#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vur s LEU 42 N 0.00 4.17 -0.16 1.34 1.43 -1.26 -4.75 118.68 119.45 2vur s LEU 42 Ca 0.00 1.47 -0.29 0.00 -1.03 0.00 0.00 54.13 54.28 2vur s LEU 42 Cb 0.00 -4.00 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 2vur s LEU 42 CO 0.00 -0.14 1.09 -0.69 0.23 0.00 0.00 176.35 176.84 2vur s VAL 43 N -1.82 4.59 0.86 -1.59 1.01 -1.26 -4.55 120.40 117.65 2vur s VAL 43 Ca 0.51 1.90 -0.11 0.00 0.00 0.00 0.00 61.98 64.28 2vur s VAL 43 Cb -0.13 -4.22 0.11 0.00 0.00 0.00 0.00 36.38 32.13 2vur s VAL 43 CO 0.19 -0.09 1.09 -2.84 0.00 0.00 0.00 175.10 173.45 2vur s PRO 44 N 2.74 1.56 0.16 2.72 0.02 -1.26 -4.96 135.00 135.98 2vur s PRO 44 Ca 0.49 0.94 -0.34 0.00 0.02 0.00 0.00 61.00 62.11 2vur s PRO 44 Cb -0.18 -1.83 -0.15 0.00 0.02 0.00 0.00 34.50 32.36 2vur s PRO 44 CO 0.13 -2.06 1.45 0.09 -0.33 0.00 0.00 177.00 176.28 2vur n ASN 45 N -3.78 2.50 -4.19 2.53 3.02 -1.26 -4.97 115.26 109.11 2vur n ASN 45 Ca 0.08 1.11 -0.25 0.00 -0.03 0.00 0.00 54.58 55.48 2vur n ASN 45 Cb 0.54 -1.35 -0.15 0.00 -0.61 0.00 0.00 39.78 38.22 2vur n ASN 45 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2vur s LEU 46 N 0.62 2.07 -0.16 3.41 1.43 -1.26 -4.86 118.68 119.92 2vur s LEU 46 Ca 0.78 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 53.43 2vur s LEU 46 Cb -0.76 -0.93 0.06 0.00 0.03 0.00 0.00 46.19 44.59 2vur s LEU 46 CO 0.44 0.20 0.37 0.21 0.23 0.00 0.00 176.35 177.80 2vur s ASN 47 N -0.61 -0.32 1.15 2.29 3.84 -1.26 -4.15 114.94 115.88 2vur s ASN 47 Ca 0.07 0.83 -0.14 0.00 0.21 0.00 0.00 52.86 53.83 2vur s ASN 47 Cb -0.07 0.84 0.27 0.00 -0.55 0.00 0.00 41.25 41.74 2vur s ASN 47 CO -0.00 -0.20 1.04 -2.84 -2.79 0.00 0.00 177.10 172.30 2vur s PRO 48 N 1.77 -0.79 0.00 0.43 0.02 -1.26 -4.69 135.00 130.48 2vur s PRO 48 Ca -0.07 0.63 -0.30 0.00 0.02 0.00 0.00 61.00 61.28 2vur s PRO 48 Cb -0.10 -1.58 -0.06 0.00 0.02 0.00 0.00 34.50 32.78 2vur s PRO 48 CO -0.12 -3.59 1.40 0.99 -0.33 0.00 0.00 177.00 175.36 2vur s THR 49 N -2.61 3.71 0.47 0.99 2.01 -1.26 -4.99 115.64 113.95 2vur s THR 49 Ca 0.68 1.09 -0.23 0.00 0.31 0.00 0.00 61.69 63.54 2vur s THR 49 Cb -0.22 -3.70 -0.07 0.00 0.01 0.00 0.00 72.50 68.52 2vur s THR 49 CO 0.62 -0.00 1.22 -2.84 -0.69 0.00 0.00 174.62 172.93 2vur s PRO 50 N 2.39 3.68 0.10 4.92 0.02 -1.26 -4.60 135.00 140.25 2vur s PRO 50 Ca 0.64 1.92 -0.29 0.00 0.02 0.00 0.00 61.00 63.29 2vur s PRO 50 Cb -0.31 -2.44 -0.11 0.00 0.02 0.00 0.00 34.50 31.65 2vur s PRO 50 CO 0.26 -0.66 1.63 1.49 -0.33 0.00 0.00 177.00 179.39 2vur h GLU 51 N 2.05 -0.57 -4.46 5.54 4.57 -1.86 -3.41 114.58 116.44 2vur h GLU 51 Ca -0.50 0.04 -0.60 0.00 -1.18 0.00 0.00 59.36 57.13 2vur h GLU 51 Cb 1.26 0.13 -0.37 0.00 -0.16 0.00 0.00 28.75 29.61 2vur h GLU 51 CO 0.60 -0.38 -0.81 -0.80 -1.18 0.00 0.00 179.01 176.44 2vur s ASN 52 N -4.71 3.15 -0.04 1.04 0.01 -0.07 -5.03 114.94 109.29 2vur s ASN 52 Ca -0.16 -0.78 0.02 0.00 -0.71 0.00 0.00 52.86 51.23 2vur s ASN 52 Cb 0.07 -1.13 0.01 0.00 0.41 0.00 0.00 41.25 40.61 2vur s ASN 52 CO 0.64 -0.15 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.79 2vur s LEU 53 N 1.48 1.58 0.01 0.60 0.20 -1.26 -1.72 118.68 119.57 2vur s LEU 53 Ca 0.00 -0.18 0.03 0.00 0.69 0.00 0.00 54.13 54.66 2vur s LEU 53 Cb -0.16 -0.56 -0.01 0.00 -0.43 0.00 0.00 46.19 45.04 2vur s LEU 53 CO -0.08 0.01 -0.08 -1.83 -0.29 0.00 0.00 176.35 174.08 2vur s GLU 54 N 0.57 0.60 -0.23 1.98 -1.05 -0.89 -4.98 118.70 114.70 2vur s GLU 54 Ca -0.09 -0.44 -0.26 0.00 -0.15 0.00 0.00 54.97 54.03 2vur s GLU 54 Cb -0.12 -0.54 -0.00 0.00 -0.44 0.00 0.00 34.13 33.03 2vur s GLU 54 CO 0.01 0.14 0.91 0.14 0.95 0.00 0.00 175.26 177.41 2vur s VAL 55 N -0.54 4.78 -1.09 1.83 -7.23 -1.26 -1.29 120.40 115.59 2vur s VAL 55 Ca -0.00 1.76 0.11 0.00 -1.81 0.00 0.00 61.98 62.04 2vur s VAL 55 Cb -0.05 -4.20 0.01 0.00 0.56 0.00 0.00 36.38 32.70 2vur s VAL 55 CO 0.00 -0.10 0.71 1.33 -0.31 0.00 0.00 175.10 176.72 2vur n VAL 56 N 5.23 0.00 -3.63 1.32 0.24 -0.40 -4.97 118.33 116.12 2vur n VAL 56 Ca 0.08 -0.40 -0.06 0.00 -2.04 0.00 0.00 64.34 61.93 2vur n VAL 56 Cb 0.47 1.15 0.02 0.00 -1.47 0.00 0.00 33.84 34.01 2vur n VAL 56 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2vur n GLY 57 N 0.92 1.14 0.46 7.63 0.00 -1.22 -4.98 105.19 109.14 2vur n GLY 57 Ca 0.05 -1.17 0.14 0.00 0.00 0.00 0.00 46.02 45.04 2vur n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vur n ASP 58 N -1.33 1.43 0.00 1.61 8.00 -1.26 -4.34 116.55 120.66 2vur n ASP 58 Ca -0.05 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 53.95 2vur n ASP 58 Cb 0.44 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 2vur n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vur n GLY 59 N 1.16 0.21 3.03 0.44 0.00 -1.26 -3.29 105.19 105.48 2vur n GLY 59 Ca 0.19 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 2vur n GLY 59 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vur s PHE 60 N -2.95 0.40 -0.02 1.61 -0.12 -0.82 -4.86 117.98 111.21 2vur s PHE 60 Ca 0.00 -0.71 -0.25 0.00 -0.05 0.00 0.00 56.93 55.93 2vur s PHE 60 Cb 0.00 -0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 2vur s PHE 60 CO 0.00 -0.24 0.77 0.21 -0.05 0.00 0.00 175.22 175.91 2vur s LYS 61 N -2.30 4.47 0.37 1.99 2.20 -1.26 -1.91 119.74 123.30 2vur s LYS 61 Ca -0.07 1.02 -0.25 0.00 -0.36 0.00 0.00 55.97 56.31 2vur s LYS 61 Cb -0.04 -3.42 -0.09 0.00 -1.51 0.00 0.00 37.83 32.76 2vur s LYS 61 CO -0.04 0.11 1.05 0.42 -0.36 0.00 0.00 175.35 176.53 2vur s ILE 62 N 0.58 3.73 0.92 5.43 1.01 -0.05 -4.97 121.20 127.86 2vur s ILE 62 Ca 0.40 1.41 -0.12 0.00 0.00 0.00 0.00 60.65 62.34 2vur s ILE 62 Cb -0.19 -3.77 0.14 0.00 0.01 0.00 0.00 42.46 38.66 2vur s ILE 62 CO 0.21 0.08 1.10 0.42 0.00 0.00 0.00 174.94 176.76 2vur s THR 63 N -1.57 2.36 0.14 2.92 -4.23 -1.26 -4.88 115.64 109.13 2vur s THR 63 Ca 0.55 0.12 0.28 0.00 -1.18 0.00 0.00 61.69 61.45 2vur s THR 63 Cb -0.23 -2.71 0.29 0.00 1.34 0.00 0.00 72.50 71.19 2vur s THR 63 CO 0.29 -0.15 1.90 0.28 -0.54 0.00 0.00 174.62 176.40 2vur h SER 64 N -1.59 0.00 -3.94 3.99 0.02 -1.95 -3.43 113.55 106.65 2vur h SER 64 Ca -0.51 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.20 2vur h SER 64 Cb 1.31 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.58 2vur h SER 64 CO 0.58 0.14 -0.72 -0.55 -1.14 0.00 0.00 176.83 175.14 2vur s SER 65 N -6.02 0.17 0.29 3.07 0.15 -1.26 -1.12 113.70 108.98 2vur s SER 65 Ca 0.00 -0.09 0.07 0.00 0.70 0.00 0.00 55.95 56.63 2vur s SER 65 Cb 0.10 0.00 -0.06 0.00 -1.71 0.00 0.00 66.02 64.35 2vur s SER 65 CO 0.60 -0.03 -0.06 0.27 1.20 0.00 0.00 173.24 175.22 2vur s ILE 66 N -0.24 1.74 -0.15 6.45 -5.25 -0.13 -4.19 121.20 119.44 2vur s ILE 66 Ca -0.02 -2.14 -0.17 0.00 -0.99 0.00 0.00 60.65 57.33 2vur s ILE 66 Cb -0.02 -2.48 -0.04 0.00 2.95 0.00 0.00 42.46 42.87 2vur s ILE 66 CO -0.00 -0.28 0.43 0.20 -1.79 0.00 0.00 174.94 173.50 2vur s ASN 67 N -3.47 6.59 -0.17 4.36 0.01 0.19 -0.59 114.94 121.86 2vur s ASN 67 Ca 0.30 0.70 -0.01 0.00 -0.71 0.00 0.00 52.86 53.14 2vur s ASN 67 Cb 0.03 -2.26 -0.01 0.00 0.41 0.00 0.00 41.25 39.43 2vur s ASN 67 CO 0.13 -0.01 -0.11 -0.22 -1.51 0.00 0.00 177.10 175.38 2vur s LEU 68 N 0.77 2.69 -0.04 0.60 2.96 -1.26 -0.59 118.68 123.82 2vur s LEU 68 Ca 0.23 -0.39 0.06 0.00 -0.22 0.00 0.00 54.13 53.81 2vur s LEU 68 Cb -0.15 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 2vur s LEU 68 CO 0.08 0.08 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.29 2vur s VAL 69 N 0.84 1.78 0.00 1.68 1.01 -0.15 -4.80 120.40 120.76 2vur s VAL 69 Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2vur s VAL 69 Cb -0.15 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2vur s VAL 69 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2vur n GLY 70 N 2.81 0.52 0.35 4.51 0.00 -1.26 -1.45 105.19 110.67 2vur n GLY 70 Ca -0.17 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.03 2vur n GLY 70 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2vur h GLU 71 N 4.04 0.00 0.00 1.61 9.09 -1.87 0.12 114.58 127.57 2vur h GLU 71 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.29 2vur h GLU 71 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 2vur h GLU 71 CO 0.00 0.00 -0.57 0.93 0.05 0.00 0.00 179.01 179.42 2vur h GLU 72 N 0.00 0.00 0.00 1.06 3.07 -1.93 -3.32 114.58 113.46 2vur h GLU 72 Ca 0.15 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.70 2vur h GLU 72 Cb 0.68 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.53 2vur h GLU 72 CO -0.00 0.57 -2.15 0.39 -1.40 0.00 0.00 179.01 176.42 2vur n GLU 73 N -3.35 0.67 -1.47 2.33 4.71 -0.05 -5.00 120.64 118.48 2vur n GLU 73 Ca 0.01 0.06 -0.33 0.00 -0.01 0.00 0.00 57.16 56.89 2vur n GLU 73 Cb 0.71 -1.60 0.08 0.00 -1.01 0.00 0.00 31.44 29.62 2vur n GLU 73 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2vur s ALA 74 N -2.62 2.26 -0.01 0.62 0.00 0.23 -4.81 121.76 117.43 2vur s ALA 74 Ca -0.08 0.53 -0.38 0.00 0.00 0.00 0.00 51.96 52.04 2vur s ALA 74 Cb 0.07 -3.34 -0.16 0.00 0.00 0.00 0.00 23.12 19.68 2vur s ALA 74 CO 0.83 -1.65 1.46 -3.47 0.00 0.00 0.00 175.76 172.94 2vur n ASP 75 N -2.93 1.89 -0.21 0.00 -0.08 -1.26 -4.88 116.55 109.08 2vur n ASP 75 Ca 0.11 1.10 -0.06 0.00 -1.51 0.00 0.00 54.79 54.43 2vur n ASP 75 Cb 0.52 -1.18 0.03 0.00 2.34 0.00 0.00 41.12 42.83 2vur n ASP 75 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2vur h GLU 76 N 5.36 0.79 -0.07 -0.67 4.81 -1.91 -1.70 114.58 121.19 2vur h GLU 76 Ca -0.47 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 58.57 2vur h GLU 76 Cb 1.33 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2vur h GLU 76 CO 0.83 0.54 -0.52 -0.91 -0.73 0.00 0.00 179.01 178.22 2vur h ASN 77 N 0.80 0.20 -0.39 1.04 -0.26 -1.90 0.01 115.58 115.08 2vur h ASN 77 Ca 0.22 -0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.83 2vur h ASN 77 Cb -0.06 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 2vur h ASN 77 CO -0.04 0.68 0.14 0.00 -1.06 0.00 0.00 177.43 177.15 2vur h ALA 78 N 1.32 0.51 -0.27 -0.83 0.00 -1.81 -2.27 119.26 115.90 2vur h ALA 78 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 2vur h ALA 78 Cb 0.97 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2vur h ALA 78 CO 0.08 0.14 -0.47 0.28 0.00 0.00 0.00 179.25 179.28 2vur h VAL 79 N 0.49 1.29 -0.73 0.00 2.07 -1.11 -0.58 116.25 117.69 2vur h VAL 79 Ca 0.13 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 2vur h VAL 79 Cb 0.23 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2vur h VAL 79 CO -0.01 0.54 0.32 0.78 0.02 0.00 0.00 177.57 179.22 2vur h ASN 80 N 0.58 0.96 -0.31 0.57 4.21 -1.01 -0.36 115.58 120.22 2vur h ASN 80 Ca 0.03 -0.12 -0.12 0.00 1.21 0.00 0.00 56.30 57.30 2vur h ASN 80 Cb 1.03 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.97 2vur h ASN 80 CO 0.10 0.83 -0.22 0.00 -1.29 0.00 0.00 177.43 176.85 2vur h ALA 81 N 1.31 0.86 0.06 -0.83 0.00 -1.20 -2.28 119.26 117.19 2vur h ALA 81 Ca 0.25 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2vur h ALA 81 Cb 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2vur h ALA 81 CO -0.03 0.63 -0.03 1.25 0.00 0.00 0.00 179.25 181.08 2vur h LEU 82 N 0.69 -0.07 -0.61 0.00 5.85 -0.51 -2.72 115.31 117.94 2vur h LEU 82 Ca 0.10 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.71 2vur h LEU 82 Cb 0.74 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.72 2vur h LEU 82 CO 0.06 0.16 0.24 0.03 -0.34 0.00 0.00 178.44 178.58 2vur h ARG 83 N -0.30 0.42 -0.42 1.25 3.08 -1.09 -0.49 114.38 116.82 2vur h ARG 83 Ca -0.01 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 2vur h ARG 83 Cb 0.26 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2vur h ARG 83 CO 0.01 0.27 0.00 1.05 -1.07 0.00 0.00 179.97 180.24 2vur h GLU 84 N 0.43 0.67 -0.43 0.04 4.11 -1.41 -0.81 114.58 117.17 2vur h GLU 84 Ca 0.30 -0.16 -0.07 0.00 0.07 0.00 0.00 59.36 59.50 2vur h GLU 84 Cb 0.36 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2vur h GLU 84 CO -0.29 0.69 -0.01 0.35 0.07 0.00 0.00 179.01 179.81 2vur h PHE 85 N 0.63 0.85 -0.01 2.06 3.57 -1.09 -2.12 116.94 120.83 2vur h PHE 85 Ca 0.13 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2vur h PHE 85 Cb 0.39 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2vur h PHE 85 CO 0.02 0.84 0.00 -0.07 -2.23 0.00 0.00 178.31 176.87 2vur h LEU 86 N 0.61 0.01 -0.51 0.59 4.07 -0.76 -2.00 115.31 117.32 2vur h LEU 86 Ca 0.12 -0.29 0.10 0.00 0.08 0.00 0.00 57.88 57.89 2vur h LEU 86 Cb 0.51 -0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.17 2vur h LEU 86 CO 0.03 0.30 0.02 0.74 -1.08 0.00 0.00 178.44 178.45 2vur h THR 87 N -0.27 0.62 0.00 0.22 2.02 -1.22 -1.30 112.91 112.97 2vur h THR 87 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2vur h THR 87 Cb 0.29 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2vur h THR 87 CO 0.00 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.92 2vur h ALA 88 N 1.45 1.00 -0.07 6.16 0.00 -1.20 -3.07 119.26 123.53 2vur h ALA 88 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2vur h ALA 88 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2vur h ALA 88 CO -0.41 0.00 0.00 0.09 0.00 0.00 0.00 179.25 178.93 2vur n ASN 89 N -2.56 2.68 -1.49 0.00 3.02 -0.77 -4.98 115.26 111.16 2vur n ASN 89 Ca 0.00 -2.96 -0.16 0.00 -0.03 0.00 0.00 54.58 51.44 2vur n ASN 89 Cb 0.19 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 38.91 2vur n ASN 89 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2vur n ASN 90 N -1.11 -4.78 -4.41 6.41 3.02 -0.99 -4.99 115.26 108.41 2vur n ASN 90 Ca 0.16 0.18 -0.40 0.00 -0.03 0.00 0.00 54.58 54.49 2vur n ASN 90 Cb 0.66 -3.78 -0.11 0.00 -0.61 0.00 0.00 39.78 35.94 2vur n ASN 90 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2vur s ILE 91 N -2.68 4.69 0.55 2.41 1.01 -0.56 -4.86 121.20 121.75 2vur s ILE 91 Ca 0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.81 2vur s ILE 91 Cb 0.00 -3.55 -0.07 0.00 0.01 0.00 0.00 42.46 38.86 2vur s ILE 91 CO 0.00 -0.15 1.00 -1.61 0.00 0.00 0.00 174.94 174.18 2vur s GLU 92 N 1.59 3.83 -0.18 2.79 0.41 -0.27 -4.31 118.70 122.56 2vur s GLU 92 Ca 0.03 0.88 -0.06 0.00 -0.41 0.00 0.00 54.97 55.41 2vur s GLU 92 Cb -0.18 -2.12 -0.03 0.00 -1.78 0.00 0.00 34.13 30.01 2vur s GLU 92 CO 0.07 -0.37 0.02 0.96 -0.49 0.00 0.00 175.26 175.45 2vur s ILE 93 N -2.81 4.32 0.59 -1.63 -4.36 -1.26 -0.95 121.20 115.10 2vur s ILE 93 Ca 0.57 -0.20 -0.19 0.00 -0.26 0.00 0.00 60.65 60.57 2vur s ILE 93 Cb -0.10 -2.93 -0.03 0.00 1.25 0.00 0.00 42.46 40.64 2vur s ILE 93 CO 0.39 0.46 1.27 0.20 0.24 0.00 0.00 174.94 177.50 2vur s ASN 94 N 0.52 5.08 0.00 4.36 0.01 0.24 -4.89 114.94 120.27 2vur s ASN 94 Ca 0.00 2.54 0.11 0.00 -0.71 0.00 0.00 52.86 54.81 2vur s ASN 94 Cb -0.13 -2.61 -0.22 0.00 0.41 0.00 0.00 41.25 38.69 2vur s ASN 94 CO 0.02 -1.68 0.84 0.28 -1.51 0.00 0.00 177.10 175.05 2vur h SER 95 N 0.98 0.00 -4.80 -1.22 0.02 -1.99 -3.46 113.55 103.08 2vur h SER 95 Ca -0.51 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.27 2vur h SER 95 Cb 1.31 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.63 2vur h SER 95 CO 0.55 1.00 -0.66 -1.83 -1.14 0.00 0.00 176.83 174.75 2vur s GLU 96 N -2.63 0.30 0.26 3.45 1.03 -1.26 -5.14 118.70 114.70 2vur s GLU 96 Ca -0.03 -0.48 -0.30 0.00 0.03 0.00 0.00 54.97 54.19 2vur s GLU 96 Cb 0.09 0.11 -0.14 0.00 -0.80 0.00 0.00 34.13 33.38 2vur s GLU 96 CO 0.82 -0.05 1.11 -1.71 -1.33 0.00 0.00 175.26 174.10 2vur n ASN 97 N 1.79 1.54 -3.65 0.83 5.15 -1.26 -5.01 115.26 114.64 2vur n ASN 97 Ca -0.22 1.17 -0.20 0.00 -0.60 0.00 0.00 54.58 54.72 2vur n ASN 97 Cb 0.56 -1.29 -0.17 0.00 -0.53 0.00 0.00 39.78 38.34 2vur n ASN 97 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2vur s ASP 98 N -0.31 1.28 0.37 1.20 -1.08 -1.26 -5.03 116.67 111.83 2vur s ASP 98 Ca 0.63 -0.00 0.10 0.00 -0.52 0.00 0.00 52.55 52.76 2vur s ASP 98 Cb -0.73 -0.06 0.86 0.00 -1.46 0.00 0.00 42.92 41.53 2vur s ASP 98 CO 0.57 -0.27 1.87 1.55 0.52 0.00 0.00 175.17 179.41 2vur h PRO 99 N 8.42 0.63 0.00 4.34 0.13 -2.00 -2.07 132.00 141.44 2vur h PRO 99 Ca -0.13 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2vur h PRO 99 Cb 1.13 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 2vur h PRO 99 CO 0.18 0.41 -0.01 -0.91 -0.23 0.00 0.00 178.00 177.44 2vur h ASN 100 N 0.65 0.00 -3.40 1.44 4.21 -2.00 -3.45 115.58 113.03 2vur h ASN 100 Ca 0.45 0.00 -0.50 0.00 1.21 0.00 0.00 56.30 57.46 2vur h ASN 100 Cb 0.77 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.98 2vur h ASN 100 CO -0.20 0.01 0.00 -0.44 -1.29 0.00 0.00 177.43 175.51 2vur s SER 101 N -5.50 6.39 0.33 5.81 0.01 -0.78 -4.99 113.70 114.96 2vur s SER 101 Ca -0.04 0.86 -0.29 0.00 1.31 0.00 0.00 55.95 57.79 2vur s SER 101 Cb 0.13 -2.21 -0.10 0.00 0.21 0.00 0.00 66.02 64.05 2vur s SER 101 CO 0.46 -0.39 1.30 -0.89 0.41 0.00 0.00 173.24 174.14 2vur s THR 102 N -2.40 2.74 -0.21 1.44 2.01 -1.26 -4.72 115.64 113.24 2vur s THR 102 Ca 0.46 0.74 -0.10 0.00 0.31 0.00 0.00 61.69 63.11 2vur s THR 102 Cb -0.10 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 2vur s THR 102 CO 0.36 0.18 0.12 -0.89 -0.69 0.00 0.00 174.62 173.70 2vur s THR 103 N -1.10 5.24 -0.15 -0.82 2.01 -0.20 0.56 115.64 121.17 2vur s THR 103 Ca 0.49 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.63 2vur s THR 103 Cb -0.40 -3.40 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 2vur s THR 103 CO 0.52 0.42 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.49 2vur s LEU 104 N 0.58 2.42 -0.10 4.42 0.20 0.24 -0.35 118.68 126.09 2vur s LEU 104 Ca 0.07 -0.49 0.04 0.00 0.69 0.00 0.00 54.13 54.44 2vur s LEU 104 Cb -0.12 -1.54 -0.00 0.00 -0.43 0.00 0.00 46.19 44.09 2vur s LEU 104 CO 0.00 0.09 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.29 2vur s ILE 105 N 0.79 2.13 0.02 6.68 1.09 0.16 -0.98 121.20 131.09 2vur s ILE 105 Ca -0.06 -1.00 0.02 0.00 -1.10 0.00 0.00 60.65 58.52 2vur s ILE 105 Cb -0.15 -1.81 -0.01 0.00 -1.06 0.00 0.00 42.46 39.42 2vur s ILE 105 CO 0.00 0.56 -0.08 -0.51 -0.10 0.00 0.00 174.94 174.81 2vur s ILE 106 N 0.30 0.58 0.00 2.92 2.07 -0.53 -0.37 121.20 126.17 2vur s ILE 106 Ca -0.17 -0.64 0.00 0.00 -1.41 0.00 0.00 60.65 58.42 2vur s ILE 106 Cb -0.18 -0.55 0.00 0.00 0.13 0.00 0.00 42.46 41.86 2vur s ILE 106 CO 0.08 -0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 2vur n GLY 107 N 2.28 0.87 3.93 1.50 0.00 -0.88 -4.33 105.19 108.56 2vur n GLY 107 Ca -0.17 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 2vur n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vur s GLU 108 N -2.00 3.31 0.45 1.61 8.01 -1.26 -2.10 118.70 126.71 2vur s GLU 108 Ca 0.00 -0.79 0.16 0.00 0.01 0.00 0.00 54.97 54.34 2vur s GLU 108 Cb 0.00 -2.83 1.08 0.00 -4.31 0.00 0.00 34.13 28.08 2vur s GLU 108 CO 0.00 0.45 1.98 -0.39 0.01 0.00 0.00 175.26 177.30 2vur h VAL 109 N 1.38 0.86 0.00 2.63 -1.51 -1.66 -1.36 116.25 116.58 2vur h VAL 109 Ca -0.50 -0.12 -0.01 0.00 -1.23 0.00 0.00 66.70 64.84 2vur h VAL 109 Cb 1.22 0.48 -0.00 0.00 -2.13 0.00 0.00 31.29 30.86 2vur h VAL 109 CO 0.63 0.06 -0.03 0.44 -1.23 0.00 0.00 177.57 177.44 2vur h ASP 110 N 0.35 0.00 -4.05 4.19 3.32 -1.88 -3.43 116.42 114.92 2vur h ASP 110 Ca 0.28 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.83 2vur h ASP 110 Cb 0.64 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.24 2vur h ASP 110 CO -0.07 0.03 0.30 -1.81 -1.72 0.00 0.00 179.24 175.97 2vur s ASP 111 N -6.62 6.26 -0.56 6.45 1.01 -0.52 -5.04 116.67 117.65 2vur s ASP 111 Ca -0.05 1.24 -0.04 0.00 0.71 0.00 0.00 52.55 54.41 2vur s ASP 111 Cb 0.16 -2.39 0.15 0.00 1.01 0.00 0.00 42.92 41.85 2vur s ASP 111 CO 0.62 -0.74 0.38 -0.62 0.21 0.00 0.00 175.17 175.01 2vur s ASP 112 N -4.09 5.35 -0.19 0.27 3.68 -1.26 -4.91 116.67 115.52 2vur s ASP 112 Ca 0.52 -2.53 0.00 0.00 2.13 0.00 0.00 52.55 52.67 2vur s ASP 112 Cb -0.11 -1.88 0.04 0.00 -1.45 0.00 0.00 42.92 39.53 2vur s ASP 112 CO 0.49 -0.46 -0.07 -0.63 0.13 0.00 0.00 175.17 174.64 2vur s ILE 113 N 0.41 1.36 0.11 4.11 -1.09 -1.26 -5.03 121.20 119.81 2vur s ILE 113 Ca 0.14 -0.84 -0.18 0.00 -2.23 0.00 0.00 60.65 57.54 2vur s ILE 113 Cb -0.21 -1.51 -0.05 0.00 -1.58 0.00 0.00 42.46 39.11 2vur s ILE 113 CO -0.04 0.12 1.60 -0.65 -1.23 0.00 0.00 174.94 174.75 2vur h PRO 114 N 8.04 0.48 -0.60 2.79 0.11 -2.01 -3.08 132.00 137.73 2vur h PRO 114 Ca -0.25 -0.11 0.14 0.00 0.11 0.00 0.00 66.00 65.88 2vur h PRO 114 Cb 1.10 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2vur h PRO 114 CO 0.43 0.55 0.41 0.93 -0.21 0.00 0.00 178.00 180.12 2vur h GLU 115 N 0.32 0.21 -0.09 1.05 3.07 -2.01 -2.38 114.58 114.75 2vur h GLU 115 Ca 0.09 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.88 2vur h GLU 115 Cb 0.28 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2vur h GLU 115 CO 0.00 0.14 -0.19 1.25 -1.40 0.00 0.00 179.01 178.81 2vur h LEU 116 N 0.21 0.32 0.47 1.33 5.85 -1.93 -2.96 115.31 118.60 2vur h LEU 116 Ca 0.29 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2vur h LEU 116 Cb 0.84 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2vur h LEU 116 CO -0.05 0.83 -0.30 0.44 -0.34 0.00 0.00 178.44 179.02 2vur h ASP 117 N -0.18 -0.75 -0.32 1.25 3.32 -1.40 -1.24 116.42 117.10 2vur h ASP 117 Ca 0.00 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2vur h ASP 117 Cb 0.78 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 2vur h ASP 117 CO 0.04 -0.47 0.11 -0.33 -1.72 0.00 0.00 179.24 176.88 2vur h GLU 118 N -0.73 0.56 -0.33 3.56 5.08 -1.68 -0.99 114.58 120.05 2vur h GLU 118 Ca -0.05 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 2vur h GLU 118 Cb 0.60 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2vur h GLU 118 CO 0.05 0.50 -0.26 0.00 -1.00 0.00 0.00 179.01 178.30 2vur h ALA 119 N 1.57 0.92 -0.15 3.43 0.00 -1.33 -3.09 119.26 120.62 2vur h ALA 119 Ca 0.13 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 2vur h ALA 119 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2vur h ALA 119 CO -0.01 0.62 -0.34 -0.07 0.00 0.00 0.00 179.25 179.45 2vur h LEU 120 N 0.59 0.55 -2.47 0.00 3.38 -0.96 -3.47 115.31 112.94 2vur h LEU 120 Ca 0.08 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 2vur h LEU 120 Cb 0.75 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.35 2vur h LEU 120 CO 0.06 1.03 -0.10 -3.20 0.09 0.00 0.00 178.44 176.31 2vur n ASN 121 N -4.34 -7.57 0.00 -0.43 5.15 -0.40 -3.34 115.26 104.33 2vur n ASN 121 Ca -0.07 -0.15 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 2vur n ASN 121 Cb 0.50 -5.07 0.00 0.00 -0.53 0.00 0.00 39.78 34.68 2vur n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vur n GLY 122 N -1.75 2.22 3.70 8.20 0.00 -1.26 -5.01 105.19 111.29 2vur n GLY 122 Ca -0.02 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 2vur n GLY 122 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vur s THR 123 N -0.71 3.38 0.01 2.61 2.01 -1.21 -5.00 115.64 116.72 2vur s THR 123 Ca 0.00 0.90 -0.01 0.00 0.31 0.00 0.00 61.69 62.88 2vur s THR 123 Cb 0.00 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 2vur s THR 123 CO 0.00 0.03 0.02 0.28 -0.69 0.00 0.00 174.62 174.26 2vur s THR 124 N 1.86 0.07 -1.50 -0.82 -1.32 -1.26 -4.80 115.64 107.87 2vur s THR 124 Ca 0.66 -0.54 0.25 0.00 -1.21 0.00 0.00 61.69 60.85 2vur s THR 124 Cb -0.36 -0.21 0.12 0.00 -1.51 0.00 0.00 72.50 70.55 2vur s THR 124 CO 0.29 -0.30 1.42 0.00 -2.21 0.00 0.00 174.62 173.82 2vur n ALA 125 N 2.12 3.40 -0.30 11.08 0.00 -1.26 -4.61 120.51 130.95 2vur n ALA 125 Ca -0.19 -0.43 -0.02 0.00 0.00 0.00 0.00 53.44 52.79 2vur n ALA 125 Cb 0.57 -1.06 0.04 0.00 0.00 0.00 0.00 19.45 18.99 2vur n ALA 125 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2vur h GLU 126 N 0.89 -0.07 -0.88 0.00 4.57 -1.94 -2.14 114.58 115.01 2vur h GLU 126 Ca 0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.96 2vur h GLU 126 Cb 0.53 0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 29.00 2vur h GLU 126 CO 0.00 -0.05 0.28 0.09 -1.18 0.00 0.00 179.01 178.16 2vur n ASN 127 N -5.47 3.90 -4.75 1.04 3.02 -1.26 -4.94 115.26 106.81 2vur n ASN 127 Ca 0.08 -2.96 -0.24 0.00 -0.03 0.00 0.00 54.58 51.43 2vur n ASN 127 Cb 0.39 -0.70 -0.06 0.00 -0.61 0.00 0.00 39.78 38.80 2vur n ASN 127 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2vur s LEU 128 N -2.22 3.57 1.08 3.41 1.43 -0.81 -5.12 118.68 120.03 2vur s LEU 128 Ca 0.40 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 2vur s LEU 128 Cb 0.33 -2.15 0.24 0.00 0.03 0.00 0.00 46.19 44.64 2vur s LEU 128 CO 0.09 0.02 1.07 -1.59 0.23 0.00 0.00 176.35 176.17 2vur s LYS 129 N -3.44 -0.26 0.64 1.70 -2.85 -1.26 -4.86 119.74 109.40 2vur s LYS 129 Ca 0.31 0.53 -0.17 0.00 -1.00 0.00 0.00 55.97 55.64 2vur s LYS 129 Cb -0.08 -1.65 -0.04 0.00 -2.06 0.00 0.00 37.83 33.99 2vur s LYS 129 CO 0.22 -3.21 0.80 0.39 0.10 0.00 0.00 175.35 173.66 2vur n GLU 130 N -4.51 0.64 -0.77 1.78 1.02 -1.26 -1.80 120.64 115.74 2vur n GLU 130 Ca 0.05 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 2vur n GLU 130 Cb 0.57 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 2vur n GLU 130 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2vur n GLU 131 N -0.95 -0.35 -2.59 3.49 1.02 -1.26 -4.67 120.64 115.34 2vur n GLU 131 Ca 0.13 0.09 -0.32 0.00 -0.02 0.00 0.00 57.16 57.03 2vur n GLU 131 Cb 0.48 -3.92 -0.05 0.00 -0.02 0.00 0.00 31.44 27.94 2vur n GLU 131 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2vur s GLY 132 N -2.00 2.17 0.13 0.62 0.00 -0.75 -4.11 107.32 103.38 2vur s GLY 132 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.83 2vur s GLY 132 CO 0.00 0.48 0.29 -2.52 0.00 0.00 0.00 173.10 171.36 2vur s TYR 133 N -2.45 0.16 -0.05 1.90 -0.85 -0.61 0.11 117.35 115.57 2vur s TYR 133 Ca 0.59 -0.54 0.06 0.00 -0.52 0.00 0.00 57.07 56.67 2vur s TYR 133 Cb -0.10 0.04 -0.01 0.00 0.38 0.00 0.00 41.96 42.27 2vur s TYR 133 CO 0.25 -0.67 -0.24 0.00 -1.52 0.00 0.00 175.55 173.37 2vur s ALA 134 N -3.89 2.07 -0.03 9.51 0.00 0.24 -1.54 121.76 128.12 2vur s ALA 134 Ca 0.10 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.06 2vur s ALA 134 Cb 0.03 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2vur s ALA 134 CO -0.06 0.43 -0.08 -1.17 0.00 0.00 0.00 175.76 174.88 2vur s LEU 135 N -0.26 1.67 -0.08 0.00 0.20 -0.36 0.33 118.68 120.19 2vur s LEU 135 Ca 0.00 -0.17 -0.01 0.00 0.69 0.00 0.00 54.13 54.63 2vur s LEU 135 Cb -0.12 -0.52 0.03 0.00 -0.43 0.00 0.00 46.19 45.14 2vur s LEU 135 CO 0.02 0.03 0.00 -0.69 -0.29 0.00 0.00 176.35 175.43 2vur s VAL 136 N 0.40 0.37 -0.32 1.68 1.01 -0.08 -0.41 120.40 123.04 2vur s VAL 136 Ca -0.06 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 2vur s VAL 136 Cb -0.10 -0.55 0.06 0.00 0.00 0.00 0.00 36.38 35.79 2vur s VAL 136 CO 0.01 0.24 0.04 -0.94 0.00 0.00 0.00 175.10 174.45 2vur s SER 137 N 1.97 4.99 -0.02 3.32 1.04 -0.71 -0.20 113.70 124.09 2vur s SER 137 Ca 0.05 -1.39 -0.01 0.00 0.48 0.00 0.00 55.95 55.08 2vur s SER 137 Cb -0.12 -1.74 0.02 0.00 0.10 0.00 0.00 66.02 64.27 2vur s SER 137 CO -0.05 -0.31 0.04 0.21 0.98 0.00 0.00 173.24 174.10 2vur s ASN 138 N 1.35 0.01 0.00 7.02 3.04 0.35 -2.14 114.94 124.56 2vur s ASN 138 Ca -0.02 0.06 0.00 0.00 0.04 0.00 0.00 52.86 52.94 2vur s ASN 138 Cb -0.20 0.01 0.00 0.00 -1.54 0.00 0.00 41.25 39.52 2vur s ASN 138 CO -0.01 -0.07 0.00 -0.90 -3.04 0.00 0.00 177.10 173.08 2vur n ASP 139 N 3.60 0.00 0.00 -4.21 5.75 -1.26 -0.89 116.55 119.53 2vur n ASP 139 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.59 2vur n ASP 139 Cb 0.55 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 2vur n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vur n GLY 140 N -0.14 0.99 3.10 6.12 0.00 -1.26 -5.05 105.19 108.96 2vur n GLY 140 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2vur n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vur s LYS 141 N -0.49 0.78 -0.13 1.61 -2.85 -0.07 -1.04 119.74 117.56 2vur s LYS 141 Ca 0.00 -0.68 0.00 0.00 -1.00 0.00 0.00 55.97 54.29 2vur s LYS 141 Cb 0.00 -0.74 0.02 0.00 -2.06 0.00 0.00 37.83 35.05 2vur s LYS 141 CO 0.00 0.18 -0.11 0.42 0.10 0.00 0.00 175.35 175.94 2vur s ILE 142 N -0.85 1.31 -0.10 3.79 1.01 0.52 -0.50 121.20 126.38 2vur s ILE 142 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2vur s ILE 142 Cb -0.07 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 2vur s ILE 142 CO 0.01 0.41 -0.11 0.00 0.00 0.00 0.00 174.94 175.25 2vur s ALA 143 N 1.53 2.74 -0.20 9.38 0.00 0.72 -0.67 121.76 135.27 2vur s ALA 143 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.10 2vur s ALA 143 Cb -0.13 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 21.83 2vur s ALA 143 CO -0.09 0.38 -0.11 0.42 0.00 0.00 0.00 175.76 176.36 2vur s ILE 144 N -0.12 1.69 -0.27 0.00 1.01 0.50 -0.91 121.20 123.12 2vur s ILE 144 Ca -0.00 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.61 2vur s ILE 144 Cb -0.13 -1.77 0.07 0.00 0.01 0.00 0.00 42.46 40.64 2vur s ILE 144 CO 0.03 0.17 -0.06 -0.70 0.00 0.00 0.00 174.94 174.38 2vur s GLU 145 N 1.37 1.88 0.52 2.79 2.12 0.15 -2.07 118.70 125.46 2vur s GLU 145 Ca -0.02 -1.31 -0.17 0.00 0.36 0.00 0.00 54.97 53.84 2vur s GLU 145 Cb -0.16 -2.81 -0.07 0.00 0.26 0.00 0.00 34.13 31.34 2vur s GLU 145 CO -0.08 -0.65 1.00 0.20 -0.54 0.00 0.00 175.26 175.19 2vur s GLY 146 N 1.18 2.16 0.21 -1.50 0.00 -0.89 0.82 107.32 109.30 2vur s GLY 146 Ca -0.04 0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.94 2vur s GLY 146 CO -0.07 0.59 1.58 1.70 0.00 0.00 0.00 173.10 176.90 2vur h LYS 147 N 0.98 0.61 0.00 2.90 1.63 0.52 -2.56 116.57 120.64 2vur h LYS 147 Ca -0.47 -0.31 -0.27 0.00 -0.85 0.00 0.00 60.65 58.75 2vur h LYS 147 Cb 1.20 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.77 2vur h LYS 147 CO 0.60 0.91 -0.15 -0.40 -3.45 0.00 0.00 179.45 176.96 2vur n ASP 148 N -4.03 -1.22 -0.22 4.20 5.75 -1.26 -4.40 116.55 115.37 2vur n ASP 148 Ca -0.02 -2.75 0.02 0.00 -0.01 0.00 0.00 54.79 52.04 2vur n ASP 148 Cb 0.52 2.29 0.13 0.00 -1.03 0.00 0.00 41.12 43.03 2vur n ASP 148 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2vur h GLY 149 N 1.81 0.85 0.80 6.12 0.00 -1.96 -0.71 103.07 109.98 2vur h GLY 149 Ca -0.25 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.10 2vur h GLY 149 CO 0.34 -0.14 0.56 -0.55 0.00 0.00 0.00 176.54 176.75 2vur h ASP 150 N 0.26 0.91 0.24 0.19 3.32 -1.96 -2.42 116.42 116.97 2vur h ASP 150 Ca 0.35 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.27 2vur h ASP 150 Cb 0.55 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2vur h ASP 150 CO -0.44 0.61 -0.54 1.23 -1.72 0.00 0.00 179.24 178.37 2vur h GLY 151 N 1.06 0.35 0.81 2.75 0.00 -1.33 -2.20 103.07 104.52 2vur h GLY 151 Ca 0.37 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2vur h GLY 151 CO -0.15 0.36 0.02 -0.84 0.00 0.00 0.00 176.54 175.94 2vur h THR 152 N 0.25 1.22 -0.78 4.70 2.02 -1.05 -0.82 112.91 118.44 2vur h THR 152 Ca 0.00 -0.70 0.11 0.00 0.77 0.00 0.00 66.41 66.60 2vur h THR 152 Cb 1.03 1.40 -0.08 0.00 -1.74 0.00 0.00 68.15 68.76 2vur h THR 152 CO 0.09 0.21 0.41 0.15 0.37 0.00 0.00 175.52 176.74 2vur h PHE 153 N 0.03 0.73 -0.04 3.16 3.57 -1.30 -1.27 116.94 121.81 2vur h PHE 153 Ca 0.04 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 2vur h PHE 153 Cb 0.30 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2vur h PHE 153 CO 0.02 0.24 -0.60 1.88 -2.23 0.00 0.00 178.31 177.62 2vur h TYR 154 N 0.65 0.16 -0.39 0.41 0.05 -1.20 -2.23 116.97 114.42 2vur h TYR 154 Ca 0.40 -0.06 0.05 0.00 0.05 0.00 0.00 58.73 59.17 2vur h TYR 154 Cb 0.46 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.13 2vur h TYR 154 CO -0.09 0.69 0.10 0.78 -1.05 0.00 0.00 178.16 178.59 2vur h GLY 155 N 1.62 0.48 1.01 3.88 0.00 -0.07 -1.68 103.07 108.31 2vur h GLY 155 Ca -0.01 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.28 2vur h GLY 155 CO 0.09 -0.01 0.56 -2.08 0.00 0.00 0.00 176.54 175.10 2vur h VAL 156 N 0.24 1.22 -0.76 4.60 2.07 -0.96 -0.44 116.25 122.22 2vur h VAL 156 Ca 0.18 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2vur h VAL 156 Cb 0.20 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 29.90 2vur h VAL 156 CO -0.22 0.22 0.48 1.56 0.02 0.00 0.00 177.57 179.63 2vur h GLN 157 N 1.17 1.02 -0.46 1.57 1.08 -1.03 0.17 115.11 118.63 2vur h GLN 157 Ca 0.31 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 57.35 2vur h GLN 157 Cb -0.12 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.07 2vur h GLN 157 CO -0.07 0.71 -0.04 1.15 -0.95 0.00 0.00 178.83 179.63 2vur h THR 158 N 1.04 1.27 -0.35 -0.54 2.02 -1.02 -2.73 112.91 112.60 2vur h THR 158 Ca 0.28 -1.12 0.05 0.00 0.77 0.00 0.00 66.41 66.39 2vur h THR 158 Cb -0.07 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 2vur h THR 158 CO -0.06 0.39 0.07 0.15 0.37 0.00 0.00 175.52 176.44 2vur h PHE 159 N 0.68 0.11 -0.91 3.16 3.57 -0.38 0.05 116.94 123.23 2vur h PHE 159 Ca 0.13 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.71 2vur h PHE 159 Cb 0.56 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 2vur h PHE 159 CO 0.04 0.02 0.57 0.87 -2.23 0.00 0.00 178.31 177.58 2vur h LYS 160 N 0.19 1.01 -0.01 1.11 1.57 -0.62 -1.75 116.57 118.06 2vur h LYS 160 Ca 0.16 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 2vur h LYS 160 Cb 0.19 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2vur h LYS 160 CO -0.22 0.67 -0.75 1.96 -0.57 0.00 0.00 179.45 180.53 2vur h GLN 161 N 1.04 0.06 -0.11 3.15 4.20 -1.13 -3.27 115.11 119.04 2vur h GLN 161 Ca 0.40 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.97 2vur h GLN 161 Cb 0.18 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2vur h GLN 161 CO -0.18 0.78 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.38 2vur h LEU 162 N 0.04 0.20 -9.31 1.46 3.38 -0.13 -3.45 115.31 107.51 2vur h LEU 162 Ca -0.01 -0.07 -0.55 0.00 0.09 0.00 0.00 57.88 57.33 2vur h LEU 162 Cb 1.33 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 2vur h LEU 162 CO 0.10 0.52 0.63 -0.69 0.09 0.00 0.00 178.44 179.09 2vur s VAL 163 N -4.32 4.46 -0.26 1.22 1.01 -0.92 -4.41 120.40 117.19 2vur s VAL 163 Ca -0.04 1.76 -0.00 0.00 0.00 0.00 0.00 61.98 63.70 2vur s VAL 163 Cb 0.14 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.46 2vur s VAL 163 CO 0.75 0.01 0.03 -0.75 0.00 0.00 0.00 175.10 175.14 2vur s LYS 164 N 2.03 1.07 -1.34 2.72 2.36 0.11 -4.84 119.74 121.84 2vur s LYS 164 Ca 0.53 -0.94 -0.08 0.00 -2.55 0.00 0.00 55.97 52.93 2vur s LYS 164 Cb -0.22 -2.33 0.01 0.00 -1.05 0.00 0.00 37.83 34.24 2vur s LYS 164 CO 0.21 -0.76 1.15 0.39 1.55 0.00 0.00 175.35 177.89 2vur n GLU 165 N 4.79 -7.70 0.00 4.03 -0.58 -1.26 -0.98 120.64 118.93 2vur n GLU 165 Ca -0.07 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.50 2vur n GLU 165 Cb 0.44 -5.87 0.00 0.00 -0.57 0.00 0.00 31.44 25.44 2vur n GLU 165 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2vur n SER 166 N -3.03 0.00 -4.73 1.62 7.64 -1.26 -4.98 113.62 108.88 2vur n SER 166 Ca -0.04 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.43 2vur n SER 166 Cb 0.58 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 2vur n SER 166 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2vur s ASN 167 N -0.58 7.01 -0.00 6.43 0.01 -0.16 -0.87 114.94 126.78 2vur s ASN 167 Ca 0.00 2.22 0.04 0.00 -0.71 0.00 0.00 52.86 54.41 2vur s ASN 167 Cb 0.00 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 2vur s ASN 167 CO 0.00 -0.47 -0.12 -0.51 -1.51 0.00 0.00 177.10 174.49 2vur s ILE 168 N 0.43 0.93 0.68 0.60 2.07 -0.80 0.04 121.20 125.14 2vur s ILE 168 Ca 0.57 -0.55 -0.11 0.00 -1.41 0.00 0.00 60.65 59.15 2vur s ILE 168 Cb -0.33 -0.78 -0.00 0.00 0.13 0.00 0.00 42.46 41.47 2vur s ILE 168 CO 0.34 0.23 1.05 -2.16 -1.91 0.00 0.00 174.94 172.49 2vur s PRO 169 N -0.37 3.06 -0.24 3.50 0.04 -1.26 -1.95 135.00 137.78 2vur s PRO 169 Ca 0.04 0.94 -0.17 0.00 0.04 0.00 0.00 61.00 61.85 2vur s PRO 169 Cb -0.05 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 2vur s PRO 169 CO -0.00 -1.00 0.45 -1.21 0.04 0.00 0.00 177.00 175.27 2vur s GLU 170 N -5.01 4.09 0.06 4.56 2.02 -1.26 -4.80 118.70 118.36 2vur s GLU 170 Ca 0.58 0.22 -0.09 0.00 0.02 0.00 0.00 54.97 55.70 2vur s GLU 170 Cb -0.14 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.48 2vur s GLU 170 CO 0.54 -0.24 0.18 0.14 0.02 0.00 0.00 175.26 175.90 2vur s VAL 171 N 1.94 0.12 -0.19 2.63 -7.23 -0.91 -1.27 120.40 115.49 2vur s VAL 171 Ca 0.19 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.35 2vur s VAL 171 Cb -0.15 -1.06 0.03 0.00 0.56 0.00 0.00 36.38 35.75 2vur s VAL 171 CO 0.09 -0.56 -0.17 0.20 -0.31 0.00 0.00 175.10 174.34 2vur s ASN 172 N -2.35 3.30 -0.06 4.85 0.01 -0.41 -1.75 114.94 118.53 2vur s ASN 172 Ca -0.02 -0.76 0.05 0.00 -0.71 0.00 0.00 52.86 51.43 2vur s ASN 172 Cb 0.01 -1.44 -0.01 0.00 0.41 0.00 0.00 41.25 40.22 2vur s ASN 172 CO -0.06 -0.04 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.62 2vur s ILE 173 N 1.29 1.94 -0.05 0.60 1.01 0.45 -2.09 121.20 124.35 2vur s ILE 173 Ca 0.02 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.73 2vur s ILE 173 Cb -0.14 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 2vur s ILE 173 CO -0.11 0.54 -0.19 0.42 0.00 0.00 0.00 174.94 175.60 2vur s THR 174 N -0.05 1.58 -0.02 2.92 -4.23 -0.70 -1.22 115.64 113.93 2vur s THR 174 Ca -0.06 -0.81 -0.16 0.00 -1.18 0.00 0.00 61.69 59.49 2vur s THR 174 Cb -0.14 -1.35 0.03 0.00 1.34 0.00 0.00 72.50 72.37 2vur s THR 174 CO 0.04 0.45 0.33 -0.62 -0.54 0.00 0.00 174.62 174.28 2vur s ASP 175 N -0.03 -0.22 -0.14 3.99 2.15 -0.59 -0.89 116.67 120.94 2vur s ASP 175 Ca -0.03 0.13 -0.30 0.00 0.43 0.00 0.00 52.55 52.78 2vur s ASP 175 Cb -0.12 0.33 0.11 0.00 -0.30 0.00 0.00 42.92 42.94 2vur s ASP 175 CO 0.02 -0.45 0.92 -0.72 -0.17 0.00 0.00 175.17 174.77 2vur s TYR 176 N -1.30 -0.45 0.37 -5.34 -0.85 -1.26 -1.57 117.35 106.95 2vur s TYR 176 Ca -0.13 0.78 -0.25 0.00 -0.52 0.00 0.00 57.07 56.95 2vur s TYR 176 Cb -0.05 0.43 -0.09 0.00 0.38 0.00 0.00 41.96 42.63 2vur s TYR 176 CO 0.05 -0.40 1.03 -1.25 -1.52 0.00 0.00 175.55 173.46 2vur s PRO 177 N -1.05 4.32 0.02 -3.49 0.04 -1.26 -4.75 135.00 128.82 2vur s PRO 177 Ca -0.04 1.51 -0.26 0.00 0.04 0.00 0.00 61.00 62.25 2vur s PRO 177 Cb -0.01 -2.68 -0.17 0.00 0.04 0.00 0.00 34.50 31.69 2vur s PRO 177 CO 0.03 -0.00 1.33 1.15 0.04 0.00 0.00 177.00 179.55 2vur h THR 178 N 2.39 0.76 -3.18 1.26 2.02 -0.13 -3.44 112.91 112.60 2vur h THR 178 Ca -0.48 -0.53 -0.63 0.00 0.77 0.00 0.00 66.41 65.55 2vur h THR 178 Cb 1.21 1.05 -0.13 0.00 -1.74 0.00 0.00 68.15 68.53 2vur h THR 178 CO 0.63 0.11 -0.54 -0.69 0.37 0.00 0.00 175.52 175.40 2vur s VAL 179 N -4.92 4.99 0.24 3.16 1.01 -0.30 -5.03 120.40 119.55 2vur s VAL 179 Ca -0.15 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 2vur s VAL 179 Cb 0.03 -3.23 0.08 0.00 0.00 0.00 0.00 36.38 33.26 2vur s VAL 179 CO 0.58 0.50 1.71 -1.28 0.00 0.00 0.00 175.10 176.60 2vur h SER 180 N 6.23 0.75 -3.26 3.32 0.87 -1.86 -3.41 113.55 116.19 2vur h SER 180 Ca -0.42 -0.22 -0.65 0.00 -1.23 0.00 0.00 61.79 59.27 2vur h SER 180 Cb 1.18 -0.20 -0.34 0.00 -0.44 0.00 0.00 62.40 62.60 2vur h SER 180 CO 0.68 0.88 -0.86 0.00 -0.53 0.00 0.00 176.83 177.00 2vur s ALA 181 N -4.81 2.08 -0.04 6.23 0.00 -1.09 -4.99 121.76 119.13 2vur s ALA 181 Ca -0.09 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 2vur s ALA 181 Cb 0.14 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 22.39 2vur s ALA 181 CO 0.82 0.06 0.03 1.03 0.00 0.00 0.00 175.76 177.69 2vur s ARG 182 N 0.71 0.20 0.00 0.00 0.52 -1.26 -0.21 118.95 118.92 2vur s ARG 182 Ca -0.11 0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 2vur s ARG 182 Cb -0.16 -0.60 0.00 0.00 0.52 0.00 0.00 34.95 34.71 2vur s ARG 182 CO 0.01 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.49 2vur n GLY 183 N 4.86 -0.79 3.29 -3.53 0.00 -0.58 -0.72 105.19 107.71 2vur n GLY 183 Ca -0.12 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 2vur n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vur s ILE 184 N -3.98 1.96 -0.21 -0.61 1.09 -0.35 -1.80 121.20 117.30 2vur s ILE 184 Ca 0.00 -1.06 -0.06 0.00 -1.10 0.00 0.00 60.65 58.43 2vur s ILE 184 Cb 0.00 -1.62 -0.03 0.00 -1.06 0.00 0.00 42.46 39.75 2vur s ILE 184 CO 0.00 0.55 0.03 0.54 -0.10 0.00 0.00 174.94 175.96 2vur s VAL 185 N -0.59 4.22 -1.34 2.92 0.11 -0.47 0.04 120.40 125.30 2vur s VAL 185 Ca 0.10 -0.22 -0.12 0.00 -2.93 0.00 0.00 61.98 58.81 2vur s VAL 185 Cb -0.10 -2.93 0.12 0.00 -1.53 0.00 0.00 36.38 31.94 2vur s VAL 185 CO -0.01 0.40 1.95 1.21 -3.33 0.00 0.00 175.10 175.33 2vur n GLU 186 N 4.34 3.32 -0.14 1.54 2.13 -0.38 -4.21 120.64 127.25 2vur n GLU 186 Ca -0.17 -3.23 0.06 0.00 0.66 0.00 0.00 57.16 54.48 2vur n GLU 186 Cb 0.52 -3.09 0.12 0.00 0.27 0.00 0.00 31.44 29.26 2vur n GLU 186 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vur n GLY 187 N 3.48 3.79 3.81 8.31 0.00 -1.26 -3.84 105.19 119.48 2vur n GLY 187 Ca 0.44 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 2vur n GLY 187 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vur s PHE 188 N -1.98 3.56 0.89 1.61 -0.12 -1.26 -5.01 117.98 115.67 2vur s PHE 188 Ca 0.22 1.54 -0.14 0.00 -0.05 0.00 0.00 56.93 58.51 2vur s PHE 188 Cb 0.18 -2.76 0.13 0.00 -0.63 0.00 0.00 43.02 39.95 2vur s PHE 188 CO 0.05 0.18 1.22 0.71 -0.05 0.00 0.00 175.22 177.33 2vur s TYR 189 N -1.74 2.36 0.00 3.49 1.51 -1.26 -4.68 117.35 117.03 2vur s TYR 189 Ca 0.51 0.60 0.00 0.00 -1.01 0.00 0.00 57.07 57.17 2vur s TYR 189 Cb -0.15 -3.70 0.00 0.00 -0.11 0.00 0.00 41.96 38.00 2vur s TYR 189 CO 0.20 -2.21 0.00 0.41 -1.11 0.00 0.00 175.55 172.84 2vur n GLY 190 N -3.28 -2.66 3.70 0.71 0.00 -1.26 -4.74 105.19 97.66 2vur n GLY 190 Ca 0.10 -2.04 -0.57 0.00 0.00 0.00 0.00 46.02 43.52 2vur n GLY 190 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2vur n THR 191 N -0.02 0.28 -1.52 2.61 -1.04 -1.26 -4.90 114.28 108.42 2vur n THR 191 Ca 0.00 -0.05 -0.31 0.00 -2.04 0.00 0.00 64.05 61.65 2vur n THR 191 Cb 0.00 -1.20 0.06 0.00 -1.82 0.00 0.00 70.33 67.37 2vur n THR 191 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2vur s PRO 192 N 3.18 2.69 0.51 -2.82 0.04 -1.26 -4.73 135.00 132.61 2vur s PRO 192 Ca 0.96 1.12 -0.22 0.00 0.04 0.00 0.00 61.00 62.91 2vur s PRO 192 Cb -1.04 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 31.49 2vur s PRO 192 CO 0.63 -1.30 1.26 -1.58 0.04 0.00 0.00 177.00 176.05 2vur s TRP 193 N -2.84 2.55 0.79 0.56 0.51 -1.26 -5.03 118.94 114.22 2vur s TRP 193 Ca 0.61 1.45 -0.12 0.00 -2.12 0.00 0.00 56.10 55.93 2vur s TRP 193 Cb -0.16 -3.59 0.06 0.00 -0.81 0.00 0.00 33.47 28.97 2vur s TRP 193 CO 0.52 -2.24 1.12 0.95 -0.51 0.00 0.00 176.95 176.79 2vur s THR 194 N -1.43 2.77 0.21 2.01 -4.23 -1.26 -4.88 115.64 108.83 2vur s THR 194 Ca 0.68 0.25 -0.09 0.00 -1.18 0.00 0.00 61.69 61.35 2vur s THR 194 Cb -0.35 -3.15 0.15 0.00 1.34 0.00 0.00 72.50 70.49 2vur s THR 194 CO 0.41 -0.33 1.75 -0.74 -0.54 0.00 0.00 174.62 175.17 2vur h HIS 195 N -0.99 0.41 -0.48 3.99 2.76 -2.00 -1.68 115.15 117.16 2vur h HIS 195 Ca -0.47 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 57.70 2vur h HIS 195 Cb 1.29 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 30.14 2vur h HIS 195 CO 0.41 0.11 0.15 1.96 -1.30 0.00 0.00 177.93 179.26 2vur h GLN 196 N 0.42 0.70 -0.23 5.26 1.08 -1.99 -1.73 115.11 118.61 2vur h GLN 196 Ca 0.31 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2vur h GLN 196 Cb 0.38 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2vur h GLN 196 CO -0.30 0.61 0.14 -0.44 -0.95 0.00 0.00 178.83 177.89 2vur h ASP 197 N 0.69 0.28 -0.80 1.46 3.32 -1.73 -0.69 116.42 118.95 2vur h ASP 197 Ca 0.16 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2vur h ASP 197 Cb 0.20 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 2vur h ASP 197 CO -0.01 0.26 0.45 0.03 -1.72 0.00 0.00 179.24 178.25 2vur h ARG 198 N 0.28 1.11 -0.48 3.56 3.08 -1.07 0.24 114.38 121.11 2vur h ARG 198 Ca 0.08 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 2vur h ARG 198 Cb 0.03 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2vur h ARG 198 CO -0.01 0.81 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.50 2vur h LEU 199 N 1.11 0.91 -0.44 3.04 3.38 -1.20 -0.42 115.31 121.69 2vur h LEU 199 Ca 0.28 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2vur h LEU 199 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2vur h LEU 199 CO -0.05 1.04 -0.11 -0.78 0.09 0.00 0.00 178.44 178.63 2vur h ASP 200 N 0.81 0.86 -0.38 -0.43 3.58 -0.61 -2.60 116.42 117.65 2vur h ASP 200 Ca 0.13 -0.36 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 2vur h ASP 200 Cb 0.66 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 2vur h ASP 200 CO 0.05 1.03 0.21 1.56 -2.88 0.00 0.00 179.24 179.20 2vur h GLN 201 N 0.69 0.54 -0.59 0.28 1.08 -0.37 -1.66 115.11 115.07 2vur h GLN 201 Ca 0.11 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.29 2vur h GLN 201 Cb 0.65 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.93 2vur h GLN 201 CO 0.04 0.44 0.33 0.82 -0.95 0.00 0.00 178.83 179.52 2vur h ILE 202 N 0.49 1.00 -0.21 2.54 2.04 -0.97 -0.22 117.51 122.18 2vur h ILE 202 Ca 0.13 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.80 2vur h ILE 202 Cb 0.06 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 2vur h ILE 202 CO -0.02 0.12 0.06 0.11 0.00 0.00 0.00 178.15 178.42 2vur h LYS 203 N 0.64 0.15 -0.79 2.37 6.56 -1.31 -2.50 116.57 121.70 2vur h LYS 203 Ca 0.25 -0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.86 2vur h LYS 203 Cb 0.11 -0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.69 2vur h LYS 203 CO -0.14 0.10 0.52 0.35 -2.06 0.00 0.00 179.45 178.22 2vur h PHE 204 N 0.16 0.95 0.13 -1.35 3.57 -0.55 -1.67 116.94 118.19 2vur h PHE 204 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2vur h PHE 204 Cb 0.06 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.49 2vur h PHE 204 CO -0.12 0.57 -0.06 1.88 -2.23 0.00 0.00 178.31 178.34 2vur h TYR 205 N 1.00 -0.16 -0.64 0.41 0.05 -0.88 -2.48 116.97 114.26 2vur h TYR 205 Ca 0.30 -0.00 0.13 0.00 0.05 0.00 0.00 58.73 59.21 2vur h TYR 205 Cb -0.01 0.05 -0.10 0.00 1.01 0.00 0.00 36.73 37.69 2vur h TYR 205 CO -0.00 0.05 0.12 0.78 -1.05 0.00 0.00 178.16 178.07 2vur h GLY 206 N -0.36 0.82 2.00 3.88 0.00 -1.18 0.20 103.07 108.43 2vur h GLY 206 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 2vur h GLY 206 CO 0.03 -0.15 -0.14 0.83 0.00 0.00 0.00 176.54 177.11 2vur h GLU 207 N 0.24 0.00 -0.33 4.80 5.08 -1.15 -2.46 114.58 120.77 2vur h GLU 207 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2vur h GLU 207 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2vur h GLU 207 CO -0.45 0.14 0.00 0.09 -1.00 0.00 0.00 179.01 177.79 2vur n ASN 208 N -3.64 3.22 -0.93 1.42 3.02 -0.58 -4.87 115.26 112.90 2vur n ASN 208 Ca -0.02 -2.29 -0.08 0.00 -0.03 0.00 0.00 54.58 52.16 2vur n ASN 208 Cb 0.27 -0.32 -0.01 0.00 -0.61 0.00 0.00 39.78 39.11 2vur n ASN 208 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2vur n LYS 209 N 0.24 -0.66 -3.58 3.52 5.02 0.13 -4.27 118.16 118.56 2vur n LYS 209 Ca 0.14 0.42 -0.37 0.00 -2.02 0.00 0.00 58.31 56.49 2vur n LYS 209 Cb 0.56 -4.38 -0.08 0.00 -0.02 0.00 0.00 35.03 31.11 2vur n LYS 209 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vur s LEU 210 N -2.36 4.15 -0.07 -0.35 1.43 0.47 -4.92 118.68 117.02 2vur s LEU 210 Ca 0.00 0.28 0.12 0.00 -1.03 0.00 0.00 54.13 53.51 2vur s LEU 210 Cb 0.00 -2.25 0.36 0.00 0.03 0.00 0.00 46.19 44.33 2vur s LEU 210 CO 0.00 0.04 1.29 -0.46 0.23 0.00 0.00 176.35 177.45 2vur n ASN 211 N 4.17 3.16 -3.76 2.29 6.94 0.10 -3.94 115.26 124.23 2vur n ASN 211 Ca -0.13 -2.45 -0.16 0.00 -0.02 0.00 0.00 54.58 51.82 2vur n ASN 211 Cb 0.52 -0.34 -0.16 0.00 -2.36 0.00 0.00 39.78 37.43 2vur n ASN 211 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2vur s THR 212 N -1.80 -0.02 -0.19 5.53 2.01 -0.81 0.70 115.64 121.05 2vur s THR 212 Ca 0.29 0.23 -0.03 0.00 0.31 0.00 0.00 61.69 62.48 2vur s THR 212 Cb 0.20 -0.13 0.06 0.00 0.01 0.00 0.00 72.50 72.64 2vur s THR 212 CO 0.11 0.12 0.05 -0.47 -0.69 0.00 0.00 174.62 173.73 2vur s TYR 213 N 1.25 0.87 -0.52 4.92 5.04 0.11 -1.21 117.35 127.81 2vur s TYR 213 Ca -0.07 -0.77 -0.22 0.00 -2.44 0.00 0.00 57.07 53.58 2vur s TYR 213 Cb -0.13 -0.97 0.05 0.00 0.35 0.00 0.00 41.96 41.25 2vur s TYR 213 CO -0.03 -0.60 0.79 0.42 -1.34 0.00 0.00 175.55 174.79 2vur s ILE 214 N 1.91 4.62 -0.61 3.14 1.01 0.11 -0.57 121.20 130.81 2vur s ILE 214 Ca -0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 60.65 60.40 2vur s ILE 214 Cb -0.17 -4.41 0.05 0.00 0.01 0.00 0.00 42.46 37.95 2vur s ILE 214 CO -0.09 -0.93 0.97 -0.47 0.00 0.00 0.00 174.94 174.43 2vur s TYR 215 N 3.31 2.70 -0.45 3.97 5.04 0.63 -1.24 117.35 131.31 2vur s TYR 215 Ca 0.24 -0.27 0.07 0.00 -2.44 0.00 0.00 57.07 54.67 2vur s TYR 215 Cb -0.15 -4.21 0.29 0.00 0.35 0.00 0.00 41.96 38.24 2vur s TYR 215 CO 0.17 -1.54 0.94 0.00 -1.34 0.00 0.00 175.55 173.77 2vur n ALA 216 N 7.71 -0.26 -1.98 3.97 0.00 -1.26 -0.60 120.51 128.09 2vur n ALA 216 Ca -0.01 -1.91 -0.32 0.00 0.00 0.00 0.00 53.44 51.20 2vur n ALA 216 Cb 0.47 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 2vur n ALA 216 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2vur s PRO 217 N -0.14 3.97 0.58 0.00 0.04 -1.25 -4.57 135.00 133.64 2vur s PRO 217 Ca 0.29 0.81 0.34 0.00 0.04 0.00 0.00 61.00 62.48 2vur s PRO 217 Cb 0.27 -2.26 1.76 0.00 0.04 0.00 0.00 34.50 34.31 2vur s PRO 217 CO -0.12 -0.08 2.16 0.87 0.04 0.00 0.00 177.00 179.87 2vur h LYS 218 N 1.46 0.00 -0.01 4.56 1.79 -1.83 -3.04 116.57 119.49 2vur h LYS 218 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2vur h LYS 218 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2vur h LYS 218 CO 0.63 0.05 -0.15 -0.40 -1.08 0.00 0.00 179.45 178.50 2vur n ASP 219 N -3.40 1.13 -4.28 0.86 5.75 -1.26 -4.73 116.55 110.63 2vur n ASP 219 Ca -0.02 -1.08 -0.41 0.00 -0.01 0.00 0.00 54.79 53.27 2vur n ASP 219 Cb 0.19 0.07 -0.09 0.00 -1.03 0.00 0.00 41.12 40.25 2vur n ASP 219 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2vur s ASP 220 N -2.31 5.74 0.57 -1.12 -1.08 -1.15 -4.95 116.67 112.37 2vur s ASP 220 Ca 0.30 -1.53 0.27 0.00 -0.52 0.00 0.00 52.55 51.07 2vur s ASP 220 Cb 0.20 -2.03 1.69 0.00 -1.46 0.00 0.00 42.92 41.32 2vur s ASP 220 CO 0.45 -0.58 2.22 1.55 0.52 0.00 0.00 175.17 179.32 2vur h PRO 221 N 8.48 0.00 0.00 4.34 0.13 -1.88 -2.19 132.00 140.88 2vur h PRO 221 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2vur h PRO 221 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2vur h PRO 221 CO 0.80 0.02 0.00 0.66 -0.23 0.00 0.00 178.00 179.25 2vur n TYR 222 N -3.94 0.00 0.67 1.56 4.02 -1.26 0.16 117.16 118.38 2vur n TYR 222 Ca -0.03 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.97 2vur n TYR 222 Cb 0.10 -0.49 -0.08 0.00 -0.02 0.00 0.00 39.34 38.85 2vur n TYR 222 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 2vur n HIS 223 N -1.49 0.06 0.00 -0.72 1.44 -0.82 -4.14 115.22 109.54 2vur n HIS 223 Ca 0.04 0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 2vur n HIS 223 Cb 0.16 -0.22 0.00 0.00 0.12 0.00 0.00 29.99 30.05 2vur n HIS 223 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2vur n ARG 224 N -1.77 0.00 0.26 -1.40 0.63 -0.67 -1.01 116.66 112.70 2vur n ARG 224 Ca 0.02 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.03 2vur n ARG 224 Cb 0.41 0.00 0.65 0.00 0.45 0.00 0.00 32.46 33.97 2vur n ARG 224 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 2vur h GLU 225 N 0.00 0.00 -0.46 -0.14 9.09 -1.67 -1.94 114.58 119.47 2vur h GLU 225 Ca 0.00 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.08 2vur h GLU 225 Cb 0.00 0.00 -0.26 0.00 -1.65 0.00 0.00 28.75 26.84 2vur h GLU 225 CO 0.00 0.03 -0.69 1.63 0.05 0.00 0.00 179.01 180.03 2vur n LYS 226 N -4.39 2.82 0.04 1.06 5.02 0.12 -4.88 118.16 117.95 2vur n LYS 226 Ca -0.03 -3.83 0.18 0.00 -2.02 0.00 0.00 58.31 52.61 2vur n LYS 226 Cb 0.12 -2.02 0.68 0.00 -0.02 0.00 0.00 35.03 33.79 2vur n LYS 226 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 2vur h TRP 227 N 1.71 0.00 0.00 2.13 5.08 -1.44 0.02 115.95 123.45 2vur h TRP 227 Ca 0.22 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.16 2vur h TRP 227 Cb 1.33 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.48 2vur h TRP 227 CO 0.82 0.00 -0.15 0.00 -1.28 0.00 0.00 178.44 177.82 2vur h ARG 228 N 0.00 0.00 -5.35 0.12 3.08 -1.87 -3.45 114.38 106.91 2vur h ARG 228 Ca 0.22 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.64 2vur h ARG 228 Cb 0.86 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.78 2vur h ARG 228 CO -0.00 0.15 0.01 -1.21 -1.07 0.00 0.00 179.97 177.85 2vur s GLU 229 N -3.79 3.91 0.70 0.04 2.02 -0.01 -4.52 118.70 117.05 2vur s GLU 229 Ca -0.00 0.18 -0.17 0.00 0.02 0.00 0.00 54.97 55.01 2vur s GLU 229 Cb 0.11 -3.71 -0.05 0.00 0.10 0.00 0.00 34.13 30.58 2vur s GLU 229 CO 0.60 -0.47 0.52 -0.35 0.02 0.00 0.00 175.26 175.57 2vur n PRO 230 N 5.67 0.33 -1.79 0.39 -0.04 -1.26 -4.90 135.00 133.40 2vur n PRO 230 Ca -0.04 0.15 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 2vur n PRO 230 Cb 0.49 -1.80 -0.02 0.00 -0.04 0.00 0.00 33.50 32.13 2vur n PRO 230 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2vur s TYR 231 N -1.88 2.88 0.86 0.54 2.02 -1.26 -5.00 117.35 115.52 2vur s TYR 231 Ca 0.66 0.57 -0.11 0.00 -0.37 0.00 0.00 57.07 57.82 2vur s TYR 231 Cb -0.36 -4.07 0.11 0.00 -0.40 0.00 0.00 41.96 37.24 2vur s TYR 231 CO 0.58 -3.84 1.09 -1.25 -1.57 0.00 0.00 175.55 170.55 2vur s PRO 232 N 0.52 1.52 0.56 -1.71 0.04 -1.26 -4.91 135.00 129.76 2vur s PRO 232 Ca 0.69 0.82 0.27 0.00 0.04 0.00 0.00 61.00 62.82 2vur s PRO 232 Cb -0.48 -1.84 1.64 0.00 0.04 0.00 0.00 34.50 33.86 2vur s PRO 232 CO 0.38 -2.06 2.18 0.93 0.04 0.00 0.00 177.00 178.47 2vur h GLU 233 N -1.41 0.00 0.00 4.56 4.39 -2.01 -1.74 114.58 118.36 2vur h GLU 233 Ca -0.48 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.17 2vur h GLU 233 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 2vur h GLU 233 CO 0.55 0.05 -0.20 0.77 -1.16 0.00 0.00 179.01 179.01 2vur h SER 234 N 0.00 0.00 -0.03 1.42 0.02 -2.03 -3.02 113.55 109.91 2vur h SER 234 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2vur h SER 234 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2vur h SER 234 CO 0.01 0.20 0.00 -0.62 -1.14 0.00 0.00 176.83 175.28 2vur n GLU 235 N -4.06 1.79 0.00 3.45 -0.58 -0.66 -4.63 120.64 115.95 2vur n GLU 235 Ca -0.02 -1.70 -0.12 0.00 -0.42 0.00 0.00 57.16 54.89 2vur n GLU 235 Cb 0.28 -1.39 -0.08 0.00 -0.57 0.00 0.00 31.44 29.68 2vur n GLU 235 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2vur h MET 236 N 3.93 0.04 -0.45 3.49 2.86 -1.43 -2.38 114.93 120.99 2vur h MET 236 Ca 0.00 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2vur h MET 236 Cb 0.84 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 2vur h MET 236 CO 0.00 0.27 0.12 0.37 1.06 0.00 0.00 176.91 178.72 2vur h GLN 237 N -0.20 0.72 0.37 1.72 4.15 -1.82 0.15 115.11 120.20 2vur h GLN 237 Ca 0.01 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 2vur h GLN 237 Cb 0.25 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2vur h GLN 237 CO 0.00 0.71 -0.31 -0.09 -1.93 0.00 0.00 178.83 177.21 2vur h ARG 238 N 0.60 -0.66 -0.64 1.69 2.43 -1.85 -0.40 114.38 115.55 2vur h ARG 238 Ca 0.14 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 2vur h ARG 238 Cb 0.31 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 2vur h ARG 238 CO 0.00 -0.44 0.37 0.52 -1.51 0.00 0.00 179.97 178.91 2vur h MET 239 N -0.68 0.69 -0.44 0.20 2.86 -1.38 -2.51 114.93 113.66 2vur h MET 239 Ca -0.03 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2vur h MET 239 Cb 0.60 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2vur h MET 239 CO -0.02 0.46 0.15 0.37 1.06 0.00 0.00 176.91 178.92 2vur h GLN 240 N 0.71 0.64 -0.73 1.72 5.75 -0.41 -0.94 115.11 121.84 2vur h GLN 240 Ca 0.27 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.64 2vur h GLN 240 Cb 0.10 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 2vur h GLN 240 CO -0.14 0.55 0.30 0.93 -2.65 0.00 0.00 178.83 177.82 2vur h GLU 241 N 0.63 1.08 -0.08 1.69 5.08 -0.64 0.38 114.58 122.72 2vur h GLU 241 Ca 0.15 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2vur h GLU 241 Cb 0.18 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2vur h GLU 241 CO -0.01 0.87 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.67 2vur h LEU 242 N 1.06 0.26 0.10 1.33 3.38 -1.09 -1.82 115.31 118.53 2vur h LEU 242 Ca 0.25 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.69 2vur h LEU 242 Cb 0.19 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2vur h LEU 242 CO -0.02 0.75 -0.12 0.40 0.09 0.00 0.00 178.44 179.53 2vur h ILE 243 N -0.22 0.72 0.17 1.22 2.04 -1.16 -1.79 117.51 118.50 2vur h ILE 243 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2vur h ILE 243 Cb 0.69 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2vur h ILE 243 CO 0.03 0.00 -0.19 0.78 0.00 0.00 0.00 178.15 178.77 2vur h ASN 244 N -0.26 -0.50 -0.94 1.72 4.21 -0.97 -1.78 115.58 117.05 2vur h ASN 244 Ca 0.01 0.05 0.14 0.00 1.21 0.00 0.00 56.30 57.71 2vur h ASN 244 Cb 0.26 0.18 -0.09 0.00 -1.12 0.00 0.00 38.32 37.55 2vur h ASN 244 CO -0.05 -0.28 0.56 0.00 -1.29 0.00 0.00 177.43 176.37 2vur h ALA 245 N 0.38 1.44 0.38 -0.83 0.00 -1.30 0.09 119.26 119.41 2vur h ALA 245 Ca 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2vur h ALA 245 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2vur h ALA 245 CO -0.06 0.08 -0.19 0.77 0.00 0.00 0.00 179.25 179.85 2vur h SER 246 N 0.83 -0.45 -0.28 0.00 0.02 -0.94 -2.09 113.55 110.64 2vur h SER 246 Ca 0.49 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.52 2vur h SER 246 Cb 0.59 0.12 -0.06 0.00 0.14 0.00 0.00 62.40 63.19 2vur h SER 246 CO -0.31 -0.32 -0.09 0.00 -1.14 0.00 0.00 176.83 174.97 2vur h ALA 247 N 0.10 0.16 -0.09 3.77 0.00 -0.72 0.16 119.26 122.64 2vur h ALA 247 Ca -0.05 0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2vur h ALA 247 Cb 0.41 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2vur h ALA 247 CO 0.08 -0.48 0.13 0.93 0.00 0.00 0.00 179.25 179.90 2vur h GLU 248 N -0.03 0.00 -0.41 0.00 5.08 -0.92 -1.88 114.58 116.43 2vur h GLU 248 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2vur h GLU 248 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2vur h GLU 248 CO -0.31 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.79 2vur n ASN 249 N -3.60 3.80 -2.65 1.42 3.02 -0.74 -4.85 115.26 111.66 2vur n ASN 249 Ca -0.01 -2.47 -0.22 0.00 -0.03 0.00 0.00 54.58 51.86 2vur n ASN 249 Cb 0.22 -0.44 0.01 0.00 -0.61 0.00 0.00 39.78 38.96 2vur n ASN 249 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2vur n LYS 250 N 0.36 -2.99 -3.99 3.52 4.76 -0.71 -4.40 118.16 114.72 2vur n LYS 250 Ca 0.19 0.98 -0.35 0.00 -2.87 0.00 0.00 58.31 56.26 2vur n LYS 250 Cb 0.72 -5.73 -0.13 0.00 -1.84 0.00 0.00 35.03 28.05 2vur n LYS 250 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2vur s VAL 251 N -3.11 3.69 -0.30 -0.18 1.01 0.49 -4.54 120.40 117.47 2vur s VAL 251 Ca 0.12 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 2vur s VAL 251 Cb -0.05 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2vur s VAL 251 CO 0.15 0.42 1.61 -1.81 0.00 0.00 0.00 175.10 175.47 2vur s ASP 252 N 1.26 6.23 -0.66 3.32 1.01 0.22 -3.86 116.67 124.19 2vur s ASP 252 Ca 0.03 1.32 -0.27 0.00 0.71 0.00 0.00 52.55 54.34 2vur s ASP 252 Cb -0.14 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.27 2vur s ASP 252 CO 0.00 -1.43 1.43 0.12 0.21 0.00 0.00 175.17 175.49 2vur s PHE 253 N 5.74 2.18 -0.30 4.23 5.36 -1.26 -0.71 117.98 133.22 2vur s PHE 253 Ca 0.71 0.28 -0.15 0.00 -0.96 0.00 0.00 56.93 56.81 2vur s PHE 253 Cb -0.21 -4.45 -0.03 0.00 -0.34 0.00 0.00 43.02 37.99 2vur s PHE 253 CO 0.31 -2.07 0.36 0.08 -1.46 0.00 0.00 175.22 172.44 2vur s VAL 254 N 6.44 5.17 -0.31 3.12 1.01 0.26 -3.72 120.40 132.38 2vur s VAL 254 Ca 0.46 0.35 -0.24 0.00 0.00 0.00 0.00 61.98 62.55 2vur s VAL 254 Cb -0.10 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2vur s VAL 254 CO 0.19 0.06 0.80 0.12 0.00 0.00 0.00 175.10 176.27 2vur s PHE 255 N 2.05 3.20 -0.26 5.22 5.36 0.07 -0.27 117.98 133.34 2vur s PHE 255 Ca 0.13 0.82 -0.14 0.00 -0.96 0.00 0.00 56.93 56.79 2vur s PHE 255 Cb -0.16 -3.24 -0.04 0.00 -0.34 0.00 0.00 43.02 39.24 2vur s PHE 255 CO 0.11 -0.57 0.33 0.20 -1.46 0.00 0.00 175.22 173.83 2vur s GLY 256 N 1.62 1.91 -0.10 13.12 0.00 0.23 -0.67 107.32 123.43 2vur s GLY 256 Ca 0.33 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 44.19 2vur s GLY 256 CO 0.13 0.88 -0.05 -1.50 0.00 0.00 0.00 173.10 172.55 2vur s ILE 257 N 1.91 3.83 -0.57 0.90 2.07 0.40 -4.65 121.20 125.08 2vur s ILE 257 Ca 0.13 -0.41 0.04 0.00 -1.41 0.00 0.00 60.65 59.00 2vur s ILE 257 Cb -0.16 -2.61 0.15 0.00 0.13 0.00 0.00 42.46 39.98 2vur s ILE 257 CO 0.10 0.56 0.36 -0.44 -1.91 0.00 0.00 174.94 173.61 2vur s SER 258 N -0.41 4.10 0.00 4.50 0.01 -0.18 -1.01 113.70 120.71 2vur s SER 258 Ca 0.06 -3.28 0.31 0.00 1.31 0.00 0.00 55.95 54.35 2vur s SER 258 Cb -0.12 -1.39 1.68 0.00 0.21 0.00 0.00 66.02 66.39 2vur s SER 258 CO 0.02 -0.17 2.12 -0.81 0.41 0.00 0.00 173.24 174.81 2vur n PRO 259 N 2.71 0.70 0.27 12.44 -0.04 -1.26 -4.19 135.00 145.62 2vur n PRO 259 Ca 0.14 -0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 2vur n PRO 259 Cb 0.35 -1.50 0.75 0.00 -0.04 0.00 0.00 33.50 33.07 2vur n PRO 259 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2vur h GLY 260 N 5.00 0.00 -0.61 0.55 0.00 -1.90 -1.30 103.07 104.81 2vur h GLY 260 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.58 2vur h GLY 260 CO 0.00 0.00 0.18 1.19 0.00 0.00 0.00 176.54 177.91 2vur h ILE 261 N 0.00 0.22 0.00 2.60 2.10 -1.79 -3.38 117.51 117.26 2vur h ILE 261 Ca -0.00 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.89 2vur h ILE 261 Cb 0.10 0.08 0.00 0.00 -1.09 0.00 0.00 36.82 35.91 2vur h ILE 261 CO 0.01 0.02 0.00 -0.90 -1.08 0.00 0.00 178.15 176.20 2vur n ASP 262 N -5.31 0.00 -4.74 2.19 5.68 -1.01 -5.00 116.55 108.36 2vur n ASP 262 Ca 0.22 -1.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.09 2vur n ASP 262 Cb 0.72 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.69 2vur n ASP 262 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2vur n ILE 263 N 0.00 1.49 -3.86 2.12 3.06 -0.52 -5.03 119.36 116.62 2vur n ILE 263 Ca 0.00 -0.37 -0.27 0.00 -2.50 0.00 0.00 62.75 59.61 2vur n ILE 263 Cb 0.41 -1.84 -0.03 0.00 0.54 0.00 0.00 39.64 38.72 2vur n ILE 263 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 2vur s ARG 264 N -1.23 3.47 0.00 9.51 3.00 -1.26 -5.01 118.95 127.42 2vur s ARG 264 Ca 0.60 -0.49 0.00 0.00 0.00 0.00 0.00 55.73 55.83 2vur s ARG 264 Cb -0.52 -2.93 0.00 0.00 0.00 0.00 0.00 34.95 31.50 2vur s ARG 264 CO 0.56 0.49 0.00 1.19 0.00 0.00 0.00 175.30 177.53 2vur n PHE 265 N -0.52 0.00 -4.02 -0.53 3.72 -1.26 -4.39 117.46 110.46 2vur n PHE 265 Ca -0.06 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.05 2vur n PHE 265 Cb 0.54 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.02 2vur n PHE 265 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2vur s ASP 266 N -3.27 5.78 0.92 4.37 -0.00 -1.26 -4.48 116.67 118.73 2vur s ASP 266 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 52.55 52.60 2vur s ASP 266 Cb 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 42.92 41.30 2vur s ASP 266 CO 0.00 0.14 0.00 0.61 -0.00 0.00 0.00 175.17 175.92 2vur n GLY 267 N 0.18 0.81 0.31 0.21 0.00 -1.26 -1.58 105.19 103.86 2vur n GLY 267 Ca -0.08 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 2vur n GLY 267 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vur h ASP 268 N 3.39 0.88 -0.48 1.61 3.45 -1.99 -1.42 116.42 121.86 2vur h ASP 268 Ca 0.00 -0.16 -0.02 0.00 0.43 0.00 0.00 57.03 57.28 2vur h ASP 268 Cb 0.00 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.51 2vur h ASP 268 CO 0.00 0.85 0.24 0.00 -1.57 0.00 0.00 179.24 178.76 2vur h ALA 269 N 1.26 1.46 -0.05 3.45 0.00 -1.97 0.78 119.26 124.20 2vur h ALA 269 Ca 0.19 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 2vur h ALA 269 Cb 0.31 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2vur h ALA 269 CO -0.00 0.43 -0.84 0.78 0.00 0.00 0.00 179.25 179.62 2vur h GLY 270 N 0.83 0.48 0.79 0.00 0.00 -0.88 -2.39 103.07 101.90 2vur h GLY 270 Ca 0.18 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 2vur h GLY 270 CO -0.02 0.67 -0.12 -2.09 0.00 0.00 0.00 176.54 174.98 2vur h GLU 271 N 0.27 0.41 -0.71 4.80 4.57 -0.86 -1.88 114.58 121.18 2vur h GLU 271 Ca -0.06 -0.19 0.09 0.00 -1.18 0.00 0.00 59.36 58.02 2vur h GLU 271 Cb 1.44 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.96 2vur h GLU 271 CO 0.15 0.72 0.36 1.49 -1.18 0.00 0.00 179.01 180.55 2vur h GLU 272 N 0.09 0.60 -0.55 1.92 4.81 -0.92 -1.88 114.58 118.64 2vur h GLU 272 Ca 0.04 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 2vur h GLU 272 Cb 0.62 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2vur h GLU 272 CO 0.03 0.40 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.24 2vur h ASP 273 N 0.62 0.98 -0.54 1.04 5.19 -1.28 0.12 116.42 122.54 2vur h ASP 273 Ca 0.34 -0.32 -0.06 0.00 -0.62 0.00 0.00 57.03 56.38 2vur h ASP 273 Cb 0.34 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.56 2vur h ASP 273 CO -0.25 1.06 0.13 0.15 -3.12 0.00 0.00 179.24 177.20 2vur h PHE 274 N 0.87 0.95 -0.56 4.55 3.57 -1.13 -2.16 116.94 123.04 2vur h PHE 274 Ca 0.15 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 2vur h PHE 274 Cb 0.57 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2vur h PHE 274 CO 0.04 0.80 -0.02 -0.91 -2.23 0.00 0.00 178.31 175.99 2vur h ASN 275 N 0.88 0.95 -0.99 0.41 2.35 -1.01 -2.15 115.58 116.01 2vur h ASN 275 Ca 0.19 -0.26 0.05 0.00 -0.55 0.00 0.00 56.30 55.72 2vur h ASN 275 Cb 0.33 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.39 2vur h ASN 275 CO 0.00 1.01 0.64 0.45 -1.65 0.00 0.00 177.43 177.89 2vur h HIS 276 N 0.89 1.19 -0.57 1.19 3.86 -0.66 -1.32 115.15 119.73 2vur h HIS 276 Ca 0.16 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.37 2vur h HIS 276 Cb 0.54 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 2vur h HIS 276 CO 0.03 0.65 0.22 1.25 0.86 0.00 0.00 177.93 180.95 2vur h LEU 277 N 1.19 0.78 -0.05 2.43 6.46 -0.96 -1.31 115.31 123.86 2vur h LEU 277 Ca 0.41 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 2vur h LEU 277 Cb 0.09 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 39.82 2vur h LEU 277 CO -0.15 0.74 0.02 0.40 -0.62 0.00 0.00 178.44 178.84 2vur h ILE 278 N 0.78 1.13 0.00 4.05 1.08 -0.97 -2.07 117.51 121.50 2vur h ILE 278 Ca 0.19 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2vur h ILE 278 Cb 0.20 1.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 2vur h ILE 278 CO -0.02 0.11 0.00 0.71 -0.69 0.00 0.00 178.15 178.27 2vur h THR 279 N -0.07 0.00 -0.03 -0.27 1.35 -1.14 -0.74 112.91 112.00 2vur h THR 279 Ca 0.02 -0.55 -0.10 0.00 -0.55 0.00 0.00 66.41 65.23 2vur h THR 279 Cb 0.16 1.51 0.01 0.00 -1.73 0.00 0.00 68.15 68.09 2vur h THR 279 CO -0.00 0.00 -0.36 0.50 -0.25 0.00 0.00 175.52 175.41 2vur h LYS 280 N 0.00 0.30 -0.46 4.72 1.63 -1.16 -2.62 116.57 118.98 2vur h LYS 280 Ca 0.00 -0.28 -0.06 0.00 -0.85 0.00 0.00 60.65 59.45 2vur h LYS 280 Cb 0.59 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 2vur h LYS 280 CO 0.00 0.96 0.02 0.00 -3.45 0.00 0.00 179.45 176.98 2vur h ALA 281 N 0.35 1.18 -0.49 5.00 0.00 -0.95 -1.30 119.26 123.05 2vur h ALA 281 Ca -0.04 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2vur h ALA 281 Cb 1.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2vur h ALA 281 CO 0.07 0.54 -0.10 1.49 0.00 0.00 0.00 179.25 181.25 2vur h GLU 282 N 0.70 0.94 -0.45 0.00 4.57 -1.25 0.25 114.58 119.34 2vur h GLU 282 Ca 0.14 -0.35 0.09 0.00 -1.18 0.00 0.00 59.36 58.06 2vur h GLU 282 Cb 0.40 -0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.84 2vur h GLU 282 CO 0.01 1.01 -0.14 0.77 -1.18 0.00 0.00 179.01 179.49 2vur h SER 283 N 0.79 -0.49 0.07 1.04 0.02 -1.04 0.12 113.55 114.07 2vur h SER 283 Ca 0.13 0.14 -0.13 0.00 -0.84 0.00 0.00 61.79 61.09 2vur h SER 283 Cb 0.65 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 2vur h SER 283 CO 0.04 -0.17 -0.43 -0.07 -1.14 0.00 0.00 176.83 175.07 2vur h LEU 284 N -0.03 0.47 0.67 5.07 3.38 -1.06 -2.67 115.31 121.13 2vur h LEU 284 Ca 0.22 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2vur h LEU 284 Cb 0.36 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2vur h LEU 284 CO -0.48 0.84 -0.35 0.22 0.09 0.00 0.00 178.44 178.76 2vur h TYR 285 N 0.36 -0.91 -0.29 1.13 3.20 0.23 -0.51 116.97 120.18 2vur h TYR 285 Ca 0.03 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.97 2vur h TYR 285 Cb 0.90 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 2vur h TYR 285 CO 0.03 -0.55 0.54 -0.44 -1.64 0.00 0.00 178.16 176.10 2vur h ASP 286 N -0.94 0.00 1.31 -2.11 3.32 -0.75 0.67 116.42 117.93 2vur h ASP 286 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2vur h ASP 286 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2vur h ASP 286 CO 0.13 0.00 -0.00 0.23 -1.72 0.00 0.00 179.24 177.88 2vur n MET 287 N -3.25 0.17 0.00 3.56 2.81 -0.78 -4.93 117.12 114.70 2vur n MET 287 Ca 0.05 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 2vur n MET 287 Cb 0.66 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 2vur n MET 287 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2vur n GLY 288 N 1.38 0.66 3.71 3.03 0.00 0.23 -4.97 105.19 109.24 2vur n GLY 288 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2vur n GLY 288 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vur s VAL 289 N -2.00 3.30 -0.03 1.61 1.01 -0.27 -4.92 120.40 119.09 2vur s VAL 289 Ca 0.00 0.88 0.01 0.00 0.00 0.00 0.00 61.98 62.87 2vur s VAL 289 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2vur s VAL 289 CO 0.00 0.05 0.04 0.54 0.00 0.00 0.00 175.10 175.73 2vur n ARG 290 N 4.41 3.90 -5.18 2.72 3.00 -1.26 -4.21 116.66 120.04 2vur n ARG 290 Ca 0.12 -0.00 -0.32 0.00 -0.01 0.00 0.00 57.85 57.64 2vur n ARG 290 Cb 0.42 -0.75 -0.16 0.00 0.00 0.00 0.00 32.46 31.97 2vur n ARG 290 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2vur s SER 291 N -1.53 3.29 0.02 0.55 0.01 -1.24 -0.40 113.70 114.38 2vur s SER 291 Ca 0.00 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 56.86 2vur s SER 291 Cb 0.01 -0.77 -0.02 0.00 0.21 0.00 0.00 66.02 65.45 2vur s SER 291 CO 0.05 0.27 -0.12 -0.36 0.41 0.00 0.00 173.24 173.50 2vur s PHE 292 N -0.33 1.03 -0.02 2.43 0.40 -1.26 -0.75 117.98 119.47 2vur s PHE 292 Ca 0.02 -0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.13 2vur s PHE 292 Cb -0.12 -0.63 -0.01 0.00 0.51 0.00 0.00 43.02 42.76 2vur s PHE 292 CO 0.02 -0.00 -0.19 0.00 0.70 0.00 0.00 175.22 175.75 2vur s ALA 293 N -0.61 1.62 -0.25 5.36 0.00 0.15 -1.96 121.76 126.08 2vur s ALA 293 Ca 0.02 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.17 2vur s ALA 293 Cb -0.06 -0.42 0.05 0.00 0.00 0.00 0.00 23.12 22.69 2vur s ALA 293 CO 0.00 0.39 -0.13 0.42 0.00 0.00 0.00 175.76 176.44 2vur s ILE 294 N -0.41 2.15 0.10 0.00 1.01 0.01 -0.45 121.20 123.61 2vur s ILE 294 Ca 0.06 -1.51 -0.25 0.00 0.00 0.00 0.00 60.65 58.96 2vur s ILE 294 Cb -0.08 -2.20 -0.07 0.00 0.01 0.00 0.00 42.46 40.12 2vur s ILE 294 CO -0.00 0.07 0.75 -0.31 0.00 0.00 0.00 174.94 175.45 2vur s TYR 295 N 1.13 3.81 -0.11 3.97 4.12 -0.18 -2.99 117.35 127.11 2vur s TYR 295 Ca -0.06 1.52 0.08 0.00 0.02 0.00 0.00 57.07 58.63 2vur s TYR 295 Cb -0.19 -2.77 0.15 0.00 -1.52 0.00 0.00 41.96 37.63 2vur s TYR 295 CO -0.06 0.41 1.09 0.91 0.02 0.00 0.00 175.55 177.91 2vur n TRP 296 N 2.20 0.07 0.25 2.71 7.02 0.12 -4.32 117.44 125.49 2vur n TRP 296 Ca -0.05 -0.70 0.09 0.00 -1.02 0.00 0.00 57.50 55.82 2vur n TRP 296 Cb 0.50 -0.10 0.66 0.00 -2.42 0.00 0.00 31.31 29.95 2vur n TRP 296 CO 0.00 0.00 0.00 0.38 -2.02 0.00 0.00 177.69 176.05 2vur h ASP 297 N 0.19 0.00 -0.15 -0.99 2.03 -1.72 -3.24 116.42 112.55 2vur h ASP 297 Ca 0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 2vur h ASP 297 Cb 0.74 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.21 2vur h ASP 297 CO 0.01 0.00 -0.14 -0.90 -1.03 0.00 0.00 179.24 177.18 2vur n ASP 298 N -4.49 2.56 -4.87 4.15 3.85 -1.26 -4.85 116.55 111.64 2vur n ASP 298 Ca -0.03 -3.44 -0.33 0.00 -0.71 0.00 0.00 54.79 50.28 2vur n ASP 298 Cb 0.11 -0.53 -0.06 0.00 -1.35 0.00 0.00 41.12 39.29 2vur n ASP 298 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 2vur s ILE 299 N -3.05 4.90 -0.06 2.12 -1.09 -1.22 -4.51 121.20 118.29 2vur s ILE 299 Ca 0.39 0.58 -0.14 0.00 -2.23 0.00 0.00 60.65 59.25 2vur s ILE 299 Cb 0.35 -3.64 -0.30 0.00 -1.58 0.00 0.00 42.46 37.28 2vur s ILE 299 CO 0.01 -0.01 0.68 1.56 -1.23 0.00 0.00 174.94 175.96 2vur h GLN 300 N 2.76 0.36 -5.70 2.79 4.20 -1.95 -3.42 115.11 114.16 2vur h GLN 300 Ca -0.47 -0.62 -0.35 0.00 0.06 0.00 0.00 58.65 57.27 2vur h GLN 300 Cb 1.17 0.23 -0.05 0.00 0.30 0.00 0.00 27.48 29.13 2vur h GLN 300 CO 0.68 1.30 0.94 0.34 -0.67 0.00 0.00 178.83 181.42 2vur s ASP 301 N -7.24 5.30 -1.51 1.46 -1.08 -1.26 -4.86 116.67 107.49 2vur s ASP 301 Ca -0.16 -1.06 -0.10 0.00 -0.52 0.00 0.00 52.55 50.71 2vur s ASP 301 Cb 0.05 -2.57 -0.00 0.00 -1.46 0.00 0.00 42.92 38.94 2vur s ASP 301 CO 0.84 -2.65 2.61 1.17 0.52 0.00 0.00 175.17 177.66 2vur n LYS 302 N 8.70 3.70 -3.43 4.34 4.81 -1.26 -4.86 118.16 130.16 2vur n LYS 302 Ca 0.41 -2.64 -0.44 0.00 -0.87 0.00 0.00 58.31 54.77 2vur n LYS 302 Cb 0.47 -2.88 -0.06 0.00 0.02 0.00 0.00 35.03 32.58 2vur n LYS 302 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2vur s SER 303 N 1.92 6.02 0.26 3.14 0.01 -1.26 -4.95 113.70 118.84 2vur s SER 303 Ca 0.60 -1.98 -0.01 0.00 1.31 0.00 0.00 55.95 55.86 2vur s SER 303 Cb 0.17 -2.12 0.52 0.00 0.21 0.00 0.00 66.02 64.80 2vur s SER 303 CO -0.07 -0.74 1.78 0.00 0.41 0.00 0.00 173.24 174.62 2vur h ALA 304 N 8.52 1.30 -0.47 1.44 0.00 -1.89 -0.73 119.26 127.43 2vur h ALA 304 Ca -0.21 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2vur h ALA 304 Cb 1.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2vur h ALA 304 CO 0.92 -0.02 0.14 0.00 0.00 0.00 0.00 179.25 180.29 2vur h ALA 305 N 1.54 0.62 -0.69 0.00 0.00 -1.91 -1.35 119.26 117.47 2vur h ALA 305 Ca 0.46 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2vur h ALA 305 Cb 0.59 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2vur h ALA 305 CO -0.33 0.28 0.15 0.87 0.00 0.00 0.00 179.25 180.22 2vur h LYS 306 N 0.63 1.12 0.31 0.00 1.57 -1.86 -1.04 116.57 117.31 2vur h LYS 306 Ca 0.15 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2vur h LYS 306 Cb 0.29 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2vur h LYS 306 CO -0.00 1.00 -0.15 0.45 -0.57 0.00 0.00 179.45 180.18 2vur h HIS 307 N 1.05 -0.39 -0.59 -1.35 3.86 -0.98 -1.88 115.15 114.87 2vur h HIS 307 Ca 0.21 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.36 2vur h HIS 307 Cb 0.40 0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 2vur h HIS 307 CO 0.03 -0.14 0.14 0.00 0.86 0.00 0.00 177.93 178.82 2vur h ALA 308 N 0.06 1.15 -0.50 2.45 0.00 -1.27 -1.89 119.26 119.26 2vur h ALA 308 Ca -0.04 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.72 2vur h ALA 308 Cb 0.42 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2vur h ALA 308 CO 0.07 0.58 0.16 0.37 0.00 0.00 0.00 179.25 180.43 2vur h GLN 309 N 0.87 0.31 -0.60 0.00 4.15 -1.18 0.33 115.11 119.00 2vur h GLN 309 Ca 0.19 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 2vur h GLN 309 Cb 0.31 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 2vur h GLN 309 CO -0.00 0.21 0.20 0.28 -1.93 0.00 0.00 178.83 177.58 2vur h VAL 310 N 0.32 1.24 -0.02 2.39 2.07 -0.95 -1.84 116.25 119.46 2vur h VAL 310 Ca 0.24 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2vur h VAL 310 Cb 0.28 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2vur h VAL 310 CO -0.26 0.30 0.01 -0.07 0.02 0.00 0.00 177.57 177.58 2vur h LEU 311 N 0.84 0.03 -0.52 2.57 3.38 -0.81 -1.37 115.31 119.42 2vur h LEU 311 Ca 0.19 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2vur h LEU 311 Cb 0.27 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2vur h LEU 311 CO -0.01 0.06 0.20 0.78 0.09 0.00 0.00 178.44 179.56 2vur h ASN 312 N -0.00 0.73 -0.24 -0.43 2.35 -0.31 -0.21 115.58 117.47 2vur h ASN 312 Ca 0.01 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.53 2vur h ASN 312 Cb 0.03 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2vur h ASN 312 CO -0.00 0.71 -0.02 -0.09 -1.65 0.00 0.00 177.43 176.37 2vur h ARG 313 N 0.71 0.56 -0.10 0.81 2.43 -1.25 -2.02 114.38 115.52 2vur h ARG 313 Ca 0.17 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2vur h ARG 313 Cb 0.21 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2vur h ARG 313 CO -0.01 0.60 -0.02 0.35 -1.51 0.00 0.00 179.97 179.38 2vur h PHE 314 N 0.53 0.21 -0.88 2.20 3.57 -0.80 -0.72 116.94 121.05 2vur h PHE 314 Ca 0.11 -0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.67 2vur h PHE 314 Cb 0.38 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.00 2vur h PHE 314 CO 0.01 0.50 0.57 -0.97 -2.23 0.00 0.00 178.31 176.19 2vur h ASN 315 N -0.14 0.76 0.16 0.41 -1.24 -0.96 -0.06 115.58 114.51 2vur h ASN 315 Ca 0.02 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 2vur h ASN 315 Cb 0.43 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.35 2vur h ASN 315 CO 0.01 0.44 -0.07 -0.08 -1.29 0.00 0.00 177.43 176.43 2vur h GLU 316 N 0.83 -0.20 0.00 6.67 4.57 -1.30 0.25 114.58 125.40 2vur h GLU 316 Ca 0.42 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 2vur h GLU 316 Cb 0.47 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2vur h GLU 316 CO -0.18 -0.13 0.00 0.93 -1.18 0.00 0.00 179.01 178.45 2vur h GLU 317 N -0.97 0.00 0.00 1.92 5.08 -1.13 -3.22 114.58 116.26 2vur h GLU 317 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2vur h GLU 317 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2vur h GLU 317 CO 0.04 0.00 0.00 0.34 -1.00 0.00 0.00 179.01 178.39 2vur n PHE 318 N -2.71 -0.65 0.22 4.33 7.35 -0.07 -4.65 117.46 121.28 2vur n PHE 318 Ca 0.01 0.12 -0.15 0.00 -0.76 0.00 0.00 57.45 56.67 2vur n PHE 318 Cb 0.26 0.16 -0.08 0.00 0.35 0.00 0.00 39.48 40.18 2vur n PHE 318 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2vur h VAL 319 N 0.00 0.63 -0.04 -2.13 2.07 -1.30 -1.78 116.25 113.71 2vur h VAL 319 Ca 0.00 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.33 2vur h VAL 319 Cb 0.00 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2vur h VAL 319 CO 0.00 0.02 -0.43 0.11 0.02 0.00 0.00 177.57 177.29 2vur h LYS 320 N -0.56 0.08 0.00 1.57 1.57 -0.64 -3.06 116.57 115.53 2vur h LYS 320 Ca -0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2vur h LYS 320 Cb 0.42 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2vur h LYS 320 CO 0.09 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.46 2vur n ALA 321 N -2.46 2.20 0.03 3.86 0.00 -1.14 -3.55 120.51 119.46 2vur n ALA 321 Ca -0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.22 2vur n ALA 321 Cb 0.47 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 2vur n ALA 321 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2vur h LYS 322 N 0.00 0.25 0.00 0.00 1.79 -1.22 -3.49 116.57 113.90 2vur h LYS 322 Ca 0.00 -0.43 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2vur h LYS 322 Cb 0.67 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 2vur h LYS 322 CO 0.00 1.10 0.00 0.41 -1.08 0.00 0.00 179.45 179.88 2vur n GLY 323 N 1.81 2.83 0.02 3.86 0.00 -1.21 -4.70 105.19 107.80 2vur n GLY 323 Ca -0.24 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.79 2vur n GLY 323 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2vur n ASP 324 N 0.39 1.41 -4.69 1.61 5.75 -1.26 -5.00 116.55 114.76 2vur n ASP 324 Ca 0.00 -1.82 -0.42 0.00 -0.01 0.00 0.00 54.79 52.53 2vur n ASP 324 Cb 0.00 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.02 2vur n ASP 324 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2vur s VAL 325 N -0.85 4.60 0.95 2.12 1.01 -1.26 -4.92 120.40 122.05 2vur s VAL 325 Ca 0.03 1.89 -0.11 0.00 0.00 0.00 0.00 61.98 63.78 2vur s VAL 325 Cb 0.02 -4.21 0.16 0.00 0.00 0.00 0.00 36.38 32.35 2vur s VAL 325 CO 0.00 -0.01 1.10 -0.54 0.00 0.00 0.00 175.10 175.66 2vur s LYS 326 N 2.13 0.77 0.36 2.72 -0.14 0.46 -4.89 119.74 121.15 2vur s LYS 326 Ca 0.51 1.22 -0.26 0.00 -1.36 0.00 0.00 55.97 56.07 2vur s LYS 326 Cb -0.20 -1.72 -0.12 0.00 -1.68 0.00 0.00 37.83 34.10 2vur s LYS 326 CO 0.19 -2.69 1.04 -2.30 -0.76 0.00 0.00 175.35 170.83 2vur n PRO 327 N -4.24 1.46 -2.19 -1.68 -0.02 -1.26 -4.70 135.00 122.37 2vur n PRO 327 Ca 0.09 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 2vur n PRO 327 Cb 0.53 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 2vur n PRO 327 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2vur s LEU 328 N -0.23 4.43 0.01 2.45 0.20 -1.26 -4.68 118.68 119.60 2vur s LEU 328 Ca 0.60 2.50 0.03 0.00 0.69 0.00 0.00 54.13 57.94 2vur s LEU 328 Cb -0.61 -3.62 -0.04 0.00 -0.43 0.00 0.00 46.19 41.49 2vur s LEU 328 CO 0.59 -0.51 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.47 2vur s ILE 329 N -0.36 3.90 -0.00 6.68 1.01 -0.83 -0.02 121.20 131.59 2vur s ILE 329 Ca 0.54 -0.71 -0.05 0.00 0.00 0.00 0.00 60.65 60.43 2vur s ILE 329 Cb -0.38 -2.73 -0.00 0.00 0.01 0.00 0.00 42.46 39.36 2vur s ILE 329 CO 0.43 0.37 0.10 0.28 0.00 0.00 0.00 174.94 176.11 2vur s THR 330 N -1.06 0.07 -0.25 2.92 -1.32 0.14 -0.81 115.64 115.34 2vur s THR 330 Ca 0.19 -0.60 -0.02 0.00 -1.21 0.00 0.00 61.69 60.04 2vur s THR 330 Cb -0.11 -0.34 0.02 0.00 -1.51 0.00 0.00 72.50 70.55 2vur s THR 330 CO 0.09 -0.33 -0.05 -0.69 -2.21 0.00 0.00 174.62 171.44 2vur s VAL 331 N -1.10 3.05 0.83 5.08 1.01 -1.16 -0.83 120.40 127.28 2vur s VAL 331 Ca -0.12 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 2vur s VAL 331 Cb -0.07 -2.52 0.09 0.00 0.00 0.00 0.00 36.38 33.88 2vur s VAL 331 CO 0.01 0.22 1.11 -2.84 0.00 0.00 0.00 175.10 173.60 2vur s PRO 332 N 1.37 1.80 0.29 2.72 0.02 -1.26 0.15 135.00 140.09 2vur s PRO 332 Ca 0.01 0.54 -0.01 0.00 0.02 0.00 0.00 61.00 61.56 2vur s PRO 332 Cb -0.16 -1.89 0.44 0.00 0.02 0.00 0.00 34.50 32.90 2vur s PRO 332 CO -0.04 -1.79 1.90 1.15 -0.33 0.00 0.00 177.00 177.89 2vur h THR 333 N -1.21 1.21 -3.58 0.99 2.02 -1.89 -3.36 112.91 107.09 2vur h THR 333 Ca -0.48 -0.59 -0.66 0.00 0.77 0.00 0.00 66.41 65.45 2vur h THR 333 Cb 1.29 0.36 -0.16 0.00 -1.74 0.00 0.00 68.15 67.90 2vur h THR 333 CO 0.60 0.25 -0.01 -1.61 0.37 0.00 0.00 175.52 175.12 2vur s GLU 334 N -5.54 3.36 0.00 6.66 2.02 -1.26 -4.80 118.70 119.14 2vur s GLU 334 Ca -0.11 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.50 2vur s GLU 334 Cb 0.17 -3.90 0.00 0.00 0.10 0.00 0.00 34.13 30.49 2vur s GLU 334 CO 0.79 -0.85 0.57 2.48 0.02 0.00 0.00 175.26 178.27 2vur n TYR 335 N 5.93 0.00 -4.22 1.61 4.11 -1.26 -4.81 117.16 118.53 2vur n TYR 335 Ca -0.04 -0.13 -0.18 0.00 -0.00 0.00 0.00 57.90 57.54 2vur n TYR 335 Cb 0.48 -0.01 -0.11 0.00 -0.00 0.00 0.00 39.34 39.69 2vur n TYR 335 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 2vur s ASP 336 N -0.27 1.90 0.31 9.48 1.47 -1.26 -0.91 116.67 127.39 2vur s ASP 336 Ca 0.00 -0.74 0.04 0.00 1.18 0.00 0.00 52.55 53.04 2vur s ASP 336 Cb 0.00 -0.06 0.66 0.00 -0.34 0.00 0.00 42.92 43.17 2vur s ASP 336 CO 0.00 -0.11 1.84 0.74 0.68 0.00 0.00 175.17 178.32 2vur h THR 337 N 3.82 0.87 -0.14 2.11 2.02 -1.02 -0.16 112.91 120.42 2vur h THR 337 Ca -0.41 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 2vur h THR 337 Cb 1.19 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2vur h THR 337 CO 0.46 0.16 0.01 1.23 0.37 0.00 0.00 175.52 177.75 2vur h GLY 338 N 0.88 0.21 1.45 2.16 0.00 -1.73 -0.34 103.07 105.68 2vur h GLY 338 Ca 0.49 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 2vur h GLY 338 CO -0.26 0.09 -0.58 0.00 0.00 0.00 0.00 176.54 175.79 2vur h ALA 339 N 1.82 0.72 0.00 3.60 0.00 -1.38 -3.38 119.26 120.64 2vur h ALA 339 Ca 0.05 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 2vur h ALA 339 Cb 0.12 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2vur h ALA 339 CO 0.00 0.04 -2.23 -1.33 0.00 0.00 0.00 179.25 175.73 2vur n MET 340 N -2.88 0.68 -4.62 0.00 2.81 -0.69 -4.83 117.12 107.58 2vur n MET 340 Ca 0.01 -0.05 -0.22 0.00 -1.81 0.00 0.00 57.70 55.63 2vur n MET 340 Cb 0.55 -1.54 -0.15 0.00 -0.71 0.00 0.00 33.22 31.38 2vur n MET 340 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2vur s VAL 341 N -2.80 1.14 -0.06 2.03 1.01 -0.21 -0.09 120.40 121.42 2vur s VAL 341 Ca -0.09 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2vur s VAL 341 Cb 0.08 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.53 2vur s VAL 341 CO 0.85 0.28 -0.06 -0.55 0.00 0.00 0.00 175.10 175.62 2vur s SER 342 N -0.45 1.41 -1.41 3.32 0.15 0.62 -4.74 113.70 112.61 2vur s SER 342 Ca 0.05 -0.19 -0.11 0.00 0.70 0.00 0.00 55.95 56.40 2vur s SER 342 Cb -0.06 -0.60 0.01 0.00 -1.71 0.00 0.00 66.02 63.66 2vur s SER 342 CO -0.00 -0.06 0.31 0.59 1.20 0.00 0.00 173.24 175.28 2vur n ASN 343 N 4.24 -1.05 0.00 5.45 3.02 -1.26 -1.63 115.26 124.04 2vur n ASN 343 Ca -0.20 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 2vur n ASN 343 Cb 0.51 -2.02 0.00 0.00 -0.61 0.00 0.00 39.78 37.66 2vur n ASN 343 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vur n GLY 344 N -2.28 0.55 3.39 7.41 0.00 -1.26 -5.03 105.19 107.97 2vur n GLY 344 Ca -0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 2vur n GLY 344 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vur s GLN 345 N -0.43 1.43 0.38 1.61 -1.52 -0.64 -5.12 119.66 115.36 2vur s GLN 345 Ca 0.00 -1.52 -0.27 0.00 -1.95 0.00 0.00 55.36 51.62 2vur s GLN 345 Cb 0.00 -1.56 -0.09 0.00 -0.22 0.00 0.00 33.01 31.13 2vur s GLN 345 CO 0.00 0.32 1.28 -1.25 -0.25 0.00 0.00 175.29 175.39 2vur s PRO 346 N -2.94 4.12 1.06 2.91 0.04 -1.26 -0.28 135.00 138.65 2vur s PRO 346 Ca 0.20 2.12 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 2vur s PRO 346 Cb -0.06 -2.86 0.22 0.00 0.04 0.00 0.00 34.50 31.85 2vur s PRO 346 CO 0.09 -0.35 1.06 1.03 0.04 0.00 0.00 177.00 178.87 2vur s ARG 347 N -2.09 -0.09 0.18 4.56 0.52 0.87 -4.65 118.95 118.25 2vur s ARG 347 Ca 0.54 0.81 -0.13 0.00 -0.52 0.00 0.00 55.73 56.43 2vur s ARG 347 Cb -0.37 -1.65 0.16 0.00 0.52 0.00 0.00 34.95 33.60 2vur s ARG 347 CO 0.48 -3.16 1.77 0.00 0.02 0.00 0.00 175.30 174.42 2vur h ALA 348 N -2.21 0.64 0.48 2.13 0.00 -1.95 0.13 119.26 118.47 2vur h ALA 348 Ca -0.56 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2vur h ALA 348 Cb 1.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2vur h ALA 348 CO 0.52 -0.14 -0.32 -0.92 0.00 0.00 0.00 179.25 178.38 2vur h TYR 349 N 0.44 -0.86 -0.51 0.00 3.20 -1.94 -2.62 116.97 114.69 2vur h TYR 349 Ca 0.23 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.14 2vur h TYR 349 Cb 0.19 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 2vur h TYR 349 CO -0.13 -0.49 0.34 1.15 -1.64 0.00 0.00 178.16 177.40 2vur h THR 350 N -0.78 1.01 -0.11 1.81 2.02 -1.82 0.11 112.91 115.17 2vur h THR 350 Ca -0.05 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 2vur h THR 350 Cb 0.65 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2vur h THR 350 CO 0.03 0.09 -0.03 -0.09 0.37 0.00 0.00 175.52 175.89 2vur h ARG 351 N 0.51 0.22 -0.41 6.66 2.43 -0.65 -0.65 114.38 122.49 2vur h ARG 351 Ca 0.21 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 2vur h ARG 351 Cb 0.21 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2vur h ARG 351 CO -0.06 0.53 -0.30 0.82 -1.51 0.00 0.00 179.97 179.45 2vur h ILE 352 N -0.11 1.27 0.50 1.20 2.04 -1.11 -2.76 117.51 118.55 2vur h ILE 352 Ca 0.03 -1.47 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 2vur h ILE 352 Cb 0.46 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2vur h ILE 352 CO 0.01 0.49 -0.24 0.15 0.00 0.00 0.00 178.15 178.56 2vur h PHE 353 N 0.77 -0.63 -0.63 1.37 3.57 -0.73 -2.11 116.94 118.55 2vur h PHE 353 Ca 0.08 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.60 2vur h PHE 353 Cb 0.87 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.79 2vur h PHE 353 CO 0.05 -0.39 0.42 0.00 -2.23 0.00 0.00 178.31 176.16 2vur h ALA 354 N -0.17 1.67 0.00 2.41 0.00 -1.17 -0.14 119.26 121.86 2vur h ALA 354 Ca -0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2vur h ALA 354 Cb 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2vur h ALA 354 CO 0.11 0.26 -0.33 1.05 0.00 0.00 0.00 179.25 180.35 2vur h GLU 355 N 0.74 0.00 0.00 0.00 4.11 -1.43 -3.37 114.58 114.63 2vur h GLU 355 Ca 0.25 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.38 2vur h GLU 355 Cb 0.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 2vur h GLU 355 CO -0.07 0.33 -1.70 2.41 0.07 0.00 0.00 179.01 180.05 2vur n THR 356 N -3.26 1.53 -1.69 -1.06 -1.04 -0.80 -4.97 114.28 102.99 2vur n THR 356 Ca 0.02 -0.14 -0.44 0.00 -2.04 0.00 0.00 64.05 61.44 2vur n THR 356 Cb 0.60 -2.00 -0.03 0.00 -1.82 0.00 0.00 70.33 67.07 2vur n THR 356 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2vur n VAL 357 N -4.37 0.51 -1.73 12.58 3.14 -0.13 -4.90 118.33 123.43 2vur n VAL 357 Ca -0.39 -0.13 -0.42 0.00 -2.96 0.00 0.00 64.34 60.45 2vur n VAL 357 Cb 0.74 -1.67 0.00 0.00 -1.06 0.00 0.00 33.84 31.85 2vur n VAL 357 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2vur n ASP 358 N 2.84 3.10 0.34 6.55 8.00 -1.26 -4.89 116.55 131.23 2vur n ASP 358 Ca 0.13 1.19 0.17 0.00 0.71 0.00 0.00 54.79 56.99 2vur n ASP 358 Cb 0.32 -1.54 0.92 0.00 -0.02 0.00 0.00 41.12 40.80 2vur n ASP 358 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2vur h PRO 359 N 2.56 0.00 -0.00 -0.24 0.13 -1.96 -2.18 132.00 130.31 2vur h PRO 359 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2vur h PRO 359 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2vur h PRO 359 CO 0.62 0.00 -0.05 -1.13 -0.23 0.00 0.00 178.00 177.21 2vur n SER 360 N -2.94 0.16 -4.75 1.44 3.41 -1.26 -4.87 113.62 104.82 2vur n SER 360 Ca -0.02 -0.23 -0.39 0.00 -0.26 0.00 0.00 58.87 57.97 2vur n SER 360 Cb 0.31 -0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 2vur n SER 360 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2vur s ILE 361 N -2.59 4.94 -0.03 -1.33 1.01 -0.82 -4.37 121.20 118.00 2vur s ILE 361 Ca 0.27 1.33 -0.30 0.00 0.00 0.00 0.00 60.65 61.95 2vur s ILE 361 Cb 0.20 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 2vur s ILE 361 CO 0.48 0.36 1.05 -1.61 0.00 0.00 0.00 174.94 175.22 2vur s GLU 362 N 0.14 4.47 -0.19 2.79 0.41 0.97 -4.97 118.70 122.32 2vur s GLU 362 Ca 0.33 1.50 -0.02 0.00 -0.41 0.00 0.00 54.97 56.37 2vur s GLU 362 Cb -0.18 -3.48 -0.01 0.00 -1.78 0.00 0.00 34.13 28.68 2vur s GLU 362 CO 0.18 -0.22 -0.09 0.08 -0.49 0.00 0.00 175.26 174.71 2vur s VAL 363 N 1.52 3.09 -0.02 2.63 1.01 -1.26 0.27 120.40 127.63 2vur s VAL 363 Ca 0.52 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 2vur s VAL 363 Cb -0.22 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 2vur s VAL 363 CO 0.24 0.47 0.46 -0.04 0.00 0.00 0.00 175.10 176.23 2vur s MET 364 N 1.10 4.10 0.06 2.72 1.00 -0.01 -1.02 119.30 127.25 2vur s MET 364 Ca 0.01 0.48 0.00 0.00 0.00 0.00 0.00 55.69 56.18 2vur s MET 364 Cb -0.15 -3.29 -0.04 0.00 0.00 0.00 0.00 34.83 31.36 2vur s MET 364 CO -0.02 0.52 -0.04 1.67 0.00 0.00 0.00 175.02 177.14 2vur s TRP 365 N -0.56 0.63 -2.65 -0.03 -2.14 -0.22 -4.48 118.94 109.48 2vur s TRP 365 Ca 0.25 -0.94 0.24 0.00 2.66 0.00 0.00 56.10 58.31 2vur s TRP 365 Cb -0.17 -0.42 0.46 0.00 -3.10 0.00 0.00 33.47 30.25 2vur s TRP 365 CO 0.13 -0.27 1.41 0.25 -2.66 0.00 0.00 176.95 175.82 2vur n THR 366 N 0.27 0.21 0.00 0.66 -2.24 -0.09 -1.53 114.28 111.56 2vur n THR 366 Ca -0.15 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 2vur n THR 366 Cb 0.60 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 2vur n THR 366 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vur n GLY 367 N 1.36 -1.77 0.44 3.38 0.00 -1.26 -4.64 105.19 102.69 2vur n GLY 367 Ca 0.17 -2.09 0.25 0.00 0.00 0.00 0.00 46.02 44.35 2vur n GLY 367 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2vur h PRO 368 N 0.74 0.00 -4.27 1.61 0.11 -1.95 0.11 132.00 128.36 2vur h PRO 368 Ca 0.00 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.84 2vur h PRO 368 Cb 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.01 2vur h PRO 368 CO 0.00 0.00 -0.30 0.20 -0.21 0.00 0.00 178.00 177.69 2vur s GLY 369 N -3.88 1.49 0.08 -0.55 0.00 -1.26 -2.37 107.32 100.83 2vur s GLY 369 Ca -0.04 -1.55 -0.22 0.00 0.00 0.00 0.00 44.72 42.91 2vur s GLY 369 CO 0.64 -1.09 1.64 -2.08 0.00 0.00 0.00 173.10 172.20 2vur h VAL 370 N 2.22 1.12 -3.36 1.40 2.07 -1.87 -3.40 116.25 114.43 2vur h VAL 370 Ca -0.29 -0.36 -0.56 0.00 0.82 0.00 0.00 66.70 66.32 2vur h VAL 370 Cb 1.24 1.17 -0.38 0.00 -1.52 0.00 0.00 31.29 31.80 2vur h VAL 370 CO 0.40 0.11 -0.79 -0.69 0.02 0.00 0.00 177.57 176.62 2vur s VAL 371 N -5.68 1.10 0.04 2.57 1.01 -1.26 -4.39 120.40 113.80 2vur s VAL 371 Ca -0.14 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 2vur s VAL 371 Cb 0.06 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 2vur s VAL 371 CO 0.69 0.08 0.16 0.28 0.00 0.00 0.00 175.10 176.31 2vur s THR 372 N 1.63 0.12 0.22 3.92 -1.32 -1.03 -3.06 115.64 116.12 2vur s THR 372 Ca -0.00 -0.97 -0.08 0.00 -1.21 0.00 0.00 61.69 59.44 2vur s THR 372 Cb -0.16 -0.92 0.17 0.00 -1.51 0.00 0.00 72.50 70.08 2vur s THR 372 CO -0.08 -0.53 1.78 0.78 -2.21 0.00 0.00 174.62 174.37 2vur h ASN 373 N 3.50 0.47 -5.22 8.08 2.35 -1.82 -3.41 115.58 119.53 2vur h ASN 373 Ca -0.32 0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.37 2vur h ASN 373 Cb 1.19 -0.03 -0.14 0.00 0.05 0.00 0.00 38.32 39.39 2vur h ASN 373 CO 0.49 0.28 -0.47 -1.61 -1.65 0.00 0.00 177.43 174.46 2vur s GLU 374 N -6.07 0.83 -0.44 0.81 2.02 -1.26 -4.29 118.70 110.31 2vur s GLU 374 Ca -0.13 -1.11 0.03 0.00 0.02 0.00 0.00 54.97 53.79 2vur s GLU 374 Cb 0.18 0.30 0.12 0.00 0.10 0.00 0.00 34.13 34.83 2vur s GLU 374 CO 0.76 -0.25 0.18 0.42 0.02 0.00 0.00 175.26 176.40 2vur s ILE 375 N -3.91 2.11 0.86 -1.63 1.01 -0.68 -4.28 121.20 114.68 2vur s ILE 375 Ca 0.09 -2.74 -0.11 0.00 0.00 0.00 0.00 60.65 57.89 2vur s ILE 375 Cb 0.06 -2.50 0.11 0.00 0.01 0.00 0.00 42.46 40.13 2vur s ILE 375 CO -0.08 -0.75 1.09 -2.16 0.00 0.00 0.00 174.94 173.04 2vur s PRO 376 N 0.33 1.57 0.25 2.79 0.04 -1.26 -1.89 135.00 136.82 2vur s PRO 376 Ca 0.15 0.90 -0.05 0.00 0.04 0.00 0.00 61.00 62.05 2vur s PRO 376 Cb -0.23 -1.84 0.34 0.00 0.04 0.00 0.00 34.50 32.81 2vur s PRO 376 CO -0.04 -2.05 1.87 1.25 0.04 0.00 0.00 177.00 178.07 2vur h LEU 377 N -1.41 0.95 -1.20 -3.56 5.85 -1.96 -1.88 115.31 112.10 2vur h LEU 377 Ca -0.48 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.31 2vur h LEU 377 Cb 1.27 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 2vur h LEU 377 CO 0.54 0.62 0.56 0.77 -0.34 0.00 0.00 178.44 180.59 2vur h SER 378 N 1.09 0.85 -0.29 1.25 4.64 -1.99 -0.90 113.55 118.20 2vur h SER 378 Ca 0.39 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.69 2vur h SER 378 Cb 0.12 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 2vur h SER 378 CO -0.16 0.55 0.09 -0.78 -0.87 0.00 0.00 176.83 175.67 2vur h ASP 379 N 0.97 0.43 -0.53 4.97 3.58 -1.70 -0.74 116.42 123.40 2vur h ASP 379 Ca 0.36 -0.21 -0.06 0.00 0.42 0.00 0.00 57.03 57.54 2vur h ASP 379 Cb 0.19 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 2vur h ASP 379 CO -0.13 0.53 0.11 0.00 -2.88 0.00 0.00 179.24 176.87 2vur h ALA 380 N 0.92 1.10 -0.28 -0.78 0.00 -1.38 -1.31 119.26 117.53 2vur h ALA 380 Ca 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2vur h ALA 380 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2vur h ALA 380 CO -0.00 0.59 0.07 0.37 0.00 0.00 0.00 179.25 180.28 2vur h GLN 381 N 0.87 0.45 -0.27 0.00 4.15 -1.12 0.14 115.11 119.34 2vur h GLN 381 Ca 0.18 -0.11 0.05 0.00 0.77 0.00 0.00 58.65 59.55 2vur h GLN 381 Cb 0.36 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 2vur h GLN 381 CO 0.01 0.53 -0.06 1.25 -1.93 0.00 0.00 178.83 178.63 2vur h LEU 382 N 0.29 -0.23 -0.03 -2.39 5.85 -0.84 -0.76 115.31 117.21 2vur h LEU 382 Ca 0.09 0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.73 2vur h LEU 382 Cb 0.28 0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.48 2vur h LEU 382 CO 0.00 -0.08 -0.59 0.40 -0.34 0.00 0.00 178.44 177.83 2vur h ILE 383 N 0.01 1.41 -0.73 4.05 1.08 -1.13 -2.13 117.51 120.07 2vur h ILE 383 Ca 0.13 -2.02 0.04 0.00 -0.39 0.00 0.00 64.86 62.62 2vur h ILE 383 Cb 0.19 2.49 -0.04 0.00 -3.07 0.00 0.00 36.82 36.39 2vur h ILE 383 CO -0.27 0.59 0.48 -1.28 -0.69 0.00 0.00 178.15 176.98 2vur h SER 384 N -0.03 0.75 -0.42 1.72 0.87 -0.74 -1.51 113.55 114.18 2vur h SER 384 Ca -0.07 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.35 2vur h SER 384 Cb 1.28 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 2vur h SER 384 CO 0.12 0.51 -0.24 1.23 -0.53 0.00 0.00 176.83 177.92 2vur h GLY 385 N 0.87 1.02 0.97 5.77 0.00 -1.05 0.43 103.07 111.08 2vur h GLY 385 Ca 0.29 -0.91 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 2vur h GLY 385 CO -0.09 0.83 0.16 -2.22 0.00 0.00 0.00 176.54 175.22 2vur h ILE 386 N 0.80 1.10 -0.09 2.60 2.04 -0.85 -2.92 117.51 120.19 2vur h ILE 386 Ca 0.10 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2vur h ILE 386 Cb 0.81 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2vur h ILE 386 CO 0.07 0.10 0.00 -1.22 0.00 0.00 0.00 178.15 177.10 2vur n TYR 387 N -4.86 0.12 -3.87 1.37 4.02 -0.62 -4.87 117.16 108.45 2vur n TYR 387 Ca -0.02 -0.06 -0.29 0.00 -0.01 0.00 0.00 57.90 57.52 2vur n TYR 387 Cb 0.05 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.32 2vur n TYR 387 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2vur n ASN 388 N -0.08 -1.65 -3.83 7.72 5.15 0.11 -4.91 115.26 117.75 2vur n ASN 388 Ca 0.16 -0.67 -0.08 0.00 -0.60 0.00 0.00 54.58 53.39 2vur n ASN 388 Cb 0.24 -1.48 -0.03 0.00 -0.53 0.00 0.00 39.78 37.98 2vur n ASN 388 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vur s ARG 389 N -6.50 1.60 0.29 1.20 1.04 -1.00 -5.04 118.95 110.54 2vur s ARG 389 Ca 0.56 -0.99 -0.30 0.00 -1.04 0.00 0.00 55.73 53.97 2vur s ARG 389 Cb -0.33 0.55 -0.11 0.00 -2.04 0.00 0.00 34.95 33.03 2vur s ARG 389 CO 0.69 -0.70 1.48 -0.80 -0.04 0.00 0.00 175.30 175.93 2vur s ASN 390 N -2.92 6.53 0.33 -2.89 0.02 -1.26 -4.53 114.94 110.21 2vur s ASN 390 Ca 0.13 2.82 0.05 0.00 -1.02 0.00 0.00 52.86 54.84 2vur s ASN 390 Cb -0.03 -2.64 -0.01 0.00 0.02 0.00 0.00 41.25 38.59 2vur s ASN 390 CO 0.04 -0.78 0.48 -0.04 0.02 0.00 0.00 177.10 176.82 2vur s MET 391 N -0.85 3.18 -0.09 -0.60 -1.94 0.86 -4.73 119.30 115.14 2vur s MET 391 Ca 0.58 -0.88 -0.01 0.00 -1.71 0.00 0.00 55.69 53.67 2vur s MET 391 Cb -0.44 -2.80 -0.03 0.00 2.01 0.00 0.00 34.83 33.57 2vur s MET 391 CO 0.49 0.09 -0.02 0.00 -0.01 0.00 0.00 175.02 175.57 2vur s ALA 392 N -2.19 3.17 -0.19 3.03 0.00 -0.19 -1.77 121.76 123.63 2vur s ALA 392 Ca 0.43 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.47 2vur s ALA 392 Cb -0.09 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 2vur s ALA 392 CO 0.32 0.55 0.10 0.08 0.00 0.00 0.00 175.76 176.81 2vur s VAL 393 N -0.75 5.15 -0.39 0.00 1.01 0.10 -1.06 120.40 124.47 2vur s VAL 393 Ca 0.11 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 2vur s VAL 393 Cb -0.11 -3.34 0.08 0.00 0.00 0.00 0.00 36.38 33.01 2vur s VAL 393 CO 0.02 0.45 0.18 0.86 0.00 0.00 0.00 175.10 176.61 2vur s TRP 394 N 0.34 3.40 -0.32 5.22 -0.11 -0.58 -0.83 118.94 126.06 2vur s TRP 394 Ca 0.06 -1.88 -0.11 0.00 1.22 0.00 0.00 56.10 55.39 2vur s TRP 394 Cb -0.12 -2.84 -0.01 0.00 -1.50 0.00 0.00 33.47 29.00 2vur s TRP 394 CO -0.01 -0.87 0.19 -0.46 -4.62 0.00 0.00 176.95 171.18 2vur s TRP 395 N 1.30 3.20 -1.36 5.86 -0.11 -0.36 -3.91 118.94 123.56 2vur s TRP 395 Ca 0.03 -0.41 -0.08 0.00 1.22 0.00 0.00 56.10 56.86 2vur s TRP 395 Cb -0.22 -2.41 -0.03 0.00 -1.50 0.00 0.00 33.47 29.31 2vur s TRP 395 CO -0.01 -0.41 2.81 0.09 -4.62 0.00 0.00 176.95 174.81 2vur n ASN 396 N 5.04 8.20 -3.66 5.86 3.02 -1.26 -0.73 115.26 131.72 2vur n ASN 396 Ca -0.13 -2.78 -0.10 0.00 -0.03 0.00 0.00 54.58 51.53 2vur n ASN 396 Cb 0.49 -1.47 -0.08 0.00 -0.61 0.00 0.00 39.78 38.11 2vur n ASN 396 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2vur s TYR 397 N 0.79 -0.82 -2.04 3.10 5.04 -1.23 -4.41 117.35 117.79 2vur s TYR 397 Ca 0.64 1.76 0.11 0.00 -2.44 0.00 0.00 57.07 57.13 2vur s TYR 397 Cb 0.20 0.40 0.35 0.00 0.35 0.00 0.00 41.96 43.27 2vur s TYR 397 CO -0.07 -0.41 1.27 -0.35 -1.34 0.00 0.00 175.55 174.65 2vur n PRO 398 N 3.75 1.61 -1.49 4.97 -0.04 -1.04 -4.22 135.00 138.55 2vur n PRO 398 Ca -0.19 -0.95 -0.56 0.00 -0.04 0.00 0.00 63.50 61.77 2vur n PRO 398 Cb 0.57 -1.24 -0.07 0.00 -0.04 0.00 0.00 33.50 32.72 2vur n PRO 398 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2vur n VAL 399 N 0.25 0.44 -1.00 0.52 3.14 0.71 -4.38 118.33 118.01 2vur n VAL 399 Ca 0.10 -0.11 0.07 0.00 -2.96 0.00 0.00 64.34 61.45 2vur n VAL 399 Cb 0.24 -0.08 0.10 0.00 -1.06 0.00 0.00 33.84 33.04 2vur n VAL 399 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2vur n THR 400 N 1.25 1.53 0.31 1.55 -2.24 -1.26 -4.85 114.28 110.56 2vur n THR 400 Ca 0.19 -1.80 0.18 0.00 -2.27 0.00 0.00 64.05 60.35 2vur n THR 400 Cb 0.13 -0.03 0.98 0.00 -2.10 0.00 0.00 70.33 69.31 2vur n THR 400 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2vur h ASP 401 N 0.00 0.00 0.15 3.42 3.04 -1.90 0.74 116.42 121.86 2vur h ASP 401 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2vur h ASP 401 Cb 0.96 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.25 2vur h ASP 401 CO 0.00 0.03 -0.38 0.00 -2.04 0.00 0.00 179.24 176.85 2vur n TYR 402 N -3.41 0.00 -2.84 4.15 0.18 -1.26 -4.50 117.16 109.48 2vur n TYR 402 Ca -0.02 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.65 2vur n TYR 402 Cb 0.14 -0.08 0.02 0.00 -0.38 0.00 0.00 39.34 39.04 2vur n TYR 402 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2vur n PHE 403 N -0.49 -2.78 0.33 -3.48 7.35 0.21 -4.96 117.46 113.64 2vur n PHE 403 Ca 0.10 -2.10 0.14 0.00 -0.76 0.00 0.00 57.45 54.84 2vur n PHE 403 Cb 0.39 1.19 0.49 0.00 0.35 0.00 0.00 39.48 41.89 2vur n PHE 403 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2vur h LYS 404 N 4.05 0.00 0.00 -4.13 1.57 -1.68 -2.97 116.57 113.41 2vur h LYS 404 Ca -0.10 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2vur h LYS 404 Cb 1.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 2vur h LYS 404 CO 0.34 0.00 -0.13 0.78 -0.57 0.00 0.00 179.45 179.88 2vur h GLY 405 N 2.87 0.00 -5.59 3.86 0.00 -1.87 -3.43 103.07 98.92 2vur h GLY 405 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 2vur h GLY 405 CO 0.00 0.00 -0.57 1.25 0.00 0.00 0.00 176.54 177.22 2vur s LYS 406 N -4.35 3.36 -0.05 4.80 2.20 -1.12 -0.97 119.74 123.60 2vur s LYS 406 Ca -0.03 -0.32 -0.18 0.00 -0.36 0.00 0.00 55.97 55.08 2vur s LYS 406 Cb 0.14 -3.00 -0.05 0.00 -1.51 0.00 0.00 37.83 33.41 2vur s LYS 406 CO 0.61 0.61 0.48 -0.51 -0.36 0.00 0.00 175.35 176.19 2vur s LEU 407 N -0.61 4.38 -0.60 5.43 1.43 -1.26 -4.87 118.68 122.59 2vur s LEU 407 Ca 0.11 0.95 -0.18 0.00 -1.03 0.00 0.00 54.13 53.99 2vur s LEU 407 Cb -0.12 -2.71 0.12 0.00 0.03 0.00 0.00 46.19 43.51 2vur s LEU 407 CO 0.02 0.14 0.65 0.00 0.23 0.00 0.00 176.35 177.40 2vur s ALA 408 N -0.20 3.54 -0.24 4.21 0.00 -1.26 -4.54 121.76 123.27 2vur s ALA 408 Ca 0.26 -2.43 0.13 0.00 0.00 0.00 0.00 51.96 49.92 2vur s ALA 408 Cb -0.16 -3.45 0.30 0.00 0.00 0.00 0.00 23.12 19.81 2vur s ALA 408 CO 0.13 -2.25 1.22 1.28 0.00 0.00 0.00 175.76 176.14 2vur n LEU 409 N 5.80 2.82 -4.98 0.00 4.32 -0.29 -4.77 117.00 119.90 2vur n LEU 409 Ca -0.09 -2.68 -0.20 0.00 -0.02 0.00 0.00 56.01 53.03 2vur n LEU 409 Cb 0.42 -0.35 0.02 0.00 -1.62 0.00 0.00 43.42 41.90 2vur n LEU 409 CO 0.55 0.66 0.19 -0.83 -1.22 0.00 0.00 177.39 176.74 2vur s GLY 410 N -1.93 1.96 0.69 -0.72 0.00 -1.26 -4.72 107.32 101.34 2vur s GLY 410 Ca 0.27 -1.84 -0.11 0.00 0.00 0.00 0.00 44.72 43.04 2vur s GLY 410 CO 0.06 -1.68 1.08 2.56 0.00 0.00 0.00 173.10 175.12 2vur s PRO 411 N -4.43 2.91 0.02 2.90 0.04 -1.26 -4.09 135.00 131.08 2vur s PRO 411 Ca 0.53 0.45 -0.37 0.00 0.04 0.00 0.00 61.00 61.65 2vur s PRO 411 Cb -0.06 -2.04 -0.16 0.00 0.04 0.00 0.00 34.50 32.28 2vur s PRO 411 CO 0.33 -0.98 1.47 -1.33 0.04 0.00 0.00 177.00 176.53 2vur n MET 412 N -2.96 1.32 -3.74 4.56 2.81 -1.26 -4.69 117.12 113.16 2vur n MET 412 Ca 0.07 0.48 -0.12 0.00 -1.81 0.00 0.00 57.70 56.31 2vur n MET 412 Cb 0.57 -2.15 -0.12 0.00 -0.71 0.00 0.00 33.22 30.81 2vur n MET 412 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2vur s HIS 413 N 1.29 -0.38 0.00 2.03 5.04 -1.26 -4.79 115.29 117.22 2vur s HIS 413 Ca 0.87 0.89 0.00 0.00 -1.54 0.00 0.00 55.06 55.28 2vur s HIS 413 Cb -0.93 0.12 0.00 0.00 0.04 0.00 0.00 32.58 31.81 2vur s HIS 413 CO 0.50 -0.23 0.00 0.41 -2.34 0.00 0.00 174.74 173.08 2vur n GLY 414 N 3.74 0.90 3.60 1.59 0.00 -1.26 -4.68 105.19 109.07 2vur n GLY 414 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2vur n GLY 414 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vur s LEU 415 N 0.00 4.14 0.21 0.99 1.43 -1.26 -1.69 118.68 122.50 2vur s LEU 415 Ca 0.00 0.43 -0.32 0.00 -1.03 0.00 0.00 54.13 53.21 2vur s LEU 415 Cb 0.00 -2.93 -0.14 0.00 0.03 0.00 0.00 46.19 43.14 2vur s LEU 415 CO 0.00 -0.60 1.31 -0.67 0.23 0.00 0.00 176.35 176.62 2vur n ASP 416 N 6.13 2.18 0.00 2.29 -0.08 -0.79 -4.85 116.55 121.42 2vur n ASP 416 Ca 0.01 1.14 0.11 0.00 -1.51 0.00 0.00 54.79 54.55 2vur n ASP 416 Cb 0.48 -1.34 0.63 0.00 2.34 0.00 0.00 41.12 43.23 2vur n ASP 416 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2vur n LYS 417 N 1.94 0.54 -0.34 -0.67 5.02 -1.26 -2.57 118.16 120.82 2vur n LYS 417 Ca 0.13 0.03 0.07 0.00 -2.02 0.00 0.00 58.31 56.53 2vur n LYS 417 Cb 0.29 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 34.02 2vur n LYS 417 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vur n GLY 418 N 0.50 3.37 0.26 0.72 0.00 -1.26 -4.33 105.19 104.44 2vur n GLY 418 Ca 0.14 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.50 2vur n GLY 418 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2vur h LEU 419 N 2.08 0.08 -1.97 0.99 5.85 -1.87 -2.32 115.31 118.15 2vur h LEU 419 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2vur h LEU 419 Cb 1.13 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2vur h LEU 419 CO 0.13 0.10 0.26 -0.55 -0.34 0.00 0.00 178.44 178.03 2vur h ASN 420 N 0.09 0.00 -0.06 1.25 7.08 -1.85 0.99 115.58 123.09 2vur h ASN 420 Ca 0.02 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.21 2vur h ASN 420 Cb 0.06 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.29 2vur h ASN 420 CO 0.00 0.00 -0.03 -0.61 -2.08 0.00 0.00 177.43 174.71 2vur h GLN 421 N 0.00 0.24 0.00 4.14 4.15 -1.81 -3.28 115.11 118.54 2vur h GLN 421 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2vur h GLN 421 Cb 0.52 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.16 2vur h GLN 421 CO 0.00 0.29 0.00 0.66 -1.93 0.00 0.00 178.83 177.85 2vur n TYR 422 N -4.36 0.00 -4.68 3.99 4.01 0.19 -4.99 117.16 111.31 2vur n TYR 422 Ca -0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 2vur n TYR 422 Cb 0.19 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.06 2vur n TYR 422 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2vur s VAL 423 N -0.62 1.39 -0.39 -0.72 1.01 -0.31 -0.10 120.40 120.66 2vur s VAL 423 Ca 0.00 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.43 2vur s VAL 423 Cb 0.00 -1.25 0.17 0.00 0.00 0.00 0.00 36.38 35.30 2vur s VAL 423 CO 0.00 0.41 1.13 -0.90 0.00 0.00 0.00 175.10 175.75 2vur n ASP 424 N 3.84 2.49 -3.30 3.32 5.75 -0.73 -4.29 116.55 123.63 2vur n ASP 424 Ca -0.21 -2.12 0.03 0.00 -0.01 0.00 0.00 54.79 52.48 2vur n ASP 424 Cb 0.52 -0.15 -0.02 0.00 -1.03 0.00 0.00 41.12 40.44 2vur n ASP 424 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2vur s PHE 425 N -1.20 -1.41 -0.11 2.11 5.99 -1.24 -2.68 117.98 119.44 2vur s PHE 425 Ca 0.13 1.77 -0.01 0.00 0.00 0.00 0.00 56.93 58.83 2vur s PHE 425 Cb 0.08 0.60 0.03 0.00 0.00 0.00 0.00 43.02 43.73 2vur s PHE 425 CO 0.07 -0.75 -0.07 0.12 -0.00 0.00 0.00 175.22 174.59 2vur s PHE 426 N 2.86 1.40 0.13 10.12 5.36 0.71 0.01 117.98 138.58 2vur s PHE 426 Ca 0.11 -0.70 0.06 0.00 -0.96 0.00 0.00 56.93 55.44 2vur s PHE 426 Cb -0.13 -1.19 -0.04 0.00 -0.34 0.00 0.00 43.02 41.32 2vur s PHE 426 CO -0.19 -0.50 -0.13 0.95 -1.46 0.00 0.00 175.22 173.88 2vur s THR 427 N 1.73 1.32 0.02 0.12 -4.23 -0.01 -1.53 115.64 113.07 2vur s THR 427 Ca 0.05 -1.78 0.08 0.00 -1.18 0.00 0.00 61.69 58.86 2vur s THR 427 Cb -0.13 -1.58 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 2vur s THR 427 CO -0.08 -0.47 -0.23 0.68 -0.54 0.00 0.00 174.62 173.99 2vur s VAL 428 N -2.32 2.40 -0.44 2.29 -7.23 -0.74 -1.22 120.40 113.13 2vur s VAL 428 Ca 0.10 -1.23 -0.20 0.00 -1.81 0.00 0.00 61.98 58.85 2vur s VAL 428 Cb -0.04 -1.94 0.03 0.00 0.56 0.00 0.00 36.38 34.99 2vur s VAL 428 CO 0.03 0.41 0.58 0.21 -0.31 0.00 0.00 175.10 176.02 2vur s ASN 429 N -1.15 6.28 0.78 4.85 2.47 0.09 -1.37 114.94 126.90 2vur s ASN 429 Ca 0.12 -0.49 -0.04 0.00 0.42 0.00 0.00 52.86 52.88 2vur s ASN 429 Cb -0.10 -2.29 0.08 0.00 -1.45 0.00 0.00 41.25 37.49 2vur s ASN 429 CO 0.02 -0.73 0.47 -0.81 -3.72 0.00 0.00 177.10 172.34 2vur n PRO 430 N 6.06 -0.13 -2.78 0.43 -0.04 -1.26 -0.21 135.00 137.07 2vur n PRO 430 Ca -0.04 -0.96 -0.24 0.00 -0.04 0.00 0.00 63.50 62.23 2vur n PRO 430 Cb 0.47 -0.42 0.02 0.00 -0.04 0.00 0.00 33.50 33.53 2vur n PRO 430 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2vur s MET 431 N -3.85 3.01 0.65 0.54 -1.94 -1.26 -3.55 119.30 112.90 2vur s MET 431 Ca 0.29 -0.34 0.43 0.00 -1.71 0.00 0.00 55.69 54.36 2vur s MET 431 Cb -0.01 -2.47 2.31 0.00 2.01 0.00 0.00 34.83 36.68 2vur s MET 431 CO 0.20 -0.42 2.33 1.05 -0.01 0.00 0.00 175.02 178.17 2vur h GLU 432 N 0.21 0.00 -5.80 2.03 4.11 -1.85 -3.37 114.58 109.91 2vur h GLU 432 Ca -0.46 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.37 2vur h GLU 432 Cb 1.25 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.38 2vur h GLU 432 CO 0.58 0.00 0.95 -1.01 0.07 0.00 0.00 179.01 179.60 2vur s HIS 433 N -4.12 2.59 0.12 2.06 3.76 -1.26 -4.75 115.29 113.69 2vur s HIS 433 Ca -0.04 -0.59 -0.14 0.00 -0.15 0.00 0.00 55.06 54.14 2vur s HIS 433 Cb 0.13 -4.48 -0.03 0.00 1.11 0.00 0.00 32.58 29.30 2vur s HIS 433 CO 0.43 -1.82 1.52 0.00 -0.85 0.00 0.00 174.74 174.02 2vur h ALA 434 N 9.65 0.53 0.11 -1.40 0.00 -1.97 -2.37 119.26 123.80 2vur h ALA 434 Ca -0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2vur h ALA 434 Cb 1.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2vur h ALA 434 CO 1.25 0.40 -0.05 1.49 0.00 0.00 0.00 179.25 182.34 2vur h GLU 435 N 0.55 -0.14 0.00 0.00 4.57 -1.90 -3.10 114.58 114.57 2vur h GLU 435 Ca 0.10 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2vur h GLU 435 Cb 0.62 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 2vur h GLU 435 CO 0.04 0.08 0.00 -0.07 -1.18 0.00 0.00 179.01 177.88 2vur h LEU 436 N -0.35 0.00 -2.35 1.64 4.07 -1.90 -2.43 115.31 113.99 2vur h LEU 436 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 2vur h LEU 436 Cb 0.29 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.03 2vur h LEU 436 CO 0.02 0.00 -0.02 0.28 -1.08 0.00 0.00 178.44 177.64 2vur h SER 437 N 0.00 0.00 0.27 -0.43 0.02 -1.34 -2.97 113.55 109.10 2vur h SER 437 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2vur h SER 437 Cb 0.59 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 2vur h SER 437 CO 0.00 0.02 -0.19 0.11 -1.14 0.00 0.00 176.83 175.63 2vur h LYS 438 N 0.00 0.00 0.72 3.45 1.57 -1.52 -0.72 116.57 120.07 2vur h LYS 438 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2vur h LYS 438 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.52 2vur h LYS 438 CO 0.00 0.19 -0.35 0.82 -0.57 0.00 0.00 179.45 179.55 2vur h ILE 439 N 0.00 0.27 -0.36 1.86 2.04 -1.74 0.13 117.51 119.71 2vur h ILE 439 Ca -0.00 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 2vur h ILE 439 Cb 0.38 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2vur h ILE 439 CO 0.02 0.01 0.04 -1.28 0.00 0.00 0.00 178.15 176.94 2vur h SER 440 N -1.00 0.59 -0.89 1.72 0.87 -1.67 -2.72 113.55 110.45 2vur h SER 440 Ca -0.10 -0.27 0.10 0.00 -1.23 0.00 0.00 61.79 60.29 2vur h SER 440 Cb 0.75 -0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.49 2vur h SER 440 CO 0.16 0.72 0.58 0.40 -0.53 0.00 0.00 176.83 178.15 2vur h ILE 441 N 0.44 0.95 -0.74 2.23 2.04 -1.11 -1.56 117.51 119.75 2vur h ILE 441 Ca 0.11 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.74 2vur h ILE 441 Cb 0.39 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.42 2vur h ILE 441 CO 0.01 0.16 0.43 -0.74 0.00 0.00 0.00 178.15 178.00 2vur h HIS 442 N 0.86 0.79 0.01 1.37 2.76 -0.42 -2.05 115.15 118.46 2vur h HIS 442 Ca 0.42 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.43 2vur h HIS 442 Cb 0.46 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 2vur h HIS 442 CO -0.00 0.37 -0.87 1.79 -1.30 0.00 0.00 177.93 177.93 2vur h THR 443 N 0.78 1.54 -0.50 6.26 1.35 -1.17 -2.79 112.91 118.38 2vur h THR 443 Ca 0.33 -2.73 0.01 0.00 -0.55 0.00 0.00 66.41 63.47 2vur h THR 443 Cb 0.21 2.51 -0.03 0.00 -1.73 0.00 0.00 68.15 69.11 2vur h THR 443 CO -0.19 0.79 0.33 0.00 -0.25 0.00 0.00 175.52 176.20 2vur h ALA 444 N 1.05 1.67 -0.50 6.62 0.00 -1.05 -0.16 119.26 126.89 2vur h ALA 444 Ca -0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2vur h ALA 444 Cb 1.50 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2vur h ALA 444 CO 0.12 0.30 0.11 0.00 0.00 0.00 0.00 179.25 179.79 2vur h ALA 445 N 1.69 0.66 -0.05 0.00 0.00 -1.10 -1.58 119.26 118.88 2vur h ALA 445 Ca 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2vur h ALA 445 Cb -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2vur h ALA 445 CO -0.04 0.36 -0.01 0.22 0.00 0.00 0.00 179.25 179.77 2vur h ASP 446 N 0.69 0.10 -0.42 0.00 3.58 -1.40 -2.43 116.42 116.54 2vur h ASP 446 Ca 0.16 -0.37 0.07 0.00 0.42 0.00 0.00 57.03 57.30 2vur h ASP 446 Cb 0.34 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.31 2vur h ASP 446 CO 0.00 0.45 0.08 0.22 -2.88 0.00 0.00 179.24 177.12 2vur h TYR 447 N -0.25 0.13 0.00 0.28 3.20 -1.00 0.16 116.97 119.50 2vur h TYR 447 Ca 0.01 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.76 2vur h TYR 447 Cb 0.41 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 2vur h TYR 447 CO 0.05 0.01 -0.72 0.66 -1.64 0.00 0.00 178.16 176.52 2vur h SER 448 N 0.21 0.00 0.06 -2.11 4.64 -1.35 -2.86 113.55 112.14 2vur h SER 448 Ca 0.20 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.31 2vur h SER 448 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2vur h SER 448 CO -0.27 0.68 -1.12 -0.25 -0.87 0.00 0.00 176.83 175.01 2vur h TRP 449 N 0.00 0.24 -2.66 4.77 2.91 -1.38 -0.79 115.95 119.05 2vur h TRP 449 Ca -0.02 -0.18 -0.61 0.00 1.13 0.00 0.00 58.89 59.22 2vur h TRP 449 Cb 1.53 -0.01 -0.41 0.00 -0.51 0.00 0.00 29.16 29.76 2vur h TRP 449 CO 0.00 1.44 -0.69 -1.71 -1.03 0.00 0.00 178.44 176.44 2vur n ASN 450 N -4.18 2.32 -0.03 2.65 2.85 0.57 0.36 115.26 119.79 2vur n ASN 450 Ca -0.24 -3.07 -0.16 0.00 -0.11 0.00 0.00 54.58 51.00 2vur n ASN 450 Cb 0.77 -0.69 -0.08 0.00 1.24 0.00 0.00 39.78 41.02 2vur n ASN 450 CO 0.00 0.00 0.00 -0.03 -2.11 0.00 0.00 177.26 175.12 2vur h MET 451 N 5.04 0.58 0.00 1.20 1.85 -1.66 -3.08 114.93 118.85 2vur h MET 451 Ca 0.18 -0.45 -0.03 0.00 -0.61 0.00 0.00 59.70 58.79 2vur h MET 451 Cb 0.77 0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.88 2vur h MET 451 CO 0.66 1.07 -0.15 0.22 -0.40 0.00 0.00 176.91 178.32 2vur h ASP 452 N 0.21 0.00 -0.24 1.39 3.58 -1.86 -2.58 116.42 116.92 2vur h ASP 452 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2vur h ASP 452 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2vur h ASP 452 CO 0.11 0.15 0.00 0.59 -2.88 0.00 0.00 179.24 177.20 2vur n ASN 453 N -4.15 3.28 -4.69 2.28 3.02 -1.21 -4.98 115.26 108.80 2vur n ASN 453 Ca -0.02 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.11 2vur n ASN 453 Cb 0.22 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 2vur n ASN 453 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2vur s TYR 454 N -1.69 2.24 -0.22 3.10 5.04 -0.97 -4.99 117.35 119.86 2vur s TYR 454 Ca 0.34 0.03 -0.01 0.00 -2.44 0.00 0.00 57.07 55.00 2vur s TYR 454 Cb 0.22 -4.17 0.06 0.00 0.35 0.00 0.00 41.96 38.42 2vur s TYR 454 CO 0.31 -4.77 -0.02 0.34 -1.34 0.00 0.00 175.55 170.07 2vur s ASP 455 N 2.53 3.54 0.28 4.32 3.68 -1.26 -5.03 116.67 124.72 2vur s ASP 455 Ca 0.80 -1.08 -0.00 0.00 2.13 0.00 0.00 52.55 54.40 2vur s ASP 455 Cb -0.46 -0.97 0.40 0.00 -1.45 0.00 0.00 42.92 40.43 2vur s ASP 455 CO 0.36 -0.27 1.79 0.10 0.13 0.00 0.00 175.17 177.28 2vur h TYR 456 N 8.05 0.76 -0.42 -5.34 -0.00 -1.94 0.77 116.97 118.86 2vur h TYR 456 Ca -0.17 -0.10 -0.10 0.00 0.00 0.00 0.00 58.73 58.36 2vur h TYR 456 Cb 1.09 -0.21 -0.01 0.00 0.00 0.00 0.00 36.73 37.59 2vur h TYR 456 CO 0.42 0.72 -0.12 0.22 -0.00 0.00 0.00 178.16 179.40 2vur h ASP 457 N 0.68 0.84 0.21 0.10 3.58 -1.96 -1.17 116.42 118.71 2vur h ASP 457 Ca 0.14 -0.37 -0.17 0.00 0.42 0.00 0.00 57.03 57.04 2vur h ASP 457 Cb 0.42 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2vur h ASP 457 CO 0.02 1.01 -0.66 0.11 -2.88 0.00 0.00 179.24 176.84 2vur h LYS 458 N 0.65 0.42 -0.39 0.28 1.57 -1.87 -2.51 116.57 114.72 2vur h LYS 458 Ca 0.11 -0.31 -0.13 0.00 -1.87 0.00 0.00 60.65 58.44 2vur h LYS 458 Cb 0.66 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2vur h LYS 458 CO 0.05 0.94 -0.29 0.00 -0.57 0.00 0.00 179.45 179.57 2vur h ALA 459 N 0.98 0.74 0.06 3.86 0.00 -0.86 -1.39 119.26 122.65 2vur h ALA 459 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2vur h ALA 459 Cb 1.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2vur h ALA 459 CO 0.12 0.66 -0.06 2.35 0.00 0.00 0.00 179.25 182.32 2vur h TRP 460 N 0.72 -0.14 -0.22 0.00 7.01 -1.16 -0.28 115.95 121.88 2vur h TRP 460 Ca 0.08 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.09 2vur h TRP 460 Cb 0.84 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.94 2vur h TRP 460 CO 0.05 -0.09 0.12 -0.91 -2.79 0.00 0.00 178.44 174.81 2vur h ASN 461 N -0.13 0.18 -0.47 2.65 2.35 -1.42 -2.59 115.58 116.16 2vur h ASN 461 Ca 0.00 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.83 2vur h ASN 461 Cb 0.12 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.41 2vur h ASN 461 CO -0.02 0.14 0.15 0.03 -1.65 0.00 0.00 177.43 176.08 2vur h ARG 462 N 0.24 0.31 -0.16 0.81 3.08 -1.16 0.12 114.38 117.61 2vur h ARG 462 Ca 0.09 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.16 2vur h ARG 462 Cb 0.01 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 2vur h ARG 462 CO -0.05 0.20 -0.15 0.00 -1.07 0.00 0.00 179.97 178.91 2vur h ALA 463 N 1.33 -0.03 -0.45 0.04 0.00 -0.84 0.19 119.26 119.49 2vur h ALA 463 Ca 0.23 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 2vur h ALA 463 Cb 0.25 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2vur h ALA 463 CO -0.25 -0.59 -0.18 0.82 0.00 0.00 0.00 179.25 179.06 2vur h ILE 464 N -0.16 1.27 -0.08 0.00 2.04 -1.34 -0.30 117.51 118.93 2vur h ILE 464 Ca 0.10 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.66 2vur h ILE 464 Cb 0.32 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2vur h ILE 464 CO -0.26 0.44 0.05 0.44 0.00 0.00 0.00 178.15 178.83 2vur h ASP 465 N 0.76 0.10 0.55 1.72 3.32 -0.47 0.12 116.42 122.52 2vur h ASP 465 Ca 0.11 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 2vur h ASP 465 Cb 0.71 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 2vur h ASP 465 CO 0.05 0.07 -0.57 0.24 -1.72 0.00 0.00 179.24 177.31 2vur h MET 466 N 0.11 0.02 0.05 3.56 2.86 -0.57 -2.99 114.93 117.97 2vur h MET 466 Ca 0.03 -0.01 -0.30 0.00 -2.06 0.00 0.00 59.70 57.36 2vur h MET 466 Cb -0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 2vur h MET 466 CO -0.01 0.58 -1.62 -0.07 1.06 0.00 0.00 176.91 176.86 2vur h LEU 467 N 0.01 0.16 -0.35 1.22 3.38 -0.86 -3.41 115.31 115.47 2vur h LEU 467 Ca -0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2vur h LEU 467 Cb 1.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2vur h LEU 467 CO 0.08 1.25 -0.46 -1.22 0.09 0.00 0.00 178.44 178.18 2vur n TYR 468 N -3.25 0.00 0.00 1.13 4.02 0.42 -5.05 117.16 114.43 2vur n TYR 468 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 2vur n TYR 468 Cb 1.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.35 2vur n TYR 468 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2vur n GLY 469 N 1.18 3.59 0.27 2.72 0.00 -1.13 -1.18 105.19 110.64 2vur n GLY 469 Ca 0.04 0.17 0.18 0.00 0.00 0.00 0.00 46.02 46.41 2vur n GLY 469 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vur h ASP 470 N 0.00 0.00 -0.26 1.61 3.45 -1.96 -2.17 116.42 117.09 2vur h ASP 470 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2vur h ASP 470 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2vur h ASP 470 CO 0.00 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.85 2vur n LEU 471 N -2.83 3.29 -0.28 1.55 4.77 -0.33 -4.54 117.00 118.64 2vur n LEU 471 Ca -0.01 -1.31 0.01 0.00 -0.03 0.00 0.00 56.01 54.67 2vur n LEU 471 Cb 0.14 -0.16 0.14 0.00 -2.33 0.00 0.00 43.42 41.22 2vur n LEU 471 CO 0.20 0.66 1.13 0.00 -1.33 0.00 0.00 177.39 178.05 2vur h ALA 472 N 4.59 1.09 -0.35 -1.18 0.00 -1.41 0.57 119.26 122.56 2vur h ALA 472 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2vur h ALA 472 Cb 0.99 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2vur h ALA 472 CO 0.00 0.11 -0.11 0.93 0.00 0.00 0.00 179.25 180.18 2vur h GLU 473 N 0.79 0.70 -0.33 0.00 4.39 -1.82 0.91 114.58 119.21 2vur h GLU 473 Ca 0.36 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 2vur h GLU 473 Cb 0.28 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2vur h GLU 473 CO -0.22 0.87 -0.00 -0.44 -1.16 0.00 0.00 179.01 178.06 2vur h ASP 474 N 0.49 0.57 -0.82 1.42 3.32 -1.83 -2.89 116.42 116.68 2vur h ASP 474 Ca 0.09 -0.31 0.10 0.00 0.02 0.00 0.00 57.03 56.92 2vur h ASP 474 Cb 0.63 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 2vur h ASP 474 CO 0.04 0.74 0.53 -0.03 -1.72 0.00 0.00 179.24 178.81 2vur h MET 475 N 0.38 0.75 -0.73 3.56 4.05 -0.73 -1.72 114.93 120.48 2vur h MET 475 Ca 0.09 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 2vur h MET 475 Cb 0.45 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 2vur h MET 475 CO 0.02 0.50 0.21 0.87 0.23 0.00 0.00 176.91 178.74 2vur h LYS 476 N 0.77 1.13 -0.53 0.39 1.57 -0.67 0.98 116.57 120.20 2vur h LYS 476 Ca 0.38 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 2vur h LYS 476 Cb 0.44 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 2vur h LYS 476 CO -0.15 0.97 0.29 0.28 -0.57 0.00 0.00 179.45 180.27 2vur h VAL 477 N 1.08 0.98 0.15 0.50 2.07 -1.12 -0.08 116.25 119.83 2vur h VAL 477 Ca 0.23 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2vur h VAL 477 Cb 0.32 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2vur h VAL 477 CO -0.01 0.10 -0.07 0.15 0.02 0.00 0.00 177.57 177.76 2vur h PHE 478 N 0.56 -0.19 -0.11 1.57 3.57 -1.34 -3.31 116.94 117.69 2vur h PHE 478 Ca 0.23 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 2vur h PHE 478 Cb 0.11 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2vur h PHE 478 CO -0.09 0.27 -0.06 0.00 -2.23 0.00 0.00 178.31 176.20 2vur h ALA 479 N -0.23 1.70 -0.60 2.41 0.00 -0.75 -1.81 119.26 119.98 2vur h ALA 479 Ca -0.02 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 54.94 2vur h ALA 479 Cb 0.53 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2vur h ALA 479 CO 0.03 0.23 0.47 -0.97 0.00 0.00 0.00 179.25 179.01 2vur h ASN 480 N 0.16 0.00 -0.11 0.00 -1.24 -1.09 0.13 115.58 113.43 2vur h ASN 480 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2vur h ASN 480 Cb 0.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.27 2vur h ASN 480 CO 0.01 0.00 0.00 1.41 -1.29 0.00 0.00 177.43 177.56 2vur n HIS 481 N -4.19 0.13 -2.70 0.67 8.25 -0.68 0.03 115.22 116.73 2vur n HIS 481 Ca 0.12 -0.07 -0.11 0.00 -0.26 0.00 0.00 57.72 57.40 2vur n HIS 481 Cb 0.71 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.84 2vur n HIS 481 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2vur n SER 482 N 0.24 1.66 -0.07 0.41 2.88 0.03 -1.44 113.62 117.34 2vur n SER 482 Ca 0.17 -2.83 -0.07 0.00 -1.33 0.00 0.00 58.87 54.81 2vur n SER 482 Cb 0.33 -0.53 -0.10 0.00 -0.75 0.00 0.00 64.21 63.16 2vur n SER 482 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2vur n THR 483 N -0.06 0.91 -3.11 2.46 -2.24 -1.25 -1.14 114.28 109.86 2vur n THR 483 Ca 0.13 -0.53 -0.40 0.00 -2.27 0.00 0.00 64.05 60.98 2vur n THR 483 Cb 0.79 -0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 2vur n THR 483 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2vur s ARG 484 N -2.32 4.13 -0.11 -0.78 6.06 -0.88 -4.19 118.95 120.87 2vur s ARG 484 Ca -0.09 0.56 -0.10 0.00 -2.50 0.00 0.00 55.73 53.60 2vur s ARG 484 Cb 0.04 -3.63 -0.05 0.00 0.06 0.00 0.00 34.95 31.37 2vur s ARG 484 CO 0.51 -0.38 0.22 -1.64 -2.50 0.00 0.00 175.30 171.52 2vur s MET 485 N 2.38 3.76 -0.30 5.12 -1.94 0.44 -4.93 119.30 123.83 2vur s MET 485 Ca 0.27 0.01 -0.07 0.00 -1.71 0.00 0.00 55.69 54.19 2vur s MET 485 Cb -0.16 -3.26 0.18 0.00 2.01 0.00 0.00 34.83 33.61 2vur s MET 485 CO 0.09 0.62 0.81 0.34 -0.01 0.00 0.00 175.02 176.87 2vur s ASP 486 N -0.64 -0.95 0.00 3.03 -1.08 -1.26 -1.69 116.67 114.08 2vur s ASP 486 Ca 0.16 0.60 0.12 0.00 -0.52 0.00 0.00 52.55 52.91 2vur s ASP 486 Cb -0.13 1.80 0.39 0.00 -1.46 0.00 0.00 42.92 43.52 2vur s ASP 486 CO 0.05 -0.18 1.30 -0.46 0.52 0.00 0.00 175.17 176.41 2vur n ASN 487 N 5.45 1.55 0.00 -0.34 6.94 0.01 -4.90 115.26 123.97 2vur n ASN 487 Ca -0.04 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.60 2vur n ASN 487 Cb 0.52 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 2vur n ASN 487 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2vur n LYS 488 N 0.32 0.00 0.00 -3.83 4.76 -1.26 -4.83 118.16 113.31 2vur n LYS 488 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2vur n LYS 488 Cb 0.26 -1.86 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 2vur n LYS 488 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2vur n THR 489 N -2.00 0.00 0.89 -0.18 -2.24 -1.26 -5.01 114.28 104.48 2vur n THR 489 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 2vur n THR 489 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 2vur n THR 489 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2vur n TRP 490 N 0.00 0.05 -4.09 4.78 4.27 -1.26 -4.87 117.44 116.33 2vur n TRP 490 Ca 0.00 0.02 -0.33 0.00 -3.89 0.00 0.00 57.50 53.30 2vur n TRP 490 Cb 0.00 -0.19 -0.16 0.00 -1.36 0.00 0.00 31.31 29.60 2vur n TRP 490 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2vur s ALA 491 N -3.05 2.45 -0.18 -1.67 0.00 -1.26 -4.67 121.76 113.38 2vur s ALA 491 Ca 0.08 -1.43 -0.15 0.00 0.00 0.00 0.00 51.96 50.46 2vur s ALA 491 Cb 0.16 -1.37 0.05 0.00 0.00 0.00 0.00 23.12 21.97 2vur s ALA 491 CO 0.79 -0.68 0.47 -1.59 0.00 0.00 0.00 175.76 174.76 2vur s LYS 492 N 1.23 0.53 -0.16 0.00 -2.85 -1.17 -0.81 119.74 116.51 2vur s LYS 492 Ca -0.00 0.71 -0.30 0.00 -1.00 0.00 0.00 55.97 55.38 2vur s LYS 492 Cb -0.16 0.20 0.13 0.00 -2.06 0.00 0.00 37.83 35.95 2vur s LYS 492 CO -0.09 -0.09 1.04 0.45 0.10 0.00 0.00 175.35 176.76 2vur s SER 493 N 0.56 -0.31 0.00 0.03 0.15 -0.68 -2.13 113.70 111.32 2vur s SER 493 Ca -0.03 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2vur s SER 493 Cb -0.04 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2vur s SER 493 CO -0.03 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2vur n GLY 494 N 0.51 2.99 3.74 9.45 0.00 -1.26 -0.42 105.19 120.20 2vur n GLY 494 Ca -0.08 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 2vur n GLY 494 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2vur n ARG 495 N -0.78 2.51 -1.66 1.61 0.63 -1.26 -4.77 116.66 112.94 2vur n ARG 495 Ca 0.00 0.89 -0.41 0.00 -0.92 0.00 0.00 57.85 57.40 2vur n ARG 495 Cb 0.00 -2.59 0.01 0.00 0.45 0.00 0.00 32.46 30.32 2vur n ARG 495 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2vur n GLU 496 N 1.13 1.70 -1.81 -0.14 -0.58 -1.26 -2.06 120.64 117.62 2vur n GLU 496 Ca 0.05 0.61 -0.39 0.00 -0.42 0.00 0.00 57.16 57.01 2vur n GLU 496 Cb 0.37 -2.22 0.03 0.00 -0.57 0.00 0.00 31.44 29.05 2vur n GLU 496 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2vur s ASP 497 N -0.59 5.63 -0.28 1.62 1.01 -1.26 -4.29 116.67 118.52 2vur s ASP 497 Ca 0.61 2.83 -0.05 0.00 0.71 0.00 0.00 52.55 56.65 2vur s ASP 497 Cb -0.55 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 40.75 2vur s ASP 497 CO 0.58 -1.33 0.17 0.00 0.21 0.00 0.00 175.17 174.80 2vur n ALA 498 N -0.56 -1.45 0.14 5.23 0.00 0.10 -4.79 120.51 119.18 2vur n ALA 498 Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.41 2vur n ALA 498 Cb 0.43 -0.45 0.38 0.00 0.00 0.00 0.00 19.45 19.81 2vur n ALA 498 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2vur h PRO 499 N 1.16 0.17 0.04 0.00 0.13 -1.86 -1.17 132.00 130.47 2vur h PRO 499 Ca -0.18 -0.05 -0.22 0.00 -0.87 0.00 0.00 66.00 64.68 2vur h PRO 499 Cb 0.37 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.47 2vur h PRO 499 CO 0.12 0.38 -1.04 1.05 -0.23 0.00 0.00 178.00 178.28 2vur h GLU 500 N 0.16 0.10 -0.26 0.86 9.09 -1.97 -1.73 114.58 120.83 2vur h GLU 500 Ca 0.03 -0.15 -0.02 0.00 0.05 0.00 0.00 59.36 59.26 2vur h GLU 500 Cb 0.47 0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.61 2vur h GLU 500 CO 0.03 1.04 0.07 1.25 0.05 0.00 0.00 179.01 181.46 2vur h LEU 501 N 0.03 0.38 -0.79 3.06 5.85 -1.86 -2.00 115.31 120.00 2vur h LEU 501 Ca -0.05 -0.22 0.13 0.00 0.84 0.00 0.00 57.88 58.59 2vur h LEU 501 Cb 1.78 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 42.62 2vur h LEU 501 CO 0.15 0.50 0.37 -0.09 -0.34 0.00 0.00 178.44 179.03 2vur h ARG 502 N 0.25 0.54 -0.37 1.25 9.65 -1.17 -0.66 114.38 123.87 2vur h ARG 502 Ca 0.08 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.85 2vur h ARG 502 Cb 0.26 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 2vur h ARG 502 CO -0.00 0.36 -0.11 0.00 2.80 0.00 0.00 179.97 183.02 2vur h ALA 503 N 1.52 1.12 -0.49 2.80 0.00 -1.14 -1.64 119.26 121.44 2vur h ALA 503 Ca 0.42 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2vur h ALA 503 Cb 0.58 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2vur h ALA 503 CO -0.35 0.55 0.09 0.87 0.00 0.00 0.00 179.25 180.41 2vur h LYS 504 N 0.59 0.81 -0.47 0.00 1.57 -0.59 -1.80 116.57 116.69 2vur h LYS 504 Ca 0.11 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2vur h LYS 504 Cb 0.53 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 2vur h LYS 504 CO 0.03 0.80 0.29 0.52 -0.57 0.00 0.00 179.45 180.53 2vur h MET 505 N 0.69 0.57 -0.83 3.15 2.86 -0.98 -1.58 114.93 118.80 2vur h MET 505 Ca 0.15 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2vur h MET 505 Cb 0.38 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 2vur h MET 505 CO 0.01 0.38 0.55 -0.44 1.06 0.00 0.00 176.91 178.46 2vur h ASP 506 N 0.59 0.93 0.27 1.22 3.32 -1.13 -2.31 116.42 119.31 2vur h ASP 506 Ca 0.18 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 2vur h ASP 506 Cb -0.03 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2vur h ASP 506 CO -0.06 0.66 -0.38 -0.08 -1.72 0.00 0.00 179.24 177.66 2vur h GLU 507 N 1.09 0.16 -0.05 3.56 4.57 -1.04 -1.74 114.58 121.14 2vur h GLU 507 Ca 0.32 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.43 2vur h GLU 507 Cb -0.08 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 2vur h GLU 507 CO -0.09 0.53 -0.01 1.25 -1.18 0.00 0.00 179.01 179.51 2vur h LEU 508 N 0.14 -0.04 -0.75 1.64 5.85 -0.75 0.16 115.31 121.56 2vur h LEU 508 Ca 0.01 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2vur h LEU 508 Cb 0.74 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2vur h LEU 508 CO 0.06 -0.01 0.31 -0.50 -0.34 0.00 0.00 178.44 177.95 2vur h TRP 509 N 0.00 1.14 -0.20 1.25 -0.00 -1.34 0.15 115.95 116.94 2vur h TRP 509 Ca 0.02 -0.08 0.01 0.00 -0.00 0.00 0.00 58.89 58.84 2vur h TRP 509 Cb 0.03 -0.34 -0.02 0.00 -0.00 0.00 0.00 29.16 28.83 2vur h TRP 509 CO -0.11 0.86 0.10 -0.91 -0.00 0.00 0.00 178.44 178.38 2vur h ASN 510 N 1.08 0.14 -0.20 -3.49 2.35 -1.12 -0.46 115.58 113.88 2vur h ASN 510 Ca 0.25 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.98 2vur h ASN 510 Cb 0.20 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2vur h ASN 510 CO -0.02 0.11 -0.01 0.11 -1.65 0.00 0.00 177.43 175.97 2vur h LYS 511 N 0.21 0.35 -0.65 0.81 1.57 -0.55 -2.47 116.57 115.84 2vur h LYS 511 Ca 0.08 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2vur h LYS 511 Cb 0.02 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2vur h LYS 511 CO -0.06 0.57 0.33 -0.07 -0.57 0.00 0.00 179.45 179.66 2vur h LEU 512 N 0.10 0.82 -0.52 2.94 3.38 -0.64 0.15 115.31 121.55 2vur h LEU 512 Ca 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2vur h LEU 512 Cb 0.42 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2vur h LEU 512 CO 0.01 0.70 0.00 0.77 0.09 0.00 0.00 178.44 180.01 2vur h SER 513 N 0.88 0.00 -0.09 -0.43 4.64 -1.09 -1.99 113.55 115.47 2vur h SER 513 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2vur h SER 513 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2vur h SER 513 CO -0.03 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.73 2vur n SER 514 N -3.06 1.85 -2.15 4.97 7.64 -0.93 -4.96 113.62 116.97 2vur n SER 514 Ca 0.03 -1.65 -0.19 0.00 1.01 0.00 0.00 58.87 58.07 2vur n SER 514 Cb 0.44 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 2vur n SER 514 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2vur n LYS 515 N 0.44 -1.51 -3.34 1.43 5.02 -0.75 -5.01 118.16 114.44 2vur n LYS 515 Ca 0.18 0.92 -0.27 0.00 -2.02 0.00 0.00 58.31 57.11 2vur n LYS 515 Cb 0.39 -5.47 -0.03 0.00 -0.02 0.00 0.00 35.03 29.90 2vur n LYS 515 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2vur s GLU 516 N -4.93 3.58 -0.01 1.97 2.02 0.46 -5.02 118.70 116.76 2vur s GLU 516 Ca 0.00 -0.09 -0.30 0.00 0.02 0.00 0.00 54.97 54.60 2vur s GLU 516 Cb 0.00 -2.65 -0.06 0.00 0.10 0.00 0.00 34.13 31.51 2vur s GLU 516 CO 0.00 0.20 1.59 0.34 0.02 0.00 0.00 175.26 177.40 2vur s ASP 517 N -3.40 6.70 -0.13 -0.19 3.68 -1.26 -4.46 116.67 117.60 2vur s ASP 517 Ca 0.43 2.26 0.18 0.00 2.13 0.00 0.00 52.55 57.55 2vur s ASP 517 Cb -0.10 -2.55 0.32 0.00 -1.45 0.00 0.00 42.92 39.14 2vur s ASP 517 CO 0.32 -0.87 1.19 0.00 0.13 0.00 0.00 175.17 175.94 2vur n ALA 518 N 6.32 2.37 -0.05 3.66 0.00 -1.26 -4.83 120.51 126.73 2vur n ALA 518 Ca 0.16 -2.53 -0.08 0.00 0.00 0.00 0.00 53.44 50.98 2vur n ALA 518 Cb 0.42 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2vur n ALA 518 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2vur h SER 519 N 0.30 -0.25 -0.38 0.00 0.02 -1.99 0.28 113.55 111.53 2vur h SER 519 Ca 0.00 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.92 2vur h SER 519 Cb 1.06 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 2vur h SER 519 CO 0.04 -0.10 -0.13 0.00 -1.14 0.00 0.00 176.83 175.50 2vur h ALA 520 N 1.18 0.92 -0.31 3.77 0.00 -1.99 -1.51 119.26 121.32 2vur h ALA 520 Ca 0.11 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2vur h ALA 520 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2vur h ALA 520 CO -0.24 0.62 -0.19 1.25 0.00 0.00 0.00 179.25 180.69 2vur h LEU 521 N 0.75 0.71 -0.26 0.00 5.85 -1.81 -0.08 115.31 120.47 2vur h LEU 521 Ca 0.12 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.47 2vur h LEU 521 Cb 0.63 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 2vur h LEU 521 CO 0.04 0.98 -0.10 0.40 -0.34 0.00 0.00 178.44 179.42 2vur h ILE 522 N 0.44 0.65 -0.17 4.05 2.04 -0.28 0.51 117.51 124.76 2vur h ILE 522 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 2vur h ILE 522 Cb 0.74 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2vur h ILE 522 CO 0.05 0.00 -0.05 -0.33 0.00 0.00 0.00 178.15 177.83 2vur h GLU 523 N -0.06 -0.01 -0.65 2.37 5.08 -1.19 -1.10 114.58 119.02 2vur h GLU 523 Ca 0.13 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.59 2vur h GLU 523 Cb 0.26 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 2vur h GLU 523 CO -0.30 -0.01 0.29 1.49 -1.00 0.00 0.00 179.01 179.48 2vur h GLU 524 N -0.01 0.48 -0.24 2.33 4.81 -0.62 -1.37 114.58 119.95 2vur h GLU 524 Ca 0.08 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 2vur h GLU 524 Cb 0.13 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2vur h GLU 524 CO -0.18 0.32 -0.36 -0.07 -0.73 0.00 0.00 179.01 177.99 2vur h LEU 525 N 0.50 0.56 -0.30 1.64 3.38 -0.43 -1.55 115.31 119.10 2vur h LEU 525 Ca 0.32 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2vur h LEU 525 Cb 0.37 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2vur h LEU 525 CO -0.29 0.87 0.04 1.88 0.09 0.00 0.00 178.44 181.04 2vur h TYR 526 N 0.45 0.07 -0.65 1.13 0.99 -0.59 -0.81 116.97 117.57 2vur h TYR 526 Ca 0.05 0.02 0.13 0.00 2.00 0.00 0.00 58.73 60.93 2vur h TYR 526 Cb 0.84 0.02 -0.12 0.00 1.00 0.00 0.00 36.73 38.47 2vur h TYR 526 CO 0.03 -0.00 -0.08 0.78 -0.00 0.00 0.00 178.16 178.89 2vur h GLY 527 N 0.15 0.58 0.97 3.88 0.00 -0.76 -0.72 103.07 107.17 2vur h GLY 527 Ca 0.14 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 2vur h GLY 527 CO -0.21 -0.24 0.23 -2.09 0.00 0.00 0.00 176.54 174.24 2vur h GLU 528 N 0.05 0.60 -0.17 4.80 4.57 -0.65 -1.67 114.58 122.11 2vur h GLU 528 Ca 0.33 -0.07 -0.18 0.00 -1.18 0.00 0.00 59.36 58.26 2vur h GLU 528 Cb 0.52 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2vur h GLU 528 CO -0.62 0.48 -0.63 0.74 -1.18 0.00 0.00 179.01 177.81 2vur h PHE 529 N 0.56 0.77 -0.51 0.92 0.04 -0.93 -1.97 116.94 115.82 2vur h PHE 529 Ca 0.15 -0.30 -0.06 0.00 2.80 0.00 0.00 57.97 60.56 2vur h PHE 529 Cb 0.06 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 2vur h PHE 529 CO -0.02 1.06 0.08 0.00 -0.60 0.00 0.00 178.31 178.83 2vur h ALA 530 N 0.86 1.18 -0.13 2.45 0.00 -1.00 -2.74 119.26 119.88 2vur h ALA 530 Ca -0.01 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 2vur h ALA 530 Cb 1.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2vur h ALA 530 CO 0.12 0.55 -0.46 -0.09 0.00 0.00 0.00 179.25 179.37 2vur h ARG 531 N 0.76 0.33 -0.04 0.00 9.65 -0.97 -1.23 114.38 122.88 2vur h ARG 531 Ca 0.16 -0.17 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2vur h ARG 531 Cb 0.35 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.94 2vur h ARG 531 CO 0.01 0.72 0.02 0.52 2.80 0.00 0.00 179.97 184.04 2vur h MET 532 N 0.27 0.06 -0.24 0.20 2.86 -1.18 0.29 114.93 117.17 2vur h MET 532 Ca 0.02 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2vur h MET 532 Cb 0.91 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 2vur h MET 532 CO 0.08 0.16 0.14 1.49 1.06 0.00 0.00 176.91 179.83 2vur h GLU 533 N -0.06 0.28 -0.11 1.72 4.81 -1.31 -2.27 114.58 117.64 2vur h GLU 533 Ca 0.01 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2vur h GLU 533 Cb 0.12 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2vur h GLU 533 CO -0.00 0.19 0.07 1.49 -0.73 0.00 0.00 179.01 180.02 2vur h GLU 534 N 0.29 0.15 -0.50 1.92 4.81 -1.17 -0.03 114.58 120.04 2vur h GLU 534 Ca 0.09 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2vur h GLU 534 Cb -0.00 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2vur h GLU 534 CO -0.04 0.15 0.29 0.00 -0.73 0.00 0.00 179.01 178.68 2vur h ALA 535 N 1.00 0.64 -0.29 2.92 0.00 -0.93 -0.88 119.26 121.71 2vur h ALA 535 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2vur h ALA 535 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2vur h ALA 535 CO -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 179.25 179.25 2vur h ASN 537 N 0.31 0.23 -0.57 0.00 2.35 -0.83 -0.61 115.58 116.45 2vur h ASN 537 Ca 0.08 0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 2vur h ASN 537 Cb 0.40 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 2vur h ASN 537 CO 0.01 0.13 0.08 -1.13 -1.65 0.00 0.00 177.43 174.87 2vur h ASN 538 N 0.41 0.95 -0.57 5.81 -1.24 -0.61 -1.99 115.58 118.35 2vur h ASN 538 Ca 0.32 -0.22 -0.03 0.00 0.71 0.00 0.00 56.30 57.08 2vur h ASN 538 Cb 0.40 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 2vur h ASN 538 CO -0.32 0.96 0.24 -0.07 -1.29 0.00 0.00 177.43 176.96 2vur h LEU 539 N 0.93 0.77 -0.88 0.34 3.38 -0.66 -0.70 115.31 118.48 2vur h LEU 539 Ca 0.18 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2vur h LEU 539 Cb 0.43 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 2vur h LEU 539 CO 0.01 0.71 0.56 0.11 0.09 0.00 0.00 178.44 179.93 2vur h LYS 540 N 0.78 1.03 0.00 1.13 1.57 -0.81 -0.06 116.57 120.20 2vur h LYS 540 Ca 0.19 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2vur h LYS 540 Cb 0.17 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2vur h LYS 540 CO -0.02 0.68 -0.41 0.00 -0.57 0.00 0.00 179.45 179.13 2vur h ALA 541 N 1.39 0.74 0.00 3.86 0.00 -1.01 -3.41 119.26 120.82 2vur h ALA 541 Ca 0.37 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2vur h ALA 541 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2vur h ALA 541 CO -0.14 0.51 -0.25 0.09 0.00 0.00 0.00 179.25 179.46 2vur n ASN 542 N -3.21 1.24 -4.71 0.00 3.02 -0.30 -5.05 115.26 106.25 2vur n ASN 542 Ca 0.02 -0.13 -0.42 0.00 -0.03 0.00 0.00 54.58 54.02 2vur n ASN 542 Cb 0.69 0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 40.36 2vur n ASN 542 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2vur n LEU 543 N -0.63 3.72 -4.73 3.41 4.77 -0.05 -4.96 117.00 118.53 2vur n LEU 543 Ca 0.00 1.21 -0.37 0.00 -0.03 0.00 0.00 56.01 56.82 2vur n LEU 543 Cb 0.00 -1.50 0.07 0.00 -2.33 0.00 0.00 43.42 39.65 2vur n LEU 543 CO 0.00 -0.38 0.92 -2.84 -1.33 0.00 0.00 177.39 173.76 2vur s PRO 544 N -1.82 2.63 0.33 3.23 0.02 -1.26 -4.68 135.00 133.44 2vur s PRO 544 Ca 0.56 2.11 0.06 0.00 0.02 0.00 0.00 61.00 63.75 2vur s PRO 544 Cb -0.56 -1.91 0.73 0.00 0.02 0.00 0.00 34.50 32.78 2vur s PRO 544 CO 0.62 -1.55 1.85 1.49 -0.33 0.00 0.00 177.00 179.08 2vur h GLU 545 N 0.69 0.77 -0.76 5.54 4.81 -1.97 0.28 114.58 123.93 2vur h GLU 545 Ca -0.51 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 58.77 2vur h GLU 545 Cb 1.33 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 2vur h GLU 545 CO 0.54 0.51 0.50 -0.24 -0.73 0.00 0.00 179.01 179.58 2vur h VAL 546 N 0.79 0.93 0.00 0.32 3.04 -2.01 0.14 116.25 119.46 2vur h VAL 546 Ca 0.47 -0.22 -0.14 0.00 -1.01 0.00 0.00 66.70 65.79 2vur h VAL 546 Cb 0.66 0.21 -0.02 0.00 -2.01 0.00 0.00 31.29 30.13 2vur h VAL 546 CO -0.24 0.12 -0.78 0.00 -1.01 0.00 0.00 177.57 175.67 2vur h ALA 547 N 1.62 0.16 -0.78 3.17 0.00 -1.67 -3.40 119.26 118.37 2vur h ALA 547 Ca 0.35 -0.94 0.09 0.00 0.00 0.00 0.00 54.91 54.42 2vur h ALA 547 Cb 0.49 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 2vur h ALA 547 CO -0.13 0.43 0.42 1.25 0.00 0.00 0.00 179.25 181.23 2vur h LEU 548 N -1.00 0.59 -2.28 0.00 5.85 -0.73 -1.16 115.31 116.58 2vur h LEU 548 Ca -0.22 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.60 2vur h LEU 548 Cb 1.19 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2vur h LEU 548 CO -0.13 0.34 0.18 1.05 -0.34 0.00 0.00 178.44 179.54 2vur h GLU 549 N 0.72 0.00 0.00 1.25 4.11 -0.93 -1.68 114.58 118.05 2vur h GLU 549 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 2vur h GLU 549 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2vur h GLU 549 CO -0.25 0.00 -0.59 0.93 0.07 0.00 0.00 179.01 179.17 2vur h GLU 550 N 0.00 0.00 0.00 1.06 5.08 -1.41 -3.40 114.58 115.91 2vur h GLU 550 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2vur h GLU 550 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2vur h GLU 550 CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2vur h SER 552 N 0.00 0.72 -0.11 0.00 4.64 -1.56 -0.21 113.55 117.03 2vur h SER 552 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2vur h SER 552 Cb 0.85 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2vur h SER 552 CO 0.00 0.47 -0.53 0.03 -0.87 0.00 0.00 176.83 175.93 2vur h ARG 553 N 0.82 0.69 -0.03 4.77 3.08 -1.89 -2.06 114.38 119.76 2vur h ARG 553 Ca 0.31 -0.43 -0.16 0.00 0.07 0.00 0.00 59.98 59.78 2vur h ARG 553 Cb 0.19 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2vur h ARG 553 CO -0.10 1.05 -0.69 1.96 -1.07 0.00 0.00 179.97 181.12 2vur h GLN 554 N 0.54 0.15 0.26 0.04 7.50 -1.66 -0.70 115.11 121.24 2vur h GLN 554 Ca 0.02 -0.12 -0.01 0.00 0.50 0.00 0.00 58.65 59.04 2vur h GLN 554 Cb 1.10 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.65 2vur h GLN 554 CO 0.11 0.78 -0.17 -0.07 -1.50 0.00 0.00 178.83 177.97 2vur h LEU 555 N 0.10 -0.43 -1.01 1.46 4.07 -0.98 -1.03 115.31 117.49 2vur h LEU 555 Ca -0.01 0.03 0.08 0.00 0.08 0.00 0.00 57.88 58.05 2vur h LEU 555 Cb 1.22 0.13 -0.07 0.00 1.08 0.00 0.00 40.66 43.02 2vur h LEU 555 CO 0.10 -0.27 0.65 0.44 -1.08 0.00 0.00 178.44 178.27 2vur h ASP 556 N -0.43 1.01 -0.29 -0.43 5.19 -1.21 -2.34 116.42 117.92 2vur h ASP 556 Ca -0.02 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 2vur h ASP 556 Cb 0.36 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2vur h ASP 556 CO 0.02 0.62 -0.24 -0.08 -3.12 0.00 0.00 179.24 176.44 2vur h GLU 557 N 1.13 0.78 -0.08 3.56 4.81 -0.88 -2.00 114.58 121.91 2vur h GLU 557 Ca 0.45 -0.32 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 2vur h GLU 557 Cb 0.25 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2vur h GLU 557 CO -0.20 0.94 -0.43 1.25 -0.73 0.00 0.00 179.01 179.84 2vur h LEU 558 N 0.68 0.18 0.06 1.64 5.85 -0.88 -1.22 115.31 121.62 2vur h LEU 558 Ca 0.09 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2vur h LEU 558 Cb 0.76 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2vur h LEU 558 CO 0.06 0.60 -0.03 0.40 -0.34 0.00 0.00 178.44 179.13 2vur h ILE 559 N 0.15 1.00 -0.43 4.05 2.04 -1.34 0.91 117.51 123.89 2vur h ILE 559 Ca 0.01 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.74 2vur h ILE 559 Cb 0.83 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.98 2vur h ILE 559 CO 0.06 0.05 0.00 0.74 0.00 0.00 0.00 178.15 179.01 2vur h THR 560 N -0.18 0.67 -0.63 -0.27 2.02 -1.19 0.10 112.91 113.44 2vur h THR 560 Ca -0.01 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 2vur h THR 560 Cb 0.15 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2vur h THR 560 CO 0.01 0.02 0.10 -0.07 0.37 0.00 0.00 175.52 175.96 2vur h LEU 561 N 0.11 1.00 -0.82 2.58 3.38 -1.02 -0.82 115.31 119.72 2vur h LEU 561 Ca 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2vur h LEU 561 Cb 0.31 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2vur h LEU 561 CO -0.35 1.01 0.48 0.00 0.09 0.00 0.00 178.44 179.66 2vur h ALA 562 N 1.03 1.04 -0.24 1.53 0.00 -0.31 0.33 119.26 122.65 2vur h ALA 562 Ca 0.19 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2vur h ALA 562 Cb 0.43 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2vur h ALA 562 CO 0.01 0.52 -0.18 1.96 0.00 0.00 0.00 179.25 181.56 2vur h GLN 563 N 1.12 0.43 -0.31 0.00 4.20 -0.71 -1.12 115.11 118.73 2vur h GLN 563 Ca 0.29 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.72 2vur h GLN 563 Cb -0.02 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2vur h GLN 563 CO -0.05 0.60 -0.39 0.78 -0.67 0.00 0.00 178.83 179.10 2vur h GLY 564 N 0.95 0.80 1.12 3.46 0.00 -0.51 -2.18 103.07 106.72 2vur h GLY 564 Ca 0.07 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.52 2vur h GLY 564 CO 0.04 0.72 0.05 -0.55 0.00 0.00 0.00 176.54 176.80 2vur h ASP 565 N 0.60 1.03 0.07 0.19 3.32 -0.10 -0.25 116.42 121.28 2vur h ASP 565 Ca 0.05 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 2vur h ASP 565 Cb 0.93 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2vur h ASP 565 CO 0.08 1.05 -0.03 0.50 -1.72 0.00 0.00 179.24 179.12 2vur h LYS 566 N 0.98 -0.08 -0.36 3.56 3.11 -1.13 -2.51 116.57 120.14 2vur h LYS 566 Ca 0.19 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 58.09 2vur h LYS 566 Cb 0.49 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.72 2vur h LYS 566 CO 0.02 0.16 0.24 0.00 -2.81 0.00 0.00 179.45 177.06 2vur h ALA 567 N 0.59 2.07 -0.58 5.00 0.00 -1.33 -0.95 119.26 124.06 2vur h ALA 567 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2vur h ALA 567 Cb 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2vur h ALA 567 CO 0.01 -0.14 0.24 0.77 0.00 0.00 0.00 179.25 180.14 2vur h SER 568 N 0.21 0.79 -0.51 0.00 0.02 -0.74 -0.85 113.55 112.46 2vur h SER 568 Ca 0.16 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2vur h SER 568 Cb 0.36 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2vur h SER 568 CO -0.03 0.73 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.29 2vur h LEU 569 N 0.79 0.91 -0.79 5.07 3.38 -0.92 -2.49 115.31 121.27 2vur h LEU 569 Ca 0.19 -0.32 0.12 0.00 0.09 0.00 0.00 57.88 57.96 2vur h LEU 569 Cb 0.18 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 2vur h LEU 569 CO -0.02 1.01 0.40 0.44 0.09 0.00 0.00 178.44 180.36 2vur h ASP 570 N 0.78 0.50 -0.09 -0.43 3.32 -0.89 0.24 116.42 119.85 2vur h ASP 570 Ca 0.14 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.30 2vur h ASP 570 Cb 0.56 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 2vur h ASP 570 CO 0.03 0.25 -0.20 0.24 -1.72 0.00 0.00 179.24 177.85 2vur h MET 571 N 0.63 -0.26 -0.23 3.56 2.86 -0.87 0.38 114.93 121.01 2vur h MET 571 Ca 0.41 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 58.08 2vur h MET 571 Cb 0.50 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 2vur h MET 571 CO -0.31 -0.17 0.11 0.82 1.06 0.00 0.00 176.91 178.42 2vur h ILE 572 N -0.27 0.99 -0.61 -1.22 2.04 -0.94 -1.91 117.51 115.60 2vur h ILE 572 Ca 0.09 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2vur h ILE 572 Cb 0.39 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2vur h ILE 572 CO -0.25 0.04 0.29 0.58 0.00 0.00 0.00 178.15 178.81 2vur h VAL 573 N 0.24 1.22 -0.61 1.67 2.07 -0.83 -0.72 116.25 119.29 2vur h VAL 573 Ca 0.09 -0.62 0.10 0.00 0.82 0.00 0.00 66.70 67.09 2vur h VAL 573 Cb 0.03 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.22 2vur h VAL 573 CO -0.07 0.25 0.21 0.00 0.02 0.00 0.00 177.57 177.99 2vur h ALA 574 N 1.12 0.78 -0.70 1.67 0.00 -0.79 0.94 119.26 122.28 2vur h ALA 574 Ca 0.21 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 2vur h ALA 574 Cb 0.13 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2vur h ALA 574 CO -0.02 -0.21 0.22 1.96 0.00 0.00 0.00 179.25 181.20 2vur h GLN 575 N 0.38 1.08 -0.45 0.00 4.20 -0.67 0.33 115.11 120.00 2vur h GLN 575 Ca 0.31 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 2vur h GLN 575 Cb 0.40 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2vur h GLN 575 CO -0.32 0.93 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.66 2vur h LEU 576 N 1.02 0.73 -0.17 1.46 3.38 -0.67 -2.13 115.31 118.93 2vur h LEU 576 Ca 0.23 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2vur h LEU 576 Cb 0.30 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2vur h LEU 576 CO -0.01 0.82 -0.03 0.59 0.09 0.00 0.00 178.44 179.90 2vur n ASN 577 N -4.20 0.30 -3.75 -0.43 3.02 0.28 -4.94 115.26 105.54 2vur n ASN 577 Ca 0.02 -0.76 -0.33 0.00 -0.03 0.00 0.00 54.58 53.48 2vur n ASN 577 Cb 0.32 -0.08 0.04 0.00 -0.61 0.00 0.00 39.78 39.44 2vur n ASN 577 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2vur n GLU 578 N -0.91 -1.25 -4.02 3.52 1.02 0.11 -4.97 120.64 114.13 2vur n GLU 578 Ca 0.19 0.40 -0.31 0.00 -0.02 0.00 0.00 57.16 57.42 2vur n GLU 578 Cb 0.21 -3.94 -0.15 0.00 -0.02 0.00 0.00 31.44 27.54 2vur n GLU 578 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2vur s ASP 579 N -3.54 4.67 0.19 1.62 -1.08 0.94 -4.99 116.67 114.46 2vur s ASP 579 Ca 0.44 -1.97 -0.03 0.00 -0.52 0.00 0.00 52.55 50.47 2vur s ASP 579 Cb -0.17 -1.59 0.10 0.00 -1.46 0.00 0.00 42.92 39.80 2vur s ASP 579 CO 0.88 -0.34 1.49 0.74 0.52 0.00 0.00 175.17 178.46 2vur h THR 580 N 6.64 1.32 -0.27 1.71 2.02 -1.94 -0.50 112.91 121.90 2vur h THR 580 Ca -0.08 -1.82 -0.14 0.00 0.77 0.00 0.00 66.41 65.15 2vur h THR 580 Cb 1.02 1.79 -0.00 0.00 -1.74 0.00 0.00 68.15 69.22 2vur h THR 580 CO 0.50 0.56 -0.36 -0.33 0.37 0.00 0.00 175.52 176.26 2vur h GLU 581 N 0.43 0.73 -0.57 6.66 5.08 -1.97 -0.30 114.58 124.63 2vur h GLU 581 Ca 0.01 -0.42 -0.09 0.00 -1.00 0.00 0.00 59.36 57.86 2vur h GLU 581 Cb 1.11 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 2vur h GLU 581 CO 0.11 1.04 0.02 0.00 -1.00 0.00 0.00 179.01 179.17 2vur h ALA 582 N 0.68 0.95 0.26 3.43 0.00 -1.95 -1.87 119.26 120.75 2vur h ALA 582 Ca 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2vur h ALA 582 Cb 0.95 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2vur h ALA 582 CO 0.09 0.64 -0.22 -0.92 0.00 0.00 0.00 179.25 178.83 2vur h TYR 583 N 0.90 -0.58 -0.63 0.00 3.20 -0.88 -1.92 116.97 117.07 2vur h TYR 583 Ca 0.17 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 2vur h TYR 583 Cb 0.50 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 2vur h TYR 583 CO 0.03 -0.33 0.17 0.93 -1.64 0.00 0.00 178.16 177.32 2vur h GLU 584 N -0.49 0.98 -0.32 1.82 4.39 -1.01 0.54 114.58 120.49 2vur h GLU 584 Ca -0.01 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.45 2vur h GLU 584 Cb 0.44 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2vur h GLU 584 CO -0.03 0.86 0.09 1.03 -1.16 0.00 0.00 179.01 179.80 2vur h SER 585 N 0.94 0.47 -0.40 1.42 0.87 -1.34 -2.27 113.55 113.25 2vur h SER 585 Ca 0.20 -0.22 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 2vur h SER 585 Cb 0.31 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2vur h SER 585 CO -0.00 0.57 -0.13 0.00 -0.53 0.00 0.00 176.83 176.73 2vur h ALA 586 N 0.92 0.90 -0.31 6.23 0.00 -1.10 -2.97 119.26 122.93 2vur h ALA 586 Ca 0.10 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2vur h ALA 586 Cb 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2vur h ALA 586 CO -0.00 0.63 0.19 -0.22 0.00 0.00 0.00 179.25 179.85 2vur h LYS 587 N 0.77 0.38 -0.62 0.00 3.64 -0.86 -0.71 116.57 119.17 2vur h LYS 587 Ca 0.12 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 2vur h LYS 587 Cb 0.65 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2vur h LYS 587 CO 0.05 0.25 0.16 1.05 -2.27 0.00 0.00 179.45 178.69 2vur h GLU 588 N 0.39 0.95 0.30 1.90 -0.00 -1.37 -0.28 114.58 116.47 2vur h GLU 588 Ca 0.12 -0.20 -0.01 0.00 -0.00 0.00 0.00 59.36 59.26 2vur h GLU 588 Cb -0.02 -0.14 0.00 0.00 -0.00 0.00 0.00 28.75 28.59 2vur h GLU 588 CO -0.04 0.84 -0.14 0.82 -0.00 0.00 0.00 179.01 180.49 2vur h ILE 589 N 0.92 0.74 -0.34 -1.06 2.04 -1.45 -0.94 117.51 117.42 2vur h ILE 589 Ca 0.20 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.79 2vur h ILE 589 Cb 0.31 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 2vur h ILE 589 CO -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 178.15 178.21 2vur h ALA 590 N 0.08 0.30 -0.62 1.87 0.00 -0.97 -0.20 119.26 119.71 2vur h ALA 590 Ca -0.04 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2vur h ALA 590 Cb 0.42 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2vur h ALA 590 CO 0.07 -0.41 0.40 0.37 0.00 0.00 0.00 179.25 179.68 2vur h GLN 591 N 0.09 0.79 -0.64 0.00 5.75 -0.99 -1.13 115.11 118.98 2vur h GLN 591 Ca 0.16 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.64 2vur h GLN 591 Cb 0.23 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 2vur h GLN 591 CO -0.28 0.52 0.40 -0.97 -2.65 0.00 0.00 178.83 175.86 2vur h ASN 592 N 0.82 0.67 -0.29 -0.69 -0.00 -0.44 -1.20 115.58 114.44 2vur h ASN 592 Ca 0.23 -0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.46 2vur h ASN 592 Cb -0.07 -0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.09 2vur h ASN 592 CO -0.06 0.47 -0.07 0.11 -0.00 0.00 0.00 177.43 177.88 2vur h LYS 593 N 0.80 0.57 -0.36 6.67 1.79 -0.72 -1.10 116.57 124.21 2vur h LYS 593 Ca 0.25 -0.22 0.05 0.00 -2.18 0.00 0.00 60.65 58.56 2vur h LYS 593 Cb -0.00 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.57 2vur h LYS 593 CO -0.09 0.76 0.10 1.25 -1.08 0.00 0.00 179.45 180.39 2vur h LEU 594 N 0.33 0.07 -0.84 2.94 5.85 -1.08 -2.26 115.31 120.32 2vur h LEU 594 Ca 0.07 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2vur h LEU 594 Cb 0.55 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2vur h LEU 594 CO 0.03 0.08 -0.02 0.78 -0.34 0.00 0.00 178.44 178.96 2vur h ASN 595 N 0.24 0.81 -0.29 1.25 2.35 -0.96 0.13 115.58 119.11 2vur h ASN 595 Ca 0.17 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 2vur h ASN 595 Cb 0.17 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 2vur h ASN 595 CO -0.20 0.89 0.11 0.74 -1.65 0.00 0.00 177.43 177.33 2vur h THR 596 N 0.77 0.94 -0.46 2.81 2.02 -1.14 -2.14 112.91 115.72 2vur h THR 596 Ca 0.14 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 67.12 2vur h THR 596 Cb 0.50 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2vur h THR 596 CO 0.03 0.05 -0.20 0.00 0.37 0.00 0.00 175.52 175.76 2vur h ALA 597 N 1.17 0.78 -0.86 6.16 0.00 -0.75 -2.31 119.26 123.46 2vur h ALA 597 Ca 0.12 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2vur h ALA 597 Cb 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2vur h ALA 597 CO -0.12 0.66 0.57 -0.07 0.00 0.00 0.00 179.25 180.29 2vur h LEU 598 N 0.80 0.97 -0.15 0.00 3.38 -0.89 -3.19 115.31 116.23 2vur h LEU 598 Ca 0.11 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 2vur h LEU 598 Cb 0.75 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2vur h LEU 598 CO 0.06 0.69 -0.67 0.28 0.09 0.00 0.00 178.44 178.89 2vur h SER 599 N 1.14 0.00 -4.17 -0.43 0.02 -1.11 -3.47 113.55 105.53 2vur h SER 599 Ca 0.32 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.80 2vur h SER 599 Cb -0.10 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.46 2vur h SER 599 CO -0.08 0.67 0.37 -0.94 -1.14 0.00 0.00 176.83 175.71 2vur s SER 600 N -6.56 6.51 0.22 3.07 1.04 -0.89 -4.96 113.70 112.11 2vur s SER 600 Ca 0.02 1.65 -0.08 0.00 0.48 0.00 0.00 55.95 58.02 2vur s SER 600 Cb 0.09 -2.52 0.29 0.00 0.10 0.00 0.00 66.02 63.98 2vur s SER 600 CO 0.77 -0.67 1.79 0.15 0.98 0.00 0.00 173.24 176.26 2vur h PHE 601 N 1.02 0.65 -3.94 5.02 3.04 -1.91 -3.44 116.94 117.39 2vur h PHE 601 Ca -0.47 0.03 -0.53 0.00 3.98 0.00 0.00 57.97 60.98 2vur h PHE 601 Cb 1.19 -0.19 0.08 0.00 2.56 0.00 0.00 35.95 39.59 2vur h PHE 601 CO 0.62 0.27 0.62 0.00 -2.02 0.00 0.00 178.31 177.81 2vur s ALA 602 N -6.08 3.31 -0.03 2.41 0.00 -1.26 -4.25 121.76 115.87 2vur s ALA 602 Ca -0.13 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.11 2vur s ALA 602 Cb 0.17 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2vur s ALA 602 CO 0.76 -0.80 -0.09 0.08 0.00 0.00 0.00 175.76 175.70 2vur s VAL 603 N -1.24 0.81 -0.11 0.00 1.01 -0.14 -4.93 120.40 115.80 2vur s VAL 603 Ca 0.55 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 61.89 2vur s VAL 603 Cb -0.39 -0.72 0.06 0.00 0.00 0.00 0.00 36.38 35.34 2vur s VAL 603 CO 0.50 0.25 0.63 -0.51 0.00 0.00 0.00 175.10 175.97 2vur s ILE 604 N 0.16 0.01 -1.58 2.22 2.07 -1.26 -4.01 121.20 118.81 2vur s ILE 604 Ca -0.03 -0.06 -0.15 0.00 -1.41 0.00 0.00 60.65 59.00 2vur s ILE 604 Cb -0.08 -0.92 0.11 0.00 0.13 0.00 0.00 42.46 41.69 2vur s ILE 604 CO 0.00 -0.03 0.92 -0.24 -1.91 0.00 0.00 174.94 173.69 2vur n SER 605 N 1.58 -4.42 -0.16 4.50 2.88 -0.52 -4.67 113.62 112.82 2vur n SER 605 Ca -0.18 -0.83 -0.02 0.00 -1.33 0.00 0.00 58.87 56.51 2vur n SER 605 Cb 0.56 -3.55 0.06 0.00 -0.75 0.00 0.00 64.21 60.54 2vur n SER 605 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2vur h GLU 606 N -1.89 0.18 -0.01 -1.46 3.07 -1.95 -1.60 114.58 110.92 2vur h GLU 606 Ca -0.58 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.27 2vur h GLU 606 Cb 1.38 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 2vur h GLU 606 CO 0.70 0.12 -0.01 1.63 -1.40 0.00 0.00 179.01 180.05 2vur n LYS 607 N -5.15 1.35 0.00 2.33 5.02 -1.26 -0.56 118.16 119.88 2vur n LYS 607 Ca 0.05 -0.55 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 2vur n LYS 607 Cb 0.25 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2vur n LYS 607 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2vur n VAL 608 N -0.35 0.00 -0.03 -0.18 0.31 -0.76 -4.61 118.33 112.71 2vur n VAL 608 Ca 0.21 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.47 2vur n VAL 608 Cb 0.26 -0.26 0.12 0.00 -0.91 0.00 0.00 33.84 33.04 2vur n VAL 608 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2vur h ALA 609 N 0.31 0.91 0.13 3.52 0.00 -1.64 -1.61 119.26 120.88 2vur h ALA 609 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2vur h ALA 609 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2vur h ALA 609 CO 0.00 0.62 -0.06 0.37 0.00 0.00 0.00 179.25 180.18 2vur h GLN 610 N 0.53 -0.16 -1.01 0.00 4.15 -1.45 -3.33 115.11 113.83 2vur h GLN 610 Ca 0.06 0.01 0.24 0.00 0.77 0.00 0.00 58.65 59.73 2vur h GLN 610 Cb 0.80 0.04 -0.11 0.00 0.21 0.00 0.00 27.48 28.42 2vur h GLN 610 CO 0.07 0.13 0.62 1.03 -1.93 0.00 0.00 178.83 178.75 2vur h SER 611 N -1.00 0.61 -0.75 -0.69 0.87 -0.86 -1.99 113.55 109.74 2vur h SER 611 Ca -0.02 0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.72 2vur h SER 611 Cb 0.37 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.28 2vur h SER 611 CO 0.03 0.14 0.49 0.15 -0.53 0.00 0.00 176.83 177.11 2vur h PHE 612 N 0.55 0.78 -0.23 2.24 3.57 -1.40 -0.42 116.94 122.03 2vur h PHE 612 Ca 0.61 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 62.08 2vur h PHE 612 Cb 1.25 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2vur h PHE 612 CO -0.00 0.40 -0.03 0.82 -2.23 0.00 0.00 178.31 177.26 2vur h ILE 613 N 0.76 1.27 -0.85 1.41 2.04 -1.48 -1.49 117.51 119.17 2vur h ILE 613 Ca 0.33 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 2vur h ILE 613 Cb 0.32 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 2vur h ILE 613 CO -0.12 0.31 0.50 -0.61 0.00 0.00 0.00 178.15 178.23 2vur h GLN 614 N 0.18 1.15 -0.79 2.37 5.75 -1.33 -1.15 115.11 121.28 2vur h GLN 614 Ca 0.06 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 2vur h GLN 614 Cb 0.47 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 2vur h GLN 614 CO 0.02 0.81 0.41 0.93 -2.65 0.00 0.00 178.83 178.35 2vur h GLU 615 N 1.17 1.12 -0.06 1.69 5.08 -0.96 -2.10 114.58 120.52 2vur h GLU 615 Ca 0.30 -0.14 -0.23 0.00 -1.00 0.00 0.00 59.36 58.29 2vur h GLU 615 Cb -0.04 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.01 2vur h GLU 615 CO -0.06 0.84 -0.89 0.00 -1.00 0.00 0.00 179.01 177.90 2vur h ALA 616 N 1.33 0.31 -0.16 3.43 0.00 -0.76 -2.36 119.26 121.06 2vur h ALA 616 Ca 0.28 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2vur h ALA 616 Cb 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2vur h ALA 616 CO -0.04 0.73 -0.22 -0.07 0.00 0.00 0.00 179.25 179.65 2vur h LEU 617 N 0.38 0.27 -1.16 0.00 3.38 -1.08 -2.62 115.31 114.47 2vur h LEU 617 Ca -0.08 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2vur h LEU 617 Cb 1.52 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2vur h LEU 617 CO 0.17 0.50 -0.08 -1.20 0.09 0.00 0.00 178.44 177.92 2vur n SER 618 N -4.19 1.89 -4.74 -0.43 7.64 -0.80 -4.87 113.62 108.11 2vur n SER 618 Ca -0.01 -1.55 -0.40 0.00 1.01 0.00 0.00 58.87 57.93 2vur n SER 618 Cb 0.34 0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.56 2vur n SER 618 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2vur s PHE 619 N -2.12 3.71 -0.45 1.43 5.36 -0.90 -5.02 117.98 119.99 2vur s PHE 619 Ca 0.31 1.42 0.03 0.00 -0.96 0.00 0.00 56.93 57.74 2vur s PHE 619 Cb 0.20 -2.81 0.12 0.00 -0.34 0.00 0.00 43.02 40.20 2vur s PHE 619 CO 0.38 0.25 0.20 0.34 -1.46 0.00 0.00 175.22 174.93 2vur s ASP 620 N 0.08 4.17 0.39 6.13 3.68 -1.26 -4.94 116.67 124.91 2vur s ASP 620 Ca 0.38 -2.64 0.13 0.00 2.13 0.00 0.00 52.55 52.56 2vur s ASP 620 Cb -0.20 -1.39 0.80 0.00 -1.45 0.00 0.00 42.92 40.68 2vur s ASP 620 CO 0.22 -0.28 1.87 0.25 0.13 0.00 0.00 175.17 177.36 2vur h LEU 621 N 6.89 0.00 -1.65 -1.34 6.46 -1.95 -2.95 115.31 120.77 2vur h LEU 621 Ca -0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2vur h LEU 621 Cb 0.93 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 2vur h LEU 621 CO 0.58 0.32 0.00 0.71 -0.62 0.00 0.00 178.44 179.43 2vur h THR 622 N 0.00 0.00 -0.33 1.05 1.35 -1.92 -1.94 112.91 111.12 2vur h THR 622 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 2vur h THR 622 Cb 0.57 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2vur h THR 622 CO 0.04 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.49 2vur n LEU 623 N -2.50 3.47 -0.50 3.87 4.77 -1.11 -5.22 117.00 119.78 2vur n LEU 623 Ca -0.01 -2.48 0.14 0.00 -0.03 0.00 0.00 56.01 53.63 2vur n LEU 623 Cb 0.10 -0.39 0.51 0.00 -2.33 0.00 0.00 43.42 41.30 2vur n LEU 623 CO 0.15 0.71 0.86 -0.38 -1.33 0.00 0.00 177.39 177.40