00 1aov h HIS 26 N 0.40 0.00 -1.80 4.55 3.86 -0.81 -3.13 115.15 118.22 1aov h HIS 26 Ca 0.25 0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 59.01 1aov h HIS 26 Cb 0.26 0.00 -0.38 0.00 1.06 0.00 0.00 27.41 28.35 1aov h HIS 26 CO -0.15 0.00 -1.14 0.00 0.86 0.00 0.00 177.93 177.50 1aov n MET 27 N -4.15 0.98 0.28 2.45 0.00 -0.13 -4.79 117.12 111.75 1aov n MET 27 Ca 0.09 -3.26 0.13 0.00 0.00 0.00 0.00 57.70 54.66 1aov n MET 27 Cb 0.62 -1.63 0.80 0.00 0.00 0.00 0.00 33.22 33.01 1aov n MET 27 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 1aov h GLN 28 N 3.00 0.00 -0.51 3.17 1.08 -1.40 -3.12 115.11 117.33 1aov h GLN 28 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1aov h GLN 28 Cb 0.99 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1aov h GLN 28 CO 0.47 0.04 0.00 0.00 -0.95 0.00 0.00 178.83 178.39 1aov n GLN 29 N -3.95 0.45 -4.47 1.46 10.64 -1.26 -4.92 117.38 115.32 1aov n GLN 29 Ca -0.03 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.90 1aov n GLN 29 Cb 0.13 -1.23 -0.08 0.00 -0.86 0.00 0.00 30.24 28.20 1aov n GLN 29 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1aov s GLU 30 N -0.92 1.90 0.06 2.61 2.56 -1.18 -5.07 118.70 118.67 1aov s GLU 30 Ca 0.00 -2.15 -0.26 0.00 0.00 0.00 0.00 54.97 52.56 1aov s GLU 30 Cb 0.00 -0.44 -0.17 0.00 2.00 0.00 0.00 34.13 35.53 1aov s GLU 30 CO 0.00 -0.52 1.59 0.00 -0.56 0.00 0.00 175.26 175.77 1aov h ARG 31 N 1.84 -0.23 -4.69 4.30 2.47 -1.91 -3.41 114.38 112.75 1aov h ARG 31 Ca -0.33 0.02 -0.69 0.00 -1.26 0.00 0.00 59.98 57.71 1aov h ARG 31 Cb 1.27 0.05 -0.25 0.00 -1.65 0.00 0.00 29.97 29.39 1aov h ARG 31 CO 0.53 -0.07 -0.57 0.08 0.56 0.00 0.00 179.97 180.50 1aov s VAL 32 N -5.70 4.27 0.44 2.04 1.01 -1.26 -3.18 120.40 118.02 1aov s VAL 32 Ca -0.14 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.09 1aov s VAL 32 Cb 0.04 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 33.12 1aov s VAL 32 CO 0.64 -0.09 0.62 0.42 0.00 0.00 0.00 175.10 176.68 1aov s THR 33 N 1.52 3.22 0.21 3.92 -4.23 0.49 -4.85 115.64 115.91 1aov s THR 33 Ca 0.02 -0.86 0.09 0.00 -1.18 0.00 0.00 61.69 59.76 1aov s THR 33 Cb -0.18 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 1aov s THR 33 CO 0.05 -0.06 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.77 1aov s LEU 34 N -4.45 3.02 0.06 4.79 2.96 -1.26 0.10 118.68 123.91 1aov s LEU 34 Ca 0.53 -0.62 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1aov s LEU 34 Cb -0.10 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1aov s LEU 34 CO 0.35 0.07 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.85 1aov s SER 35 N -3.10 0.68 -0.04 3.68 0.15 0.44 -4.76 113.70 110.76 1aov s SER 35 Ca 0.27 -0.93 0.04 0.00 0.70 0.00 0.00 55.95 56.03 1aov s SER 35 Cb -0.08 0.15 -0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1aov s SER 35 CO 0.16 -0.51 -0.16 0.00 1.20 0.00 0.00 173.24 173.94 1aov s VAL 37 N 0.02 0.79 0.16 0.00 1.01 -0.90 -4.93 120.40 116.55 1aov s VAL 37 Ca -0.02 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1aov s VAL 37 Cb -0.10 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1aov s VAL 37 CO 0.02 0.26 0.10 -1.58 0.00 0.00 0.00 175.10 173.89 1aov s GLN 38 N 0.33 2.79 0.28 2.72 0.74 -1.26 -0.71 119.66 124.56 1aov s GLN 38 Ca -0.06 -0.90 0.02 0.00 0.05 0.00 0.00 55.36 54.47 1aov s GLN 38 Cb -0.10 -2.59 -0.00 0.00 1.10 0.00 0.00 33.01 31.41 1aov s GLN 38 CO 0.01 0.49 0.33 1.63 -0.55 0.00 0.00 175.29 177.20 1aov n LYS 39 N -0.21 0.48 -0.11 1.67 4.76 0.65 -4.91 118.16 120.49 1aov n LYS 39 Ca -0.09 -2.45 -0.16 0.00 -2.87 0.00 0.00 58.31 52.74 1aov n LYS 39 Cb 0.54 2.21 -0.13 0.00 -1.84 0.00 0.00 35.03 35.81 1aov n LYS 39 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aov n ALA 40 N -1.13 1.41 -3.25 7.82 0.00 -1.26 -4.07 120.51 120.04 1aov n ALA 40 Ca -0.10 -1.11 -0.29 0.00 0.00 0.00 0.00 53.44 51.93 1aov n ALA 40 Cb 0.48 -0.19 -0.17 0.00 0.00 0.00 0.00 19.45 19.58 1aov n ALA 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1aov s THR 41 N -2.52 1.75 0.38 0.00 2.01 -1.26 -4.90 115.64 111.10 1aov s THR 41 Ca -0.27 -0.84 0.22 0.00 0.31 0.00 0.00 61.69 61.11 1aov s THR 41 Cb 0.08 -1.53 0.39 0.00 0.01 0.00 0.00 72.50 71.45 1aov s THR 41 CO 0.68 0.49 1.61 0.10 -0.69 0.00 0.00 174.62 176.81 1aov h TYR 42 N 6.73 0.76 0.09 4.92 -0.00 -1.95 0.46 116.97 127.99 1aov h TYR 42 Ca -0.24 0.03 -0.00 0.00 0.00 0.00 0.00 58.73 58.52 1aov h TYR 42 Cb 1.22 -0.19 0.00 0.00 0.00 0.00 0.00 36.73 37.76 1aov h TYR 42 CO 0.47 -0.32 -0.04 1.25 -0.00 0.00 0.00 178.16 179.52 1aov h LEU 43 N 0.11 -0.11 -0.60 0.10 5.85 -1.99 0.26 115.31 118.94 1aov h LEU 43 Ca 0.81 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.60 1aov h LEU 43 Cb 2.20 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 43.19 1aov h LEU 43 CO -0.62 -0.05 0.24 0.44 -0.34 0.00 0.00 178.44 178.11 1aov h ASP 44 N -0.15 0.27 -0.81 1.25 3.32 -0.50 0.11 116.42 119.90 1aov h ASP 44 Ca -0.01 0.07 0.16 0.00 0.02 0.00 0.00 57.03 57.26 1aov h ASP 44 Cb 0.12 0.04 -0.10 0.00 0.22 0.00 0.00 39.33 39.60 1aov h ASP 44 CO 0.02 0.16 0.37 0.00 -1.72 0.00 0.00 179.24 178.07 1aov h ILE 46 N 0.50 0.22 0.00 0.00 2.04 0.20 0.56 117.51 121.04 1aov h ILE 46 Ca 0.46 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.29 1aov h ILE 46 Cb 0.70 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1aov h ILE 46 CO -0.41 0.00 -0.14 0.07 0.00 0.00 0.00 178.15 177.67 1aov h LYS 47 N -0.80 0.00 0.00 2.37 2.10 -0.20 0.37 116.57 120.41 1aov h LYS 47 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1aov h LYS 47 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 1aov h LYS 47 CO -0.06 0.14 0.00 0.00 -2.00 0.00 0.00 179.45 177.54 1aov n ALA 48 N -2.22 2.27 -0.07 0.07 0.00 0.35 -0.64 120.51 120.29 1aov n ALA 48 Ca -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 1aov n ALA 48 Cb 0.33 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.24 1aov n ALA 48 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1aov n ILE 49 N -1.33 0.90 0.13 0.00 5.41 0.04 -1.02 119.36 123.49 1aov n ILE 49 Ca 0.11 -0.59 -0.01 0.00 1.00 0.00 0.00 62.75 63.26 1aov n ILE 49 Cb 0.23 -0.54 0.20 0.00 -0.71 0.00 0.00 39.64 38.82 1aov n ILE 49 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1aov h SER 50 N 0.00 0.07 -3.20 4.38 4.64 -0.20 -3.37 113.55 115.86 1aov h SER 50 Ca -0.35 -0.03 -0.62 0.00 -0.47 0.00 0.00 61.79 60.31 1aov h SER 50 Cb 1.78 -0.02 -0.14 0.00 -0.31 0.00 0.00 62.40 63.71 1aov h SER 50 CO 0.02 0.60 -0.53 0.20 -0.87 0.00 0.00 176.83 176.25 1aov s ASN 51 N -6.88 5.88 -1.32 4.97 0.01 0.19 -4.98 114.94 112.81 1aov s ASN 51 Ca -0.02 0.18 -0.17 0.00 -0.71 0.00 0.00 52.86 52.14 1aov s ASN 51 Cb 0.13 -1.99 0.03 0.00 0.41 0.00 0.00 41.25 39.84 1aov s ASN 51 CO 0.76 0.22 1.94 -3.20 -1.51 0.00 0.00 177.10 175.31 1aov n ASN 52 N 3.25 4.27 -0.05 -1.22 5.15 -1.26 -4.20 115.26 121.20 1aov n ASN 52 Ca -0.17 -2.86 -0.02 0.00 -0.60 0.00 0.00 54.58 50.93 1aov n ASN 52 Cb 0.53 -1.68 -0.13 0.00 -0.53 0.00 0.00 39.78 37.97 1aov n ASN 52 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1aov n GLU 53 N 7.48 1.11 -4.03 1.20 4.71 -0.86 -5.06 120.64 125.19 1aov n GLU 53 Ca 0.50 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.16 57.49 1aov n GLU 53 Cb 0.43 -1.40 -0.06 0.00 -1.01 0.00 0.00 31.44 29.40 1aov n GLU 53 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1aov s ALA 54 N -2.67 0.03 0.00 0.62 0.00 -0.19 -4.94 121.76 114.62 1aov s ALA 54 Ca -0.07 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1aov s ALA 54 Cb 0.07 1.10 0.00 0.00 0.00 0.00 0.00 23.12 24.29 1aov s ALA 54 CO 0.66 -0.78 0.00 -0.25 0.00 0.00 0.00 175.76 175.39 1aov n ASP 55 N -0.34 4.99 -3.59 0.00 8.00 0.33 -4.39 116.55 121.55 1aov n ASP 55 Ca -0.02 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.38 1aov n ASP 55 Cb 0.63 0.56 -0.06 0.00 -0.02 0.00 0.00 41.12 42.23 1aov n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aov s ALA 56 N -2.00 -1.93 0.06 2.24 0.00 -1.15 -4.52 121.76 114.46 1aov s ALA 56 Ca 0.00 1.64 -0.15 0.00 0.00 0.00 0.00 51.96 53.45 1aov s ALA 56 Cb 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.30 1aov s ALA 56 CO 0.00 -0.29 0.35 0.96 0.00 0.00 0.00 175.76 176.78 1aov s ILE 57 N -0.80 0.07 -0.53 0.00 -4.36 -1.15 -1.41 121.20 113.03 1aov s ILE 57 Ca -0.01 -0.62 -0.19 0.00 -0.26 0.00 0.00 60.65 59.57 1aov s ILE 57 Cb -0.01 -1.02 0.07 0.00 1.25 0.00 0.00 42.46 42.74 1aov s ILE 57 CO 0.00 -0.34 0.67 -0.55 0.24 0.00 0.00 174.94 174.96 1aov s SER 58 N -2.25 6.22 0.40 4.36 0.15 -1.26 -0.83 113.70 120.49 1aov s SER 58 Ca -0.03 -1.00 0.03 0.00 0.70 0.00 0.00 55.95 55.66 1aov s SER 58 Cb 0.00 -2.30 -0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1aov s SER 58 CO -0.05 -0.98 0.57 -0.76 1.20 0.00 0.00 173.24 173.22 1aov s LEU 59 N 2.76 3.80 0.17 3.45 1.02 0.68 -4.90 118.68 125.66 1aov s LEU 59 Ca 0.15 0.04 -0.07 0.00 0.02 0.00 0.00 54.13 54.28 1aov s LEU 59 Cb -0.20 -2.95 -0.06 0.00 0.02 0.00 0.00 46.19 43.00 1aov s LEU 59 CO 0.11 -0.58 0.45 -0.62 0.02 0.00 0.00 176.35 175.73 1aov s ASP 60 N -4.20 6.56 0.12 2.29 2.15 -1.26 -2.35 116.67 119.98 1aov s ASP 60 Ca 0.47 0.73 -0.11 0.00 0.43 0.00 0.00 52.55 54.07 1aov s ASP 60 Cb -0.10 -2.15 0.10 0.00 -0.30 0.00 0.00 42.92 40.48 1aov s ASP 60 CO 0.35 0.01 0.86 0.61 -0.17 0.00 0.00 175.17 176.83 1aov n GLY 61 N 0.05 -1.20 0.18 2.66 0.00 -1.26 0.33 105.19 105.95 1aov n GLY 61 Ca -0.02 0.63 -0.07 0.00 0.00 0.00 0.00 46.02 46.56 1aov n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aov h GLY 62 N 0.00 0.36 0.66 -0.02 0.00 -1.95 -2.79 103.07 99.33 1aov h GLY 62 Ca 0.18 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1aov h GLY 62 CO -0.55 0.42 -0.00 1.46 0.00 0.00 0.00 176.54 177.87 1aov h GLN 63 N 0.24 0.03 -0.95 4.80 4.20 -0.50 -2.97 115.11 119.96 1aov h GLN 63 Ca -0.01 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.81 1aov h GLN 63 Cb 1.17 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.87 1aov h GLN 63 CO 0.10 0.37 0.61 -0.24 -0.67 0.00 0.00 178.83 179.00 1aov h VAL 64 N -0.31 0.92 -0.26 -0.54 3.04 -0.99 -0.56 116.25 117.55 1aov h VAL 64 Ca 0.00 -0.31 0.03 0.00 -1.01 0.00 0.00 66.70 65.41 1aov h VAL 64 Cb 0.36 -0.07 -0.05 0.00 -2.01 0.00 0.00 31.29 29.52 1aov h VAL 64 CO 0.00 0.17 -0.33 0.15 -1.01 0.00 0.00 177.57 176.55 1aov h PHE 65 N 0.91 -1.00 0.00 3.17 3.04 -1.33 -1.73 116.94 119.99 1aov h PHE 65 Ca 0.46 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.46 1aov h PHE 65 Cb 0.51 0.47 -0.00 0.00 2.56 0.00 0.00 35.95 39.49 1aov h PHE 65 CO -0.00 -0.28 -0.00 1.05 -2.02 0.00 0.00 178.31 177.06 1aov h GLU 66 N -0.22 0.00 0.00 1.11 4.11 -1.08 0.28 114.58 118.79 1aov h GLU 66 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.46 1aov h GLU 66 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1aov h GLU 66 CO -0.36 0.00 -0.09 0.00 0.07 0.00 0.00 179.01 178.63 1aov h ALA 67 N 2.00 1.26 0.00 1.06 0.00 -0.31 -1.26 119.26 122.01 1aov h ALA 67 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1aov h ALA 67 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1aov h ALA 67 CO 0.00 0.11 -0.13 0.41 0.00 0.00 0.00 179.25 179.65 1aov n GLY 68 N -0.71 -1.65 3.74 0.00 0.00 0.09 -1.80 105.19 104.85 1aov n GLY 68 Ca -0.02 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1aov n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aov s LEU 69 N -4.48 4.44 0.22 0.99 1.02 -0.48 -4.33 118.68 116.07 1aov s LEU 69 Ca 0.10 1.41 -0.31 0.00 0.02 0.00 0.00 54.13 55.35 1aov s LEU 69 Cb 0.12 -3.20 -0.15 0.00 0.02 0.00 0.00 46.19 42.99 1aov s LEU 69 CO 0.62 0.01 1.13 0.00 0.02 0.00 0.00 176.35 178.14 1aov n ALA 70 N 2.86 -0.36 0.85 4.21 0.00 -1.26 -2.17 120.51 124.65 1aov n ALA 70 Ca -0.03 0.43 0.11 0.00 0.00 0.00 0.00 53.44 53.96 1aov n ALA 70 Cb 0.50 -2.05 0.30 0.00 0.00 0.00 0.00 19.45 18.20 1aov n ALA 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1aov n PRO 71 N 1.41 2.08 -3.82 0.00 -0.04 -1.26 -5.02 135.00 128.36 1aov n PRO 71 Ca 0.13 -1.62 -0.36 0.00 -0.04 0.00 0.00 63.50 61.60 1aov n PRO 71 Cb 0.28 -1.45 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 1aov n PRO 71 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1aov s TYR 72 N -1.69 3.08 -0.48 0.54 1.51 -0.92 -4.99 117.35 114.40 1aov s TYR 72 Ca 0.35 -0.90 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 1aov s TYR 72 Cb 0.20 -2.19 0.13 0.00 -0.11 0.00 0.00 41.96 39.98 1aov s TYR 72 CO 0.29 -0.54 0.25 -1.59 -1.11 0.00 0.00 175.55 172.85 1aov s LYS 73 N 1.50 2.04 -0.07 -0.62 0.00 -1.26 -3.12 119.74 118.21 1aov s LYS 73 Ca 0.04 -2.21 -0.04 0.00 0.00 0.00 0.00 55.97 53.76 1aov s LYS 73 Cb -0.16 -3.49 -0.04 0.00 0.00 0.00 0.00 37.83 34.15 1aov s LYS 73 CO 0.01 -1.08 0.11 -0.51 0.00 0.00 0.00 175.35 173.87 1aov s LEU 74 N 0.44 4.11 0.15 2.77 1.43 -0.75 -4.22 118.68 122.61 1aov s LEU 74 Ca 0.13 0.31 0.10 0.00 -1.03 0.00 0.00 54.13 53.64 1aov s LEU 74 Cb -0.22 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1aov s LEU 74 CO -0.04 0.35 -0.23 -1.59 0.23 0.00 0.00 176.35 175.07 1aov s LYS 75 N -1.33 1.33 -0.31 1.70 -2.85 -0.43 -3.96 119.74 113.88 1aov s LYS 75 Ca 0.19 -1.36 -0.29 0.00 -1.00 0.00 0.00 55.97 53.51 1aov s LYS 75 Cb -0.12 -1.62 -0.00 0.00 -2.06 0.00 0.00 37.83 34.03 1aov s LYS 75 CO 0.09 0.36 1.37 -2.14 0.10 0.00 0.00 175.35 175.13 1aov s PRO 76 N -2.34 3.83 0.01 1.78 0.02 -1.26 -2.16 135.00 134.86 1aov s PRO 76 Ca 0.14 1.25 0.22 0.00 0.02 0.00 0.00 61.00 62.63 1aov s PRO 76 Cb -0.08 -3.93 -0.12 0.00 0.02 0.00 0.00 34.50 30.38 1aov s PRO 76 CO 0.07 -1.24 0.90 0.44 -0.33 0.00 0.00 177.00 176.84 1aov n ILE 77 N 6.42 0.04 -3.67 2.83 -5.35 -0.41 -4.74 119.36 114.48 1aov n ILE 77 Ca 0.16 -0.15 -0.12 0.00 -0.27 0.00 0.00 62.75 62.37 1aov n ILE 77 Cb 0.47 0.57 -0.09 0.00 -1.74 0.00 0.00 39.64 38.85 1aov n ILE 77 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1aov s ALA 78 N -3.14 -1.45 0.28 -1.28 0.00 -1.01 -0.91 121.76 114.25 1aov s ALA 78 Ca 0.04 1.78 0.06 0.00 0.00 0.00 0.00 51.96 53.84 1aov s ALA 78 Cb 0.15 -1.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.17 1aov s ALA 78 CO 0.85 -0.29 -0.03 0.00 0.00 0.00 0.00 175.76 176.29 1aov s ALA 79 N 0.78 2.28 0.49 0.00 0.00 -0.71 0.93 121.76 125.55 1aov s ALA 79 Ca -0.04 -1.92 -0.00 0.00 0.00 0.00 0.00 51.96 50.00 1aov s ALA 79 Cb -0.05 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.40 1aov s ALA 79 CO -0.06 -0.15 0.73 -1.21 0.00 0.00 0.00 175.76 175.07 1aov s GLU 80 N -3.78 2.92 0.04 0.00 2.02 -0.81 -1.47 118.70 117.62 1aov s GLU 80 Ca 0.31 -0.48 0.03 0.00 0.02 0.00 0.00 54.97 54.86 1aov s GLU 80 Cb 0.05 -2.50 -0.02 0.00 0.10 0.00 0.00 34.13 31.76 1aov s GLU 80 CO 0.12 -0.44 -0.11 0.08 0.02 0.00 0.00 175.26 174.94 1aov s VAL 81 N -2.67 0.80 0.00 2.63 1.01 -0.26 -4.47 120.40 117.43 1aov s VAL 81 Ca 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1aov s VAL 81 Cb -0.10 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1aov s VAL 81 CO 0.39 -0.18 0.00 -1.22 0.00 0.00 0.00 175.10 174.09 1aov n TYR 82 N 1.72 0.00 -1.52 5.22 4.01 -1.02 -2.19 117.16 123.39 1aov n TYR 82 Ca -0.20 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.25 1aov n TYR 82 Cb 0.55 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.69 1aov n TYR 82 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1aov s GLU 83 N -0.36 1.64 0.00 -0.72 2.02 -1.26 -4.86 118.70 115.15 1aov s GLU 83 Ca 0.00 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.50 1aov s GLU 83 Cb 0.00 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.35 1aov s GLU 83 CO 0.00 -1.90 0.00 2.89 0.02 0.00 0.00 175.26 176.27 1aov n ARG 84 N -3.60 0.00 -3.32 1.61 0.00 -1.26 -4.73 116.66 105.36 1aov n ARG 84 Ca 0.07 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.53 1aov n ARG 84 Cb 0.57 -0.10 -0.07 0.00 -0.00 0.00 0.00 32.46 32.86 1aov n ARG 84 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1aov s SER 85 N -2.85 6.54 0.00 2.89 0.01 -1.26 -4.12 113.70 114.92 1aov s SER 85 Ca 0.00 0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1aov s SER 85 Cb 0.00 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1aov s SER 85 CO 0.00 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1aov n GLY 86 N 3.75 2.06 0.00 3.44 0.00 -1.26 -4.96 105.19 108.23 1aov n GLY 86 Ca -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1aov n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aov n GLY 87 N 0.00 -1.53 3.37 -0.02 0.00 -1.26 -5.13 105.19 100.63 1aov n GLY 87 Ca 0.00 0.58 -0.10 0.00 0.00 0.00 0.00 46.02 46.50 1aov n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aov s SER 88 N -4.00 -0.02 0.09 1.61 1.04 -1.26 -4.26 113.70 106.90 1aov s SER 88 Ca 0.00 -0.80 -0.20 0.00 0.48 0.00 0.00 55.95 55.44 1aov s SER 88 Cb 0.00 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.63 1aov s SER 88 CO 0.00 -0.92 0.48 -0.89 0.98 0.00 0.00 173.24 172.88 1aov s THR 89 N -3.95 0.04 -0.19 2.02 2.01 -1.26 -4.76 115.64 109.56 1aov s THR 89 Ca 0.16 -0.35 0.12 0.00 0.31 0.00 0.00 61.69 61.93 1aov s THR 89 Cb 0.02 -1.04 0.42 0.00 0.01 0.00 0.00 72.50 71.92 1aov s THR 89 CO -0.01 -0.19 1.22 1.07 -0.69 0.00 0.00 174.62 176.02 1aov n THR 90 N 0.09 2.01 -3.83 -0.82 5.66 -1.26 -2.42 114.28 113.70 1aov n THR 90 Ca -0.17 -3.04 -0.06 0.00 -3.05 0.00 0.00 64.05 57.72 1aov n THR 90 Cb 0.62 -0.13 -0.01 0.00 -1.55 0.00 0.00 70.33 69.26 1aov n THR 90 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1aov s SER 91 N -3.13 -0.21 0.15 1.09 1.04 -1.26 -2.03 113.70 109.35 1aov s SER 91 Ca 0.38 -0.63 -0.25 0.00 0.48 0.00 0.00 55.95 55.93 1aov s SER 91 Cb 0.37 0.69 0.06 0.00 0.10 0.00 0.00 66.02 67.24 1aov s SER 91 CO -0.08 -1.28 0.83 -0.72 0.98 0.00 0.00 173.24 172.97 1aov s TYR 92 N -3.57 -0.26 -0.04 5.02 1.13 -1.26 -4.80 117.35 113.57 1aov s TYR 92 Ca 0.12 -0.03 -0.05 0.00 -1.41 0.00 0.00 57.07 55.70 1aov s TYR 92 Cb -0.05 0.62 0.01 0.00 -1.10 0.00 0.00 41.96 41.44 1aov s TYR 92 CO 0.06 -0.86 0.14 0.71 -2.51 0.00 0.00 175.55 173.10 1aov s TYR 93 N -3.46 -0.09 -0.06 -3.49 1.51 -1.26 0.72 117.35 111.21 1aov s TYR 93 Ca 0.09 0.22 -0.03 0.00 -1.01 0.00 0.00 57.07 56.33 1aov s TYR 93 Cb -0.02 0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.81 1aov s TYR 93 CO -0.02 -0.14 0.08 0.00 -1.11 0.00 0.00 175.55 174.37 1aov s ALA 94 N -0.37 3.62 0.28 3.71 0.00 -0.07 -0.87 121.76 128.06 1aov s ALA 94 Ca -0.05 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1aov s ALA 94 Cb -0.03 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 1aov s ALA 94 CO 0.01 0.64 0.09 0.14 0.00 0.00 0.00 175.76 176.64 1aov s VAL 95 N -1.06 0.73 -0.27 0.00 -7.23 0.88 -2.33 120.40 111.12 1aov s VAL 95 Ca 0.18 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.34 1aov s VAL 95 Cb -0.12 -2.67 0.04 0.00 0.56 0.00 0.00 36.38 34.19 1aov s VAL 95 CO 0.08 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.82 1aov s ALA 96 N -3.61 2.71 0.03 1.32 0.00 -1.26 -1.89 121.76 119.06 1aov s ALA 96 Ca 0.37 -1.63 -0.22 0.00 0.00 0.00 0.00 51.96 50.49 1aov s ALA 96 Cb 0.08 -1.75 -0.06 0.00 0.00 0.00 0.00 23.12 21.39 1aov s ALA 96 CO 0.14 -1.05 0.64 0.08 0.00 0.00 0.00 175.76 175.57 1aov s VAL 97 N 1.25 4.81 0.49 0.00 1.01 -0.49 -2.12 120.40 125.35 1aov s VAL 97 Ca -0.04 1.36 0.02 0.00 0.00 0.00 0.00 61.98 63.32 1aov s VAL 97 Cb -0.18 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1aov s VAL 97 CO -0.03 0.43 0.04 0.68 0.00 0.00 0.00 175.10 176.22 1aov s VAL 98 N -0.35 0.95 -0.14 2.92 -7.23 0.56 -2.02 120.40 115.09 1aov s VAL 98 Ca 0.33 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.44 1aov s VAL 98 Cb -0.19 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 1aov s VAL 98 CO 0.19 0.00 0.08 -0.54 -0.31 0.00 0.00 175.10 174.52 1aov s LYS 99 N -3.83 3.54 0.13 4.82 1.02 -1.26 -1.29 119.74 122.87 1aov s LYS 99 Ca 0.09 -0.27 -0.31 0.00 0.02 0.00 0.00 55.97 55.49 1aov s LYS 99 Cb 0.01 -3.11 -0.09 0.00 -0.52 0.00 0.00 37.83 34.13 1aov s LYS 99 CO 0.06 0.57 1.45 0.21 -0.92 0.00 0.00 175.35 176.72 1aov s LYS 100 N -0.46 4.28 0.00 1.68 2.20 0.71 -2.67 119.74 125.48 1aov s LYS 100 Ca 0.10 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 1aov s LYS 100 Cb -0.12 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1aov s LYS 100 CO 0.02 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 1aov n GLY 101 N 3.59 2.10 3.77 5.54 0.00 -1.26 -4.93 105.19 114.00 1aov n GLY 101 Ca 0.12 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 1aov n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aov s THR 102 N -1.07 3.37 -0.63 2.61 -4.23 -1.09 -4.96 115.64 109.65 1aov s THR 102 Ca 0.00 1.18 0.06 0.00 -1.18 0.00 0.00 61.69 61.75 1aov s THR 102 Cb 0.00 -3.68 0.25 0.00 1.34 0.00 0.00 72.50 70.42 1aov s THR 102 CO 0.00 0.14 0.75 0.47 -0.54 0.00 0.00 174.62 175.44 1aov n ASP 103 N 0.34 3.69 -4.08 3.99 8.00 -1.26 -4.89 116.55 122.33 1aov n ASP 103 Ca 0.03 -3.43 -0.17 0.00 0.71 0.00 0.00 54.79 51.92 1aov n ASP 103 Cb 0.47 -0.67 -0.13 0.00 -0.02 0.00 0.00 41.12 40.77 1aov n ASP 103 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1aov s PHE 104 N -2.48 0.92 0.45 1.24 -0.71 -1.26 -5.13 117.98 111.01 1aov s PHE 104 Ca 0.40 -0.34 0.00 0.00 -1.04 0.00 0.00 56.93 55.95 1aov s PHE 104 Cb 0.16 -0.55 -0.00 0.00 -1.21 0.00 0.00 43.02 41.42 1aov s PHE 104 CO -0.02 -0.01 0.00 -1.33 -1.34 0.00 0.00 175.22 172.52 1aov n MET 105 N 1.98 0.91 -0.40 1.99 2.81 -1.26 -4.99 117.12 118.15 1aov n MET 105 Ca -0.18 -3.29 0.35 0.00 -1.81 0.00 0.00 57.70 52.77 1aov n MET 105 Cb 0.55 0.88 0.68 0.00 -0.71 0.00 0.00 33.22 34.63 1aov n MET 105 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 1aov h ILE 106 N 1.23 0.32 0.00 2.02 2.10 -1.85 0.24 117.51 121.57 1aov h ILE 106 Ca -0.38 -0.04 -0.04 0.00 1.08 0.00 0.00 64.86 65.48 1aov h ILE 106 Cb 1.13 0.20 -0.01 0.00 -1.09 0.00 0.00 36.82 37.06 1aov h ILE 106 CO 0.62 0.02 -0.21 0.07 -1.08 0.00 0.00 178.15 177.58 1aov h LYS 107 N 0.11 0.00 -0.77 2.19 2.10 -1.95 -3.22 116.57 115.04 1aov h LYS 107 Ca 0.68 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.33 1aov h LYS 107 Cb 2.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.70 1aov h LYS 107 CO -0.16 0.21 0.00 -0.25 -2.00 0.00 0.00 179.45 177.25 1aov n ASP 108 N -3.65 2.73 0.00 7.07 8.00 0.07 -4.08 116.55 126.69 1aov n ASP 108 Ca -0.01 -2.33 0.11 0.00 0.71 0.00 0.00 54.79 53.27 1aov n ASP 108 Cb 0.33 -0.53 0.64 0.00 -0.02 0.00 0.00 41.12 41.55 1aov n ASP 108 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1aov n LEU 109 N 0.26 0.00 -4.61 0.64 4.77 -1.22 -4.78 117.00 112.07 1aov n LEU 109 Ca 0.11 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.66 1aov n LEU 109 Cb 0.58 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1aov n LEU 109 CO 0.12 0.00 1.26 -0.60 -1.33 0.00 0.00 177.39 176.84 1aov s ARG 110 N -2.00 3.63 -0.14 3.23 3.00 -1.26 -1.15 118.95 124.26 1aov s ARG 110 Ca 0.33 1.10 -0.00 0.00 -1.00 0.00 0.00 55.73 56.15 1aov s ARG 110 Cb 0.15 -4.02 -0.00 0.00 0.00 0.00 0.00 34.95 31.08 1aov s ARG 110 CO 0.25 -1.50 0.12 0.41 0.00 0.00 0.00 175.30 174.58 1aov n GLY 111 N 4.95 0.42 4.00 8.12 0.00 -0.01 -5.03 105.19 117.64 1aov n GLY 111 Ca 0.17 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 1aov n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aov s LYS 112 N -3.93 2.75 -0.14 1.61 3.01 -0.30 -4.50 119.74 118.23 1aov s LYS 112 Ca 0.01 -1.18 -0.09 0.00 -1.01 0.00 0.00 55.97 53.70 1aov s LYS 112 Cb -0.00 -2.71 -0.05 0.00 -1.01 0.00 0.00 37.83 34.07 1aov s LYS 112 CO 0.09 -0.38 0.17 -0.08 0.51 0.00 0.00 175.35 175.66 1aov s THR 113 N -2.44 5.42 0.11 2.17 -1.32 -1.26 -2.28 115.64 116.04 1aov s THR 113 Ca 0.56 0.29 0.08 0.00 -1.21 0.00 0.00 61.69 61.41 1aov s THR 113 Cb -0.10 -3.47 -0.04 0.00 -1.51 0.00 0.00 72.50 67.38 1aov s THR 113 CO 0.34 0.53 -0.20 -0.94 -2.21 0.00 0.00 174.62 172.14 1aov s SER 114 N -0.41 2.54 -0.08 8.08 1.04 -1.00 0.65 113.70 124.52 1aov s SER 114 Ca 0.13 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 55.88 1aov s SER 114 Cb -0.12 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 1aov s SER 114 CO 0.03 0.04 -0.18 0.00 0.98 0.00 0.00 173.24 174.10 1aov s HIS 116 N -0.12 1.75 -0.09 0.00 3.76 -0.96 -2.33 115.29 117.30 1aov s HIS 116 Ca -0.03 -1.26 -0.07 0.00 -0.15 0.00 0.00 55.06 53.55 1aov s HIS 116 Cb -0.14 -1.07 -0.27 0.00 1.11 0.00 0.00 32.58 32.21 1aov s HIS 116 CO 0.04 -0.33 0.49 1.79 -0.85 0.00 0.00 174.74 175.88 1aov h THR 117 N 1.99 0.75 0.00 1.30 1.35 -1.75 -3.39 112.91 113.16 1aov h THR 117 Ca -0.35 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 1aov h THR 117 Cb 1.26 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 1aov h THR 117 CO 0.57 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 177.32 1aov n GLY 118 N 1.92 0.76 3.76 5.82 0.00 -1.26 -0.30 105.19 115.89 1aov n GLY 118 Ca -0.28 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 1aov n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1aov s LEU 119 N 0.00 4.58 -0.97 0.99 2.96 -0.44 -3.57 118.68 122.23 1aov s LEU 119 Ca 0.00 2.17 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 1aov s LEU 119 Cb 0.00 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1aov s LEU 119 CO 0.00 -0.05 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 1aov n GLY 120 N 1.29 0.01 3.75 7.98 0.00 -1.26 -5.02 105.19 111.95 1aov n GLY 120 Ca -0.01 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 1aov n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aov s ARG 121 N -4.43 3.28 0.06 1.61 0.52 -1.23 -4.95 118.95 113.80 1aov s ARG 121 Ca 0.00 -0.29 -0.32 0.00 -0.52 0.00 0.00 55.73 54.60 1aov s ARG 121 Cb 0.00 -3.00 -0.18 0.00 0.52 0.00 0.00 34.95 32.29 1aov s ARG 121 CO 0.00 0.68 1.54 0.77 0.02 0.00 0.00 175.30 178.31 1aov h SER 122 N 5.27 -0.74 -0.81 0.23 0.02 -1.95 0.30 113.55 115.88 1aov h SER 122 Ca -0.51 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.55 1aov h SER 122 Cb 1.20 0.19 -0.08 0.00 0.14 0.00 0.00 62.40 63.86 1aov h SER 122 CO 0.58 -0.48 0.44 0.00 -1.14 0.00 0.00 176.83 176.23 1aov h ALA 123 N -0.61 1.16 -0.02 3.77 0.00 -1.94 -1.81 119.26 119.80 1aov h ALA 123 Ca -0.09 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1aov h ALA 123 Cb 0.69 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1aov h ALA 123 CO 0.15 0.04 -0.03 0.41 0.00 0.00 0.00 179.25 179.81 1aov n GLY 124 N -1.32 0.25 1.75 0.00 0.00 -1.23 -4.30 105.19 100.35 1aov n GLY 124 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1aov n GLY 124 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1aov n TRP 125 N 0.86 -1.25 0.01 1.61 -0.00 0.98 -4.23 117.44 115.42 1aov n TRP 125 Ca 0.10 0.22 -0.11 0.00 -0.00 0.00 0.00 57.50 57.71 1aov n TRP 125 Cb 0.42 0.42 -0.05 0.00 -0.00 0.00 0.00 31.31 32.09 1aov n TRP 125 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1aov h ASN 126 N 0.00 -0.02 0.04 5.87 -0.26 -0.98 -0.72 115.58 119.51 1aov h ASN 126 Ca 0.00 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1aov h ASN 126 Cb 0.00 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 1aov h ASN 126 CO 0.00 0.00 -0.02 0.40 -1.06 0.00 0.00 177.43 176.76 1aov h ILE 127 N 0.03 0.00 0.05 2.81 1.08 -1.60 -1.73 117.51 118.14 1aov h ILE 127 Ca 0.04 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1aov h ILE 127 Cb 0.04 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.79 1aov h ILE 127 CO -0.06 0.00 -0.02 1.55 -0.69 0.00 0.00 178.15 178.93 1aov h PRO 128 N -0.05 -0.06 -0.24 2.37 0.13 -1.78 -1.28 132.00 131.10 1aov h PRO 128 Ca -0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1aov h PRO 128 Cb 0.04 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.16 1aov h PRO 128 CO 0.01 0.09 0.14 0.82 -0.23 0.00 0.00 178.00 178.82 1aov h ILE 129 N -0.19 1.03 -0.13 -3.56 1.08 -1.25 -0.09 117.51 114.39 1aov h ILE 129 Ca -0.01 -0.10 -0.08 0.00 -0.39 0.00 0.00 64.86 64.28 1aov h ILE 129 Cb 0.17 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 1aov h ILE 129 CO 0.01 0.05 -0.29 1.23 -0.69 0.00 0.00 178.15 178.46 1aov h GLY 130 N 0.29 0.26 0.46 5.37 0.00 -0.96 0.26 103.07 108.75 1aov h GLY 130 Ca 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1aov h GLY 130 CO -0.04 0.19 -0.27 -0.84 0.00 0.00 0.00 176.54 175.58 1aov h THR 131 N 0.21 0.00 -0.18 4.70 2.02 -0.93 -0.29 112.91 118.45 1aov h THR 131 Ca 0.03 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.26 1aov h THR 131 Cb 0.62 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1aov h THR 131 CO 0.05 0.00 0.25 -0.07 0.37 0.00 0.00 175.52 176.12 1aov h LEU 132 N -0.68 0.00 0.31 2.58 3.38 -0.63 0.34 115.31 120.62 1aov h LEU 132 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1aov h LEU 132 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1aov h LEU 132 CO 0.08 0.00 -0.15 0.40 0.09 0.00 0.00 178.44 178.86 1aov h ILE 133 N 0.00 0.00 -0.55 1.22 2.04 -0.34 -1.04 117.51 118.85 1aov h ILE 133 Ca 0.08 -0.56 0.10 0.00 1.00 0.00 0.00 64.86 65.49 1aov h ILE 133 Cb 0.59 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1aov h ILE 133 CO -0.00 0.00 0.37 0.45 0.00 0.00 0.00 178.15 178.97 1aov h HIS 134 N -0.98 0.33 0.14 1.37 3.86 0.15 -2.28 115.15 117.74 1aov h HIS 134 Ca -0.04 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1aov h HIS 134 Cb 0.32 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1aov h HIS 134 CO 0.01 0.15 -0.07 0.00 0.86 0.00 0.00 177.93 178.89 1aov h ARG 135 N 0.31 -0.19 0.00 2.45 3.08 -1.31 -3.21 114.38 115.51 1aov h ARG 135 Ca 0.26 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1aov h ARG 135 Cb 0.60 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1aov h ARG 135 CO -0.06 0.01 0.00 -1.91 -1.07 0.00 0.00 179.97 176.94 1aov n GLU 136 N -5.10 0.00 -0.13 0.04 4.07 -0.86 -3.68 120.64 114.98 1aov n GLU 136 Ca -0.09 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.03 1aov n GLU 136 Cb 0.16 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.59 1aov n GLU 136 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1aov n ASP 137 N 0.00 -0.14 -4.32 4.31 8.00 -1.18 -1.87 116.55 121.35 1aov n ASP 137 Ca 0.00 0.60 -0.42 0.00 0.71 0.00 0.00 54.79 55.68 1aov n ASP 137 Cb 0.00 -0.18 -0.09 0.00 -0.02 0.00 0.00 41.12 40.83 1aov n ASP 137 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1aov s ILE 138 N -5.43 4.67 -1.45 0.53 1.01 -0.40 -4.93 121.20 115.20 1aov s ILE 138 Ca -0.05 -1.23 -0.14 0.00 0.00 0.00 0.00 60.65 59.22 1aov s ILE 138 Cb 0.09 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.79 1aov s ILE 138 CO 0.27 -0.52 2.19 -0.62 0.00 0.00 0.00 174.94 176.26 1aov n GLU 139 N 5.04 2.87 -3.48 2.79 1.02 -0.78 -4.21 120.64 123.90 1aov n GLU 139 Ca -0.11 -2.65 -0.43 0.00 -0.02 0.00 0.00 57.16 53.96 1aov n GLU 139 Cb 0.43 -3.30 -0.07 0.00 -0.02 0.00 0.00 31.44 28.47 1aov n GLU 139 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1aov s TRP 140 N 3.28 3.36 -0.29 -0.32 -0.00 -1.26 -4.99 118.94 118.72 1aov s TRP 140 Ca 0.48 -1.64 -0.00 0.00 -0.00 0.00 0.00 56.10 54.93 1aov s TRP 140 Cb 0.13 -3.55 0.09 0.00 -0.00 0.00 0.00 33.47 30.15 1aov s TRP 140 CO -0.08 -0.99 0.07 -2.00 -0.00 0.00 0.00 176.95 173.95 1aov s GLU 141 N 1.45 0.92 0.00 5.86 2.12 -1.26 -1.45 118.70 126.34 1aov s GLU 141 Ca 0.05 -1.11 0.00 0.00 0.36 0.00 0.00 54.97 54.27 1aov s GLU 141 Cb -0.27 -2.24 0.00 0.00 0.26 0.00 0.00 34.13 31.88 1aov s GLU 141 CO 0.01 -0.90 0.00 0.41 -0.54 0.00 0.00 175.26 174.24 1aov n GLY 142 N 4.76 0.74 3.55 -1.50 0.00 -0.60 -4.95 105.19 107.18 1aov n GLY 142 Ca -0.03 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 1aov n GLY 142 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1aov s ILE 143 N -2.17 4.44 -0.11 -0.61 2.07 -1.26 -4.53 121.20 119.03 1aov s ILE 143 Ca 0.00 0.53 -0.07 0.00 -1.41 0.00 0.00 60.65 59.70 1aov s ILE 143 Cb 0.00 -4.48 -0.05 0.00 0.13 0.00 0.00 42.46 38.06 1aov s ILE 143 CO 0.00 -0.96 -0.16 -0.62 -1.91 0.00 0.00 174.94 171.29 1aov n GLU 144 N 7.29 0.26 -2.69 3.50 -0.58 -1.26 -4.85 120.64 122.32 1aov n GLU 144 Ca 0.04 0.11 -0.06 0.00 -0.42 0.00 0.00 57.16 56.84 1aov n GLU 144 Cb 0.48 -0.95 0.08 0.00 -0.57 0.00 0.00 31.44 30.48 1aov n GLU 144 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1aov n SER 145 N -3.62 -1.68 -4.64 1.62 2.88 -1.26 -5.13 113.62 101.79 1aov n SER 145 Ca -0.22 -2.32 -0.34 0.00 -1.33 0.00 0.00 58.87 54.65 1aov n SER 145 Cb 0.61 1.13 -0.10 0.00 -0.75 0.00 0.00 64.21 65.10 1aov n SER 145 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1aov s GLY 146 N -0.83 1.78 0.34 0.46 0.00 -1.26 -5.07 107.32 102.73 1aov s GLY 146 Ca 0.16 -0.85 -0.28 0.00 0.00 0.00 0.00 44.72 43.76 1aov s GLY 146 CO -0.07 -0.61 1.25 -0.42 0.00 0.00 0.00 173.10 173.24 1aov s ILE 147 N -0.85 2.91 0.00 0.90 1.01 -1.26 -4.86 121.20 119.05 1aov s ILE 147 Ca 0.13 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.67 1aov s ILE 147 Cb -0.11 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1aov s ILE 147 CO 0.02 0.19 0.00 -1.54 0.00 0.00 0.00 174.94 173.61 1aov n SER 148 N 0.73 0.00 -0.29 3.58 3.41 -1.26 -4.97 113.62 114.82 1aov n SER 148 Ca 0.01 0.00 0.22 0.00 -0.26 0.00 0.00 58.87 58.83 1aov n SER 148 Cb 0.43 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.79 1aov n SER 148 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1aov n GLU 149 N 0.00 -0.06 -1.05 4.33 0.00 -1.26 -0.22 120.64 122.38 1aov n GLU 149 Ca 0.00 1.23 -0.18 0.00 0.00 0.00 0.00 57.16 58.22 1aov n GLU 149 Cb 0.00 -2.11 -0.01 0.00 0.00 0.00 0.00 31.44 29.32 1aov n GLU 149 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1aov n GLN 150 N -5.07 1.93 0.00 5.31 3.00 -1.26 -3.72 117.38 117.56 1aov n GLN 150 Ca 0.28 -1.60 0.14 0.00 -0.01 0.00 0.00 57.00 55.80 1aov n GLN 150 Cb 0.93 -1.75 0.54 0.00 0.00 0.00 0.00 30.24 29.95 1aov n GLN 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1aov n ALA 151 N 0.82 2.62 0.32 -1.58 0.00 0.69 -3.70 120.51 119.68 1aov n ALA 151 Ca 0.34 -0.16 0.20 0.00 0.00 0.00 0.00 53.44 53.82 1aov n ALA 151 Cb 0.60 -1.39 1.06 0.00 0.00 0.00 0.00 19.45 19.72 1aov n ALA 151 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1aov h VAL 152 N 0.01 0.15 -1.00 0.00 -1.51 -1.84 0.49 116.25 112.55 1aov h VAL 152 Ca 0.00 0.00 0.29 0.00 -1.23 0.00 0.00 66.70 65.76 1aov h VAL 152 Cb 0.49 0.93 -0.14 0.00 -2.13 0.00 0.00 31.29 30.44 1aov h VAL 152 CO 0.00 0.00 0.57 0.00 -1.23 0.00 0.00 177.57 176.91 1aov h ALA 153 N 1.86 1.88 -0.00 5.19 0.00 -1.77 0.24 119.26 126.66 1aov h ALA 153 Ca 0.01 0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1aov h ALA 153 Cb 0.17 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1aov h ALA 153 CO -0.00 -0.46 -0.57 0.87 0.00 0.00 0.00 179.25 179.09 1aov h LYS 154 N 0.41 0.00 0.00 0.00 6.56 -1.19 -3.34 116.57 119.02 1aov h LYS 154 Ca 0.70 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 60.29 1aov h LYS 154 Cb 1.51 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.17 1aov h LYS 154 CO -0.56 0.57 -0.00 0.35 -2.06 0.00 0.00 179.45 177.75 1aov h PHE 155 N 0.00 0.00 -3.27 -1.35 3.57 -0.79 -3.47 116.94 111.63 1aov h PHE 155 Ca -0.01 0.00 -0.66 0.00 3.53 0.00 0.00 57.97 60.83 1aov h PHE 155 Cb 1.01 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 39.59 1aov h PHE 155 CO 0.00 0.68 -0.61 -0.06 -2.23 0.00 0.00 178.31 176.08 1aov s PHE 156 N -2.00 3.18 0.49 0.41 0.08 0.56 -0.83 117.98 119.87 1aov s PHE 156 Ca -0.13 0.12 0.22 0.00 0.12 0.00 0.00 56.93 57.26 1aov s PHE 156 Cb -0.02 -1.87 1.38 0.00 -0.57 0.00 0.00 43.02 41.94 1aov s PHE 156 CO 0.47 0.36 2.11 0.66 -0.10 0.00 0.00 175.22 178.72 1aov h SER 157 N 5.60 0.00 -4.17 1.36 4.64 -1.68 -3.40 113.55 115.91 1aov h SER 157 Ca -0.46 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.08 1aov h SER 157 Cb 1.19 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.08 1aov h SER 157 CO 0.58 0.08 0.77 0.00 -0.87 0.00 0.00 176.83 177.40 1aov s ALA 158 N -4.61 -2.04 0.34 5.18 0.00 -1.25 -4.94 121.76 114.44 1aov s ALA 158 Ca -0.04 1.56 -0.18 0.00 0.00 0.00 0.00 51.96 53.31 1aov s ALA 158 Cb 0.15 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.09 1aov s ALA 158 CO 0.63 -0.55 0.81 -1.12 0.00 0.00 0.00 175.76 175.52 1aov s SER 159 N -2.02 -0.05 -0.20 0.00 0.01 -0.42 -2.38 113.70 108.65 1aov s SER 159 Ca 0.08 -0.99 -0.02 0.00 1.31 0.00 0.00 55.95 56.33 1aov s SER 159 Cb -0.01 0.79 0.06 0.00 0.21 0.00 0.00 66.02 67.07 1aov s SER 159 CO -0.05 -1.54 0.01 0.00 0.41 0.00 0.00 173.24 172.07 1aov s VAL 161 N 1.76 1.17 0.33 0.00 1.01 0.19 -2.26 120.40 122.59 1aov s VAL 161 Ca -0.02 -1.52 -0.29 0.00 0.00 0.00 0.00 61.98 60.15 1aov s VAL 161 Cb -0.17 -1.83 -0.12 0.00 0.00 0.00 0.00 36.38 34.26 1aov s VAL 161 CO -0.07 -0.60 1.48 -2.65 0.00 0.00 0.00 175.10 173.26 1aov n PRO 162 N 4.73 2.52 -1.24 2.72 -0.02 -1.26 -3.58 135.00 138.88 1aov n PRO 162 Ca -0.02 0.89 -0.08 0.00 -2.02 0.00 0.00 63.50 62.27 1aov n PRO 162 Cb 0.42 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.26 1aov n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aov n GLY 163 N 1.30 1.01 3.79 -1.23 0.00 -0.38 -1.33 105.19 108.34 1aov n GLY 163 Ca 0.06 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 1aov n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aov s ALA 164 N -2.29 3.69 -0.08 4.61 0.00 -1.23 -4.82 121.76 121.63 1aov s ALA 164 Ca 0.00 -0.46 0.13 0.00 0.00 0.00 0.00 51.96 51.63 1aov s ALA 164 Cb 0.00 -2.28 0.27 0.00 0.00 0.00 0.00 23.12 21.11 1aov s ALA 164 CO 0.00 0.30 1.13 0.25 0.00 0.00 0.00 175.76 177.44 1aov n THR 165 N 2.82 0.97 -0.00 0.00 -2.24 -1.26 -4.83 114.28 109.74 1aov n THR 165 Ca -0.14 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.11 1aov n THR 165 Cb 0.53 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1aov n THR 165 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1aov n ILE 166 N -0.51 0.00 -4.00 2.28 -0.00 -1.26 -5.05 119.36 110.82 1aov n ILE 166 Ca 0.10 -0.46 -0.03 0.00 -0.00 0.00 0.00 62.75 62.36 1aov n ILE 166 Cb 0.79 1.00 -0.01 0.00 -0.00 0.00 0.00 39.64 41.42 1aov n ILE 166 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1aov n GLU 167 N -0.90 0.07 0.00 6.28 -0.58 -1.26 -5.08 120.64 119.18 1aov n GLU 167 Ca 0.00 -0.50 0.00 0.00 -0.42 0.00 0.00 57.16 56.24 1aov n GLU 167 Cb 0.00 0.42 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 1aov n GLU 167 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1aov n GLN 168 N -0.10 0.21 0.27 3.49 1.13 -1.26 -4.74 117.38 116.38 1aov n GLN 168 Ca 0.01 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.18 1aov n GLN 168 Cb 0.09 -0.73 0.75 0.00 0.11 0.00 0.00 30.24 30.46 1aov n GLN 168 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1aov h LYS 169 N 0.00 0.00 0.00 -1.09 1.57 -1.92 0.14 116.57 115.27 1aov h LYS 169 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1aov h LYS 169 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1aov h LYS 169 CO 0.00 0.01 -0.09 -0.07 -0.57 0.00 0.00 179.45 178.73 1aov h LEU 170 N 0.00 0.00 0.00 2.94 3.38 -1.89 -0.98 115.31 118.76 1aov h LEU 170 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1aov h LEU 170 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1aov h LEU 170 CO 0.00 0.09 -1.26 0.00 0.09 0.00 0.00 178.44 177.35 1aov h ARG 172 N 0.00 -0.15 -0.25 0.00 2.43 -0.84 -2.44 114.38 113.13 1aov h ARG 172 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1aov h ARG 172 Cb 0.82 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1aov h ARG 172 CO 0.00 -0.10 0.00 1.04 -1.51 0.00 0.00 179.97 179.40 1aov n GLN 173 N -5.38 1.08 -2.90 0.20 1.13 -0.53 -4.86 117.38 106.13 1aov n GLN 173 Ca 0.02 -0.10 -0.41 0.00 -1.94 0.00 0.00 57.00 54.57 1aov n GLN 173 Cb 0.29 -1.14 -0.04 0.00 0.11 0.00 0.00 30.24 29.47 1aov n GLN 173 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aov s LYS 175 N 0.85 4.16 0.00 0.00 2.20 -1.26 -4.85 119.74 120.84 1aov s LYS 175 Ca 0.44 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.27 1aov s LYS 175 Cb -0.19 -2.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 1aov s LYS 175 CO 0.23 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.53 1aov n GLY 176 N -0.38 0.60 0.00 5.54 0.00 -1.26 -4.39 105.19 105.30 1aov n GLY 176 Ca 0.07 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1aov n GLY 176 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aov n ASP 177 N 0.00 0.00 0.17 1.61 9.92 -1.26 -4.94 116.55 122.05 1aov n ASP 177 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1aov n ASP 177 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1aov n ASP 177 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aov n ALA 178 N -3.00 0.00 0.02 2.24 0.00 -1.26 -4.78 120.51 113.73 1aov n ALA 178 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1aov n ALA 178 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1aov n ALA 178 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1aov h LYS 179 N 0.00 0.02 0.00 0.00 3.64 -2.01 -3.12 116.57 115.09 1aov h LYS 179 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1aov h LYS 179 Cb 0.00 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1aov h LYS 179 CO 0.00 0.12 0.00 1.79 -2.27 0.00 0.00 179.45 179.09 1aov h THR 180 N -0.09 0.00 0.00 1.00 1.35 -1.96 -3.36 112.91 109.84 1aov h THR 180 Ca 0.00 -0.86 -0.04 0.00 -0.55 0.00 0.00 66.41 64.97 1aov h THR 180 Cb 0.11 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1aov h THR 180 CO -0.00 0.00 -0.18 0.07 -0.25 0.00 0.00 175.52 175.16 1aov h LYS 181 N 0.00 0.00 -0.77 4.72 2.10 -1.75 -0.58 116.57 120.29 1aov h LYS 181 Ca 0.00 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.18 1aov h LYS 181 Cb 0.89 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.95 1aov h LYS 181 CO 0.00 0.18 0.29 0.00 -2.00 0.00 0.00 179.45 177.92 1aov s LEU 183 N -3.48 4.03 0.48 0.00 1.43 -0.23 -1.25 118.68 119.66 1aov s LEU 183 Ca 0.55 0.94 0.23 0.00 -1.03 0.00 0.00 54.13 54.82 1aov s LEU 183 Cb 0.46 -3.76 1.25 0.00 0.03 0.00 0.00 46.19 44.17 1aov s LEU 183 CO 0.03 -0.21 1.67 0.03 0.23 0.00 0.00 176.35 178.10 1aov h ARG 184 N 1.89 0.00 -0.02 1.70 3.08 -1.88 0.80 114.38 119.95 1aov h ARG 184 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1aov h ARG 184 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1aov h ARG 184 CO 0.66 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.83 1aov n ASN 185 N -2.47 1.40 -4.65 7.04 0.23 -1.26 -4.71 115.26 110.83 1aov n ASN 185 Ca -0.02 -1.26 -0.49 0.00 -0.53 0.00 0.00 54.58 52.29 1aov n ASN 185 Cb 0.28 -0.01 -0.05 0.00 -2.08 0.00 0.00 39.78 37.92 1aov n ASN 185 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1aov n GLY 186 N 0.10 0.94 0.01 4.83 0.00 0.28 -4.76 105.19 106.58 1aov n GLY 186 Ca 0.02 0.71 0.01 0.00 0.00 0.00 0.00 46.02 46.75 1aov n GLY 186 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aov n PRO 187 N 3.61 0.01 -0.28 1.61 -0.04 -1.26 -0.56 135.00 138.09 1aov n PRO 187 Ca 0.19 0.46 0.06 0.00 -0.04 0.00 0.00 63.50 64.16 1aov n PRO 187 Cb 0.25 -1.57 0.19 0.00 -0.04 0.00 0.00 33.50 32.33 1aov n PRO 187 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1aov n TYR 188 N -1.49 0.69 -2.59 0.54 4.01 -1.26 -4.54 117.16 112.51 1aov n TYR 188 Ca -0.00 -0.30 -0.27 0.00 -0.16 0.00 0.00 57.90 57.17 1aov n TYR 188 Cb 0.05 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 1aov n TYR 188 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1aov s SER 189 N -0.85 6.24 0.49 7.72 1.04 0.27 -1.37 113.70 127.24 1aov s SER 189 Ca 0.27 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.65 1aov s SER 189 Cb 0.16 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 64.04 1aov s SER 189 CO 0.16 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1aov n GLY 190 N -2.30 -1.44 0.00 7.32 0.00 0.59 -3.39 105.19 105.98 1aov n GLY 190 Ca 0.01 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1aov n GLY 190 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1aov n TYR 191 N -0.91 0.00 -0.44 1.61 4.01 -1.26 -1.93 117.16 118.24 1aov n TYR 191 Ca 0.00 0.00 0.38 0.00 -0.16 0.00 0.00 57.90 58.12 1aov n TYR 191 Cb 0.00 -0.18 0.66 0.00 -0.31 0.00 0.00 39.34 39.50 1aov n TYR 191 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1aov h SER 192 N 0.00 0.23 0.02 7.72 0.02 -1.95 -0.66 113.55 118.93 1aov h SER 192 Ca 0.00 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1aov h SER 192 Cb 0.00 0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1aov h SER 192 CO 0.00 -0.30 -0.01 1.23 -1.14 0.00 0.00 176.83 176.61 1aov h GLY 193 N 0.01 -0.03 0.99 -3.77 0.00 -1.56 0.14 103.07 98.85 1aov h GLY 193 Ca 0.87 0.01 0.03 0.00 0.00 0.00 0.00 47.33 48.24 1aov h GLY 193 CO -0.54 -0.01 0.61 0.00 0.00 0.00 0.00 176.54 176.60 1aov h ALA 194 N 0.61 1.40 -0.05 3.60 0.00 0.12 -0.92 119.26 124.03 1aov h ALA 194 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1aov h ALA 194 Cb 0.34 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1aov h ALA 194 CO 0.00 0.52 0.01 0.35 0.00 0.00 0.00 179.25 180.13 1aov h PHE 195 N 1.18 0.08 -0.87 0.00 3.57 -0.74 -3.06 116.94 117.09 1aov h PHE 195 Ca 0.36 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.93 1aov h PHE 195 Cb -0.02 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 1aov h PHE 195 CO -0.00 0.28 0.57 0.37 -2.23 0.00 0.00 178.31 177.30 1aov h GLN 196 N -0.15 0.90 -0.57 1.11 5.75 -0.05 -1.50 115.11 120.61 1aov h GLN 196 Ca 0.01 -0.05 0.12 0.00 -0.15 0.00 0.00 58.65 58.58 1aov h GLN 196 Cb 0.24 -0.20 -0.10 0.00 1.07 0.00 0.00 27.48 28.48 1aov h GLN 196 CO 0.00 0.60 -0.07 0.00 -2.65 0.00 0.00 178.83 176.70 1aov h LEU 198 N 0.05 0.56 -1.78 0.00 5.85 -1.24 0.99 115.31 119.75 1aov h LEU 198 Ca 0.28 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1aov h LEU 198 Cb 0.45 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1aov h LEU 198 CO -0.54 0.59 -0.05 0.50 -0.34 0.00 0.00 178.44 178.60 1aov h LYS 199 N 0.49 0.00 -0.34 1.25 3.64 0.19 -0.90 116.57 120.90 1aov h LYS 199 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1aov h LYS 199 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1aov h LYS 199 CO -0.01 0.05 0.00 -0.25 -2.27 0.00 0.00 179.45 176.97 1aov n ASP 200 N -3.22 1.63 -1.61 4.20 8.00 0.34 -4.84 116.55 121.06 1aov n ASP 200 Ca -0.01 -2.03 -0.20 0.00 0.71 0.00 0.00 54.79 53.26 1aov n ASP 200 Cb 0.27 -0.23 -0.09 0.00 -0.02 0.00 0.00 41.12 41.06 1aov n ASP 200 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aov n GLY 201 N 0.88 1.90 0.75 0.44 0.00 -0.34 -4.81 105.19 104.00 1aov n GLY 201 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.22 1aov n GLY 201 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aov n LYS 202 N -2.36 1.97 -1.40 1.61 4.76 -0.23 -4.93 118.16 117.59 1aov n LYS 202 Ca -0.20 -1.47 0.00 0.00 -2.87 0.00 0.00 58.31 53.76 1aov n LYS 202 Cb 0.67 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 1aov n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aov n GLY 203 N 1.24 4.35 0.00 0.72 0.00 -1.24 -4.74 105.19 105.51 1aov n GLY 203 Ca 0.17 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1aov n GLY 203 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aov n ASP 204 N -2.09 2.22 -3.73 1.61 8.00 0.21 -4.73 116.55 118.03 1aov n ASP 204 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1aov n ASP 204 Cb 0.00 0.41 -0.13 0.00 -0.02 0.00 0.00 41.12 41.37 1aov n ASP 204 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1aov s VAL 205 N -0.98 -0.06 -0.24 2.53 -7.23 -1.19 -4.42 120.40 108.81 1aov s VAL 205 Ca 0.00 0.16 -0.06 0.00 -1.81 0.00 0.00 61.98 60.27 1aov s VAL 205 Cb 0.00 -0.35 -0.02 0.00 0.56 0.00 0.00 36.38 36.56 1aov s VAL 205 CO 0.00 0.07 0.03 0.00 -0.31 0.00 0.00 175.10 174.89 1aov s ALA 206 N 1.31 3.05 -0.47 1.32 0.00 -0.86 -0.81 121.76 125.31 1aov s ALA 206 Ca -0.09 -1.13 -0.27 0.00 0.00 0.00 0.00 51.96 50.47 1aov s ALA 206 Cb -0.11 -1.95 0.03 0.00 0.00 0.00 0.00 23.12 21.09 1aov s ALA 206 CO -0.08 -0.45 1.00 -0.06 0.00 0.00 0.00 175.76 176.17 1aov s PHE 207 N 1.54 2.88 0.00 0.00 0.08 -0.98 -1.40 117.98 120.10 1aov s PHE 207 Ca 0.06 0.51 0.00 0.00 0.12 0.00 0.00 56.93 57.61 1aov s PHE 207 Cb -0.15 -4.14 0.00 0.00 -0.57 0.00 0.00 43.02 38.16 1aov s PHE 207 CO 0.01 -1.16 0.00 1.33 -0.10 0.00 0.00 175.22 175.30 1aov n VAL 208 N 6.58 0.00 -3.78 -0.44 0.24 -0.79 -4.24 118.33 115.90 1aov n VAL 208 Ca 0.08 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.17 1aov n VAL 208 Cb 0.49 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.84 1aov n VAL 208 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1aov s LYS 209 N 0.42 3.37 0.16 7.34 -2.85 -1.26 -0.08 119.74 126.84 1aov s LYS 209 Ca 0.00 -0.76 -0.16 0.00 -1.00 0.00 0.00 55.97 54.05 1aov s LYS 209 Cb 0.00 -2.84 0.10 0.00 -2.06 0.00 0.00 37.83 33.02 1aov s LYS 209 CO 0.00 0.30 1.71 1.12 0.10 0.00 0.00 175.35 178.59 1aov h HIS 210 N 1.05 0.05 0.00 1.78 2.07 -1.32 -3.29 115.15 115.48 1aov h HIS 210 Ca -0.50 0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.04 1aov h HIS 210 Cb 1.24 0.04 -0.00 0.00 2.57 0.00 0.00 27.41 31.25 1aov h HIS 210 CO 0.45 -0.03 -0.01 1.79 -3.07 0.00 0.00 177.93 177.06 1aov h THR 211 N 0.15 0.22 -0.94 6.12 1.35 -1.97 -3.04 112.91 114.79 1aov h THR 211 Ca 0.19 -0.04 0.20 0.00 -0.55 0.00 0.00 66.41 66.21 1aov h THR 211 Cb 0.24 1.03 -0.11 0.00 -1.73 0.00 0.00 68.15 67.58 1aov h THR 211 CO -0.28 0.01 0.51 0.74 -0.25 0.00 0.00 175.52 176.25 1aov h THR 212 N 0.00 0.61 -0.24 6.82 2.02 -1.98 0.14 112.91 120.28 1aov h THR 212 Ca -0.00 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 1aov h THR 212 Cb 0.03 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 1aov h THR 212 CO 0.00 0.11 -0.33 0.58 0.37 0.00 0.00 175.52 176.25 1aov h VAL 213 N 0.59 1.28 -0.30 3.16 2.07 -1.80 0.25 116.25 121.50 1aov h VAL 213 Ca 0.56 -1.42 -0.14 0.00 0.82 0.00 0.00 66.70 66.52 1aov h VAL 213 Cb 0.96 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1aov h VAL 213 CO -0.44 0.45 -0.39 -0.61 0.02 0.00 0.00 177.57 176.60 1aov h GLN 214 N 0.43 0.70 -0.41 1.57 5.75 -1.25 -0.74 115.11 121.16 1aov h GLN 214 Ca 0.05 -0.36 -0.14 0.00 -0.15 0.00 0.00 58.65 58.05 1aov h GLN 214 Cb 0.78 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.32 1aov h GLN 214 CO 0.06 0.97 -0.29 0.93 -2.65 0.00 0.00 178.83 177.85 1aov h GLU 215 N 0.58 0.88 0.03 1.69 5.08 0.68 -3.17 114.58 120.35 1aov h GLU 215 Ca 0.05 -0.41 -0.37 0.00 -1.00 0.00 0.00 59.36 57.63 1aov h GLU 215 Cb 0.92 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 1aov h GLU 215 CO 0.08 1.06 -2.28 0.09 -1.00 0.00 0.00 179.01 176.96 1aov n ASN 216 N -4.08 1.51 -1.46 1.42 4.13 0.73 -4.84 115.26 112.67 1aov n ASN 216 Ca -0.01 0.02 -0.01 0.00 1.68 0.00 0.00 54.58 56.27 1aov n ASN 216 Cb 0.49 -0.20 0.09 0.00 -1.54 0.00 0.00 39.78 38.63 1aov n ASN 216 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1aov n ALA 217 N -3.03 3.31 0.00 5.41 0.00 -0.29 -4.95 120.51 120.97 1aov n ALA 217 Ca -0.37 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.07 1aov n ALA 217 Cb 1.04 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1aov n ALA 217 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1aov n PRO 218 N -0.45 0.00 -0.03 0.00 -0.04 -1.20 -0.56 135.00 132.72 1aov n PRO 218 Ca 0.17 0.41 -0.09 0.00 -0.04 0.00 0.00 63.50 63.95 1aov n PRO 218 Cb 0.90 -1.53 -0.08 0.00 -0.04 0.00 0.00 33.50 32.75 1aov n PRO 218 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1aov h GLU 219 N 0.00 -0.05 -0.38 0.54 5.08 -1.90 -3.40 114.58 114.47 1aov h GLU 219 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1aov h GLU 219 Cb 0.05 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.23 1aov h GLU 219 CO 0.00 0.52 0.02 -0.85 -1.00 0.00 0.00 179.01 177.70 1aov n GLU 220 N -4.74 2.31 -0.16 2.33 0.28 0.28 -4.68 120.64 116.26 1aov n GLU 220 Ca -0.07 -3.05 0.07 0.00 -0.16 0.00 0.00 57.16 53.96 1aov n GLU 220 Cb 0.29 -1.87 0.38 0.00 1.43 0.00 0.00 31.44 31.67 1aov n GLU 220 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 1aov h LYS 221 N 1.33 0.67 0.00 3.44 2.10 -1.76 -0.23 116.57 122.11 1aov h LYS 221 Ca 0.18 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 1aov h LYS 221 Cb 1.70 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.88 1aov h LYS 221 CO 0.39 0.44 0.00 -0.40 -2.00 0.00 0.00 179.45 177.89 1aov n ASP 222 N -4.48 0.00 -0.11 7.07 5.75 -1.26 -1.43 116.55 122.09 1aov n ASP 222 Ca 0.10 0.22 0.10 0.00 -0.01 0.00 0.00 54.79 55.20 1aov n ASP 222 Cb 0.25 -0.24 -0.09 0.00 -1.03 0.00 0.00 41.12 40.02 1aov n ASP 222 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1aov n GLU 223 N -1.24 0.26 -4.22 0.11 1.02 -0.10 -4.95 120.64 111.53 1aov n GLU 223 Ca 0.01 -0.22 -0.25 0.00 -0.02 0.00 0.00 57.16 56.68 1aov n GLU 223 Cb 0.01 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.86 1aov n GLU 223 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1aov s TYR 224 N -2.89 2.84 0.19 -0.32 2.02 -0.51 -0.21 117.35 118.47 1aov s TYR 224 Ca 0.10 -0.16 -0.01 0.00 -0.37 0.00 0.00 57.07 56.63 1aov s TYR 224 Cb 0.16 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 1aov s TYR 224 CO 0.80 0.55 0.13 -1.21 -1.57 0.00 0.00 175.55 174.25 1aov s GLU 225 N -3.24 1.17 -0.01 -0.62 2.02 -0.41 -4.48 118.70 113.12 1aov s GLU 225 Ca 0.29 -1.59 0.01 0.00 0.02 0.00 0.00 54.97 53.70 1aov s GLU 225 Cb -0.08 0.27 -0.04 0.00 0.10 0.00 0.00 34.13 34.38 1aov s GLU 225 CO 0.20 -0.38 0.02 -0.51 0.02 0.00 0.00 175.26 174.61 1aov s LEU 226 N -3.14 3.61 -0.57 1.80 1.43 0.25 -0.32 118.68 121.74 1aov s LEU 226 Ca 0.36 0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.44 1aov s LEU 226 Cb 0.07 -2.05 0.15 0.00 0.03 0.00 0.00 46.19 44.38 1aov s LEU 226 CO 0.10 0.29 0.41 -0.22 0.23 0.00 0.00 176.35 177.17 1aov s LEU 227 N -1.53 5.59 0.30 1.79 2.96 -0.90 -2.21 118.68 124.68 1aov s LEU 227 Ca 0.20 -2.41 -0.13 0.00 -0.22 0.00 0.00 54.13 51.57 1aov s LEU 227 Cb -0.12 -1.94 -0.08 0.00 0.50 0.00 0.00 46.19 44.55 1aov s LEU 227 CO 0.10 -0.52 0.68 0.00 -1.32 0.00 0.00 176.35 175.29 1aov n LEU 229 N -0.43 0.16 -1.00 0.00 4.77 -1.26 -0.66 117.00 118.58 1aov n LEU 229 Ca 0.02 0.57 0.05 0.00 -0.03 0.00 0.00 56.01 56.62 1aov n LEU 229 Cb 0.53 -0.58 0.20 0.00 -2.33 0.00 0.00 43.42 41.24 1aov n LEU 229 CO 0.43 -0.58 0.62 -0.90 -1.33 0.00 0.00 177.39 175.63 1aov n ASP 230 N -1.71 2.88 -0.07 -1.43 5.75 -1.26 -4.89 116.55 115.82 1aov n ASP 230 Ca 0.00 -2.25 -0.01 0.00 -0.01 0.00 0.00 54.79 52.53 1aov n ASP 230 Cb 0.03 -0.43 -0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1aov n ASP 230 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aov n GLY 231 N 0.76 0.36 3.37 6.12 0.00 0.17 -5.05 105.19 110.91 1aov n GLY 231 Ca 0.14 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 1aov n GLY 231 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aov s SER 232 N -2.97 1.87 0.18 1.61 0.01 -0.83 -4.75 113.70 108.81 1aov s SER 232 Ca 0.00 -1.33 0.10 0.00 1.31 0.00 0.00 55.95 56.04 1aov s SER 232 Cb 0.00 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 1aov s SER 232 CO 0.00 -0.61 -0.20 -0.13 0.41 0.00 0.00 173.24 172.71 1aov s ARG 233 N -3.92 1.68 -0.06 12.44 0.52 -1.26 0.33 118.95 128.67 1aov s ARG 233 Ca 0.34 -1.42 -0.15 0.00 -0.52 0.00 0.00 55.73 53.98 1aov s ARG 233 Cb 0.07 -1.96 0.03 0.00 0.52 0.00 0.00 34.95 33.62 1aov s ARG 233 CO 0.13 0.42 0.36 -0.65 0.02 0.00 0.00 175.30 175.58 1aov s GLN 234 N -2.63 0.61 0.86 3.54 -0.21 -0.94 -4.92 119.66 115.97 1aov s GLN 234 Ca 0.21 0.09 -0.11 0.00 0.02 0.00 0.00 55.36 55.57 1aov s GLN 234 Cb -0.08 0.28 0.11 0.00 1.00 0.00 0.00 33.01 34.32 1aov s GLN 234 CO 0.11 -0.15 1.15 -2.14 -2.12 0.00 0.00 175.29 172.15 1aov s PRO 235 N -0.78 1.40 0.17 2.91 0.02 -1.26 -0.58 135.00 136.88 1aov s PRO 235 Ca -0.09 1.55 -0.13 0.00 0.02 0.00 0.00 61.00 62.36 1aov s PRO 235 Cb -0.04 -1.77 0.18 0.00 0.02 0.00 0.00 34.50 32.89 1aov s PRO 235 CO 0.03 -2.35 1.14 0.28 -0.33 0.00 0.00 177.00 175.77 1aov n VAL 236 N -3.83 -0.39 1.94 3.83 0.31 -1.26 -0.50 118.33 118.43 1aov n VAL 236 Ca 0.12 1.72 0.16 0.00 -0.01 0.00 0.00 64.34 66.32 1aov n VAL 236 Cb 0.52 -2.27 0.92 0.00 -0.91 0.00 0.00 33.84 32.10 1aov n VAL 236 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1aov n ASP 237 N -5.08 0.00 -1.56 4.52 9.92 -1.26 -3.44 116.55 119.65 1aov n ASP 237 Ca 0.07 -0.95 -0.05 0.00 -0.53 0.00 0.00 54.79 53.33 1aov n ASP 237 Cb 0.29 -0.01 0.18 0.00 -0.64 0.00 0.00 41.12 40.95 1aov n ASP 237 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1aov n SER 238 N -1.01 3.72 -0.24 -2.24 7.64 0.35 -4.59 113.62 117.25 1aov n SER 238 Ca 0.23 -2.79 0.15 0.00 1.01 0.00 0.00 58.87 57.48 1aov n SER 238 Cb 0.11 -0.66 0.45 0.00 -1.01 0.00 0.00 64.21 63.09 1aov n SER 238 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 1aov h TYR 239 N 1.58 0.67 0.00 1.43 -0.00 -1.71 -1.07 116.97 117.86 1aov h TYR 239 Ca 0.19 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.94 1aov h TYR 239 Cb 1.79 -0.21 0.00 0.00 -0.00 0.00 0.00 36.73 38.31 1aov h TYR 239 CO 0.84 0.22 0.00 1.63 -0.00 0.00 0.00 178.16 180.85 1aov n LYS 240 N -4.54 0.04 -0.00 0.10 5.02 -1.26 -0.72 118.16 116.79 1aov n LYS 240 Ca 0.18 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1aov n LYS 240 Cb 0.56 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1aov n LYS 240 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1aov n THR 241 N -1.65 0.90 -3.04 -0.18 -2.24 -0.43 -4.81 114.28 102.83 1aov n THR 241 Ca 0.02 -0.91 -0.15 0.00 -2.27 0.00 0.00 64.05 60.74 1aov n THR 241 Cb 0.14 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.87 1aov n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aov s ASN 243 N 0.24 0.19 0.10 0.00 2.20 -1.17 -4.54 114.94 111.97 1aov s ASN 243 Ca 0.32 -0.22 0.21 0.00 -0.94 0.00 0.00 52.86 52.22 1aov s ASN 243 Cb 0.04 0.03 0.84 0.00 -2.00 0.00 0.00 41.25 40.17 1aov s ASN 243 CO -0.13 -0.11 1.64 0.79 -2.94 0.00 0.00 177.10 176.35 1aov n TRP 244 N 2.45 0.34 0.00 1.54 7.02 -0.98 -4.88 117.44 122.93 1aov n TRP 244 Ca -0.17 0.12 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 1aov n TRP 244 Cb 0.58 -0.70 0.00 0.00 -2.42 0.00 0.00 31.31 28.77 1aov n TRP 244 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1aov n ALA 245 N -1.61 0.00 -0.07 6.99 0.00 -1.25 -4.73 120.51 119.84 1aov n ALA 245 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1aov n ALA 245 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1aov n ALA 245 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1aov n ARG 246 N -1.99 0.00 -3.01 0.00 5.12 3.51 -0.89 116.66 119.41 1aov n ARG 246 Ca 0.00 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.48 1aov n ARG 246 Cb 0.00 -0.20 -0.02 0.00 -1.16 0.00 0.00 32.46 31.08 1aov n ARG 246 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1aov s VAL 247 N -2.00 5.01 0.12 1.55 1.01 0.53 -4.86 120.40 121.76 1aov s VAL 247 Ca 0.00 -2.14 -0.34 0.00 0.00 0.00 0.00 61.98 59.50 1aov s VAL 247 Cb 0.00 -4.78 -0.17 0.00 0.00 0.00 0.00 36.38 31.43 1aov s VAL 247 CO 0.00 -1.47 0.95 0.00 0.00 0.00 0.00 175.10 174.58 1aov n ALA 248 N 5.71 -2.30 -0.70 5.51 0.00 -1.21 -4.15 120.51 123.38 1aov n ALA 248 Ca 0.27 0.50 -0.26 0.00 0.00 0.00 0.00 53.44 53.95 1aov n ALA 248 Cb 0.46 -1.82 0.02 0.00 0.00 0.00 0.00 19.45 18.11 1aov n ALA 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aov n ALA 249 N 1.07 -4.33 -1.91 0.00 0.00 -0.86 -4.36 120.51 110.12 1aov n ALA 249 Ca 0.17 -0.76 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 1aov n ALA 249 Cb 0.19 -0.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 1aov n ALA 249 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1aov s HIS 250 N -1.40 1.97 -0.25 0.00 3.76 -1.26 -4.63 115.29 113.47 1aov s HIS 250 Ca 0.26 0.09 -0.11 0.00 -0.15 0.00 0.00 55.06 55.16 1aov s HIS 250 Cb -0.01 -4.00 -0.05 0.00 1.11 0.00 0.00 32.58 29.62 1aov s HIS 250 CO 0.52 -4.23 0.18 0.00 -0.85 0.00 0.00 174.74 170.36 1aov s ALA 251 N 3.69 3.58 0.12 -1.40 0.00 -0.99 -1.93 121.76 124.84 1aov s ALA 251 Ca 0.77 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 1aov s ALA 251 Cb -0.37 -2.39 -0.07 0.00 0.00 0.00 0.00 23.12 20.29 1aov s ALA 251 CO 0.33 -0.32 1.27 0.08 0.00 0.00 0.00 175.76 177.12 1aov s VAL 252 N 1.30 3.61 0.26 0.00 1.01 0.27 -0.23 120.40 126.61 1aov s VAL 252 Ca 0.08 1.22 0.12 0.00 0.00 0.00 0.00 61.98 63.39 1aov s VAL 252 Cb -0.14 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1aov s VAL 252 CO 0.07 0.13 -0.20 0.68 0.00 0.00 0.00 175.10 175.77 1aov s VAL 253 N 0.69 2.40 0.07 2.92 -7.23 -0.01 -1.28 120.40 117.96 1aov s VAL 253 Ca 0.59 -2.33 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1aov s VAL 253 Cb -0.33 -2.25 0.01 0.00 0.56 0.00 0.00 36.38 34.37 1aov s VAL 253 CO 0.32 -0.36 0.13 0.00 -0.31 0.00 0.00 175.10 174.88 1aov n ALA 254 N -0.44 -0.29 -1.81 1.32 0.00 -0.92 -2.94 120.51 115.42 1aov n ALA 254 Ca -0.07 -0.22 -0.36 0.00 0.00 0.00 0.00 53.44 52.79 1aov n ALA 254 Cb 0.59 0.18 -0.07 0.00 0.00 0.00 0.00 19.45 20.16 1aov n ALA 254 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1aov s ARG 255 N -2.02 4.48 -0.02 0.00 0.52 -1.26 -1.32 118.95 119.32 1aov s ARG 255 Ca 0.03 1.25 -0.25 0.00 -0.52 0.00 0.00 55.73 56.23 1aov s ARG 255 Cb -0.01 -2.66 -0.20 0.00 0.52 0.00 0.00 34.95 32.61 1aov s ARG 255 CO 0.02 0.21 1.23 0.22 0.02 0.00 0.00 175.30 177.01 1aov h ASP 256 N 2.88 -0.05 -1.57 0.23 3.58 -1.94 -3.32 116.42 116.23 1aov h ASP 256 Ca -0.47 -0.44 -0.73 0.00 0.42 0.00 0.00 57.03 55.80 1aov h ASP 256 Cb 1.19 0.01 -0.14 0.00 1.72 0.00 0.00 39.33 42.11 1aov h ASP 256 CO 0.64 0.43 1.82 0.47 -2.88 0.00 0.00 179.24 179.72 1aov n ASP 257 N -4.89 5.03 -3.64 2.28 9.92 -1.26 -4.85 116.55 119.15 1aov n ASP 257 Ca -0.08 -2.99 0.00 0.00 -0.53 0.00 0.00 54.79 51.19 1aov n ASP 257 Cb 0.25 -1.58 0.01 0.00 -0.64 0.00 0.00 41.12 39.16 1aov n ASP 257 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1aov s SER 258 N 2.58 -0.01 0.00 -2.24 0.15 -1.25 -5.03 113.70 107.90 1aov s SER 258 Ca 0.44 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1aov s SER 258 Cb 0.03 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1aov s SER 258 CO 0.01 -0.55 0.20 2.29 1.20 0.00 0.00 173.24 176.40 1aov n LYS 259 N -0.77 0.14 -0.28 5.44 2.85 -1.26 -4.57 118.16 119.71 1aov n LYS 259 Ca -0.00 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.35 1aov n LYS 259 Cb 0.59 -1.43 0.23 0.00 -0.65 0.00 0.00 35.03 33.78 1aov n LYS 259 CO 0.00 0.00 0.00 -0.84 -0.05 0.00 0.00 177.40 176.51 1aov h ILE 260 N 1.31 0.42 -0.99 0.58 3.07 -1.91 -0.48 117.51 119.52 1aov h ILE 260 Ca 0.00 -0.09 0.26 0.00 1.55 0.00 0.00 64.86 66.58 1aov h ILE 260 Cb 0.14 0.15 -0.13 0.00 -0.27 0.00 0.00 36.82 36.71 1aov h ILE 260 CO 0.00 0.05 0.56 0.44 -1.05 0.00 0.00 178.15 178.14 1aov h ASP 261 N 0.25 0.59 -0.53 2.16 5.19 -1.99 0.25 116.42 122.35 1aov h ASP 261 Ca 0.48 0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 57.01 1aov h ASP 261 Cb 0.90 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.46 1aov h ASP 261 CO -0.58 0.03 0.19 0.44 -3.12 0.00 0.00 179.24 176.20 1aov h ASP 262 N 0.50 0.75 -0.09 6.45 3.32 -1.41 0.39 116.42 126.32 1aov h ASP 262 Ca 0.65 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.50 1aov h ASP 262 Cb 1.30 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1aov h ASP 262 CO -0.51 0.74 -0.01 0.40 -1.72 0.00 0.00 179.24 178.13 1aov h ILE 263 N 0.72 1.26 -0.14 0.35 2.04 -0.55 0.12 117.51 121.32 1aov h ILE 263 Ca 0.17 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1aov h ILE 263 Cb 0.24 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1aov h ILE 263 CO -0.01 0.24 0.08 -0.25 0.00 0.00 0.00 178.15 178.21 1aov h TRP 264 N -0.13 0.18 -0.26 1.37 2.91 -0.64 0.19 115.95 119.57 1aov h TRP 264 Ca 0.03 0.00 -0.12 0.00 1.13 0.00 0.00 58.89 59.92 1aov h TRP 264 Cb 0.37 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.95 1aov h TRP 264 CO 0.04 0.13 -0.35 0.77 -1.03 0.00 0.00 178.44 178.00 1aov h SER 265 N 0.20 0.60 0.02 2.65 0.02 0.56 0.35 113.55 117.94 1aov h SER 265 Ca 0.05 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1aov h SER 265 Cb 0.00 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1aov h SER 265 CO -0.01 0.90 -0.01 0.15 -1.14 0.00 0.00 176.83 176.73 1aov h PHE 266 N 0.49 -0.02 -0.54 3.45 3.57 0.20 -2.40 116.94 121.68 1aov h PHE 266 Ca 0.05 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1aov h PHE 266 Cb 0.83 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 1aov h PHE 266 CO 0.03 0.56 0.21 -0.07 -2.23 0.00 0.00 178.31 176.80 1aov h LEU 267 N -0.61 0.22 -0.24 0.59 4.07 -0.97 0.30 115.31 118.66 1aov h LEU 267 Ca -0.00 0.06 0.02 0.00 0.08 0.00 0.00 57.88 58.05 1aov h LEU 267 Cb 0.59 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.33 1aov h LEU 267 CO 0.00 0.15 -0.23 1.23 -1.08 0.00 0.00 178.44 178.51 1aov h GLY 268 N 0.39 -1.72 1.02 0.83 0.00 -0.28 0.63 103.07 103.95 1aov h GLY 268 Ca 0.26 0.87 -0.04 0.00 0.00 0.00 0.00 47.33 48.42 1aov h GLY 268 CO -0.26 -0.54 0.27 -0.33 0.00 0.00 0.00 176.54 175.68 1aov h MET 269 N -0.11 1.04 -0.73 4.80 2.86 -0.62 -0.89 114.93 121.29 1aov h MET 269 Ca 0.04 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1aov h MET 269 Cb 0.21 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1aov h MET 269 CO -0.28 0.87 0.41 -0.56 1.06 0.00 0.00 176.91 178.41 1aov h GLN 270 N 0.99 1.01 -0.31 1.72 -0.00 -0.14 -2.01 115.11 116.37 1aov h GLN 270 Ca 0.23 -0.11 0.09 0.00 -0.00 0.00 0.00 58.65 58.86 1aov h GLN 270 Cb 0.22 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.48 27.49 1aov h GLN 270 CO -0.02 0.74 0.38 0.00 -0.00 0.00 0.00 178.83 179.94 1aov h ALA 271 N 1.21 1.95 0.00 0.06 0.00 0.17 -1.10 119.26 121.55 1aov h ALA 271 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1aov h ALA 271 Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1aov h ALA 271 CO -0.04 -0.54 0.00 2.48 0.00 0.00 0.00 179.25 181.14 1aov n TYR 272 N -3.61 0.00 0.07 0.00 4.11 -0.95 -3.32 117.16 113.46 1aov n TYR 272 Ca 0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.74 1aov n TYR 272 Cb 0.53 0.01 -0.12 0.00 -0.00 0.00 0.00 39.34 39.77 1aov n TYR 272 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.86 177.63 1aov h SER 273 N 0.00 0.88 -1.17 9.48 0.02 -0.52 -3.35 113.55 118.89 1aov h SER 273 Ca 0.00 -0.77 -0.62 0.00 -0.84 0.00 0.00 61.79 59.56 1aov h SER 273 Cb 0.83 -0.27 -0.37 0.00 0.14 0.00 0.00 62.40 62.72 1aov h SER 273 CO 0.00 1.57 -0.13 0.18 -1.14 0.00 0.00 176.83 177.30 1aov n LEU 274 N -3.81 5.90 0.00 5.07 4.77 -0.61 -4.54 117.00 123.78 1aov n LEU 274 Ca -0.12 -4.77 0.00 0.00 -0.03 0.00 0.00 56.01 51.09 1aov n LEU 274 Cb 0.94 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1aov n LEU 274 CO 0.57 1.94 0.00 0.61 -1.33 0.00 0.00 177.39 179.18 1aov n GLY 275 N -0.68 1.11 0.28 -0.72 0.00 -1.21 -0.84 105.19 103.13 1aov n GLY 275 Ca 0.49 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 45.09 1aov n GLY 275 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1aov h VAL 276 N 0.00 0.74 -3.42 1.61 -1.51 -1.81 -3.29 116.25 108.56 1aov h VAL 276 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 66.70 64.91 1aov h VAL 276 Cb 0.00 0.99 -0.39 0.00 -2.13 0.00 0.00 31.29 29.76 1aov h VAL 276 CO 0.00 0.00 -0.77 -0.62 -1.23 0.00 0.00 177.57 174.95 1aov s ASP 277 N -6.57 3.28 -0.16 4.19 2.15 -1.26 -5.07 116.67 113.23 1aov s ASP 277 Ca -0.05 -0.95 -0.08 0.00 0.43 0.00 0.00 52.55 51.90 1aov s ASP 277 Cb 0.16 -0.85 -0.04 0.00 -0.30 0.00 0.00 42.92 41.89 1aov s ASP 277 CO 0.61 -0.27 0.10 -0.89 -0.17 0.00 0.00 175.17 174.54 1aov s THR 278 N 1.66 5.11 0.64 1.71 2.01 -1.24 -4.76 115.64 120.77 1aov s THR 278 Ca -0.03 0.07 0.31 0.00 0.31 0.00 0.00 61.69 62.35 1aov s THR 278 Cb -0.18 -3.28 0.34 0.00 0.01 0.00 0.00 72.50 69.39 1aov s THR 278 CO -0.07 0.50 1.99 0.00 -0.69 0.00 0.00 174.62 176.35 1aov h THR 279 N 4.53 0.16 0.00 -0.82 1.03 -1.96 -3.42 112.91 112.43 1aov h THR 279 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 1aov h THR 279 Cb 1.18 0.71 0.00 0.00 -1.07 0.00 0.00 68.15 68.97 1aov h THR 279 CO 0.68 0.00 0.00 -1.20 -0.01 0.00 0.00 175.52 174.99 1aov n SER 280 N -3.24 0.00 -0.07 0.00 7.64 -1.26 -5.17 113.62 111.53 1aov n SER 280 Ca 0.01 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.77 1aov n SER 280 Cb 0.40 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.55 1aov n SER 280 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1aov n ASP 281 N 0.00 2.08 -4.70 6.43 9.92 -1.26 -4.89 116.55 124.14 1aov n ASP 281 Ca 0.00 0.04 -0.42 0.00 -0.53 0.00 0.00 54.79 53.88 1aov n ASP 281 Cb 0.00 -0.31 -0.03 0.00 -0.64 0.00 0.00 41.12 40.14 1aov n ASP 281 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1aov s PHE 282 N -2.27 3.11 0.08 1.24 5.36 -1.26 -4.99 117.98 119.25 1aov s PHE 282 Ca -0.19 1.03 0.03 0.00 -0.96 0.00 0.00 56.93 56.85 1aov s PHE 282 Cb 0.06 -3.56 -0.04 0.00 -0.34 0.00 0.00 43.02 39.15 1aov s PHE 282 CO 0.29 -1.92 0.05 -1.01 -1.46 0.00 0.00 175.22 171.17 1aov s HIS 283 N 1.89 3.13 -0.78 10.12 3.76 -1.26 -4.80 115.29 127.36 1aov s HIS 283 Ca 0.61 0.05 0.23 0.00 -0.15 0.00 0.00 55.06 55.80 1aov s HIS 283 Cb -0.30 -1.60 0.10 0.00 1.11 0.00 0.00 32.58 31.89 1aov s HIS 283 CO 0.26 0.51 1.09 -0.11 -0.85 0.00 0.00 174.74 175.65 1aov n LEU 284 N 0.55 0.65 -3.69 0.89 -0.00 -0.02 -4.86 117.00 110.52 1aov n LEU 284 Ca -0.10 -0.11 -0.20 0.00 -0.00 0.00 0.00 56.01 55.60 1aov n LEU 284 Cb 0.52 -0.11 -0.18 0.00 -0.00 0.00 0.00 43.42 43.64 1aov n LEU 284 CO 0.42 0.10 -0.35 -0.36 -0.00 0.00 0.00 177.39 177.21 1aov s PHE 285 N -3.11 0.17 -0.38 1.96 0.08 -1.26 -4.77 117.98 110.66 1aov s PHE 285 Ca 0.06 0.18 0.03 0.00 0.12 0.00 0.00 56.93 57.32 1aov s PHE 285 Cb 0.15 -0.53 0.16 0.00 -0.57 0.00 0.00 43.02 42.23 1aov s PHE 285 CO 0.79 -0.21 0.38 0.20 -0.10 0.00 0.00 175.22 176.28 1aov s GLY 286 N 2.10 0.03 -0.23 4.36 0.00 -1.26 -4.81 107.32 107.52 1aov s GLY 286 Ca 0.05 -1.08 0.14 0.00 0.00 0.00 0.00 44.72 43.82 1aov s GLY 286 CO -0.03 2.71 1.72 -1.55 0.00 0.00 0.00 173.10 175.95 1aov n PRO 287 N 4.11 4.81 -0.76 2.90 -0.04 -1.26 -5.02 135.00 139.75 1aov n PRO 287 Ca 0.12 -3.09 0.00 0.00 -0.04 0.00 0.00 63.50 60.50 1aov n PRO 287 Cb 0.45 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1aov n PRO 287 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1aov n PRO 288 N 0.63 1.13 -1.14 0.54 -0.04 -1.26 -4.76 135.00 130.10 1aov n PRO 288 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1aov n PRO 288 Cb 1.18 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.64 1aov n PRO 288 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aov n GLY 289 N 5.00 0.00 1.50 0.55 0.00 -1.26 -2.72 105.19 108.25 1aov n GLY 289 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1aov n GLY 289 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1aov n LYS 290 N -0.43 -0.47 -2.08 1.61 4.81 -1.26 -5.00 118.16 115.34 1aov n LYS 290 Ca 0.00 0.51 -0.29 0.00 -0.87 0.00 0.00 58.31 57.66 1aov n LYS 290 Cb 0.00 -0.39 0.19 0.00 0.02 0.00 0.00 35.03 34.84 1aov n LYS 290 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1aov s LYS 291 N -0.12 0.59 0.28 1.64 1.02 -1.10 -4.99 119.74 117.07 1aov s LYS 291 Ca 0.00 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 55.03 1aov s LYS 291 Cb 0.00 -1.93 -0.10 0.00 -0.52 0.00 0.00 37.83 35.28 1aov s LYS 291 CO 0.00 -2.38 1.31 0.34 -0.92 0.00 0.00 175.35 173.70 1aov s ASP 292 N -4.93 6.82 0.36 2.83 2.15 -1.26 -4.90 116.67 117.74 1aov s ASP 292 Ca 0.75 2.59 0.15 0.00 0.43 0.00 0.00 52.55 56.47 1aov s ASP 292 Cb -0.03 -2.63 1.06 0.00 -0.30 0.00 0.00 42.92 41.02 1aov s ASP 292 CO 0.52 -0.53 1.71 -0.65 -0.17 0.00 0.00 175.17 176.05 1aov h PRO 293 N 4.13 0.40 0.00 4.34 0.11 -1.97 0.09 132.00 139.10 1aov h PRO 293 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1aov h PRO 293 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1aov h PRO 293 CO 0.70 0.26 -0.07 1.33 -0.21 0.00 0.00 178.00 180.01 1aov n VAL 294 N -4.84 0.09 0.08 3.15 0.24 -1.26 -3.33 118.33 112.46 1aov n VAL 294 Ca 0.29 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.34 62.46 1aov n VAL 294 Cb 0.92 -0.41 0.03 0.00 -1.47 0.00 0.00 33.84 32.90 1aov n VAL 294 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1aov h LEU 295 N 0.00 0.30 -9.96 1.34 3.38 -1.33 -3.47 115.31 105.56 1aov h LEU 295 Ca 0.00 -0.22 -0.54 0.00 0.09 0.00 0.00 57.88 57.21 1aov h LEU 295 Cb 0.54 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1aov h LEU 295 CO 0.00 0.98 -0.10 -0.54 0.09 0.00 0.00 178.44 178.86 1aov s LYS 296 N -3.39 3.83 -0.98 1.13 1.02 -1.21 -3.94 119.74 116.20 1aov s LYS 296 Ca -0.04 0.32 -0.01 0.00 0.02 0.00 0.00 55.97 56.27 1aov s LYS 296 Cb 0.11 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1aov s LYS 296 CO 0.82 0.33 0.07 -0.25 -0.92 0.00 0.00 175.35 175.40 1aov n ASP 297 N -0.03 -3.84 -4.67 2.83 8.00 -1.26 -4.98 116.55 112.60 1aov n ASP 297 Ca -0.00 -0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.03 1aov n ASP 297 Cb 0.52 -3.00 -0.02 0.00 -0.02 0.00 0.00 41.12 38.60 1aov n ASP 297 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1aov s LEU 298 N -3.50 4.18 0.00 0.64 1.02 -1.25 -4.01 118.68 115.76 1aov s LEU 298 Ca 0.03 1.54 0.00 0.00 0.02 0.00 0.00 54.13 55.73 1aov s LEU 298 Cb -0.01 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.65 1aov s LEU 298 CO 0.04 -0.61 0.00 0.18 0.02 0.00 0.00 176.35 175.98 1aov n LEU 299 N 5.84 0.00 -4.22 1.79 4.77 -1.26 -4.81 117.00 119.12 1aov n LEU 299 Ca 0.11 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 1aov n LEU 299 Cb 0.47 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 1aov n LEU 299 CO 0.53 0.00 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.85 1aov s PHE 300 N 0.00 1.11 0.33 -1.77 0.08 -1.26 -4.51 117.98 111.98 1aov s PHE 300 Ca 0.00 -0.89 -0.28 0.00 0.12 0.00 0.00 56.93 55.88 1aov s PHE 300 Cb 0.00 -0.61 -0.10 0.00 -0.57 0.00 0.00 43.02 41.74 1aov s PHE 300 CO 0.00 -0.09 1.26 0.15 -0.10 0.00 0.00 175.22 176.45 1aov s LYS 301 N -3.83 4.35 0.43 0.44 1.02 -1.26 -4.36 119.74 116.53 1aov s LYS 301 Ca 0.17 2.12 0.22 0.00 0.02 0.00 0.00 55.97 58.50 1aov s LYS 301 Cb 0.05 -3.04 0.93 0.00 -0.52 0.00 0.00 37.83 35.25 1aov s LYS 301 CO -0.00 -0.16 1.84 -0.44 -0.92 0.00 0.00 175.35 175.67 1aov h ASP 302 N 3.34 0.00 -0.25 2.83 3.32 -1.93 -1.90 116.42 121.83 1aov h ASP 302 Ca -0.49 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.64 1aov h ASP 302 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1aov h ASP 302 CO 0.65 0.27 0.21 0.77 -1.72 0.00 0.00 179.24 179.41 1aov h SER 303 N 0.00 0.00 -3.98 6.45 4.64 -1.93 -3.37 113.55 115.37 1aov h SER 303 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1aov h SER 303 Cb 0.71 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.90 1aov h SER 303 CO 0.03 0.00 0.62 0.00 -0.87 0.00 0.00 176.83 176.62 1aov s ALA 304 N -4.90 3.17 -0.02 5.18 0.00 -0.72 -4.81 121.76 119.67 1aov s ALA 304 Ca -0.05 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.20 1aov s ALA 304 Cb 0.17 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1aov s ALA 304 CO 0.65 -0.97 0.04 0.44 0.00 0.00 0.00 175.76 175.92 1aov n ILE 305 N -0.16 0.00 -3.63 0.00 -5.35 -0.93 -4.78 119.36 104.50 1aov n ILE 305 Ca 0.05 -0.15 -0.11 0.00 -0.27 0.00 0.00 62.75 62.27 1aov n ILE 305 Cb 0.44 0.61 -0.07 0.00 -1.74 0.00 0.00 39.64 38.88 1aov n ILE 305 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1aov s MET 306 N -1.84 0.76 -0.29 6.28 0.00 -1.22 -4.61 119.30 118.38 1aov s MET 306 Ca -0.00 1.01 -0.04 0.00 0.00 0.00 0.00 55.69 56.66 1aov s MET 306 Cb 0.01 0.31 0.02 0.00 0.00 0.00 0.00 34.83 35.17 1aov s MET 306 CO 0.06 -0.11 0.03 -0.51 0.00 0.00 0.00 175.02 174.48 1aov s LEU 307 N 0.75 3.69 -0.07 4.11 1.43 -1.26 -1.11 118.68 126.22 1aov s LEU 307 Ca -0.03 -0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 52.16 1aov s LEU 307 Cb -0.05 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1aov s LEU 307 CO -0.06 -0.20 0.05 -0.75 0.23 0.00 0.00 176.35 175.63 1aov s LYS 308 N 1.40 3.10 0.47 1.70 2.20 -0.54 -4.97 119.74 123.10 1aov s LYS 308 Ca 0.00 -0.37 -0.17 0.00 -0.36 0.00 0.00 55.97 55.07 1aov s LYS 308 Cb -0.18 -2.90 -0.09 0.00 -1.51 0.00 0.00 37.83 33.16 1aov s LYS 308 CO -0.00 0.70 0.94 0.50 -0.36 0.00 0.00 175.35 177.13 1aov s ARG 309 N -1.16 4.01 -0.15 4.03 3.52 -1.26 -1.74 118.95 126.21 1aov s ARG 309 Ca 0.16 0.94 -0.18 0.00 -0.13 0.00 0.00 55.73 56.52 1aov s ARG 309 Cb -0.12 -2.19 -0.04 0.00 -1.56 0.00 0.00 34.95 31.05 1aov s ARG 309 CO 0.06 -0.16 0.49 0.08 -0.81 0.00 0.00 175.30 174.97 1aov s VAL 310 N -2.44 5.16 -0.78 7.11 1.01 -0.09 -4.85 120.40 125.52 1aov s VAL 310 Ca 0.59 0.96 -0.34 0.00 0.00 0.00 0.00 61.98 63.19 1aov s VAL 310 Cb -0.10 -3.83 -0.19 0.00 0.00 0.00 0.00 36.38 32.27 1aov s VAL 310 CO 0.25 0.27 2.51 -2.65 0.00 0.00 0.00 175.10 175.48 1aov n PRO 311 N 4.11 0.19 0.16 2.72 -0.02 -1.26 -4.87 135.00 136.04 1aov n PRO 311 Ca -0.06 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1aov n PRO 311 Cb 0.51 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1aov n PRO 311 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1aov n GLU 312 N 8.31 0.01 0.00 -0.52 2.13 -1.26 -1.32 120.64 127.99 1aov n GLU 312 Ca 0.59 0.47 0.13 0.00 0.66 0.00 0.00 57.16 59.01 1aov n GLU 312 Cb 0.08 -1.34 0.32 0.00 0.27 0.00 0.00 31.44 30.77 1aov n GLU 312 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1aov n LEU 313 N -1.50 1.01 -4.77 4.31 7.94 -1.26 -4.93 117.00 117.80 1aov n LEU 313 Ca 0.00 -0.26 -0.41 0.00 -1.11 0.00 0.00 56.01 54.23 1aov n LEU 313 Cb 0.51 -0.13 -0.02 0.00 0.53 0.00 0.00 43.42 44.31 1aov n LEU 313 CO 0.00 0.20 0.97 -0.32 -1.11 0.00 0.00 177.39 177.13 1aov s MET 314 N -2.59 4.37 0.17 1.96 1.75 -0.43 -5.06 119.30 119.47 1aov s MET 314 Ca 0.22 2.19 0.03 0.00 -1.25 0.00 0.00 55.69 56.87 1aov s MET 314 Cb 0.19 -3.08 -0.05 0.00 2.84 0.00 0.00 34.83 34.73 1aov s MET 314 CO 0.56 -0.18 -0.03 0.16 -0.65 0.00 0.00 175.02 174.88 1aov s ASP 315 N -0.43 1.44 0.10 1.11 -4.77 -1.26 -4.71 116.67 108.15 1aov s ASP 315 Ca 0.49 -1.13 -0.14 0.00 -3.30 0.00 0.00 52.55 48.47 1aov s ASP 315 Cb -0.39 0.07 0.01 0.00 -1.09 0.00 0.00 42.92 41.52 1aov s ASP 315 CO 0.51 -0.50 0.82 -1.54 0.70 0.00 0.00 175.17 175.17 1aov n SER 316 N -0.25 -0.50 -0.30 2.11 3.41 -1.26 0.47 113.62 117.31 1aov n SER 316 Ca -0.08 0.94 0.11 0.00 -0.26 0.00 0.00 58.87 59.59 1aov n SER 316 Cb 0.63 -0.15 0.28 0.00 -0.26 0.00 0.00 64.21 64.70 1aov n SER 316 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1aov h GLN 317 N 0.00 0.41 0.09 4.33 4.15 -1.94 -0.20 115.11 121.95 1aov h GLN 317 Ca 0.12 -0.02 -0.27 0.00 0.77 0.00 0.00 58.65 59.24 1aov h GLN 317 Cb 0.25 -0.09 0.02 0.00 0.21 0.00 0.00 27.48 27.86 1aov h GLN 317 CO -0.51 0.27 -1.17 -0.07 -1.93 0.00 0.00 178.83 175.43 1aov h LEU 318 N 0.43 0.67 0.11 -2.39 3.38 -0.31 -3.12 115.31 114.08 1aov h LEU 318 Ca 0.53 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1aov h LEU 318 Cb 0.95 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1aov h LEU 318 CO -0.50 1.44 -0.05 0.22 0.09 0.00 0.00 178.44 179.64 1aov h TYR 319 N 0.21 -0.14 0.00 1.13 3.20 -0.30 -2.01 116.97 119.06 1aov h TYR 319 Ca -0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1aov h TYR 319 Cb 1.84 0.05 0.00 0.00 1.54 0.00 0.00 36.73 40.16 1aov h TYR 319 CO 0.09 0.18 0.00 -0.07 -1.64 0.00 0.00 178.16 176.72 1aov h LEU 320 N -0.47 0.00 0.00 2.82 3.38 -1.24 -3.46 115.31 116.33 1aov h LEU 320 Ca -0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1aov h LEU 320 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1aov h LEU 320 CO 0.03 0.00 -0.05 0.61 0.09 0.00 0.00 178.44 179.12 1aov n GLY 321 N -0.58 -2.12 0.00 0.83 0.00 -0.76 -4.33 105.19 98.24 1aov n GLY 321 Ca -0.01 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1aov n GLY 321 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1aov n PHE 322 N -1.06 0.00 0.00 1.61 7.35 -1.26 -3.28 117.46 120.82 1aov n PHE 322 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1aov n PHE 322 Cb 0.06 -0.27 0.00 0.00 0.35 0.00 0.00 39.48 39.63 1aov n PHE 322 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1aov n GLU 323 N -1.30 0.00 -0.12 -4.13 -0.58 -1.26 -0.26 120.64 112.99 1aov n GLU 323 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 1aov n GLU 323 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 1aov n GLU 323 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1aov h TYR 324 N 0.00 0.65 -0.19 -0.32 3.20 -1.75 -1.73 116.97 116.82 1aov h TYR 324 Ca 0.00 -0.11 0.05 0.00 3.14 0.00 0.00 58.73 61.81 1aov h TYR 324 Cb 0.00 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.04 1aov h TYR 324 CO 0.00 0.70 -0.16 -0.92 -1.64 0.00 0.00 178.16 176.15 1aov h TYR 325 N 0.41 -0.40 -0.13 -3.82 3.20 -0.61 0.21 116.97 115.83 1aov h TYR 325 Ca 0.10 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 1aov h TYR 325 Cb 0.44 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1aov h TYR 325 CO 0.03 -0.23 -0.46 0.66 -1.64 0.00 0.00 178.16 176.53 1aov h SER 326 N -0.16 0.34 -0.67 -2.11 4.64 -1.12 0.11 113.55 114.58 1aov h SER 326 Ca 0.12 -0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1aov h SER 326 Cb 0.34 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 1aov h SER 326 CO -0.29 0.76 0.44 0.00 -0.87 0.00 0.00 176.83 176.87 1aov h ALA 327 N 1.26 0.85 -0.18 5.18 0.00 -0.23 -1.25 119.26 124.89 1aov h ALA 327 Ca 0.02 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1aov h ALA 327 Cb 0.91 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1aov h ALA 327 CO 0.08 0.28 -0.48 0.82 0.00 0.00 0.00 179.25 179.95 1aov h ILE 328 N 0.91 1.32 -0.58 0.00 2.04 -0.14 -2.43 117.51 118.63 1aov h ILE 328 Ca 0.25 -1.70 0.12 0.00 1.00 0.00 0.00 64.86 64.53 1aov h ILE 328 Cb -0.10 1.70 -0.10 0.00 -0.74 0.00 0.00 36.82 37.58 1aov h ILE 328 CO -0.05 0.52 -0.05 1.56 0.00 0.00 0.00 178.15 180.13 1aov h GLN 329 N 0.38 0.07 0.33 2.37 1.08 0.04 -1.89 115.11 117.49 1aov h GLN 329 Ca 0.02 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1aov h GLN 329 Cb 0.99 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.38 1aov h GLN 329 CO 0.09 0.05 -0.40 0.77 -0.95 0.00 0.00 178.83 178.38 1aov h SER 330 N 0.07 -1.12 0.64 1.46 0.02 -0.74 0.26 113.55 114.13 1aov h SER 330 Ca 0.30 0.10 -0.24 0.00 -0.84 0.00 0.00 61.79 61.10 1aov h SER 330 Cb 0.47 0.38 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 1aov h SER 330 CO -0.53 -0.50 -1.51 0.17 -1.14 0.00 0.00 176.83 173.31 1aov h LEU 331 N -0.75 0.00 0.00 5.07 8.10 -1.54 -3.31 115.31 122.88 1aov h LEU 331 Ca -0.04 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.86 1aov h LEU 331 Cb 0.66 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.87 1aov h LEU 331 CO -0.09 0.87 -0.47 -0.09 -4.11 0.00 0.00 178.44 174.56 1aov h ARG 332 N 0.00 0.00 0.00 0.17 1.12 -1.40 -3.45 114.38 110.82 1aov h ARG 332 Ca -0.21 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.66 1aov h ARG 332 Cb 1.85 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.81 1aov h ARG 332 CO 0.08 0.39 0.00 1.63 -3.11 0.00 0.00 179.97 178.96 1aov n LYS 333 N -3.18 2.70 -1.43 0.20 5.02 0.90 -5.01 118.16 117.37 1aov n LYS 333 Ca 0.02 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.93 1aov n LYS 333 Cb 0.70 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.76 1aov n LYS 333 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1aov n ASP 334 N -0.64 -0.96 -4.53 4.39 2.03 -1.26 -4.69 116.55 110.89 1aov n ASP 334 Ca 0.00 0.70 -0.39 0.00 0.52 0.00 0.00 54.79 55.62 1aov n ASP 334 Cb 0.00 -1.20 -0.06 0.00 -0.72 0.00 0.00 41.12 39.14 1aov n ASP 334 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1aov n GLN 335 N -0.28 0.87 -3.53 -0.67 6.02 -1.26 -4.53 117.38 113.99 1aov n GLN 335 Ca 0.11 0.05 -0.29 0.00 -0.01 0.00 0.00 57.00 56.86 1aov n GLN 335 Cb 0.48 -2.92 -0.12 0.00 1.02 0.00 0.00 30.24 28.70 1aov n GLN 335 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1aov s LEU 336 N 10.88 1.44 -0.21 1.08 1.43 -0.53 -1.56 118.68 131.21 1aov s LEU 336 Ca 1.08 -2.31 0.12 0.00 -1.03 0.00 0.00 54.13 51.99 1aov s LEU 336 Cb -0.49 -0.57 0.44 0.00 0.03 0.00 0.00 46.19 45.61 1aov s LEU 336 CO 0.34 -0.30 1.20 0.35 0.23 0.00 0.00 176.35 178.17 1aov n THR 337 N 3.90 1.97 -2.69 5.49 -2.24 -1.24 -3.93 114.28 115.54 1aov n THR 337 Ca 0.11 -3.23 -0.08 0.00 -2.27 0.00 0.00 64.05 58.57 1aov n THR 337 Cb 0.36 -0.25 0.06 0.00 -2.10 0.00 0.00 70.33 68.41 1aov n THR 337 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1aov n VAL 338 N -0.77 0.56 -2.81 2.28 0.31 -1.26 -4.30 118.33 112.34 1aov n VAL 338 Ca 0.24 -2.45 -0.10 0.00 -0.01 0.00 0.00 64.34 62.01 1aov n VAL 338 Cb 0.83 0.79 0.05 0.00 -0.91 0.00 0.00 33.84 34.61 1aov n VAL 338 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aov n GLY 339 N -0.26 0.78 0.24 2.92 0.00 -1.25 -4.85 105.19 102.77 1aov n GLY 339 Ca 0.05 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 1aov n GLY 339 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aov h PRO 340 N 3.44 0.76 0.00 1.61 0.13 -1.63 -3.34 132.00 132.98 1aov h PRO 340 Ca -0.09 -0.46 -0.07 0.00 -0.87 0.00 0.00 66.00 64.50 1aov h PRO 340 Cb 1.05 0.05 -0.16 0.00 0.13 0.00 0.00 31.00 32.06 1aov h PRO 340 CO 0.26 1.09 -0.66 2.89 -0.23 0.00 0.00 178.00 181.35 1aov n ARG 341 N -4.00 0.50 0.00 0.86 1.85 -1.26 -5.03 116.66 109.58 1aov n ARG 341 Ca -0.03 -2.11 0.00 0.00 -1.00 0.00 0.00 57.85 54.70 1aov n ARG 341 Cb 0.60 -0.66 0.00 0.00 -1.05 0.00 0.00 32.46 31.35 1aov n ARG 341 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1aov n GLU 342 N -0.22 0.00 0.00 2.89 0.28 -1.26 -3.83 120.64 118.51 1aov n GLU 342 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1aov n GLU 342 Cb 0.88 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.75 1aov n GLU 342 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1aov n ASN 343 N 0.00 0.00 0.00 -1.84 5.03 -1.26 -4.87 115.26 112.32 1aov n ASN 343 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1aov n ASN 343 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1aov n ASN 343 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1aov n LYS 344 N 0.00 0.00 -5.14 3.52 5.02 -1.25 -5.10 118.16 115.21 1aov n LYS 344 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 1aov n LYS 344 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.85 1aov n LYS 344 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1aov s ILE 345 N -0.03 2.27 -0.39 -0.18 -1.09 -1.22 -5.01 121.20 115.56 1aov s ILE 345 Ca 0.00 -0.95 -0.18 0.00 -2.23 0.00 0.00 60.65 57.28 1aov s ILE 345 Cb 0.00 -1.88 0.01 0.00 -1.58 0.00 0.00 42.46 39.01 1aov s ILE 345 CO 0.00 0.56 0.52 -1.10 -1.23 0.00 0.00 174.94 173.69 1aov s GLN 346 N 0.23 3.43 -0.02 2.79 -1.52 -1.26 -0.30 119.66 123.01 1aov s GLN 346 Ca -0.14 -0.34 -0.19 0.00 -1.95 0.00 0.00 55.36 52.74 1aov s GLN 346 Cb -0.17 -3.88 -0.05 0.00 -0.22 0.00 0.00 33.01 28.69 1aov s GLN 346 CO 0.07 -0.77 0.54 -0.46 -0.25 0.00 0.00 175.29 174.42 1aov s TRP 347 N 2.43 3.67 -0.22 0.91 -0.11 0.49 -0.63 118.94 125.48 1aov s TRP 347 Ca 0.18 1.11 -0.04 0.00 1.22 0.00 0.00 56.10 58.57 1aov s TRP 347 Cb -0.15 -2.53 -0.01 0.00 -1.50 0.00 0.00 33.47 29.27 1aov s TRP 347 CO 0.15 0.39 -0.03 0.00 -4.62 0.00 0.00 176.95 172.83 1aov s ALA 349 N 1.46 3.74 -0.23 0.00 0.00 0.99 -4.70 121.76 123.01 1aov s ALA 349 Ca 0.05 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 1aov s ALA 349 Cb -0.14 -1.49 0.02 0.00 0.00 0.00 0.00 23.12 21.51 1aov s ALA 349 CO -0.02 0.25 -0.09 0.08 0.00 0.00 0.00 175.76 175.98 1aov s VAL 350 N -2.06 2.71 0.00 0.00 1.01 -1.26 -0.44 120.40 120.37 1aov s VAL 350 Ca 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1aov s VAL 350 Cb -0.08 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1aov s VAL 350 CO 0.27 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1aov n GLY 351 N 4.65 -2.54 0.37 4.51 0.00 -0.39 -4.17 105.19 107.62 1aov n GLY 351 Ca -0.17 -1.07 0.34 0.00 0.00 0.00 0.00 46.02 45.12 1aov n GLY 351 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aov h LYS 352 N 0.00 0.03 -0.06 1.61 1.79 -1.97 0.44 116.57 118.42 1aov h LYS 352 Ca 0.00 -0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1aov h LYS 352 Cb 0.00 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1aov h LYS 352 CO 0.00 0.02 -0.11 -0.44 -1.08 0.00 0.00 179.45 177.84 1aov h ASP 353 N 0.04 -0.34 -0.94 0.86 3.32 -2.00 -0.07 116.42 117.29 1aov h ASP 353 Ca 0.85 0.06 0.07 0.00 0.02 0.00 0.00 57.03 58.03 1aov h ASP 353 Cb 2.36 0.16 -0.06 0.00 0.22 0.00 0.00 39.33 42.01 1aov h ASP 353 CO -0.66 -0.16 0.61 -0.33 -1.72 0.00 0.00 179.24 176.98 1aov h GLU 354 N -0.16 1.02 0.68 3.56 5.08 -0.30 -1.86 114.58 122.60 1aov h GLU 354 Ca 0.06 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1aov h GLU 354 Cb 0.25 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1aov h GLU 354 CO -0.16 0.67 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.98 1aov h LYS 355 N 1.05 -0.88 -0.85 2.33 1.63 -0.87 0.62 116.57 119.60 1aov h LYS 355 Ca 0.41 0.06 0.22 0.00 -0.85 0.00 0.00 60.65 60.49 1aov h LYS 355 Cb 0.24 0.20 -0.14 0.00 -0.60 0.00 0.00 32.23 31.93 1aov h LYS 355 CO -0.17 -0.58 0.13 0.77 -3.45 0.00 0.00 179.45 176.15 1aov h SER 356 N -0.94 -0.19 -0.43 4.20 0.02 -0.26 0.82 113.55 116.77 1aov h SER 356 Ca -0.09 0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 1aov h SER 356 Cb 0.71 0.32 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1aov h SER 356 CO 0.15 -0.19 -0.21 0.50 -1.14 0.00 0.00 176.83 175.95 1aov h LYS 357 N 0.15 0.90 -0.31 3.45 3.64 -1.18 -0.99 116.57 122.23 1aov h LYS 357 Ca 0.51 -0.40 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1aov h LYS 357 Cb 0.99 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1aov h LYS 357 CO -0.69 1.05 -0.13 0.00 -2.27 0.00 0.00 179.45 177.41 1aov h ASP 359 N 0.48 1.10 -0.22 0.00 3.32 0.54 0.27 116.42 121.91 1aov h ASP 359 Ca 0.09 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.13 1aov h ASP 359 Cb 0.51 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1aov h ASP 359 CO 0.03 0.78 0.11 -0.09 -1.72 0.00 0.00 179.24 178.35 1aov h ARG 360 N 1.29 0.22 -0.33 3.56 1.12 -0.15 -2.76 114.38 117.32 1aov h ARG 360 Ca 0.37 -0.01 0.07 0.00 -1.11 0.00 0.00 59.98 59.30 1aov h ARG 360 Cb -0.10 -0.05 -0.08 0.00 -0.01 0.00 0.00 29.97 29.73 1aov h ARG 360 CO -0.09 0.15 -0.18 2.35 -3.11 0.00 0.00 179.97 179.08 1aov h TRP 361 N 0.23 -0.46 -0.26 2.20 2.91 0.76 -2.30 115.95 119.04 1aov h TRP 361 Ca 0.09 0.04 0.03 0.00 1.13 0.00 0.00 58.89 60.18 1aov h TRP 361 Cb 0.02 0.25 -0.05 0.00 -0.51 0.00 0.00 29.16 28.88 1aov h TRP 361 CO -0.09 -0.26 -0.31 1.03 -1.03 0.00 0.00 178.44 177.78 1aov h SER 362 N -0.13 -1.03 -0.02 2.65 0.87 -0.56 -1.21 113.55 114.11 1aov h SER 362 Ca 0.17 0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.88 1aov h SER 362 Cb 0.40 0.43 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 1aov h SER 362 CO -0.42 -0.21 -0.23 0.58 -0.53 0.00 0.00 176.83 176.02 1aov h VAL 363 N -0.20 0.00 0.00 2.23 2.07 -1.19 0.12 116.25 119.28 1aov h VAL 363 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1aov h VAL 363 Cb 0.31 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1aov h VAL 363 CO -0.34 0.00 -0.05 1.62 0.02 0.00 0.00 177.57 178.81 1aov h VAL 364 N -0.28 0.43 -0.00 2.57 3.04 -1.18 0.20 116.25 121.03 1aov h VAL 364 Ca 0.01 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1aov h VAL 364 Cb 0.31 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1aov h VAL 364 CO -0.16 0.05 -0.05 -1.54 -1.01 0.00 0.00 177.57 174.86 1aov n SER 365 N -3.59 0.31 -3.44 3.17 3.41 -0.48 -4.87 113.62 108.13 1aov n SER 365 Ca -0.02 -0.64 -0.17 0.00 -0.26 0.00 0.00 58.87 57.77 1aov n SER 365 Cb 0.16 -0.10 0.08 0.00 -0.26 0.00 0.00 64.21 64.09 1aov n SER 365 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1aov n ASN 366 N -0.96 -2.40 -0.87 4.04 4.13 0.70 -2.95 115.26 116.95 1aov n ASN 366 Ca 0.17 -0.65 -0.11 0.00 1.68 0.00 0.00 54.58 55.66 1aov n ASN 366 Cb 0.23 -5.01 -0.05 0.00 -1.54 0.00 0.00 39.78 33.42 1aov n ASN 366 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1aov n GLY 367 N -1.19 1.19 0.37 7.41 0.00 0.35 -4.89 105.19 108.43 1aov n GLY 367 Ca -0.27 -0.22 0.03 0.00 0.00 0.00 0.00 46.02 45.56 1aov n GLY 367 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1aov h GLU 368 N 0.07 1.11 -6.58 1.61 4.39 -1.75 -3.40 114.58 110.03 1aov h GLU 368 Ca -0.23 -0.07 -0.69 0.00 0.34 0.00 0.00 59.36 58.71 1aov h GLU 368 Cb 0.93 -0.25 -0.26 0.00 -0.10 0.00 0.00 28.75 29.06 1aov h GLU 368 CO 0.34 0.73 -0.85 0.54 -1.16 0.00 0.00 179.01 178.61 1aov s VAL 369 N -6.00 2.41 0.41 3.13 0.11 -1.26 -3.38 120.40 115.82 1aov s VAL 369 Ca -0.12 -1.12 0.05 0.00 -2.93 0.00 0.00 61.98 57.86 1aov s VAL 369 Cb 0.20 -1.92 -0.06 0.00 -1.53 0.00 0.00 36.38 33.07 1aov s VAL 369 CO 0.81 0.49 0.03 -1.61 -3.33 0.00 0.00 175.10 171.48 1aov s GLU 370 N -0.94 1.93 -0.00 1.54 2.02 0.59 -4.26 118.70 119.58 1aov s GLU 370 Ca 0.12 -2.13 0.01 0.00 0.02 0.00 0.00 54.97 52.99 1aov s GLU 370 Cb -0.10 -1.37 -0.00 0.00 0.10 0.00 0.00 34.13 32.75 1aov s GLU 370 CO 0.01 -0.17 -0.04 0.00 0.02 0.00 0.00 175.26 175.08 1aov s THR 372 N -0.06 2.10 -0.02 0.00 2.01 0.27 -4.89 115.64 115.05 1aov s THR 372 Ca 0.01 -2.09 -0.08 0.00 0.31 0.00 0.00 61.69 59.84 1aov s THR 372 Cb -0.02 -2.84 0.01 0.00 0.01 0.00 0.00 72.50 69.66 1aov s THR 372 CO -0.00 -0.09 0.17 -0.51 -0.69 0.00 0.00 174.62 173.50 1aov s ILE 373 N -2.67 0.06 0.12 1.82 1.10 -1.26 -0.01 121.20 120.37 1aov s ILE 373 Ca 0.34 -0.47 -0.00 0.00 -0.51 0.00 0.00 60.65 60.00 1aov s ILE 373 Cb 0.07 -0.41 0.00 0.00 0.15 0.00 0.00 42.46 42.26 1aov s ILE 373 CO 0.17 -0.26 0.17 0.18 -2.11 0.00 0.00 174.94 173.09 1aov n LEU 374 N 1.85 0.00 -0.52 8.50 4.77 0.42 -4.90 117.00 127.12 1aov n LEU 374 Ca -0.20 -1.02 0.07 0.00 -0.03 0.00 0.00 56.01 54.83 1aov n LEU 374 Cb 0.56 0.88 0.05 0.00 -2.33 0.00 0.00 43.42 42.58 1aov n LEU 374 CO 0.21 -0.23 0.44 0.47 -1.33 0.00 0.00 177.39 176.95 1aov n ASP 375 N -2.00 2.06 -3.71 -1.43 9.92 -1.26 -1.27 116.55 118.86 1aov n ASP 375 Ca 0.00 -1.53 -0.10 0.00 -0.53 0.00 0.00 54.79 52.63 1aov n ASP 375 Cb 0.21 0.06 -0.05 0.00 -0.64 0.00 0.00 41.12 40.69 1aov n ASP 375 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1aov s ASP 376 N -1.22 -0.12 -0.01 -2.24 1.01 -1.26 -4.74 116.67 108.09 1aov s ASP 376 Ca 0.16 -0.43 -0.23 0.00 0.71 0.00 0.00 52.55 52.75 1aov s ASP 376 Cb 0.11 0.43 -0.20 0.00 1.01 0.00 0.00 42.92 44.28 1aov s ASP 376 CO 0.19 -0.82 1.17 0.78 0.21 0.00 0.00 175.17 176.71 1aov h ASN 377 N 2.49 0.28 -0.75 0.27 2.35 -1.96 -2.66 115.58 115.59 1aov h ASN 377 Ca -0.34 -0.64 0.07 0.00 -0.55 0.00 0.00 56.30 54.84 1aov h ASN 377 Cb 1.24 -0.08 -0.09 0.00 0.05 0.00 0.00 38.32 39.44 1aov h ASN 377 CO 0.50 0.87 -0.44 1.17 -1.65 0.00 0.00 177.43 177.88 1aov n LYS 378 N -4.54 -0.33 0.24 0.81 3.00 -1.26 -0.87 118.16 115.21 1aov n LYS 378 Ca -0.08 1.18 -0.15 0.00 -0.00 0.00 0.00 58.31 59.26 1aov n LYS 378 Cb 0.44 -1.74 -0.08 0.00 0.00 0.00 0.00 35.03 33.65 1aov n LYS 378 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1aov h ASP 379 N 0.00 -0.49 -1.02 3.14 5.19 -1.96 -3.07 116.42 118.20 1aov h ASP 379 Ca 0.12 -0.07 0.28 0.00 -0.62 0.00 0.00 57.03 56.74 1aov h ASP 379 Cb 0.31 0.13 -0.06 0.00 0.18 0.00 0.00 39.33 39.88 1aov h ASP 379 CO -0.71 -0.23 0.70 0.00 -3.12 0.00 0.00 179.24 175.89 1aov h ILE 381 N 0.20 1.02 -0.89 0.00 2.04 -1.39 -0.60 117.51 117.89 1aov h ILE 381 Ca 0.53 -0.29 0.08 0.00 1.00 0.00 0.00 64.86 66.18 1aov h ILE 381 Cb 1.70 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 38.93 1aov h ILE 381 CO -0.14 0.07 0.55 0.58 0.00 0.00 0.00 178.15 179.21 1aov h VAL 382 N -0.22 0.99 0.00 1.67 2.07 0.55 0.74 116.25 122.04 1aov h VAL 382 Ca -0.01 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1aov h VAL 382 Cb 0.19 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1aov h VAL 382 CO 0.02 0.17 -0.07 0.11 0.02 0.00 0.00 177.57 177.82 1aov h LYS 383 N 0.95 0.00 0.02 1.57 1.57 -1.05 0.23 116.57 119.87 1aov h LYS 383 Ca 0.41 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.13 1aov h LYS 383 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1aov h LYS 383 CO -0.21 0.07 -0.30 0.82 -0.57 0.00 0.00 179.45 179.27 1aov h ILE 384 N 0.00 1.64 -0.17 1.86 2.04 0.15 0.44 117.51 123.47 1aov h ILE 384 Ca -0.00 -2.36 0.05 0.00 1.00 0.00 0.00 64.86 63.55 1aov h ILE 384 Cb 0.25 3.22 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 1aov h ILE 384 CO 0.01 0.59 0.13 0.71 0.00 0.00 0.00 178.15 179.59 1aov h THR 385 N -0.89 0.86 -0.02 -0.27 1.35 0.12 -1.86 112.91 112.20 1aov h THR 385 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1aov h THR 385 Cb 1.14 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1aov h THR 385 CO -0.00 0.00 -0.06 0.29 -0.25 0.00 0.00 175.52 175.50 1aov n LYS 386 N -4.40 1.70 -1.30 4.72 5.02 0.73 -4.75 118.16 119.87 1aov n LYS 386 Ca 0.01 -1.14 -0.10 0.00 -2.02 0.00 0.00 58.31 55.06 1aov n LYS 386 Cb 0.26 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 1aov n LYS 386 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aov n GLY 387 N 1.25 1.19 0.08 0.72 0.00 -0.70 -4.86 105.19 102.87 1aov n GLY 387 Ca 0.16 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1aov n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aov n GLU 388 N -2.64 0.49 -4.17 1.61 1.02 0.11 -4.90 120.64 112.16 1aov n GLU 388 Ca -0.10 0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 56.99 1aov n GLU 388 Cb 0.35 -1.73 -0.10 0.00 -0.02 0.00 0.00 31.44 29.95 1aov n GLU 388 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aov s ALA 389 N -3.31 0.96 -0.17 0.62 0.00 0.11 -4.94 121.76 115.04 1aov s ALA 389 Ca 0.01 -1.40 -0.13 0.00 0.00 0.00 0.00 51.96 50.43 1aov s ALA 389 Cb 0.12 0.37 -0.07 0.00 0.00 0.00 0.00 23.12 23.54 1aov s ALA 389 CO 0.79 -0.32 -0.29 -0.25 0.00 0.00 0.00 175.76 175.70 1aov n ASP 390 N -0.07 1.72 -4.01 0.00 8.00 0.20 -4.06 116.55 118.33 1aov n ASP 390 Ca -0.10 0.29 -0.08 0.00 0.71 0.00 0.00 54.79 55.61 1aov n ASP 390 Cb 0.62 -0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 40.95 1aov n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aov s ALA 391 N -2.62 0.25 -0.05 2.24 0.00 -1.20 -4.25 121.76 116.13 1aov s ALA 391 Ca -0.27 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 50.64 1aov s ALA 391 Cb 0.07 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.49 1aov s ALA 391 CO 0.37 -0.35 0.28 -1.50 0.00 0.00 0.00 175.76 174.56 1aov s ILE 392 N -3.37 0.04 -0.25 0.00 2.07 -1.07 -1.13 121.20 117.48 1aov s ILE 392 Ca 0.02 -0.30 -0.29 0.00 -1.41 0.00 0.00 60.65 58.67 1aov s ILE 392 Cb 0.04 -0.50 -0.00 0.00 0.13 0.00 0.00 42.46 42.12 1aov s ILE 392 CO -0.08 -0.16 1.28 -0.55 -1.91 0.00 0.00 174.94 173.52 1aov s SER 393 N -0.67 6.78 0.08 4.50 0.15 -1.26 -1.21 113.70 122.07 1aov s SER 393 Ca -0.08 1.40 0.05 0.00 0.70 0.00 0.00 55.95 58.02 1aov s SER 393 Cb -0.04 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1aov s SER 393 CO 0.02 -0.95 -0.03 -0.76 1.20 0.00 0.00 173.24 172.71 1aov s LEU 394 N 4.03 3.32 0.51 3.45 1.43 0.22 -4.93 118.68 126.71 1aov s LEU 394 Ca 0.55 -0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 53.24 1aov s LEU 394 Cb -0.19 -2.06 -0.07 0.00 0.03 0.00 0.00 46.19 43.90 1aov s LEU 394 CO 0.19 0.19 1.03 -0.62 0.23 0.00 0.00 176.35 177.37 1aov s ASP 395 N -2.18 6.26 0.21 2.29 2.15 -1.26 -0.78 116.67 123.35 1aov s ASP 395 Ca 0.24 1.85 -0.02 0.00 0.43 0.00 0.00 52.55 55.05 1aov s ASP 395 Cb -0.11 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.41 1aov s ASP 395 CO 0.16 -0.84 1.12 0.61 -0.17 0.00 0.00 175.17 176.05 1aov n GLY 396 N -0.59 -1.08 0.17 2.66 0.00 -1.25 0.34 105.19 105.44 1aov n GLY 396 Ca 0.09 0.73 -0.06 0.00 0.00 0.00 0.00 46.02 46.77 1aov n GLY 396 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aov h GLY 397 N 0.00 -0.58 -0.85 -0.02 0.00 -1.93 -3.21 103.07 96.47 1aov h GLY 397 Ca 0.39 0.24 0.39 0.00 0.00 0.00 0.00 47.33 48.35 1aov h GLY 397 CO -0.70 -0.21 0.65 0.74 0.00 0.00 0.00 176.54 177.02 1aov h PHE 398 N -0.40 0.77 -0.41 5.60 0.04 -0.47 0.27 116.94 122.34 1aov h PHE 398 Ca -0.04 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.85 1aov h PHE 398 Cb 0.31 -0.19 -0.07 0.00 2.20 0.00 0.00 35.95 38.20 1aov h PHE 398 CO 0.07 -0.28 -0.07 0.28 -0.60 0.00 0.00 178.31 177.71 1aov h VAL 399 N 0.15 0.62 0.17 -0.55 2.07 -0.79 0.11 116.25 118.02 1aov h VAL 399 Ca 0.79 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 68.32 1aov h VAL 399 Cb 2.13 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 1aov h VAL 399 CO -0.59 0.00 -0.33 0.22 0.02 0.00 0.00 177.57 176.89 1aov h TYR 400 N 0.03 -0.91 0.31 1.57 3.20 -0.45 0.46 116.97 121.18 1aov h TYR 400 Ca 0.20 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1aov h TYR 400 Cb 0.30 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1aov h TYR 400 CO -0.34 -0.45 -0.27 1.15 -1.64 0.00 0.00 178.16 176.62 1aov h THR 401 N -0.59 0.00 -0.92 1.81 2.02 -1.45 0.41 112.91 114.18 1aov h THR 401 Ca 0.02 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.42 1aov h THR 401 Cb 0.60 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.89 1aov h THR 401 CO -0.17 0.00 0.46 0.00 0.37 0.00 0.00 175.52 176.18 1aov h ALA 402 N -1.37 1.53 -0.47 6.16 0.00 -0.76 0.52 119.26 124.88 1aov h ALA 402 Ca -0.04 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1aov h ALA 402 Cb 0.48 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1aov h ALA 402 CO -0.01 -0.29 0.20 0.78 0.00 0.00 0.00 179.25 179.93 1aov h GLY 403 N 0.48 0.71 0.66 0.00 0.00 0.90 0.62 103.07 106.44 1aov h GLY 403 Ca 0.58 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 1aov h GLY 403 CO -0.49 0.32 -0.08 -2.08 0.00 0.00 0.00 176.54 174.21 1aov h VAL 404 N 0.66 1.35 0.00 4.60 2.07 0.42 -2.28 116.25 123.08 1aov h VAL 404 Ca 0.16 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1aov h VAL 404 Cb 0.12 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1aov h VAL 404 CO -0.02 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.91 1aov n GLY 406 N 0.18 0.54 3.77 0.00 0.00 0.18 -4.92 105.19 104.93 1aov n GLY 406 Ca 0.00 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1aov n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aov s LEU 407 N 0.00 4.36 -0.13 0.99 1.43 0.98 -4.34 118.68 121.98 1aov s LEU 407 Ca 0.00 0.89 -0.05 0.00 -1.03 0.00 0.00 54.13 53.94 1aov s LEU 407 Cb 0.00 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1aov s LEU 407 CO 0.00 0.14 0.05 0.54 0.23 0.00 0.00 176.35 177.31 1aov s VAL 408 N -0.11 4.67 0.36 -1.59 0.11 0.74 -3.22 120.40 121.35 1aov s VAL 408 Ca 0.25 -0.10 -0.27 0.00 -2.93 0.00 0.00 61.98 58.93 1aov s VAL 408 Cb -0.16 -3.03 -0.12 0.00 -1.53 0.00 0.00 36.38 31.54 1aov s VAL 408 CO 0.12 0.55 1.21 -0.81 -3.33 0.00 0.00 175.10 172.84 1aov n PRO 409 N 2.66 1.87 0.00 1.54 -0.04 -1.26 -2.01 135.00 137.76 1aov n PRO 409 Ca -0.18 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1aov n PRO 409 Cb 0.53 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1aov n PRO 409 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1aov n VAL 410 N 0.13 0.03 -4.95 0.52 0.31 0.21 -4.66 118.33 109.92 1aov n VAL 410 Ca 0.06 0.01 -0.28 0.00 -0.01 0.00 0.00 64.34 64.13 1aov n VAL 410 Cb 0.36 -0.96 -0.16 0.00 -0.91 0.00 0.00 33.84 32.17 1aov n VAL 410 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1aov s VAL 411 N -1.03 1.61 -0.03 2.52 -7.23 -1.26 -2.31 120.40 112.67 1aov s VAL 411 Ca 0.00 -0.80 -0.05 0.00 -1.81 0.00 0.00 61.98 59.32 1aov s VAL 411 Cb 0.00 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 1aov s VAL 411 CO 0.00 0.46 0.19 -0.83 -0.31 0.00 0.00 175.10 174.61 1aov s GLY 412 N 0.12 2.19 -0.19 2.32 0.00 -0.15 -0.00 107.32 111.61 1aov s GLY 412 Ca -0.07 -0.69 -0.29 0.00 0.00 0.00 0.00 44.72 43.66 1aov s GLY 412 CO 0.04 -0.53 1.03 -0.54 0.00 0.00 0.00 173.10 173.10 1aov s GLU 413 N -1.69 4.31 -0.04 2.90 2.02 0.35 -0.35 118.70 126.20 1aov s GLU 413 Ca 0.24 1.38 0.05 0.00 0.02 0.00 0.00 54.97 56.67 1aov s GLU 413 Cb -0.13 -3.61 -0.02 0.00 0.10 0.00 0.00 34.13 30.47 1aov s GLU 413 CO 0.15 -0.53 -0.20 0.45 0.02 0.00 0.00 175.26 175.15 1aov s SER 414 N 1.18 3.53 0.00 -0.19 0.15 -0.94 -4.55 113.70 112.89 1aov s SER 414 Ca 0.46 -0.35 0.17 0.00 0.70 0.00 0.00 55.95 56.93 1aov s SER 414 Cb -0.16 -0.68 0.42 0.00 -1.71 0.00 0.00 66.02 63.89 1aov s SER 414 CO 0.10 0.32 1.34 -1.22 1.20 0.00 0.00 173.24 174.98 1aov n TYR 415 N 2.49 0.60 -4.01 3.44 4.01 -1.26 -0.57 117.16 121.86 1aov n TYR 415 Ca -0.17 -0.41 -0.31 0.00 -0.16 0.00 0.00 57.90 56.85 1aov n TYR 415 Cb 0.52 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.38 1aov n TYR 415 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1aov s GLU 416 N -1.08 2.10 0.00 -0.72 8.01 -1.26 -4.59 118.70 121.16 1aov s GLU 416 Ca 0.34 -0.95 0.00 0.00 0.01 0.00 0.00 54.97 54.37 1aov s GLU 416 Cb 0.18 -2.53 0.00 0.00 -4.31 0.00 0.00 34.13 27.47 1aov s GLU 416 CO 0.24 -0.45 0.21 -0.40 0.01 0.00 0.00 175.26 174.87 1aov n ASP 417 N 4.63 0.05 0.00 -0.19 5.75 -1.26 -2.86 116.55 122.67 1aov n ASP 417 Ca -0.15 -0.46 0.00 0.00 -0.01 0.00 0.00 54.79 54.17 1aov n ASP 417 Cb 0.46 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1aov n ASP 417 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1aov n GLU 418 N -0.32 2.85 0.00 0.11 1.02 -1.26 -5.00 120.64 118.04 1aov n GLU 418 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1aov n GLU 418 Cb 0.01 -0.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 1aov n GLU 418 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1aov n THR 419 N -0.80 0.00 -3.62 2.62 -2.24 -1.13 -4.92 114.28 104.19 1aov n THR 419 Ca 0.00 0.19 -0.40 0.00 -2.27 0.00 0.00 64.05 61.58 1aov n THR 419 Cb 0.07 -1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 67.03 1aov n THR 419 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1aov s GLN 420 N -0.42 2.57 0.00 -0.78 1.11 -1.23 -4.24 119.66 116.67 1aov s GLN 420 Ca 0.00 -1.48 0.00 0.00 0.01 0.00 0.00 55.36 53.89 1aov s GLN 420 Cb 0.00 -3.76 0.00 0.00 -1.01 0.00 0.00 33.01 28.24 1aov s GLN 420 CO 0.00 -0.96 0.00 0.00 0.01 0.00 0.00 175.29 174.34 1aov n SER 422 N 0.00 0.00 -0.06 0.00 3.41 -1.26 -4.72 113.62 110.99 1aov n SER 422 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 1aov n SER 422 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1aov n SER 422 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1aov h LYS 423 N 0.00 0.09 -1.67 4.33 1.57 -1.98 -3.32 116.57 115.59 1aov h LYS 423 Ca 0.00 -0.16 0.48 0.00 -1.87 0.00 0.00 60.65 59.11 1aov h LYS 423 Cb 0.00 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.30 1aov h LYS 423 CO 0.00 1.08 1.37 0.22 -0.57 0.00 0.00 179.45 181.54 1aov h ASP 424 N -0.72 0.00 -3.28 0.86 3.58 -1.89 -3.40 116.42 111.57 1aov h ASP 424 Ca -0.28 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.60 1aov h ASP 424 Cb 1.44 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.44 1aov h ASP 424 CO -0.07 0.00 -0.01 -1.83 -2.88 0.00 0.00 179.24 174.45 1aov s GLU 425 N -4.72 4.27 0.00 0.28 -1.05 -1.25 -3.50 118.70 112.73 1aov s GLU 425 Ca -0.04 0.76 0.00 0.00 -0.15 0.00 0.00 54.97 55.54 1aov s GLU 425 Cb 0.23 -3.28 0.00 0.00 -0.44 0.00 0.00 34.13 30.63 1aov s GLU 425 CO 0.75 0.53 0.00 -0.85 0.95 0.00 0.00 175.26 176.64 1aov n GLU 426 N 2.11 0.00 -3.64 -4.83 -0.00 -1.26 -4.76 120.64 108.25 1aov n GLU 426 Ca -0.09 0.00 -0.15 0.00 -0.00 0.00 0.00 57.16 56.93 1aov n GLU 426 Cb 0.51 -0.49 -0.08 0.00 -0.00 0.00 0.00 31.44 31.38 1aov n GLU 426 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1aov s GLN 427 N -2.00 0.79 0.33 3.44 -0.21 -1.26 -5.07 119.66 115.68 1aov s GLN 427 Ca 0.00 0.66 -0.29 0.00 0.02 0.00 0.00 55.36 55.75 1aov s GLN 427 Cb 0.00 0.38 -0.11 0.00 1.00 0.00 0.00 33.01 34.28 1aov s GLN 427 CO 0.00 -0.14 1.53 -1.25 -2.12 0.00 0.00 175.29 173.30 1aov s PRO 428 N -0.11 4.14 -0.64 2.91 0.04 -1.26 -4.92 135.00 135.15 1aov s PRO 428 Ca -0.03 2.54 -0.27 0.00 0.04 0.00 0.00 61.00 63.28 1aov s PRO 428 Cb -0.03 -3.01 0.01 0.00 0.04 0.00 0.00 34.50 31.51 1aov s PRO 428 CO 0.03 -0.56 1.50 0.00 0.04 0.00 0.00 177.00 178.02 1aov s ALA 429 N -0.51 2.59 1.00 8.56 0.00 -1.26 -4.82 121.76 127.32 1aov s ALA 429 Ca 0.58 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1aov s ALA 429 Cb -0.46 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.43 1aov s ALA 429 CO 0.54 -3.36 0.00 2.48 0.00 0.00 0.00 175.76 175.42 1aov n TYR 430 N 10.47 -2.05 0.00 0.00 0.18 -1.26 -4.76 117.16 119.74 1aov n TYR 430 Ca 0.11 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.89 1aov n TYR 430 Cb 0.50 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.46 1aov n TYR 430 CO 0.00 0.00 0.00 2.48 -2.08 0.00 0.00 176.86 177.26 1aov n TYR 431 N -2.90 0.00 0.00 -3.48 4.11 -1.09 -4.94 117.16 108.86 1aov n TYR 431 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1aov n TYR 431 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1aov n TYR 431 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1aov n PHE 432 N 0.00 0.00 0.00 -3.48 7.35 -1.26 -2.15 117.46 117.92 1aov n PHE 432 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1aov n PHE 432 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1aov n PHE 432 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1aov n ALA 433 N -3.00 0.00 -3.31 3.13 0.00 -0.63 0.28 120.51 116.98 1aov n ALA 433 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1aov n ALA 433 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1aov n ALA 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1aov s VAL 434 N -0.51 0.03 -0.31 0.00 0.11 0.61 -1.67 120.40 118.66 1aov s VAL 434 Ca 0.00 -0.28 -0.07 0.00 -2.93 0.00 0.00 61.98 58.70 1aov s VAL 434 Cb 0.00 -0.89 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 1aov s VAL 434 CO 0.00 -0.16 0.09 0.00 -3.33 0.00 0.00 175.10 171.70 1aov s ALA 435 N -1.88 3.07 0.17 1.54 0.00 -1.26 -0.93 121.76 122.48 1aov s ALA 435 Ca -0.09 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.38 1aov s ALA 435 Cb -0.02 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1aov s ALA 435 CO 0.02 -1.02 0.32 0.08 0.00 0.00 0.00 175.76 175.16 1aov s VAL 436 N 1.48 5.29 0.00 0.00 1.01 0.13 -1.54 120.40 126.78 1aov s VAL 436 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1aov s VAL 436 Cb -0.18 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1aov s VAL 436 CO 0.03 -0.14 0.00 1.33 0.00 0.00 0.00 175.10 176.31 1aov n VAL 437 N -0.69 0.00 -0.60 2.92 0.24 -0.95 -1.00 118.33 118.25 1aov n VAL 437 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1aov n VAL 437 Cb 0.54 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1aov n VAL 437 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1aov n LYS 438 N 0.00 3.35 0.16 7.34 5.02 -1.26 -2.68 118.16 130.08 1aov n LYS 438 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1aov n LYS 438 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1aov n LYS 438 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1aov h LYS 439 N 0.00 -0.39 -4.22 1.97 1.79 -1.90 -3.39 116.57 110.43 1aov h LYS 439 Ca 0.00 0.03 -0.29 0.00 -2.18 0.00 0.00 60.65 58.21 1aov h LYS 439 Cb 0.00 0.09 -0.10 0.00 -1.58 0.00 0.00 32.23 30.64 1aov h LYS 439 CO 0.00 -0.26 1.67 -1.13 -1.08 0.00 0.00 179.45 178.65 1aov n SER 440 N -3.13 -1.27 -2.69 0.86 3.41 -1.26 -4.76 113.62 104.78 1aov n SER 440 Ca -0.05 -0.51 -0.19 0.00 -0.26 0.00 0.00 58.87 57.86 1aov n SER 440 Cb 0.16 -0.45 -0.07 0.00 -0.26 0.00 0.00 64.21 63.59 1aov n SER 440 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1aov n SER 441 N 4.59 5.22 -0.05 4.04 2.88 -1.26 -3.17 113.62 125.86 1aov n SER 441 Ca 0.54 -2.33 -0.05 0.00 -1.33 0.00 0.00 58.87 55.70 1aov n SER 441 Cb 0.14 -1.17 -0.08 0.00 -0.75 0.00 0.00 64.21 62.34 1aov n SER 441 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aov n ALA 442 N 3.30 1.74 -2.37 -1.46 0.00 -1.26 -5.01 120.51 115.44 1aov n ALA 442 Ca 0.45 -0.68 -0.36 0.00 0.00 0.00 0.00 53.44 52.85 1aov n ALA 442 Cb 0.42 0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 1aov n ALA 442 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1aov s ILE 443 N -2.25 4.87 0.18 0.00 1.01 -1.19 -5.03 121.20 118.79 1aov s ILE 443 Ca -0.06 0.90 -0.09 0.00 0.00 0.00 0.00 60.65 61.40 1aov s ILE 443 Cb 0.03 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 1aov s ILE 443 CO 0.42 0.37 0.30 0.42 0.00 0.00 0.00 174.94 176.45 1aov s THR 444 N -1.32 0.05 0.09 2.92 -4.23 -1.26 -5.02 115.64 106.87 1aov s THR 444 Ca 0.33 -1.43 -0.31 0.00 -1.18 0.00 0.00 61.69 59.11 1aov s THR 444 Cb -0.16 -1.94 -0.15 0.00 1.34 0.00 0.00 72.50 71.59 1aov s THR 444 CO 0.18 -0.23 1.63 -0.25 -0.54 0.00 0.00 174.62 175.41 1aov h TRP 445 N 2.50 -0.79 0.00 3.99 2.91 -1.81 -2.02 115.95 120.74 1aov h TRP 445 Ca -0.31 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.70 1aov h TRP 445 Cb 1.23 0.29 0.00 0.00 -0.51 0.00 0.00 29.16 30.17 1aov h TRP 445 CO 0.39 -0.45 0.00 0.09 -1.03 0.00 0.00 178.44 177.45 1aov n ASN 446 N -5.43 0.00 -0.19 2.65 3.02 -1.26 -1.36 115.26 112.69 1aov n ASN 446 Ca -0.11 -0.58 0.02 0.00 -0.03 0.00 0.00 54.58 53.89 1aov n ASN 446 Cb 0.33 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.53 1aov n ASN 446 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1aov n ASN 447 N -0.90 1.62 0.30 6.41 6.94 -0.80 -4.76 115.26 124.08 1aov n ASN 447 Ca 0.09 -1.39 0.19 0.00 -0.02 0.00 0.00 54.58 53.45 1aov n ASN 447 Cb 0.04 -0.02 1.02 0.00 -2.36 0.00 0.00 39.78 38.45 1aov n ASN 447 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1aov h LEU 448 N 0.83 0.00 -9.65 -4.53 4.07 -0.81 -3.44 115.31 101.78 1aov h LEU 448 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 1aov h LEU 448 Cb 0.29 0.00 0.06 0.00 1.08 0.00 0.00 40.66 42.09 1aov h LEU 448 CO 0.00 0.00 0.97 1.67 -1.08 0.00 0.00 178.44 180.00 1aov n GLN 449 N -3.31 2.68 -0.80 1.13 7.27 -1.26 -1.92 117.38 121.16 1aov n GLN 449 Ca -0.02 0.97 0.00 0.00 0.07 0.00 0.00 57.00 58.02 1aov n GLN 449 Cb 0.19 -2.79 0.00 0.00 2.41 0.00 0.00 30.24 30.05 1aov n GLN 449 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1aov n GLY 450 N 3.72 0.79 1.62 1.69 0.00 0.35 -4.95 105.19 108.40 1aov n GLY 450 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1aov n GLY 450 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aov n LYS 451 N -2.31 -0.42 -3.67 1.61 4.76 -0.81 -3.59 118.16 113.72 1aov n LYS 451 Ca 0.00 -0.90 -0.39 0.00 -2.87 0.00 0.00 58.31 54.15 1aov n LYS 451 Cb 0.00 -0.53 -0.12 0.00 -1.84 0.00 0.00 35.03 32.54 1aov n LYS 451 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1aov s LYS 452 N -4.12 2.93 0.16 1.97 1.02 -1.25 -2.03 119.74 118.41 1aov s LYS 452 Ca 0.31 -0.99 0.05 0.00 0.02 0.00 0.00 55.97 55.36 1aov s LYS 452 Cb -0.01 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 1aov s LYS 452 CO 0.22 -0.59 0.13 -1.54 -0.92 0.00 0.00 175.35 172.65 1aov s SER 453 N 1.52 5.53 -0.11 2.83 1.04 -1.17 -0.14 113.70 123.19 1aov s SER 453 Ca 0.02 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.34 1aov s SER 453 Cb -0.18 -1.45 -0.02 0.00 0.10 0.00 0.00 66.02 64.47 1aov s SER 453 CO 0.05 0.08 -0.13 0.00 0.98 0.00 0.00 173.24 174.21 1aov s HIS 455 N 0.06 1.07 0.30 0.00 3.76 0.21 -3.07 115.29 117.62 1aov s HIS 455 Ca -0.05 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 54.45 1aov s HIS 455 Cb -0.15 -0.61 0.64 0.00 1.11 0.00 0.00 32.58 33.57 1aov s HIS 455 CO 0.04 0.02 1.82 1.79 -0.85 0.00 0.00 174.74 177.56 1aov h THR 456 N 4.40 0.85 0.00 1.30 1.35 -1.76 -3.37 112.91 115.68 1aov h THR 456 Ca -0.39 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1aov h THR 456 Cb 1.19 -0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1aov h THR 456 CO 0.41 0.16 0.00 0.00 -0.25 0.00 0.00 175.52 175.85 1aov n ALA 457 N -2.35 0.00 -1.40 6.62 0.00 -1.26 -1.94 120.51 120.17 1aov n ALA 457 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.34 1aov n ALA 457 Cb 0.43 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.98 1aov n ALA 457 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1aov s VAL 458 N -2.00 3.22 -0.55 0.00 1.01 -1.08 -3.53 120.40 117.47 1aov s VAL 458 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1aov s VAL 458 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1aov s VAL 458 CO 0.00 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.19 1aov n GLY 459 N -1.62 0.70 3.64 4.51 0.00 -1.26 -4.96 105.19 106.21 1aov n GLY 459 Ca 0.08 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1aov n GLY 459 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aov s ARG 460 N -1.94 2.42 0.00 1.61 0.52 -1.23 -4.92 118.95 115.41 1aov s ARG 460 Ca 0.00 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.33 1aov s ARG 460 Cb 0.00 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 33.00 1aov s ARG 460 CO 0.00 0.54 0.64 2.41 0.02 0.00 0.00 175.30 178.91 1aov n THR 461 N 0.71 0.00 -0.20 0.02 -1.04 -1.26 -0.15 114.28 112.36 1aov n THR 461 Ca -0.12 1.14 -0.09 0.00 -2.04 0.00 0.00 64.05 62.94 1aov n THR 461 Cb 0.52 -1.86 -0.04 0.00 -1.82 0.00 0.00 70.33 67.13 1aov n THR 461 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aov h ALA 462 N -1.84 -0.38 0.00 2.41 0.00 -1.94 -1.32 119.26 116.19 1aov h ALA 462 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1aov h ALA 462 Cb 0.00 0.99 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1aov h ALA 462 CO 0.00 -0.86 -1.43 0.41 0.00 0.00 0.00 179.25 177.38 1aov n GLY 463 N -1.40 -1.21 0.88 0.00 0.00 -1.26 -4.01 105.19 98.20 1aov n GLY 463 Ca 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1aov n GLY 463 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1aov n TRP 464 N -2.84 0.00 0.31 1.61 -0.00 -0.73 -4.33 117.44 111.45 1aov n TRP 464 Ca -0.09 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.24 1aov n TRP 464 Cb 0.81 -0.09 -0.09 0.00 -0.00 0.00 0.00 31.31 31.95 1aov n TRP 464 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1aov h ASN 465 N -0.17 -0.62 0.60 5.87 2.35 0.06 -2.65 115.58 121.01 1aov h ASN 465 Ca 0.00 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1aov h ASN 465 Cb 0.17 0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.71 1aov h ASN 465 CO 0.00 -0.43 -0.29 0.40 -1.65 0.00 0.00 177.43 175.46 1aov h ILE 466 N -0.75 0.34 0.13 2.81 1.08 -1.51 0.24 117.51 119.85 1aov h ILE 466 Ca -0.08 -0.23 0.02 0.00 -0.39 0.00 0.00 64.86 64.18 1aov h ILE 466 Cb 0.57 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 1aov h ILE 466 CO 0.12 0.03 -0.39 1.55 -0.69 0.00 0.00 178.15 178.77 1aov h PRO 467 N -0.97 -0.61 -0.21 2.37 0.13 -1.80 -1.20 132.00 129.71 1aov h PRO 467 Ca -0.08 0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 1aov h PRO 467 Cb 0.66 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1aov h PRO 467 CO 0.13 -0.40 -0.03 0.52 -0.23 0.00 0.00 178.00 177.99 1aov h MET 468 N -0.63 0.31 0.85 0.86 2.86 -1.47 0.36 114.93 118.07 1aov h MET 468 Ca 0.02 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1aov h MET 468 Cb 0.65 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.27 1aov h MET 468 CO -0.22 0.37 -0.41 0.78 1.06 0.00 0.00 176.91 178.49 1aov h GLY 469 N 0.65 -1.19 -0.05 8.32 0.00 0.13 0.58 103.07 111.51 1aov h GLY 469 Ca 0.07 0.44 0.15 0.00 0.00 0.00 0.00 47.33 47.99 1aov h GLY 469 CO 0.01 -0.43 0.15 1.41 0.00 0.00 0.00 176.54 177.67 1aov h LEU 470 N -1.27 -0.03 -0.53 3.11 4.07 -0.72 0.26 115.31 120.20 1aov h LEU 470 Ca -0.12 0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1aov h LEU 470 Cb 0.88 0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.79 1aov h LEU 470 CO 0.19 -0.04 0.31 0.40 -1.08 0.00 0.00 178.44 178.22 1aov h ILE 471 N 0.25 1.17 0.00 1.22 2.04 -0.89 -0.92 117.51 120.37 1aov h ILE 471 Ca 0.39 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1aov h ILE 471 Cb 0.66 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1aov h ILE 471 CO -0.50 0.17 -0.09 -0.74 0.00 0.00 0.00 178.15 176.98 1aov h HIS 472 N 0.71 0.00 -0.46 1.37 2.76 0.11 0.11 115.15 119.74 1aov h HIS 472 Ca 0.19 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1aov h HIS 472 Cb 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 1aov h HIS 472 CO -0.02 0.09 0.15 -0.97 -1.30 0.00 0.00 177.93 175.88 1aov h ASN 473 N 0.00 0.67 -0.06 3.26 -0.73 0.15 -1.02 115.58 117.86 1aov h ASN 473 Ca -0.00 -0.20 -0.03 0.00 1.87 0.00 0.00 56.30 57.94 1aov h ASN 473 Cb 0.36 -0.17 -0.00 0.00 0.27 0.00 0.00 38.32 38.78 1aov h ASN 473 CO 0.01 0.69 -0.08 0.11 -0.37 0.00 0.00 177.43 177.79 1aov h LYS 474 N 0.61 0.15 0.00 6.67 1.57 -0.73 -3.38 116.57 121.46 1aov h LYS 474 Ca 0.15 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.69 1aov h LYS 474 Cb 0.26 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1aov h LYS 474 CO -0.01 0.64 -0.82 1.79 -0.57 0.00 0.00 179.45 180.48 1aov h THR 475 N -0.32 1.07 -0.02 -0.16 1.35 -0.58 -3.48 112.91 110.75 1aov h THR 475 Ca 0.01 -2.57 -0.01 0.00 -0.55 0.00 0.00 66.41 63.29 1aov h THR 475 Cb 0.63 2.50 -0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1aov h THR 475 CO 0.02 0.61 -0.01 0.61 -0.25 0.00 0.00 175.52 176.50 1aov n GLY 476 N 1.30 0.30 3.30 5.82 0.00 -0.41 -4.99 105.19 110.51 1aov n GLY 476 Ca -0.01 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1aov n GLY 476 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aov s SER 477 N -2.04 2.42 -0.51 1.61 1.04 -1.26 -4.99 113.70 109.96 1aov s SER 477 Ca 0.00 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 55.54 1aov s SER 477 Cb 0.00 -0.12 0.31 0.00 0.10 0.00 0.00 66.02 66.31 1aov s SER 477 CO 0.00 -0.10 2.09 0.00 0.98 0.00 0.00 173.24 176.21 1aov n ASP 479 N -0.19 0.71 0.00 0.00 2.03 -1.26 -4.82 116.55 113.03 1aov n ASP 479 Ca 0.47 0.61 0.00 0.00 0.52 0.00 0.00 54.79 56.39 1aov n ASP 479 Cb 0.59 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 1aov n ASP 479 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1aov n PHE 480 N -2.22 0.00 0.23 -0.67 3.72 -1.26 -0.48 117.46 116.78 1aov n PHE 480 Ca 0.04 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.31 1aov n PHE 480 Cb 0.33 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.80 1aov n PHE 480 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1aov h ASP 481 N 0.00 -0.96 -0.55 4.37 1.82 -1.94 -3.29 116.42 115.86 1aov h ASP 481 Ca 0.00 0.07 -0.72 0.00 -0.39 0.00 0.00 57.03 55.99 1aov h ASP 481 Cb 0.00 0.31 -0.08 0.00 0.68 0.00 0.00 39.33 40.24 1aov h ASP 481 CO 0.00 -0.49 2.66 -0.67 -1.61 0.00 0.00 179.24 179.14 1aov n ASP 482 N -4.57 4.37 0.01 2.28 -0.08 0.37 -2.79 116.55 116.14 1aov n ASP 482 Ca -0.09 -2.92 0.00 0.00 -1.51 0.00 0.00 54.79 50.27 1aov n ASP 482 Cb 0.33 -1.62 0.00 0.00 2.34 0.00 0.00 41.12 42.17 1aov n ASP 482 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1aov n TYR 483 N 5.82 -0.65 -3.07 -0.67 9.36 -1.24 -4.82 117.16 121.88 1aov n TYR 483 Ca 0.48 0.04 -0.22 0.00 3.32 0.00 0.00 57.90 61.51 1aov n TYR 483 Cb 0.39 0.54 0.01 0.00 -0.63 0.00 0.00 39.34 39.66 1aov n TYR 483 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1aov s PHE 484 N -2.00 3.23 0.12 2.98 0.08 -1.12 -0.50 117.98 120.76 1aov s PHE 484 Ca 0.00 0.18 -0.13 0.00 0.12 0.00 0.00 56.93 57.10 1aov s PHE 484 Cb 0.00 -2.24 -0.07 0.00 -0.57 0.00 0.00 43.02 40.14 1aov s PHE 484 CO 0.00 -0.28 1.45 1.03 -0.10 0.00 0.00 175.22 177.32 1aov h SER 485 N 0.49 0.85 0.00 1.36 0.87 -1.47 -3.43 113.55 112.22 1aov h SER 485 Ca -0.46 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 59.63 1aov h SER 485 Cb 1.25 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1aov h SER 485 CO 0.57 1.14 0.00 -1.84 -0.53 0.00 0.00 176.83 176.17 1aov n GLU 486 N -4.19 0.00 0.00 2.24 0.28 -1.25 -4.91 120.64 112.81 1aov n GLU 486 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1aov n GLU 486 Cb 0.49 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.36 1aov n GLU 486 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1aov n GLY 487 N -0.24 1.58 2.94 -1.84 0.00 -0.74 -3.07 105.19 103.82 1aov n GLY 487 Ca 0.00 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 1aov n GLY 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aov s ALA 489 N 0.74 -0.56 0.26 0.00 0.00 0.44 0.68 121.76 123.33 1aov s ALA 489 Ca -0.11 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 1aov s ALA 489 Cb -0.14 -1.73 -0.13 0.00 0.00 0.00 0.00 23.12 21.12 1aov s ALA 489 CO 0.01 -1.58 1.31 -2.30 0.00 0.00 0.00 175.76 173.20 1aov n PRO 490 N 5.32 1.89 -0.82 0.00 -0.02 -1.26 -1.42 135.00 138.70 1aov n PRO 490 Ca -0.03 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1aov n PRO 490 Cb 0.47 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1aov n PRO 490 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aov n GLY 491 N 1.70 0.76 3.71 -1.23 0.00 0.10 -2.63 105.19 107.61 1aov n GLY 491 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1aov n GLY 491 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aov s SER 492 N -2.54 3.95 -0.14 1.61 0.01 -0.51 -4.92 113.70 111.17 1aov s SER 492 Ca 0.00 2.28 -0.29 0.00 1.31 0.00 0.00 55.95 59.25 1aov s SER 492 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1aov s SER 492 CO 0.00 -2.42 1.56 -2.16 0.41 0.00 0.00 173.24 170.62 1aov s PRO 493 N -4.13 4.06 0.45 12.44 0.04 -1.26 -4.87 135.00 141.72 1aov s PRO 493 Ca 0.72 1.89 0.15 0.00 0.04 0.00 0.00 61.00 63.80 1aov s PRO 493 Cb -0.27 -3.96 0.81 0.00 0.04 0.00 0.00 34.50 31.13 1aov s PRO 493 CO 0.49 -0.97 1.38 -1.35 0.04 0.00 0.00 177.00 176.58 1aov h PRO 494 N 9.65 0.00 0.00 0.56 0.11 -1.95 0.56 132.00 140.94 1aov h PRO 494 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1aov h PRO 494 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1aov h PRO 494 CO 0.97 0.00 -0.12 0.27 -0.21 0.00 0.00 178.00 178.92 1aov n ASN 495 N -2.29 0.41 -4.74 -2.05 0.23 -1.26 -4.77 115.26 100.79 1aov n ASN 495 Ca -0.01 0.41 -0.42 0.00 -0.53 0.00 0.00 54.58 54.03 1aov n ASN 495 Cb 0.45 -0.46 -0.03 0.00 -2.08 0.00 0.00 39.78 37.66 1aov n ASN 495 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1aov s SER 496 N -3.67 6.67 0.61 0.53 0.15 0.20 -4.86 113.70 113.32 1aov s SER 496 Ca 0.12 2.62 0.29 0.00 0.70 0.00 0.00 55.95 59.68 1aov s SER 496 Cb 0.16 -2.61 1.57 0.00 -1.71 0.00 0.00 66.02 63.43 1aov s SER 496 CO 0.59 -0.71 1.96 0.03 1.20 0.00 0.00 173.24 176.32 1aov h ARG 497 N 5.49 0.00 -0.71 5.44 3.08 -1.87 0.63 114.38 126.44 1aov h ARG 497 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1aov h ARG 497 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1aov h ARG 497 CO 0.81 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.99 1aov n LEU 498 N -3.55 2.50 -0.00 3.04 4.77 -1.26 -1.43 117.00 121.06 1aov n LEU 498 Ca 0.04 -1.26 0.02 0.00 -0.03 0.00 0.00 56.01 54.78 1aov n LEU 498 Cb 0.50 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1aov n LEU 498 CO 0.24 0.39 -0.23 0.00 -1.33 0.00 0.00 177.39 176.47 1aov h LYS 500 N 0.00 0.18 0.00 0.00 1.63 -1.24 -2.61 116.57 114.53 1aov h LYS 500 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1aov h LYS 500 Cb 0.15 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1aov h LYS 500 CO 0.00 0.12 -0.35 1.28 -3.45 0.00 0.00 179.45 177.05 1aov n LEU 501 N -5.19 0.56 -4.77 5.20 4.77 -1.09 -4.90 117.00 111.57 1aov n LEU 501 Ca 0.08 0.31 -0.41 0.00 -0.03 0.00 0.00 56.01 55.96 1aov n LEU 501 Cb 0.33 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1aov n LEU 501 CO 0.15 -0.04 1.13 0.00 -1.33 0.00 0.00 177.39 177.30 1aov n GLN 503 N 0.80 1.63 0.00 0.00 1.13 -1.26 -4.94 117.38 114.75 1aov n GLN 503 Ca 0.02 -0.38 0.00 0.00 -1.94 0.00 0.00 57.00 54.70 1aov n GLN 503 Cb 0.39 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.46 1aov n GLN 503 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aov n GLY 504 N 1.30 0.41 3.56 1.08 0.00 -1.14 -4.07 105.19 106.33 1aov n GLY 504 Ca 0.05 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 1aov n GLY 504 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aov s SER 505 N -4.00 5.79 1.05 1.61 0.01 -1.09 0.12 113.70 117.18 1aov s SER 505 Ca 0.00 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.03 1aov s SER 505 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1aov s SER 505 CO 0.00 -2.18 0.00 0.61 0.41 0.00 0.00 173.24 172.08 1aov n GLY 506 N 6.63 1.43 0.42 3.44 0.00 -1.26 -1.85 105.19 113.99 1aov n GLY 506 Ca 0.39 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1aov n GLY 506 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1aov n GLU 507 N 0.00 0.00 -2.92 1.61 4.07 -1.26 -4.67 120.64 117.47 1aov n GLU 507 Ca 0.00 -0.57 -0.44 0.00 -0.06 0.00 0.00 57.16 56.09 1aov n GLU 507 Cb 0.00 -0.31 -0.02 0.00 -0.06 0.00 0.00 31.44 31.04 1aov n GLU 507 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1aov s ASN 508 N -0.52 6.64 0.00 4.31 -0.87 -0.77 -4.88 114.94 118.84 1aov s ASN 508 Ca 0.00 -2.06 0.00 0.00 -1.57 0.00 0.00 52.86 49.23 1aov s ASN 508 Cb 0.00 -2.40 0.00 0.00 -0.02 0.00 0.00 41.25 38.83 1aov s ASN 508 CO 0.00 -1.06 0.00 -0.11 -2.57 0.00 0.00 177.10 173.36 1aov n LEU 509 N 6.55 0.00 0.00 0.60 7.94 -1.26 -4.71 117.00 126.11 1aov n LEU 509 Ca 0.24 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1aov n LEU 509 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 1aov n LEU 509 CO 0.51 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.97 1aov n LEU 510 N 0.00 0.00 -3.51 -1.96 4.32 -1.26 -4.11 117.00 110.49 1aov n LEU 510 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.72 1aov n LEU 510 Cb 0.00 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 1aov n LEU 510 CO 0.00 0.00 -0.07 -0.62 -1.22 0.00 0.00 177.39 175.48 1aov n GLU 511 N -0.07 1.73 -0.34 3.23 1.02 -1.26 -4.97 120.64 119.97 1aov n GLU 511 Ca 0.00 -4.18 0.23 0.00 -0.02 0.00 0.00 57.16 53.19 1aov n GLU 511 Cb 0.00 -2.00 0.49 0.00 -0.02 0.00 0.00 31.44 29.91 1aov n GLU 511 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1aov h LYS 512 N 4.64 0.38 -0.44 3.49 3.64 -1.87 -3.23 116.57 123.18 1aov h LYS 512 Ca 0.17 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.29 1aov h LYS 512 Cb 0.76 -0.09 -0.39 0.00 -0.41 0.00 0.00 32.23 32.10 1aov h LYS 512 CO 0.68 0.25 -1.10 0.00 -2.27 0.00 0.00 179.45 177.02 1aov s VAL 514 N -3.66 5.06 -1.17 0.00 1.01 -1.22 0.03 120.40 120.45 1aov s VAL 514 Ca 0.26 0.37 -0.14 0.00 0.00 0.00 0.00 61.98 62.47 1aov s VAL 514 Cb 0.33 -3.64 0.16 0.00 0.00 0.00 0.00 36.38 33.23 1aov s VAL 514 CO -0.04 0.14 1.39 0.00 0.00 0.00 0.00 175.10 176.60 1aov s ALA 515 N -1.56 3.91 -0.01 5.51 0.00 -1.26 -4.36 121.76 123.99 1aov s ALA 515 Ca 0.38 -3.27 -0.29 0.00 0.00 0.00 0.00 51.96 48.78 1aov s ALA 515 Cb -0.13 -4.12 0.10 0.00 0.00 0.00 0.00 23.12 18.97 1aov s ALA 515 CO 0.21 -2.81 0.92 -1.54 0.00 0.00 0.00 175.76 172.54 1aov s SER 516 N 2.96 -0.33 0.00 0.00 1.04 -1.26 -4.97 113.70 111.14 1aov s SER 516 Ca 0.41 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1aov s SER 516 Cb -0.03 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1aov s SER 516 CO -0.01 -0.61 0.17 -1.20 0.98 0.00 0.00 173.24 172.57 1aov n SER 517 N -0.26 0.40 -1.32 7.02 7.64 -1.26 -1.57 113.62 124.27 1aov n SER 517 Ca -0.08 -0.58 0.03 0.00 1.01 0.00 0.00 58.87 59.25 1aov n SER 517 Cb 0.61 -0.14 0.28 0.00 -1.01 0.00 0.00 64.21 63.95 1aov n SER 517 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1aov n HIS 518 N 0.46 1.48 -4.51 1.43 -0.00 -1.26 -4.91 115.22 107.90 1aov n HIS 518 Ca 0.00 -1.06 -0.21 0.00 -0.00 0.00 0.00 57.72 56.45 1aov n HIS 518 Cb 0.09 -0.46 -0.14 0.00 -0.00 0.00 0.00 29.99 29.47 1aov n HIS 518 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 1aov s GLU 519 N -2.94 1.01 0.33 -0.41 2.56 -0.61 -2.68 118.70 115.97 1aov s GLU 519 Ca 0.47 -0.56 0.06 0.00 0.00 0.00 0.00 54.97 54.95 1aov s GLU 519 Cb 0.39 -0.99 0.60 0.00 2.00 0.00 0.00 34.13 36.12 1aov s GLU 519 CO 0.09 0.26 1.83 -0.22 -0.56 0.00 0.00 175.26 176.67 1aov h LYS 520 N 5.54 0.39 -0.43 4.30 3.64 0.60 -3.20 116.57 127.41 1aov h LYS 520 Ca -0.35 -0.11 -0.17 0.00 -1.27 0.00 0.00 60.65 58.75 1aov h LYS 520 Cb 1.17 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.84 1aov h LYS 520 CO 0.47 0.54 0.05 0.66 -2.27 0.00 0.00 179.45 178.90 1aov n TYR 521 N -4.21 1.37 -3.17 1.91 4.01 -1.26 -4.70 117.16 111.11 1aov n TYR 521 Ca 0.00 -1.41 -0.37 0.00 -0.16 0.00 0.00 57.90 55.96 1aov n TYR 521 Cb 0.32 -0.51 -0.06 0.00 -0.31 0.00 0.00 39.34 38.77 1aov n TYR 521 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1aov s TYR 522 N -3.13 3.72 0.00 -0.72 5.04 -1.21 -1.89 117.35 119.15 1aov s TYR 522 Ca 0.46 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 56.43 1aov s TYR 522 Cb 0.40 -2.57 0.00 0.00 0.35 0.00 0.00 41.96 40.14 1aov s TYR 522 CO 0.04 0.44 0.00 0.41 -1.34 0.00 0.00 175.55 175.10 1aov n GLY 523 N 1.09 -1.85 0.07 8.97 0.00 -0.82 -2.54 105.19 110.11 1aov n GLY 523 Ca -0.05 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 1aov n GLY 523 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1aov h TYR 524 N 0.00 0.09 -0.19 1.61 0.05 -1.90 -2.45 116.97 114.17 1aov h TYR 524 Ca 0.00 -0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.80 1aov h TYR 524 Cb 0.00 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 37.67 1aov h TYR 524 CO 0.00 0.60 -0.13 1.15 -1.05 0.00 0.00 178.16 178.73 1aov h THR 525 N -0.45 0.63 -0.38 -2.88 2.02 -1.93 0.04 112.91 109.95 1aov h THR 525 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1aov h THR 525 Cb 0.59 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1aov h THR 525 CO 0.01 0.00 0.15 1.23 0.37 0.00 0.00 175.52 177.28 1aov h GLY 526 N -0.12 0.50 0.99 2.16 0.00 -1.52 -0.40 103.07 104.67 1aov h GLY 526 Ca 0.11 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.36 1aov h GLY 526 CO -0.27 0.05 0.59 0.00 0.00 0.00 0.00 176.54 176.92 1aov h ALA 527 N 1.23 1.14 -0.73 3.60 0.00 -0.87 0.32 119.26 123.94 1aov h ALA 527 Ca 0.17 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1aov h ALA 527 Cb 0.12 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 1aov h ALA 527 CO -0.15 0.52 0.48 1.25 0.00 0.00 0.00 179.25 181.35 1aov h LEU 528 N 1.20 0.67 -0.69 0.00 5.85 0.60 0.20 115.31 123.15 1aov h LEU 528 Ca 0.33 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.91 1aov h LEU 528 Cb -0.12 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1aov h LEU 528 CO -0.08 0.44 -0.62 -0.09 -0.34 0.00 0.00 178.44 177.75 1aov h ARG 529 N 0.77 0.14 -0.04 1.25 2.43 -0.25 -2.92 114.38 115.76 1aov h ARG 529 Ca 0.32 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.30 1aov h ARG 529 Cb 0.25 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1aov h ARG 529 CO -0.11 0.71 -0.37 0.00 -1.51 0.00 0.00 179.97 178.70 1aov h LEU 531 N 0.06 0.51 -0.01 0.00 6.46 -0.98 0.27 115.31 121.63 1aov h LEU 531 Ca 0.01 -0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1aov h LEU 531 Cb 0.68 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1aov h LEU 531 CO 0.05 0.41 0.00 0.58 -0.62 0.00 0.00 178.44 178.87 1aov h VAL 532 N 0.56 1.11 0.17 1.05 2.07 -1.31 -3.30 116.25 116.60 1aov h VAL 532 Ca 0.15 -0.32 -0.28 0.00 0.82 0.00 0.00 66.70 67.08 1aov h VAL 532 Cb 0.00 1.31 0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1aov h VAL 532 CO -0.03 0.08 -1.18 -0.33 0.02 0.00 0.00 177.57 176.13 1aov h GLU 533 N -0.12 0.50 0.00 1.57 5.08 -0.95 -3.46 114.58 117.19 1aov h GLU 533 Ca 0.00 -0.77 0.00 0.00 -1.00 0.00 0.00 59.36 57.60 1aov h GLU 533 Cb 0.13 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1aov h GLU 533 CO -0.00 1.35 0.00 1.04 -1.00 0.00 0.00 179.01 180.40 1aov n GLN 534 N -3.88 0.00 -1.51 2.33 3.00 -1.04 -5.11 117.38 111.17 1aov n GLN 534 Ca -0.15 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.50 1aov n GLN 534 Cb 0.97 -0.02 0.08 0.00 0.00 0.00 0.00 30.24 31.28 1aov n GLN 534 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1aov s GLY 535 N -4.76 2.32 -0.15 1.08 0.00 0.94 -4.96 107.32 101.79 1aov s GLY 535 Ca 0.00 0.82 -0.07 0.00 0.00 0.00 0.00 44.72 45.47 1aov s GLY 535 CO 0.00 1.22 0.24 1.22 0.00 0.00 0.00 173.10 175.78 1aov n ASP 536 N -2.63 2.08 -4.02 1.64 9.92 0.80 -4.41 116.55 119.93 1aov n ASP 536 Ca 0.13 0.18 -0.22 0.00 -0.53 0.00 0.00 54.79 54.34 1aov n ASP 536 Cb 0.51 -0.80 -0.16 0.00 -0.64 0.00 0.00 41.12 40.02 1aov n ASP 536 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1aov s VAL 537 N -2.53 0.98 -0.10 2.53 1.01 -0.87 -4.58 120.40 116.84 1aov s VAL 537 Ca -0.25 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1aov s VAL 537 Cb 0.07 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1aov s VAL 537 CO 0.72 0.30 -0.16 0.00 0.00 0.00 0.00 175.10 175.97 1aov s ALA 538 N 0.33 2.55 -0.24 5.51 0.00 -0.17 -0.54 121.76 129.20 1aov s ALA 538 Ca -0.07 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 1aov s ALA 538 Cb -0.11 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 1aov s ALA 538 CO 0.02 0.36 0.02 -0.06 0.00 0.00 0.00 175.76 176.09 1aov s PHE 539 N -0.02 3.03 0.29 0.00 0.08 -1.17 0.22 117.98 120.40 1aov s PHE 539 Ca -0.04 -0.72 -0.09 0.00 0.12 0.00 0.00 56.93 56.20 1aov s PHE 539 Cb -0.14 -2.18 0.04 0.00 -0.57 0.00 0.00 43.02 40.17 1aov s PHE 539 CO 0.04 -0.47 0.54 1.51 -0.10 0.00 0.00 175.22 176.74 1aov n ILE 540 N 4.86 0.00 -3.29 0.64 3.06 -0.11 -4.05 119.36 120.48 1aov n ILE 540 Ca -0.17 -0.87 -0.25 0.00 -2.50 0.00 0.00 62.75 58.96 1aov n ILE 540 Cb 0.51 0.75 -0.01 0.00 0.54 0.00 0.00 39.64 41.43 1aov n ILE 540 CO 0.00 0.00 0.00 -1.59 -2.50 0.00 0.00 176.55 172.46 1aov s LYS 541 N -2.19 3.52 0.00 9.51 -2.85 -1.26 -0.28 119.74 126.19 1aov s LYS 541 Ca 0.14 -0.21 0.06 0.00 -1.00 0.00 0.00 55.97 54.96 1aov s LYS 541 Cb -0.03 -2.63 0.29 0.00 -2.06 0.00 0.00 37.83 33.41 1aov s LYS 541 CO 0.10 0.12 1.04 -2.39 0.10 0.00 0.00 175.35 174.33 1aov n HIS 542 N -1.66 0.00 1.00 1.78 1.44 -1.26 -2.08 115.22 114.43 1aov n HIS 542 Ca -0.04 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.78 1aov n HIS 542 Cb 0.56 -0.30 0.03 0.00 0.12 0.00 0.00 29.99 30.39 1aov n HIS 542 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1aov n SER 543 N -1.30 0.81 -0.18 4.39 3.41 -1.26 -4.55 113.62 114.95 1aov n SER 543 Ca 0.03 -0.71 -0.07 0.00 -0.26 0.00 0.00 58.87 57.86 1aov n SER 543 Cb 0.05 0.70 0.02 0.00 -0.26 0.00 0.00 64.21 64.72 1aov n SER 543 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1aov h THR 544 N 0.03 1.13 0.45 6.66 2.02 -1.82 -2.81 112.91 118.57 1aov h THR 544 Ca 0.00 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1aov h THR 544 Cb 0.50 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1aov h THR 544 CO 0.00 0.13 -0.21 0.58 0.37 0.00 0.00 175.52 176.38 1aov h VAL 545 N 0.71 0.56 -0.29 3.16 2.07 -1.81 -3.10 116.25 117.55 1aov h VAL 545 Ca 0.19 -0.03 -0.22 0.00 0.82 0.00 0.00 66.70 67.47 1aov h VAL 545 Cb -0.08 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 30.19 1aov h VAL 545 CO -0.04 0.01 0.03 0.61 0.02 0.00 0.00 177.57 178.19 1aov n GLY 546 N -1.30 3.31 0.00 2.17 0.00 -1.08 -2.15 105.19 106.15 1aov n GLY 546 Ca -0.11 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1aov n GLY 546 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1aov n GLU 547 N 1.49 1.99 0.00 1.61 2.13 -1.10 -4.90 120.64 121.86 1aov n GLU 547 Ca 0.29 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1aov n GLU 547 Cb 0.66 -0.17 0.00 0.00 0.27 0.00 0.00 31.44 32.21 1aov n GLU 547 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1aov n ASN 548 N 0.00 3.37 0.00 4.31 3.02 -0.91 -3.95 115.26 121.10 1aov n ASN 548 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1aov n ASN 548 Cb 0.00 0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 1aov n ASN 548 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1aov n VAL 549 N -1.16 0.00 -2.91 2.41 3.14 -1.03 -0.37 118.33 118.41 1aov n VAL 549 Ca 0.00 0.13 -0.44 0.00 -2.96 0.00 0.00 64.34 61.07 1aov n VAL 549 Cb 0.10 -0.27 -0.03 0.00 -1.06 0.00 0.00 33.84 32.58 1aov n VAL 549 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1aov s SER 550 N -1.14 6.53 -1.39 6.55 0.01 -1.22 -3.32 113.70 119.72 1aov s SER 550 Ca 0.00 -1.82 -0.05 0.00 1.31 0.00 0.00 55.95 55.39 1aov s SER 550 Cb 0.00 -2.41 0.01 0.00 0.21 0.00 0.00 66.02 63.83 1aov s SER 550 CO 0.00 -1.15 0.65 0.61 0.41 0.00 0.00 173.24 173.76 1aov n GLY 551 N 5.52 -0.41 0.12 3.44 0.00 -1.26 -4.88 105.19 107.71 1aov n GLY 551 Ca 0.19 0.07 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 1aov n GLY 551 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1aov n SER 552 N -2.23 2.42 -4.42 1.61 7.64 -1.21 -4.88 113.62 112.56 1aov n SER 552 Ca -0.08 -0.06 -0.34 0.00 1.01 0.00 0.00 58.87 59.39 1aov n SER 552 Cb 0.60 -0.33 -0.13 0.00 -1.01 0.00 0.00 64.21 63.34 1aov n SER 552 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1aov s ASN 553 N -5.92 4.41 -0.76 6.43 3.04 0.50 -4.80 114.94 117.84 1aov s ASN 553 Ca -0.26 -0.25 -0.00 0.00 0.04 0.00 0.00 52.86 52.39 1aov s ASN 553 Cb 0.07 -1.71 0.36 0.00 -1.54 0.00 0.00 41.25 38.43 1aov s ASN 553 CO 0.42 0.13 1.79 0.29 -3.04 0.00 0.00 177.10 176.69 1aov n LYS 554 N 3.78 3.07 -4.13 0.43 5.02 -1.26 -4.61 118.16 120.45 1aov n LYS 554 Ca -0.18 -3.84 -0.24 0.00 -2.02 0.00 0.00 58.31 52.03 1aov n LYS 554 Cb 0.52 -2.28 -0.05 0.00 -0.02 0.00 0.00 35.03 33.20 1aov n LYS 554 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1aov s ASP 555 N -1.70 5.34 0.34 4.39 1.01 -1.26 -4.93 116.67 119.85 1aov s ASP 555 Ca 0.50 -0.27 0.02 0.00 0.71 0.00 0.00 52.55 53.51 1aov s ASP 555 Cb 0.41 -1.32 0.60 0.00 1.01 0.00 0.00 42.92 43.62 1aov s ASP 555 CO -0.35 0.02 1.99 0.44 0.21 0.00 0.00 175.17 177.48 1aov h ASP 556 N 1.99 0.79 -0.84 0.27 3.32 -2.00 0.21 116.42 120.16 1aov h ASP 556 Ca -0.48 -0.02 0.12 0.00 0.02 0.00 0.00 57.03 56.68 1aov h ASP 556 Cb 1.22 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 1aov h ASP 556 CO 0.61 0.56 0.54 4.11 -1.72 0.00 0.00 179.24 183.34 1aov h TRP 557 N 0.92 0.77 0.00 4.55 5.08 -1.99 -2.51 115.95 122.77 1aov h TRP 557 Ca 0.27 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.26 1aov h TRP 557 Cb -0.04 -0.25 0.00 0.00 -3.00 0.00 0.00 29.16 25.88 1aov h TRP 557 CO -0.00 0.32 -0.67 0.00 -1.28 0.00 0.00 178.44 176.81 1aov h ALA 558 N 1.60 0.65 -0.86 0.11 0.00 -0.99 -3.43 119.26 116.35 1aov h ALA 558 Ca 0.40 0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.57 1aov h ALA 558 Cb 0.61 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.24 1aov h ALA 558 CO -0.17 0.00 0.10 1.17 0.00 0.00 0.00 179.25 180.35 1aov n LYS 559 N -2.71 -0.07 -1.02 0.00 4.81 -0.21 -0.47 118.16 118.49 1aov n LYS 559 Ca 0.02 1.27 -0.04 0.00 -0.87 0.00 0.00 58.31 58.68 1aov n LYS 559 Cb 0.53 -2.05 0.32 0.00 0.02 0.00 0.00 35.03 33.85 1aov n LYS 559 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aov n GLY 560 N -1.39 3.57 3.82 3.14 0.00 -1.26 -4.91 105.19 108.15 1aov n GLY 560 Ca 0.22 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 1aov n GLY 560 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aov s LEU 561 N -2.97 4.50 0.02 0.99 1.43 0.38 -5.07 118.68 117.97 1aov s LEU 561 Ca 0.56 1.14 -0.07 0.00 -1.03 0.00 0.00 54.13 54.73 1aov s LEU 561 Cb 0.44 -2.77 -0.00 0.00 0.03 0.00 0.00 46.19 43.89 1aov s LEU 561 CO 0.14 0.29 0.13 -0.89 0.23 0.00 0.00 176.35 176.25 1aov s THR 562 N -1.05 0.11 0.61 5.49 2.01 -1.26 -3.40 115.64 118.14 1aov s THR 562 Ca 0.27 -0.88 0.29 0.00 0.31 0.00 0.00 61.69 61.68 1aov s THR 562 Cb -0.18 -0.69 0.36 0.00 0.01 0.00 0.00 72.50 72.00 1aov s THR 562 CO 0.17 -0.49 1.93 0.08 -0.69 0.00 0.00 174.62 175.62 1aov h ARG 563 N 3.89 0.00 0.00 4.92 0.11 -1.94 -1.16 114.38 120.20 1aov h ARG 563 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 1aov h ARG 563 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1aov h ARG 563 CO 0.46 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.13 1aov n ASP 564 N -3.55 0.00 0.22 0.08 5.75 -1.26 -1.69 116.55 116.11 1aov n ASP 564 Ca 0.05 -0.23 0.15 0.00 -0.01 0.00 0.00 54.79 54.76 1aov n ASP 564 Cb 0.55 -0.20 0.57 0.00 -1.03 0.00 0.00 41.12 41.01 1aov n ASP 564 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1aov h ASP 565 N 0.00 0.00 -3.57 -1.12 5.19 -1.61 -3.45 116.42 111.85 1aov h ASP 565 Ca 0.00 0.00 -0.44 0.00 -0.62 0.00 0.00 57.03 55.97 1aov h ASP 565 Cb 0.15 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 39.33 1aov h ASP 565 CO 0.00 0.00 -0.79 -0.36 -3.12 0.00 0.00 179.24 174.97 1aov s PHE 566 N -3.50 1.01 0.33 4.55 0.08 -0.68 -3.64 117.98 116.12 1aov s PHE 566 Ca 0.03 -0.30 0.10 0.00 0.12 0.00 0.00 56.93 56.87 1aov s PHE 566 Cb 0.09 -0.78 -0.06 0.00 -0.57 0.00 0.00 43.02 41.71 1aov s PHE 566 CO 0.52 -0.18 -0.05 -1.21 -0.10 0.00 0.00 175.22 174.20 1aov s GLU 567 N 0.58 1.95 -0.12 0.44 2.02 -1.09 -3.50 118.70 118.98 1aov s GLU 567 Ca -0.10 -1.80 -0.07 0.00 0.02 0.00 0.00 54.97 53.03 1aov s GLU 567 Cb -0.13 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.22 1aov s GLU 567 CO 0.01 0.17 0.13 -0.51 0.02 0.00 0.00 175.26 175.09 1aov s LEU 568 N -3.65 4.32 -0.32 1.80 1.02 0.73 -2.24 118.68 120.34 1aov s LEU 568 Ca 0.33 0.44 -0.19 0.00 0.02 0.00 0.00 54.13 54.73 1aov s LEU 568 Cb -0.00 -2.05 -0.01 0.00 0.02 0.00 0.00 46.19 44.15 1aov s LEU 568 CO 0.18 0.40 0.57 -0.76 0.02 0.00 0.00 176.35 176.77 1aov s LEU 569 N -1.00 4.20 0.29 1.79 1.43 -0.59 -0.55 118.68 124.24 1aov s LEU 569 Ca 0.15 0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 53.35 1aov s LEU 569 Cb -0.12 -2.71 -0.09 0.00 0.03 0.00 0.00 46.19 43.30 1aov s LEU 569 CO 0.04 -0.46 0.74 0.00 0.23 0.00 0.00 176.35 176.90 1aov h THR 571 N 2.27 1.24 0.00 0.00 1.35 -1.83 -2.05 112.91 113.89 1aov h THR 571 Ca -0.48 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1aov h THR 571 Cb 1.18 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1aov h THR 571 CO 0.65 0.33 0.07 -0.46 -0.25 0.00 0.00 175.52 175.86 1aov n ASN 572 N -4.25 0.04 0.00 5.36 0.23 -1.26 -4.81 115.26 110.57 1aov n ASN 572 Ca 0.04 0.46 0.00 0.00 -0.53 0.00 0.00 54.58 54.55 1aov n ASN 572 Cb 0.24 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 1aov n ASN 572 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1aov n GLY 573 N -1.42 1.43 3.90 4.83 0.00 -0.77 -5.09 105.19 108.07 1aov n GLY 573 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1aov n GLY 573 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aov n LYS 574 N -0.08 -1.45 -4.38 1.61 5.02 -1.25 -4.48 118.16 113.15 1aov n LYS 574 Ca 0.00 -2.07 -0.19 0.00 -2.02 0.00 0.00 58.31 54.03 1aov n LYS 574 Cb 0.00 -1.41 -0.10 0.00 -0.02 0.00 0.00 35.03 33.50 1aov n LYS 574 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1aov s ARG 575 N -5.93 1.55 0.21 1.97 0.52 -1.26 -0.15 118.95 115.87 1aov s ARG 575 Ca 0.76 -1.86 -0.12 0.00 -0.52 0.00 0.00 55.73 53.99 1aov s ARG 575 Cb -0.02 -0.50 0.04 0.00 0.52 0.00 0.00 34.95 34.99 1aov s ARG 575 CO 0.54 -0.28 0.59 0.00 0.02 0.00 0.00 175.30 176.17 1aov n ALA 576 N -0.59 -1.43 -2.62 2.13 0.00 0.29 -4.87 120.51 113.42 1aov n ALA 576 Ca -0.01 -0.80 -0.42 0.00 0.00 0.00 0.00 53.44 52.21 1aov n ALA 576 Cb 0.66 0.57 -0.03 0.00 0.00 0.00 0.00 19.45 20.66 1aov n ALA 576 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1aov s LYS 577 N -2.05 4.49 0.30 0.00 2.47 -1.26 -0.19 119.74 123.49 1aov s LYS 577 Ca 0.12 1.51 0.02 0.00 -1.56 0.00 0.00 55.97 56.07 1aov s LYS 577 Cb -0.03 -3.46 0.74 0.00 -1.46 0.00 0.00 37.83 33.62 1aov s LYS 577 CO 0.06 -0.19 1.58 1.79 0.16 0.00 0.00 175.35 178.76 1aov h THR 578 N 4.82 0.05 0.00 3.43 1.35 -1.87 0.23 112.91 120.92 1aov h THR 578 Ca -0.38 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1aov h THR 578 Cb 1.20 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1aov h THR 578 CO 0.80 0.00 0.00 0.80 -0.25 0.00 0.00 175.52 176.87 1aov n MET 579 N -5.46 0.00 -3.72 4.72 0.00 -1.26 -4.10 117.12 107.30 1aov n MET 579 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.65 1aov n MET 579 Cb 0.75 -1.04 -0.11 0.00 0.00 0.00 0.00 33.22 32.81 1aov n MET 579 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1aov n ASP 580 N -0.51 1.97 -0.11 6.12 -0.08 0.80 -5.01 116.55 119.73 1aov n ASP 580 Ca 0.00 -2.97 -0.24 0.00 -1.51 0.00 0.00 54.79 50.08 1aov n ASP 580 Cb 0.00 -0.69 -0.11 0.00 2.34 0.00 0.00 41.12 42.65 1aov n ASP 580 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1aov n TYR 581 N 2.16 0.81 0.32 -0.67 4.01 -1.26 -3.32 117.16 119.21 1aov n TYR 581 Ca 0.23 0.34 0.19 0.00 -0.16 0.00 0.00 57.90 58.51 1aov n TYR 581 Cb 0.39 -1.08 1.07 0.00 -0.31 0.00 0.00 39.34 39.41 1aov n TYR 581 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1aov h LYS 582 N -0.94 0.00 0.07 -0.72 1.57 -1.97 -2.96 116.57 111.63 1aov h LYS 582 Ca -0.43 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.01 1aov h LYS 582 Cb 1.41 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.69 1aov h LYS 582 CO -0.24 0.01 -1.88 2.41 -0.57 0.00 0.00 179.45 179.17 1aov n THR 583 N -3.39 1.68 -3.87 -0.16 -1.04 -1.26 -4.80 114.28 101.43 1aov n THR 583 Ca -0.03 -0.46 -0.36 0.00 -2.04 0.00 0.00 64.05 61.16 1aov n THR 583 Cb 0.09 -1.80 -0.13 0.00 -1.82 0.00 0.00 70.33 66.67 1aov n THR 583 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aov s HIS 585 N 1.32 -0.46 0.08 0.00 -0.00 -1.26 -4.43 115.29 110.54 1aov s HIS 585 Ca -0.03 0.59 -0.14 0.00 -0.00 0.00 0.00 55.06 55.47 1aov s HIS 585 Cb -0.19 0.48 -0.21 0.00 -0.00 0.00 0.00 32.58 32.66 1aov s HIS 585 CO -0.01 -0.54 1.22 -0.07 -0.00 0.00 0.00 174.74 175.35 1aov h LEU 586 N 2.42 0.88 -6.60 5.38 3.38 -1.60 -3.42 115.31 115.76 1aov h LEU 586 Ca -0.24 -0.70 0.23 0.00 0.09 0.00 0.00 57.88 57.26 1aov h LEU 586 Cb 1.20 -0.27 -0.31 0.00 0.09 0.00 0.00 40.66 41.37 1aov h LEU 586 CO 0.34 1.46 0.67 0.00 0.09 0.00 0.00 178.44 181.00 1aov s ALA 587 N -3.46 -2.95 -0.66 1.53 0.00 -1.14 -4.92 121.76 110.15 1aov s ALA 587 Ca -0.10 1.89 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1aov s ALA 587 Cb 0.07 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1aov s ALA 587 CO 0.91 -0.59 0.00 1.63 0.00 0.00 0.00 175.76 177.70 1aov n LYS 588 N 3.68 -0.47 -2.73 0.00 5.02 0.81 -1.60 118.16 122.86 1aov n LYS 588 Ca -0.13 0.70 -0.43 0.00 -2.02 0.00 0.00 58.31 56.44 1aov n LYS 588 Cb 0.56 -4.46 -0.03 0.00 -0.02 0.00 0.00 35.03 31.08 1aov n LYS 588 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1aov s VAL 589 N -2.21 4.45 0.94 -0.18 0.11 -0.54 -4.83 120.40 118.13 1aov s VAL 589 Ca 0.00 1.19 -0.11 0.00 -2.93 0.00 0.00 61.98 60.13 1aov s VAL 589 Cb 0.00 -4.44 0.15 0.00 -1.53 0.00 0.00 36.38 30.56 1aov s VAL 589 CO 0.00 -0.72 1.10 -2.16 -3.33 0.00 0.00 175.10 169.99 1aov s PRO 590 N 3.83 0.90 0.00 1.54 0.04 -1.26 -2.67 135.00 137.38 1aov s PRO 590 Ca 0.42 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1aov s PRO 590 Cb -0.10 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1aov s PRO 590 CO 0.23 -2.57 0.00 0.25 0.04 0.00 0.00 177.00 174.95 1aov n THR 591 N -4.15 0.00 -2.74 1.26 -2.24 -1.26 -4.56 114.28 100.60 1aov n THR 591 Ca 0.08 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.55 1aov n THR 591 Cb 0.54 -0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 1aov n THR 591 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1aov s HIS 592 N -0.81 3.46 0.12 4.78 0.09 -1.26 -3.88 115.29 117.79 1aov s HIS 592 Ca 0.00 1.17 0.04 0.00 -0.00 0.00 0.00 55.06 56.27 1aov s HIS 592 Cb 0.00 -2.54 -0.04 0.00 -0.00 0.00 0.00 32.58 29.99 1aov s HIS 592 CO 0.00 -0.17 -0.09 0.00 -0.00 0.00 0.00 174.74 174.48 1aov s ALA 593 N -2.42 1.27 0.05 -1.40 0.00 0.04 -0.49 121.76 118.80 1aov s ALA 593 Ca 0.53 -1.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 1aov s ALA 593 Cb -0.10 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1aov s ALA 593 CO 0.31 -0.11 0.28 0.14 0.00 0.00 0.00 175.76 176.38 1aov s VAL 594 N -3.16 5.29 0.15 0.00 -7.23 1.00 0.71 120.40 117.16 1aov s VAL 594 Ca 0.13 -0.01 0.09 0.00 -1.81 0.00 0.00 61.98 60.38 1aov s VAL 594 Cb 0.02 -3.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 1aov s VAL 594 CO -0.01 0.23 -0.20 0.68 -0.31 0.00 0.00 175.10 175.49 1aov s VAL 595 N -1.44 1.85 0.13 1.32 -7.23 -0.35 -0.62 120.40 114.05 1aov s VAL 595 Ca 0.33 -1.81 -0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1aov s VAL 595 Cb -0.13 -1.79 0.01 0.00 0.56 0.00 0.00 36.38 35.03 1aov s VAL 595 CO 0.21 -0.21 0.19 0.00 -0.31 0.00 0.00 175.10 174.98 1aov n ALA 596 N 0.54 -0.22 -1.83 1.32 0.00 -0.85 -2.61 120.51 116.86 1aov n ALA 596 Ca -0.15 -0.55 -0.32 0.00 0.00 0.00 0.00 53.44 52.42 1aov n ALA 596 Cb 0.56 0.44 -0.02 0.00 0.00 0.00 0.00 19.45 20.43 1aov n ALA 596 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1aov s ARG 597 N -2.23 3.77 0.40 0.00 0.52 -1.26 -0.19 118.95 119.96 1aov s ARG 597 Ca 0.09 0.91 0.12 0.00 -0.52 0.00 0.00 55.73 56.33 1aov s ARG 597 Cb -0.01 -2.11 0.93 0.00 0.52 0.00 0.00 34.95 34.29 1aov s ARG 597 CO 0.07 -0.42 1.92 -1.00 0.02 0.00 0.00 175.30 175.89 1aov h PRO 598 N 0.47 0.53 -0.63 3.54 0.13 -1.92 -1.68 132.00 132.44 1aov h PRO 598 Ca -0.46 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 1aov h PRO 598 Cb 1.19 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1aov h PRO 598 CO 0.61 0.35 0.07 0.93 -0.23 0.00 0.00 178.00 179.73 1aov h GLU 599 N 0.55 1.08 0.00 0.86 3.07 -1.97 -1.78 114.58 116.39 1aov h GLU 599 Ca 0.36 -0.31 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 1aov h GLU 599 Cb 0.66 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1aov h GLU 599 CO -0.13 1.01 -0.12 0.87 -1.40 0.00 0.00 179.01 179.24 1aov h LYS 600 N 0.99 0.00 0.00 2.33 1.79 -1.69 -3.39 116.57 116.60 1aov h LYS 600 Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1aov h LYS 600 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1aov h LYS 600 CO 0.02 0.12 0.00 0.00 -1.08 0.00 0.00 179.45 178.51 1aov n ALA 601 N -2.14 0.00 0.47 3.86 0.00 -0.67 -1.89 120.51 120.14 1aov n ALA 601 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.54 1aov n ALA 601 Cb 0.48 0.33 0.33 0.00 0.00 0.00 0.00 19.45 20.60 1aov n ALA 601 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1aov n ASN 602 N -2.44 0.10 -0.04 0.00 4.13 -1.26 -2.03 115.26 113.72 1aov n ASN 602 Ca 0.00 0.53 -0.05 0.00 1.68 0.00 0.00 54.58 56.73 1aov n ASN 602 Cb 0.00 -0.55 -0.14 0.00 -1.54 0.00 0.00 39.78 37.55 1aov n ASN 602 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1aov n LYS 603 N -1.62 0.66 0.05 3.52 2.85 -0.79 -3.14 118.16 119.69 1aov n LYS 603 Ca 0.03 0.11 -0.11 0.00 -1.05 0.00 0.00 58.31 57.29 1aov n LYS 603 Cb 0.17 -1.66 -0.04 0.00 -0.65 0.00 0.00 35.03 32.85 1aov n LYS 603 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1aov h ILE 604 N 0.00 0.62 -0.79 0.58 2.04 -0.97 0.19 117.51 119.18 1aov h ILE 604 Ca -0.34 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.70 1aov h ILE 604 Cb 1.92 0.62 -0.14 0.00 -0.74 0.00 0.00 36.82 38.48 1aov h ILE 604 CO 0.04 0.00 -0.03 -0.09 0.00 0.00 0.00 178.15 178.07 1aov h ARG 605 N -0.25 0.07 -0.02 2.37 9.65 -1.50 -0.85 114.38 123.85 1aov h ARG 605 Ca 0.06 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1aov h ARG 605 Cb 0.32 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.89 1aov h ARG 605 CO -0.16 0.05 0.00 0.93 2.80 0.00 0.00 179.97 183.59 1aov h GLU 606 N 0.07 0.03 -0.75 0.20 5.08 -1.38 -2.73 114.58 115.10 1aov h GLU 606 Ca 0.43 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.89 1aov h GLU 606 Cb 0.75 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.87 1aov h GLU 606 CO -0.72 0.31 -0.42 1.25 -1.00 0.00 0.00 179.01 178.42 1aov h LEU 607 N -0.24 -1.50 -0.36 1.33 5.85 0.43 -0.99 115.31 119.82 1aov h LEU 607 Ca 0.01 0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 1aov h LEU 607 Cb 0.29 0.72 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1aov h LEU 607 CO 0.00 -0.30 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.58 1aov h LEU 608 N -0.12 0.75 -1.64 2.25 3.38 -1.45 0.16 115.31 118.64 1aov h LEU 608 Ca 0.23 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1aov h LEU 608 Cb 0.55 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1aov h LEU 608 CO -0.81 0.98 0.28 -0.08 0.09 0.00 0.00 178.44 178.90 1aov h GLU 609 N 0.53 0.47 0.15 1.13 4.81 -0.90 0.21 114.58 120.97 1aov h GLU 609 Ca 0.08 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1aov h GLU 609 Cb 0.68 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1aov h GLU 609 CO 0.05 0.31 -0.07 0.78 -0.73 0.00 0.00 179.01 179.34 1aov h GLY 610 N 0.48 -0.22 0.20 1.92 0.00 -0.72 -2.84 103.07 101.91 1aov h GLY 610 Ca 0.16 0.08 0.19 0.00 0.00 0.00 0.00 47.33 47.76 1aov h GLY 610 CO -0.04 -0.08 0.61 1.46 0.00 0.00 0.00 176.54 178.50 1aov h GLN 611 N -0.84 0.66 0.37 4.80 1.08 0.13 -0.58 115.11 120.73 1aov h GLN 611 Ca -0.02 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1aov h GLN 611 Cb 0.53 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1aov h GLN 611 CO 0.03 0.44 -0.18 0.93 -0.95 0.00 0.00 178.83 179.10 1aov h GLU 612 N 0.68 -0.48 -1.41 1.46 5.08 -0.68 0.31 114.58 119.55 1aov h GLU 612 Ca 0.54 0.03 0.42 0.00 -1.00 0.00 0.00 59.36 59.35 1aov h GLU 612 Cb 0.95 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.22 1aov h GLU 612 CO -0.31 -0.23 0.97 0.87 -1.00 0.00 0.00 179.01 179.31 1aov h LYS 613 N -0.65 0.08 0.07 2.33 1.57 -0.85 0.14 116.57 119.27 1aov h LYS 613 Ca -0.05 -0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.36 1aov h LYS 613 Cb 0.47 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 1aov h LYS 613 CO 0.08 0.05 -2.10 1.28 -0.57 0.00 0.00 179.45 178.20 1aov n LEU 614 N -4.35 2.36 0.00 2.94 4.32 -0.99 -0.43 117.00 120.84 1aov n LEU 614 Ca 0.34 0.14 0.00 0.00 -0.02 0.00 0.00 56.01 56.47 1aov n LEU 614 Cb 1.45 -0.82 0.00 0.00 -1.62 0.00 0.00 43.42 42.42 1aov n LEU 614 CO 0.33 0.80 0.22 0.49 -1.22 0.00 0.00 177.39 178.01 1aov n PHE 615 N -3.34 0.00 -0.96 -1.77 3.72 0.10 -0.47 117.46 114.76 1aov n PHE 615 Ca -0.33 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 1aov n PHE 615 Cb 1.04 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 1aov n PHE 615 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aov n GLY 616 N -0.09 -0.88 0.01 1.37 0.00 0.29 0.27 105.19 106.15 1aov n GLY 616 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1aov n GLY 616 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1aov n LEU 617 N 0.00 0.01 -2.70 0.99 7.94 -1.26 -0.88 117.00 121.11 1aov n LEU 617 Ca 0.00 0.24 -0.04 0.00 -1.11 0.00 0.00 56.01 55.10 1aov n LEU 617 Cb 0.00 -0.23 0.11 0.00 0.53 0.00 0.00 43.42 43.83 1aov n LEU 617 CO 0.00 -0.24 0.47 1.41 -1.11 0.00 0.00 177.39 177.92 1aov n HIS 618 N -1.26 -1.59 -2.37 1.96 8.25 -1.26 -5.14 115.22 113.81 1aov n HIS 618 Ca -0.00 -1.91 -0.35 0.00 -0.26 0.00 0.00 57.72 55.20 1aov n HIS 618 Cb 0.28 1.23 -0.01 0.00 1.12 0.00 0.00 29.99 32.61 1aov n HIS 618 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1aov s GLY 619 N -1.60 2.63 0.25 -1.41 0.00 -0.06 -4.96 107.32 102.16 1aov s GLY 619 Ca 0.16 0.77 -0.05 0.00 0.00 0.00 0.00 44.72 45.60 1aov s GLY 619 CO -0.09 1.13 1.88 -0.84 0.00 0.00 0.00 173.10 175.17 1aov h THR 620 N 1.48 1.12 -0.40 0.90 2.02 -0.01 -2.52 112.91 115.50 1aov h THR 620 Ca -0.50 -0.38 -0.25 0.00 0.77 0.00 0.00 66.41 66.05 1aov h THR 620 Cb 1.24 -0.10 -0.16 0.00 -1.74 0.00 0.00 68.15 67.40 1aov h THR 620 CO 0.58 0.20 -0.23 -0.62 0.37 0.00 0.00 175.52 175.83 1aov n GLU 621 N -4.53 2.15 0.00 6.66 -0.58 0.38 -4.88 120.64 119.85 1aov n GLU 621 Ca 0.12 -3.40 0.08 0.00 -0.42 0.00 0.00 57.16 53.54 1aov n GLU 621 Cb 0.12 -1.89 0.39 0.00 -0.57 0.00 0.00 31.44 29.49 1aov n GLU 621 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1aov n LYS 622 N -1.04 0.20 0.19 3.49 2.85 -0.95 -0.70 118.16 122.20 1aov n LYS 622 Ca 0.35 0.15 0.08 0.00 -1.05 0.00 0.00 58.31 57.83 1aov n LYS 622 Cb 0.94 -1.50 0.20 0.00 -0.65 0.00 0.00 35.03 34.02 1aov n LYS 622 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1aov h GLU 623 N 0.00 0.00 0.00 -1.58 9.09 -1.89 -3.23 114.58 116.97 1aov h GLU 623 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 1aov h GLU 623 Cb 0.16 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.25 1aov h GLU 623 CO 0.00 0.27 -0.57 0.00 0.05 0.00 0.00 179.01 178.76 1aov h ARG 624 N 0.00 0.00 -2.76 1.06 3.08 -1.32 -3.48 114.38 110.96 1aov h ARG 624 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1aov h ARG 624 Cb 1.08 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.84 1aov h ARG 624 CO 0.04 0.45 -0.42 0.12 -1.07 0.00 0.00 179.97 179.08 1aov s PHE 625 N -2.15 -0.54 -0.38 3.04 5.36 -1.16 -5.09 117.98 117.06 1aov s PHE 625 Ca -0.17 1.14 -0.11 0.00 -0.96 0.00 0.00 56.93 56.83 1aov s PHE 625 Cb 0.02 0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.88 1aov s PHE 625 CO 0.36 -0.35 0.21 1.41 -1.46 0.00 0.00 175.22 175.39 1aov s MET 626 N 1.92 2.79 0.53 10.12 -2.45 -1.22 -4.45 119.30 126.54 1aov s MET 626 Ca -0.05 -1.13 0.42 0.00 -1.25 0.00 0.00 55.69 53.68 1aov s MET 626 Cb -0.11 -3.74 1.61 0.00 1.25 0.00 0.00 34.83 33.84 1aov s MET 626 CO -0.11 -0.73 1.68 0.52 1.05 0.00 0.00 175.02 177.43 1aov h MET 627 N 8.44 0.02 -0.01 4.11 2.86 -0.52 -0.17 114.93 129.66 1aov h MET 627 Ca -0.25 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1aov h MET 627 Cb 1.10 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1aov h MET 627 CO 0.68 0.02 -0.29 1.19 1.06 0.00 0.00 176.91 179.56 1aov n PHE 628 N -4.14 0.00 -3.90 -0.22 3.72 -1.26 -4.69 117.46 106.96 1aov n PHE 628 Ca 0.36 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.39 1aov n PHE 628 Cb 1.61 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 40.09 1aov n PHE 628 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1aov s GLN 629 N -1.75 3.42 0.26 -1.08 0.74 -0.08 -4.37 119.66 116.79 1aov s GLN 629 Ca 0.12 -0.16 0.10 0.00 0.05 0.00 0.00 55.36 55.48 1aov s GLN 629 Cb 0.12 -3.17 -0.05 0.00 1.10 0.00 0.00 33.01 31.01 1aov s GLN 629 CO 0.36 0.77 -0.17 -1.12 -0.55 0.00 0.00 175.29 174.58 1aov s SER 630 N -1.11 3.22 0.29 6.67 0.01 -1.26 -4.79 113.70 116.72 1aov s SER 630 Ca 0.16 -1.05 0.14 0.00 1.31 0.00 0.00 55.95 56.52 1aov s SER 630 Cb -0.12 -0.24 0.30 0.00 0.21 0.00 0.00 66.02 66.17 1aov s SER 630 CO 0.05 -0.07 1.56 1.56 0.41 0.00 0.00 173.24 176.75 1aov h GLN 631 N 2.35 0.00 0.00 12.44 1.08 -1.97 -3.42 115.11 125.58 1aov h GLN 631 Ca -0.39 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1aov h GLN 631 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1aov h GLN 631 CO 0.62 0.55 0.00 0.25 -0.95 0.00 0.00 178.83 179.30 1aov n THR 632 N -3.45 0.00 0.00 -0.54 -2.24 -1.26 -5.15 114.28 101.64 1aov n THR 632 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1aov n THR 632 Cb 0.66 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1aov n THR 632 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1aov n LYS 633 N 0.00 0.00 -3.54 -0.78 4.76 -1.26 -4.92 118.16 112.41 1aov n LYS 633 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 1aov n LYS 633 Cb 0.00 -0.01 -0.09 0.00 -1.84 0.00 0.00 35.03 33.09 1aov n LYS 633 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1aov s ASP 634 N -0.21 5.77 -0.15 4.39 1.01 -1.26 -2.90 116.67 123.32 1aov s ASP 634 Ca 0.00 -1.53 -0.04 0.00 0.71 0.00 0.00 52.55 51.70 1aov s ASP 634 Cb 0.00 -2.04 0.05 0.00 1.01 0.00 0.00 42.92 41.94 1aov s ASP 634 CO 0.00 -0.59 0.06 -0.76 0.21 0.00 0.00 175.17 174.09 1aov s LEU 635 N 1.47 0.57 0.00 1.23 1.43 -1.26 -4.96 118.68 117.15 1aov s LEU 635 Ca 0.04 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1aov s LEU 635 Cb -0.24 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 45.63 1aov s LEU 635 CO 0.03 -0.31 0.00 0.18 0.23 0.00 0.00 176.35 176.48 1aov n LEU 636 N 5.20 0.00 -4.96 1.79 4.77 -1.26 -4.75 117.00 117.79 1aov n LEU 636 Ca -0.07 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.65 1aov n LEU 636 Cb 0.49 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.71 1aov n LEU 636 CO 0.10 0.00 0.67 -0.36 -1.33 0.00 0.00 177.39 176.47 1aov s PHE 637 N 0.00 1.77 -0.54 -1.77 0.08 -1.26 -4.88 117.98 111.38 1aov s PHE 637 Ca 0.00 0.02 -0.25 0.00 0.12 0.00 0.00 56.93 56.82 1aov s PHE 637 Cb 0.00 -3.41 0.04 0.00 -0.57 0.00 0.00 43.02 39.08 1aov s PHE 637 CO 0.00 -1.99 0.97 0.21 -0.10 0.00 0.00 175.22 174.31 1aov s LYS 638 N -5.41 3.39 0.03 0.44 2.47 -1.26 -4.46 119.74 114.94 1aov s LYS 638 Ca 0.68 -0.12 0.01 0.00 -1.56 0.00 0.00 55.97 54.97 1aov s LYS 638 Cb -0.05 -4.03 0.07 0.00 -1.46 0.00 0.00 37.83 32.36 1aov s LYS 638 CO 0.47 -1.47 0.13 0.00 0.16 0.00 0.00 175.35 174.64 1aov n ALA 639 N 7.54 0.05 -1.85 3.13 0.00 -1.14 -0.54 120.51 127.71 1aov n ALA 639 Ca 0.03 0.08 -0.38 0.00 0.00 0.00 0.00 53.44 53.17 1aov n ALA 639 Cb 0.48 -0.07 0.03 0.00 0.00 0.00 0.00 19.45 19.89 1aov n ALA 639 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1aov n LEU 640 N -3.66 7.45 -4.82 0.00 4.77 -1.26 -4.74 117.00 114.74 1aov n LEU 640 Ca 0.02 -4.73 -0.38 0.00 -0.03 0.00 0.00 56.01 50.88 1aov n LEU 640 Cb 0.07 -1.08 -0.06 0.00 -2.33 0.00 0.00 43.42 40.02 1aov n LEU 640 CO -0.00 1.74 0.17 -0.89 -1.33 0.00 0.00 177.39 177.08 1aov s THR 641 N -4.80 4.91 -0.20 -5.08 2.01 0.30 -4.58 115.64 108.20 1aov s THR 641 Ca 0.53 1.00 -0.09 0.00 0.31 0.00 0.00 61.69 63.44 1aov s THR 641 Cb 0.44 -3.79 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 1aov s THR 641 CO -0.38 0.57 -0.25 0.29 -0.69 0.00 0.00 174.62 174.15 1aov n LYS 642 N 1.81 0.44 -3.97 4.92 4.76 0.27 -4.92 118.16 121.46 1aov n LYS 642 Ca -0.12 0.18 -0.10 0.00 -2.87 0.00 0.00 58.31 55.40 1aov n LYS 642 Cb 0.52 -1.25 -0.06 0.00 -1.84 0.00 0.00 35.03 32.40 1aov n LYS 642 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aov s LEU 644 N -2.99 5.24 0.03 0.00 1.43 -1.26 -2.21 118.68 118.91 1aov s LEU 644 Ca 0.20 -2.65 -0.30 0.00 -1.03 0.00 0.00 54.13 50.35 1aov s LEU 644 Cb 0.02 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.33 1aov s LEU 644 CO 0.04 -0.41 1.33 -0.69 0.23 0.00 0.00 176.35 176.85 1aov s VAL 645 N 0.24 3.78 -0.17 -1.59 1.01 0.52 -4.75 120.40 119.44 1aov s VAL 645 Ca 0.15 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 63.04 1aov s VAL 645 Cb -0.21 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1aov s VAL 645 CO -0.04 0.04 1.35 -0.54 0.00 0.00 0.00 175.10 175.91 1aov s LYS 646 N 1.83 4.16 0.10 2.72 1.02 -1.26 -0.98 119.74 127.33 1aov s LYS 646 Ca 0.62 1.69 -0.12 0.00 0.02 0.00 0.00 55.97 58.18 1aov s LYS 646 Cb -0.31 -3.83 -0.06 0.00 -0.52 0.00 0.00 37.83 33.11 1aov s LYS 646 CO 0.27 -0.81 0.46 -0.51 -0.92 0.00 0.00 175.35 173.84 1aov s LEU 647 N 3.79 4.36 0.64 3.17 1.43 -0.98 -4.97 118.68 126.11 1aov s LEU 647 Ca 0.59 0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 54.47 1aov s LEU 647 Cb -0.23 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 42.93 1aov s LEU 647 CO 0.19 0.16 1.07 -0.13 0.23 0.00 0.00 176.35 177.87 1aov s ARG 648 N -1.82 3.07 -0.03 1.70 0.52 -1.26 -4.90 118.95 116.23 1aov s ARG 648 Ca 0.34 1.20 -0.38 0.00 -0.52 0.00 0.00 55.73 56.37 1aov s ARG 648 Cb -0.15 -2.00 -0.17 0.00 0.52 0.00 0.00 34.95 33.16 1aov s ARG 648 CO 0.18 -1.01 1.44 1.04 0.02 0.00 0.00 175.30 176.97 1aov n GLN 649 N -2.39 1.08 -3.32 3.54 6.02 -1.26 -3.04 117.38 118.01 1aov n GLN 649 Ca 0.09 0.39 -0.16 0.00 -0.01 0.00 0.00 57.00 57.31 1aov n GLN 649 Cb 0.53 -2.04 0.08 0.00 1.02 0.00 0.00 30.24 29.83 1aov n GLN 649 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aov n GLY 650 N 2.95 -0.30 3.74 1.08 0.00 -1.26 -5.00 105.19 106.41 1aov n GLY 650 Ca 0.21 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1aov n GLY 650 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1aov s ILE 651 N -3.32 3.31 0.28 -0.61 1.10 -1.17 -5.01 121.20 115.78 1aov s ILE 651 Ca 0.05 1.11 -0.27 0.00 -0.51 0.00 0.00 60.65 61.03 1aov s ILE 651 Cb -0.02 -3.71 -0.09 0.00 0.15 0.00 0.00 42.46 38.78 1aov s ILE 651 CO 0.66 0.18 0.92 0.42 -2.11 0.00 0.00 174.94 175.02 1aov s THR 652 N -0.10 4.18 0.28 4.00 -4.23 -1.26 -4.58 115.64 113.92 1aov s THR 652 Ca 0.54 1.91 0.01 0.00 -1.18 0.00 0.00 61.69 62.97 1aov s THR 652 Cb -0.35 -4.14 0.28 0.00 1.34 0.00 0.00 72.50 69.63 1aov s THR 652 CO 0.39 0.31 1.68 0.10 -0.54 0.00 0.00 174.62 176.56 1aov h TYR 653 N 3.64 0.50 -1.00 3.99 -0.00 -1.92 0.42 116.97 122.60 1aov h TYR 653 Ca -0.46 0.04 0.16 0.00 -0.00 0.00 0.00 58.73 58.47 1aov h TYR 653 Cb 1.20 -0.08 -0.10 0.00 -0.00 0.00 0.00 36.73 37.74 1aov h TYR 653 CO 0.61 -0.09 0.62 0.87 -0.00 0.00 0.00 178.16 180.18 1aov h LYS 654 N 0.33 0.84 0.06 0.10 1.57 -1.96 0.25 116.57 117.76 1aov h LYS 654 Ca 0.52 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1aov h LYS 654 Cb 0.98 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1aov h LYS 654 CO -0.55 0.56 -0.03 0.93 -0.57 0.00 0.00 179.45 179.79 1aov h GLU 655 N 0.87 -0.07 -0.83 3.15 5.08 -0.57 -0.22 114.58 121.99 1aov h GLU 655 Ca 0.54 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 59.03 1aov h GLU 655 Cb 0.72 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.90 1aov h GLU 655 CO -0.33 0.33 0.44 0.35 -1.00 0.00 0.00 179.01 178.81 1aov h PHE 656 N -0.49 0.79 0.00 4.33 3.57 0.10 -0.46 116.94 124.78 1aov h PHE 656 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1aov h PHE 656 Cb 0.44 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1aov h PHE 656 CO 0.06 0.24 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.05 1aov h LEU 657 N 0.68 0.00 -0.64 0.59 3.38 -0.58 -3.45 115.31 115.28 1aov h LEU 657 Ca 0.43 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1aov h LEU 657 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1aov h LEU 657 CO -0.31 0.00 -0.74 0.61 0.09 0.00 0.00 178.44 178.09 1aov n GLY 658 N 1.15 -3.82 0.35 0.83 0.00 -0.10 -3.96 105.19 99.65 1aov n GLY 658 Ca 0.03 -0.95 0.20 0.00 0.00 0.00 0.00 46.02 45.30 1aov n GLY 658 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1aov h ASP 659 N 0.21 0.62 0.52 1.61 3.32 -1.88 0.14 116.42 120.95 1aov h ASP 659 Ca 0.00 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1aov h ASP 659 Cb 0.70 0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.30 1aov h ASP 659 CO 0.00 0.06 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.00 1aov h GLU 660 N 0.51 -0.68 -0.29 3.56 3.07 -1.94 -0.57 114.58 118.24 1aov h GLU 660 Ca 0.66 0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.51 1aov h GLU 660 Cb 1.36 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 29.41 1aov h GLU 660 CO -0.48 -0.37 -0.02 -0.92 -1.40 0.00 0.00 179.01 175.82 1aov h TYR 661 N -0.95 0.59 -0.79 4.33 3.20 -1.53 -0.58 116.97 121.24 1aov h TYR 661 Ca -0.07 -0.11 0.16 0.00 3.14 0.00 0.00 58.73 61.85 1aov h TYR 661 Cb 0.62 -0.15 -0.10 0.00 1.54 0.00 0.00 36.73 38.63 1aov h TYR 661 CO 0.00 0.69 0.31 -0.92 -1.64 0.00 0.00 178.16 176.60 1aov h TYR 662 N 0.32 0.52 -0.41 -3.82 3.20 -0.80 -0.51 116.97 115.45 1aov h TYR 662 Ca 0.08 0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 1aov h TYR 662 Cb 0.47 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1aov h TYR 662 CO 0.04 0.03 -0.28 0.00 -1.64 0.00 0.00 178.16 176.31 1aov h ALA 663 N 1.59 0.59 0.12 1.82 0.00 0.06 -2.37 119.26 121.07 1aov h ALA 663 Ca 0.44 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1aov h ALA 663 Cb 0.72 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1aov h ALA 663 CO -0.44 0.62 -0.37 0.77 0.00 0.00 0.00 179.25 179.83 1aov h SER 664 N 0.75 -1.07 0.36 0.00 0.02 0.37 -2.30 113.55 111.68 1aov h SER 664 Ca 0.08 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1aov h SER 664 Cb 0.86 0.40 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1aov h SER 664 CO 0.08 -0.45 -0.17 1.62 -1.14 0.00 0.00 176.83 176.77 1aov h VAL 665 N -0.59 0.66 -0.99 2.27 3.04 -1.39 -0.60 116.25 118.66 1aov h VAL 665 Ca 0.03 -0.19 0.18 0.00 -1.01 0.00 0.00 66.70 65.71 1aov h VAL 665 Cb 0.63 0.76 -0.10 0.00 -2.01 0.00 0.00 31.29 30.57 1aov h VAL 665 CO -0.22 0.04 0.59 0.00 -1.01 0.00 0.00 177.57 176.97 1aov h ALA 666 N 0.03 1.61 -0.03 3.17 0.00 -1.24 0.18 119.26 122.98 1aov h ALA 666 Ca -0.05 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1aov h ALA 666 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1aov h ALA 666 CO 0.08 -0.04 -0.16 1.03 0.00 0.00 0.00 179.25 180.17 1aov h SER 667 N 0.76 0.19 -0.97 0.00 0.87 -1.23 -2.58 113.55 110.59 1aov h SER 667 Ca 0.56 -0.66 0.16 0.00 -1.23 0.00 0.00 61.79 60.62 1aov h SER 667 Cb 0.85 -0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 62.66 1aov h SER 667 CO -0.38 0.82 0.61 0.25 -0.53 0.00 0.00 176.83 177.61 1aov h LEU 668 N -0.42 0.78 -0.07 2.23 7.12 0.58 0.24 115.31 125.76 1aov h LEU 668 Ca -0.01 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1aov h LEU 668 Cb 0.82 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.86 1aov h LEU 668 CO 0.03 0.35 0.00 0.59 -0.13 0.00 0.00 178.44 179.29 1aov n ASN 669 N -4.65 0.49 0.06 1.25 4.13 0.44 -2.35 115.26 114.64 1aov n ASN 669 Ca 0.20 0.56 0.09 0.00 1.68 0.00 0.00 54.58 57.11 1aov n ASN 669 Cb 0.49 -0.69 0.38 0.00 -1.54 0.00 0.00 39.78 38.42 1aov n ASN 669 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1aov n THR 670 N -1.97 0.97 0.02 3.41 -2.24 0.83 -3.73 114.28 111.57 1aov n THR 670 Ca 0.06 0.27 -0.01 0.00 -2.27 0.00 0.00 64.05 62.09 1aov n THR 670 Cb 0.37 -1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1aov n THR 670 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aov s ASN 672 N -2.83 2.22 0.63 0.00 2.47 -1.24 -5.05 114.94 111.15 1aov s ASN 672 Ca -0.01 -2.61 -0.14 0.00 0.42 0.00 0.00 52.86 50.52 1aov s ASN 672 Cb 0.00 -0.42 -0.02 0.00 -1.45 0.00 0.00 41.25 39.37 1aov s ASN 672 CO 0.02 -0.24 1.06 -2.84 -3.72 0.00 0.00 177.10 171.38 1aov s PRO 673 N 0.58 3.13 0.51 0.43 0.02 -1.25 -4.97 135.00 133.45 1aov s PRO 673 Ca 0.25 1.14 0.01 0.00 0.02 0.00 0.00 61.00 62.42 1aov s PRO 673 Cb -0.10 -2.01 0.02 0.00 0.02 0.00 0.00 34.50 32.43 1aov s PRO 673 CO -0.09 -0.96 0.74 -1.54 -0.33 0.00 0.00 177.00 174.82 1aov s SER 674 N -3.10 5.47 0.25 2.53 1.04 -1.26 -4.93 113.70 113.71 1aov s SER 674 Ca 0.62 0.09 -0.08 0.00 0.48 0.00 0.00 55.95 57.06 1aov s SER 674 Cb -0.16 -1.10 0.42 0.00 0.10 0.00 0.00 66.02 65.28 1aov s SER 674 CO 0.43 -0.98 1.62 -2.24 0.98 0.00 0.00 173.24 173.04 1aov h ASP 675 N 0.19 -0.51 -0.11 7.02 3.04 -2.00 -0.73 116.42 123.33 1aov h ASP 675 Ca -0.43 0.22 -0.16 0.00 -3.24 0.00 0.00 57.03 53.42 1aov h ASP 675 Cb 1.28 0.41 -0.01 0.00 -1.04 0.00 0.00 39.33 39.98 1aov h ASP 675 CO 0.54 -0.23 -0.48 0.25 -2.04 0.00 0.00 179.24 177.28 1aov h LEU 676 N 0.05 0.74 -1.02 0.15 5.85 -1.96 -2.62 115.31 116.50 1aov h LEU 676 Ca 0.42 -0.37 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 1aov h LEU 676 Cb 0.71 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1aov h LEU 676 CO -0.74 1.10 -0.49 0.25 -0.34 0.00 0.00 178.44 178.22 1aov h LEU 677 N 0.53 0.00 0.08 2.25 5.85 -1.60 -1.71 115.31 120.71 1aov h LEU 677 Ca 0.03 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1aov h LEU 677 Cb 1.03 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1aov h LEU 677 CO 0.10 0.49 -0.15 1.56 -0.34 0.00 0.00 178.44 180.10 1aov h GLN 678 N 0.00 -0.27 -0.60 1.25 4.20 -0.87 0.22 115.11 119.04 1aov h GLN 678 Ca -0.00 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 1aov h GLN 678 Cb 0.87 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 1aov h GLN 678 CO 0.06 -0.18 -0.01 -0.39 -0.67 0.00 0.00 178.83 177.64 1aov h VAL 679 N -0.28 1.27 0.00 -0.54 -1.51 -1.10 -0.08 116.25 114.00 1aov h VAL 679 Ca 0.03 -1.17 -0.04 0.00 -1.23 0.00 0.00 66.70 64.29 1aov h VAL 679 Cb 0.31 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 1aov h VAL 679 CO -0.09 0.42 -0.18 0.00 -1.23 0.00 0.00 177.57 176.49 1aov h THR 681 N 0.00 1.29 -0.45 0.00 2.02 0.61 -2.08 112.91 114.31 1aov h THR 681 Ca -0.00 -1.76 -0.08 0.00 0.77 0.00 0.00 66.41 65.34 1aov h THR 681 Cb 0.36 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1aov h THR 681 CO 0.02 0.56 -0.06 0.15 0.37 0.00 0.00 175.52 176.57 1aov h PHE 682 N 0.55 0.83 -0.02 3.16 3.57 0.74 -1.59 116.94 124.18 1aov h PHE 682 Ca -0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1aov h PHE 682 Cb 1.17 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1aov h PHE 682 CO 0.08 0.80 0.00 1.28 -2.23 0.00 0.00 178.31 178.25 1aov n LEU 683 N -4.19 0.59 -4.52 0.59 4.77 -0.26 -3.90 117.00 110.08 1aov n LEU 683 Ca 0.02 -0.21 -0.43 0.00 -0.03 0.00 0.00 56.01 55.35 1aov n LEU 683 Cb 0.33 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1aov n LEU 683 CO 0.42 0.11 1.54 -1.61 -1.33 0.00 0.00 177.39 176.52 1aov s GLU 684 N -1.97 3.86 0.00 3.23 2.02 -0.60 -0.87 118.70 124.37 1aov s GLU 684 Ca 0.39 -1.92 0.00 0.00 0.02 0.00 0.00 54.97 53.46 1aov s GLU 684 Cb 0.19 -5.26 0.00 0.00 0.10 0.00 0.00 34.13 29.16 1aov s GLU 684 CO 0.32 -2.03 0.00 -3.47 0.02 0.00 0.00 175.26 170.09 1aov n ASP 685 N 7.44 0.00 0.00 -0.19 -0.08 -1.25 -5.01 116.55 117.46 1aov n ASP 685 Ca 0.38 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 1aov n ASP 685 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 1aov n ASP 685 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61