#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvn n LEU 5 N 0.00 3.80 -3.81 2.46 4.32 -1.26 -5.01 117.00 117.50 2vvn n LEU 5 Ca 0.00 1.03 -0.23 0.00 -0.02 0.00 0.00 56.01 56.79 2vvn n LEU 5 Cb 0.00 -1.52 -0.17 0.00 -1.62 0.00 0.00 43.42 40.11 2vvn n LEU 5 CO 0.00 0.07 -0.40 -1.10 -1.22 0.00 0.00 177.39 174.75 2vvn s GLN 6 N 1.87 0.80 0.65 3.23 -1.52 -1.26 -2.45 119.66 120.98 2vvn s GLN 6 Ca 0.79 0.01 -0.17 0.00 -1.95 0.00 0.00 55.36 54.04 2vvn s GLN 6 Cb -0.54 -1.06 -0.01 0.00 -0.22 0.00 0.00 33.01 31.18 2vvn s GLN 6 CO 0.36 -0.26 1.23 -2.14 -0.25 0.00 0.00 175.29 174.23 2vvn s PRO 7 N 1.77 2.62 0.24 2.91 0.02 -1.26 -4.84 135.00 136.45 2vvn s PRO 7 Ca 0.03 1.87 -0.30 0.00 0.02 0.00 0.00 61.00 62.61 2vvn s PRO 7 Cb -0.13 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 2vvn s PRO 7 CO -0.05 -1.50 1.40 -1.25 -0.33 0.00 0.00 177.00 175.27 2vvn s PRO 8 N -3.52 4.30 0.73 5.54 0.04 -1.03 -4.99 135.00 136.07 2vvn s PRO 8 Ca 0.78 2.23 -0.11 0.00 0.04 0.00 0.00 61.00 63.94 2vvn s PRO 8 Cb -0.32 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.12 2vvn s PRO 8 CO 0.39 -0.36 1.08 -1.25 0.04 0.00 0.00 177.00 176.90 2vvn s PRO 9 N -0.41 2.57 0.24 0.56 0.04 -1.26 -4.67 135.00 132.07 2vvn s PRO 9 Ca 0.58 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.68 2vvn s PRO 9 Cb -0.40 -1.94 0.24 0.00 0.04 0.00 0.00 34.50 32.44 2vvn s PRO 9 CO 0.43 -1.40 1.92 1.96 0.04 0.00 0.00 177.00 179.95 2vvn h GLN 10 N -0.79 1.26 -3.42 4.56 1.08 -1.85 -3.42 115.11 112.53 2vvn h GLN 10 Ca -0.44 -0.08 -0.25 0.00 -1.45 0.00 0.00 58.65 56.43 2vvn h GLN 10 Cb 1.23 -0.28 -0.31 0.00 -0.05 0.00 0.00 27.48 28.06 2vvn h GLN 10 CO 0.54 0.84 -0.65 -1.14 -0.95 0.00 0.00 178.83 177.46 2vvn s GLN 11 N -6.10 0.05 -0.05 1.46 0.74 -0.60 -5.04 119.66 110.12 2vvn s GLN 11 Ca -0.13 0.24 -0.02 0.00 0.05 0.00 0.00 55.36 55.50 2vvn s GLN 11 Cb 0.17 -0.14 0.04 0.00 1.10 0.00 0.00 33.01 34.18 2vvn s GLN 11 CO 0.81 -0.13 0.11 -1.17 -0.55 0.00 0.00 175.29 174.36 2vvn s LEU 12 N 0.84 0.63 -0.19 3.68 2.96 -1.26 -2.25 118.68 123.09 2vvn s LEU 12 Ca -0.07 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 2vvn s LEU 12 Cb -0.09 0.18 0.03 0.00 0.50 0.00 0.00 46.19 46.81 2vvn s LEU 12 CO -0.03 -0.17 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.04 2vvn s ILE 13 N 1.43 1.87 -0.15 6.68 1.01 0.11 -5.00 121.20 127.16 2vvn s ILE 13 Ca -0.06 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.58 2vvn s ILE 13 Cb -0.12 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 2vvn s ILE 13 CO -0.05 0.37 -0.02 -0.69 0.00 0.00 0.00 174.94 174.55 2vvn s VAL 14 N 1.33 4.05 -0.06 2.92 1.01 -1.26 -0.81 120.40 127.58 2vvn s VAL 14 Ca 0.02 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 2vvn s VAL 14 Cb -0.15 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 2vvn s VAL 14 CO -0.10 0.51 0.33 -1.10 0.00 0.00 0.00 175.10 174.73 2vvn s GLN 15 N 0.15 3.89 -0.99 2.72 -1.52 0.23 -4.98 119.66 119.15 2vvn s GLN 15 Ca -0.00 0.23 -0.07 0.00 -1.95 0.00 0.00 55.36 53.57 2vvn s GLN 15 Cb -0.13 -3.26 -0.09 0.00 -0.22 0.00 0.00 33.01 29.31 2vvn s GLN 15 CO 0.02 0.60 2.49 0.09 -0.25 0.00 0.00 175.29 178.25 2vvn n ASN 16 N 2.26 5.99 -3.84 5.90 4.13 -1.26 -4.17 115.26 124.27 2vvn n ASN 16 Ca -0.15 -2.38 -0.12 0.00 1.68 0.00 0.00 54.58 53.61 2vvn n ASN 16 Cb 0.53 -1.23 -0.14 0.00 -1.54 0.00 0.00 39.78 37.40 2vvn n ASN 16 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2vvn s LYS 17 N 2.71 0.06 0.14 3.52 1.02 -1.26 -5.08 119.74 120.84 2vvn s LYS 17 Ca 0.51 0.10 0.10 0.00 0.02 0.00 0.00 55.97 56.69 2vvn s LYS 17 Cb 0.15 -0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.42 2vvn s LYS 17 CO -0.04 -0.03 -0.18 0.95 -0.92 0.00 0.00 175.35 175.14 2vvn s THR 18 N 0.16 2.78 0.29 2.17 -4.23 -1.26 -0.50 115.64 115.05 2vvn s THR 18 Ca -0.01 -1.65 0.11 0.00 -1.18 0.00 0.00 61.69 58.97 2vvn s THR 18 Cb -0.02 -2.30 -0.05 0.00 1.34 0.00 0.00 72.50 71.47 2vvn s THR 18 CO -0.00 0.02 -0.16 0.27 -0.54 0.00 0.00 174.62 174.20 2vvn s ILE 19 N -1.34 2.51 0.35 2.99 -4.36 0.68 -4.91 121.20 117.12 2vvn s ILE 19 Ca 0.19 -2.33 -0.22 0.00 -0.26 0.00 0.00 60.65 58.04 2vvn s ILE 19 Cb -0.10 -2.41 -0.10 0.00 1.25 0.00 0.00 42.46 41.11 2vvn s ILE 19 CO 0.11 -0.36 0.88 -1.81 0.24 0.00 0.00 174.94 174.00 2vvn s ASP 20 N -3.54 7.06 -0.19 4.36 1.01 -1.26 -0.57 116.67 123.54 2vvn s ASP 20 Ca 0.31 1.63 -0.29 0.00 0.71 0.00 0.00 52.55 54.91 2vvn s ASP 20 Cb -0.04 -2.51 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 2vvn s ASP 20 CO 0.16 -0.18 1.94 -0.22 0.21 0.00 0.00 175.17 177.08 2vvn s LEU 21 N -2.60 3.75 -0.60 1.23 2.96 -0.38 -4.84 118.68 118.21 2vvn s LEU 21 Ca 0.54 1.86 -0.35 0.00 -0.22 0.00 0.00 54.13 55.96 2vvn s LEU 21 Cb -0.13 -3.52 -0.16 0.00 0.50 0.00 0.00 46.19 42.87 2vvn s LEU 21 CO 0.18 -1.57 2.36 -0.81 -1.32 0.00 0.00 176.35 175.20 2vvn n PRO 22 N 8.19 0.46 -0.30 0.98 -0.04 -1.26 -4.81 135.00 138.22 2vvn n PRO 22 Ca 0.24 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 2vvn n PRO 22 Cb 0.45 -2.03 0.36 0.00 -0.04 0.00 0.00 33.50 32.23 2vvn n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2vvn h ALA 23 N 12.26 1.79 -3.59 0.55 0.00 -1.96 -3.39 119.26 124.92 2vvn h ALA 23 Ca -0.15 0.03 -0.51 0.00 0.00 0.00 0.00 54.91 54.28 2vvn h ALA 23 Cb 1.34 -0.12 -0.32 0.00 0.00 0.00 0.00 17.79 18.69 2vvn h ALA 23 CO 1.17 -0.07 -0.82 0.54 0.00 0.00 0.00 179.25 180.07 2vvn s VAL 24 N -5.74 1.15 -0.02 0.00 0.11 -1.26 -3.41 120.40 111.24 2vvn s VAL 24 Ca -0.10 -0.52 -0.10 0.00 -2.93 0.00 0.00 61.98 58.33 2vvn s VAL 24 Cb 0.23 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 34.06 2vvn s VAL 24 CO 0.80 0.35 0.22 -0.72 -3.33 0.00 0.00 175.10 172.41 2vvn s TYR 25 N 0.44 -0.08 -0.31 1.54 1.13 -1.21 -2.70 117.35 116.16 2vvn s TYR 25 Ca -0.10 0.11 -0.09 0.00 -1.41 0.00 0.00 57.07 55.58 2vvn s TYR 25 Cb -0.14 0.02 -0.00 0.00 -1.10 0.00 0.00 41.96 40.75 2vvn s TYR 25 CO 0.03 -0.31 0.14 -1.14 -2.51 0.00 0.00 175.55 171.77 2vvn s GLN 26 N -1.18 3.26 -0.06 -3.49 0.74 0.18 -2.11 119.66 117.01 2vvn s GLN 26 Ca -0.12 -0.77 -0.24 0.00 0.05 0.00 0.00 55.36 54.28 2vvn s GLN 26 Cb -0.06 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 2vvn s GLN 26 CO 0.02 -0.44 0.71 -1.17 -0.55 0.00 0.00 175.29 173.86 2vvn s LEU 27 N 1.59 4.33 -0.16 3.68 0.20 -1.26 -0.21 118.68 126.85 2vvn s LEU 27 Ca 0.04 1.22 0.01 0.00 0.69 0.00 0.00 54.13 56.09 2vvn s LEU 27 Cb -0.17 -3.10 0.02 0.00 -0.43 0.00 0.00 46.19 42.51 2vvn s LEU 27 CO 0.06 -0.10 -0.17 0.21 -0.29 0.00 0.00 176.35 176.05 2vvn s ASN 28 N 0.72 2.89 0.00 3.68 2.47 0.12 -4.72 114.94 120.10 2vvn s ASN 28 Ca 0.38 -0.56 0.00 0.00 0.42 0.00 0.00 52.86 53.10 2vvn s ASN 28 Cb -0.18 -1.32 0.00 0.00 -1.45 0.00 0.00 41.25 38.30 2vvn s ASN 28 CO 0.19 -0.02 0.00 0.61 -3.72 0.00 0.00 177.10 174.16 2vvn n GLY 29 N 4.63 0.94 0.36 1.21 0.00 -1.26 -1.44 105.19 109.62 2vvn n GLY 29 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.95 2vvn n GLY 29 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2vvn h GLY 30 N 0.00 0.63 1.77 -0.02 0.00 -1.84 -1.36 103.07 102.25 2vvn h GLY 30 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2vvn h GLY 30 CO 0.00 0.10 -0.21 0.83 0.00 0.00 0.00 176.54 177.26 2vvn h GLU 31 N 0.43 0.00 0.00 4.80 4.39 -1.94 -3.37 114.58 118.89 2vvn h GLU 31 Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.00 2vvn h GLU 31 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2vvn h GLU 31 CO -0.09 0.00 -0.29 -0.85 -1.16 0.00 0.00 179.01 176.63 2vvn n GLU 32 N -2.72 5.10 -2.26 2.33 0.28 -0.86 -5.03 120.64 117.49 2vvn n GLU 32 Ca 0.04 -0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.75 2vvn n GLU 32 Cb 0.50 -0.75 0.02 0.00 1.43 0.00 0.00 31.44 32.64 2vvn n GLU 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2vvn s ALA 33 N -1.51 3.22 -0.45 -1.84 0.00 -0.57 -4.77 121.76 115.84 2vvn s ALA 33 Ca 0.02 -0.44 -0.43 0.00 0.00 0.00 0.00 51.96 51.10 2vvn s ALA 33 Cb 0.04 -2.78 -0.18 0.00 0.00 0.00 0.00 23.12 20.20 2vvn s ALA 33 CO 0.20 -0.70 1.97 -1.71 0.00 0.00 0.00 175.76 175.52 2vvn n ASN 34 N -2.60 1.26 0.01 0.00 2.85 -1.26 -4.83 115.26 110.69 2vvn n ASN 34 Ca 0.04 0.81 0.17 0.00 -0.11 0.00 0.00 54.58 55.49 2vvn n ASN 34 Cb 0.56 -0.98 0.63 0.00 1.24 0.00 0.00 39.78 41.24 2vvn n ASN 34 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2vvn h PRO 35 N 8.31 0.10 -0.58 1.20 0.11 -1.93 -0.84 132.00 138.38 2vvn h PRO 35 Ca -0.25 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.76 2vvn h PRO 35 Cb 1.38 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 2vvn h PRO 35 CO 1.04 0.07 -0.02 0.45 -0.21 0.00 0.00 178.00 179.32 2vvn h HIS 36 N 0.11 1.12 -0.42 0.65 3.86 -1.90 -0.80 115.15 117.77 2vvn h HIS 36 Ca 0.23 -0.19 -0.13 0.00 -1.16 0.00 0.00 60.37 59.11 2vvn h HIS 36 Cb 0.77 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2vvn h HIS 36 CO -0.00 1.00 -0.26 0.00 0.86 0.00 0.00 177.93 179.52 2vvn h ALA 37 N 1.03 0.74 -0.30 2.45 0.00 -1.55 -3.11 119.26 118.52 2vvn h ALA 37 Ca 0.16 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2vvn h ALA 37 Cb 0.57 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2vvn h ALA 37 CO 0.03 0.66 -0.35 0.28 0.00 0.00 0.00 179.25 179.87 2vvn h VAL 38 N 0.76 1.29 -0.35 0.00 2.07 -1.06 -1.98 116.25 116.98 2vvn h VAL 38 Ca 0.09 -1.50 0.04 0.00 0.82 0.00 0.00 66.70 66.15 2vvn h VAL 38 Cb 0.82 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 2vvn h VAL 38 CO 0.07 0.49 0.12 0.50 0.02 0.00 0.00 177.57 178.77 2vvn h LYS 39 N 0.57 0.26 -0.12 1.57 3.64 -1.18 -0.49 116.57 120.82 2vvn h LYS 39 Ca 0.06 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2vvn h LYS 39 Cb 0.87 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2vvn h LYS 39 CO 0.08 0.17 0.05 0.28 -2.27 0.00 0.00 179.45 177.76 2vvn h VAL 40 N 0.27 0.99 -0.47 2.00 2.07 -1.41 -2.05 116.25 117.64 2vvn h VAL 40 Ca 0.16 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 2vvn h VAL 40 Cb 0.14 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2vvn h VAL 40 CO -0.17 0.02 0.29 0.25 0.02 0.00 0.00 177.57 177.99 2vvn h LEU 41 N 0.12 0.56 -1.54 2.57 5.85 -1.17 -1.50 115.31 120.20 2vvn h LEU 41 Ca 0.05 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2vvn h LEU 41 Cb 0.02 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 2vvn h LEU 41 CO -0.04 0.44 -0.03 0.11 -0.34 0.00 0.00 178.44 178.58 2vvn h LYS 42 N 0.63 0.00 0.11 1.25 1.57 -0.97 -0.66 116.57 118.50 2vvn h LYS 42 Ca 0.17 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.67 2vvn h LYS 42 Cb -0.03 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.30 2vvn h LYS 42 CO -0.03 0.03 -1.20 0.93 -0.57 0.00 0.00 179.45 178.60 2vvn h GLU 43 N 0.00 0.50 -0.35 3.15 5.08 -0.67 -2.74 114.58 119.55 2vvn h GLU 43 Ca -0.00 -0.68 -0.07 0.00 -1.00 0.00 0.00 59.36 57.61 2vvn h GLU 43 Cb 0.50 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2vvn h GLU 43 CO 0.00 1.29 -0.08 -0.07 -1.00 0.00 0.00 179.01 179.15 2vvn h LEU 44 N 0.22 0.57 -2.07 1.33 3.38 -0.78 -2.90 115.31 115.06 2vvn h LEU 44 Ca -0.16 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2vvn h LEU 44 Cb 1.88 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.47 2vvn h LEU 44 CO 0.22 0.70 0.00 0.18 0.09 0.00 0.00 178.44 179.63 2vvn n LEU 45 N -4.21 3.08 -4.70 1.67 4.32 -0.30 -4.93 117.00 111.94 2vvn n LEU 45 Ca 0.01 -1.55 -0.40 0.00 -0.02 0.00 0.00 56.01 54.05 2vvn n LEU 45 Cb 0.31 -0.42 0.02 0.00 -1.62 0.00 0.00 43.42 41.72 2vvn n LEU 45 CO 0.41 0.60 0.85 -0.24 -1.22 0.00 0.00 177.39 177.78 2vvn n SER 46 N 0.75 2.29 0.00 -1.43 2.88 -1.03 -2.16 113.62 114.93 2vvn n SER 46 Ca 0.17 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2vvn n SER 46 Cb 0.56 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 2vvn n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2vvn n GLY 47 N 0.88 2.93 4.00 0.46 0.00 -1.26 -5.00 105.19 107.20 2vvn n GLY 47 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2vvn n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vvn s LYS 48 N -0.18 1.95 0.00 1.61 -0.14 -0.92 -5.12 119.74 116.94 2vvn s LYS 48 Ca 0.00 -1.14 -0.08 0.00 -1.36 0.00 0.00 55.97 53.38 2vvn s LYS 48 Cb 0.00 -2.42 0.00 0.00 -1.68 0.00 0.00 37.83 33.74 2vvn s LYS 48 CO 0.00 -1.21 0.16 1.14 -0.76 0.00 0.00 175.35 174.68 2vvn s GLN 49 N -4.99 0.51 0.30 1.68 1.03 -1.22 -5.07 119.66 111.90 2vvn s GLN 49 Ca 0.64 -0.39 0.03 0.00 0.04 0.00 0.00 55.36 55.68 2vvn s GLN 49 Cb -0.06 0.21 -0.03 0.00 0.03 0.00 0.00 33.01 33.16 2vvn s GLN 49 CO 0.42 -0.13 0.46 -1.54 -2.54 0.00 0.00 175.29 171.97 2vvn s SER 50 N -1.40 6.27 0.20 12.60 1.04 -1.26 -3.30 113.70 127.85 2vvn s SER 50 Ca -0.14 0.23 -0.10 0.00 0.48 0.00 0.00 55.95 56.42 2vvn s SER 50 Cb -0.07 -1.89 0.04 0.00 0.10 0.00 0.00 66.02 64.19 2vvn s SER 50 CO 0.02 -0.21 0.50 -1.54 0.98 0.00 0.00 173.24 172.98 2vvn n SER 51 N -1.61 -1.26 -0.11 7.02 3.41 -0.90 -4.94 113.62 115.23 2vvn n SER 51 Ca -0.06 -1.83 0.14 0.00 -0.26 0.00 0.00 58.87 56.85 2vvn n SER 51 Cb 0.57 2.09 0.55 0.00 -0.26 0.00 0.00 64.21 67.16 2vvn n SER 51 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2vvn n LYS 52 N -0.34 0.56 -1.47 4.33 3.00 -1.26 -4.14 118.16 118.84 2vvn n LYS 52 Ca -0.04 -0.21 -0.12 0.00 -0.00 0.00 0.00 58.31 57.93 2vvn n LYS 52 Cb 0.34 -1.50 0.07 0.00 0.00 0.00 0.00 35.03 33.95 2vvn n LYS 52 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2vvn n LYS 53 N -1.03 0.07 0.00 1.64 5.02 -1.26 -4.93 118.16 117.66 2vvn n LYS 53 Ca 0.12 -1.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.11 2vvn n LYS 53 Cb 0.30 -0.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 2vvn n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vvn n GLY 54 N 1.03 -1.65 3.69 0.72 0.00 -1.26 -2.59 105.19 105.13 2vvn n GLY 54 Ca 0.08 -1.52 -0.44 0.00 0.00 0.00 0.00 46.02 44.14 2vvn n GLY 54 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2vvn n MET 55 N -1.89 2.28 -2.39 1.61 1.56 -1.10 -3.96 117.12 113.23 2vvn n MET 55 Ca 0.00 0.81 -0.42 0.00 -0.27 0.00 0.00 57.70 57.82 2vvn n MET 55 Cb 0.00 -2.53 -0.03 0.00 2.15 0.00 0.00 33.22 32.81 2vvn n MET 55 CO 0.00 0.00 0.00 -1.17 -0.73 0.00 0.00 175.97 174.07 2vvn s LEU 56 N 0.12 4.36 -0.16 -0.89 2.96 -1.25 0.50 118.68 124.32 2vvn s LEU 56 Ca 0.69 2.03 0.01 0.00 -0.22 0.00 0.00 54.13 56.64 2vvn s LEU 56 Cb -0.60 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 42.53 2vvn s LEU 56 CO 0.47 -0.51 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.18 2vvn s ILE 57 N 1.22 1.85 -0.18 6.68 1.01 0.71 -1.38 121.20 131.11 2vvn s ILE 57 Ca 0.59 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 2vvn s ILE 57 Cb -0.30 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 2vvn s ILE 57 CO 0.29 0.51 -0.10 -0.44 0.00 0.00 0.00 174.94 175.19 2vvn s SER 58 N 1.33 3.98 -0.03 3.58 0.01 -0.15 0.11 113.70 122.53 2vvn s SER 58 Ca 0.04 -0.42 0.04 0.00 1.31 0.00 0.00 55.95 56.92 2vvn s SER 58 Cb -0.13 -1.65 -0.00 0.00 0.21 0.00 0.00 66.02 64.45 2vvn s SER 58 CO -0.11 0.05 -0.14 -0.51 0.41 0.00 0.00 173.24 172.94 2vvn s ILE 59 N 1.05 1.17 0.00 1.44 2.07 -0.52 -0.70 121.20 125.70 2vvn s ILE 59 Ca -0.00 -0.59 0.00 0.00 -1.41 0.00 0.00 60.65 58.64 2vvn s ILE 59 Cb -0.15 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.45 2vvn s ILE 59 CO -0.02 0.34 0.00 0.61 -1.91 0.00 0.00 174.94 173.96 2vvn n GLY 60 N 3.01 0.05 3.90 1.50 0.00 -0.96 -4.27 105.19 108.42 2vvn n GLY 60 Ca -0.17 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 2vvn n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vvn s GLU 61 N -2.00 3.34 -0.13 1.61 8.01 -1.26 -1.04 118.70 127.23 2vvn s GLU 61 Ca 0.00 -0.50 -0.41 0.00 0.01 0.00 0.00 54.97 54.08 2vvn s GLU 61 Cb 0.00 -2.98 -0.19 0.00 -4.31 0.00 0.00 34.13 26.65 2vvn s GLU 61 CO 0.00 0.60 1.34 1.17 0.01 0.00 0.00 175.26 178.37 2vvn n LYS 62 N 0.26 0.39 0.00 1.61 4.81 0.55 -0.44 118.16 125.34 2vvn n LYS 62 Ca -0.06 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 2vvn n LYS 62 Cb 0.51 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.87 2vvn n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vvn n GLY 63 N 2.65 2.18 3.76 3.14 0.00 -1.26 -4.94 105.19 110.72 2vvn n GLY 63 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 2vvn n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vvn s ASP 64 N 0.12 5.91 0.36 1.61 1.01 0.41 -4.95 116.67 121.14 2vvn s ASP 64 Ca 0.00 2.48 0.03 0.00 0.71 0.00 0.00 52.55 55.77 2vvn s ASP 64 Cb 0.00 -2.62 0.66 0.00 1.01 0.00 0.00 42.92 41.98 2vvn s ASP 64 CO 0.00 -1.11 1.98 0.11 0.21 0.00 0.00 175.17 176.36 2vvn h LYS 65 N 1.93 0.70 -0.67 8.23 1.57 -1.97 -2.90 116.57 123.44 2vvn h LYS 65 Ca -0.50 -0.07 0.12 0.00 -1.87 0.00 0.00 60.65 58.33 2vvn h LYS 65 Cb 1.26 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.39 2vvn h LYS 65 CO 0.59 0.52 0.45 0.66 -0.57 0.00 0.00 179.45 181.11 2vvn h SER 66 N 0.70 0.40 -0.08 0.86 4.64 -1.89 -3.12 113.55 115.06 2vvn h SER 66 Ca 0.18 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 2vvn h SER 66 Cb 0.04 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2vvn h SER 66 CO -0.03 0.23 -0.05 1.33 -0.87 0.00 0.00 176.83 177.44 2vvn n VAL 67 N -4.47 2.05 -0.07 0.95 0.24 -1.10 -4.76 118.33 111.16 2vvn n VAL 67 Ca 0.12 -2.29 0.00 0.00 -2.04 0.00 0.00 64.34 60.13 2vvn n VAL 67 Cb 0.43 -0.25 0.29 0.00 -1.47 0.00 0.00 33.84 32.84 2vvn n VAL 67 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2vvn h ARG 68 N 0.56 0.69 0.00 7.34 3.08 -1.56 -1.91 114.38 122.59 2vvn h ARG 68 Ca 0.01 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2vvn h ARG 68 Cb 1.14 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 2vvn h ARG 68 CO 0.07 0.58 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.28 2vvn h LYS 69 N 0.69 0.00 -0.45 0.04 3.64 -1.86 -3.24 116.57 115.39 2vvn h LYS 69 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2vvn h LYS 69 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2vvn h LYS 69 CO -0.02 0.04 0.00 0.66 -2.27 0.00 0.00 179.45 177.87 2vvn n TYR 70 N -4.21 0.59 -0.28 1.91 4.01 -0.73 -4.67 117.16 113.78 2vvn n TYR 70 Ca -0.03 -0.40 0.17 0.00 -0.16 0.00 0.00 57.90 57.48 2vvn n TYR 70 Cb 0.13 -0.01 0.45 0.00 -0.31 0.00 0.00 39.34 39.60 2vvn n TYR 70 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2vvn h SER 71 N 3.25 0.53 0.51 7.72 4.64 -1.55 -0.05 113.55 128.60 2vvn h SER 71 Ca 0.00 0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.27 2vvn h SER 71 Cb 0.84 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 2vvn h SER 71 CO 0.00 0.21 -0.48 0.03 -0.87 0.00 0.00 176.83 175.72 2vvn h ARG 72 N 0.53 0.00 0.00 4.77 3.08 -1.87 -3.16 114.38 117.72 2vvn h ARG 72 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.55 2vvn h ARG 72 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2vvn h ARG 72 CO -0.23 0.48 -0.66 1.96 -1.07 0.00 0.00 179.97 180.45 2vvn h GLN 73 N 0.00 0.00 -6.25 0.04 7.50 -1.35 -3.46 115.11 111.59 2vvn h GLN 73 Ca -0.00 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.58 2vvn h GLN 73 Cb 0.86 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.36 2vvn h GLN 73 CO 0.06 0.00 1.03 0.42 -1.50 0.00 0.00 178.83 178.84 2vvn s ILE 74 N -3.19 3.91 0.31 2.54 1.01 -1.08 -4.70 121.20 119.99 2vvn s ILE 74 Ca 0.05 1.07 -0.29 0.00 0.00 0.00 0.00 60.65 61.48 2vvn s ILE 74 Cb 0.13 -3.80 -0.12 0.00 0.01 0.00 0.00 42.46 38.67 2vvn s ILE 74 CO 0.73 -0.22 1.45 -2.65 0.00 0.00 0.00 174.94 174.24 2vvn n PRO 75 N 7.17 2.37 -1.65 2.79 -0.02 -1.26 -4.86 135.00 139.55 2vvn n PRO 75 Ca 0.16 0.84 -0.40 0.00 -2.02 0.00 0.00 63.50 62.08 2vvn n PRO 75 Cb 0.45 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 2vvn n PRO 75 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2vvn n ASP 76 N 1.48 7.88 -3.90 2.55 2.03 -1.26 -4.68 116.55 120.64 2vvn n ASP 76 Ca 0.07 -2.83 -0.14 0.00 0.52 0.00 0.00 54.79 52.42 2vvn n ASP 76 Cb 0.36 -1.49 -0.14 0.00 -0.72 0.00 0.00 41.12 39.12 2vvn n ASP 76 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2vvn s HIS 77 N 0.98 0.19 0.12 -0.67 3.76 -1.26 -5.09 115.29 113.32 2vvn s HIS 77 Ca 0.61 -0.03 -0.35 0.00 -0.15 0.00 0.00 55.06 55.13 2vvn s HIS 77 Cb 0.17 -0.12 -0.17 0.00 1.11 0.00 0.00 32.58 33.57 2vvn s HIS 77 CO -0.07 -0.00 1.21 1.63 -0.85 0.00 0.00 174.74 176.66 2vvn n LYS 78 N 3.04 1.02 -1.05 1.40 5.02 -1.26 -1.38 118.16 124.95 2vvn n LYS 78 Ca -0.13 0.36 -0.02 0.00 -2.02 0.00 0.00 58.31 56.51 2vvn n LYS 78 Cb 0.59 -1.91 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 2vvn n LYS 78 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2vvn n GLU 79 N 2.04 -1.20 -1.68 1.97 1.02 -1.26 -4.50 120.64 117.03 2vvn n GLU 79 Ca 0.17 0.39 -0.31 0.00 -0.02 0.00 0.00 57.16 57.40 2vvn n GLU 79 Cb 0.21 -4.34 0.04 0.00 -0.02 0.00 0.00 31.44 27.33 2vvn n GLU 79 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2vvn s GLY 80 N -2.11 1.66 0.13 0.62 0.00 -0.48 -4.21 107.32 102.93 2vvn s GLY 80 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 44.72 44.48 2vvn s GLY 80 CO 0.00 0.29 0.55 -2.52 0.00 0.00 0.00 173.10 171.42 2vvn s TYR 81 N -3.11 -0.46 -0.11 1.90 -0.85 -0.44 -0.05 117.35 114.22 2vvn s TYR 81 Ca 0.57 0.29 0.02 0.00 -0.52 0.00 0.00 57.07 57.44 2vvn s TYR 81 Cb -0.13 0.45 -0.01 0.00 0.38 0.00 0.00 41.96 42.66 2vvn s TYR 81 CO 0.54 -0.78 -0.19 -0.47 -1.52 0.00 0.00 175.55 173.13 2vvn s TYR 82 N -3.45 2.66 -0.07 -3.49 5.04 0.13 -1.96 117.35 116.22 2vvn s TYR 82 Ca -0.00 -0.86 0.03 0.00 -2.44 0.00 0.00 57.07 53.80 2vvn s TYR 82 Cb -0.00 -1.76 0.01 0.00 0.35 0.00 0.00 41.96 40.55 2vvn s TYR 82 CO -0.10 -0.32 -0.15 -1.17 -1.34 0.00 0.00 175.55 172.47 2vvn s LEU 83 N 0.32 1.77 -0.02 6.97 0.20 -0.36 -0.69 118.68 126.88 2vvn s LEU 83 Ca -0.15 -0.35 0.01 0.00 0.69 0.00 0.00 54.13 54.32 2vvn s LEU 83 Cb -0.17 -0.95 0.01 0.00 -0.43 0.00 0.00 46.19 44.65 2vvn s LEU 83 CO 0.07 0.08 -0.02 -0.55 -0.29 0.00 0.00 176.35 175.64 2vvn s SER 84 N 0.50 0.38 -0.10 3.68 0.15 -0.53 -0.36 113.70 117.42 2vvn s SER 84 Ca -0.14 -0.04 -0.00 0.00 0.70 0.00 0.00 55.95 56.47 2vvn s SER 84 Cb -0.15 -0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.05 2vvn s SER 84 CO 0.04 -0.03 -0.07 -0.69 1.20 0.00 0.00 173.24 173.70 2vvn s VAL 85 N 0.44 0.90 0.32 4.45 1.01 0.01 -0.57 120.40 126.95 2vvn s VAL 85 Ca -0.04 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.77 2vvn s VAL 85 Cb -0.07 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2vvn s VAL 85 CO -0.01 0.34 0.29 0.54 0.00 0.00 0.00 175.10 176.26 2vvn s ASN 86 N 1.61 1.46 0.53 3.32 2.20 -0.95 -1.70 114.94 121.41 2vvn s ASN 86 Ca 0.02 -1.70 0.21 0.00 -0.94 0.00 0.00 52.86 50.46 2vvn s ASN 86 Cb -0.13 0.56 1.35 0.00 -2.00 0.00 0.00 41.25 41.03 2vvn s ASN 86 CO -0.06 -1.07 2.07 1.05 -2.94 0.00 0.00 177.10 176.14 2vvn h GLU 87 N 2.17 0.00 0.07 3.55 9.09 -1.98 -3.15 114.58 124.33 2vvn h GLU 87 Ca -0.26 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 58.81 2vvn h GLU 87 Cb 1.23 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.30 2vvn h GLU 87 CO 0.38 0.00 -1.91 0.36 0.05 0.00 0.00 179.01 177.89 2vvn n LYS 88 N -4.43 0.71 -3.69 1.06 2.85 -1.26 -5.03 118.16 108.37 2vvn n LYS 88 Ca 0.04 0.27 -0.09 0.00 -1.05 0.00 0.00 58.31 57.47 2vvn n LYS 88 Cb 0.37 -1.73 -0.03 0.00 -0.65 0.00 0.00 35.03 32.99 2vvn n LYS 88 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2vvn s GLU 89 N -2.57 1.51 -0.11 -1.58 -1.05 -1.19 -3.92 118.70 109.79 2vvn s GLU 89 Ca -0.15 -0.80 0.01 0.00 -0.15 0.00 0.00 54.97 53.88 2vvn s GLU 89 Cb 0.07 0.58 -0.02 0.00 -0.44 0.00 0.00 34.13 34.32 2vvn s GLU 89 CO 0.79 -0.67 -0.15 0.42 0.95 0.00 0.00 175.26 176.60 2vvn s ILE 90 N -3.86 2.90 -0.09 1.83 1.01 -0.48 -2.23 121.20 120.29 2vvn s ILE 90 Ca 0.08 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.04 2vvn s ILE 90 Cb -0.03 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.26 2vvn s ILE 90 CO -0.02 0.54 -0.22 -0.69 0.00 0.00 0.00 174.94 174.55 2vvn s VAL 91 N 0.09 1.92 -0.41 2.92 1.01 0.26 -0.98 120.40 125.21 2vvn s VAL 91 Ca -0.07 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.98 2vvn s VAL 91 Cb -0.15 -1.66 0.14 0.00 0.00 0.00 0.00 36.38 34.72 2vvn s VAL 91 CO 0.05 0.53 0.25 -0.76 0.00 0.00 0.00 175.10 175.16 2vvn s LEU 92 N 0.28 1.98 -0.23 3.92 1.43 0.12 -1.45 118.68 124.74 2vvn s LEU 92 Ca -0.15 -2.54 0.02 0.00 -1.03 0.00 0.00 54.13 50.42 2vvn s LEU 92 Cb -0.17 -0.75 0.05 0.00 0.03 0.00 0.00 46.19 45.35 2vvn s LEU 92 CO 0.07 -0.27 -0.11 0.00 0.23 0.00 0.00 176.35 176.28 2vvn s ALA 93 N 0.54 2.25 0.25 4.21 0.00 0.13 -2.27 121.76 126.86 2vvn s ALA 93 Ca 0.20 -1.45 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 2vvn s ALA 93 Cb -0.20 -1.41 -0.07 0.00 0.00 0.00 0.00 23.12 21.43 2vvn s ALA 93 CO -0.02 -0.98 0.57 0.20 0.00 0.00 0.00 175.76 175.53 2vvn s GLY 94 N 1.27 2.25 0.34 0.00 0.00 -0.20 0.18 107.32 111.16 2vvn s GLY 94 Ca -0.04 -0.26 0.09 0.00 0.00 0.00 0.00 44.72 44.50 2vvn s GLY 94 CO -0.07 -0.12 1.80 -0.57 0.00 0.00 0.00 173.10 174.14 2vvn h ASN 95 N 2.43 0.17 -5.55 1.64 -1.24 -0.74 0.16 115.58 112.45 2vvn h ASN 95 Ca -0.47 -0.06 -0.29 0.00 0.71 0.00 0.00 56.30 56.20 2vvn h ASN 95 Cb 1.17 -0.05 -0.09 0.00 0.73 0.00 0.00 38.32 40.09 2vvn h ASN 95 CO 0.69 0.49 -0.23 1.51 -1.29 0.00 0.00 177.43 178.60 2vvn s ASP 96 N -6.89 0.94 0.21 1.15 1.47 -1.26 -4.11 116.67 108.17 2vvn s ASP 96 Ca -0.04 -1.49 -0.09 0.00 1.18 0.00 0.00 52.55 52.10 2vvn s ASP 96 Cb 0.14 0.64 0.21 0.00 -0.34 0.00 0.00 42.92 43.58 2vvn s ASP 96 CO 0.75 -1.26 1.84 -0.33 0.68 0.00 0.00 175.17 176.85 2vvn h GLU 97 N 2.13 0.81 -0.34 2.11 5.08 -1.96 -1.31 114.58 121.11 2vvn h GLU 97 Ca -0.28 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 57.96 2vvn h GLU 97 Cb 1.24 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2vvn h GLU 97 CO 0.39 0.54 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.74 2vvn h ARG 98 N 0.84 0.57 -0.77 2.33 2.43 -1.95 -2.31 114.38 115.52 2vvn h ARG 98 Ca 0.29 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2vvn h ARG 98 Cb 0.07 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 2vvn h ARG 98 CO -0.13 0.67 0.47 0.78 -1.51 0.00 0.00 179.97 180.25 2vvn h GLY 99 N 0.93 1.10 0.89 2.80 0.00 -1.43 0.29 103.07 107.66 2vvn h GLY 99 Ca 0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 2vvn h GLY 99 CO 0.03 0.43 0.07 -0.84 0.00 0.00 0.00 176.54 176.23 2vvn h THR 100 N 1.05 1.22 -0.50 4.70 2.02 -0.86 -0.48 112.91 120.07 2vvn h THR 100 Ca 0.28 -0.75 0.07 0.00 0.77 0.00 0.00 66.41 66.78 2vvn h THR 100 Cb -0.06 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 2vvn h THR 100 CO -0.05 0.25 0.15 0.22 0.37 0.00 0.00 175.52 176.45 2vvn h TYR 101 N 0.32 0.25 -0.32 3.16 3.20 -1.13 -1.95 116.97 120.51 2vvn h TYR 101 Ca 0.09 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 2vvn h TYR 101 Cb 0.31 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2vvn h TYR 101 CO 0.02 0.06 0.00 1.88 -1.64 0.00 0.00 178.16 178.48 2vvn h TYR 102 N 0.31 0.51 -0.53 -3.82 0.05 -0.57 -1.67 116.97 111.25 2vvn h TYR 102 Ca 0.24 -0.05 0.02 0.00 0.05 0.00 0.00 58.73 59.00 2vvn h TYR 102 Cb 0.29 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 2vvn h TYR 102 CO -0.18 0.50 0.32 0.00 -1.05 0.00 0.00 178.16 177.75 2vvn h ALA 103 N 1.53 0.67 -0.63 3.88 0.00 -0.76 -1.42 119.26 122.53 2vvn h ALA 103 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2vvn h ALA 103 Cb 0.31 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2vvn h ALA 103 CO 0.01 0.03 0.23 -0.07 0.00 0.00 0.00 179.25 179.45 2vvn h LEU 104 N 0.63 0.86 -0.92 0.00 -0.00 -0.82 0.54 115.31 115.61 2vvn h LEU 104 Ca 0.21 -0.13 -0.10 0.00 -0.00 0.00 0.00 57.88 57.86 2vvn h LEU 104 Cb 0.01 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.44 2vvn h LEU 104 CO -0.09 0.78 -0.34 1.56 -0.00 0.00 0.00 178.44 180.36 2vvn h GLN 105 N 0.91 0.38 -0.23 1.13 1.08 -0.68 -0.07 115.11 117.64 2vvn h GLN 105 Ca 0.21 -0.16 -0.11 0.00 -1.45 0.00 0.00 58.65 57.14 2vvn h GLN 105 Cb 0.21 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2vvn h GLN 105 CO -0.01 0.68 -0.29 1.15 -0.95 0.00 0.00 178.83 179.40 2vvn h THR 106 N 0.33 1.32 -0.83 -0.54 2.02 -1.00 -3.24 112.91 110.96 2vvn h THR 106 Ca 0.04 -1.48 0.04 0.00 0.77 0.00 0.00 66.41 65.78 2vvn h THR 106 Cb 0.76 1.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.86 2vvn h THR 106 CO 0.06 0.46 0.52 0.15 0.37 0.00 0.00 175.52 177.08 2vvn h PHE 107 N 0.29 0.98 -0.32 3.16 3.57 -0.39 -1.95 116.94 122.28 2vvn h PHE 107 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2vvn h PHE 107 Cb 0.86 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 2vvn h PHE 107 CO 0.08 0.54 0.15 0.00 -2.23 0.00 0.00 178.31 176.84 2vvn h ALA 108 N 1.37 1.66 0.00 2.41 0.00 -1.07 -2.12 119.26 121.51 2vvn h ALA 108 Ca 0.34 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2vvn h ALA 108 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2vvn h ALA 108 CO -0.14 0.27 -0.47 1.96 0.00 0.00 0.00 179.25 180.87 2vvn h GLN 109 N 0.44 0.00 -0.05 0.00 4.20 -1.40 -3.22 115.11 115.08 2vvn h GLN 109 Ca 0.11 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.67 2vvn h GLN 109 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2vvn h GLN 109 CO -0.02 0.47 -0.66 -0.07 -0.67 0.00 0.00 178.83 177.89 2vvn h LEU 110 N 0.00 0.26 -8.94 1.46 3.38 -0.88 -3.44 115.31 107.16 2vvn h LEU 110 Ca -0.00 -0.16 -0.57 0.00 0.09 0.00 0.00 57.88 57.23 2vvn h LEU 110 Cb 1.17 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 2vvn h LEU 110 CO 0.06 0.85 0.99 -0.22 0.09 0.00 0.00 178.44 180.21 2vvn s LEU 111 N -7.82 3.85 -0.10 1.67 2.96 -1.00 -4.38 118.68 113.86 2vvn s LEU 111 Ca -0.04 1.19 -0.04 0.00 -0.22 0.00 0.00 54.13 55.03 2vvn s LEU 111 Cb 0.12 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.32 2vvn s LEU 111 CO 0.80 -1.13 0.20 -0.54 -1.32 0.00 0.00 176.35 174.37 2vvn s LYS 112 N 4.28 0.09 -1.33 1.98 1.02 -0.30 -4.88 119.74 120.59 2vvn s LYS 112 Ca 0.58 0.61 -0.06 0.00 0.02 0.00 0.00 55.97 57.12 2vvn s LYS 112 Cb -0.17 -0.17 0.02 0.00 -0.52 0.00 0.00 37.83 36.99 2vvn s LYS 112 CO 0.24 -0.28 1.07 -0.25 -0.92 0.00 0.00 175.35 175.22 2vvn n ASP 113 N 5.17 -4.55 -0.35 2.83 10.43 -1.26 -2.33 116.55 126.49 2vvn n ASP 113 Ca -0.08 -0.61 -0.05 0.00 2.57 0.00 0.00 54.79 56.62 2vvn n ASP 113 Cb 0.50 -4.86 -0.02 0.00 1.84 0.00 0.00 41.12 38.58 2vvn n ASP 113 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2vvn n GLY 114 N -1.69 0.64 3.28 0.44 0.00 -1.26 -4.99 105.19 101.62 2vvn n GLY 114 Ca -0.10 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 2vvn n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vvn s LYS 115 N -1.85 1.14 0.00 1.61 1.02 -0.98 -1.25 119.74 119.44 2vvn s LYS 115 Ca 0.00 -1.40 0.02 0.00 0.02 0.00 0.00 55.97 54.61 2vvn s LYS 115 Cb 0.00 -0.94 -0.01 0.00 -0.52 0.00 0.00 37.83 36.36 2vvn s LYS 115 CO 0.00 0.16 -0.08 -0.51 -0.92 0.00 0.00 175.35 174.01 2vvn s LEU 116 N -2.88 2.05 0.59 3.17 1.43 0.27 -1.15 118.68 122.15 2vvn s LEU 116 Ca 0.15 -0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 2vvn s LEU 116 Cb -0.02 -0.37 -0.05 0.00 0.03 0.00 0.00 46.19 45.78 2vvn s LEU 116 CO 0.04 0.05 1.02 -2.16 0.23 0.00 0.00 176.35 175.53 2vvn s PRO 117 N -0.40 3.63 -0.46 1.29 0.04 -1.26 -0.23 135.00 137.60 2vvn s PRO 117 Ca 0.01 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 61.65 2vvn s PRO 117 Cb -0.04 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.44 2vvn s PRO 117 CO -0.00 -0.54 1.15 -1.21 0.04 0.00 0.00 177.00 176.43 2vvn s GLU 118 N -4.67 3.74 0.04 4.56 2.02 0.35 -4.73 118.70 120.01 2vvn s GLU 118 Ca 0.57 0.62 -0.01 0.00 0.02 0.00 0.00 54.97 56.18 2vvn s GLU 118 Cb -0.11 -3.90 -0.03 0.00 0.10 0.00 0.00 34.13 30.18 2vvn s GLU 118 CO 0.44 -1.36 -0.03 0.14 0.02 0.00 0.00 175.26 174.48 2vvn s VAL 119 N 4.45 0.18 -0.07 2.63 -7.23 -0.69 -0.60 120.40 119.07 2vvn s VAL 119 Ca 0.48 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2vvn s VAL 119 Cb -0.08 -1.09 0.02 0.00 0.56 0.00 0.00 36.38 35.80 2vvn s VAL 119 CO 0.31 -0.83 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.52 2vvn s GLU 120 N -3.08 1.02 -0.05 4.82 2.12 0.01 -0.81 118.70 122.73 2vvn s GLU 120 Ca -0.01 -0.12 0.03 0.00 0.36 0.00 0.00 54.97 55.23 2vvn s GLU 120 Cb 0.02 -1.08 0.00 0.00 0.26 0.00 0.00 34.13 33.33 2vvn s GLU 120 CO -0.07 -0.15 -0.14 0.42 -0.54 0.00 0.00 175.26 174.78 2vvn s ILE 121 N 1.28 1.21 -0.18 -3.70 1.01 0.51 -0.71 121.20 120.62 2vvn s ILE 121 Ca -0.05 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.04 2vvn s ILE 121 Cb -0.14 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.29 2vvn s ILE 121 CO -0.02 0.36 -0.19 -0.54 0.00 0.00 0.00 174.94 174.54 2vvn s LYS 122 N 0.25 2.91 0.05 2.79 1.02 -0.96 -1.22 119.74 124.59 2vvn s LYS 122 Ca -0.07 -0.81 -0.03 0.00 0.02 0.00 0.00 55.97 55.08 2vvn s LYS 122 Cb -0.12 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 2vvn s LYS 122 CO 0.02 -0.22 0.02 0.34 -0.92 0.00 0.00 175.35 174.59 2vvn s ASP 123 N 1.30 0.39 -0.29 2.83 2.15 -0.83 -1.55 116.67 120.67 2vvn s ASP 123 Ca 0.05 -0.87 -0.33 0.00 0.43 0.00 0.00 52.55 51.82 2vvn s ASP 123 Cb -0.13 0.22 0.18 0.00 -0.30 0.00 0.00 42.92 42.89 2vvn s ASP 123 CO -0.13 -0.59 1.39 -0.72 -0.17 0.00 0.00 175.17 174.95 2vvn s TYR 124 N -3.64 -0.01 0.29 -5.34 -0.85 -1.26 -1.33 117.35 105.20 2vvn s TYR 124 Ca 0.04 0.01 -0.22 0.00 -0.52 0.00 0.00 57.07 56.39 2vvn s TYR 124 Cb 0.06 0.50 -0.09 0.00 0.38 0.00 0.00 41.96 42.80 2vvn s TYR 124 CO -0.09 -0.01 0.83 -1.25 -1.52 0.00 0.00 175.55 173.51 2vvn s PRO 125 N -1.47 4.36 0.28 -3.49 0.04 -1.26 -4.72 135.00 128.74 2vvn s PRO 125 Ca 0.11 1.06 0.19 0.00 0.04 0.00 0.00 61.00 62.39 2vvn s PRO 125 Cb -0.01 -2.74 0.10 0.00 0.04 0.00 0.00 34.50 31.89 2vvn s PRO 125 CO -0.06 0.29 1.33 0.77 0.04 0.00 0.00 177.00 179.37 2vvn h SER 126 N 3.07 0.00 -3.79 6.66 0.02 -1.34 -3.45 113.55 114.73 2vvn h SER 126 Ca -0.48 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.79 2vvn h SER 126 Cb 1.19 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.44 2vvn h SER 126 CO 0.65 0.29 -0.84 -0.69 -1.14 0.00 0.00 176.83 175.10 2vvn s VAL 127 N -3.09 2.43 0.02 2.27 1.01 -1.12 -4.59 120.40 117.33 2vvn s VAL 127 Ca 0.03 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 2vvn s VAL 127 Cb 0.07 -1.93 -0.16 0.00 0.00 0.00 0.00 36.38 34.36 2vvn s VAL 127 CO 0.74 0.56 1.33 -0.09 0.00 0.00 0.00 175.10 177.64 2vvn h ARG 128 N 6.16 0.21 -5.14 2.72 9.65 -1.81 -3.42 114.38 122.75 2vvn h ARG 128 Ca -0.31 -0.11 -0.65 0.00 -1.10 0.00 0.00 59.98 57.81 2vvn h ARG 128 Cb 1.19 0.00 -0.26 0.00 -1.39 0.00 0.00 29.97 29.51 2vvn h ARG 128 CO 0.49 0.62 -0.72 0.71 2.80 0.00 0.00 179.97 183.87 2vvn s TYR 129 N -4.34 2.93 -0.04 2.20 2.02 -1.01 -4.94 117.35 114.18 2vvn s TYR 129 Ca -0.15 -0.74 0.01 0.00 -0.37 0.00 0.00 57.07 55.82 2vvn s TYR 129 Cb 0.04 -2.00 0.02 0.00 -0.40 0.00 0.00 41.96 39.62 2vvn s TYR 129 CO 0.72 -0.36 -0.02 1.03 -1.57 0.00 0.00 175.55 175.35 2vvn s ARG 130 N 0.95 0.54 0.00 -0.62 0.52 -1.26 -0.51 118.95 118.58 2vvn s ARG 130 Ca -0.01 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 2vvn s ARG 130 Cb -0.15 -0.64 0.00 0.00 0.52 0.00 0.00 34.95 34.69 2vvn s ARG 130 CO 0.00 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.63 2vvn n GLY 131 N 4.06 -0.65 3.17 -3.53 0.00 -0.88 0.02 105.19 107.38 2vvn n GLY 131 Ca -0.26 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 2vvn n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vvn s VAL 132 N -4.00 1.68 -0.30 1.61 1.01 -0.77 -2.03 120.40 117.60 2vvn s VAL 132 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 2vvn s VAL 132 Cb 0.00 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 2vvn s VAL 132 CO 0.00 0.48 0.17 0.54 0.00 0.00 0.00 175.10 176.29 2vvn s VAL 133 N 0.16 4.91 -1.09 2.92 0.11 -0.55 -0.76 120.40 126.09 2vvn s VAL 133 Ca -0.09 -0.19 -0.22 0.00 -2.93 0.00 0.00 61.98 58.55 2vvn s VAL 133 Cb -0.14 -3.44 0.05 0.00 -1.53 0.00 0.00 36.38 31.32 2vvn s VAL 133 CO 0.04 0.13 1.57 -0.70 -3.33 0.00 0.00 175.10 172.81 2vvn s GLU 134 N 1.68 3.62 -0.04 1.54 2.12 0.51 -4.07 118.70 124.06 2vvn s GLU 134 Ca 0.06 -1.32 0.06 0.00 0.36 0.00 0.00 54.97 54.13 2vvn s GLU 134 Cb -0.17 -5.39 0.09 0.00 0.26 0.00 0.00 34.13 28.93 2vvn s GLU 134 CO 0.08 -2.33 0.97 0.41 -0.54 0.00 0.00 175.26 173.85 2vvn n GLY 135 N 6.46 1.69 3.91 -1.50 0.00 -1.26 -1.58 105.19 112.91 2vvn n GLY 135 Ca 0.38 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 2vvn n GLY 135 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vvn s PHE 136 N -1.07 3.47 0.14 1.61 -0.12 -1.26 -4.46 117.98 116.29 2vvn s PHE 136 Ca 0.10 0.81 -0.26 0.00 -0.05 0.00 0.00 56.93 57.53 2vvn s PHE 136 Cb 0.09 -2.48 -0.07 0.00 -0.63 0.00 0.00 43.02 39.93 2vvn s PHE 136 CO 0.01 -0.49 0.81 0.71 -0.05 0.00 0.00 175.22 176.21 2vvn s TYR 137 N -2.86 3.86 -2.39 3.49 2.02 -1.26 -1.83 117.35 118.38 2vvn s TYR 137 Ca 0.50 1.64 0.00 0.00 -0.37 0.00 0.00 57.07 58.84 2vvn s TYR 137 Cb -0.10 -2.83 0.00 0.00 -0.40 0.00 0.00 41.96 38.63 2vvn s TYR 137 CO 0.46 0.42 0.00 0.41 -1.57 0.00 0.00 175.55 175.26 2vvn n GLY 138 N 1.86 0.68 3.67 0.71 0.00 -1.26 -4.73 105.19 106.12 2vvn n GLY 138 Ca -0.04 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 2vvn n GLY 138 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2vvn n THR 139 N 2.87 0.62 -2.06 2.61 -1.04 -1.26 -4.49 114.28 111.52 2vvn n THR 139 Ca 0.00 -0.11 -0.35 0.00 -2.04 0.00 0.00 64.05 61.55 2vvn n THR 139 Cb 0.00 -2.22 0.02 0.00 -1.82 0.00 0.00 70.33 66.32 2vvn n THR 139 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2vvn s PRO 140 N 3.82 3.08 0.46 -2.82 0.02 -1.26 -4.82 135.00 133.49 2vvn s PRO 140 Ca 0.87 1.67 -0.22 0.00 0.02 0.00 0.00 61.00 63.34 2vvn s PRO 140 Cb -0.47 -1.96 -0.11 0.00 0.02 0.00 0.00 34.50 31.98 2vvn s PRO 140 CO 0.41 -1.08 0.74 0.91 -0.33 0.00 0.00 177.00 177.65 2vvn n TRP 141 N -1.62 0.16 -1.73 6.54 8.01 -1.26 -4.96 117.44 122.58 2vvn n TRP 141 Ca 0.12 0.55 -0.31 0.00 -1.31 0.00 0.00 57.50 56.55 2vvn n TRP 141 Cb 0.51 -2.08 0.03 0.00 -2.01 0.00 0.00 31.31 27.76 2vvn n TRP 141 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 2vvn s SER 142 N -0.94 5.73 0.18 -0.99 1.04 -1.26 -4.85 113.70 112.61 2vvn s SER 142 Ca 0.65 1.48 -0.13 0.00 0.48 0.00 0.00 55.95 58.43 2vvn s SER 142 Cb -0.55 -2.42 0.13 0.00 0.10 0.00 0.00 66.02 63.28 2vvn s SER 142 CO 0.56 -1.20 1.79 -0.74 0.98 0.00 0.00 173.24 174.63 2vvn h HIS 143 N -0.55 0.48 -0.27 5.02 2.76 -2.00 -0.40 115.15 120.20 2vvn h HIS 143 Ca -0.44 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 57.68 2vvn h HIS 143 Cb 1.21 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 30.01 2vvn h HIS 143 CO 0.62 0.24 -0.15 1.96 -1.30 0.00 0.00 177.93 179.30 2vvn h GLN 144 N 0.51 0.46 -0.23 5.26 1.08 -2.00 -1.38 115.11 118.81 2vvn h GLN 144 Ca 0.22 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 2vvn h GLN 144 Cb 0.12 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2vvn h GLN 144 CO -0.15 0.60 0.03 0.00 -0.95 0.00 0.00 178.83 178.36 2vvn h ALA 145 N 1.43 0.31 -0.72 3.87 0.00 -1.68 -2.08 119.26 120.37 2vvn h ALA 145 Ca 0.08 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2vvn h ALA 145 Cb 0.51 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2vvn h ALA 145 CO 0.03 -0.01 0.43 0.00 0.00 0.00 0.00 179.25 179.70 2vvn h ARG 146 N 0.18 0.78 -0.60 0.00 3.08 -0.56 -0.24 114.38 117.02 2vvn h ARG 146 Ca 0.07 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.14 2vvn h ARG 146 Cb 0.34 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 2vvn h ARG 146 CO 0.01 0.52 0.28 -0.07 -1.07 0.00 0.00 179.97 179.63 2vvn h LEU 147 N 0.81 0.36 -0.51 3.04 3.38 -1.15 -0.89 115.31 120.35 2vvn h LEU 147 Ca 0.31 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 2vvn h LEU 147 Cb 0.13 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2vvn h LEU 147 CO -0.16 0.23 0.26 -1.28 0.09 0.00 0.00 178.44 177.58 2vvn h SER 148 N 0.51 0.65 -0.31 -0.43 0.87 -0.68 -2.99 113.55 111.18 2vvn h SER 148 Ca 0.29 -0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2vvn h SER 148 Cb 0.27 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2vvn h SER 148 CO -0.23 0.58 0.15 1.56 -0.53 0.00 0.00 176.83 178.36 2vvn h GLN 149 N 0.67 0.31 -0.52 2.24 1.08 -0.45 -2.02 115.11 116.41 2vvn h GLN 149 Ca 0.18 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.39 2vvn h GLN 149 Cb 0.09 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 2vvn h GLN 149 CO -0.02 0.20 0.35 -0.07 -0.95 0.00 0.00 178.83 178.34 2vvn h LEU 150 N 0.31 0.52 -0.33 1.46 3.38 -1.04 0.10 115.31 119.72 2vvn h LEU 150 Ca 0.13 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 2vvn h LEU 150 Cb 0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2vvn h LEU 150 CO -0.09 0.36 -0.53 0.11 0.09 0.00 0.00 178.44 178.38 2vvn h LYS 151 N 0.61 0.86 -0.93 1.13 1.57 -1.44 -2.71 116.57 115.66 2vvn h LYS 151 Ca 0.21 -0.53 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2vvn h LYS 151 Cb 0.08 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 2vvn h LYS 151 CO -0.05 1.17 0.57 0.35 -0.57 0.00 0.00 179.45 180.91 2vvn h PHE 152 N 0.66 1.22 -0.32 -1.35 3.57 -0.14 -2.68 116.94 117.91 2vvn h PHE 152 Ca 0.02 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2vvn h PHE 152 Cb 1.13 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2vvn h PHE 152 CO 0.07 0.81 -0.01 1.88 -2.23 0.00 0.00 178.31 178.83 2vvn h TYR 153 N 1.28 0.62 -0.80 0.41 0.05 -0.89 -2.50 116.97 115.15 2vvn h TYR 153 Ca 0.34 -0.11 0.05 0.00 0.05 0.00 0.00 58.73 59.06 2vvn h TYR 153 Cb -0.07 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 37.46 2vvn h TYR 153 CO 0.00 0.70 0.49 0.78 -1.05 0.00 0.00 178.16 179.08 2vvn h GLY 154 N 0.37 1.19 2.00 3.88 0.00 -1.32 0.90 103.07 110.08 2vvn h GLY 154 Ca 0.09 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 2vvn h GLY 154 CO 0.02 0.25 -0.28 0.50 0.00 0.00 0.00 176.54 177.04 2vvn h LYS 155 N 0.91 0.00 -0.42 4.80 1.57 -1.22 -2.97 116.57 119.24 2vvn h LYS 155 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2vvn h LYS 155 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2vvn h LYS 155 CO -0.16 0.28 0.00 0.09 -0.57 0.00 0.00 179.45 179.09 2vvn n ASN 156 N -3.81 3.58 -3.09 0.86 3.02 -0.83 -4.90 115.26 110.09 2vvn n ASN 156 Ca -0.01 -2.32 -0.23 0.00 -0.03 0.00 0.00 54.58 51.99 2vvn n ASN 156 Cb 0.37 -0.39 0.04 0.00 -0.61 0.00 0.00 39.78 39.18 2vvn n ASN 156 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2vvn n LYS 157 N 0.49 -5.00 -3.11 3.52 5.02 -0.35 -4.64 118.16 114.08 2vvn n LYS 157 Ca 0.18 0.88 -0.40 0.00 -2.02 0.00 0.00 58.31 56.94 2vvn n LYS 157 Cb 0.64 -5.74 -0.05 0.00 -0.02 0.00 0.00 35.03 29.85 2vvn n LYS 157 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2vvn s MET 158 N -5.77 4.28 0.00 1.97 -1.94 0.17 -4.91 119.30 113.09 2vvn s MET 158 Ca 0.33 0.69 0.22 0.00 -1.71 0.00 0.00 55.69 55.22 2vvn s MET 158 Cb -0.15 -3.53 0.59 0.00 2.01 0.00 0.00 34.83 33.75 2vvn s MET 158 CO 0.41 -0.13 1.50 0.27 -0.01 0.00 0.00 175.02 177.06 2vvn n ASN 159 N 4.62 3.74 -3.74 3.03 0.23 0.10 -4.37 115.26 118.86 2vvn n ASN 159 Ca -0.02 -2.00 -0.14 0.00 -0.53 0.00 0.00 54.58 51.90 2vvn n ASN 159 Cb 0.50 -0.43 -0.15 0.00 -2.08 0.00 0.00 39.78 37.63 2vvn n ASN 159 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2vvn s THR 160 N -1.14 -0.07 -0.24 5.53 2.01 -0.91 -0.20 115.64 120.63 2vvn s THR 160 Ca 0.46 0.20 -0.03 0.00 0.31 0.00 0.00 61.69 62.63 2vvn s THR 160 Cb 0.24 -0.23 0.08 0.00 0.01 0.00 0.00 72.50 72.60 2vvn s THR 160 CO 0.32 0.08 0.07 -0.47 -0.69 0.00 0.00 174.62 173.94 2vvn s TYR 161 N 1.25 1.04 -0.33 4.92 5.04 -0.42 -1.84 117.35 127.02 2vvn s TYR 161 Ca -0.08 -1.07 -0.19 0.00 -2.44 0.00 0.00 57.07 53.29 2vvn s TYR 161 Cb -0.12 -1.17 -0.01 0.00 0.35 0.00 0.00 41.96 41.01 2vvn s TYR 161 CO -0.06 -0.72 0.57 0.42 -1.34 0.00 0.00 175.55 174.43 2vvn s ILE 162 N 1.85 4.98 -0.38 3.14 1.01 0.06 0.06 121.20 131.92 2vvn s ILE 162 Ca 0.04 0.60 -0.23 0.00 0.00 0.00 0.00 60.65 61.06 2vvn s ILE 162 Cb -0.17 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.34 2vvn s ILE 162 CO -0.18 -0.17 0.79 -0.47 0.00 0.00 0.00 174.94 174.91 2vvn s TYR 163 N 2.50 3.09 -0.42 3.97 5.04 0.21 -0.36 117.35 131.38 2vvn s TYR 163 Ca 0.22 0.48 0.06 0.00 -2.44 0.00 0.00 57.07 55.39 2vvn s TYR 163 Cb -0.15 -3.46 0.32 0.00 0.35 0.00 0.00 41.96 39.03 2vvn s TYR 163 CO 0.13 -0.78 1.21 0.41 -1.34 0.00 0.00 175.55 175.17 2vvn n GLY 164 N 4.62 0.42 3.67 8.97 0.00 -0.61 -1.23 105.19 121.02 2vvn n GLY 164 Ca 0.03 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2vvn n GLY 164 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2vvn s PRO 165 N 0.21 4.18 0.56 1.61 0.02 -0.79 -4.10 135.00 136.70 2vvn s PRO 165 Ca 0.21 2.31 0.24 0.00 0.02 0.00 0.00 61.00 63.78 2vvn s PRO 165 Cb 0.30 -3.85 1.55 0.00 0.02 0.00 0.00 34.50 32.53 2vvn s PRO 165 CO -0.08 -0.81 2.16 0.87 -0.33 0.00 0.00 177.00 178.81 2vvn h LYS 166 N 9.18 0.00 -0.25 5.54 1.79 -1.58 -1.63 116.57 129.62 2vvn h LYS 166 Ca -0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2vvn h LYS 166 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2vvn h LYS 166 CO 0.94 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 179.06 2vvn n ASP 167 N -4.13 2.22 -4.63 0.86 8.00 -1.26 -4.75 116.55 112.86 2vvn n ASP 167 Ca -0.01 -1.82 -0.43 0.00 0.71 0.00 0.00 54.79 53.25 2vvn n ASP 167 Cb 0.20 -0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.12 2vvn n ASP 167 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2vvn s ASP 168 N -1.50 6.82 0.53 -2.24 2.15 -0.62 -4.92 116.67 116.89 2vvn s ASP 168 Ca 0.34 0.91 0.27 0.00 0.43 0.00 0.00 52.55 54.50 2vvn s ASP 168 Cb 0.19 -2.54 1.47 0.00 -0.30 0.00 0.00 42.92 41.73 2vvn s ASP 168 CO 0.27 -1.00 2.09 1.55 -0.17 0.00 0.00 175.17 177.90 2vvn h PRO 169 N 8.53 0.00 -0.01 4.34 0.13 -1.88 -1.77 132.00 141.34 2vvn h PRO 169 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2vvn h PRO 169 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2vvn h PRO 169 CO 1.06 0.11 -0.02 0.66 -0.23 0.00 0.00 178.00 179.58 2vvn n TYR 170 N -3.68 0.00 -0.12 1.56 4.01 -1.26 -3.05 117.16 114.62 2vvn n TYR 170 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 2vvn n TYR 170 Cb 0.22 -0.03 -0.11 0.00 -0.31 0.00 0.00 39.34 39.12 2vvn n TYR 170 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 2vvn n HIS 171 N -0.54 0.00 -3.09 -0.72 -0.00 -0.72 -4.23 115.22 105.93 2vvn n HIS 171 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.92 2vvn n HIS 171 Cb 0.23 -0.91 0.00 0.00 -0.00 0.00 0.00 29.99 29.31 2vvn n HIS 171 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2vvn n SER 172 N -3.28 1.72 -4.84 0.26 2.88 -0.90 -0.64 113.62 108.82 2vvn n SER 172 Ca -0.43 -0.23 -0.35 0.00 -1.33 0.00 0.00 58.87 56.53 2vvn n SER 172 Cb 0.94 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.34 2vvn n SER 172 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2vvn s ALA 173 N -2.00 3.55 -0.82 -1.46 0.00 -1.25 -1.23 121.76 118.56 2vvn s ALA 173 Ca 0.00 -0.08 0.24 0.00 0.00 0.00 0.00 51.96 52.12 2vvn s ALA 173 Cb 0.00 -2.57 0.22 0.00 0.00 0.00 0.00 23.12 20.76 2vvn s ALA 173 CO 0.00 0.43 1.19 -0.35 0.00 0.00 0.00 175.76 177.03 2vvn n PRO 174 N 0.78 0.14 -0.03 0.00 -0.04 -1.26 -4.90 135.00 129.69 2vvn n PRO 174 Ca -0.05 0.01 0.01 0.00 -0.04 0.00 0.00 63.50 63.43 2vvn n PRO 174 Cb 0.52 -1.56 0.03 0.00 -0.04 0.00 0.00 33.50 32.45 2vvn n PRO 174 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2vvn n ASN 175 N -1.74 0.37 0.25 3.54 3.02 -1.17 -3.45 115.26 116.07 2vvn n ASN 175 Ca 0.04 -2.00 0.16 0.00 -0.03 0.00 0.00 54.58 52.75 2vvn n ASN 175 Cb 0.38 -0.06 0.88 0.00 -0.61 0.00 0.00 39.78 40.37 2vvn n ASN 175 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 2vvn h TRP 176 N 0.35 0.00 0.00 3.10 5.08 -1.08 -0.43 115.95 122.96 2vvn h TRP 176 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 2vvn h TRP 176 Cb 0.10 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.26 2vvn h TRP 176 CO 0.04 0.00 -0.06 0.00 -1.28 0.00 0.00 178.44 177.14 2vvn h ARG 177 N 0.00 0.00 -5.86 0.12 3.08 -1.86 -3.46 114.38 106.40 2vvn h ARG 177 Ca 0.04 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.46 2vvn h ARG 177 Cb 0.25 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 2vvn h ARG 177 CO -0.00 0.06 -0.32 -0.51 -1.07 0.00 0.00 179.97 178.14 2vvn s LEU 178 N -6.36 4.44 0.71 3.04 1.43 -0.17 -4.84 118.68 116.93 2vvn s LEU 178 Ca 0.01 0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 53.73 2vvn s LEU 178 Cb 0.09 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.96 2vvn s LEU 178 CO 0.58 0.36 1.17 -2.84 0.23 0.00 0.00 176.35 175.85 2vvn s PRO 179 N -1.07 2.32 0.37 1.29 0.02 -1.26 -4.94 135.00 131.74 2vvn s PRO 179 Ca 0.20 1.64 -0.28 0.00 0.02 0.00 0.00 61.00 62.58 2vvn s PRO 179 Cb -0.15 -1.87 -0.11 0.00 0.02 0.00 0.00 34.50 32.39 2vvn s PRO 179 CO 0.10 -1.67 1.46 0.66 -0.33 0.00 0.00 177.00 177.22 2vvn n TYR 180 N -2.65 2.91 -0.69 6.54 4.01 -1.26 -4.98 117.16 121.02 2vvn n TYR 180 Ca 0.12 0.46 -0.31 0.00 -0.16 0.00 0.00 57.90 58.01 2vvn n TYR 180 Cb 0.51 -2.52 0.16 0.00 -0.31 0.00 0.00 39.34 37.18 2vvn n TYR 180 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2vvn n PRO 181 N 0.44 -0.44 -0.16 -0.72 -0.02 -1.26 -4.58 135.00 128.26 2vvn n PRO 181 Ca 0.02 -0.07 -0.02 0.00 -2.02 0.00 0.00 63.50 61.41 2vvn n PRO 181 Cb 0.39 -2.28 0.06 0.00 -0.02 0.00 0.00 33.50 31.64 2vvn n PRO 181 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2vvn h ASP 182 N -1.85 -0.27 0.01 2.55 3.32 -1.98 0.53 116.42 118.73 2vvn h ASP 182 Ca -0.43 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 2vvn h ASP 182 Cb 1.27 0.23 0.00 0.00 0.22 0.00 0.00 39.33 41.06 2vvn h ASP 182 CO 0.40 -0.09 -0.00 0.50 -1.72 0.00 0.00 179.24 178.32 2vvn h LYS 183 N 0.09 -0.01 -0.40 3.56 3.64 -2.00 -0.79 116.57 120.66 2vvn h LYS 183 Ca 0.25 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2vvn h LYS 183 Cb 0.39 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2vvn h LYS 183 CO -0.44 0.03 0.10 0.93 -2.27 0.00 0.00 179.45 177.80 2vvn h GLU 184 N -0.05 0.59 -0.25 1.90 3.07 -1.79 -2.18 114.58 115.87 2vvn h GLU 184 Ca -0.00 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 58.72 2vvn h GLU 184 Cb 0.05 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 2vvn h GLU 184 CO 0.00 0.54 -0.00 0.00 -1.40 0.00 0.00 179.01 178.15 2vvn h ALA 185 N 1.54 0.33 -0.66 3.43 0.00 -0.63 -1.55 119.26 121.73 2vvn h ALA 185 Ca 0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2vvn h ALA 185 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2vvn h ALA 185 CO -0.00 0.07 0.27 0.00 0.00 0.00 0.00 179.25 179.58 2vvn h ALA 186 N 0.81 1.23 0.18 0.00 0.00 -1.00 -1.07 119.26 119.40 2vvn h ALA 186 Ca 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2vvn h ALA 186 Cb 0.42 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2vvn h ALA 186 CO 0.01 0.57 -0.08 1.96 0.00 0.00 0.00 179.25 181.71 2vvn h GLN 187 N 0.95 -0.23 -0.94 0.00 4.20 -1.34 -1.81 115.11 115.95 2vvn h GLN 187 Ca 0.22 0.02 0.13 0.00 0.06 0.00 0.00 58.65 59.08 2vvn h GLN 187 Cb 0.17 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 27.92 2vvn h GLN 187 CO -0.02 -0.09 0.56 -0.07 -0.67 0.00 0.00 178.83 178.55 2vvn h LEU 188 N -0.32 0.79 -0.77 1.46 3.38 -1.09 0.90 115.31 119.66 2vvn h LEU 188 Ca -0.02 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2vvn h LEU 188 Cb 0.25 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2vvn h LEU 188 CO 0.04 0.40 0.37 -0.61 0.09 0.00 0.00 178.44 178.74 2vvn h GLN 189 N 0.87 1.10 -0.46 1.13 4.15 -1.12 -0.42 115.11 120.36 2vvn h GLN 189 Ca 0.48 -0.16 -0.10 0.00 0.77 0.00 0.00 58.65 59.64 2vvn h GLN 189 Cb 0.53 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2vvn h GLN 189 CO -0.29 0.85 -0.10 1.49 -1.93 0.00 0.00 178.83 178.85 2vvn h GLU 190 N 1.08 0.88 -0.93 1.69 4.81 -0.41 -2.03 114.58 119.67 2vvn h GLU 190 Ca 0.26 -0.33 0.12 0.00 -0.13 0.00 0.00 59.36 59.28 2vvn h GLU 190 Cb 0.11 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 2vvn h GLU 190 CO -0.03 0.97 0.59 -0.07 -0.73 0.00 0.00 179.01 179.74 2vvn h LEU 191 N 0.72 0.79 -0.19 1.64 3.38 -0.21 -1.18 115.31 120.26 2vvn h LEU 191 Ca 0.12 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2vvn h LEU 191 Cb 0.64 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2vvn h LEU 191 CO 0.04 0.42 -0.10 0.58 0.09 0.00 0.00 178.44 179.48 2vvn h VAL 192 N 0.85 1.31 -0.29 1.22 2.07 -0.92 -0.69 116.25 119.80 2vvn h VAL 192 Ca 0.45 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.82 2vvn h VAL 192 Cb 0.55 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2vvn h VAL 192 CO -0.22 0.35 0.15 0.00 0.02 0.00 0.00 177.57 177.88 2vvn h ALA 193 N 0.68 0.35 -0.36 1.67 0.00 -0.86 0.21 119.26 120.95 2vvn h ALA 193 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2vvn h ALA 193 Cb 0.59 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2vvn h ALA 193 CO 0.03 -0.23 0.23 0.28 0.00 0.00 0.00 179.25 179.56 2vvn h VAL 194 N 0.32 1.10 -0.56 0.00 2.07 -1.25 -1.36 116.25 116.58 2vvn h VAL 194 Ca 0.12 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.49 2vvn h VAL 194 Cb 0.02 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 2vvn h VAL 194 CO -0.07 0.10 0.23 0.00 0.02 0.00 0.00 177.57 177.85 2vvn h ALA 195 N 1.11 0.71 -0.78 1.67 0.00 -0.81 -2.52 119.26 118.65 2vvn h ALA 195 Ca 0.13 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2vvn h ALA 195 Cb -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2vvn h ALA 195 CO -0.03 -0.16 0.35 -0.91 0.00 0.00 0.00 179.25 178.51 2vvn h ASN 196 N 0.43 1.04 0.35 0.00 2.35 -0.52 0.02 115.58 119.25 2vvn h ASN 196 Ca 0.27 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2vvn h ASN 196 Cb 0.27 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2vvn h ASN 196 CO -0.25 0.90 -0.09 -0.33 -1.65 0.00 0.00 177.43 176.01 2vvn h GLU 197 N 1.11 0.00 -0.47 0.81 5.08 -0.94 -2.52 114.58 117.65 2vvn h GLU 197 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2vvn h GLU 197 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2vvn h GLU 197 CO -0.03 0.09 0.00 0.09 -1.00 0.00 0.00 179.01 178.16 2vvn n ASN 198 N -3.58 3.40 -1.92 1.42 3.02 -0.81 -4.89 115.26 111.89 2vvn n ASN 198 Ca -0.02 -1.96 -0.16 0.00 -0.03 0.00 0.00 54.58 52.42 2vvn n ASN 198 Cb 0.21 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2vvn n ASN 198 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2vvn n GLU 199 N 1.26 -1.86 -4.17 3.52 -0.58 -0.76 -4.18 120.64 113.86 2vvn n GLU 199 Ca 0.18 0.74 -0.34 0.00 -0.42 0.00 0.00 57.16 57.32 2vvn n GLU 199 Cb 0.55 -5.12 -0.10 0.00 -0.57 0.00 0.00 31.44 26.19 2vvn n GLU 199 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2vvn s VAL 200 N -2.84 4.46 -0.29 2.62 1.01 -0.08 -4.67 120.40 120.60 2vvn s VAL 200 Ca 0.06 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 2vvn s VAL 200 Cb -0.03 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 2vvn s VAL 200 CO 0.07 0.49 1.41 -1.81 0.00 0.00 0.00 175.10 175.26 2vvn s ASP 201 N 0.21 6.53 -0.41 3.32 1.01 0.72 -4.01 116.67 124.04 2vvn s ASP 201 Ca 0.02 1.27 -0.29 0.00 0.71 0.00 0.00 52.55 54.26 2vvn s ASP 201 Cb -0.13 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.29 2vvn s ASP 201 CO 0.01 -1.19 1.14 0.12 0.21 0.00 0.00 175.17 175.46 2vvn s PHE 202 N 4.80 2.91 -0.40 4.23 5.36 -1.26 -1.30 117.98 132.32 2vvn s PHE 202 Ca 0.62 0.89 -0.12 0.00 -0.96 0.00 0.00 56.93 57.35 2vvn s PHE 202 Cb -0.19 -4.15 0.04 0.00 -0.34 0.00 0.00 43.02 38.38 2vvn s PHE 202 CO 0.26 -1.15 0.26 0.08 -1.46 0.00 0.00 175.22 173.21 2vvn s VAL 203 N 4.22 4.79 -0.33 3.12 1.01 0.11 -3.60 120.40 129.72 2vvn s VAL 203 Ca 0.48 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 2vvn s VAL 203 Cb -0.10 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2vvn s VAL 203 CO 0.26 -0.33 0.61 0.86 0.00 0.00 0.00 175.10 176.50 2vvn s TRP 204 N 1.58 3.19 0.32 5.22 -0.00 -0.77 -0.62 118.94 127.86 2vvn s TRP 204 Ca 0.03 0.45 -0.04 0.00 -0.00 0.00 0.00 56.10 56.53 2vvn s TRP 204 Cb -0.20 -3.01 -0.05 0.00 -0.00 0.00 0.00 33.47 30.21 2vvn s TRP 204 CO 0.07 -0.52 0.58 0.00 -0.00 0.00 0.00 176.95 177.08 2vvn s ALA 205 N 2.59 3.61 0.07 5.86 0.00 -0.37 -1.49 121.76 132.03 2vvn s ALA 205 Ca 0.24 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.64 2vvn s ALA 205 Cb -0.15 -2.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 2vvn s ALA 205 CO 0.13 0.14 -0.12 -1.50 0.00 0.00 0.00 175.76 174.42 2vvn s ILE 206 N -2.18 0.91 -0.44 0.00 2.07 -0.44 -4.80 121.20 116.32 2vvn s ILE 206 Ca 0.44 -1.28 0.06 0.00 -1.41 0.00 0.00 60.65 58.45 2vvn s ILE 206 Cb -0.10 -0.97 0.20 0.00 0.13 0.00 0.00 42.46 41.72 2vvn s ILE 206 CO 0.32 -0.32 0.44 1.57 -1.91 0.00 0.00 174.94 175.04 2vvn n HIS 207 N 1.23 -0.18 1.08 3.50 -0.00 0.19 -0.08 115.22 120.97 2vvn n HIS 207 Ca -0.21 -3.51 0.12 0.00 -0.00 0.00 0.00 57.72 54.11 2vvn n HIS 207 Cb 0.55 -0.06 0.12 0.00 -0.00 0.00 0.00 29.99 30.60 2vvn n HIS 207 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2vvn n PRO 208 N 2.18 1.10 0.22 1.57 -0.04 -1.26 -3.81 135.00 134.96 2vvn n PRO 208 Ca 0.26 -0.84 0.08 0.00 -0.04 0.00 0.00 63.50 62.95 2vvn n PRO 208 Cb 0.48 -1.48 0.52 0.00 -0.04 0.00 0.00 33.50 32.98 2vvn n PRO 208 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2vvn h GLY 209 N 4.87 0.00 1.87 0.55 0.00 -1.92 -2.18 103.07 106.26 2vvn h GLY 209 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2vvn h GLY 209 CO 0.00 0.00 -0.19 -1.61 0.00 0.00 0.00 176.54 174.74 2vvn h GLN 210 N 0.00 0.16 0.00 4.80 5.75 -1.85 -3.32 115.11 120.65 2vvn h GLN 210 Ca -0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2vvn h GLN 210 Cb 0.54 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.07 2vvn h GLN 210 CO 0.03 0.35 -0.09 -0.40 -2.65 0.00 0.00 178.83 176.08 2vvn n ASP 211 N -4.25 0.71 -4.75 -0.69 5.75 -1.17 -4.89 116.55 107.27 2vvn n ASP 211 Ca -0.01 -1.61 -0.41 0.00 -0.01 0.00 0.00 54.79 52.74 2vvn n ASP 211 Cb 0.29 -0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.29 2vvn n ASP 211 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 2vvn s ILE 212 N -0.51 2.32 -0.11 2.12 2.07 -0.83 -5.02 121.20 121.24 2vvn s ILE 212 Ca 0.03 0.28 -0.10 0.00 -1.41 0.00 0.00 60.65 59.45 2vvn s ILE 212 Cb 0.03 -3.18 -0.05 0.00 0.13 0.00 0.00 42.46 39.39 2vvn s ILE 212 CO 0.00 0.05 0.21 -0.54 -1.91 0.00 0.00 174.94 172.75 2vvn s LYS 213 N -0.51 3.73 -1.53 3.50 3.01 -1.26 -4.60 119.74 122.08 2vvn s LYS 213 Ca 0.61 -0.00 -0.11 0.00 -1.01 0.00 0.00 55.97 55.46 2vvn s LYS 213 Cb -0.45 -3.25 -0.02 0.00 -1.01 0.00 0.00 37.83 33.10 2vvn s LYS 213 CO 0.46 0.64 2.62 0.91 0.51 0.00 0.00 175.35 180.49 2vvn n TRP 214 N 2.33 2.82 -4.37 3.18 7.02 -1.26 -4.62 117.44 122.54 2vvn n TRP 214 Ca -0.17 -3.02 -0.19 0.00 -1.02 0.00 0.00 57.50 53.09 2vvn n TRP 214 Cb 0.54 -2.43 -0.09 0.00 -2.42 0.00 0.00 31.31 26.90 2vvn n TRP 214 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2vvn s ASN 215 N 2.26 1.71 0.21 -0.99 2.20 -1.26 -5.08 114.94 114.00 2vvn s ASN 215 Ca 0.60 -1.52 -0.07 0.00 -0.94 0.00 0.00 52.86 50.93 2vvn s ASN 215 Cb 0.16 0.30 0.17 0.00 -2.00 0.00 0.00 41.25 39.89 2vvn s ASN 215 CO -0.07 -0.83 1.74 0.11 -2.94 0.00 0.00 177.10 175.11 2vvn h LYS 216 N 2.18 1.10 -0.36 3.55 1.57 -2.00 -2.98 116.57 119.64 2vvn h LYS 216 Ca -0.36 -0.25 0.06 0.00 -1.87 0.00 0.00 60.65 58.23 2vvn h LYS 216 Cb 1.25 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.36 2vvn h LYS 216 CO 0.56 0.96 0.05 1.49 -0.57 0.00 0.00 179.45 181.94 2vvn h GLU 217 N 1.05 0.16 -0.05 3.15 4.81 -1.98 -0.59 114.58 121.13 2vvn h GLU 217 Ca 0.22 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.23 2vvn h GLU 217 Cb 0.34 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2vvn h GLU 217 CO -0.00 0.10 -0.84 -0.44 -0.73 0.00 0.00 179.01 177.11 2vvn h ASP 218 N 0.16 0.58 -0.07 1.04 3.32 -1.81 -1.59 116.42 118.04 2vvn h ASP 218 Ca 0.18 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.82 2vvn h ASP 218 Cb 0.22 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2vvn h ASP 218 CO -0.25 1.19 0.02 -0.09 -1.72 0.00 0.00 179.24 178.39 2vvn h ARG 219 N 0.29 0.06 -0.81 3.56 2.43 -1.34 0.10 114.38 118.68 2vvn h ARG 219 Ca -0.06 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 2vvn h ARG 219 Cb 1.45 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.95 2vvn h ARG 219 CO 0.15 0.04 0.36 -0.44 -1.51 0.00 0.00 179.97 178.57 2vvn h ASP 220 N 0.06 1.07 -0.76 -3.80 3.32 -1.10 -0.62 116.42 114.59 2vvn h ASP 220 Ca 0.03 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 2vvn h ASP 220 Cb 0.01 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 2vvn h ASP 220 CO -0.03 0.92 0.25 -0.07 -1.72 0.00 0.00 179.24 178.59 2vvn h LEU 221 N 1.16 1.10 -0.11 1.55 4.07 -1.00 0.52 115.31 122.60 2vvn h LEU 221 Ca 0.27 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 2vvn h LEU 221 Cb 0.15 -0.29 -0.00 0.00 1.08 0.00 0.00 40.66 41.60 2vvn h LEU 221 CO -0.03 1.01 0.03 0.25 -1.08 0.00 0.00 178.44 178.62 2vvn h LEU 222 N 1.13 0.16 -0.94 1.67 6.46 -0.39 -1.40 115.31 122.00 2vvn h LEU 222 Ca 0.25 -0.21 -0.06 0.00 -0.12 0.00 0.00 57.88 57.74 2vvn h LEU 222 Cb 0.29 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 2vvn h LEU 222 CO -0.01 0.33 0.12 -0.07 -0.62 0.00 0.00 178.44 178.19 2vvn h LEU 223 N -0.01 0.84 -1.12 2.25 -0.00 -0.79 -1.54 115.31 114.94 2vvn h LEU 223 Ca 0.04 -0.17 0.02 0.00 -0.00 0.00 0.00 57.88 57.77 2vvn h LEU 223 Cb 0.23 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 40.62 2vvn h LEU 223 CO -0.00 0.83 0.60 0.00 -0.00 0.00 0.00 178.44 179.87 2vvn h ALA 224 N 1.27 1.38 -0.10 1.53 0.00 0.16 0.19 119.26 123.69 2vvn h ALA 224 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2vvn h ALA 224 Cb 0.34 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2vvn h ALA 224 CO 0.00 0.57 0.02 -0.22 0.00 0.00 0.00 179.25 179.62 2vvn h LYS 225 N 1.20 0.16 -0.73 0.00 1.63 -0.72 -1.12 116.57 117.00 2vvn h LYS 225 Ca 0.34 -0.04 0.09 0.00 -0.85 0.00 0.00 60.65 60.19 2vvn h LYS 225 Cb -0.10 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 31.44 2vvn h LYS 225 CO -0.08 0.34 0.37 0.74 -3.45 0.00 0.00 179.45 177.37 2vvn h PHE 226 N -0.05 0.67 -0.41 1.91 -1.00 -1.05 -0.70 116.94 116.31 2vvn h PHE 226 Ca 0.03 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.88 2vvn h PHE 226 Cb 0.25 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.58 2vvn h PHE 226 CO 0.01 0.25 0.18 1.49 -1.61 0.00 0.00 178.31 178.63 2vvn h GLU 227 N 0.63 0.36 -0.64 1.51 4.57 -0.69 0.19 114.58 120.51 2vvn h GLU 227 Ca 0.35 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.56 2vvn h GLU 227 Cb 0.36 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.82 2vvn h GLU 227 CO -0.26 0.24 0.36 0.87 -1.18 0.00 0.00 179.01 179.03 2vvn h LYS 228 N 0.37 0.65 -0.40 1.92 1.79 -0.43 -1.41 116.57 119.05 2vvn h LYS 228 Ca 0.18 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.54 2vvn h LYS 228 Cb 0.12 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 2vvn h LYS 228 CO -0.15 0.43 -0.07 0.52 -1.08 0.00 0.00 179.45 179.10 2vvn h MET 229 N 0.67 0.68 -0.93 3.15 2.86 -0.53 -2.05 114.93 118.78 2vvn h MET 229 Ca 0.28 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2vvn h MET 229 Cb 0.14 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 2vvn h MET 229 CO -0.16 0.74 0.57 -0.92 1.06 0.00 0.00 176.91 178.20 2vvn h TYR 230 N 0.63 1.22 0.00 -0.22 3.20 -0.13 -1.53 116.97 120.13 2vvn h TYR 230 Ca 0.12 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 2vvn h TYR 230 Cb 0.49 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2vvn h TYR 230 CO 0.02 0.80 -0.21 1.96 -1.64 0.00 0.00 178.16 179.10 2vvn h GLN 231 N 1.28 0.00 0.00 1.82 4.20 -0.57 0.14 115.11 121.98 2vvn h GLN 231 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 2vvn h GLN 231 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2vvn h GLN 231 CO -0.06 0.21 0.00 1.28 -0.67 0.00 0.00 178.83 179.58 2vvn n LEU 232 N -4.07 0.00 0.00 1.46 4.77 -0.94 -4.92 117.00 113.30 2vvn n LEU 232 Ca -0.02 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2vvn n LEU 232 Cb 0.28 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2vvn n LEU 232 CO 0.35 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2vvn n GLY 233 N 1.14 0.78 3.75 -0.72 0.00 0.04 -4.42 105.19 105.75 2vvn n GLY 233 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2vvn n GLY 233 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vvn s VAL 234 N -2.00 2.74 0.00 1.61 1.01 -0.62 -4.93 120.40 118.21 2vvn s VAL 234 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2vvn s VAL 234 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2vvn s VAL 234 CO 0.00 0.11 0.25 0.54 0.00 0.00 0.00 175.10 176.00 2vvn n ARG 235 N 2.00 -0.29 -4.19 2.72 5.12 -1.26 -4.22 116.66 116.55 2vvn n ARG 235 Ca 0.05 -0.26 -0.19 0.00 -1.93 0.00 0.00 57.85 55.52 2vvn n ARG 235 Cb 0.41 -0.71 -0.12 0.00 -1.16 0.00 0.00 32.46 30.88 2vvn n ARG 235 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2vvn s SER 236 N -0.03 1.80 -0.00 0.55 0.01 -1.24 -0.12 113.70 114.66 2vvn s SER 236 Ca 0.00 -0.63 -0.06 0.00 1.31 0.00 0.00 55.95 56.58 2vvn s SER 236 Cb 0.00 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.17 2vvn s SER 236 CO 0.00 -0.06 0.11 -0.36 0.41 0.00 0.00 173.24 173.34 2vvn s PHE 237 N -1.27 0.05 0.03 2.43 0.08 -0.58 -1.85 117.98 116.87 2vvn s PHE 237 Ca -0.01 -0.12 0.01 0.00 0.12 0.00 0.00 56.93 56.93 2vvn s PHE 237 Cb -0.10 -0.06 -0.02 0.00 -0.57 0.00 0.00 43.02 42.27 2vvn s PHE 237 CO 0.03 -0.24 -0.05 0.00 -0.10 0.00 0.00 175.22 174.86 2vvn s ALA 238 N -1.16 0.29 -0.14 5.36 0.00 -0.55 -1.99 121.76 123.55 2vvn s ALA 238 Ca -0.13 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.17 2vvn s ALA 238 Cb -0.07 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2vvn s ALA 238 CO 0.01 -0.12 -0.15 0.08 0.00 0.00 0.00 175.76 175.57 2vvn s VAL 239 N -1.55 1.64 -0.20 0.00 1.01 -0.42 -1.33 120.40 119.55 2vvn s VAL 239 Ca -0.13 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 2vvn s VAL 239 Cb -0.09 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2vvn s VAL 239 CO -0.01 0.47 0.06 -0.36 0.00 0.00 0.00 175.10 175.26 2vvn s PHE 240 N 1.32 3.19 -0.29 5.22 0.08 0.89 -2.34 117.98 126.05 2vvn s PHE 240 Ca 0.02 -0.08 0.08 0.00 0.12 0.00 0.00 56.93 57.07 2vvn s PHE 240 Cb -0.13 -2.13 0.46 0.00 -0.57 0.00 0.00 43.02 40.65 2vvn s PHE 240 CO -0.09 -0.01 1.31 1.19 -0.10 0.00 0.00 175.22 177.53 2vvn n PHE 241 N 3.97 1.46 -3.28 0.36 3.72 -0.76 -4.09 117.46 118.84 2vvn n PHE 241 Ca -0.16 -1.89 -0.35 0.00 -0.05 0.00 0.00 57.45 55.00 2vvn n PHE 241 Cb 0.52 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.59 2vvn n PHE 241 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2vvn s ASP 242 N -3.14 6.88 -1.09 4.37 -4.77 -1.25 -3.09 116.67 114.57 2vvn s ASP 242 Ca 0.46 1.17 -0.04 0.00 -3.30 0.00 0.00 52.55 50.84 2vvn s ASP 242 Cb 0.40 -2.33 0.00 0.00 -1.09 0.00 0.00 42.92 39.91 2vvn s ASP 242 CO -0.01 0.07 0.94 0.47 0.70 0.00 0.00 175.17 177.33 2vvn n ASP 243 N 0.72 -3.93 -4.36 2.11 8.00 -1.26 -5.02 116.55 112.80 2vvn n ASP 243 Ca -0.04 -0.49 -0.18 0.00 0.71 0.00 0.00 54.79 54.78 2vvn n ASP 243 Cb 0.52 -4.41 -0.10 0.00 -0.02 0.00 0.00 41.12 37.10 2vvn n ASP 243 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2vvn s ILE 244 N -3.29 1.18 0.26 0.53 -4.36 -1.26 -5.01 121.20 109.25 2vvn s ILE 244 Ca 0.26 -2.05 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 2vvn s ILE 244 Cb -0.11 -2.41 -0.05 0.00 1.25 0.00 0.00 42.46 41.13 2vvn s ILE 244 CO 0.62 -0.28 0.08 -0.94 0.24 0.00 0.00 174.94 174.66 2vvn s SER 245 N -3.35 1.44 0.00 4.36 1.04 -1.26 -4.93 113.70 110.99 2vvn s SER 245 Ca 0.30 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.36 2vvn s SER 245 Cb 0.06 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2vvn s SER 245 CO 0.10 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2vvn n GLY 246 N -0.49 -1.74 0.39 7.32 0.00 -1.26 -4.47 105.19 104.95 2vvn n GLY 246 Ca -0.01 -1.56 0.17 0.00 0.00 0.00 0.00 46.02 44.62 2vvn n GLY 246 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2vvn h GLU 247 N 0.00 0.51 0.00 1.61 4.39 -1.91 -0.70 114.58 118.48 2vvn h GLU 247 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2vvn h GLU 247 Cb 0.00 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2vvn h GLU 247 CO 0.00 0.34 0.08 0.41 -1.16 0.00 0.00 179.01 178.68 2vvn n GLY 248 N -1.46 -0.79 0.22 -3.84 0.00 -1.25 -1.76 105.19 96.31 2vvn n GLY 248 Ca 0.21 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.51 2vvn n GLY 248 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vvn n THR 249 N -2.19 0.08 -2.13 2.61 -2.24 -0.27 -4.87 114.28 105.26 2vvn n THR 249 Ca -0.01 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.20 2vvn n THR 249 Cb 0.11 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 2vvn n THR 249 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2vvn s ASN 250 N -1.62 6.29 0.27 3.42 3.84 -0.72 -4.91 114.94 121.50 2vvn s ASN 250 Ca 0.31 1.44 -0.01 0.00 0.21 0.00 0.00 52.86 54.82 2vvn s ASN 250 Cb 0.15 -2.53 0.36 0.00 -0.55 0.00 0.00 41.25 38.68 2vvn s ASN 250 CO 0.25 -1.36 1.76 1.55 -2.79 0.00 0.00 177.10 176.50 2vvn h PRO 251 N 11.11 0.73 -0.52 0.43 0.13 -1.90 -1.05 132.00 140.93 2vvn h PRO 251 Ca -0.33 -0.20 -0.11 0.00 -0.87 0.00 0.00 66.00 64.49 2vvn h PRO 251 Cb 1.15 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2vvn h PRO 251 CO 1.02 0.77 -0.09 0.37 -0.23 0.00 0.00 178.00 179.83 2vvn h GLN 252 N 0.68 0.98 -0.17 0.86 5.75 -1.91 -1.88 115.11 119.41 2vvn h GLN 252 Ca 0.13 -0.36 -0.19 0.00 -0.15 0.00 0.00 58.65 58.08 2vvn h GLN 252 Cb 0.47 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.96 2vvn h GLN 252 CO 0.02 1.04 -0.67 0.87 -2.65 0.00 0.00 178.83 177.44 2vvn h LYS 253 N 0.85 0.67 0.08 1.69 1.79 -1.92 -2.21 116.57 117.52 2vvn h LYS 253 Ca 0.14 -0.49 0.01 0.00 -2.18 0.00 0.00 60.65 58.13 2vvn h LYS 253 Cb 0.65 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 2vvn h LYS 253 CO 0.05 1.11 -0.17 1.96 -1.08 0.00 0.00 179.45 181.32 2vvn h GLN 254 N 0.49 -0.31 -0.81 3.15 4.20 -1.14 -1.32 115.11 119.37 2vvn h GLN 254 Ca -0.02 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2vvn h GLN 254 Cb 1.26 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.07 2vvn h GLN 254 CO 0.13 -0.20 0.50 0.00 -0.67 0.00 0.00 178.83 178.59 2vvn h ALA 255 N 0.54 1.03 -0.75 3.87 0.00 -1.30 -0.72 119.26 121.94 2vvn h ALA 255 Ca 0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2vvn h ALA 255 Cb 0.34 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2vvn h ALA 255 CO -0.10 0.49 0.32 0.93 0.00 0.00 0.00 179.25 180.88 2vvn h GLU 256 N 1.11 1.10 0.03 0.00 5.08 -1.32 0.16 114.58 120.75 2vvn h GLU 256 Ca 0.29 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2vvn h GLU 256 Cb -0.06 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.01 2vvn h GLU 256 CO -0.06 0.89 -0.01 1.25 -1.00 0.00 0.00 179.01 180.08 2vvn h LEU 257 N 1.07 -0.03 -1.24 1.33 5.85 -0.90 -0.70 115.31 120.68 2vvn h LEU 257 Ca 0.25 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2vvn h LEU 257 Cb 0.18 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 2vvn h LEU 257 CO -0.02 0.21 0.53 -0.07 -0.34 0.00 0.00 178.44 178.74 2vvn h LEU 258 N -0.27 0.84 -0.57 2.25 -0.00 -0.93 -0.33 115.31 116.30 2vvn h LEU 258 Ca -0.00 -0.01 -0.15 0.00 -0.00 0.00 0.00 57.88 57.72 2vvn h LEU 258 Cb 0.25 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 2vvn h LEU 258 CO 0.01 0.58 -0.50 0.78 -0.00 0.00 0.00 178.44 179.30 2vvn h ASN 259 N 0.98 0.61 0.01 -0.43 2.35 -0.55 0.49 115.58 119.05 2vvn h ASN 259 Ca 0.32 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2vvn h ASN 259 Cb 0.06 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2vvn h ASN 259 CO -0.10 1.01 -0.01 0.22 -1.65 0.00 0.00 177.43 176.91 2vvn h TYR 260 N 0.44 -0.01 -0.60 1.19 3.20 -0.60 0.44 116.97 121.03 2vvn h TYR 260 Ca 0.02 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.96 2vvn h TYR 260 Cb 1.03 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.24 2vvn h TYR 260 CO 0.04 0.13 0.28 0.82 -1.64 0.00 0.00 178.16 177.79 2vvn h ILE 261 N -0.15 0.88 -0.10 1.81 2.04 -0.98 0.33 117.51 121.34 2vvn h ILE 261 Ca -0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2vvn h ILE 261 Cb 0.15 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2vvn h ILE 261 CO 0.00 0.09 0.06 -0.78 0.00 0.00 0.00 178.15 177.53 2vvn h ASP 262 N 0.52 0.10 0.33 1.72 3.58 -0.61 0.01 116.42 122.07 2vvn h ASP 262 Ca 0.28 -0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.40 2vvn h ASP 262 Cb 0.25 -0.02 0.02 0.00 1.72 0.00 0.00 39.33 41.31 2vvn h ASP 262 CO -0.22 0.08 -1.50 -0.33 -2.88 0.00 0.00 179.24 174.38 2vvn h GLU 263 N 0.13 0.45 -0.01 0.28 5.08 -0.30 0.21 114.58 120.42 2vvn h GLU 263 Ca 0.04 -0.77 0.00 0.00 -1.00 0.00 0.00 59.36 57.63 2vvn h GLU 263 Cb -0.01 0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2vvn h GLU 263 CO -0.02 1.36 -0.46 1.63 -1.00 0.00 0.00 179.01 180.53 2vvn n LYS 264 N -3.64 0.53 0.05 2.33 4.01 0.11 -4.40 118.16 117.14 2vvn n LYS 264 Ca -0.17 -0.35 0.00 0.00 -0.51 0.00 0.00 58.31 57.28 2vvn n LYS 264 Cb 1.08 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 34.11 2vvn n LYS 264 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2vvn n PHE 265 N -0.93 -0.81 -0.27 2.13 7.35 -0.66 -4.75 117.46 119.52 2vvn n PHE 265 Ca 0.09 0.14 -0.02 0.00 -0.76 0.00 0.00 57.45 56.90 2vvn n PHE 265 Cb 0.36 0.49 0.10 0.00 0.35 0.00 0.00 39.48 40.78 2vvn n PHE 265 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2vvn h ALA 266 N 0.00 1.02 -0.04 3.13 0.00 -0.78 -1.84 119.26 120.75 2vvn h ALA 266 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2vvn h ALA 266 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2vvn h ALA 266 CO 0.00 0.24 0.00 1.04 0.00 0.00 0.00 179.25 180.53 2vvn n GLN 267 N -4.65 1.48 -0.06 0.00 6.02 0.71 -3.99 117.38 116.89 2vvn n GLN 267 Ca 0.09 -0.71 -0.06 0.00 -0.01 0.00 0.00 57.00 56.32 2vvn n GLN 267 Cb 0.12 -1.45 -0.09 0.00 1.02 0.00 0.00 30.24 29.84 2vvn n GLN 267 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2vvn n VAL 268 N -0.12 0.79 -1.51 5.09 0.31 -0.76 -4.99 118.33 117.13 2vvn n VAL 268 Ca 0.19 -0.49 -0.32 0.00 -0.01 0.00 0.00 64.34 63.72 2vvn n VAL 268 Cb 0.27 -0.70 0.07 0.00 -0.91 0.00 0.00 33.84 32.57 2vvn n VAL 268 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2vvn s LYS 269 N -2.28 2.59 0.48 5.55 -0.14 -0.78 -4.96 119.74 120.20 2vvn s LYS 269 Ca -0.06 1.22 0.30 0.00 -1.36 0.00 0.00 55.97 56.07 2vvn s LYS 269 Cb 0.03 -1.94 1.11 0.00 -1.68 0.00 0.00 37.83 35.36 2vvn s LYS 269 CO 0.47 -1.39 1.87 -1.00 -0.76 0.00 0.00 175.35 174.54 2vvn h PRO 270 N -0.59 0.00 0.00 -1.68 0.13 -1.92 -3.40 132.00 124.53 2vvn h PRO 270 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 2vvn h PRO 270 Cb 1.23 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.18 2vvn h PRO 270 CO 0.53 0.00 -0.47 -0.40 -0.23 0.00 0.00 178.00 177.43 2vvn n ASP 271 N -2.95 -0.36 -4.78 1.44 5.75 -1.26 -5.11 116.55 109.28 2vvn n ASP 271 Ca 0.02 -1.92 -0.37 0.00 -0.01 0.00 0.00 54.79 52.51 2vvn n ASP 271 Cb 0.34 0.10 -0.05 0.00 -1.03 0.00 0.00 41.12 40.48 2vvn n ASP 271 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2vvn s ILE 272 N 0.00 3.95 0.00 2.12 1.01 -1.26 -4.90 121.20 122.12 2vvn s ILE 272 Ca 0.09 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.29 2vvn s ILE 272 Cb 0.10 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2vvn s ILE 272 CO -0.05 0.06 0.00 0.59 0.00 0.00 0.00 174.94 175.55 2vvn n ASN 273 N 0.24 0.00 -4.84 3.58 3.02 0.83 -5.03 115.26 113.06 2vvn n ASN 273 Ca 0.03 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.21 2vvn n ASN 273 Cb 0.50 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.59 2vvn n ASN 273 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2vvn s GLN 274 N -0.07 3.89 -0.13 3.52 -0.21 -1.26 -5.01 119.66 120.39 2vvn s GLN 274 Ca 0.00 0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.76 2vvn s GLN 274 Cb 0.00 -3.22 0.02 0.00 1.00 0.00 0.00 33.01 30.81 2vvn s GLN 274 CO 0.00 0.70 -0.11 -1.17 -2.12 0.00 0.00 175.29 172.58 2vvn s LEU 275 N -1.07 1.47 -0.01 2.90 2.96 -1.26 -1.53 118.68 122.15 2vvn s LEU 275 Ca 0.23 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 2vvn s LEU 275 Cb -0.16 -1.02 -0.01 0.00 0.50 0.00 0.00 46.19 45.50 2vvn s LEU 275 CO 0.13 -0.07 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.28 2vvn s VAL 276 N 1.51 0.93 0.15 1.68 1.01 -0.84 -1.22 120.40 123.61 2vvn s VAL 276 Ca 0.03 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.60 2vvn s VAL 276 Cb -0.13 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2vvn s VAL 276 CO -0.08 0.27 -0.17 0.00 0.00 0.00 0.00 175.10 175.11 2vvn s MET 277 N -0.21 1.19 -0.05 2.72 0.23 0.36 -1.30 119.30 122.23 2vvn s MET 277 Ca 0.03 -1.34 0.04 0.00 -1.03 0.00 0.00 55.69 53.40 2vvn s MET 277 Cb -0.05 -1.22 -0.02 0.00 -1.53 0.00 0.00 34.83 32.01 2vvn s MET 277 CO -0.00 0.25 -0.17 0.00 -2.03 0.00 0.00 175.02 173.07 2vvn s PRO 279 N -0.55 2.01 -0.03 0.00 0.04 -1.26 -1.83 135.00 133.38 2vvn s PRO 279 Ca 0.08 -0.27 -0.25 0.00 0.04 0.00 0.00 61.00 60.60 2vvn s PRO 279 Cb -0.11 -2.12 -0.21 0.00 0.04 0.00 0.00 34.50 32.10 2vvn s PRO 279 CO 0.01 -1.40 1.17 1.15 0.04 0.00 0.00 177.00 177.97 2vvn h THR 280 N -0.75 1.47 -1.56 1.26 2.02 -1.93 -3.35 112.91 110.07 2vvn h THR 280 Ca -0.44 -1.53 -0.59 0.00 0.77 0.00 0.00 66.41 64.62 2vvn h THR 280 Cb 1.31 2.40 -0.10 0.00 -1.74 0.00 0.00 68.15 70.01 2vvn h THR 280 CO 0.58 0.41 1.31 -1.61 0.37 0.00 0.00 175.52 176.58 2vvn s GLU 281 N -3.74 3.48 0.00 6.66 2.02 -1.26 -4.68 118.70 121.18 2vvn s GLU 281 Ca -0.16 -0.95 0.10 0.00 0.02 0.00 0.00 54.97 53.98 2vvn s GLU 281 Cb 0.02 -5.01 0.22 0.00 0.10 0.00 0.00 34.13 29.46 2vvn s GLU 281 CO 0.71 -2.15 1.09 2.48 0.02 0.00 0.00 175.26 177.42 2vvn n TYR 282 N 8.77 0.28 -3.63 1.61 0.18 -1.26 -4.93 117.16 118.19 2vvn n TYR 282 Ca 0.24 -0.31 -0.10 0.00 1.88 0.00 0.00 57.90 59.60 2vvn n TYR 282 Cb 0.50 -0.02 -0.03 0.00 -0.38 0.00 0.00 39.34 39.41 2vvn n TYR 282 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2vvn s ASN 283 N -0.96 -0.33 0.24 9.48 2.20 -1.26 0.41 114.94 124.72 2vvn s ASN 283 Ca 0.19 -0.31 -0.04 0.00 -0.94 0.00 0.00 52.86 51.76 2vvn s ASN 283 Cb 0.11 0.56 0.27 0.00 -2.00 0.00 0.00 41.25 40.18 2vvn s ASN 283 CO 0.15 -0.98 1.75 0.50 -2.94 0.00 0.00 177.10 175.58 2vvn h LYS 284 N 2.19 0.92 -0.10 3.55 3.64 -0.54 -3.16 116.57 123.07 2vvn h LYS 284 Ca -0.31 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 58.79 2vvn h LYS 284 Cb 1.27 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 2vvn h LYS 284 CO 0.40 0.86 -0.14 0.66 -2.27 0.00 0.00 179.45 178.96 2vvn h SER 285 N 0.87 0.14 -0.46 4.20 4.64 -1.34 -2.11 113.55 119.48 2vvn h SER 285 Ca 0.18 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2vvn h SER 285 Cb 0.40 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2vvn h SER 285 CO 0.01 0.30 0.00 0.79 -0.87 0.00 0.00 176.83 177.06 2vvn n TRP 286 N -4.30 1.56 -4.64 4.77 7.02 -1.20 -4.89 117.44 115.76 2vvn n TRP 286 Ca -0.01 -0.55 -0.33 0.00 -1.02 0.00 0.00 57.50 55.59 2vvn n TRP 286 Cb 0.25 -0.39 -0.11 0.00 -2.42 0.00 0.00 31.31 28.64 2vvn n TRP 286 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2vvn s SER 287 N -0.64 4.47 -0.49 -0.99 0.01 -0.79 -4.56 113.70 110.70 2vvn s SER 287 Ca 0.42 -0.11 -0.20 0.00 1.31 0.00 0.00 55.95 57.37 2vvn s SER 287 Cb 0.31 -1.05 0.04 0.00 0.21 0.00 0.00 66.02 65.54 2vvn s SER 287 CO 0.14 0.33 0.67 0.21 0.41 0.00 0.00 173.24 175.00 2vvn s ASN 288 N -1.00 6.27 0.61 2.44 3.84 -1.26 -4.90 114.94 120.94 2vvn s ASN 288 Ca 0.14 -0.67 0.29 0.00 0.21 0.00 0.00 52.86 52.83 2vvn s ASN 288 Cb -0.11 -2.32 1.54 0.00 -0.55 0.00 0.00 41.25 39.82 2vvn s ASN 288 CO 0.03 -0.90 1.93 1.55 -2.79 0.00 0.00 177.10 176.92 2vvn h PRO 289 N 9.00 0.00 -0.39 0.43 0.13 -1.98 -1.71 132.00 137.48 2vvn h PRO 289 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2vvn h PRO 289 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2vvn h PRO 289 CO 0.96 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.82 2vvn n ASN 290 N -3.50 3.67 -4.65 1.44 3.02 -1.26 -4.97 115.26 109.00 2vvn n ASN 290 Ca 0.04 -2.43 -0.26 0.00 -0.03 0.00 0.00 54.58 51.91 2vvn n ASN 290 Cb 0.54 -0.41 -0.09 0.00 -0.61 0.00 0.00 39.78 39.20 2vvn n ASN 290 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2vvn s GLY 291 N -1.28 2.26 0.00 7.41 0.00 -0.65 -5.07 107.32 110.00 2vvn s GLY 291 Ca 0.36 -2.10 0.18 0.00 0.00 0.00 0.00 44.72 43.16 2vvn s GLY 291 CO 0.16 -1.97 1.42 0.70 0.00 0.00 0.00 173.10 173.42 2vvn n ASN 292 N -1.02 3.55 0.21 1.64 5.03 -1.26 -4.69 115.26 118.71 2vvn n ASN 292 Ca -0.04 -1.99 -0.15 0.00 0.87 0.00 0.00 54.58 53.27 2vvn n ASN 292 Cb 0.64 -0.38 -0.08 0.00 -1.02 0.00 0.00 39.78 38.94 2vvn n ASN 292 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 2vvn h TYR 293 N 3.44 -0.47 0.04 3.10 3.20 -1.97 -1.89 116.97 122.42 2vvn h TYR 293 Ca 0.00 -0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.63 2vvn h TYR 293 Cb 0.89 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2vvn h TYR 293 CO 0.38 -0.20 -1.02 -0.07 -1.64 0.00 0.00 178.16 175.61 2vvn h LEU 294 N -0.67 0.29 -0.95 2.82 3.38 -1.93 -2.18 115.31 116.07 2vvn h LEU 294 Ca -0.05 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.55 2vvn h LEU 294 Cb 0.48 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2vvn h LEU 294 CO 0.09 1.14 -0.25 0.71 0.09 0.00 0.00 178.44 180.21 2vvn h THR 295 N 0.09 1.26 -0.30 0.22 1.35 -1.75 -0.70 112.91 113.08 2vvn h THR 295 Ca -0.07 -1.26 -0.09 0.00 -0.55 0.00 0.00 66.41 64.44 2vvn h THR 295 Cb 1.70 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 69.47 2vvn h THR 295 CO 0.16 0.40 -0.17 0.74 -0.25 0.00 0.00 175.52 176.39 2vvn h THR 296 N 0.41 1.30 -0.34 6.82 2.02 -1.22 -0.96 112.91 120.93 2vvn h THR 296 Ca 0.06 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 2vvn h THR 296 Cb 0.66 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 2vvn h THR 296 CO 0.05 0.41 0.18 -0.07 0.37 0.00 0.00 175.52 176.46 2vvn h LEU 297 N 0.40 0.44 -0.99 2.58 3.38 -1.30 -1.60 115.31 118.23 2vvn h LEU 297 Ca 0.06 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2vvn h LEU 297 Cb 0.71 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 2vvn h LEU 297 CO 0.05 0.42 0.63 1.23 0.09 0.00 0.00 178.44 180.86 2vvn h GLY 298 N 0.43 1.41 1.03 0.83 0.00 -0.96 -1.56 103.07 104.24 2vvn h GLY 298 Ca 0.12 -0.55 -0.22 0.00 0.00 0.00 0.00 47.33 46.68 2vvn h GLY 298 CO -0.02 0.53 -0.84 -0.55 0.00 0.00 0.00 176.54 175.66 2vvn h ASP 299 N 1.35 0.76 0.38 0.19 3.32 -1.14 -3.40 116.42 117.88 2vvn h ASP 299 Ca 0.36 -0.74 -0.30 0.00 0.02 0.00 0.00 57.03 56.37 2vvn h ASP 299 Cb -0.12 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.15 2vvn h ASP 299 CO -0.07 1.40 -1.86 0.29 -1.72 0.00 0.00 179.24 177.27 2vvn n LYS 300 N -4.02 0.65 -2.20 3.56 4.76 -0.61 -4.88 118.16 115.43 2vvn n LYS 300 Ca -0.11 0.21 -0.42 0.00 -2.87 0.00 0.00 58.31 55.12 2vvn n LYS 300 Cb 0.79 -1.72 -0.03 0.00 -1.84 0.00 0.00 35.03 32.22 2vvn n LYS 300 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2vvn s LEU 301 N -5.90 4.35 0.34 -0.35 1.43 -0.59 -4.90 118.68 113.05 2vvn s LEU 301 Ca -0.06 2.23 -0.26 0.00 -1.03 0.00 0.00 54.13 55.01 2vvn s LEU 301 Cb 0.08 -3.57 -0.13 0.00 0.03 0.00 0.00 46.19 42.59 2vvn s LEU 301 CO 0.83 -0.67 0.81 0.59 0.23 0.00 0.00 176.35 178.13 2vvn n ASN 302 N 4.57 0.32 0.18 2.29 3.02 -1.26 -4.87 115.26 119.52 2vvn n ASN 302 Ca 0.12 1.07 0.14 0.00 -0.03 0.00 0.00 54.58 55.88 2vvn n ASN 302 Cb 0.43 -1.20 0.55 0.00 -0.61 0.00 0.00 39.78 38.95 2vvn n ASN 302 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2vvn h PRO 303 N 1.44 0.00 0.00 3.52 0.13 -1.96 -1.98 132.00 133.15 2vvn h PRO 303 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2vvn h PRO 303 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2vvn h PRO 303 CO 0.57 0.00 -0.02 -1.13 -0.23 0.00 0.00 178.00 177.19 2vvn n SER 304 N -2.56 0.17 -4.71 1.44 3.41 -1.26 -4.82 113.62 105.28 2vvn n SER 304 Ca 0.02 0.49 -0.41 0.00 -0.26 0.00 0.00 58.87 58.71 2vvn n SER 304 Cb 0.27 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 2vvn n SER 304 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2vvn s ILE 305 N -3.02 4.96 0.34 -1.33 1.01 -0.75 -4.69 121.20 117.73 2vvn s ILE 305 Ca 0.13 1.70 -0.20 0.00 0.00 0.00 0.00 60.65 62.29 2vvn s ILE 305 Cb 0.18 -4.16 -0.10 0.00 0.01 0.00 0.00 42.46 38.39 2vvn s ILE 305 CO 0.55 0.22 0.85 -1.10 0.00 0.00 0.00 174.94 175.45 2vvn s GLN 306 N 0.86 4.24 -0.12 2.79 -1.52 -0.35 -4.94 119.66 120.62 2vvn s GLN 306 Ca 0.44 0.99 0.02 0.00 -1.95 0.00 0.00 55.36 54.85 2vvn s GLN 306 Cb -0.19 -2.51 0.02 0.00 -0.22 0.00 0.00 33.01 30.10 2vvn s GLN 306 CO 0.22 0.17 -0.16 0.42 -0.25 0.00 0.00 175.29 175.69 2vvn s ILE 307 N -1.88 1.56 0.45 1.08 1.01 -1.26 -0.49 121.20 121.66 2vvn s ILE 307 Ca 0.54 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 2vvn s ILE 307 Cb -0.13 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 2vvn s ILE 307 CO 0.18 0.45 0.74 -0.04 0.00 0.00 0.00 174.94 176.28 2vvn s MET 308 N 1.05 3.57 -0.28 2.79 -1.94 -0.45 -1.27 119.30 122.77 2vvn s MET 308 Ca -0.05 0.16 -0.22 0.00 -1.71 0.00 0.00 55.69 53.87 2vvn s MET 308 Cb -0.15 -2.43 0.09 0.00 2.01 0.00 0.00 34.83 34.35 2vvn s MET 308 CO -0.03 -0.12 0.78 -0.46 -0.01 0.00 0.00 175.02 175.18 2vvn s TRP 309 N -2.61 -0.80 -1.64 -0.03 -0.11 -1.02 -4.24 118.94 108.50 2vvn s TRP 309 Ca 0.47 1.80 0.18 0.00 1.22 0.00 0.00 56.10 59.77 2vvn s TRP 309 Cb -0.10 0.39 -0.01 0.00 -1.50 0.00 0.00 33.47 32.24 2vvn s TRP 309 CO 0.41 -0.39 0.93 0.25 -4.62 0.00 0.00 176.95 173.53 2vvn n THR 310 N 3.10 0.00 0.00 5.86 -2.24 0.17 -0.18 114.28 120.98 2vvn n THR 310 Ca -0.16 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2vvn n THR 310 Cb 0.56 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 2vvn n THR 310 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vvn n GLY 311 N 1.24 0.16 0.13 3.38 0.00 -1.26 -4.11 105.19 104.72 2vvn n GLY 311 Ca 0.07 -1.98 0.12 0.00 0.00 0.00 0.00 46.02 44.24 2vvn n GLY 311 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vvn h ASP 312 N 0.00 0.00 -5.26 1.61 3.32 -1.92 0.23 116.42 114.40 2vvn h ASP 312 Ca 0.00 -0.05 -0.31 0.00 0.02 0.00 0.00 57.03 56.69 2vvn h ASP 312 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 2vvn h ASP 312 CO 0.00 0.03 -0.60 -0.13 -1.72 0.00 0.00 179.24 176.82 2vvn s ARG 313 N -3.19 1.35 0.20 3.56 0.52 -1.26 -1.01 118.95 119.12 2vvn s ARG 313 Ca 0.07 -1.73 -0.11 0.00 -0.52 0.00 0.00 55.73 53.44 2vvn s ARG 313 Cb 0.10 0.11 0.18 0.00 0.52 0.00 0.00 34.95 35.86 2vvn s ARG 313 CO 0.68 -0.40 1.82 0.28 0.02 0.00 0.00 175.30 177.70 2vvn h VAL 314 N 2.47 1.03 -3.77 3.52 2.07 -1.88 -3.35 116.25 116.34 2vvn h VAL 314 Ca -0.35 -0.25 -0.68 0.00 0.82 0.00 0.00 66.70 66.24 2vvn h VAL 314 Cb 1.25 0.25 -0.34 0.00 -1.52 0.00 0.00 31.29 30.93 2vvn h VAL 314 CO 0.53 0.13 -0.71 -0.63 0.02 0.00 0.00 177.57 176.91 2vvn s ILE 315 N -6.11 2.87 0.16 4.57 -1.09 -1.26 -4.67 121.20 115.66 2vvn s ILE 315 Ca -0.13 -1.49 -0.20 0.00 -2.23 0.00 0.00 60.65 56.60 2vvn s ILE 315 Cb 0.15 -2.69 0.05 0.00 -1.58 0.00 0.00 42.46 38.39 2vvn s ILE 315 CO 0.76 -0.15 0.54 -0.94 -1.23 0.00 0.00 174.94 173.92 2vvn s SER 316 N 1.26 -0.43 0.19 3.58 1.04 -1.26 -4.82 113.70 113.26 2vvn s SER 316 Ca -0.04 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.22 2vvn s SER 316 Cb -0.20 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 2vvn s SER 316 CO -0.02 -0.96 0.36 -1.81 0.98 0.00 0.00 173.24 171.79 2vvn s ASP 317 N -2.79 6.36 -0.21 7.02 1.01 -1.26 -4.65 116.67 122.15 2vvn s ASP 317 Ca 0.03 0.30 -0.19 0.00 0.71 0.00 0.00 52.55 53.40 2vvn s ASP 317 Cb -0.00 -1.97 -0.03 0.00 1.01 0.00 0.00 42.92 41.93 2vvn s ASP 317 CO -0.11 -0.02 0.57 -0.63 0.21 0.00 0.00 175.17 175.19 2vvn s ILE 318 N -1.85 5.05 0.28 0.77 -1.09 -1.26 -4.75 121.20 118.35 2vvn s ILE 318 Ca 0.37 1.05 0.09 0.00 -2.23 0.00 0.00 60.65 59.93 2vvn s ILE 318 Cb -0.11 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 2vvn s ILE 318 CO 0.29 0.12 0.09 0.42 -1.23 0.00 0.00 174.94 174.63 2vvn s THR 319 N 1.94 3.63 0.11 2.92 -4.23 -1.26 -1.35 115.64 117.40 2vvn s THR 319 Ca 0.26 -1.71 -0.21 0.00 -1.18 0.00 0.00 61.69 58.84 2vvn s THR 319 Cb -0.16 -3.03 -0.08 0.00 1.34 0.00 0.00 72.50 70.57 2vvn s THR 319 CO 0.10 -0.32 1.72 -0.09 -0.54 0.00 0.00 174.62 175.48 2vvn h ARG 320 N 1.69 -0.00 -0.62 3.99 2.43 -1.97 -1.06 114.38 118.84 2vvn h ARG 320 Ca -0.45 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.68 2vvn h ARG 320 Cb 1.25 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 2vvn h ARG 320 CO 0.61 -0.00 0.24 -0.44 -1.51 0.00 0.00 179.97 178.87 2vvn h ASP 321 N -0.00 0.83 -0.15 -3.80 3.32 -1.99 -1.28 116.42 113.36 2vvn h ASP 321 Ca 0.05 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 2vvn h ASP 321 Cb 0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2vvn h ASP 321 CO -0.11 0.75 0.09 1.23 -1.72 0.00 0.00 179.24 179.47 2vvn h GLY 322 N 1.00 0.21 2.00 2.75 0.00 -1.89 -1.82 103.07 105.33 2vvn h GLY 322 Ca 0.21 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.30 2vvn h GLY 322 CO -0.02 0.09 -0.72 1.19 0.00 0.00 0.00 176.54 177.08 2vvn h ILE 323 N 0.16 1.34 -0.69 2.60 2.10 -1.04 -2.70 117.51 119.28 2vvn h ILE 323 Ca 0.05 -2.61 -0.07 0.00 1.08 0.00 0.00 64.86 63.30 2vvn h ILE 323 Cb 0.03 2.48 -0.03 0.00 -1.09 0.00 0.00 36.82 38.21 2vvn h ILE 323 CO -0.01 0.70 0.14 0.28 -1.08 0.00 0.00 178.15 178.19 2vvn h SER 324 N 0.00 1.06 -0.00 2.19 0.02 -1.20 -1.15 113.55 114.46 2vvn h SER 324 Ca -0.01 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2vvn h SER 324 Cb 1.42 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 2vvn h SER 324 CO 0.09 1.03 0.00 -0.25 -1.14 0.00 0.00 176.83 176.57 2vvn h TRP 325 N 1.05 0.00 -0.22 3.45 7.01 -1.13 -2.45 115.95 123.66 2vvn h TRP 325 Ca 0.21 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.17 2vvn h TRP 325 Cb 0.40 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.45 2vvn h TRP 325 CO 0.03 0.00 -0.02 0.97 -2.79 0.00 0.00 178.44 176.63 2vvn h ILE 326 N 0.00 1.27 -0.57 2.65 6.09 -1.42 -3.24 117.51 122.29 2vvn h ILE 326 Ca 0.00 -0.96 0.04 0.00 -1.37 0.00 0.00 64.86 62.58 2vvn h ILE 326 Cb 0.00 1.45 -0.03 0.00 0.47 0.00 0.00 36.82 38.71 2vvn h ILE 326 CO -0.00 0.30 0.38 0.78 -3.07 0.00 0.00 178.15 176.53 2vvn h ASN 327 N 0.16 0.54 0.23 2.19 2.35 -1.14 -0.70 115.58 119.21 2vvn h ASN 327 Ca 0.06 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2vvn h ASN 327 Cb 0.45 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2vvn h ASN 327 CO 0.02 0.36 -0.23 -0.33 -1.65 0.00 0.00 177.43 175.60 2vvn h GLU 328 N 0.62 0.00 0.12 0.81 5.08 -1.46 -1.25 114.58 118.49 2vvn h GLU 328 Ca 0.23 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.24 2vvn h GLU 328 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2vvn h GLU 328 CO -0.06 0.23 -1.92 0.00 -1.00 0.00 0.00 179.01 176.25 2vvn h ARG 329 N 0.00 0.25 -0.00 2.33 3.08 -1.24 -3.36 114.38 115.43 2vvn h ARG 329 Ca -0.00 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2vvn h ARG 329 Cb 0.40 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2vvn h ARG 329 CO 0.03 1.13 -0.27 0.44 -1.07 0.00 0.00 179.97 180.23 2vvn n ILE 330 N -3.44 0.00 -2.98 2.04 -5.35 -0.68 -4.21 119.36 104.74 2vvn n ILE 330 Ca -0.29 -0.08 -0.22 0.00 -0.27 0.00 0.00 62.75 61.90 2vvn n ILE 330 Cb 1.05 0.21 0.02 0.00 -1.74 0.00 0.00 39.64 39.18 2vvn n ILE 330 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2vvn n LYS 331 N -0.95 -3.96 -3.61 6.28 4.76 -0.48 -4.43 118.16 115.77 2vvn n LYS 331 Ca 0.11 0.79 -0.06 0.00 -2.87 0.00 0.00 58.31 56.28 2vvn n LYS 331 Cb 0.33 -5.58 -0.02 0.00 -1.84 0.00 0.00 35.03 27.92 2vvn n LYS 331 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2vvn s ARG 332 N -5.64 0.97 -0.01 1.97 1.70 -1.23 -5.09 118.95 111.61 2vvn s ARG 332 Ca 0.27 -0.45 -0.30 0.00 -0.47 0.00 0.00 55.73 54.77 2vvn s ARG 332 Cb -0.13 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 2vvn s ARG 332 CO 0.33 -0.43 1.11 -2.14 -1.08 0.00 0.00 175.30 173.09 2vvn s PRO 333 N -3.17 4.44 0.63 3.89 0.02 -1.26 -4.52 135.00 135.03 2vvn s PRO 333 Ca 0.08 1.59 -0.18 0.00 0.02 0.00 0.00 61.00 62.52 2vvn s PRO 333 Cb -0.01 -3.46 -0.03 0.00 0.02 0.00 0.00 34.50 31.02 2vvn s PRO 333 CO -0.04 -0.26 1.10 0.00 -0.33 0.00 0.00 177.00 177.47 2vvn n ALA 334 N 4.42 0.58 -3.21 -1.55 0.00 -1.24 -3.80 120.51 115.71 2vvn n ALA 334 Ca 0.09 -0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.13 2vvn n ALA 334 Cb 0.48 -2.20 -0.11 0.00 0.00 0.00 0.00 19.45 17.61 2vvn n ALA 334 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2vvn s TYR 335 N -1.47 3.29 0.01 0.00 5.04 -0.40 -1.03 117.35 122.80 2vvn s TYR 335 Ca 0.79 -1.43 -0.30 0.00 -2.44 0.00 0.00 57.07 53.69 2vvn s TYR 335 Cb -0.40 -2.54 -0.05 0.00 0.35 0.00 0.00 41.96 39.33 2vvn s TYR 335 CO 0.44 -0.76 1.21 0.42 -1.34 0.00 0.00 175.55 175.51 2vvn s ILE 336 N 1.42 4.12 -0.51 3.14 -1.09 0.10 -2.42 121.20 125.96 2vvn s ILE 336 Ca 0.01 1.50 -0.17 0.00 -2.23 0.00 0.00 60.65 59.76 2vvn s ILE 336 Cb -0.21 -3.96 0.09 0.00 -1.58 0.00 0.00 42.46 36.80 2vvn s ILE 336 CO 0.03 0.07 0.50 0.86 -1.23 0.00 0.00 174.94 175.16 2vvn s TRP 337 N 1.57 3.19 -0.32 3.97 -0.11 0.74 -0.43 118.94 127.56 2vvn s TRP 337 Ca 0.58 -1.00 -0.14 0.00 1.22 0.00 0.00 56.10 56.76 2vvn s TRP 337 Cb -0.28 -3.53 -0.02 0.00 -1.50 0.00 0.00 33.47 28.14 2vvn s TRP 337 CO 0.26 -0.96 0.31 -0.46 -4.62 0.00 0.00 176.95 171.48 2vvn s TRP 338 N 1.89 3.22 -1.45 5.86 -0.00 0.44 -4.14 118.94 124.76 2vvn s TRP 338 Ca 0.06 0.05 -0.10 0.00 -0.00 0.00 0.00 56.10 56.12 2vvn s TRP 338 Cb -0.25 -2.56 0.04 0.00 -0.00 0.00 0.00 33.47 30.69 2vvn s TRP 338 CO 0.06 -0.33 2.46 0.09 -0.00 0.00 0.00 176.95 179.23 2vvn n ASN 339 N 5.27 6.86 -3.64 5.86 3.02 -1.26 -0.61 115.26 130.76 2vvn n ASN 339 Ca -0.10 -2.87 -0.09 0.00 -0.03 0.00 0.00 54.58 51.48 2vvn n ASN 339 Cb 0.50 -1.52 -0.07 0.00 -0.61 0.00 0.00 39.78 38.09 2vvn n ASN 339 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2vvn s PHE 340 N 1.22 -0.98 -1.30 3.10 5.36 -1.21 -4.45 117.98 119.71 2vvn s PHE 340 Ca 0.55 2.07 0.09 0.00 -0.96 0.00 0.00 56.93 58.69 2vvn s PHE 340 Cb 0.16 0.53 0.37 0.00 -0.34 0.00 0.00 43.02 43.73 2vvn s PHE 340 CO -0.06 -0.48 1.19 -0.35 -1.46 0.00 0.00 175.22 174.06 2vvn n PRO 341 N 3.82 2.41 -1.47 10.12 -0.04 -1.17 -4.17 135.00 144.50 2vvn n PRO 341 Ca -0.18 -1.45 -0.57 0.00 -0.04 0.00 0.00 63.50 61.26 2vvn n PRO 341 Cb 0.58 -1.59 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 2vvn n PRO 341 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2vvn n VAL 342 N 0.44 0.31 -1.48 0.52 3.14 -0.17 -4.27 118.33 116.82 2vvn n VAL 342 Ca 0.13 -0.08 0.06 0.00 -2.96 0.00 0.00 64.34 61.50 2vvn n VAL 342 Cb 0.52 0.00 0.10 0.00 -1.06 0.00 0.00 33.84 33.41 2vvn n VAL 342 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2vvn n SER 343 N 1.57 1.56 0.00 6.55 3.41 -1.26 -4.83 113.62 120.61 2vvn n SER 343 Ca 0.20 -2.84 0.10 0.00 -0.26 0.00 0.00 58.87 56.06 2vvn n SER 343 Cb 0.11 -0.37 0.49 0.00 -0.26 0.00 0.00 64.21 64.17 2vvn n SER 343 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2vvn n ASP 344 N -0.89 0.00 -0.37 4.04 5.68 -1.26 -1.47 116.55 122.28 2vvn n ASP 344 Ca 0.12 0.06 0.05 0.00 -0.50 0.00 0.00 54.79 54.51 2vvn n ASP 344 Cb 0.70 -0.31 0.04 0.00 -1.14 0.00 0.00 41.12 40.41 2vvn n ASP 344 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2vvn n TYR 345 N -1.31 0.02 -2.95 2.11 4.11 -1.26 -4.60 117.16 113.28 2vvn n TYR 345 Ca 0.09 -0.02 -0.14 0.00 -0.00 0.00 0.00 57.90 57.82 2vvn n TYR 345 Cb 0.17 -0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.50 2vvn n TYR 345 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 2vvn n VAL 346 N 0.51 0.41 0.31 -3.48 0.24 -0.54 -4.96 118.33 110.81 2vvn n VAL 346 Ca 0.05 -3.95 0.21 0.00 -2.04 0.00 0.00 64.34 58.61 2vvn n VAL 346 Cb 0.23 0.11 1.01 0.00 -1.47 0.00 0.00 33.84 33.73 2vvn n VAL 346 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2vvn h ARG 347 N 2.99 0.00 0.00 7.34 3.08 -1.63 -0.59 114.38 125.57 2vvn h ARG 347 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2vvn h ARG 347 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2vvn h ARG 347 CO 0.51 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 179.01 2vvn n ASP 348 N -3.10 0.00 -4.53 7.04 5.75 -1.05 -4.87 116.55 115.79 2vvn n ASP 348 Ca -0.02 -0.15 -0.32 0.00 -0.01 0.00 0.00 54.79 54.29 2vvn n ASP 348 Cb 0.16 -0.25 -0.12 0.00 -1.03 0.00 0.00 41.12 39.88 2vvn n ASP 348 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2vvn s HIS 349 N -2.50 2.77 -0.09 2.11 3.76 -0.23 -0.64 115.29 120.47 2vvn s HIS 349 Ca 0.25 -0.11 -0.09 0.00 -0.15 0.00 0.00 55.06 54.96 2vvn s HIS 349 Cb 0.17 -1.60 -0.04 0.00 1.11 0.00 0.00 32.58 32.21 2vvn s HIS 349 CO 0.36 0.28 0.22 -0.51 -0.85 0.00 0.00 174.74 174.24 2vvn s LEU 350 N -1.12 4.41 -0.55 0.89 1.43 -1.26 -4.95 118.68 117.53 2vvn s LEU 350 Ca 0.14 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 2vvn s LEU 350 Cb -0.11 -2.22 0.14 0.00 0.03 0.00 0.00 46.19 44.03 2vvn s LEU 350 CO 0.04 0.38 0.31 -0.76 0.23 0.00 0.00 176.35 176.55 2vvn s LEU 351 N -1.04 4.63 0.00 1.79 1.43 -1.26 -4.06 118.68 120.17 2vvn s LEU 351 Ca 0.17 -2.93 0.05 0.00 -1.03 0.00 0.00 54.13 50.40 2vvn s LEU 351 Cb -0.13 -1.71 0.14 0.00 0.03 0.00 0.00 46.19 44.52 2vvn s LEU 351 CO 0.07 -0.28 1.11 0.18 0.23 0.00 0.00 176.35 177.66 2vvn n LEU 352 N 3.27 2.42 -4.68 1.79 4.77 -0.29 -4.87 117.00 119.41 2vvn n LEU 352 Ca 0.06 -1.98 -0.29 0.00 -0.03 0.00 0.00 56.01 53.76 2vvn n LEU 352 Cb 0.34 -0.11 0.20 0.00 -2.33 0.00 0.00 43.42 41.52 2vvn n LEU 352 CO 0.33 0.60 0.66 -0.83 -1.33 0.00 0.00 177.39 176.83 2vvn s GLY 353 N -0.99 1.59 0.89 -0.72 0.00 -1.25 -4.77 107.32 102.07 2vvn s GLY 353 Ca 0.11 -0.70 -0.10 0.00 0.00 0.00 0.00 44.72 44.02 2vvn s GLY 353 CO 0.08 0.03 1.13 -4.14 0.00 0.00 0.00 173.10 170.19 2vvn s PRO 354 N -5.27 1.21 -0.29 2.90 0.02 -1.26 -4.71 135.00 127.61 2vvn s PRO 354 Ca 0.68 1.40 -0.22 0.00 0.02 0.00 0.00 61.00 62.88 2vvn s PRO 354 Cb -0.13 -1.76 -0.01 0.00 0.02 0.00 0.00 34.50 32.62 2vvn s PRO 354 CO 0.56 -2.45 0.73 0.08 -0.33 0.00 0.00 177.00 175.59 2vvn s VAL 355 N -2.71 4.87 0.28 3.83 1.01 -1.26 -5.04 120.40 121.37 2vvn s VAL 355 Ca 0.65 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 63.64 2vvn s VAL 355 Cb -0.21 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.10 2vvn s VAL 355 CO 0.58 -0.15 0.58 -0.72 0.00 0.00 0.00 175.10 175.39 2vvn s TYR 356 N 2.78 0.21 0.00 5.22 -0.85 -1.26 -4.70 117.35 118.76 2vvn s TYR 356 Ca 0.30 -0.63 0.00 0.00 -0.52 0.00 0.00 57.07 56.22 2vvn s TYR 356 Cb -0.15 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.59 2vvn s TYR 356 CO 0.11 -1.14 0.00 0.41 -1.52 0.00 0.00 175.55 173.41 2vvn n GLY 357 N -0.43 2.87 3.75 5.49 0.00 -1.26 -5.00 105.19 110.60 2vvn n GLY 357 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2vvn n GLY 357 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vvn s ASN 358 N -1.08 7.21 0.22 1.61 0.01 -1.26 -4.40 114.94 117.24 2vvn s ASN 358 Ca 0.00 1.44 -0.31 0.00 -0.71 0.00 0.00 52.86 53.28 2vvn s ASN 358 Cb 0.00 -2.46 -0.10 0.00 0.41 0.00 0.00 41.25 39.10 2vvn s ASN 358 CO 0.00 0.05 1.54 -0.62 -1.51 0.00 0.00 177.10 176.55 2vvn s ASP 359 N -0.19 6.55 0.00 -1.22 -1.08 -0.45 -4.90 116.67 115.38 2vvn s ASP 359 Ca 0.37 2.72 0.20 0.00 -0.52 0.00 0.00 52.55 55.32 2vvn s ASP 359 Cb -0.21 -2.61 0.54 0.00 -1.46 0.00 0.00 42.92 39.18 2vvn s ASP 359 CO 0.23 -0.81 1.44 0.35 0.52 0.00 0.00 175.17 176.90 2vvn n THR 360 N 3.05 0.47 -0.38 1.71 -2.24 -1.26 -4.21 114.28 111.41 2vvn n THR 360 Ca 0.10 -0.59 0.04 0.00 -2.27 0.00 0.00 64.05 61.34 2vvn n THR 360 Cb 0.39 0.53 0.09 0.00 -2.10 0.00 0.00 70.33 69.24 2vvn n THR 360 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2vvn n THR 361 N 0.91 1.34 -1.12 4.28 -2.24 -1.26 -3.35 114.28 112.84 2vvn n THR 361 Ca 0.17 -1.38 0.09 0.00 -2.27 0.00 0.00 64.05 60.66 2vvn n THR 361 Cb 0.45 0.25 0.17 0.00 -2.10 0.00 0.00 70.33 69.10 2vvn n THR 361 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2vvn n ILE 362 N -0.50 2.02 -0.32 2.28 -5.35 -1.26 -4.72 119.36 111.50 2vvn n ILE 362 Ca 0.08 -2.32 0.08 0.00 -0.27 0.00 0.00 62.75 60.33 2vvn n ILE 362 Cb 0.44 -0.25 0.24 0.00 -1.74 0.00 0.00 39.64 38.34 2vvn n ILE 362 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2vvn h ALA 363 N 0.45 1.41 0.00 -1.28 0.00 -1.88 0.57 119.26 118.53 2vvn h ALA 363 Ca 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2vvn h ALA 363 Cb 1.10 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2vvn h ALA 363 CO 0.05 0.01 -0.01 0.87 0.00 0.00 0.00 179.25 180.17 2vvn h LYS 364 N 0.75 0.00 -0.10 0.00 1.57 -1.84 -2.33 116.57 114.62 2vvn h LYS 364 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2vvn h LYS 364 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2vvn h LYS 364 CO -0.33 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 178.95 2vvn n GLU 365 N -3.31 1.84 -4.74 3.15 -0.58 0.19 -4.87 120.64 112.33 2vvn n GLU 365 Ca -0.03 -1.25 -0.24 0.00 -0.42 0.00 0.00 57.16 55.23 2vvn n GLU 365 Cb 0.11 -1.45 -0.16 0.00 -0.57 0.00 0.00 31.44 29.38 2vvn n GLU 365 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2vvn s MET 366 N -1.89 1.44 0.18 3.49 0.23 -0.88 -3.67 119.30 118.21 2vvn s MET 366 Ca 0.35 -0.55 0.09 0.00 -1.03 0.00 0.00 55.69 54.54 2vvn s MET 366 Cb 0.20 -1.32 0.00 0.00 -1.53 0.00 0.00 34.83 32.18 2vvn s MET 366 CO 0.30 0.27 1.40 0.77 -2.03 0.00 0.00 175.02 175.74 2vvn h SER 367 N 6.03 0.00 -4.92 -1.18 0.02 -1.18 -3.42 113.55 108.90 2vvn h SER 367 Ca -0.34 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 2vvn h SER 367 Cb 1.16 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.56 2vvn h SER 367 CO 0.48 0.85 0.26 -0.83 -1.14 0.00 0.00 176.83 176.44 2vvn s GLY 368 N -4.61 -0.58 -0.13 -3.77 0.00 -1.25 -2.39 107.32 94.58 2vvn s GLY 368 Ca 0.00 0.78 -0.04 0.00 0.00 0.00 0.00 44.72 45.47 2vvn s GLY 368 CO 0.80 0.37 0.13 -0.12 0.00 0.00 0.00 173.10 174.28 2vvn s PHE 369 N -3.06 -0.03 0.00 1.90 5.36 0.33 0.01 117.98 122.50 2vvn s PHE 369 Ca -0.01 0.16 0.06 0.00 -0.96 0.00 0.00 56.93 56.18 2vvn s PHE 369 Cb -0.01 -0.47 -0.02 0.00 -0.34 0.00 0.00 43.02 42.19 2vvn s PHE 369 CO -0.07 -0.40 -0.19 0.14 -1.46 0.00 0.00 175.22 173.24 2vvn s VAL 370 N 2.22 1.47 -0.13 3.12 -7.23 0.43 -2.08 120.40 118.21 2vvn s VAL 370 Ca 0.04 -0.89 -0.17 0.00 -1.81 0.00 0.00 61.98 59.15 2vvn s VAL 370 Cb -0.14 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 2vvn s VAL 370 CO -0.07 0.34 0.44 0.28 -0.31 0.00 0.00 175.10 175.78 2vvn s THR 371 N -0.54 5.21 -0.41 5.32 -1.32 -0.86 0.17 115.64 123.21 2vvn s THR 371 Ca 0.07 0.88 -0.22 0.00 -1.21 0.00 0.00 61.69 61.21 2vvn s THR 371 Cb -0.07 -3.78 0.02 0.00 -1.51 0.00 0.00 72.50 67.15 2vvn s THR 371 CO -0.00 0.34 0.70 0.21 -2.21 0.00 0.00 174.62 173.65 2vvn s ASN 372 N 0.60 6.41 0.64 8.08 2.47 0.22 -1.49 114.94 131.87 2vvn s ASN 372 Ca 0.24 -0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.49 2vvn s ASN 372 Cb -0.15 -2.35 0.11 0.00 -1.45 0.00 0.00 41.25 37.41 2vvn s ASN 372 CO 0.09 -0.75 0.75 -0.81 -3.72 0.00 0.00 177.10 172.66 2vvn n PRO 373 N 6.34 0.10 -1.84 0.43 -0.04 -1.26 -1.00 135.00 137.73 2vvn n PRO 373 Ca 0.00 -2.09 -0.31 0.00 -0.04 0.00 0.00 63.50 61.06 2vvn n PRO 373 Cb 0.48 -0.49 0.02 0.00 -0.04 0.00 0.00 33.50 33.47 2vvn n PRO 373 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2vvn s MET 374 N -4.43 3.48 0.48 0.54 -1.94 -1.26 -3.68 119.30 112.50 2vvn s MET 374 Ca 0.50 0.80 0.31 0.00 -1.71 0.00 0.00 55.69 55.59 2vvn s MET 374 Cb -0.03 -2.06 1.67 0.00 2.01 0.00 0.00 34.83 36.41 2vvn s MET 374 CO 0.33 -0.66 1.93 1.05 -0.01 0.00 0.00 175.02 177.66 2vvn h GLU 375 N -0.33 0.00 -5.88 2.03 4.11 -1.91 -3.36 114.58 109.23 2vvn h GLU 375 Ca -0.44 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.40 2vvn h GLU 375 Cb 1.19 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.33 2vvn h GLU 375 CO 0.61 0.00 0.77 -1.01 0.07 0.00 0.00 179.01 179.45 2vvn s HIS 376 N -3.80 2.51 -0.03 2.06 3.76 -1.26 -4.73 115.29 113.80 2vvn s HIS 376 Ca -0.03 -0.29 -0.25 0.00 -0.15 0.00 0.00 55.06 54.34 2vvn s HIS 376 Cb 0.09 -4.43 -0.19 0.00 1.11 0.00 0.00 32.58 29.16 2vvn s HIS 376 CO 0.28 -1.82 1.18 0.00 -0.85 0.00 0.00 174.74 173.53 2vvn h ALA 377 N 9.75 -0.10 -0.77 -1.40 0.00 -1.98 -2.49 119.26 122.27 2vvn h ALA 377 Ca -0.28 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2vvn h ALA 377 Cb 1.06 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2vvn h ALA 377 CO 1.22 -0.30 0.33 0.93 0.00 0.00 0.00 179.25 181.43 2vvn h GLU 378 N -0.61 1.14 0.00 0.00 4.39 -1.91 -2.78 114.58 114.80 2vvn h GLU 378 Ca -0.01 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 2vvn h GLU 378 Cb 0.51 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2vvn h GLU 378 CO 0.02 0.90 -0.26 0.77 -1.16 0.00 0.00 179.01 179.28 2vvn h SER 379 N 1.11 0.00 1.03 1.42 0.02 -1.89 -1.46 113.55 113.77 2vvn h SER 379 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2vvn h SER 379 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2vvn h SER 379 CO -0.03 0.26 0.00 0.28 -1.14 0.00 0.00 176.83 176.20 2vvn h SER 380 N 0.00 0.00 0.15 3.07 0.02 -1.15 -3.27 113.55 112.36 2vvn h SER 380 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2vvn h SER 380 Cb 0.51 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 2vvn h SER 380 CO 0.03 0.00 -0.08 0.11 -1.14 0.00 0.00 176.83 175.76 2vvn h LYS 381 N 0.00 0.00 0.15 3.45 1.57 -1.28 -0.45 116.57 120.00 2vvn h LYS 381 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2vvn h LYS 381 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2vvn h LYS 381 CO 0.00 0.08 -0.18 0.82 -0.57 0.00 0.00 179.45 179.60 2vvn h ILE 382 N 0.00 0.60 -0.35 1.86 2.04 -1.77 -0.32 117.51 119.57 2vvn h ILE 382 Ca -0.00 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.72 2vvn h ILE 382 Cb 0.17 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2vvn h ILE 382 CO 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 178.15 177.82 2vvn h ALA 383 N 0.43 0.73 -0.35 1.87 0.00 -1.66 -2.91 119.26 117.37 2vvn h ALA 383 Ca 0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2vvn h ALA 383 Cb 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2vvn h ALA 383 CO -0.07 0.66 0.13 0.82 0.00 0.00 0.00 179.25 180.79 2vvn h ILE 384 N 0.67 1.20 -0.87 0.00 2.04 -0.88 0.19 117.51 119.86 2vvn h ILE 384 Ca 0.07 -0.63 0.07 0.00 1.00 0.00 0.00 64.86 65.37 2vvn h ILE 384 Cb 0.89 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 2vvn h ILE 384 CO 0.08 0.22 0.54 0.22 0.00 0.00 0.00 178.15 179.21 2vvn h TYR 385 N 0.42 1.00 -0.26 1.37 3.20 -1.09 -0.32 116.97 121.29 2vvn h TYR 385 Ca 0.12 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.88 2vvn h TYR 385 Cb 0.22 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 2vvn h TYR 385 CO 0.00 0.49 -0.34 0.77 -1.64 0.00 0.00 178.16 177.44 2vvn h SER 386 N 0.97 0.75 -0.95 -2.11 0.02 -1.23 -2.17 113.55 108.83 2vvn h SER 386 Ca 0.39 -0.50 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2vvn h SER 386 Cb 0.20 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.48 2vvn h SER 386 CO -0.19 1.11 0.63 0.58 -1.14 0.00 0.00 176.83 177.82 2vvn h VAL 387 N 0.42 1.24 -0.96 2.27 2.07 -0.36 0.15 116.25 121.08 2vvn h VAL 387 Ca 0.03 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2vvn h VAL 387 Cb 0.93 -0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 2vvn h VAL 387 CO 0.08 0.23 0.58 0.00 0.02 0.00 0.00 177.57 178.49 2vvn h ALA 388 N 1.35 1.22 -0.14 1.67 0.00 -0.87 0.77 119.26 123.25 2vvn h ALA 388 Ca 0.35 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2vvn h ALA 388 Cb -0.15 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.25 2vvn h ALA 388 CO -0.08 0.66 -0.08 1.03 0.00 0.00 0.00 179.25 180.78 2vvn h SER 389 N 1.32 0.32 -0.06 0.00 0.87 -0.95 -2.68 113.55 112.36 2vvn h SER 389 Ca 0.34 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2vvn h SER 389 Cb -0.07 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2vvn h SER 389 CO -0.07 0.68 0.04 0.22 -0.53 0.00 0.00 176.83 177.17 2vvn h TYR 390 N -0.04 0.07 0.00 2.24 3.20 -0.26 -2.35 116.97 119.84 2vvn h TYR 390 Ca 0.03 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 2vvn h TYR 390 Cb 0.57 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2vvn h TYR 390 CO 0.07 0.05 -0.33 0.00 -1.64 0.00 0.00 178.16 176.31 2vvn h ALA 391 N 1.02 1.06 -0.00 1.82 0.00 -0.91 -1.32 119.26 120.93 2vvn h ALA 391 Ca 0.02 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2vvn h ALA 391 Cb -0.01 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2vvn h ALA 391 CO -0.00 0.41 -0.31 2.35 0.00 0.00 0.00 179.25 181.70 2vvn h TRP 392 N 0.00 0.32 -2.27 0.00 2.91 -1.44 -2.97 115.95 112.50 2vvn h TRP 392 Ca -0.00 -0.17 -0.58 0.00 1.13 0.00 0.00 58.89 59.27 2vvn h TRP 392 Cb 0.80 -0.04 -0.38 0.00 -0.51 0.00 0.00 29.16 29.03 2vvn h TRP 392 CO 0.00 0.97 -1.00 -1.71 -1.03 0.00 0.00 178.44 175.67 2vvn n ASN 393 N -4.46 -0.40 0.03 2.65 2.85 -0.89 -1.36 115.26 113.69 2vvn n ASN 393 Ca -0.10 -2.44 -0.02 0.00 -0.11 0.00 0.00 54.58 51.91 2vvn n ASN 393 Cb 0.53 -0.54 0.25 0.00 1.24 0.00 0.00 39.78 41.26 2vvn n ASN 393 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2vvn h PRO 394 N 5.29 0.45 -0.96 1.20 0.13 -1.45 -2.84 132.00 133.82 2vvn h PRO 394 Ca 0.23 -0.14 0.12 0.00 -0.87 0.00 0.00 66.00 65.34 2vvn h PRO 394 Cb 0.91 -0.04 -0.08 0.00 0.13 0.00 0.00 31.00 31.91 2vvn h PRO 394 CO 0.39 0.61 0.61 0.00 -0.23 0.00 0.00 178.00 179.37 2vvn h ALA 395 N 1.41 1.61 -0.59 -0.56 0.00 -1.86 -1.91 119.26 117.35 2vvn h ALA 395 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2vvn h ALA 395 Cb 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2vvn h ALA 395 CO 0.03 0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.07 2vvn n LYS 396 N -4.59 3.02 -2.06 0.00 4.01 -1.12 -5.00 118.16 112.42 2vvn n LYS 396 Ca 0.18 -2.40 -0.42 0.00 -0.51 0.00 0.00 58.31 55.15 2vvn n LYS 396 Cb 0.37 -1.69 -0.03 0.00 -0.51 0.00 0.00 35.03 33.17 2vvn n LYS 396 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 2vvn s TYR 397 N -1.55 2.77 -0.33 2.13 5.04 -0.72 -4.97 117.35 119.71 2vvn s TYR 397 Ca 0.44 0.62 0.03 0.00 -2.44 0.00 0.00 57.07 55.72 2vvn s TYR 397 Cb 0.26 -3.82 0.10 0.00 0.35 0.00 0.00 41.96 38.85 2vvn s TYR 397 CO 0.24 -3.12 0.06 0.34 -1.34 0.00 0.00 175.55 171.73 2vvn s ASP 398 N 1.88 4.66 0.12 4.32 -1.08 -1.26 -5.03 116.67 120.28 2vvn s ASP 398 Ca 0.69 -2.08 -0.31 0.00 -0.52 0.00 0.00 52.55 50.33 2vvn s ASP 398 Cb -0.37 -1.52 -0.11 0.00 -1.46 0.00 0.00 42.92 39.47 2vvn s ASP 398 CO 0.30 -0.38 1.51 0.74 0.52 0.00 0.00 175.17 177.86 2vvn h THR 399 N 6.59 0.00 -0.06 1.71 2.02 -1.93 -1.75 112.91 119.49 2vvn h THR 399 Ca -0.06 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.96 2vvn h THR 399 Cb 1.02 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2vvn h THR 399 CO 0.51 0.00 -0.62 -0.50 0.37 0.00 0.00 175.52 175.28 2vvn h TRP 400 N -0.41 0.75 -0.99 3.16 4.06 -1.96 -2.07 115.95 118.49 2vvn h TRP 400 Ca 0.06 -0.36 0.07 0.00 2.06 0.00 0.00 58.89 60.72 2vvn h TRP 400 Cb 0.57 -0.10 -0.07 0.00 -1.00 0.00 0.00 29.16 28.56 2vvn h TRP 400 CO -0.69 1.16 0.63 0.37 -3.56 0.00 0.00 178.44 176.36 2vvn h GLN 401 N 0.12 1.11 -0.29 0.49 5.75 -1.99 -1.42 115.11 118.86 2vvn h GLN 401 Ca -0.06 -0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.28 2vvn h GLN 401 Cb 1.29 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 2vvn h GLN 401 CO 0.13 0.73 -0.19 1.15 -2.65 0.00 0.00 178.83 177.99 2vvn h THR 402 N 1.14 1.30 -0.22 2.39 2.02 -1.25 -0.21 112.91 118.08 2vvn h THR 402 Ca 0.43 -1.32 0.06 0.00 0.77 0.00 0.00 66.41 66.35 2vvn h THR 402 Cb 0.19 1.51 -0.06 0.00 -1.74 0.00 0.00 68.15 68.05 2vvn h THR 402 CO -0.18 0.42 -0.21 -0.25 0.37 0.00 0.00 175.52 175.67 2vvn h TRP 403 N 0.40 -0.54 -0.36 3.16 7.01 -1.08 0.89 115.95 125.43 2vvn h TRP 403 Ca 0.06 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.13 2vvn h TRP 403 Cb 0.74 0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 28.03 2vvn h TRP 403 CO 0.07 -0.28 0.14 0.87 -2.79 0.00 0.00 178.44 176.44 2vvn h LYS 404 N -0.22 0.29 -0.60 2.65 1.57 -1.11 -1.78 116.57 117.37 2vvn h LYS 404 Ca 0.13 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.95 2vvn h LYS 404 Cb 0.41 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 2vvn h LYS 404 CO -0.35 0.19 0.31 -0.44 -0.57 0.00 0.00 179.45 178.60 2vvn h ASP 405 N 0.30 0.43 -0.30 0.86 3.32 -0.76 -1.40 116.42 118.87 2vvn h ASP 405 Ca 0.16 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.26 2vvn h ASP 405 Cb 0.12 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2vvn h ASP 405 CO -0.15 0.28 0.19 0.00 -1.72 0.00 0.00 179.24 177.84 2vvn h ALA 406 N 1.33 0.37 -0.60 3.45 0.00 -0.53 -0.98 119.26 122.31 2vvn h ALA 406 Ca 0.27 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2vvn h ALA 406 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2vvn h ALA 406 CO -0.19 -0.18 0.15 0.82 0.00 0.00 0.00 179.25 179.85 2vvn h ILE 407 N 0.38 1.25 0.00 0.00 2.04 -1.07 0.11 117.51 120.22 2vvn h ILE 407 Ca 0.11 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 2vvn h ILE 407 Cb -0.02 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2vvn h ILE 407 CO -0.04 0.34 -0.29 -0.09 0.00 0.00 0.00 178.15 178.07 2vvn h ARG 408 N 0.87 0.00 -0.02 2.37 2.43 -1.12 0.17 114.38 119.08 2vvn h ARG 408 Ca 0.19 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.19 2vvn h ARG 408 Cb 0.34 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2vvn h ARG 408 CO 0.00 0.29 -0.64 1.15 -1.51 0.00 0.00 179.97 179.26 2vvn h THR 409 N 0.00 1.40 0.16 0.20 2.02 -0.60 -3.10 112.91 112.99 2vvn h THR 409 Ca -0.00 -2.05 -0.31 0.00 0.77 0.00 0.00 66.41 64.82 2vvn h THR 409 Cb 0.77 2.49 0.03 0.00 -1.74 0.00 0.00 68.15 69.70 2vvn h THR 409 CO 0.04 0.61 -1.31 0.40 0.37 0.00 0.00 175.52 175.62 2vvn h ILE 410 N 0.00 1.32 -2.03 3.11 2.04 -0.42 -3.40 117.51 118.14 2vvn h ILE 410 Ca -0.07 -2.62 -0.56 0.00 1.00 0.00 0.00 64.86 62.61 2vvn h ILE 410 Cb 1.33 2.83 -0.40 0.00 -0.74 0.00 0.00 36.82 39.84 2vvn h ILE 410 CO 0.13 0.79 -1.05 -0.11 0.00 0.00 0.00 178.15 177.91 2vvn n LEU 411 N -3.73 0.78 0.18 1.44 7.94 0.58 -4.86 117.00 119.33 2vvn n LEU 411 Ca -0.14 -4.84 0.09 0.00 -1.11 0.00 0.00 56.01 50.01 2vvn n LEU 411 Cb 1.02 0.47 0.61 0.00 0.53 0.00 0.00 43.42 46.05 2vvn n LEU 411 CO 0.58 2.10 1.10 1.55 -1.11 0.00 0.00 177.39 181.61 2vvn h PRO 412 N 3.88 0.09 0.00 1.96 0.13 -1.72 -1.42 132.00 134.91 2vvn h PRO 412 Ca 0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2vvn h PRO 412 Cb 0.86 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2vvn h PRO 412 CO 0.52 0.06 0.00 0.66 -0.23 0.00 0.00 178.00 179.01 2vvn h SER 413 N 0.09 0.00 -0.42 1.44 4.64 -1.93 -3.30 113.55 114.07 2vvn h SER 413 Ca 0.06 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.13 2vvn h SER 413 Cb 0.15 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 61.91 2vvn h SER 413 CO -0.01 0.00 -0.88 0.00 -0.87 0.00 0.00 176.83 175.07 2vvn n ALA 414 N -2.02 2.70 -0.23 5.18 0.00 -0.83 -4.99 120.51 120.32 2vvn n ALA 414 Ca 0.02 -2.32 -0.06 0.00 0.00 0.00 0.00 53.44 51.08 2vvn n ALA 414 Cb 0.35 -0.89 0.05 0.00 0.00 0.00 0.00 19.45 18.95 2vvn n ALA 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vvn h ALA 415 N 2.30 0.83 -0.35 0.00 0.00 -1.37 -0.69 119.26 119.99 2vvn h ALA 415 Ca -0.21 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 2vvn h ALA 415 Cb 1.26 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2vvn h ALA 415 CO 0.15 0.28 -0.27 0.93 0.00 0.00 0.00 179.25 180.33 2vvn h GLU 416 N 0.89 0.71 -0.50 0.00 5.08 -1.91 0.24 114.58 119.09 2vvn h GLU 416 Ca 0.24 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2vvn h GLU 416 Cb -0.08 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2vvn h GLU 416 CO -0.05 0.91 0.03 0.93 -1.00 0.00 0.00 179.01 179.83 2vvn h GLU 417 N 0.61 0.86 -0.49 2.33 3.07 -1.85 -0.56 114.58 118.55 2vvn h GLU 417 Ca 0.08 -0.26 -0.11 0.00 -0.50 0.00 0.00 59.36 58.57 2vvn h GLU 417 Cb 0.77 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 2vvn h GLU 417 CO 0.06 0.88 -0.14 1.25 -1.40 0.00 0.00 179.01 179.66 2vvn h LEU 418 N 0.73 0.98 -0.39 1.33 5.85 -0.81 -1.53 115.31 121.45 2vvn h LEU 418 Ca 0.15 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.57 2vvn h LEU 418 Cb 0.47 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 2vvn h LEU 418 CO 0.02 1.12 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.88 2vvn h GLU 419 N 0.82 0.07 -0.13 1.25 5.08 -0.35 0.34 114.58 121.65 2vvn h GLU 419 Ca 0.12 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2vvn h GLU 419 Cb 0.71 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2vvn h GLU 419 CO 0.05 0.04 -0.05 0.00 -1.00 0.00 0.00 179.01 178.06 2vvn h PHE 421 N -0.02 0.34 -0.89 0.00 3.57 -0.95 -3.00 116.94 115.99 2vvn h PHE 421 Ca 0.07 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2vvn h PHE 421 Cb 0.12 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 2vvn h PHE 421 CO -0.18 0.25 0.49 0.00 -2.23 0.00 0.00 178.31 176.64 2vvn h ALA 422 N 1.06 1.20 -0.48 2.41 0.00 -0.13 -2.89 119.26 120.43 2vvn h ALA 422 Ca 0.09 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2vvn h ALA 422 Cb 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2vvn h ALA 422 CO -0.02 0.65 0.33 1.98 0.00 0.00 0.00 179.25 182.19 2vvn h MET 423 N 1.24 0.24 -0.34 0.00 1.85 -0.87 -1.98 114.93 115.08 2vvn h MET 423 Ca 0.31 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.39 2vvn h MET 423 Cb 0.01 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 31.99 2vvn h MET 423 CO -0.05 0.16 0.00 0.72 -0.40 0.00 0.00 176.91 177.34 2vvn n HIS 424 N -4.46 1.18 -3.13 1.39 8.25 -1.10 -2.43 115.22 114.92 2vvn n HIS 424 Ca 0.07 -0.83 -0.21 0.00 -0.26 0.00 0.00 57.72 56.50 2vvn n HIS 424 Cb 0.37 -0.35 -0.04 0.00 1.12 0.00 0.00 29.99 31.09 2vvn n HIS 424 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2vvn n ASN 425 N -0.20 -0.07 0.00 0.41 4.13 -0.74 -1.31 115.26 117.48 2vvn n ASN 425 Ca 0.23 -2.85 0.00 0.00 1.68 0.00 0.00 54.58 53.63 2vvn n ASN 425 Cb 0.94 -0.31 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 2vvn n ASN 425 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2vvn n SER 426 N 1.15 1.31 -4.88 6.41 3.41 -1.25 -1.14 113.62 118.62 2vvn n SER 426 Ca 0.20 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.51 2vvn n SER 426 Cb 0.57 0.16 0.04 0.00 -0.26 0.00 0.00 64.21 64.73 2vvn n SER 426 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2vvn s ASP 427 N -1.28 5.54 -0.00 4.04 2.15 -1.26 -4.59 116.67 121.28 2vvn s ASP 427 Ca 0.00 1.16 0.15 0.00 0.43 0.00 0.00 52.55 54.29 2vvn s ASP 427 Cb 0.00 -1.99 -0.17 0.00 -0.30 0.00 0.00 42.92 40.46 2vvn s ASP 427 CO 0.00 -1.28 0.63 0.18 -0.17 0.00 0.00 175.17 174.52 2vvn n LEU 428 N -2.98 0.67 -0.64 -1.34 4.32 -1.26 -4.84 117.00 110.93 2vvn n LEU 428 Ca 0.07 -0.47 0.09 0.00 -0.02 0.00 0.00 56.01 55.67 2vvn n LEU 428 Cb 0.57 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.34 2vvn n LEU 428 CO 0.58 0.17 -0.14 0.61 -1.22 0.00 0.00 177.39 177.39 2vvn n GLY 429 N 1.37 -1.71 3.77 -0.72 0.00 -1.26 -4.83 105.19 101.81 2vvn n GLY 429 Ca 0.03 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2vvn n GLY 429 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2vvn n PRO 430 N -2.64 2.71 -3.63 1.61 -0.02 -1.26 -4.90 135.00 126.87 2vvn n PRO 430 Ca -0.00 0.96 -0.10 0.00 -2.02 0.00 0.00 63.50 62.33 2vvn n PRO 430 Cb 0.29 -2.71 -0.04 0.00 -0.02 0.00 0.00 33.50 31.03 2vvn n PRO 430 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2vvn s ASN 431 N 0.06 -0.30 0.43 2.55 2.20 -1.26 -5.04 114.94 113.58 2vvn s ASN 431 Ca 0.56 -0.31 0.30 0.00 -0.94 0.00 0.00 52.86 52.47 2vvn s ASN 431 Cb -0.48 0.53 1.28 0.00 -2.00 0.00 0.00 41.25 40.58 2vvn s ASN 431 CO 0.59 -0.94 1.89 1.23 -2.94 0.00 0.00 177.10 176.93 2vvn h GLY 432 N 2.24 0.00 1.41 0.45 0.00 -1.94 -2.00 103.07 103.23 2vvn h GLY 432 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2vvn h GLY 432 CO 0.42 0.00 -0.35 1.42 0.00 0.00 0.00 176.54 178.03 2vvn n HIS 433 N -2.71 0.26 -1.44 5.60 8.25 -1.26 -4.96 115.22 118.96 2vvn n HIS 433 Ca 0.01 0.08 -0.14 0.00 -0.26 0.00 0.00 57.72 57.40 2vvn n HIS 433 Cb 0.25 -0.51 -0.06 0.00 1.12 0.00 0.00 29.99 30.79 2vvn n HIS 433 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2vvn n GLY 434 N 1.43 1.41 3.73 -1.41 0.00 -0.75 -4.81 105.19 104.79 2vvn n GLY 434 Ca 0.05 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 2vvn n GLY 434 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2vvn s TYR 435 N -2.53 3.42 0.13 1.61 5.04 -1.26 -5.02 117.35 118.73 2vvn s TYR 435 Ca 0.00 0.37 0.04 0.00 -2.44 0.00 0.00 57.07 55.04 2vvn s TYR 435 Cb 0.00 -2.18 -0.04 0.00 0.35 0.00 0.00 41.96 40.08 2vvn s TYR 435 CO 0.00 0.28 -0.10 1.03 -1.34 0.00 0.00 175.55 175.42 2vvn s ARG 436 N 0.37 1.00 0.08 4.97 1.81 -1.26 -4.70 118.95 121.21 2vvn s ARG 436 Ca 0.09 -1.37 0.05 0.00 -1.72 0.00 0.00 55.73 52.78 2vvn s ARG 436 Cb -0.11 -0.58 -0.03 0.00 -0.45 0.00 0.00 34.95 33.78 2vvn s ARG 436 CO -0.01 0.07 -0.13 1.03 -0.68 0.00 0.00 175.30 175.58 2vvn s ARG 437 N -3.52 0.81 0.74 3.54 1.81 -1.26 -4.97 118.95 116.09 2vvn s ARG 437 Ca 0.14 -0.99 -0.14 0.00 -1.72 0.00 0.00 55.73 53.01 2vvn s ARG 437 Cb 0.01 -0.74 0.04 0.00 -0.45 0.00 0.00 34.95 33.81 2vvn s ARG 437 CO 0.00 0.16 1.17 -1.21 -0.68 0.00 0.00 175.30 174.74 2vvn s GLU 438 N -1.95 2.16 -0.19 3.54 2.02 -1.26 -4.27 118.70 118.74 2vvn s GLU 438 Ca -0.01 1.63 -0.22 0.00 0.02 0.00 0.00 54.97 56.39 2vvn s GLU 438 Cb -0.09 -1.85 0.06 0.00 0.10 0.00 0.00 34.13 32.35 2vvn s GLU 438 CO 0.02 -1.79 0.61 -2.00 0.02 0.00 0.00 175.26 172.12 2vvn s GLU 439 N -4.07 0.77 -1.58 1.61 2.12 -1.26 -4.22 118.70 112.06 2vvn s GLU 439 Ca 0.71 0.71 -0.04 0.00 0.36 0.00 0.00 54.97 56.72 2vvn s GLU 439 Cb -0.26 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.51 2vvn s GLU 439 CO 0.46 -0.13 0.42 0.43 -0.54 0.00 0.00 175.26 175.91 2vvn n SER 440 N 2.40 -5.82 0.18 -1.70 7.64 -1.02 -4.73 113.62 110.58 2vvn n SER 440 Ca -0.15 -0.21 0.04 0.00 1.01 0.00 0.00 58.87 59.56 2vvn n SER 440 Cb 0.56 -4.75 0.43 0.00 -1.01 0.00 0.00 64.21 59.44 2vvn n SER 440 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2vvn h MET 441 N -0.96 0.07 -0.34 1.43 2.86 -1.93 -2.41 114.93 113.65 2vvn h MET 441 Ca -0.51 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.15 2vvn h MET 441 Cb 1.36 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.97 2vvn h MET 441 CO 0.56 0.28 0.15 -0.44 1.06 0.00 0.00 176.91 178.53 2vvn h ASP 442 N 0.07 0.21 0.42 1.22 3.45 -1.98 -3.07 116.42 116.74 2vvn h ASP 442 Ca 0.01 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.50 2vvn h ASP 442 Cb 0.42 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 2vvn h ASP 442 CO 0.03 0.16 -0.45 2.30 -1.57 0.00 0.00 179.24 179.71 2vvn n ILE 443 N -4.97 0.00 -0.25 0.35 -5.35 -1.10 -4.40 119.36 103.65 2vvn n ILE 443 Ca 0.01 -0.03 0.05 0.00 -0.27 0.00 0.00 62.75 62.50 2vvn n ILE 443 Cb 0.10 0.30 0.18 0.00 -1.74 0.00 0.00 39.64 38.48 2vvn n ILE 443 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 2vvn h GLN 444 N 0.31 0.39 -0.27 6.28 -0.00 -1.33 -0.35 115.11 120.14 2vvn h GLN 444 Ca 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 2vvn h GLN 444 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.88 2vvn h GLN 444 CO 0.00 0.26 0.16 -1.35 0.00 0.00 0.00 178.83 177.90 2vvn h PRO 445 N 0.40 0.36 -0.48 -2.39 0.11 -1.77 0.59 132.00 128.82 2vvn h PRO 445 Ca 0.40 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.42 2vvn h PRO 445 Cb 0.62 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 2vvn h PRO 445 CO -0.41 0.27 0.04 0.00 -0.21 0.00 0.00 178.00 177.69 2vvn h ALA 446 N 1.06 1.16 0.08 -0.75 0.00 -1.71 -1.50 119.26 117.61 2vvn h ALA 446 Ca 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2vvn h ALA 446 Cb 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2vvn h ALA 446 CO -0.02 0.55 -0.04 0.00 0.00 0.00 0.00 179.25 179.74 2vvn h ALA 447 N 1.31 -0.11 -0.57 0.00 0.00 -1.00 -2.35 119.26 116.54 2vvn h ALA 447 Ca 0.15 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2vvn h ALA 447 Cb 0.39 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2vvn h ALA 447 CO 0.01 -0.46 0.27 1.49 0.00 0.00 0.00 179.25 180.56 2vvn h GLU 448 N -0.32 0.49 -0.22 0.00 4.57 -0.60 -2.16 114.58 116.33 2vvn h GLU 448 Ca -0.01 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 57.99 2vvn h GLU 448 Cb 0.28 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2vvn h GLU 448 CO 0.02 0.32 -0.50 0.00 -1.18 0.00 0.00 179.01 177.68 2vvn h ARG 449 N 0.50 0.59 -0.08 1.92 3.08 -1.32 -1.82 114.38 117.26 2vvn h ARG 449 Ca 0.26 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2vvn h ARG 449 Cb 0.22 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 2vvn h ARG 449 CO -0.21 0.95 0.04 0.35 -1.07 0.00 0.00 179.97 180.04 2vvn h PHE 450 N 0.47 0.12 -0.16 3.04 3.57 -1.10 -1.86 116.94 121.01 2vvn h PHE 450 Ca 0.02 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.33 2vvn h PHE 450 Cb 1.03 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 2vvn h PHE 450 CO 0.04 0.17 -0.66 1.25 -2.23 0.00 0.00 178.31 176.89 2vvn h LEU 451 N 0.02 0.71 0.33 0.59 5.85 -1.41 0.23 115.31 121.64 2vvn h LEU 451 Ca 0.03 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2vvn h LEU 451 Cb 0.10 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2vvn h LEU 451 CO -0.00 1.18 -0.39 0.50 -0.34 0.00 0.00 178.44 179.39 2vvn h LYS 452 N 0.45 -0.73 0.72 1.25 3.64 -1.33 -1.90 116.57 118.66 2vvn h LYS 452 Ca -0.02 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2vvn h LYS 452 Cb 1.24 0.17 0.01 0.00 -0.41 0.00 0.00 32.23 33.24 2vvn h LYS 452 CO 0.13 -0.49 -0.36 0.00 -2.27 0.00 0.00 179.45 176.46 2vvn h ALA 453 N -0.34 -0.99 -1.00 5.00 0.00 -1.31 -3.25 119.26 117.37 2vvn h ALA 453 Ca -0.02 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.81 2vvn h ALA 453 Cb 0.70 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 2vvn h ALA 453 CO -0.10 -1.06 0.63 0.35 0.00 0.00 0.00 179.25 179.06 2vvn h PHE 454 N -0.99 1.13 0.00 0.00 3.57 -0.96 0.38 116.94 120.07 2vvn h PHE 454 Ca -0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2vvn h PHE 454 Cb 0.77 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2vvn h PHE 454 CO -0.04 0.42 0.00 1.63 -2.23 0.00 0.00 178.31 178.10 2vvn n LYS 455 N -4.64 0.31 -1.94 1.11 5.02 -0.72 -3.74 118.16 113.57 2vvn n LYS 455 Ca 0.19 0.09 -0.04 0.00 -2.02 0.00 0.00 58.31 56.53 2vvn n LYS 455 Cb 0.38 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.95 2vvn n LYS 455 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2vvn n GLU 456 N -1.16 1.83 -2.30 1.97 1.02 0.13 -5.00 120.64 117.12 2vvn n GLU 456 Ca 0.09 -3.32 -0.01 0.00 -0.02 0.00 0.00 57.16 53.90 2vvn n GLU 456 Cb 0.09 -1.44 -0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2vvn n GLU 456 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vvn n GLY 457 N -0.48 -0.44 3.34 0.62 0.00 -1.24 -4.84 105.19 102.15 2vvn n GLY 457 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2vvn n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vvn s LYS 458 N -4.47 1.32 -0.12 1.61 1.02 -1.19 -5.05 119.74 112.85 2vvn s LYS 458 Ca 0.01 -1.25 -0.22 0.00 0.02 0.00 0.00 55.97 54.53 2vvn s LYS 458 Cb -0.01 -1.70 -0.03 0.00 -0.52 0.00 0.00 37.83 35.58 2vvn s LYS 458 CO 0.01 0.40 0.67 -0.80 -0.92 0.00 0.00 175.35 174.71 2vvn s ASN 459 N -1.93 6.86 0.59 2.83 -0.87 -1.26 -3.95 114.94 117.20 2vvn s ASN 459 Ca 0.11 1.03 -0.15 0.00 -1.57 0.00 0.00 52.86 52.29 2vvn s ASN 459 Cb -0.10 -2.38 -0.04 0.00 -0.02 0.00 0.00 41.25 38.70 2vvn s ASN 459 CO 0.05 -0.18 1.03 -0.72 -2.57 0.00 0.00 177.10 174.71 2vvn s TYR 460 N 1.28 3.25 0.10 2.20 -0.85 -1.26 -4.97 117.35 117.10 2vvn s TYR 460 Ca 0.34 1.45 -0.31 0.00 -0.52 0.00 0.00 57.07 58.03 2vvn s TYR 460 Cb -0.17 -2.88 -0.07 0.00 0.38 0.00 0.00 41.96 39.23 2vvn s TYR 460 CO 0.14 -0.83 1.23 0.34 -1.52 0.00 0.00 175.55 174.92 2vvn s ASP 461 N -3.24 7.03 0.23 -0.18 3.68 -1.26 -4.93 116.67 117.99 2vvn s ASP 461 Ca 0.60 2.12 -0.07 0.00 2.13 0.00 0.00 52.55 57.33 2vvn s ASP 461 Cb -0.13 -2.59 0.27 0.00 -1.45 0.00 0.00 42.92 39.02 2vvn s ASP 461 CO 0.40 -0.48 1.85 0.50 0.13 0.00 0.00 175.17 177.57 2vvn h LYS 462 N 6.47 0.92 -0.18 4.34 3.11 -2.00 -1.94 116.57 127.29 2vvn h LYS 462 Ca -0.42 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.34 2vvn h LYS 462 Cb 1.21 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 32.22 2vvn h LYS 462 CO 0.81 0.61 0.01 0.00 -2.81 0.00 0.00 179.45 178.06 2vvn h ALA 463 N 1.36 1.69 -0.25 5.00 0.00 -1.99 -0.88 119.26 124.19 2vvn h ALA 463 Ca 0.34 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2vvn h ALA 463 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2vvn h ALA 463 CO -0.14 0.24 -0.23 -0.44 0.00 0.00 0.00 179.25 178.68 2vvn h ASP 464 N 0.25 0.64 -0.79 0.00 3.32 -1.72 -0.91 116.42 117.20 2vvn h ASP 464 Ca 0.06 -0.46 0.02 0.00 0.02 0.00 0.00 57.03 56.67 2vvn h ASP 464 Cb 0.16 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 2vvn h ASP 464 CO 0.00 0.97 0.51 0.15 -1.72 0.00 0.00 179.24 179.16 2vvn h PHE 465 N 0.32 0.97 -0.58 4.55 3.57 -0.99 -2.28 116.94 122.50 2vvn h PHE 465 Ca 0.04 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 2vvn h PHE 465 Cb 0.78 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2vvn h PHE 465 CO 0.07 0.58 0.10 0.93 -2.23 0.00 0.00 178.31 177.77 2vvn h GLU 466 N 1.02 0.95 -0.46 1.11 5.08 -1.14 -1.46 114.58 119.67 2vvn h GLU 466 Ca 0.31 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2vvn h GLU 466 Cb -0.05 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 2vvn h GLU 466 CO -0.09 0.90 0.15 1.15 -1.00 0.00 0.00 179.01 180.12 2vvn h THR 467 N 0.85 0.83 -0.25 1.13 2.02 -0.88 0.25 112.91 116.85 2vvn h THR 467 Ca 0.18 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2vvn h THR 467 Cb 0.40 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2vvn h THR 467 CO 0.01 0.06 0.07 -0.07 0.37 0.00 0.00 175.52 175.95 2vvn h LEU 468 N 0.31 0.37 -0.45 2.58 3.38 -1.31 -0.42 115.31 119.78 2vvn h LEU 468 Ca 0.22 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2vvn h LEU 468 Cb 0.24 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 2vvn h LEU 468 CO -0.24 0.50 -0.09 -0.61 0.09 0.00 0.00 178.44 178.09 2vvn h GLN 469 N 0.23 0.02 -0.73 1.13 4.15 -0.97 -0.99 115.11 117.95 2vvn h GLN 469 Ca 0.08 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 2vvn h GLN 469 Cb 0.27 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 2vvn h GLN 469 CO -0.00 0.01 0.42 -0.92 -1.93 0.00 0.00 178.83 176.41 2vvn h TYR 470 N 0.02 0.98 -0.04 3.99 3.20 -0.24 -1.90 116.97 122.97 2vvn h TYR 470 Ca 0.22 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.08 2vvn h TYR 470 Cb 0.33 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2vvn h TYR 470 CO -0.37 0.67 0.01 1.15 -1.64 0.00 0.00 178.16 177.97 2vvn h THR 471 N 1.00 0.98 -0.73 1.81 2.02 -0.61 -0.69 112.91 116.68 2vvn h THR 471 Ca 0.26 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.38 2vvn h THR 471 Cb -0.00 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2vvn h THR 471 CO -0.05 0.00 0.25 -0.26 0.37 0.00 0.00 175.52 175.84 2vvn h PHE 472 N 0.02 1.14 -0.13 3.16 0.04 -0.96 -0.23 116.94 119.98 2vvn h PHE 472 Ca 0.02 -0.10 0.01 0.00 2.80 0.00 0.00 57.97 60.69 2vvn h PHE 472 Cb 0.02 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 37.82 2vvn h PHE 472 CO -0.10 0.89 0.06 1.49 -0.60 0.00 0.00 178.31 180.06 2vvn h GLU 473 N 1.07 0.13 -0.56 1.51 4.81 -1.12 -2.49 114.58 117.95 2vvn h GLU 473 Ca 0.24 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2vvn h GLU 473 Cb 0.27 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 2vvn h GLU 473 CO -0.01 0.09 0.26 -0.09 -0.73 0.00 0.00 179.01 178.53 2vvn h ARG 474 N 0.14 0.79 -0.55 1.92 9.65 -0.69 -2.43 114.38 123.21 2vvn h ARG 474 Ca 0.05 -0.10 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2vvn h ARG 474 Cb 0.01 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.41 2vvn h ARG 474 CO -0.03 0.62 0.33 0.52 2.80 0.00 0.00 179.97 184.21 2vvn h MET 475 N 0.79 0.75 -0.50 0.20 2.86 -0.80 -1.55 114.93 116.67 2vvn h MET 475 Ca 0.19 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 2vvn h MET 475 Cb 0.10 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 2vvn h MET 475 CO -0.02 0.54 -0.11 0.87 1.06 0.00 0.00 176.91 179.25 2vvn h LYS 476 N 0.74 0.96 -0.18 1.72 1.57 -1.15 -0.47 116.57 119.77 2vvn h LYS 476 Ca 0.20 -0.36 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2vvn h LYS 476 Cb -0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2vvn h LYS 476 CO -0.04 1.03 0.07 0.93 -0.57 0.00 0.00 179.45 180.87 2vvn h GLU 477 N 0.82 0.15 -0.04 3.15 5.08 -1.30 -1.40 114.58 121.05 2vvn h GLU 477 Ca 0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2vvn h GLU 477 Cb 0.66 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2vvn h GLU 477 CO 0.05 0.10 0.02 0.77 -1.00 0.00 0.00 179.01 178.95 2vvn h SER 478 N 0.16 0.03 0.04 1.42 0.02 -1.11 -1.41 113.55 112.70 2vvn h SER 478 Ca 0.07 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2vvn h SER 478 Cb 0.04 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2vvn h SER 478 CO -0.07 0.02 -0.12 0.00 -1.14 0.00 0.00 176.83 175.53 2vvn h ALA 479 N 1.02 -0.17 -0.80 3.77 0.00 -1.01 -0.13 119.26 121.95 2vvn h ALA 479 Ca 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2vvn h ALA 479 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2vvn h ALA 479 CO -0.01 -0.62 0.35 -0.44 0.00 0.00 0.00 179.25 178.52 2vvn h ASP 480 N -0.22 1.07 -0.34 0.00 3.32 -1.18 -1.42 116.42 117.65 2vvn h ASP 480 Ca 0.03 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.82 2vvn h ASP 480 Cb 0.25 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2vvn h ASP 480 CO -0.09 0.93 -0.21 0.40 -1.72 0.00 0.00 179.24 178.56 2vvn h ILE 481 N 1.15 1.29 -0.59 0.35 2.04 -1.11 -3.15 117.51 117.49 2vvn h ILE 481 Ca 0.27 -1.34 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 2vvn h ILE 481 Cb 0.17 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 2vvn h ILE 481 CO -0.03 0.44 0.32 -0.07 0.00 0.00 0.00 178.15 178.81 2vvn h LEU 482 N 0.51 0.74 -0.96 1.44 3.38 -0.87 -2.45 115.31 117.09 2vvn h LEU 482 Ca 0.07 -0.10 0.20 0.00 0.09 0.00 0.00 57.88 58.14 2vvn h LEU 482 Cb 0.76 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.21 2vvn h LEU 482 CO 0.06 0.62 0.55 -0.07 0.09 0.00 0.00 178.44 179.69 2vvn h LEU 483 N 0.79 0.66 -0.87 1.67 3.38 -1.25 -2.07 115.31 117.62 2vvn h LEU 483 Ca 0.21 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2vvn h LEU 483 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2vvn h LEU 483 CO -0.03 0.20 -0.23 0.23 0.09 0.00 0.00 178.44 178.70 2vvn n MET 484 N -4.85 1.26 -2.30 1.13 2.81 -1.12 -4.94 117.12 109.12 2vvn n MET 484 Ca 0.23 -0.87 -0.42 0.00 -1.81 0.00 0.00 57.70 54.83 2vvn n MET 484 Cb 0.59 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.59 2vvn n MET 484 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2vvn s ASN 485 N -2.33 6.97 -0.06 7.83 3.84 -0.78 -4.92 114.94 125.49 2vvn s ASN 485 Ca 0.26 2.18 0.09 0.00 0.21 0.00 0.00 52.86 55.61 2vvn s ASN 485 Cb 0.19 -2.59 0.19 0.00 -0.55 0.00 0.00 41.25 38.50 2vvn s ASN 485 CO 0.47 -0.54 1.13 0.35 -2.79 0.00 0.00 177.10 175.72 2vvn n THR 486 N 3.71 1.41 0.02 -5.21 -2.24 -1.26 -4.61 114.28 106.09 2vvn n THR 486 Ca 0.09 -1.48 -0.19 0.00 -2.27 0.00 0.00 64.05 60.20 2vvn n THR 486 Cb 0.44 0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.77 2vvn n THR 486 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2vvn h GLU 487 N 0.49 0.63 -2.77 -0.78 4.81 -1.99 -3.38 114.58 111.60 2vvn h GLU 487 Ca 0.00 -0.65 -0.61 0.00 -0.13 0.00 0.00 59.36 57.97 2vvn h GLU 487 Cb 0.79 0.18 -0.40 0.00 0.63 0.00 0.00 28.75 29.95 2vvn h GLU 487 CO 0.02 1.25 -0.77 1.21 -0.73 0.00 0.00 179.01 180.00 2vvn s ASN 488 N -7.11 3.19 0.20 1.04 3.84 -1.26 -4.98 114.94 109.86 2vvn s ASN 488 Ca -0.11 -3.27 -0.10 0.00 0.21 0.00 0.00 52.86 49.59 2vvn s ASN 488 Cb 0.06 -1.01 0.14 0.00 -0.55 0.00 0.00 41.25 39.89 2vvn s ASN 488 CO 0.89 -0.16 1.82 0.11 -2.79 0.00 0.00 177.10 176.97 2vvn h LYS 489 N 5.78 1.04 -0.93 0.43 1.57 -1.82 -2.59 116.57 120.06 2vvn h LYS 489 Ca 0.16 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2vvn h LYS 489 Cb 0.85 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 2vvn h LYS 489 CO 0.52 0.78 0.61 -1.35 -0.57 0.00 0.00 179.45 179.44 2vvn h PRO 490 N 1.03 1.13 -0.15 3.15 0.11 -1.96 -0.64 132.00 134.67 2vvn h PRO 490 Ca 0.26 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2vvn h PRO 490 Cb 0.04 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 2vvn h PRO 490 CO -0.04 0.75 0.10 1.25 -0.21 0.00 0.00 178.00 179.85 2vvn h LEU 491 N 1.17 0.17 -0.65 2.35 5.85 -1.89 -2.18 115.31 120.13 2vvn h LEU 491 Ca 0.37 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 2vvn h LEU 491 Cb 0.02 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2vvn h LEU 491 CO -0.11 0.12 0.37 0.40 -0.34 0.00 0.00 178.44 178.88 2vvn h ILE 492 N 0.20 1.20 -0.28 4.05 1.08 -0.99 -1.99 117.51 120.78 2vvn h ILE 492 Ca 0.06 -0.48 0.06 0.00 -0.39 0.00 0.00 64.86 64.11 2vvn h ILE 492 Cb -0.02 0.33 -0.06 0.00 -3.07 0.00 0.00 36.82 34.00 2vvn h ILE 492 CO -0.02 0.21 -0.10 0.58 -0.69 0.00 0.00 178.15 178.14 2vvn h VAL 493 N 0.89 0.65 -0.31 1.67 2.07 -1.03 0.35 116.25 120.54 2vvn h VAL 493 Ca 0.23 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.81 2vvn h VAL 493 Cb 0.01 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 2vvn h VAL 493 CO -0.04 0.00 -0.03 -0.33 0.02 0.00 0.00 177.57 177.19 2vvn h GLU 494 N -0.05 0.05 -0.00 1.57 5.08 -0.96 -3.17 114.58 117.11 2vvn h GLU 494 Ca 0.14 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2vvn h GLU 494 Cb 0.26 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2vvn h GLU 494 CO -0.31 0.03 -0.46 0.44 -1.00 0.00 0.00 179.01 177.71 2vvn n ILE 495 N -5.20 0.00 -0.26 3.13 -5.35 -0.79 -4.56 119.36 106.33 2vvn n ILE 495 Ca 0.00 -0.01 0.06 0.00 -0.27 0.00 0.00 62.75 62.53 2vvn n ILE 495 Cb 0.17 0.22 0.17 0.00 -1.74 0.00 0.00 39.64 38.45 2vvn n ILE 495 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2vvn h THR 496 N 0.06 0.35 -0.57 7.28 2.02 -0.90 0.17 112.91 121.33 2vvn h THR 496 Ca 0.00 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 2vvn h THR 496 Cb 0.50 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 2vvn h THR 496 CO 0.00 0.02 0.16 -0.65 0.37 0.00 0.00 175.52 175.42 2vvn h PRO 497 N 0.12 0.86 -0.32 6.66 0.11 -1.83 -1.10 132.00 136.50 2vvn h PRO 497 Ca 0.42 -0.17 -0.14 0.00 0.11 0.00 0.00 66.00 66.22 2vvn h PRO 497 Cb 0.75 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 2vvn h PRO 497 CO -0.65 0.76 -0.37 -1.49 -0.21 0.00 0.00 178.00 176.04 2vvn h TRP 498 N 0.84 0.89 -0.31 0.65 6.55 -1.58 -2.32 115.95 120.67 2vvn h TRP 498 Ca 0.19 -0.25 0.03 0.00 0.95 0.00 0.00 58.89 59.80 2vvn h TRP 498 Cb 0.27 -0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.35 2vvn h TRP 498 CO 0.02 1.01 0.12 0.28 -1.05 0.00 0.00 178.44 178.81 2vvn h VAL 499 N 0.62 0.94 -0.57 1.49 2.07 -0.54 0.14 116.25 120.40 2vvn h VAL 499 Ca 0.06 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2vvn h VAL 499 Cb 0.91 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2vvn h VAL 499 CO 0.08 0.05 0.30 0.45 0.02 0.00 0.00 177.57 178.47 2vvn h HIS 500 N 0.26 0.54 -0.54 1.57 3.86 -1.08 -1.23 115.15 118.53 2vvn h HIS 500 Ca 0.13 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.29 2vvn h HIS 500 Cb 0.09 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 2vvn h HIS 500 CO -0.12 0.26 0.03 0.37 0.86 0.00 0.00 177.93 179.32 2vvn h GLN 501 N 0.56 0.90 -0.23 2.45 5.75 -1.00 -1.87 115.11 121.68 2vvn h GLN 501 Ca 0.26 -0.25 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2vvn h GLN 501 Cb 0.17 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 2vvn h GLN 501 CO -0.18 0.88 0.07 0.35 -2.65 0.00 0.00 178.83 177.31 2vvn h PHE 502 N 0.84 0.37 -0.35 3.99 3.57 -0.43 -0.79 116.94 124.14 2vvn h PHE 502 Ca 0.16 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.64 2vvn h PHE 502 Cb 0.46 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2vvn h PHE 502 CO 0.03 0.43 0.20 -0.22 -2.23 0.00 0.00 178.31 176.52 2vvn h LYS 503 N 0.20 0.39 -0.79 1.11 3.64 -1.09 -2.04 116.57 117.99 2vvn h LYS 503 Ca 0.07 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 2vvn h LYS 503 Cb 0.24 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 2vvn h LYS 503 CO -0.00 0.26 0.49 -0.07 -2.27 0.00 0.00 179.45 177.86 2vvn h LEU 504 N 0.40 0.79 -0.34 5.20 3.38 -1.18 -0.71 115.31 122.87 2vvn h LEU 504 Ca 0.14 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.17 2vvn h LEU 504 Cb 0.01 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 2vvn h LEU 504 CO -0.07 0.53 0.05 0.74 0.09 0.00 0.00 178.44 179.77 2vvn h THR 505 N 0.93 0.81 -0.56 0.22 2.02 -0.83 0.57 112.91 116.06 2vvn h THR 505 Ca 0.33 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.41 2vvn h THR 505 Cb 0.09 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 2vvn h THR 505 CO -0.14 0.03 0.16 0.00 0.37 0.00 0.00 175.52 175.93 2vvn h ALA 506 N 1.26 0.74 -0.59 6.16 0.00 -0.77 0.05 119.26 126.11 2vvn h ALA 506 Ca 0.16 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2vvn h ALA 506 Cb 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2vvn h ALA 506 CO -0.23 0.42 0.39 0.93 0.00 0.00 0.00 179.25 180.76 2vvn h GLU 507 N 0.80 0.78 -0.50 0.00 5.08 -0.70 -1.73 114.58 118.31 2vvn h GLU 507 Ca 0.18 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2vvn h GLU 507 Cb 0.31 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2vvn h GLU 507 CO -0.00 0.51 0.25 1.98 -1.00 0.00 0.00 179.01 180.75 2vvn h MET 508 N 0.80 0.71 -0.73 2.33 4.05 -0.53 -1.84 114.93 119.73 2vvn h MET 508 Ca 0.22 -0.10 0.13 0.00 -0.28 0.00 0.00 59.70 59.67 2vvn h MET 508 Cb -0.09 -0.13 -0.09 0.00 -0.80 0.00 0.00 31.60 30.49 2vvn h MET 508 CO -0.05 0.59 0.29 0.78 0.23 0.00 0.00 176.91 178.75 2vvn h GLY 509 N 0.66 1.09 0.93 1.39 0.00 -0.67 -0.04 103.07 106.44 2vvn h GLY 509 Ca 0.17 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 2vvn h GLY 509 CO -0.02 -0.07 -0.11 0.83 0.00 0.00 0.00 176.54 177.17 2vvn h GLU 510 N 0.45 0.66 -0.51 4.80 5.08 -0.89 -1.84 114.58 122.34 2vvn h GLU 510 Ca 0.39 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2vvn h GLU 510 Cb 0.57 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2vvn h GLU 510 CO -0.38 0.85 0.20 0.93 -1.00 0.00 0.00 179.01 179.60 2vvn h GLU 511 N 0.44 0.76 -0.60 2.33 4.39 -0.94 -1.76 114.58 119.20 2vvn h GLU 511 Ca 0.08 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2vvn h GLU 511 Cb 0.62 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 2vvn h GLU 511 CO 0.04 0.68 0.27 0.28 -1.16 0.00 0.00 179.01 179.12 2vvn h VAL 512 N 0.68 1.20 -0.13 3.13 2.07 -0.92 -1.36 116.25 120.93 2vvn h VAL 512 Ca 0.17 -0.58 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 2vvn h VAL 512 Cb 0.20 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2vvn h VAL 512 CO -0.01 0.24 -0.39 -0.07 0.02 0.00 0.00 177.57 177.36 2vvn h LEU 513 N 0.84 0.28 -1.01 2.57 3.38 -1.11 -2.00 115.31 118.27 2vvn h LEU 513 Ca 0.21 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2vvn h LEU 513 Cb 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2vvn h LEU 513 CO -0.03 0.65 -0.22 0.11 0.09 0.00 0.00 178.44 179.05 2vvn h LYS 514 N 0.23 0.46 -0.63 1.13 1.57 -0.49 -2.33 116.57 116.51 2vvn h LYS 514 Ca 0.02 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 2vvn h LYS 514 Cb 0.79 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 2vvn h LYS 514 CO 0.06 0.65 0.23 0.52 -0.57 0.00 0.00 179.45 180.35 2vvn h MET 515 N 0.41 0.95 -0.57 3.15 2.86 -0.67 0.25 114.93 121.31 2vvn h MET 515 Ca 0.07 -0.18 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2vvn h MET 515 Cb 0.61 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 2vvn h MET 515 CO 0.04 0.81 0.35 0.28 1.06 0.00 0.00 176.91 179.46 2vvn h VAL 516 N 0.88 1.08 -0.44 -2.22 2.07 -1.18 -2.61 116.25 113.84 2vvn h VAL 516 Ca 0.21 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.36 2vvn h VAL 516 Cb 0.23 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2vvn h VAL 516 CO -0.01 0.13 -0.22 -0.33 0.02 0.00 0.00 177.57 177.15 2vvn h GLU 517 N 0.70 0.90 -6.18 1.57 5.08 -1.25 -3.48 114.58 111.93 2vvn h GLU 517 Ca 0.22 -0.38 -0.45 0.00 -1.00 0.00 0.00 59.36 57.75 2vvn h GLU 517 Cb -0.00 -0.03 -0.24 0.00 0.50 0.00 0.00 28.75 28.98 2vvn h GLU 517 CO -0.09 1.03 -0.67 0.41 -1.00 0.00 0.00 179.01 178.70 2vvn n GLY 518 N -0.16 -0.22 0.20 -3.84 0.00 0.86 -4.89 105.19 97.15 2vvn n GLY 518 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.16 2vvn n GLY 518 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2vvn n ARG 519 N -3.23 -0.05 -4.04 1.61 1.85 -1.26 -4.62 116.66 106.92 2vvn n ARG 519 Ca -0.02 0.87 -0.11 0.00 -1.00 0.00 0.00 57.85 57.59 2vvn n ARG 519 Cb 0.38 -1.35 -0.05 0.00 -1.05 0.00 0.00 32.46 30.40 2vvn n ARG 519 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2vvn s ASN 520 N -5.08 0.23 0.19 2.89 2.20 -1.26 -5.06 114.94 109.05 2vvn s ASN 520 Ca -0.08 -1.15 -0.12 0.00 -0.94 0.00 0.00 52.86 50.56 2vvn s ASN 520 Cb 0.16 0.59 0.13 0.00 -2.00 0.00 0.00 41.25 40.13 2vvn s ASN 520 CO 0.45 -1.17 1.84 -0.08 -2.94 0.00 0.00 177.10 175.20 2vvn h GLU 521 N 2.25 0.76 -0.22 3.55 4.81 -2.00 -0.83 114.58 122.91 2vvn h GLU 521 Ca -0.28 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2vvn h GLU 521 Cb 1.25 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2vvn h GLU 521 CO 0.39 0.50 0.12 1.03 -0.73 0.00 0.00 179.01 180.32 2vvn h SER 522 N 0.78 0.27 -0.36 1.04 0.87 -1.97 -2.05 113.55 112.13 2vvn h SER 522 Ca 0.24 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2vvn h SER 522 Cb -0.03 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2vvn h SER 522 CO -0.08 0.27 0.15 0.22 -0.53 0.00 0.00 176.83 176.86 2vvn h TYR 523 N 0.24 0.54 -0.87 2.24 3.20 -1.88 -2.27 116.97 118.18 2vvn h TYR 523 Ca 0.08 -0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.02 2vvn h TYR 523 Cb 0.06 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.09 2vvn h TYR 523 CO -0.04 0.50 0.50 0.35 -1.64 0.00 0.00 178.16 177.83 2vvn h PHE 524 N 0.43 0.91 -0.10 -3.82 3.57 -1.05 -1.51 116.94 115.37 2vvn h PHE 524 Ca 0.12 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.53 2vvn h PHE 524 Cb 0.18 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 2vvn h PHE 524 CO -0.00 0.34 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.89 2vvn h LEU 525 N 0.81 0.27 -0.35 0.59 3.38 -1.11 -0.54 115.31 118.35 2vvn h LEU 525 Ca 0.43 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.19 2vvn h LEU 525 Cb 0.45 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2vvn h LEU 525 CO -0.27 0.69 -0.14 0.03 0.09 0.00 0.00 178.44 178.84 2vvn h ARG 526 N 0.21 0.71 -0.51 1.13 3.08 -0.81 -1.71 114.38 116.47 2vvn h ARG 526 Ca 0.01 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 2vvn h ARG 526 Cb 0.89 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 2vvn h ARG 526 CO 0.07 0.89 0.04 0.87 -1.07 0.00 0.00 179.97 180.78 2vvn h LYS 527 N 0.49 0.87 -0.32 0.04 1.79 -1.10 -1.55 116.57 116.78 2vvn h LYS 527 Ca 0.08 -0.26 0.03 0.00 -2.18 0.00 0.00 60.65 58.33 2vvn h LYS 527 Cb 0.67 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.19 2vvn h LYS 527 CO 0.05 0.88 0.12 -0.92 -1.08 0.00 0.00 179.45 178.50 2vvn h TYR 528 N 0.75 0.21 -0.59 -1.35 3.20 -1.05 -0.58 116.97 117.56 2vvn h TYR 528 Ca 0.15 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 2vvn h TYR 528 Cb 0.46 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 2vvn h TYR 528 CO 0.03 0.09 0.14 -0.91 -1.64 0.00 0.00 178.16 175.88 2vvn h ASN 529 N 0.26 0.86 -0.27 -2.11 2.35 -1.23 -1.56 115.58 113.88 2vvn h ASN 529 Ca 0.14 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2vvn h ASN 529 Cb 0.11 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2vvn h ASN 529 CO -0.14 0.84 0.14 -0.74 -1.65 0.00 0.00 177.43 175.88 2vvn h HIS 530 N 0.88 0.37 -0.32 1.19 2.76 -0.98 -2.20 115.15 116.85 2vvn h HIS 530 Ca 0.19 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.40 2vvn h HIS 530 Cb 0.32 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.12 2vvn h HIS 530 CO 0.02 0.32 0.03 0.28 -1.30 0.00 0.00 177.93 177.28 2vvn h VAL 531 N 0.32 0.80 -0.82 5.26 2.07 -0.94 0.02 116.25 122.95 2vvn h VAL 531 Ca 0.09 -0.05 0.13 0.00 0.82 0.00 0.00 66.70 67.69 2vvn h VAL 531 Cb 0.07 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 30.41 2vvn h VAL 531 CO -0.01 0.02 0.43 0.11 0.02 0.00 0.00 177.57 178.14 2vvn h LYS 532 N 0.14 0.64 -0.32 1.57 1.79 -1.18 0.12 116.57 119.33 2vvn h LYS 532 Ca 0.15 -0.04 -0.16 0.00 -2.18 0.00 0.00 60.65 58.42 2vvn h LYS 532 Cb 0.19 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2vvn h LYS 532 CO -0.23 0.42 -0.45 0.00 -1.08 0.00 0.00 179.45 178.11 2vvn h ALA 533 N 1.52 0.60 -0.81 3.86 0.00 -0.77 -2.06 119.26 121.60 2vvn h ALA 533 Ca 0.43 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2vvn h ALA 533 Cb 0.54 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2vvn h ALA 533 CO -0.32 0.68 0.49 -0.07 0.00 0.00 0.00 179.25 180.02 2vvn h LEU 534 N 0.66 0.97 -0.55 0.00 3.38 -0.29 -0.89 115.31 118.59 2vvn h LEU 534 Ca 0.04 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2vvn h LEU 534 Cb 1.03 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 2vvn h LEU 534 CO 0.10 0.75 0.27 1.56 0.09 0.00 0.00 178.44 181.22 2vvn h GLN 535 N 1.11 0.51 -0.86 1.13 4.20 -0.61 -1.35 115.11 119.24 2vvn h GLN 535 Ca 0.29 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 2vvn h GLN 535 Cb -0.04 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.58 2vvn h GLN 535 CO -0.05 0.33 0.46 1.96 -0.67 0.00 0.00 178.83 180.86 2vvn h GLN 536 N 0.52 1.20 -0.71 1.46 4.20 -1.04 -1.52 115.11 119.22 2vvn h GLN 536 Ca 0.25 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 2vvn h GLN 536 Cb 0.18 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2vvn h GLN 536 CO -0.18 0.88 0.23 1.96 -0.67 0.00 0.00 178.83 181.04 2vvn h GLN 537 N 1.20 1.10 -0.69 1.46 4.20 -0.55 -1.14 115.11 120.68 2vvn h GLN 537 Ca 0.30 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 2vvn h GLN 537 Cb 0.04 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2vvn h GLN 537 CO -0.05 0.94 0.21 0.52 -0.67 0.00 0.00 178.83 179.79 2vvn h MET 538 N 1.04 1.07 -0.50 1.46 2.86 -0.99 -1.40 114.93 118.46 2vvn h MET 538 Ca 0.23 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2vvn h MET 538 Cb 0.30 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 2vvn h MET 538 CO -0.01 0.92 0.31 0.35 1.06 0.00 0.00 176.91 179.54 2vvn h PHE 539 N 1.03 0.58 -0.17 -0.22 3.57 -1.03 -1.51 116.94 119.18 2vvn h PHE 539 Ca 0.23 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 2vvn h PHE 539 Cb 0.30 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2vvn h PHE 539 CO 0.02 0.34 -0.31 1.88 -2.23 0.00 0.00 178.31 178.01 2vvn h TYR 540 N 0.62 0.39 -0.66 0.41 -1.99 -0.74 -1.35 116.97 113.65 2vvn h TYR 540 Ca 0.20 -0.09 -0.04 0.00 2.00 0.00 0.00 58.73 60.80 2vvn h TYR 540 Cb -0.00 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 38.60 2vvn h TYR 540 CO -0.06 0.63 0.27 0.82 -0.00 0.00 0.00 178.16 179.82 2vvn h ILE 541 N 0.30 1.24 0.00 -2.88 2.04 -1.05 -2.30 117.51 114.87 2vvn h ILE 541 Ca 0.04 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 2vvn h ILE 541 Cb 0.71 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2vvn h ILE 541 CO 0.05 0.29 -0.09 -0.78 0.00 0.00 0.00 178.15 177.63 2vvn h ASP 542 N 0.94 0.00 0.00 1.72 3.58 -0.70 -0.48 116.42 121.47 2vvn h ASP 542 Ca 0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2vvn h ASP 542 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2vvn h ASP 542 CO -0.02 0.09 -1.58 0.00 -2.88 0.00 0.00 179.24 174.85 2vvn n GLN 543 N -3.30 0.46 -0.01 0.28 1.13 -0.56 -3.78 117.38 111.60 2vvn n GLN 543 Ca -0.00 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 2vvn n GLN 543 Cb 0.30 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.11 2vvn n GLN 543 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2vvn n THR 544 N -1.94 0.16 -3.80 5.09 -2.24 -0.88 -4.94 114.28 105.72 2vvn n THR 544 Ca -0.01 -0.17 -0.34 0.00 -2.27 0.00 0.00 64.05 61.27 2vvn n THR 544 Cb 0.46 -0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.46 2vvn n THR 544 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2vvn s SER 545 N -3.09 6.45 -1.28 3.42 0.01 -0.22 -4.62 113.70 114.38 2vvn s SER 545 Ca -0.02 0.48 -0.03 0.00 1.31 0.00 0.00 55.95 57.69 2vvn s SER 545 Cb 0.03 -2.06 -0.01 0.00 0.21 0.00 0.00 66.02 64.19 2vvn s SER 545 CO 0.22 0.24 0.69 -3.20 0.41 0.00 0.00 173.24 171.60 2vvn n ASN 546 N 0.95 -1.85 -3.77 2.44 5.15 -1.26 -3.21 115.26 113.71 2vvn n ASN 546 Ca -0.10 -0.86 -0.42 0.00 -0.60 0.00 0.00 54.58 52.60 2vvn n ASN 546 Cb 0.53 -3.92 0.00 0.00 -0.53 0.00 0.00 39.78 35.86 2vvn n ASN 546 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vvn n GLN 547 N -4.22 3.56 -2.21 1.20 1.13 -1.26 -0.84 117.38 114.74 2vvn n GLN 547 Ca -0.27 -3.27 -0.29 0.00 -1.94 0.00 0.00 57.00 51.23 2vvn n GLN 547 Cb 0.67 -2.97 0.02 0.00 0.11 0.00 0.00 30.24 28.07 2vvn n GLN 547 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2vvn s ASN 548 N 1.33 5.94 0.35 1.08 2.20 -1.26 -4.99 114.94 119.59 2vvn s ASN 548 Ca 0.44 1.06 0.27 0.00 -0.94 0.00 0.00 52.86 53.68 2vvn s ASN 548 Cb 0.12 -2.13 1.12 0.00 -2.00 0.00 0.00 41.25 38.36 2vvn s ASN 548 CO -0.03 -0.92 1.80 -0.65 -2.94 0.00 0.00 177.10 174.36 2vvn h PRO 549 N -0.20 0.00 0.00 3.55 0.11 -2.01 -3.30 132.00 130.15 2vvn h PRO 549 Ca -0.45 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 2vvn h PRO 549 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2vvn h PRO 549 CO 0.62 0.00 -1.02 0.66 -0.21 0.00 0.00 178.00 178.05 2vvn n TYR 550 N -2.49 0.00 -3.53 0.65 4.01 -1.26 -4.83 117.16 109.72 2vvn n TYR 550 Ca 0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.49 2vvn n TYR 550 Cb 0.24 -0.40 -0.10 0.00 -0.31 0.00 0.00 39.34 38.77 2vvn n TYR 550 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2vvn n GLN 551 N -3.99 0.98 -2.15 -0.72 3.00 -1.26 -5.02 117.38 108.22 2vvn n GLN 551 Ca -0.16 -3.73 -0.35 0.00 -0.01 0.00 0.00 57.00 52.75 2vvn n GLN 551 Cb 0.45 -1.85 0.01 0.00 0.00 0.00 0.00 30.24 28.85 2vvn n GLN 551 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2vvn s PRO 552 N -0.82 3.21 0.00 -1.09 0.04 -1.24 -2.51 135.00 132.59 2vvn s PRO 552 Ca 0.31 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2vvn s PRO 552 Cb 0.04 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2vvn s PRO 552 CO -0.16 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.32 2vvn n GLY 553 N 0.17 -1.49 2.65 0.56 0.00 -0.02 -4.80 105.19 102.26 2vvn n GLY 553 Ca 0.12 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.83 2vvn n GLY 553 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vvn s VAL 554 N 0.00 0.00 0.01 1.61 1.01 -1.26 -4.36 120.40 117.42 2vvn s VAL 554 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.01 2vvn s VAL 554 Cb 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 2vvn s VAL 554 CO 0.00 -0.11 -0.17 -0.54 0.00 0.00 0.00 175.10 174.28 2vvn s LYS 555 N 2.11 2.22 -0.02 2.72 -0.14 0.19 -4.75 119.74 122.06 2vvn s LYS 555 Ca 0.03 -0.88 -0.15 0.00 -1.36 0.00 0.00 55.97 53.61 2vvn s LYS 555 Cb -0.15 -2.25 0.02 0.00 -1.68 0.00 0.00 37.83 33.78 2vvn s LYS 555 CO -0.07 0.57 0.31 -0.08 -0.76 0.00 0.00 175.35 175.31 2vvn s THR 556 N -0.86 0.06 -1.45 2.17 -1.32 -1.26 -4.55 115.64 108.44 2vvn s THR 556 Ca 0.14 -0.47 -0.05 0.00 -1.21 0.00 0.00 61.69 60.10 2vvn s THR 556 Cb -0.11 -0.61 0.04 0.00 -1.51 0.00 0.00 72.50 70.32 2vvn s THR 556 CO 0.04 -0.26 0.62 0.00 -2.21 0.00 0.00 174.62 172.81 2vvn n ALA 557 N 1.32 -1.79 0.11 11.08 0.00 -0.43 -4.76 120.51 126.04 2vvn n ALA 557 Ca -0.21 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.15 2vvn n ALA 557 Cb 0.56 -2.34 0.01 0.00 0.00 0.00 0.00 19.45 17.68 2vvn n ALA 557 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2vvn h THR 558 N -1.84 0.37 0.08 0.00 1.35 -1.92 -1.17 112.91 109.78 2vvn h THR 558 Ca -0.61 -1.61 -0.18 0.00 -0.55 0.00 0.00 66.41 63.46 2vvn h THR 558 Cb 1.37 1.97 0.02 0.00 -1.73 0.00 0.00 68.15 69.78 2vvn h THR 558 CO 0.64 0.21 -0.76 -0.09 -0.25 0.00 0.00 175.52 175.27 2vvn h ARG 559 N 0.00 0.38 0.00 4.72 2.43 -1.92 -3.40 114.38 116.58 2vvn h ARG 559 Ca -0.05 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2vvn h ARG 559 Cb 1.28 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 2vvn h ARG 559 CO 0.03 1.19 -0.68 0.28 -1.51 0.00 0.00 179.97 179.28 2vvn n VAL 560 N -4.14 0.25 -0.02 0.20 0.31 -1.26 -4.78 118.33 108.89 2vvn n VAL 560 Ca -0.12 0.08 -0.13 0.00 -0.01 0.00 0.00 64.34 64.16 2vvn n VAL 560 Cb 0.77 -1.40 -0.10 0.00 -0.91 0.00 0.00 33.84 32.20 2vvn n VAL 560 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2vvn h ILE 561 N 0.00 1.41 -0.39 2.52 2.04 -1.85 -2.14 117.51 119.10 2vvn h ILE 561 Ca 0.00 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.59 2vvn h ILE 561 Cb 0.68 2.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.99 2vvn h ILE 561 CO 0.00 0.32 0.06 0.50 0.00 0.00 0.00 178.15 179.03 2vvn h LYS 562 N -0.51 0.65 -0.41 2.37 1.63 -1.47 -1.76 116.57 117.07 2vvn h LYS 562 Ca 0.00 -0.18 0.04 0.00 -0.85 0.00 0.00 60.65 59.66 2vvn h LYS 562 Cb 0.52 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 2vvn h LYS 562 CO 0.00 0.71 0.18 -1.35 -3.45 0.00 0.00 179.45 175.53 2vvn h PRO 563 N 0.50 0.35 -0.45 1.90 0.11 -1.77 0.55 132.00 133.18 2vvn h PRO 563 Ca 0.12 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.28 2vvn h PRO 563 Cb 0.37 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.35 2vvn h PRO 563 CO 0.01 0.23 0.12 1.25 -0.21 0.00 0.00 178.00 179.40 2vvn h LEU 564 N 0.36 0.07 -0.21 2.35 5.85 -1.20 0.47 115.31 123.00 2vvn h LEU 564 Ca 0.18 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 2vvn h LEU 564 Cb 0.13 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2vvn h LEU 564 CO -0.16 0.07 0.12 0.40 -0.34 0.00 0.00 178.44 178.54 2vvn h ILE 565 N 0.26 1.08 -0.49 4.05 2.04 -0.94 -0.55 117.51 122.96 2vvn h ILE 565 Ca 0.22 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 2vvn h ILE 565 Cb 0.26 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2vvn h ILE 565 CO -0.26 0.08 0.18 0.44 0.00 0.00 0.00 178.15 178.59 2vvn h ASP 566 N 0.25 0.68 -0.35 1.72 3.32 -0.56 -0.86 116.42 120.62 2vvn h ASP 566 Ca 0.07 -0.18 -0.16 0.00 0.02 0.00 0.00 57.03 56.78 2vvn h ASP 566 Cb 0.02 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2vvn h ASP 566 CO -0.01 0.67 -0.41 0.03 -1.72 0.00 0.00 179.24 177.80 2vvn h ARG 567 N 0.65 0.91 -0.60 3.56 3.08 -0.83 -1.57 114.38 119.59 2vvn h ARG 567 Ca 0.16 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 2vvn h ARG 567 Cb 0.21 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2vvn h ARG 567 CO -0.01 1.15 0.30 1.15 -1.07 0.00 0.00 179.97 181.48 2vvn h THR 568 N 0.74 1.21 0.26 2.04 2.02 -0.98 -1.14 112.91 117.06 2vvn h THR 568 Ca 0.05 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 2vvn h THR 568 Cb 1.01 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2vvn h THR 568 CO 0.10 0.23 -0.15 0.15 0.37 0.00 0.00 175.52 176.22 2vvn h PHE 569 N 0.81 -0.38 -0.85 3.16 3.57 -0.95 -0.99 116.94 121.31 2vvn h PHE 569 Ca 0.21 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.78 2vvn h PHE 569 Cb 0.09 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 2vvn h PHE 569 CO -0.00 -0.23 0.52 0.00 -2.23 0.00 0.00 178.31 176.36 2vvn h ALA 570 N 0.35 1.19 0.25 2.41 0.00 -1.14 -1.97 119.26 120.34 2vvn h ALA 570 Ca -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2vvn h ALA 570 Cb 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2vvn h ALA 570 CO 0.04 0.21 -0.12 1.15 0.00 0.00 0.00 179.25 180.53 2vvn h THR 571 N 0.91 0.80 -0.23 0.00 2.02 -0.95 -1.79 112.91 113.66 2vvn h THR 571 Ca 0.39 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 2vvn h THR 571 Cb 0.25 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2vvn h THR 571 CO -0.20 0.07 -0.09 -0.37 0.37 0.00 0.00 175.52 175.30 2vvn h VAL 572 N -0.49 1.19 -0.31 3.16 -1.51 -0.97 -0.45 116.25 116.87 2vvn h VAL 572 Ca -0.03 -0.83 -0.07 0.00 -1.23 0.00 0.00 66.70 64.54 2vvn h VAL 572 Cb 0.37 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 2vvn h VAL 572 CO 0.06 0.27 -0.07 0.58 -1.23 0.00 0.00 177.57 177.18 2vvn h VAL 573 N 0.35 1.28 -0.16 7.19 2.07 -1.35 0.08 116.25 125.70 2vvn h VAL 573 Ca 0.07 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.54 2vvn h VAL 573 Cb 0.38 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 2vvn h VAL 573 CO 0.02 0.35 -0.17 0.50 0.02 0.00 0.00 177.57 178.29 2vvn h LYS 574 N 0.36 -0.20 -0.76 1.57 3.64 -0.87 -0.54 116.57 119.79 2vvn h LYS 574 Ca 0.08 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2vvn h LYS 574 Cb 0.55 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 2vvn h LYS 574 CO 0.03 -0.13 0.44 0.74 -2.27 0.00 0.00 179.45 178.25 2vvn h PHE 575 N -0.20 1.02 0.01 1.91 0.04 -0.82 -1.71 116.94 117.18 2vvn h PHE 575 Ca 0.11 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 2vvn h PHE 575 Cb 0.36 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2vvn h PHE 575 CO -0.30 0.70 -0.01 0.35 -0.60 0.00 0.00 178.31 178.45 2vvn h PHE 576 N 1.04 -0.02 -0.91 -0.55 3.57 -0.79 -0.34 116.94 118.94 2vvn h PHE 576 Ca 0.27 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.88 2vvn h PHE 576 Cb -0.00 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 2vvn h PHE 576 CO -0.00 0.07 0.54 -0.91 -2.23 0.00 0.00 178.31 175.78 2vvn h ASN 577 N -0.10 0.77 0.11 0.41 2.35 -0.91 0.28 115.58 118.49 2vvn h ASN 577 Ca -0.00 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2vvn h ASN 577 Cb 0.09 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2vvn h ASN 577 CO 0.00 0.41 -0.05 1.56 -1.65 0.00 0.00 177.43 177.70 2vvn h GLN 578 N 0.86 -0.15 -0.51 0.81 4.20 -1.09 0.35 115.11 119.58 2vvn h GLN 578 Ca 0.46 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 59.06 2vvn h GLN 578 Cb 0.47 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 2vvn h GLN 578 CO -0.27 0.09 -0.13 -0.22 -0.67 0.00 0.00 178.83 177.63 2vvn h LYS 579 N -0.37 0.97 -0.44 1.46 3.64 -0.67 -3.20 116.57 117.96 2vvn h LYS 579 Ca -0.02 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2vvn h LYS 579 Cb 0.31 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2vvn h LYS 579 CO 0.03 1.04 0.00 1.19 -2.27 0.00 0.00 179.45 179.43 2vvn n PHE 580 N -4.14 0.82 -4.00 1.91 3.72 0.94 -4.96 117.46 111.75 2vvn n PHE 580 Ca 0.01 -0.59 -0.30 0.00 -0.05 0.00 0.00 57.45 56.52 2vvn n PHE 580 Cb 0.41 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 2vvn n PHE 580 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2vvn n ASN 581 N 0.59 -3.04 -4.93 4.37 5.03 -0.09 -4.96 115.26 112.24 2vvn n ASN 581 Ca 0.18 -0.90 -0.23 0.00 0.87 0.00 0.00 54.58 54.50 2vvn n ASN 581 Cb 0.63 -3.39 0.00 0.00 -1.02 0.00 0.00 39.78 36.00 2vvn n ASN 581 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2vvn s ALA 582 N -3.47 4.40 -0.33 5.41 0.00 -0.08 -5.03 121.76 122.66 2vvn s ALA 582 Ca 0.48 -1.68 0.16 0.00 0.00 0.00 0.00 51.96 50.92 2vvn s ALA 582 Cb -0.25 -1.03 0.46 0.00 0.00 0.00 0.00 23.12 22.30 2vvn s ALA 582 CO 0.87 -0.48 1.00 0.72 0.00 0.00 0.00 175.76 177.87 2vvn n HIS 583 N -1.82 1.52 -2.10 0.00 8.25 -1.26 -4.64 115.22 115.17 2vvn n HIS 583 Ca 0.05 -2.75 -0.41 0.00 -0.26 0.00 0.00 57.72 54.34 2vvn n HIS 583 Cb 0.63 -0.32 -0.02 0.00 1.12 0.00 0.00 29.99 31.40 2vvn n HIS 583 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2vvn s LEU 584 N -3.27 4.42 0.01 2.41 1.43 -1.26 -4.97 118.68 117.45 2vvn s LEU 584 Ca 0.31 2.67 -0.30 0.00 -1.03 0.00 0.00 54.13 55.77 2vvn s LEU 584 Cb 0.44 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.94 2vvn s LEU 584 CO -0.00 -0.57 1.64 -0.62 0.23 0.00 0.00 176.35 177.03 2vvn s ASP 585 N -0.28 6.65 0.00 2.29 -1.08 -1.26 -4.94 116.67 118.06 2vvn s ASP 585 Ca 0.51 2.35 0.22 0.00 -0.52 0.00 0.00 52.55 55.11 2vvn s ASP 585 Cb -0.40 -2.55 0.52 0.00 -1.46 0.00 0.00 42.92 39.03 2vvn s ASP 585 CO 0.50 -0.89 1.44 0.00 0.52 0.00 0.00 175.17 176.74 2vvn n ALA 586 N 6.33 2.45 -1.80 3.66 0.00 -1.26 -4.99 120.51 124.90 2vvn n ALA 586 Ca 0.16 -0.86 -0.34 0.00 0.00 0.00 0.00 53.44 52.40 2vvn n ALA 586 Cb 0.42 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 2vvn n ALA 586 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2vvn s THR 587 N -1.56 3.74 -0.03 0.00 -4.23 -1.26 -4.43 115.64 107.88 2vvn s THR 587 Ca 0.37 1.09 0.12 0.00 -1.18 0.00 0.00 61.69 62.09 2vvn s THR 587 Cb 0.21 -3.44 -0.18 0.00 1.34 0.00 0.00 72.50 70.43 2vvn s THR 587 CO 0.30 -0.23 0.24 0.35 -0.54 0.00 0.00 174.62 174.74 2vvn n THR 588 N -0.98 0.08 -4.36 3.99 -2.24 -1.26 -4.91 114.28 104.60 2vvn n THR 588 Ca 0.09 -0.30 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 2vvn n THR 588 Cb 0.52 0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.77 2vvn n THR 588 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2vvn s ASP 589 N -3.50 5.00 0.22 3.42 -0.00 -1.26 -4.93 116.67 115.61 2vvn s ASP 589 Ca -0.05 -0.03 -0.30 0.00 -0.00 0.00 0.00 52.55 52.17 2vvn s ASP 589 Cb 0.07 -1.69 -0.09 0.00 -0.00 0.00 0.00 42.92 41.21 2vvn s ASP 589 CO 0.50 0.23 1.37 -0.47 -0.00 0.00 0.00 175.17 176.81 2vvn s TYR 590 N -0.01 3.15 -0.10 4.23 5.04 -1.26 -5.03 117.35 123.37 2vvn s TYR 590 Ca 0.02 1.12 -0.03 0.00 -2.44 0.00 0.00 57.07 55.73 2vvn s TYR 590 Cb -0.13 -3.70 0.05 0.00 0.35 0.00 0.00 41.96 38.52 2vvn s TYR 590 CO 0.02 -2.26 0.10 1.41 -1.34 0.00 0.00 175.55 173.48 2vvn s MET 591 N -0.16 0.00 0.42 4.97 -2.45 -1.26 -4.93 119.30 115.89 2vvn s MET 591 Ca 0.58 0.26 0.23 0.00 -1.25 0.00 0.00 55.69 55.52 2vvn s MET 591 Cb -0.39 -0.92 0.67 0.00 1.25 0.00 0.00 34.83 35.44 2vvn s MET 591 CO 0.40 -0.45 1.72 -1.00 1.05 0.00 0.00 175.02 176.73 2vvn h PRO 592 N 8.41 0.00 -6.39 4.11 0.13 -1.99 -3.44 132.00 132.83 2vvn h PRO 592 Ca -0.13 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.51 2vvn h PRO 592 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2vvn h PRO 592 CO 0.20 0.21 -0.27 -1.01 -0.23 0.00 0.00 178.00 176.90 2vvn s HIS 593 N -3.40 3.49 0.20 1.56 3.76 -1.26 -4.25 115.29 115.38 2vvn s HIS 593 Ca 0.03 0.28 0.11 0.00 -0.15 0.00 0.00 55.06 55.33 2vvn s HIS 593 Cb 0.08 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.90 2vvn s HIS 593 CO 0.65 0.24 -0.19 0.15 -0.85 0.00 0.00 174.74 174.74 2vvn s LYS 594 N -4.02 1.69 0.00 1.40 1.02 0.28 -4.98 119.74 115.14 2vvn s LYS 594 Ca 0.39 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.90 2vvn s LYS 594 Cb -0.10 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2vvn s LYS 594 CO 0.33 0.40 0.00 -0.12 -0.92 0.00 0.00 175.35 175.04 2vvn n MET 595 N 0.11 0.00 -1.42 1.68 1.56 -1.26 -0.03 117.12 117.76 2vvn n MET 595 Ca -0.11 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.32 2vvn n MET 595 Cb 0.56 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.93 2vvn n MET 595 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 2vvn n LEU 605 N 0.00 0.00 -4.76 -0.89 4.77 -1.26 -5.02 117.00 109.83 2vvn n LEU 605 Ca 0.00 0.95 -0.41 0.00 -0.03 0.00 0.00 56.01 56.52 2vvn n LEU 605 Cb 0.00 -1.42 -0.02 0.00 -2.33 0.00 0.00 43.42 39.65 2vvn n LEU 605 CO 0.00 -0.41 0.96 -2.16 -1.33 0.00 0.00 177.39 174.44 2vvn s PRO 606 N -0.12 4.40 0.69 3.23 0.04 -1.26 -4.75 135.00 137.23 2vvn s PRO 606 Ca 0.00 2.15 -0.13 0.00 0.04 0.00 0.00 61.00 63.06 2vvn s PRO 606 Cb 0.00 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.45 2vvn s PRO 606 CO 0.00 -0.14 1.08 -0.51 0.04 0.00 0.00 177.00 177.47 2vvn s LEU 607 N -1.56 3.23 0.04 -3.56 1.43 -1.26 -0.83 118.68 116.17 2vvn s LEU 607 Ca 0.49 1.82 -0.00 0.00 -1.03 0.00 0.00 54.13 55.41 2vvn s LEU 607 Cb -0.38 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.28 2vvn s LEU 607 CO 0.50 -1.64 -0.03 -1.10 0.23 0.00 0.00 176.35 174.30 2vvn s GLN 608 N -4.57 0.46 -0.16 1.70 -0.21 0.10 -4.85 119.66 112.14 2vvn s GLN 608 Ca 0.62 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 55.11 2vvn s GLN 608 Cb -0.17 0.14 -0.00 0.00 1.00 0.00 0.00 33.01 33.98 2vvn s GLN 608 CO 0.48 -0.07 -0.15 0.08 -2.12 0.00 0.00 175.29 173.51 2vvn s VAL 609 N -2.57 2.68 -0.19 1.09 1.01 -1.26 -0.99 120.40 120.17 2vvn s VAL 609 Ca -0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2vvn s VAL 609 Cb -0.02 -2.13 0.05 0.00 0.00 0.00 0.00 36.38 34.28 2vvn s VAL 609 CO -0.05 0.51 0.01 -0.54 0.00 0.00 0.00 175.10 175.03 2vvn s LYS 610 N 0.86 0.87 4.88 2.72 -0.14 -0.71 -5.00 119.74 123.22 2vvn s LYS 610 Ca -0.04 -0.46 0.00 0.00 -1.36 0.00 0.00 55.97 54.10 2vvn s LYS 610 Cb -0.15 -2.07 0.00 0.00 -1.68 0.00 0.00 37.83 33.93 2vvn s LYS 610 CO -0.01 -0.58 0.00 0.00 -0.76 0.00 0.00 175.35 174.00 2vvn n ALA 611 N 4.99 0.00 -0.91 5.17 0.00 -1.26 -0.85 120.51 127.65 2vvn n ALA 611 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 2vvn n ALA 611 Cb 0.47 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.15 2vvn n ALA 611 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2vvn n ASN 612 N 4.55 4.18 -4.58 0.00 6.94 -1.26 -4.88 115.26 120.21 2vvn n ASN 612 Ca 0.00 -3.25 -0.33 0.00 -0.02 0.00 0.00 54.58 50.98 2vvn n ASN 612 Cb 0.00 -0.76 -0.11 0.00 -2.36 0.00 0.00 39.78 36.55 2vvn n ASN 612 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2vvn s ARG 613 N -2.84 2.63 -0.23 -3.83 0.52 -0.03 -1.27 118.95 113.89 2vvn s ARG 613 Ca 0.50 -0.65 0.02 0.00 -0.52 0.00 0.00 55.73 55.09 2vvn s ARG 613 Cb 0.41 -2.53 0.05 0.00 0.52 0.00 0.00 34.95 33.41 2vvn s ARG 613 CO 0.11 0.63 -0.12 0.08 0.02 0.00 0.00 175.30 176.02 2vvn s VAL 614 N -0.89 2.03 0.10 3.52 1.01 0.14 -1.74 120.40 124.58 2vvn s VAL 614 Ca 0.14 -1.38 0.08 0.00 0.00 0.00 0.00 61.98 60.82 2vvn s VAL 614 Cb -0.11 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 2vvn s VAL 614 CO 0.04 0.11 -0.20 -1.48 0.00 0.00 0.00 175.10 173.57 2vvn s LEU 615 N 1.20 2.30 -0.02 3.92 0.05 -0.16 -0.89 118.68 125.09 2vvn s LEU 615 Ca -0.05 -0.68 -0.22 0.00 0.05 0.00 0.00 54.13 53.22 2vvn s LEU 615 Cb -0.18 -0.83 -0.05 0.00 -2.05 0.00 0.00 46.19 43.09 2vvn s LEU 615 CO -0.07 0.03 0.67 -0.63 -0.55 0.00 0.00 176.35 175.80 2vvn s ILE 616 N -1.22 4.93 -0.13 1.48 1.01 -0.84 0.02 121.20 126.45 2vvn s ILE 616 Ca 0.06 1.39 -0.37 0.00 0.00 0.00 0.00 60.65 61.73 2vvn s ILE 616 Cb -0.10 -4.01 -0.14 0.00 0.01 0.00 0.00 42.46 38.23 2vvn s ILE 616 CO 0.04 0.34 1.77 -1.20 0.00 0.00 0.00 174.94 175.89 2vvn n SER 617 N 3.15 2.90 -4.38 3.58 7.64 -0.01 -4.52 113.62 121.97 2vvn n SER 617 Ca -0.04 1.03 -0.10 0.00 1.01 0.00 0.00 58.87 60.77 2vvn n SER 617 Cb 0.51 -1.28 -0.08 0.00 -1.01 0.00 0.00 64.21 62.35 2vvn n SER 617 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2vvn n PRO 618 N 5.61 0.11 0.00 1.43 -0.02 -1.26 -4.87 135.00 136.00 2vvn n PRO 618 Ca 0.23 -0.89 0.00 0.00 -2.02 0.00 0.00 63.50 60.82 2vvn n PRO 618 Cb 0.23 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 2vvn n PRO 618 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2vvn n VAL 631 N 7.24 0.00 -4.13 -1.45 0.31 -1.26 -5.10 118.33 113.94 2vvn n VAL 631 Ca 0.30 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.44 2vvn n VAL 631 Cb 0.45 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.22 2vvn n VAL 631 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2vvn s GLU 632 N -0.31 0.70 -0.09 5.55 2.12 -1.26 -0.83 118.70 124.57 2vvn s GLU 632 Ca 0.00 -0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.23 2vvn s GLU 632 Cb 0.00 -0.73 -0.03 0.00 0.26 0.00 0.00 34.13 33.63 2vvn s GLU 632 CO 0.00 -0.07 -0.01 0.42 -0.54 0.00 0.00 175.26 175.06 2vvn s ILE 633 N 0.82 4.19 -0.19 -3.70 1.01 0.13 -4.24 121.20 119.23 2vvn s ILE 633 Ca -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 2vvn s ILE 633 Cb -0.13 -2.77 0.05 0.00 0.01 0.00 0.00 42.46 39.62 2vvn s ILE 633 CO -0.00 0.59 -0.01 -0.70 0.00 0.00 0.00 174.94 174.82 2vvn s GLU 634 N -0.71 1.08 0.57 2.79 2.12 0.95 -1.04 118.70 124.46 2vvn s GLU 634 Ca 0.11 -0.58 -0.17 0.00 0.36 0.00 0.00 54.97 54.69 2vvn s GLU 634 Cb -0.12 -2.18 -0.05 0.00 0.26 0.00 0.00 34.13 32.05 2vvn s GLU 634 CO 0.02 -0.57 1.06 -0.51 -0.54 0.00 0.00 175.26 174.72 2vvn s LEU 635 N 1.69 3.60 0.00 2.70 1.43 0.21 -0.55 118.68 127.75 2vvn s LEU 635 Ca -0.02 1.89 0.09 0.00 -1.03 0.00 0.00 54.13 55.06 2vvn s LEU 635 Cb -0.17 -4.55 0.41 0.00 0.03 0.00 0.00 46.19 41.92 2vvn s LEU 635 CO -0.07 -1.11 1.26 -0.90 0.23 0.00 0.00 176.35 175.76 2vvn n ASP 636 N -1.73 0.00 -3.25 2.29 5.75 -1.26 -4.81 116.55 113.55 2vvn n ASP 636 Ca 0.09 0.40 -0.08 0.00 -0.01 0.00 0.00 54.79 55.19 2vvn n ASP 636 Cb 0.53 -0.44 0.01 0.00 -1.03 0.00 0.00 41.12 40.18 2vvn n ASP 636 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2vvn s ALA 637 N -2.88 -0.83 -0.17 2.12 0.00 -1.26 -5.11 121.76 113.63 2vvn s ALA 637 Ca 0.06 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 51.13 2vvn s ALA 637 Cb 0.06 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 2vvn s ALA 637 CO 0.16 -0.99 0.76 0.42 0.00 0.00 0.00 175.76 176.11 2vvn s ILE 638 N -2.87 4.93 0.22 0.00 1.01 -1.26 -4.44 121.20 118.80 2vvn s ILE 638 Ca 0.15 1.48 0.11 0.00 0.00 0.00 0.00 60.65 62.39 2vvn s ILE 638 Cb -0.05 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 2vvn s ILE 638 CO 0.10 0.07 -0.21 -0.31 0.00 0.00 0.00 174.94 174.59 2vvn s TYR 639 N 1.98 2.15 0.02 3.97 2.02 -0.06 -4.90 117.35 122.53 2vvn s TYR 639 Ca 0.35 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.36 2vvn s TYR 639 Cb -0.16 -1.01 -0.06 0.00 -0.40 0.00 0.00 41.96 40.32 2vvn s TYR 639 CO 0.12 0.53 1.49 -2.14 -1.57 0.00 0.00 175.55 173.98 2vvn s PRO 640 N -3.08 4.25 0.28 -1.71 0.02 -1.26 -0.33 135.00 133.17 2vvn s PRO 640 Ca 0.23 2.09 -0.27 0.00 0.02 0.00 0.00 61.00 63.07 2vvn s PRO 640 Cb -0.06 -3.58 -0.09 0.00 0.02 0.00 0.00 34.50 30.79 2vvn s PRO 640 CO 0.11 -0.63 0.93 0.20 -0.33 0.00 0.00 177.00 177.27 2vvn s GLY 641 N 2.06 2.91 -0.21 0.52 0.00 -0.02 -0.74 107.32 111.84 2vvn s GLY 641 Ca 0.67 0.53 -0.15 0.00 0.00 0.00 0.00 44.72 45.77 2vvn s GLY 641 CO 0.28 1.02 -0.34 -2.21 0.00 0.00 0.00 173.10 171.86 2vvn n GLU 642 N 0.93 0.53 -3.66 2.90 4.07 0.29 -1.70 120.64 124.00 2vvn n GLU 642 Ca 0.00 0.22 -0.02 0.00 -0.06 0.00 0.00 57.16 57.30 2vvn n GLU 642 Cb 0.49 -1.41 -0.01 0.00 -0.06 0.00 0.00 31.44 30.45 2vvn n GLU 642 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2vvn s ASN 643 N -6.56 -0.16 0.00 4.31 2.20 -1.13 -0.05 114.94 113.55 2vvn s ASN 643 Ca -0.32 -0.22 0.07 0.00 -0.94 0.00 0.00 52.86 51.45 2vvn s ASN 643 Cb 0.08 0.33 -0.02 0.00 -2.00 0.00 0.00 41.25 39.64 2vvn s ASN 643 CO 0.43 -0.59 -0.21 -0.63 -2.94 0.00 0.00 177.10 173.16 2vvn s ILE 644 N -2.88 1.66 -0.16 0.54 1.01 -0.87 -1.16 121.20 119.34 2vvn s ILE 644 Ca 0.12 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 2vvn s ILE 644 Cb 0.01 -1.40 0.04 0.00 0.01 0.00 0.00 42.46 41.12 2vvn s ILE 644 CO -0.02 0.38 -0.01 -1.10 0.00 0.00 0.00 174.94 174.18 2vvn s GLN 645 N -0.73 1.01 -0.03 2.79 -0.21 0.16 -2.00 119.66 120.66 2vvn s GLN 645 Ca 0.08 -0.36 0.06 0.00 0.02 0.00 0.00 55.36 55.15 2vvn s GLN 645 Cb -0.08 -1.83 -0.03 0.00 1.00 0.00 0.00 33.01 32.08 2vvn s GLN 645 CO 0.00 -0.47 -0.19 0.42 -2.12 0.00 0.00 175.29 172.93 2vvn s ILE 646 N 1.77 2.70 -0.10 1.08 1.01 -0.52 -0.43 121.20 126.71 2vvn s ILE 646 Ca 0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 2vvn s ILE 646 Cb -0.15 -2.04 0.04 0.00 0.01 0.00 0.00 42.46 40.32 2vvn s ILE 646 CO -0.07 0.55 0.05 0.21 0.00 0.00 0.00 174.94 175.67 2vvn s ASN 647 N -0.81 1.76 -0.06 3.58 2.47 0.71 -0.53 114.94 122.06 2vvn s ASN 647 Ca 0.11 -0.24 0.20 0.00 0.42 0.00 0.00 52.86 53.36 2vvn s ASN 647 Cb -0.10 -0.30 -0.31 0.00 -1.45 0.00 0.00 41.25 39.08 2vvn s ASN 647 CO 0.01 -0.26 0.38 0.49 -3.72 0.00 0.00 177.10 174.00 2vvn n PHE 648 N 5.22 0.00 -3.69 0.43 3.72 -1.26 -1.74 117.46 120.14 2vvn n PHE 648 Ca -0.06 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.96 2vvn n PHE 648 Cb 0.49 -0.56 -0.10 0.00 -0.94 0.00 0.00 39.48 38.37 2vvn n PHE 648 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2vvn s ARG 679 N -3.27 2.31 0.26 -1.08 0.52 -1.26 -5.06 118.95 111.37 2vvn s ARG 679 Ca -0.08 -2.00 -0.25 0.00 -0.52 0.00 0.00 55.73 52.88 2vvn s ARG 679 Cb 0.12 -3.74 -0.09 0.00 0.52 0.00 0.00 34.95 31.76 2vvn s ARG 679 CO 0.85 -1.14 0.86 -0.51 0.02 0.00 0.00 175.30 175.38 2vvn s LEU 680 N 0.87 4.43 -0.13 2.53 1.02 0.31 -4.96 118.68 122.75 2vvn s LEU 680 Ca 0.10 1.71 -0.26 0.00 0.02 0.00 0.00 54.13 55.70 2vvn s LEU 680 Cb -0.23 -3.71 0.06 0.00 0.02 0.00 0.00 46.19 42.34 2vvn s LEU 680 CO -0.03 0.04 0.65 -0.94 0.02 0.00 0.00 176.35 176.09 2vvn s SER 681 N -1.47 -0.64 -0.14 2.29 1.04 -1.26 -1.43 113.70 112.09 2vvn s SER 681 Ca 0.44 0.94 -0.04 0.00 0.48 0.00 0.00 55.95 57.77 2vvn s SER 681 Cb -0.20 0.87 0.07 0.00 0.10 0.00 0.00 66.02 66.86 2vvn s SER 681 CO 0.25 -0.44 0.21 0.00 0.98 0.00 0.00 173.24 174.25 2vvn s ALA 682 N -0.54 -0.33 0.10 5.32 0.00 -0.85 -4.98 121.76 120.48 2vvn s ALA 682 Ca -0.06 0.59 -0.31 0.00 0.00 0.00 0.00 51.96 52.18 2vvn s ALA 682 Cb -0.02 -1.05 -0.08 0.00 0.00 0.00 0.00 23.12 21.97 2vvn s ALA 682 CO 0.06 -0.80 1.53 0.20 0.00 0.00 0.00 175.76 176.75 2vvn s GLY 683 N 2.35 1.69 0.00 0.00 0.00 -1.26 -2.05 107.32 108.04 2vvn s GLY 683 Ca 0.04 1.19 0.27 0.00 0.00 0.00 0.00 44.72 46.21 2vvn s GLY 683 CO -0.09 2.64 1.68 1.04 0.00 0.00 0.00 173.10 178.38 2vvn n LEU 684 N 4.75 0.41 -3.83 0.66 4.77 0.93 -4.91 117.00 119.77 2vvn n LEU 684 Ca 0.14 0.11 -0.29 0.00 -0.03 0.00 0.00 56.01 55.95 2vvn n LEU 684 Cb 0.41 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 2vvn n LEU 684 CO 0.61 0.09 0.15 0.00 -1.33 0.00 0.00 177.39 176.90 2vvn n GLN 685 N -1.28 -6.23 -1.25 3.23 3.00 -1.25 -1.71 117.38 111.88 2vvn n GLN 685 Ca 0.09 0.66 -0.09 0.00 -0.01 0.00 0.00 57.00 57.65 2vvn n GLN 685 Cb 0.32 -5.60 -0.04 0.00 0.00 0.00 0.00 30.24 24.92 2vvn n GLN 685 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2vvn n LYS 686 N -4.78 -1.47 -1.75 -1.09 4.76 -0.69 -4.96 118.16 108.18 2vvn n LYS 686 Ca 0.03 0.77 -0.42 0.00 -2.87 0.00 0.00 58.31 55.82 2vvn n LYS 686 Cb 0.53 -5.03 -0.01 0.00 -1.84 0.00 0.00 35.03 28.68 2vvn n LYS 686 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2vvn n ALA 687 N 1.16 2.50 -1.73 7.82 0.00 -0.69 -4.18 120.51 125.39 2vvn n ALA 687 Ca -0.09 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 2vvn n ALA 687 Cb 0.50 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 2vvn n ALA 687 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2vvn s PRO 688 N -0.74 4.14 -0.02 0.00 0.02 -1.26 -0.84 135.00 136.30 2vvn s PRO 688 Ca 0.62 2.59 0.02 0.00 0.02 0.00 0.00 61.00 64.26 2vvn s PRO 688 Cb -0.50 -3.37 -0.00 0.00 0.02 0.00 0.00 34.50 30.65 2vvn s PRO 688 CO 0.51 -0.80 -0.09 0.54 -0.33 0.00 0.00 177.00 176.84 2vvn s VAL 689 N 2.06 0.72 0.00 3.83 0.11 0.55 -4.88 120.40 122.79 2vvn s VAL 689 Ca 0.78 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 2vvn s VAL 689 Cb -0.47 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 2vvn s VAL 689 CO 0.34 0.22 0.00 1.17 -3.33 0.00 0.00 175.10 173.50 2vvn n LYS 690 N 3.14 0.00 -4.56 1.54 4.81 -1.26 -0.88 118.16 120.95 2vvn n LYS 690 Ca -0.16 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 56.94 2vvn n LYS 690 Cb 0.55 -0.78 -0.12 0.00 0.02 0.00 0.00 35.03 34.71 2vvn n LYS 690 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2vvn s PHE 691 N -1.65 2.95 -0.11 5.64 0.08 -1.26 -0.62 117.98 123.02 2vvn s PHE 691 Ca 0.00 -0.21 -0.00 0.00 0.12 0.00 0.00 56.93 56.84 2vvn s PHE 691 Cb 0.00 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.65 2vvn s PHE 691 CO 0.00 0.10 -0.08 0.08 -0.10 0.00 0.00 175.22 175.22 2vvn s VAL 692 N -0.17 1.02 -0.03 -0.44 1.01 -0.21 -5.00 120.40 116.58 2vvn s VAL 692 Ca 0.02 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2vvn s VAL 692 Cb -0.13 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 2vvn s VAL 692 CO 0.03 0.36 -0.16 -0.60 0.00 0.00 0.00 175.10 174.73 2vvn s ARG 693 N 1.58 1.45 0.00 2.72 3.52 -1.26 0.22 118.95 127.17 2vvn s ARG 693 Ca 0.02 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 2vvn s ARG 693 Cb -0.13 -1.33 0.00 0.00 -1.56 0.00 0.00 34.95 31.93 2vvn s ARG 693 CO -0.07 0.27 0.00 0.34 -0.81 0.00 0.00 175.30 175.04 2vvn n PHE 694 N 2.95 0.00 0.00 5.12 7.35 -0.01 -5.01 117.46 127.86 2vvn n PHE 694 Ca -0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 2vvn n PHE 694 Cb 0.54 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.37 2vvn n PHE 694 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2vvn n GLN 708 N 0.00 0.00 -3.23 -4.13 10.64 -0.71 -4.98 117.38 114.97 2vvn n GLN 708 Ca 0.00 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 55.12 2vvn n GLN 708 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 2vvn n GLN 708 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 2vvn s PHE 709 N 0.00 -1.30 -0.12 2.61 5.36 -1.22 -0.21 117.98 123.10 2vvn s PHE 709 Ca 0.00 -0.13 0.03 0.00 -0.96 0.00 0.00 56.93 55.87 2vvn s PHE 709 Cb 0.00 0.11 0.01 0.00 -0.34 0.00 0.00 43.02 42.79 2vvn s PHE 709 CO 0.00 -1.12 -0.22 0.08 -1.46 0.00 0.00 175.22 172.49 2vvn s VAL 710 N 1.64 2.01 -0.21 3.12 1.01 0.42 -1.98 120.40 126.41 2vvn s VAL 710 Ca 0.17 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 2vvn s VAL 710 Cb -0.07 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2vvn s VAL 710 CO -0.06 0.54 0.04 -0.22 0.00 0.00 0.00 175.10 175.41 2vvn s LEU 711 N 0.61 3.50 -0.16 3.92 2.96 -0.07 -0.66 118.68 128.79 2vvn s LEU 711 Ca -0.12 -0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 2vvn s LEU 711 Cb -0.17 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2vvn s LEU 711 CO 0.03 0.07 0.11 -0.89 -1.32 0.00 0.00 176.35 174.35 2vvn s THR 712 N 0.99 5.26 0.30 3.68 2.01 -0.31 0.29 115.64 127.85 2vvn s THR 712 Ca 0.03 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.21 2vvn s THR 712 Cb -0.14 -3.34 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 2vvn s THR 712 CO 0.03 0.53 -0.02 0.27 -0.69 0.00 0.00 174.62 174.74 2vvn s ILE 713 N -0.30 1.49 -0.36 1.82 -4.36 -0.40 -0.55 121.20 118.54 2vvn s ILE 713 Ca 0.10 -2.07 -0.26 0.00 -0.26 0.00 0.00 60.65 58.16 2vvn s ILE 713 Cb -0.12 -2.57 0.01 0.00 1.25 0.00 0.00 42.46 41.03 2vvn s ILE 713 CO 0.01 -0.20 0.93 -0.70 0.24 0.00 0.00 174.94 175.22 2vvn s GLU 714 N -3.78 3.87 0.00 0.37 2.12 0.09 -4.77 118.70 116.59 2vvn s GLU 714 Ca 0.32 0.62 0.00 0.00 0.36 0.00 0.00 54.97 56.27 2vvn s GLU 714 Cb 0.06 -3.79 0.00 0.00 0.26 0.00 0.00 34.13 30.66 2vvn s GLU 714 CO 0.13 -0.92 0.00 1.17 -0.54 0.00 0.00 175.26 175.10