#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vca s LYS 2 N 0.00 0.87 -0.03 -4.13 -2.85 -0.60 -4.98 119.74 108.02 1vca s LYS 2 Ca 0.00 -1.00 -0.01 0.00 -1.00 0.00 0.00 55.97 53.96 1vca s LYS 2 Cb 0.00 -0.91 -0.04 0.00 -2.06 0.00 0.00 37.83 34.82 1vca s LYS 2 CO 0.00 0.20 0.06 -1.50 0.10 0.00 0.00 175.35 174.21 1vca s ILE 3 N -1.29 4.64 0.04 3.79 2.07 -1.26 -1.56 121.20 127.63 1vca s ILE 3 Ca -0.00 -0.34 -0.05 0.00 -1.41 0.00 0.00 60.65 58.85 1vca s ILE 3 Cb -0.10 -3.07 -0.01 0.00 0.13 0.00 0.00 42.46 39.41 1vca s ILE 3 CO 0.03 0.43 0.09 -1.61 -1.91 0.00 0.00 174.94 171.97 1vca s GLU 4 N -1.46 0.60 0.02 3.50 2.02 0.02 -4.99 118.70 118.40 1vca s GLU 4 Ca 0.20 -0.82 -0.10 0.00 0.02 0.00 0.00 54.97 54.27 1vca s GLU 4 Cb -0.12 0.23 0.01 0.00 0.10 0.00 0.00 34.13 34.35 1vca s GLU 4 CO 0.10 -0.15 0.20 0.95 0.02 0.00 0.00 175.26 176.38 1vca s THR 5 N -2.82 0.09 -0.10 3.63 -4.23 -1.26 -0.21 115.64 110.74 1vca s THR 5 Ca -0.03 -0.73 0.03 0.00 -1.18 0.00 0.00 61.69 59.78 1vca s THR 5 Cb 0.00 -0.68 0.01 0.00 1.34 0.00 0.00 72.50 73.17 1vca s THR 5 CO -0.06 -0.40 -0.19 0.42 -0.54 0.00 0.00 174.62 173.85 1vca s THR 6 N -1.88 1.72 1.03 3.99 -4.23 -0.44 -3.71 115.64 112.11 1vca s THR 6 Ca -0.10 -0.80 -0.15 0.00 -1.18 0.00 0.00 61.69 59.46 1vca s THR 6 Cb -0.04 -1.52 0.20 0.00 1.34 0.00 0.00 72.50 72.48 1vca s THR 6 CO -0.00 0.48 1.14 -2.16 -0.54 0.00 0.00 174.62 173.54 1vca s PRO 7 N 0.64 0.18 0.09 3.99 0.04 -1.26 -1.17 135.00 137.51 1vca s PRO 7 Ca -0.13 0.17 -0.28 0.00 0.04 0.00 0.00 61.00 60.80 1vca s PRO 7 Cb -0.16 -1.74 -0.14 0.00 0.04 0.00 0.00 34.50 32.49 1vca s PRO 7 CO 0.04 -2.82 1.66 1.49 0.04 0.00 0.00 177.00 177.41 1vca h GLU 8 N -1.95 -0.49 0.00 4.56 4.57 -1.98 -3.42 114.58 115.87 1vca h GLU 8 Ca -0.50 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1vca h GLU 8 Cb 1.31 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.01 1vca h GLU 8 CO 0.51 -0.33 -0.19 -1.13 -1.18 0.00 0.00 179.01 176.69 1vca n SER 9 N -5.34 0.94 -3.63 1.04 3.41 -1.26 -4.87 113.62 103.92 1vca n SER 9 Ca -0.09 -0.01 -0.15 0.00 -0.26 0.00 0.00 58.87 58.35 1vca n SER 9 Cb 0.25 0.21 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 1vca n SER 9 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1vca s ARG 10 N -0.40 0.90 -0.07 4.33 3.52 -1.26 -1.48 118.95 124.49 1vca s ARG 10 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 1vca s ARG 10 Cb 0.00 0.42 0.02 0.00 -1.56 0.00 0.00 34.95 33.83 1vca s ARG 10 CO 0.00 -0.28 -0.06 -0.47 -0.81 0.00 0.00 175.30 173.67 1vca s TYR 11 N -1.54 1.11 -0.49 5.12 6.14 -0.21 -4.75 117.35 122.73 1vca s TYR 11 Ca -0.11 -0.43 -0.17 0.00 0.64 0.00 0.00 57.07 57.00 1vca s TYR 11 Cb -0.02 -0.94 0.07 0.00 0.42 0.00 0.00 41.96 41.48 1vca s TYR 11 CO 0.05 -0.33 0.51 -1.17 0.64 0.00 0.00 175.55 175.26 1vca s LEU 12 N 1.27 5.35 -0.10 6.97 2.96 -1.26 -0.77 118.68 133.10 1vca s LEU 12 Ca -0.05 -1.17 -0.02 0.00 -0.22 0.00 0.00 54.13 52.68 1vca s LEU 12 Cb -0.14 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 1vca s LEU 12 CO -0.02 -0.78 -0.01 0.00 -1.32 0.00 0.00 176.35 174.21 1vca s ALA 13 N 2.11 3.20 0.02 5.97 0.00 0.56 -4.98 121.76 128.64 1vca s ALA 13 Ca 0.09 -0.82 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 1vca s ALA 13 Cb -0.22 -1.46 -0.06 0.00 0.00 0.00 0.00 23.12 21.37 1vca s ALA 13 CO 0.09 0.52 0.54 -1.14 0.00 0.00 0.00 175.76 175.76 1vca s GLN 14 N -0.65 4.19 0.23 0.00 0.74 -1.26 -1.77 119.66 121.14 1vca s GLN 14 Ca 0.10 0.65 -0.32 0.00 0.05 0.00 0.00 55.36 55.85 1vca s GLN 14 Cb -0.12 -3.28 -0.13 0.00 1.10 0.00 0.00 33.01 30.59 1vca s GLN 14 CO 0.02 0.54 1.56 -0.89 -0.55 0.00 0.00 175.29 175.98 1vca n ILE 15 N 2.15 0.56 0.00 -2.34 5.41 0.13 -2.04 119.36 123.23 1vca n ILE 15 Ca -0.10 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1vca n ILE 15 Cb 0.51 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 1vca n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1vca n GLY 16 N 2.81 2.62 3.91 7.39 0.00 0.05 -4.95 105.19 117.02 1vca n GLY 16 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1vca n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vca s ASP 17 N -1.33 4.36 -0.31 1.61 1.01 -0.87 -4.50 116.67 116.65 1vca s ASP 17 Ca 0.00 0.60 -0.07 0.00 0.71 0.00 0.00 52.55 53.79 1vca s ASP 17 Cb 0.00 -1.05 0.02 0.00 1.01 0.00 0.00 42.92 42.89 1vca s ASP 17 CO 0.00 -1.96 0.09 -0.55 0.21 0.00 0.00 175.17 172.96 1vca s SER 18 N -4.62 5.18 0.02 0.27 0.15 -1.26 -0.32 113.70 113.13 1vca s SER 18 Ca 0.63 -0.83 0.07 0.00 0.70 0.00 0.00 55.95 56.52 1vca s SER 18 Cb -0.10 -1.88 -0.02 0.00 -1.71 0.00 0.00 66.02 62.31 1vca s SER 18 CO 0.48 -0.23 -0.21 -0.69 1.20 0.00 0.00 173.24 173.79 1vca s VAL 19 N 1.47 1.67 0.06 4.45 1.01 -0.57 -5.01 120.40 123.48 1vca s VAL 19 Ca 0.01 -1.10 0.08 0.00 0.00 0.00 0.00 61.98 60.98 1vca s VAL 19 Cb -0.18 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1vca s VAL 19 CO 0.03 0.30 -0.22 -0.44 0.00 0.00 0.00 175.10 174.76 1vca s SER 20 N -0.94 2.65 0.06 3.32 0.01 -1.26 -0.62 113.70 116.91 1vca s SER 20 Ca 0.08 -0.57 0.09 0.00 1.31 0.00 0.00 55.95 56.86 1vca s SER 20 Cb -0.09 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 1vca s SER 20 CO 0.01 0.16 -0.25 -0.76 0.41 0.00 0.00 173.24 172.81 1vca s LEU 21 N -1.35 2.20 0.06 2.44 1.02 0.08 -4.81 118.68 118.31 1vca s LEU 21 Ca 0.08 -0.61 0.05 0.00 0.02 0.00 0.00 54.13 53.67 1vca s LEU 21 Cb -0.09 -1.18 -0.03 0.00 0.02 0.00 0.00 46.19 44.91 1vca s LEU 21 CO 0.02 0.21 -0.13 0.42 0.02 0.00 0.00 176.35 176.89 1vca s THR 22 N -0.87 1.04 -0.04 5.49 -4.23 -0.32 -0.96 115.64 115.76 1vca s THR 22 Ca 0.11 -1.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.48 1vca s THR 22 Cb -0.10 -0.99 0.01 0.00 1.34 0.00 0.00 72.50 72.76 1vca s THR 22 CO 0.03 -0.16 -0.09 0.00 -0.54 0.00 0.00 174.62 173.85 1vca s SER 24 N 0.40 0.47 0.07 0.00 0.01 0.71 -0.80 113.70 114.56 1vca s SER 24 Ca -0.07 -0.98 0.06 0.00 1.31 0.00 0.00 55.95 56.26 1vca s SER 24 Cb -0.11 0.21 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 1vca s SER 24 CO 0.01 -0.61 -0.16 0.42 0.41 0.00 0.00 173.24 173.32 1vca s THR 25 N -3.92 1.26 0.13 1.44 -4.23 -0.99 -0.80 115.64 108.53 1vca s THR 25 Ca 0.07 -1.25 0.11 0.00 -1.18 0.00 0.00 61.69 59.43 1vca s THR 25 Cb 0.08 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.71 1vca s THR 25 CO -0.10 -0.10 -0.26 0.42 -0.54 0.00 0.00 174.62 174.04 1vca s THR 26 N -1.10 2.17 -0.06 3.99 -4.23 -0.60 -4.75 115.64 111.06 1vca s THR 26 Ca 0.01 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 1vca s THR 26 Cb -0.09 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.81 1vca s THR 26 CO 0.02 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1vca n GLY 27 N 0.88 0.44 2.97 3.99 0.00 -1.26 -1.56 105.19 110.65 1vca n GLY 27 Ca -0.18 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 1vca n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vca h GLU 29 N 6.93 -0.70 -2.54 0.00 4.81 -1.99 -3.40 114.58 117.69 1vca h GLU 29 Ca -0.34 0.05 -0.60 0.00 -0.13 0.00 0.00 59.36 58.33 1vca h GLU 29 Cb 1.17 0.16 -0.41 0.00 0.63 0.00 0.00 28.75 30.30 1vca h GLU 29 CO 0.48 -0.47 -0.72 0.43 -0.73 0.00 0.00 179.01 178.00 1vca n SER 30 N -4.99 2.25 -4.79 1.04 7.64 -1.26 -5.00 113.62 108.50 1vca n SER 30 Ca -0.09 -3.07 -0.34 0.00 1.01 0.00 0.00 58.87 56.38 1vca n SER 30 Cb 0.29 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 62.78 1vca n SER 30 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1vca s PRO 31 N -1.48 3.71 -0.09 1.43 0.04 -1.26 -4.71 135.00 132.64 1vca s PRO 31 Ca 0.32 1.39 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1vca s PRO 31 Cb 0.06 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1vca s PRO 31 CO -0.12 -0.51 -0.14 0.12 0.04 0.00 0.00 177.00 176.39 1vca s PHE 32 N -1.97 2.75 0.07 0.56 5.36 -0.63 -4.97 117.98 119.14 1vca s PHE 32 Ca 0.68 -0.44 0.07 0.00 -0.96 0.00 0.00 56.93 56.28 1vca s PHE 32 Cb -0.17 -1.74 -0.04 0.00 -0.34 0.00 0.00 43.02 40.73 1vca s PHE 32 CO 0.22 -0.04 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.73 1vca s PHE 33 N -0.15 2.62 -0.00 10.12 0.40 -1.26 -0.76 117.98 128.95 1vca s PHE 33 Ca -0.01 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.10 1vca s PHE 33 Cb -0.14 -1.44 -0.00 0.00 0.51 0.00 0.00 43.02 41.95 1vca s PHE 33 CO 0.03 0.33 0.02 0.45 0.70 0.00 0.00 175.22 176.76 1vca s SER 34 N -1.76 0.03 0.10 1.36 0.15 -0.52 -5.00 113.70 108.06 1vca s SER 34 Ca 0.17 -0.07 0.10 0.00 0.70 0.00 0.00 55.95 56.85 1vca s SER 34 Cb -0.11 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.24 1vca s SER 34 CO 0.08 -0.08 -0.25 0.26 1.20 0.00 0.00 173.24 174.46 1vca s TRP 35 N -0.34 2.11 0.23 3.44 0.52 -1.26 -0.58 118.94 123.06 1vca s TRP 35 Ca -0.04 -0.39 -0.19 0.00 0.02 0.00 0.00 56.10 55.50 1vca s TRP 35 Cb -0.02 -1.18 0.03 0.00 -1.15 0.00 0.00 33.47 31.14 1vca s TRP 35 CO -0.00 0.25 0.61 -0.98 0.02 0.00 0.00 176.95 176.85 1vca s ARG 36 N -1.81 1.56 0.47 4.98 1.70 -0.79 -4.99 118.95 120.07 1vca s ARG 36 Ca 0.11 -0.91 0.08 0.00 -0.47 0.00 0.00 55.73 54.53 1vca s ARG 36 Cb -0.10 0.56 0.01 0.00 -0.57 0.00 0.00 34.95 34.86 1vca s ARG 36 CO 0.04 -0.69 0.49 0.95 -1.08 0.00 0.00 175.30 175.02 1vca s THR 37 N -3.90 2.47 0.41 4.99 -4.23 -1.26 -0.14 115.64 113.98 1vca s THR 37 Ca 0.11 -1.24 0.31 0.00 -1.18 0.00 0.00 61.69 59.68 1vca s THR 37 Cb -0.03 -2.71 0.33 0.00 1.34 0.00 0.00 72.50 71.43 1vca s THR 37 CO 0.02 0.00 2.11 1.56 -0.54 0.00 0.00 174.62 177.76 1vca h GLN 38 N 0.76 0.00 -0.21 3.99 1.08 -1.94 -2.92 115.11 115.86 1vca h GLN 38 Ca -0.38 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1vca h GLN 38 Cb 1.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 1vca h GLN 38 CO 0.52 0.08 0.00 0.44 -0.95 0.00 0.00 178.83 178.92 1vca n ILE 39 N -3.48 0.80 -3.42 2.54 -5.35 -1.26 -5.03 119.36 104.16 1vca n ILE 39 Ca -0.02 -0.90 -0.18 0.00 -0.27 0.00 0.00 62.75 61.38 1vca n ILE 39 Cb 0.22 0.64 0.01 0.00 -1.74 0.00 0.00 39.64 38.77 1vca n ILE 39 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1vca n ASP 40 N 0.29 -6.19 -4.17 7.28 9.92 -1.11 -5.03 116.55 117.54 1vca n ASP 40 Ca 0.08 -0.38 -0.28 0.00 -0.53 0.00 0.00 54.79 53.68 1vca n ASP 40 Cb 0.34 -3.16 -0.07 0.00 -0.64 0.00 0.00 41.12 37.59 1vca n ASP 40 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1vca n SER 41 N -1.65 2.19 -4.69 -2.24 3.41 -1.26 -5.02 113.62 104.36 1vca n SER 41 Ca -0.13 -3.14 -0.31 0.00 -0.26 0.00 0.00 58.87 55.03 1vca n SER 41 Cb 0.61 0.71 0.15 0.00 -0.26 0.00 0.00 64.21 65.42 1vca n SER 41 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1vca s PRO 42 N -3.64 1.26 0.10 4.33 0.04 -1.26 -4.65 135.00 131.19 1vca s PRO 42 Ca 0.11 1.40 0.07 0.00 0.04 0.00 0.00 61.00 62.62 1vca s PRO 42 Cb 0.01 -1.77 -0.22 0.00 0.04 0.00 0.00 34.50 32.56 1vca s PRO 42 CO 0.08 -2.41 1.20 -0.07 0.04 0.00 0.00 177.00 175.84 1vca h LEU 43 N -1.70 0.02 -1.19 -3.56 3.38 -1.96 -3.47 115.31 106.83 1vca h LEU 43 Ca -0.44 -0.03 -0.38 0.00 0.09 0.00 0.00 57.88 57.12 1vca h LEU 43 Cb 1.26 -0.01 0.14 0.00 0.09 0.00 0.00 40.66 42.15 1vca h LEU 43 CO 0.45 1.02 -0.72 0.59 0.09 0.00 0.00 178.44 179.87 1vca n ASN 44 N -3.33 -4.52 -3.58 -0.43 3.02 -1.26 -4.82 115.26 100.34 1vca n ASN 44 Ca -0.02 -0.59 -0.09 0.00 -0.03 0.00 0.00 54.58 53.85 1vca n ASN 44 Cb 0.96 -5.02 -0.02 0.00 -0.61 0.00 0.00 39.78 35.09 1vca n ASN 44 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1vca s GLY 45 N -3.75 0.32 -0.09 7.41 0.00 -1.26 -4.74 107.32 105.21 1vca s GLY 45 Ca 0.35 -0.66 0.04 0.00 0.00 0.00 0.00 44.72 44.44 1vca s GLY 45 CO 0.74 -0.35 -0.23 1.25 0.00 0.00 0.00 173.10 174.51 1vca s LYS 46 N -3.42 2.92 -0.16 2.90 2.20 -0.39 -4.93 119.74 118.86 1vca s LYS 46 Ca 0.16 -0.86 -0.06 0.00 -0.36 0.00 0.00 55.97 54.86 1vca s LYS 46 Cb -0.04 -2.30 -0.04 0.00 -1.51 0.00 0.00 37.83 33.94 1vca s LYS 46 CO 0.10 0.26 0.04 0.08 -0.36 0.00 0.00 175.35 175.47 1vca s VAL 47 N 0.15 4.57 -0.20 4.02 1.01 -1.26 -0.83 120.40 127.87 1vca s VAL 47 Ca -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1vca s VAL 47 Cb -0.16 -3.03 0.04 0.00 0.00 0.00 0.00 36.38 33.24 1vca s VAL 47 CO 0.07 0.50 -0.08 -0.89 0.00 0.00 0.00 175.10 174.69 1vca s THR 48 N 0.11 1.48 -0.26 3.92 2.01 -0.28 -4.99 115.64 117.63 1vca s THR 48 Ca 0.04 -0.94 -0.10 0.00 0.31 0.00 0.00 61.69 61.00 1vca s THR 48 Cb -0.13 -1.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 1vca s THR 48 CO 0.01 0.12 0.16 0.20 -0.69 0.00 0.00 174.62 174.42 1vca s ASN 49 N 1.46 5.86 -0.18 3.53 0.02 -1.26 -1.05 114.94 123.31 1vca s ASN 49 Ca -0.01 -0.01 -0.14 0.00 -1.02 0.00 0.00 52.86 51.67 1vca s ASN 49 Cb -0.16 -2.07 0.05 0.00 0.02 0.00 0.00 41.25 39.09 1vca s ASN 49 CO -0.08 -0.01 0.47 -0.70 0.02 0.00 0.00 177.10 176.80 1vca s GLU 50 N 1.51 0.51 6.68 -0.60 2.12 -0.22 -5.02 118.70 123.69 1vca s GLU 50 Ca 0.07 0.75 0.00 0.00 0.36 0.00 0.00 54.97 56.15 1vca s GLU 50 Cb -0.15 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.40 1vca s GLU 50 CO 0.08 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 1vca n GLY 51 N 3.44 3.64 1.81 -1.50 0.00 -1.26 -1.45 105.19 109.87 1vca n GLY 51 Ca -0.17 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1vca n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vca n THR 52 N 0.00 2.90 -4.03 2.61 -2.24 -1.26 -4.79 114.28 107.47 1vca n THR 52 Ca 0.00 -1.97 -0.08 0.00 -2.27 0.00 0.00 64.05 59.73 1vca n THR 52 Cb 0.00 -0.38 -0.10 0.00 -2.10 0.00 0.00 70.33 67.75 1vca n THR 52 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1vca s THR 53 N -3.13 0.17 -0.04 4.28 2.01 -0.53 -2.33 115.64 116.07 1vca s THR 53 Ca 0.53 -1.41 0.01 0.00 0.31 0.00 0.00 61.69 61.13 1vca s THR 53 Cb 0.44 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.95 1vca s THR 53 CO 0.10 -0.78 -0.04 -0.55 -0.69 0.00 0.00 174.62 172.66 1vca s SER 54 N -2.33 0.81 -0.10 3.53 0.15 0.02 -1.05 113.70 114.74 1vca s SER 54 Ca -0.02 -0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.54 1vca s SER 54 Cb 0.01 -0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 63.91 1vca s SER 54 CO -0.06 -0.05 -0.15 -0.89 1.20 0.00 0.00 173.24 173.29 1vca s THR 55 N 0.86 2.97 -0.28 6.45 2.01 -0.22 -1.00 115.64 126.43 1vca s THR 55 Ca -0.11 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 1vca s THR 55 Cb -0.14 -2.20 0.03 0.00 0.01 0.00 0.00 72.50 70.20 1vca s THR 55 CO -0.00 0.55 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.26 1vca s LEU 56 N -0.07 3.56 -0.21 4.42 2.96 -0.14 -1.12 118.68 128.08 1vca s LEU 56 Ca -0.03 -0.93 -0.05 0.00 -0.22 0.00 0.00 54.13 52.90 1vca s LEU 56 Cb -0.14 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 1vca s LEU 56 CO 0.04 -0.18 0.01 -0.89 -1.32 0.00 0.00 176.35 174.01 1vca s THR 57 N 1.36 4.00 -0.37 3.68 2.01 -0.01 -0.74 115.64 125.57 1vca s THR 57 Ca -0.01 -0.29 -0.10 0.00 0.31 0.00 0.00 61.69 61.61 1vca s THR 57 Cb -0.18 -2.82 0.03 0.00 0.01 0.00 0.00 72.50 69.54 1vca s THR 57 CO -0.02 0.41 0.18 -0.04 -0.69 0.00 0.00 174.62 174.46 1vca s MET 58 N 1.17 2.76 -0.27 4.92 -1.94 0.21 -1.27 119.30 124.88 1vca s MET 58 Ca 0.03 -1.11 -0.01 0.00 -1.71 0.00 0.00 55.69 52.89 1vca s MET 58 Cb -0.14 -3.66 0.13 0.00 2.01 0.00 0.00 34.83 33.17 1vca s MET 58 CO 0.02 -0.69 0.31 1.21 -0.01 0.00 0.00 175.02 175.86 1vca s ASN 59 N 1.51 1.21 0.37 3.03 3.04 -1.26 -1.51 114.94 121.33 1vca s ASN 59 Ca 0.01 -0.46 -0.05 0.00 0.04 0.00 0.00 52.86 52.39 1vca s ASN 59 Cb -0.19 0.67 -0.05 0.00 -1.54 0.00 0.00 41.25 40.14 1vca s ASN 59 CO 0.06 -0.36 0.65 -2.16 -3.04 0.00 0.00 177.10 172.25 1vca s PRO 60 N 2.41 3.62 0.31 0.43 0.04 -1.26 -5.07 135.00 135.48 1vca s PRO 60 Ca 0.10 0.09 -0.29 0.00 0.04 0.00 0.00 61.00 60.94 1vca s PRO 60 Cb -0.14 -2.53 -0.11 0.00 0.04 0.00 0.00 34.50 31.76 1vca s PRO 60 CO -0.27 0.05 1.51 0.08 0.04 0.00 0.00 177.00 178.41 1vca s VAL 61 N -2.34 2.24 0.19 -0.36 1.01 0.57 -4.81 120.40 116.89 1vca s VAL 61 Ca 0.46 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.68 1vca s VAL 61 Cb -0.10 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 1vca s VAL 61 CO 0.35 0.04 0.19 -1.54 0.00 0.00 0.00 175.10 174.14 1vca n SER 62 N 1.60 -0.51 0.30 3.32 3.41 -1.26 -0.77 113.62 119.71 1vca n SER 62 Ca 0.05 -2.22 0.16 0.00 -0.26 0.00 0.00 58.87 56.60 1vca n SER 62 Cb 0.39 1.10 0.92 0.00 -0.26 0.00 0.00 64.21 66.36 1vca n SER 62 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1vca h PHE 63 N 1.61 0.00 0.00 7.33 0.04 -1.99 -2.18 116.94 121.75 1vca h PHE 63 Ca -0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1vca h PHE 63 Cb 0.69 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1vca h PHE 63 CO 0.00 0.03 0.00 0.41 -0.60 0.00 0.00 178.31 178.15 1vca n GLY 64 N -1.03 -0.64 0.75 -1.45 0.00 -1.26 -3.06 105.19 98.49 1vca n GLY 64 Ca -0.03 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.95 1vca n GLY 64 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vca n ASN 65 N -0.93 3.18 -4.49 1.61 4.13 -0.82 -4.76 115.26 113.18 1vca n ASN 65 Ca 0.13 -2.15 -0.43 0.00 1.68 0.00 0.00 54.58 53.81 1vca n ASN 65 Cb 0.06 -0.30 -0.01 0.00 -1.54 0.00 0.00 39.78 37.99 1vca n ASN 65 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1vca s GLU 66 N -1.28 3.87 0.29 3.52 2.12 -1.17 -4.71 118.70 121.33 1vca s GLU 66 Ca 0.28 -2.07 -0.06 0.00 0.36 0.00 0.00 54.97 53.49 1vca s GLU 66 Cb 0.17 -5.14 -0.01 0.00 0.26 0.00 0.00 34.13 29.41 1vca s GLU 66 CO 0.16 -1.91 0.42 -1.01 -0.54 0.00 0.00 175.26 172.38 1vca s HIS 67 N 2.77 0.83 -0.34 5.30 3.76 -1.21 -5.01 115.29 121.39 1vca s HIS 67 Ca 0.42 -1.11 -0.12 0.00 -0.15 0.00 0.00 55.06 54.10 1vca s HIS 67 Cb -0.02 -0.07 -0.01 0.00 1.11 0.00 0.00 32.58 33.60 1vca s HIS 67 CO -0.03 -1.00 0.23 -1.12 -0.85 0.00 0.00 174.74 171.97 1vca s SER 68 N -3.15 5.94 -0.24 1.40 0.01 -1.26 -0.60 113.70 115.80 1vca s SER 68 Ca 0.29 -0.52 -0.16 0.00 1.31 0.00 0.00 55.95 56.88 1vca s SER 68 Cb 0.01 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 1vca s SER 68 CO 0.15 -0.25 0.40 -0.31 0.41 0.00 0.00 173.24 173.64 1vca s TYR 69 N 1.69 3.30 -0.25 2.43 2.02 0.19 -2.89 117.35 123.83 1vca s TYR 69 Ca 0.05 0.52 -0.08 0.00 -0.37 0.00 0.00 57.07 57.19 1vca s TYR 69 Cb -0.18 -2.57 -0.04 0.00 -0.40 0.00 0.00 41.96 38.78 1vca s TYR 69 CO 0.09 -0.14 0.11 -0.51 -1.57 0.00 0.00 175.55 173.53 1vca s LEU 70 N 1.79 3.66 -0.17 -1.29 1.43 0.80 -0.48 118.68 124.41 1vca s LEU 70 Ca 0.17 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 1vca s LEU 70 Cb -0.15 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1vca s LEU 70 CO 0.09 -0.02 0.24 0.00 0.23 0.00 0.00 176.35 176.88 1vca s THR 72 N 0.31 3.01 -0.28 0.00 2.01 0.25 -1.32 115.64 119.62 1vca s THR 72 Ca 0.14 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 1vca s THR 72 Cb -0.12 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1vca s THR 72 CO 0.02 0.31 0.18 0.00 -0.69 0.00 0.00 174.62 174.44 1vca s ALA 73 N 1.38 3.47 -0.26 7.40 0.00 0.03 -1.43 121.76 132.34 1vca s ALA 73 Ca 0.03 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 1vca s ALA 73 Cb -0.15 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 1vca s ALA 73 CO -0.05 -0.58 0.07 0.99 0.00 0.00 0.00 175.76 176.19 1vca s THR 74 N 1.73 4.18 -0.32 0.00 2.01 0.06 -1.02 115.64 122.28 1vca s THR 74 Ca 0.07 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 1vca s THR 74 Cb -0.16 -3.02 0.07 0.00 0.01 0.00 0.00 72.50 69.40 1vca s THR 74 CO 0.10 0.26 0.03 0.00 -0.69 0.00 0.00 174.62 174.31 1vca n GLU 76 N 4.55 0.00 -0.00 0.00 1.02 -1.26 -1.35 120.64 123.60 1vca n GLU 76 Ca -0.09 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.12 1vca n GLU 76 Cb 0.43 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.75 1vca n GLU 76 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1vca n SER 77 N 10.45 0.90 -4.74 1.62 3.41 -1.26 -4.97 113.62 119.02 1vca n SER 77 Ca 0.00 -0.64 -0.40 0.00 -0.26 0.00 0.00 58.87 57.57 1vca n SER 77 Cb 0.00 1.17 -0.05 0.00 -0.26 0.00 0.00 64.21 65.07 1vca n SER 77 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1vca s ARG 78 N -2.56 4.44 -0.19 4.33 0.52 -0.46 -5.07 118.95 119.96 1vca s ARG 78 Ca 0.03 0.95 0.01 0.00 -0.52 0.00 0.00 55.73 56.19 1vca s ARG 78 Cb 0.11 -3.37 0.04 0.00 0.52 0.00 0.00 34.95 32.24 1vca s ARG 78 CO 0.61 0.27 -0.13 0.15 0.02 0.00 0.00 175.30 176.22 1vca s LYS 79 N 0.07 2.27 0.08 3.54 1.02 -1.26 -0.28 119.74 125.18 1vca s LYS 79 Ca 0.36 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.53 1vca s LYS 79 Cb -0.19 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.64 1vca s LYS 79 CO 0.21 -0.37 0.14 -0.51 -0.92 0.00 0.00 175.35 173.90 1vca s LEU 80 N 1.36 4.05 -0.02 3.17 1.43 -0.19 -4.94 118.68 123.54 1vca s LEU 80 Ca 0.00 0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1vca s LEU 80 Cb -0.15 -2.69 -0.00 0.00 0.03 0.00 0.00 46.19 43.37 1vca s LEU 80 CO -0.09 0.16 -0.13 -0.70 0.23 0.00 0.00 176.35 175.82 1vca s GLU 81 N -2.53 1.18 -0.06 1.70 2.12 -1.26 -0.79 118.70 119.06 1vca s GLU 81 Ca 0.32 -0.45 -0.04 0.00 0.36 0.00 0.00 54.97 55.16 1vca s GLU 81 Cb -0.12 -1.10 0.03 0.00 0.26 0.00 0.00 34.13 33.19 1vca s GLU 81 CO 0.25 0.23 0.15 0.21 -0.54 0.00 0.00 175.26 175.56 1vca s LYS 82 N -0.09 0.14 0.18 4.30 2.20 -0.43 -5.00 119.74 121.04 1vca s LYS 82 Ca 0.01 0.29 0.08 0.00 -0.36 0.00 0.00 55.97 55.98 1vca s LYS 82 Cb -0.07 -0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.18 1vca s LYS 82 CO 0.00 -0.08 -0.01 0.20 -0.36 0.00 0.00 175.35 175.10 1vca s GLY 83 N 0.57 1.72 -0.09 5.54 0.00 -1.26 -0.13 107.32 113.67 1vca s GLY 83 Ca -0.04 -1.39 -0.00 0.00 0.00 0.00 0.00 44.72 43.29 1vca s GLY 83 CO -0.03 -1.41 -0.05 -0.42 0.00 0.00 0.00 173.10 171.19 1vca s ILE 84 N -1.75 0.78 -0.14 0.90 1.01 0.36 -4.77 121.20 117.59 1vca s ILE 84 Ca 0.27 -0.17 -0.25 0.00 0.00 0.00 0.00 60.65 60.50 1vca s ILE 84 Cb -0.09 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 1vca s ILE 84 CO 0.18 0.32 0.83 -1.58 0.00 0.00 0.00 174.94 174.69 1vca s GLN 85 N 1.54 4.33 -0.28 2.79 0.74 -0.55 -0.64 119.66 127.59 1vca s GLN 85 Ca 0.00 1.03 -0.09 0.00 0.05 0.00 0.00 55.36 56.36 1vca s GLN 85 Cb -0.13 -3.55 -0.02 0.00 1.10 0.00 0.00 33.01 30.41 1vca s GLN 85 CO -0.05 -0.26 0.13 0.08 -0.55 0.00 0.00 175.29 174.64 1vca s VAL 86 N 1.91 4.57 -0.12 1.34 1.01 0.23 -1.05 120.40 128.30 1vca s VAL 86 Ca 0.39 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 1vca s VAL 86 Cb -0.17 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1vca s VAL 86 CO 0.14 0.18 0.00 -1.61 0.00 0.00 0.00 175.10 173.82 1vca s GLU 87 N 1.63 3.29 0.13 2.72 2.02 0.05 -3.35 118.70 125.18 1vca s GLU 87 Ca 0.05 -0.42 0.09 0.00 0.02 0.00 0.00 54.97 54.72 1vca s GLU 87 Cb -0.16 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 1vca s GLU 87 CO 0.06 0.54 -0.16 0.96 0.02 0.00 0.00 175.26 176.68 1vca s ILE 88 N -0.43 2.91 0.23 -1.63 -4.36 -1.26 -0.33 121.20 116.33 1vca s ILE 88 Ca 0.08 -1.54 -0.14 0.00 -0.26 0.00 0.00 60.65 58.79 1vca s ILE 88 Cb -0.12 -2.36 0.00 0.00 1.25 0.00 0.00 42.46 41.23 1vca s ILE 88 CO 0.02 0.05 0.47 -0.72 0.24 0.00 0.00 174.94 175.01 1vca s TYR 89 N -1.27 0.26 -0.11 1.37 1.13 -0.73 -4.80 117.35 113.21 1vca s TYR 89 Ca 0.19 -0.62 -0.04 0.00 -1.41 0.00 0.00 57.07 55.19 1vca s TYR 89 Cb -0.10 0.22 0.05 0.00 -1.10 0.00 0.00 41.96 41.03 1vca s TYR 89 CO 0.11 -0.96 0.22 0.45 -2.51 0.00 0.00 175.55 172.87 1vca s SER 90 N -2.98 0.37 -0.45 -0.18 0.15 0.41 -0.69 113.70 110.33 1vca s SER 90 Ca 0.19 0.48 0.07 0.00 0.70 0.00 0.00 55.95 57.39 1vca s SER 90 Cb -0.00 0.50 0.32 0.00 -1.71 0.00 0.00 66.02 65.12 1vca s SER 90 CO 0.06 -0.23 1.03 0.33 1.20 0.00 0.00 173.24 175.63 1vca n PHE 91 N 5.13 -2.39 0.21 3.44 7.35 -1.26 -1.31 117.46 128.63 1vca n PHE 91 Ca -0.09 -2.39 0.10 0.00 -0.76 0.00 0.00 57.45 54.31 1vca n PHE 91 Cb 0.50 1.28 0.29 0.00 0.35 0.00 0.00 39.48 41.90 1vca n PHE 91 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1vca h PRO 92 N 3.08 0.00 -4.67 -7.13 0.13 -1.82 -3.47 132.00 118.12 1vca h PRO 92 Ca -0.07 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.77 1vca h PRO 92 Cb 1.07 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.99 1vca h PRO 92 CO 0.21 0.17 -0.74 -1.59 -0.23 0.00 0.00 178.00 175.81 1vca s LYS 93 N -3.33 0.57 0.70 0.86 -2.85 -1.26 -5.14 119.74 109.29 1vca s LYS 93 Ca 0.04 -0.79 -0.15 0.00 -1.00 0.00 0.00 55.97 54.06 1vca s LYS 93 Cb 0.07 -0.36 0.02 0.00 -2.06 0.00 0.00 37.83 35.51 1vca s LYS 93 CO 0.66 0.07 1.19 -0.51 0.10 0.00 0.00 175.35 176.85 1vca s ASP 94 N -1.63 4.47 0.95 0.03 1.01 -1.26 -4.72 116.67 115.52 1vca s ASP 94 Ca -0.09 2.29 -0.11 0.00 0.71 0.00 0.00 52.55 55.36 1vca s ASP 94 Cb -0.10 -2.58 0.16 0.00 1.01 0.00 0.00 42.92 41.41 1vca s ASP 94 CO 0.01 -2.08 1.11 -2.84 0.21 0.00 0.00 175.17 171.58 1vca s PRO 95 N -3.89 0.78 -0.10 8.23 0.02 -1.26 -4.77 135.00 134.01 1vca s PRO 95 Ca 0.73 1.33 0.03 0.00 0.02 0.00 0.00 61.00 63.11 1vca s PRO 95 Cb -0.28 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1vca s PRO 95 CO 0.43 -2.72 -0.21 -1.21 -0.33 0.00 0.00 177.00 172.96 1vca s GLU 96 N -4.66 2.76 -0.20 5.54 2.02 0.36 -4.61 118.70 119.91 1vca s GLU 96 Ca 0.66 -0.78 -0.09 0.00 0.02 0.00 0.00 54.97 54.78 1vca s GLU 96 Cb -0.22 -2.12 -0.05 0.00 0.10 0.00 0.00 34.13 31.84 1vca s GLU 96 CO 0.59 0.13 0.11 0.42 0.02 0.00 0.00 175.26 176.53 1vca s ILE 97 N 0.46 5.25 0.02 -1.63 1.01 -1.26 -1.19 121.20 123.86 1vca s ILE 97 Ca -0.17 0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.70 1vca s ILE 97 Cb -0.17 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 1vca s ILE 97 CO 0.07 0.44 -0.26 -1.00 0.00 0.00 0.00 174.94 174.19 1vca s HIS 98 N 0.39 2.33 0.08 3.97 3.76 0.15 -4.99 115.29 120.98 1vca s HIS 98 Ca 0.07 -0.42 0.09 0.00 -0.15 0.00 0.00 55.06 54.65 1vca s HIS 98 Cb -0.11 -1.44 -0.03 0.00 1.11 0.00 0.00 32.58 32.11 1vca s HIS 98 CO -0.01 0.06 -0.25 -0.51 -0.85 0.00 0.00 174.74 173.18 1vca s LEU 99 N -0.99 2.24 0.00 0.89 1.43 -1.26 -1.26 118.68 119.73 1vca s LEU 99 Ca 0.11 -0.65 0.19 0.00 -1.03 0.00 0.00 54.13 52.75 1vca s LEU 99 Cb -0.10 -1.14 0.83 0.00 0.03 0.00 0.00 46.19 45.81 1vca s LEU 99 CO 0.01 0.18 1.62 -1.54 0.23 0.00 0.00 176.35 176.85 1vca n SER 100 N 1.36 0.01 0.00 2.29 3.41 -0.48 -4.94 113.62 115.28 1vca n SER 100 Ca -0.18 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1vca n SER 100 Cb 0.53 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1vca n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vca n GLY 101 N 0.51 -1.40 3.79 5.00 0.00 -1.26 -5.00 105.19 106.83 1vca n GLY 101 Ca 0.05 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1vca n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vca s PRO 102 N -1.09 3.55 -0.17 1.61 0.04 -1.26 -4.98 135.00 132.70 1vca s PRO 102 Ca 0.00 1.38 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 1vca s PRO 102 Cb 0.00 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1vca s PRO 102 CO 0.00 -0.64 1.18 -0.51 0.04 0.00 0.00 177.00 177.07 1vca s LEU 103 N -3.84 4.17 -0.18 -3.56 1.02 -1.26 -5.00 118.68 110.03 1vca s LEU 103 Ca 0.68 1.60 0.01 0.00 0.02 0.00 0.00 54.13 56.43 1vca s LEU 103 Cb -0.18 -3.54 0.02 0.00 0.02 0.00 0.00 46.19 42.50 1vca s LEU 103 CO 0.26 -0.71 -0.19 -1.61 0.02 0.00 0.00 176.35 174.13 1vca s GLU 104 N 3.25 3.04 0.20 1.70 2.02 -1.26 -0.46 118.70 127.18 1vca s GLU 104 Ca 0.51 -0.81 -0.32 0.00 0.02 0.00 0.00 54.97 54.38 1vca s GLU 104 Cb -0.20 -2.60 -0.15 0.00 0.10 0.00 0.00 34.13 31.28 1vca s GLU 104 CO 0.13 -0.18 1.13 0.00 0.02 0.00 0.00 175.26 176.35 1vca n ALA 105 N 4.57 -0.65 0.00 5.21 0.00 -0.93 -1.60 120.51 127.10 1vca n ALA 105 Ca -0.21 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1vca n ALA 105 Cb 0.50 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1vca n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vca n GLY 106 N 1.88 3.00 3.84 0.00 0.00 -0.36 -4.84 105.19 108.71 1vca n GLY 106 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1vca n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vca s LYS 107 N -0.09 3.34 0.48 1.61 1.02 -0.63 -4.94 119.74 120.53 1vca s LYS 107 Ca 0.00 -0.22 -0.22 0.00 0.02 0.00 0.00 55.97 55.55 1vca s LYS 107 Cb 0.00 -3.09 -0.07 0.00 -0.52 0.00 0.00 37.83 34.15 1vca s LYS 107 CO 0.00 0.75 1.19 -1.25 -0.92 0.00 0.00 175.35 175.12 1vca s PRO 108 N -1.15 3.61 -0.02 -1.68 0.04 -1.26 -4.02 135.00 130.52 1vca s PRO 108 Ca 0.17 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.06 1vca s PRO 108 Cb -0.12 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1vca s PRO 108 CO 0.06 -0.69 -0.07 -1.50 0.04 0.00 0.00 177.00 174.84 1vca s ILE 109 N -1.52 0.56 -0.17 0.56 1.10 -0.19 -4.99 121.20 116.56 1vca s ILE 109 Ca 0.66 -0.26 -0.05 0.00 -0.51 0.00 0.00 60.65 60.48 1vca s ILE 109 Cb -0.30 -0.50 -0.03 0.00 0.15 0.00 0.00 42.46 41.77 1vca s ILE 109 CO 0.36 0.18 0.01 -0.89 -2.11 0.00 0.00 174.94 172.49 1vca s THR 110 N 0.12 4.33 -0.15 4.00 2.01 -1.26 -1.15 115.64 123.55 1vca s THR 110 Ca -0.01 -0.20 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 1vca s THR 110 Cb -0.06 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 1vca s THR 110 CO -0.00 0.48 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.67 1vca s VAL 111 N 0.35 3.79 -0.18 3.82 1.01 0.63 -1.38 120.40 128.45 1vca s VAL 111 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1vca s VAL 111 Cb -0.13 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1vca s VAL 111 CO 0.02 0.51 -0.18 -0.75 0.00 0.00 0.00 175.10 174.69 1vca s LYS 112 N 0.27 3.07 -0.23 2.72 2.20 -0.39 -1.51 119.74 125.87 1vca s LYS 112 Ca -0.04 -0.80 -0.05 0.00 -0.36 0.00 0.00 55.97 54.72 1vca s LYS 112 Cb -0.14 -2.62 -0.02 0.00 -1.51 0.00 0.00 37.83 33.54 1vca s LYS 112 CO 0.03 -0.16 0.01 0.00 -0.36 0.00 0.00 175.35 174.87 1vca s SER 114 N 1.48 3.22 -0.17 0.00 1.04 -0.33 -1.42 113.70 117.51 1vca s SER 114 Ca 0.05 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.91 1vca s SER 114 Cb -0.15 -0.31 0.02 0.00 0.10 0.00 0.00 66.02 65.69 1vca s SER 114 CO 0.00 0.26 -0.17 -0.69 0.98 0.00 0.00 173.24 173.62 1vca s VAL 115 N -0.82 1.86 0.27 5.02 1.01 -0.44 -0.49 120.40 126.80 1vca s VAL 115 Ca 0.12 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1vca s VAL 115 Cb -0.10 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1vca s VAL 115 CO 0.02 0.48 0.50 0.00 0.00 0.00 0.00 175.10 176.10 1vca s ALA 116 N 1.37 3.71 -1.35 5.51 0.00 -1.26 -1.81 121.76 127.92 1vca s ALA 116 Ca 0.04 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 1vca s ALA 116 Cb -0.13 -2.16 -0.00 0.00 0.00 0.00 0.00 23.12 20.83 1vca s ALA 116 CO -0.12 0.26 0.49 -0.25 0.00 0.00 0.00 175.76 176.14 1vca n ASP 117 N -1.00 -1.25 -4.88 0.00 8.00 -1.09 -4.52 116.55 111.80 1vca n ASP 117 Ca -0.03 -1.01 -0.34 0.00 0.71 0.00 0.00 54.79 54.11 1vca n ASP 117 Cb 0.54 -3.08 -0.05 0.00 -0.02 0.00 0.00 41.12 38.51 1vca n ASP 117 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vca s VAL 118 N -3.86 5.23 -0.27 2.53 1.01 -0.03 -4.15 120.40 120.86 1vca s VAL 118 Ca 0.09 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 1vca s VAL 118 Cb -0.04 -3.60 0.10 0.00 0.00 0.00 0.00 36.38 32.85 1vca s VAL 118 CO 0.89 0.32 0.62 -0.47 0.00 0.00 0.00 175.10 176.46 1vca s TYR 119 N -1.35 -1.14 -0.20 5.22 5.04 -0.43 -1.75 117.35 122.74 1vca s TYR 119 Ca 0.30 2.11 -0.19 0.00 -2.44 0.00 0.00 57.07 56.85 1vca s TYR 119 Cb -0.13 0.66 -0.03 0.00 0.35 0.00 0.00 41.96 42.81 1vca s TYR 119 CO 0.17 -0.58 0.56 -1.25 -1.34 0.00 0.00 175.55 173.11 1vca s PRO 120 N 2.32 4.20 0.54 4.97 0.04 -1.26 -0.45 135.00 145.37 1vca s PRO 120 Ca -0.07 0.49 0.24 0.00 0.04 0.00 0.00 61.00 61.70 1vca s PRO 120 Cb -0.09 -3.57 1.53 0.00 0.04 0.00 0.00 34.50 32.41 1vca s PRO 120 CO -0.18 -0.18 2.17 0.27 0.04 0.00 0.00 177.00 179.11 1vca h PHE 121 N 7.48 0.00 0.00 0.56 -5.15 -1.91 -1.83 116.94 116.09 1vca h PHE 121 Ca -0.33 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.44 1vca h PHE 121 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.32 1vca h PHE 121 CO 0.71 0.04 0.00 -0.40 -2.00 0.00 0.00 178.31 176.66 1vca n ASP 122 N -4.04 0.00 -0.89 -0.68 5.75 -1.26 -1.84 116.55 113.58 1vca n ASP 122 Ca -0.03 0.10 0.10 0.00 -0.01 0.00 0.00 54.79 54.95 1vca n ASP 122 Cb 0.13 -0.29 0.14 0.00 -1.03 0.00 0.00 41.12 40.07 1vca n ASP 122 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1vca n ARG 123 N -1.29 2.05 -3.29 0.11 5.12 -0.69 -4.66 116.66 114.01 1vca n ARG 123 Ca 0.07 -1.92 -0.38 0.00 -1.93 0.00 0.00 57.85 53.68 1vca n ARG 123 Cb 0.11 -1.41 -0.06 0.00 -1.16 0.00 0.00 32.46 29.95 1vca n ARG 123 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1vca s LEU 124 N -1.44 4.42 -0.07 0.55 2.96 -0.77 -0.97 118.68 123.37 1vca s LEU 124 Ca 0.29 1.08 0.03 0.00 -0.22 0.00 0.00 54.13 55.30 1vca s LEU 124 Cb 0.18 -2.81 0.01 0.00 0.50 0.00 0.00 46.19 44.06 1vca s LEU 124 CO 0.26 0.15 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.60 1vca s GLU 125 N -0.36 1.80 -0.17 1.98 2.12 0.21 -3.88 118.70 120.40 1vca s GLU 125 Ca 0.28 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.16 1vca s GLU 125 Cb -0.18 -1.48 0.01 0.00 0.26 0.00 0.00 34.13 32.75 1vca s GLU 125 CO 0.15 0.06 -0.17 0.42 -0.54 0.00 0.00 175.26 175.18 1vca s ILE 126 N 0.58 2.36 -0.08 -3.70 1.01 0.62 -1.03 121.20 120.95 1vca s ILE 126 Ca -0.14 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 1vca s ILE 126 Cb -0.15 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 1vca s ILE 126 CO 0.04 0.52 0.01 -1.81 0.00 0.00 0.00 174.94 173.70 1vca s ASP 127 N 1.12 5.29 -0.15 3.58 1.01 -0.15 0.34 116.67 127.70 1vca s ASP 127 Ca 0.00 0.15 0.01 0.00 0.71 0.00 0.00 52.55 53.42 1vca s ASP 127 Cb -0.14 -1.49 0.02 0.00 1.01 0.00 0.00 42.92 42.31 1vca s ASP 127 CO -0.07 0.38 -0.15 -0.22 0.21 0.00 0.00 175.17 175.31 1vca s LEU 128 N -0.92 1.77 0.13 1.23 2.96 0.08 -1.04 118.68 122.88 1vca s LEU 128 Ca 0.14 -0.51 0.11 0.00 -0.22 0.00 0.00 54.13 53.65 1vca s LEU 128 Cb -0.11 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 1vca s LEU 128 CO 0.03 -0.04 -0.27 -0.76 -1.32 0.00 0.00 176.35 173.99 1vca s LEU 129 N 1.39 2.33 -0.23 -0.68 1.02 -0.22 -0.00 118.68 122.30 1vca s LEU 129 Ca 0.04 -0.75 0.00 0.00 0.02 0.00 0.00 54.13 53.44 1vca s LEU 129 Cb -0.13 -1.23 0.06 0.00 0.02 0.00 0.00 46.19 44.91 1vca s LEU 129 CO -0.10 0.18 -0.04 -0.75 0.02 0.00 0.00 176.35 175.66 1vca s LYS 130 N -2.08 1.49 7.85 1.70 2.20 -0.19 -1.20 119.74 129.52 1vca s LYS 130 Ca 0.14 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 1vca s LYS 130 Cb -0.10 -2.52 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1vca s LYS 130 CO 0.06 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 1vca n GLY 131 N 4.72 3.44 0.63 5.54 0.00 0.14 -1.40 105.19 118.26 1vca n GLY 131 Ca -0.12 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.90 1vca n GLY 131 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vca n ASP 132 N 5.58 1.91 -4.73 1.61 5.68 -1.26 -4.89 116.55 120.46 1vca n ASP 132 Ca 0.00 -1.70 -0.38 0.00 -0.50 0.00 0.00 54.79 52.21 1vca n ASP 132 Cb 0.00 -0.08 -0.06 0.00 -1.14 0.00 0.00 41.12 39.84 1vca n ASP 132 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1vca s HIS 133 N -1.83 3.52 -0.33 2.11 3.76 -0.49 -5.03 115.29 116.99 1vca s HIS 133 Ca 0.34 0.87 -0.24 0.00 -0.15 0.00 0.00 55.06 55.88 1vca s HIS 133 Cb 0.19 -2.52 0.01 0.00 1.11 0.00 0.00 32.58 31.37 1vca s HIS 133 CO 0.29 0.20 0.83 -1.17 -0.85 0.00 0.00 174.74 174.04 1vca s LEU 134 N 0.52 4.07 -0.04 0.89 2.96 -1.26 -1.02 118.68 124.81 1vca s LEU 134 Ca 0.25 0.61 -0.17 0.00 -0.22 0.00 0.00 54.13 54.60 1vca s LEU 134 Cb -0.15 -3.13 -0.32 0.00 0.50 0.00 0.00 46.19 43.10 1vca s LEU 134 CO 0.10 -0.70 0.80 0.24 -1.32 0.00 0.00 176.35 175.47 1vca h MET 135 N 8.25 0.38 -2.24 1.98 2.86 -0.77 -3.48 114.93 121.91 1vca h MET 135 Ca -0.24 -0.64 -0.07 0.00 -2.06 0.00 0.00 59.70 56.69 1vca h MET 135 Cb 1.09 0.24 -0.20 0.00 0.06 0.00 0.00 31.60 32.79 1vca h MET 135 CO 0.92 1.31 0.06 0.21 1.06 0.00 0.00 176.91 180.46 1vca s LYS 136 N -2.52 0.87 -0.16 1.72 2.20 -1.13 -5.01 119.74 115.70 1vca s LYS 136 Ca -0.14 0.44 -0.00 0.00 -0.36 0.00 0.00 55.97 55.91 1vca s LYS 136 Cb 0.04 0.41 0.04 0.00 -1.51 0.00 0.00 37.83 36.81 1vca s LYS 136 CO 0.85 -0.21 -0.08 0.45 -0.36 0.00 0.00 175.35 176.00 1vca s SER 137 N -0.60 2.87 -0.16 1.43 0.15 -1.26 -0.74 113.70 115.38 1vca s SER 137 Ca -0.07 -0.64 -0.05 0.00 0.70 0.00 0.00 55.95 55.88 1vca s SER 137 Cb -0.03 -1.03 -0.03 0.00 -1.71 0.00 0.00 66.02 63.22 1vca s SER 137 CO 0.06 -0.15 0.01 -1.58 1.20 0.00 0.00 173.24 172.78 1vca s GLN 138 N 1.56 3.72 0.12 5.44 2.00 0.15 -4.96 119.66 127.69 1vca s GLN 138 Ca 0.01 -0.42 0.05 0.00 -2.00 0.00 0.00 55.36 53.00 1vca s GLN 138 Cb -0.15 -3.03 -0.04 0.00 0.80 0.00 0.00 33.01 30.59 1vca s GLN 138 CO -0.08 0.32 -0.11 -2.00 -0.50 0.00 0.00 175.29 172.91 1vca s GLU 139 N 0.19 0.96 -0.07 1.67 2.12 -1.26 -0.28 118.70 122.03 1vca s GLU 139 Ca 0.01 -1.27 0.05 0.00 0.36 0.00 0.00 54.97 54.13 1vca s GLU 139 Cb -0.13 -0.68 -0.01 0.00 0.26 0.00 0.00 34.13 33.58 1vca s GLU 139 CO 0.02 0.11 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.54 1vca s PHE 140 N -2.61 2.49 0.11 5.30 0.40 -1.25 -5.04 117.98 117.38 1vca s PHE 140 Ca 0.10 -0.79 -0.30 0.00 -0.60 0.00 0.00 56.93 55.33 1vca s PHE 140 Cb -0.02 -1.64 -0.07 0.00 0.51 0.00 0.00 43.02 41.81 1vca s PHE 140 CO 0.01 -0.26 1.21 -0.51 0.70 0.00 0.00 175.22 176.37 1vca s LEU 141 N -0.03 4.40 -0.56 -0.37 2.01 -1.26 -4.77 118.68 118.09 1vca s LEU 141 Ca -0.07 2.11 -0.12 0.00 0.01 0.00 0.00 54.13 56.06 1vca s LEU 141 Cb -0.15 -3.59 -0.14 0.00 0.01 0.00 0.00 46.19 42.32 1vca s LEU 141 CO 0.05 -0.44 1.67 -0.62 1.01 0.00 0.00 176.35 178.02 1vca n GLU 142 N 3.43 0.09 -2.67 1.70 1.02 -1.26 -4.55 120.64 118.40 1vca n GLU 142 Ca 0.07 -0.55 -0.04 0.00 -0.02 0.00 0.00 57.16 56.63 1vca n GLU 142 Cb 0.45 -2.08 0.06 0.00 -0.02 0.00 0.00 31.44 29.85 1vca n GLU 142 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1vca n ASP 143 N 10.42 -1.40 0.00 1.62 2.03 -1.26 -5.10 116.55 122.85 1vca n ASP 143 Ca 0.29 -1.50 0.00 0.00 0.52 0.00 0.00 54.79 54.10 1vca n ASP 143 Cb 0.42 0.75 0.00 0.00 -0.72 0.00 0.00 41.12 41.56 1vca n ASP 143 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vca n ALA 144 N 1.94 0.00 0.00 -1.67 0.00 -1.26 -5.02 120.51 114.50 1vca n ALA 144 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1vca n ALA 144 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1vca n ALA 144 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1vca n ASP 145 N 0.00 0.00 0.00 0.00 5.68 -1.26 -5.14 116.55 115.83 1vca n ASP 145 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1vca n ASP 145 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1vca n ASP 145 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1vca n ARG 146 N 0.00 0.00 -3.65 0.11 5.12 -1.26 -5.13 116.66 111.85 1vca n ARG 146 Ca 0.00 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.52 1vca n ARG 146 Cb 0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.19 1vca n ARG 146 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1vca s LYS 147 N 1.66 2.67 0.02 5.56 -0.14 -1.26 -5.05 119.74 123.19 1vca s LYS 147 Ca 0.00 -1.26 -0.28 0.00 -1.36 0.00 0.00 55.97 53.07 1vca s LYS 147 Cb 0.00 -3.67 0.10 0.00 -1.68 0.00 0.00 37.83 32.58 1vca s LYS 147 CO 0.00 -0.79 0.85 -1.54 -0.76 0.00 0.00 175.35 173.11 1vca s SER 148 N 1.71 -0.40 -0.07 2.83 1.04 -1.26 -5.11 113.70 112.45 1vca s SER 148 Ca 0.01 0.01 -0.26 0.00 0.48 0.00 0.00 55.95 56.19 1vca s SER 148 Cb -0.21 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 1vca s SER 148 CO 0.04 -0.67 0.82 -0.76 0.98 0.00 0.00 173.24 173.64 1vca s LEU 149 N -2.50 4.31 0.11 2.42 1.02 -1.26 -4.72 118.68 118.06 1vca s LEU 149 Ca 0.04 1.34 0.09 0.00 0.02 0.00 0.00 54.13 55.61 1vca s LEU 149 Cb -0.01 -3.27 -0.04 0.00 0.02 0.00 0.00 46.19 42.90 1vca s LEU 149 CO -0.09 -0.22 -0.21 -1.61 0.02 0.00 0.00 176.35 174.23 1vca s GLU 150 N 1.14 1.18 -0.23 1.70 0.41 -0.72 -4.81 118.70 117.36 1vca s GLU 150 Ca 0.42 -1.21 -0.06 0.00 -0.41 0.00 0.00 54.97 53.70 1vca s GLU 150 Cb -0.18 -1.45 -0.03 0.00 -1.78 0.00 0.00 34.13 30.69 1vca s GLU 150 CO 0.20 0.33 0.04 0.99 -0.49 0.00 0.00 175.26 176.34 1vca s THR 151 N -1.24 4.17 0.20 3.63 2.01 -1.26 -0.85 115.64 122.30 1vca s THR 151 Ca 0.08 -0.23 0.11 0.00 0.31 0.00 0.00 61.69 61.97 1vca s THR 151 Cb -0.10 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1vca s THR 151 CO 0.05 0.38 -0.23 -0.54 -0.69 0.00 0.00 174.62 173.58 1vca s LYS 152 N 1.37 1.51 0.24 4.92 -0.14 -0.75 -4.97 119.74 121.92 1vca s LYS 152 Ca 0.05 -1.53 -0.11 0.00 -1.36 0.00 0.00 55.97 53.02 1vca s LYS 152 Cb -0.15 -1.80 -0.01 0.00 -1.68 0.00 0.00 37.83 34.20 1vca s LYS 152 CO 0.02 0.38 0.42 -1.54 -0.76 0.00 0.00 175.35 173.88 1vca s SER 153 N -2.72 -0.05 0.01 2.83 1.04 -1.26 -1.33 113.70 112.22 1vca s SER 153 Ca 0.21 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 55.68 1vca s SER 153 Cb -0.08 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 1vca s SER 153 CO 0.10 -1.09 -0.10 -0.22 0.98 0.00 0.00 173.24 172.91 1vca s LEU 154 N -3.04 2.10 -0.01 2.42 0.20 -0.51 -4.99 118.68 114.85 1vca s LEU 154 Ca 0.25 -0.31 0.03 0.00 0.69 0.00 0.00 54.13 54.79 1vca s LEU 154 Cb 0.01 -0.47 -0.00 0.00 -0.43 0.00 0.00 46.19 45.29 1vca s LEU 154 CO 0.09 0.04 -0.10 -1.61 -0.29 0.00 0.00 176.35 174.49 1vca s GLU 155 N -0.69 0.89 -0.04 1.98 2.02 -1.26 -0.61 118.70 120.99 1vca s GLU 155 Ca 0.01 -0.35 -0.08 0.00 0.02 0.00 0.00 54.97 54.58 1vca s GLU 155 Cb -0.06 -0.85 0.01 0.00 0.10 0.00 0.00 34.13 33.34 1vca s GLU 155 CO 0.00 0.18 0.18 0.54 0.02 0.00 0.00 175.26 176.19 1vca s VAL 156 N -0.08 0.03 -0.09 2.63 0.11 -0.57 -4.99 120.40 117.45 1vca s VAL 156 Ca 0.01 -0.26 0.03 0.00 -2.93 0.00 0.00 61.98 58.83 1vca s VAL 156 Cb -0.06 -0.35 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1vca s VAL 156 CO -0.00 -0.14 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.56 1vca s THR 157 N -0.49 2.68 0.19 5.04 2.01 -1.26 -0.26 115.64 123.55 1vca s THR 157 Ca -0.06 -0.83 -0.08 0.00 0.31 0.00 0.00 61.69 61.03 1vca s THR 157 Cb -0.04 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 1vca s THR 157 CO 0.01 0.56 0.30 0.72 -0.69 0.00 0.00 174.62 175.52 1vca s PHE 158 N -0.08 0.52 -0.29 4.92 -0.71 -0.30 -4.98 117.98 117.05 1vca s PHE 158 Ca -0.04 -0.87 -0.04 0.00 -1.04 0.00 0.00 56.93 54.95 1vca s PHE 158 Cb -0.14 -0.09 0.03 0.00 -1.21 0.00 0.00 43.02 41.61 1vca s PHE 158 CO 0.04 -0.77 0.02 0.99 -1.34 0.00 0.00 175.22 174.17 1vca s THR 159 N -4.01 3.33 0.58 -4.49 2.01 -1.26 -1.02 115.64 110.78 1vca s THR 159 Ca 0.22 -1.10 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 1vca s THR 159 Cb 0.03 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 1vca s THR 159 CO 0.04 -0.01 1.30 -2.84 -0.69 0.00 0.00 174.62 172.42 1vca s PRO 160 N 1.35 2.96 0.21 4.92 0.02 -1.26 -4.82 135.00 138.38 1vca s PRO 160 Ca -0.02 2.07 0.09 0.00 0.02 0.00 0.00 61.00 63.16 1vca s PRO 160 Cb -0.18 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.22 1vca s PRO 160 CO -0.00 -1.28 -0.05 0.14 -0.33 0.00 0.00 177.00 175.48 1vca s VAL 161 N -1.40 3.38 0.44 3.83 -7.23 -1.26 -1.23 120.40 116.93 1vca s VAL 161 Ca 0.76 -1.70 0.15 0.00 -1.81 0.00 0.00 61.98 59.38 1vca s VAL 161 Cb -0.37 -2.73 0.35 0.00 0.56 0.00 0.00 36.38 34.19 1vca s VAL 161 CO 0.41 -0.20 1.95 -0.29 -0.31 0.00 0.00 175.10 176.66 1vca h ILE 162 N 2.39 0.84 0.00 -0.62 6.09 -1.96 -1.43 117.51 122.82 1vca h ILE 162 Ca -0.46 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 1vca h ILE 162 Cb 1.22 0.41 0.00 0.00 0.47 0.00 0.00 36.82 38.92 1vca h ILE 162 CO 0.57 0.07 0.00 -1.84 -3.07 0.00 0.00 178.15 173.88 1vca n GLU 163 N -4.47 0.88 0.00 2.19 0.28 -1.26 -2.88 120.64 115.39 1vca n GLU 163 Ca 0.12 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.26 1vca n GLU 163 Cb 0.46 -1.39 0.74 0.00 1.43 0.00 0.00 31.44 32.68 1vca n GLU 163 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1vca n ASP 164 N -0.89 0.00 -4.72 -1.84 8.00 -0.54 -4.78 116.55 111.78 1vca n ASP 164 Ca 0.17 -0.42 -0.42 0.00 0.71 0.00 0.00 54.79 54.82 1vca n ASP 164 Cb 0.08 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 1vca n ASP 164 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1vca s ILE 165 N -2.33 2.43 0.00 0.53 2.07 -1.14 -1.68 121.20 121.08 1vca s ILE 165 Ca 0.32 0.30 0.00 0.00 -1.41 0.00 0.00 60.65 59.86 1vca s ILE 165 Cb 0.18 -3.19 0.00 0.00 0.13 0.00 0.00 42.46 39.58 1vca s ILE 165 CO 0.37 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 174.04 1vca n GLY 166 N 3.84 2.05 3.81 1.50 0.00 -0.25 -5.00 105.19 111.14 1vca n GLY 166 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1vca n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vca s LYS 167 N -0.05 3.11 -0.14 1.61 1.02 -0.67 -4.66 119.74 119.95 1vca s LYS 167 Ca 0.00 1.10 -0.05 0.00 0.02 0.00 0.00 55.97 57.04 1vca s LYS 167 Cb 0.00 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 1vca s LYS 167 CO 0.00 -0.97 0.03 0.14 -0.92 0.00 0.00 175.35 173.62 1vca s VAL 168 N -2.73 4.50 -0.25 3.17 -7.23 -1.26 -0.60 120.40 116.00 1vca s VAL 168 Ca 0.61 -0.15 -0.12 0.00 -1.81 0.00 0.00 61.98 60.51 1vca s VAL 168 Cb -0.15 -2.96 -0.05 0.00 0.56 0.00 0.00 36.38 33.78 1vca s VAL 168 CO 0.45 0.53 0.23 -0.22 -0.31 0.00 0.00 175.10 175.78 1vca s LEU 169 N -0.19 4.08 -0.11 1.32 0.20 0.27 -0.68 118.68 123.57 1vca s LEU 169 Ca 0.06 0.15 0.03 0.00 0.69 0.00 0.00 54.13 55.06 1vca s LEU 169 Cb -0.12 -2.20 0.01 0.00 -0.43 0.00 0.00 46.19 43.44 1vca s LEU 169 CO 0.02 -0.02 -0.18 0.54 -0.29 0.00 0.00 176.35 176.41 1vca s VAL 170 N 1.43 1.70 -0.32 1.68 0.11 -0.34 -1.08 120.40 123.58 1vca s VAL 170 Ca 0.10 -0.79 -0.08 0.00 -2.93 0.00 0.00 61.98 58.28 1vca s VAL 170 Cb -0.15 -1.52 0.01 0.00 -1.53 0.00 0.00 36.38 33.20 1vca s VAL 170 CO 0.08 0.48 0.13 0.00 -3.33 0.00 0.00 175.10 172.45 1vca s ARG 172 N 1.53 3.40 -0.18 0.00 3.52 -0.21 -1.02 118.95 125.99 1vca s ARG 172 Ca 0.03 -0.64 -0.03 0.00 -0.13 0.00 0.00 55.73 54.95 1vca s ARG 172 Cb -0.18 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.37 1vca s ARG 172 CO 0.04 0.02 -0.06 0.00 -0.81 0.00 0.00 175.30 174.49 1vca s ALA 173 N 0.88 2.81 -0.17 6.12 0.00 -0.08 -0.98 121.76 130.35 1vca s ALA 173 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1vca s ALA 173 Cb -0.15 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1vca s ALA 173 CO 0.01 -0.13 -0.16 0.15 0.00 0.00 0.00 175.76 175.63 1vca s LYS 174 N 0.96 3.16 -0.38 0.00 1.02 -0.20 -1.34 119.74 122.96 1vca s LYS 174 Ca -0.00 -0.76 -0.07 0.00 0.02 0.00 0.00 55.97 55.15 1vca s LYS 174 Cb -0.15 -2.65 0.07 0.00 -0.52 0.00 0.00 37.83 34.58 1vca s LYS 174 CO 0.00 -0.08 0.18 -1.17 -0.92 0.00 0.00 175.35 173.36 1vca s LEU 175 N 1.05 4.79 -1.44 3.17 2.96 -0.40 -0.62 118.68 128.19 1vca s LEU 175 Ca -0.01 -1.44 -0.13 0.00 -0.22 0.00 0.00 54.13 52.34 1vca s LEU 175 Cb -0.15 -1.90 0.05 0.00 0.50 0.00 0.00 46.19 44.69 1vca s LEU 175 CO -0.04 -0.44 2.24 1.41 -1.32 0.00 0.00 176.35 178.19 1vca n HIS 176 N 4.81 3.35 -2.99 5.38 8.25 -0.14 -4.74 115.22 129.14 1vca n HIS 176 Ca -0.10 -2.96 -0.20 0.00 -0.26 0.00 0.00 57.72 54.21 1vca n HIS 176 Cb 0.43 -2.45 0.06 0.00 1.12 0.00 0.00 29.99 29.15 1vca n HIS 176 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1vca s ILE 177 N 2.64 2.23 -1.42 1.59 -4.36 -1.26 -4.92 121.20 115.70 1vca s ILE 177 Ca 0.48 -0.96 -0.10 0.00 -0.26 0.00 0.00 60.65 59.81 1vca s ILE 177 Cb 0.14 -2.27 0.07 0.00 1.25 0.00 0.00 42.46 41.64 1vca s ILE 177 CO -0.07 0.00 2.34 -0.67 0.24 0.00 0.00 174.94 176.78 1vca n ASP 178 N -2.27 6.38 0.00 4.36 2.03 -1.26 -4.97 116.55 120.82 1vca n ASP 178 Ca 0.15 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.53 1vca n ASP 178 Cb 0.61 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 1vca n ASP 178 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1vca n GLU 179 N 3.80 0.00 -2.92 -0.67 2.13 -1.26 -4.90 120.64 116.82 1vca n GLU 179 Ca 0.57 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 58.01 1vca n GLU 179 Cb 0.31 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.02 1vca n GLU 179 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1vca n MET 180 N 0.00 4.44 0.00 5.31 0.00 -1.26 -4.99 117.12 120.62 1vca n MET 180 Ca 0.00 -4.65 0.00 0.00 -0.00 0.00 0.00 57.70 53.05 1vca n MET 180 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 33.22 30.79 1vca n MET 180 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1vca n ASP 181 N 0.56 0.00 0.03 6.12 9.92 -1.26 -2.88 116.55 129.03 1vca n ASP 181 Ca 0.35 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.48 1vca n ASP 181 Cb 0.32 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.71 1vca n ASP 181 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1vca h SER 182 N 0.00 -0.11 0.00 -2.24 0.02 -2.04 -3.46 113.55 105.72 1vca h SER 182 Ca 0.00 -0.43 -0.50 0.00 -0.84 0.00 0.00 61.79 60.01 1vca h SER 182 Cb 0.00 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1vca h SER 182 CO 0.00 0.42 0.94 0.52 -1.14 0.00 0.00 176.83 177.57 1vca n VAL 183 N -4.90 0.00 -1.67 2.27 0.31 -1.14 -4.77 118.33 108.44 1vca n VAL 183 Ca -0.08 0.00 -0.64 0.00 -0.01 0.00 0.00 64.34 63.61 1vca n VAL 183 Cb 0.27 -0.34 -0.09 0.00 -0.91 0.00 0.00 33.84 32.77 1vca n VAL 183 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1vca n PRO 184 N 5.19 0.18 -0.06 5.55 -0.02 -1.26 -4.48 135.00 140.09 1vca n PRO 184 Ca 0.38 0.06 -0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1vca n PRO 184 Cb -0.02 -1.59 -0.16 0.00 -0.02 0.00 0.00 33.50 31.70 1vca n PRO 184 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1vca n THR 185 N 3.27 0.73 -4.74 3.45 5.66 -1.26 -4.88 114.28 116.51 1vca n THR 185 Ca 0.27 -0.68 -0.27 0.00 -3.05 0.00 0.00 64.05 60.32 1vca n THR 185 Cb 0.01 -0.24 -0.17 0.00 -1.55 0.00 0.00 70.33 68.38 1vca n THR 185 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1vca s VAL 186 N -2.96 1.37 0.05 1.08 1.01 -1.26 -1.27 120.40 118.42 1vca s VAL 186 Ca -0.09 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1vca s VAL 186 Cb 0.10 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1vca s VAL 186 CO 0.86 0.41 -0.15 -0.13 0.00 0.00 0.00 175.10 176.08 1vca s ARG 187 N 0.60 0.99 0.10 2.72 0.52 -0.45 -5.01 118.95 118.43 1vca s ARG 187 Ca -0.15 -0.82 -0.09 0.00 -0.52 0.00 0.00 55.73 54.14 1vca s ARG 187 Cb -0.16 -1.03 -0.00 0.00 0.52 0.00 0.00 34.95 34.28 1vca s ARG 187 CO 0.05 0.25 0.22 1.14 0.02 0.00 0.00 175.30 176.98 1vca s GLN 188 N -1.24 0.90 -0.02 3.54 -2.07 -1.26 -0.90 119.66 118.61 1vca s GLN 188 Ca 0.02 -0.97 0.06 0.00 -1.82 0.00 0.00 55.36 52.65 1vca s GLN 188 Cb -0.08 0.36 -0.01 0.00 -1.09 0.00 0.00 33.01 32.18 1vca s GLN 188 CO 0.02 -0.30 -0.19 0.00 -1.32 0.00 0.00 175.29 173.50 1vca s ALA 189 N -3.87 1.58 0.05 2.60 0.00 -0.19 -4.58 121.76 117.35 1vca s ALA 189 Ca 0.06 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.29 1vca s ALA 189 Cb 0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1vca s ALA 189 CO -0.10 0.39 -0.22 0.08 0.00 0.00 0.00 175.76 175.91 1vca s VAL 190 N -0.44 1.77 -0.13 0.00 1.01 -1.26 -1.25 120.40 120.09 1vca s VAL 190 Ca 0.07 -1.27 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 1vca s VAL 190 Cb -0.07 -1.54 0.06 0.00 0.00 0.00 0.00 36.38 34.83 1vca s VAL 190 CO -0.01 0.21 0.12 -0.75 0.00 0.00 0.00 175.10 174.67 1vca s LYS 191 N -1.27 0.05 0.04 2.72 2.47 -0.24 -4.98 119.74 118.53 1vca s LYS 191 Ca 0.08 0.17 -0.30 0.00 -1.56 0.00 0.00 55.97 54.36 1vca s LYS 191 Cb -0.09 -1.19 -0.05 0.00 -1.46 0.00 0.00 37.83 35.04 1vca s LYS 191 CO 0.02 -0.54 1.09 -1.21 0.16 0.00 0.00 175.35 174.88 1vca s GLU 192 N 2.20 4.50 -0.18 4.03 2.02 -1.26 -0.57 118.70 129.45 1vca s GLU 192 Ca 0.04 1.61 -0.28 0.00 0.02 0.00 0.00 54.97 56.36 1vca s GLU 192 Cb -0.14 -3.39 -0.01 0.00 0.10 0.00 0.00 34.13 30.69 1vca s GLU 192 CO -0.08 -0.14 0.95 -0.51 0.02 0.00 0.00 175.26 175.50 1vca s LEU 193 N 0.92 4.16 -0.41 1.80 1.43 0.23 -4.95 118.68 121.87 1vca s LEU 193 Ca 0.55 1.33 -0.14 0.00 -1.03 0.00 0.00 54.13 54.83 1vca s LEU 193 Cb -0.26 -3.42 0.03 0.00 0.03 0.00 0.00 46.19 42.57 1vca s LEU 193 CO 0.29 -0.51 0.29 -1.58 0.23 0.00 0.00 176.35 175.07 1vca s GLN 194 N 2.51 2.93 -0.12 1.70 2.00 -1.26 -1.09 119.66 126.33 1vca s GLN 194 Ca 0.43 -1.08 -0.11 0.00 -2.00 0.00 0.00 55.36 52.60 1vca s GLN 194 Cb -0.16 -3.94 -0.05 0.00 0.80 0.00 0.00 33.01 29.66 1vca s GLN 194 CO 0.11 -0.77 0.23 0.08 -0.50 0.00 0.00 175.29 174.44 1vca s VAL 195 N 1.64 5.34 0.01 1.34 1.01 -1.26 -4.19 120.40 124.30 1vca s VAL 195 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1vca s VAL 195 Cb -0.20 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1vca s VAL 195 CO 0.09 0.52 0.07 -0.31 0.00 0.00 0.00 175.10 175.48 1vca s TYR 196 N -0.42 3.25 -0.05 5.22 2.02 0.39 -4.99 117.35 122.76 1vca s TYR 196 Ca 0.16 0.17 -0.16 0.00 -0.37 0.00 0.00 57.07 56.87 1vca s TYR 196 Cb -0.13 -1.71 -0.05 0.00 -0.40 0.00 0.00 41.96 39.67 1vca s TYR 196 CO 0.05 0.54 0.42 -1.50 -1.57 0.00 0.00 175.55 173.48 1vca s ILE 197 N -1.23 5.10 -0.65 2.71 2.07 -1.26 -2.20 121.20 125.76 1vca s ILE 197 Ca 0.24 0.84 -0.23 0.00 -1.41 0.00 0.00 60.65 60.10 1vca s ILE 197 Cb -0.12 -3.74 0.07 0.00 0.13 0.00 0.00 42.46 38.80 1vca s ILE 197 CO 0.15 0.48 0.96 -0.44 -1.91 0.00 0.00 174.94 174.18 1vca s SER 198 N -0.39 6.19 0.00 4.50 0.01 -1.26 -4.98 113.70 117.77 1vca s SER 198 Ca 0.24 -0.91 0.29 0.00 1.31 0.00 0.00 55.95 56.87 1vca s SER 198 Cb -0.16 -2.42 1.19 0.00 0.21 0.00 0.00 66.02 64.85 1vca s SER 198 CO 0.11 -1.41 1.83 -0.81 0.41 0.00 0.00 173.24 173.37