#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pva s SER 2 N 0.00 2.16 -0.16 0.00 0.01 -1.24 -3.88 113.70 110.59 3pva s SER 2 Ca 0.00 -0.81 -0.29 0.00 1.31 0.00 0.00 55.95 56.16 3pva s SER 2 Cb 0.00 -0.09 0.09 0.00 0.21 0.00 0.00 66.02 66.23 3pva s SER 2 CO 0.00 -0.11 0.83 -0.94 0.41 0.00 0.00 173.24 173.43 3pva s SER 3 N -2.46 -0.57 0.26 2.44 1.04 0.11 -0.93 113.70 113.59 3pva s SER 3 Ca 0.10 0.80 -0.19 0.00 0.48 0.00 0.00 55.95 57.15 3pva s SER 3 Cb -0.05 0.71 0.02 0.00 0.10 0.00 0.00 66.02 66.80 3pva s SER 3 CO 0.04 -0.40 0.64 -1.48 0.98 0.00 0.00 173.24 173.02 3pva s LEU 4 N -0.64 -0.09 0.02 2.42 2.34 -0.19 0.21 118.68 122.75 3pva s LEU 4 Ca -0.04 -0.67 0.01 0.00 0.06 0.00 0.00 54.13 53.49 3pva s LEU 4 Cb -0.02 2.43 -0.02 0.00 -0.56 0.00 0.00 46.19 48.02 3pva s LEU 4 CO 0.03 -1.26 -0.05 -0.94 -1.06 0.00 0.00 176.35 173.07 3pva s SER 5 N -2.94 0.58 0.31 1.48 1.04 -0.36 -0.14 113.70 113.67 3pva s SER 5 Ca 0.14 -0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.24 3pva s SER 5 Cb -0.04 0.02 -0.06 0.00 0.10 0.00 0.00 66.02 66.03 3pva s SER 5 CO 0.06 -0.13 0.07 0.27 0.98 0.00 0.00 173.24 174.49 3pva s ILE 6 N -0.91 1.05 -0.10 -1.02 -0.00 0.12 -4.92 121.20 115.43 3pva s ILE 6 Ca -0.07 -2.00 0.03 0.00 -0.00 0.00 0.00 60.65 58.62 3pva s ILE 6 Cb -0.07 -2.76 0.00 0.00 -0.00 0.00 0.00 42.46 39.64 3pva s ILE 6 CO -0.00 0.00 -0.21 -0.60 -0.00 0.00 0.00 174.94 174.13 3pva s ARG 7 N -3.92 2.71 0.85 0.37 6.06 -1.26 -1.61 118.95 122.14 3pva s ARG 7 Ca 0.37 -0.76 -0.09 0.00 -2.50 0.00 0.00 55.73 52.75 3pva s ARG 7 Cb 0.09 -2.10 0.16 0.00 0.06 0.00 0.00 34.95 33.16 3pva s ARG 7 CO 0.15 0.11 1.17 0.95 -2.50 0.00 0.00 175.30 175.18 3pva s THR 8 N 0.50 2.07 -1.07 4.11 -4.23 0.14 -4.56 115.64 112.59 3pva s THR 8 Ca -0.16 -0.26 0.27 0.00 -1.18 0.00 0.00 61.69 60.36 3pva s THR 8 Cb -0.17 -2.80 0.17 0.00 1.34 0.00 0.00 72.50 71.04 3pva s THR 8 CO 0.06 0.00 1.71 0.35 -0.54 0.00 0.00 174.62 176.20 3pva n THR 9 N -3.33 0.00 1.07 3.99 -2.24 0.60 -3.21 114.28 111.15 3pva n THR 9 Ca 0.15 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 3pva n THR 9 Cb 0.60 -0.15 0.60 0.00 -2.10 0.00 0.00 70.33 69.28 3pva n THR 9 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3pva n ASP 10 N -1.44 0.00 -1.92 3.42 2.03 -1.23 -4.91 116.55 112.49 3pva n ASP 10 Ca 0.07 0.14 -0.11 0.00 0.52 0.00 0.00 54.79 55.41 3pva n ASP 10 Cb 0.33 -0.37 0.03 0.00 -0.72 0.00 0.00 41.12 40.40 3pva n ASP 10 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3pva n ASP 11 N -1.37 -4.07 -4.55 1.67 8.00 -1.20 -5.03 116.55 110.01 3pva n ASP 11 Ca 0.10 -0.24 -0.33 0.00 0.71 0.00 0.00 54.79 55.03 3pva n ASP 11 Cb 0.23 -2.69 -0.12 0.00 -0.02 0.00 0.00 41.12 38.53 3pva n ASP 11 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3pva s LYS 12 N -5.54 2.63 -0.15 -1.24 1.02 -1.26 -4.93 119.74 110.28 3pva s LYS 12 Ca 0.26 -0.62 -0.03 0.00 0.02 0.00 0.00 55.97 55.59 3pva s LYS 12 Cb -0.11 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 3pva s LYS 12 CO 0.32 0.64 -0.04 -1.12 -0.92 0.00 0.00 175.35 174.23 3pva s SER 13 N -0.87 4.78 0.07 2.83 0.01 -1.26 0.25 113.70 119.51 3pva s SER 13 Ca 0.13 -0.12 0.06 0.00 1.31 0.00 0.00 55.95 57.32 3pva s SER 13 Cb -0.11 -1.74 -0.03 0.00 0.21 0.00 0.00 66.02 64.35 3pva s SER 13 CO 0.02 0.18 -0.16 -0.76 0.41 0.00 0.00 173.24 172.94 3pva s LEU 14 N 0.27 2.26 -0.00 2.44 1.02 -0.64 -0.54 118.68 123.49 3pva s LEU 14 Ca -0.03 -0.60 0.04 0.00 0.02 0.00 0.00 54.13 53.55 3pva s LEU 14 Cb -0.14 -0.61 -0.01 0.00 0.02 0.00 0.00 46.19 45.45 3pva s LEU 14 CO 0.03 -0.03 -0.13 0.12 0.02 0.00 0.00 176.35 176.37 3pva s PHE 15 N -1.18 1.12 0.05 0.29 5.36 -0.33 -0.70 117.98 122.60 3pva s PHE 15 Ca 0.00 -0.23 -0.00 0.00 -0.96 0.00 0.00 56.93 55.75 3pva s PHE 15 Cb -0.10 -0.71 -0.04 0.00 -0.34 0.00 0.00 43.02 41.84 3pva s PHE 15 CO 0.02 -0.01 -0.04 0.00 -1.46 0.00 0.00 175.22 173.73 3pva s ALA 16 N -0.36 0.55 0.02 11.12 0.00 0.80 -0.85 121.76 133.04 3pva s ALA 16 Ca 0.04 -1.10 -0.20 0.00 0.00 0.00 0.00 51.96 50.70 3pva s ALA 16 Cb -0.05 0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.32 3pva s ALA 16 CO -0.00 -0.28 0.45 -0.98 0.00 0.00 0.00 175.76 174.95 3pva s ARG 17 N -3.32 0.91 0.08 0.00 1.04 -0.56 -1.02 118.95 116.07 3pva s ARG 17 Ca 0.03 -0.21 0.03 0.00 -1.04 0.00 0.00 55.73 54.54 3pva s ARG 17 Cb 0.03 0.41 -0.04 0.00 -2.04 0.00 0.00 34.95 33.31 3pva s ARG 17 CO -0.07 -0.30 0.06 0.95 -0.04 0.00 0.00 175.30 175.91 3pva s THR 18 N -2.02 4.42 -0.34 4.99 -4.23 -0.11 -0.96 115.64 117.39 3pva s THR 18 Ca -0.08 -0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 59.62 3pva s THR 18 Cb -0.02 -3.12 0.08 0.00 1.34 0.00 0.00 72.50 70.79 3pva s THR 18 CO 0.01 0.14 0.07 -0.32 -0.54 0.00 0.00 174.62 173.97 3pva s MET 19 N -2.34 2.10 -0.39 3.99 1.75 -0.63 -3.64 119.30 120.16 3pva s MET 19 Ca 0.28 -1.56 -0.10 0.00 -1.25 0.00 0.00 55.69 53.06 3pva s MET 19 Cb -0.12 -3.29 0.05 0.00 2.84 0.00 0.00 34.83 34.30 3pva s MET 19 CO 0.21 -0.82 0.22 -0.51 -0.65 0.00 0.00 175.02 173.46 3pva s ASP 20 N 1.37 5.65 0.19 1.11 1.01 -1.26 -0.88 116.67 123.85 3pva s ASP 20 Ca 0.02 -1.22 -0.01 0.00 0.71 0.00 0.00 52.55 52.05 3pva s ASP 20 Cb -0.21 -1.99 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 3pva s ASP 20 CO -0.04 -0.44 0.12 0.12 0.21 0.00 0.00 175.17 175.14 3pva s PHE 21 N 1.48 1.13 -1.28 4.23 5.36 -0.96 -4.39 117.98 123.56 3pva s PHE 21 Ca 0.02 -1.34 0.25 0.00 -0.96 0.00 0.00 56.93 54.90 3pva s PHE 21 Cb -0.21 -0.57 0.57 0.00 -0.34 0.00 0.00 43.02 42.48 3pva s PHE 21 CO 0.04 -0.60 1.45 0.25 -1.46 0.00 0.00 175.22 174.91 3pva n THR 22 N -0.25 0.00 -3.76 0.12 -2.24 -1.26 -2.64 114.28 104.24 3pva n THR 22 Ca 0.01 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.62 3pva n THR 22 Cb 0.66 0.33 -0.08 0.00 -2.10 0.00 0.00 70.33 69.14 3pva n THR 22 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3pva s MET 23 N -2.82 0.73 -0.59 -0.78 -2.45 -1.26 -4.73 119.30 107.41 3pva s MET 23 Ca 0.16 -0.36 -0.05 0.00 -1.25 0.00 0.00 55.69 54.19 3pva s MET 23 Cb 0.18 0.32 0.15 0.00 1.25 0.00 0.00 34.83 36.73 3pva s MET 23 CO 0.64 -0.22 0.42 -1.21 1.05 0.00 0.00 175.02 175.70 3pva s GLU 24 N -1.96 2.56 0.62 4.11 2.02 -1.26 -5.08 118.70 119.71 3pva s GLU 24 Ca -0.09 -2.30 -0.18 0.00 0.02 0.00 0.00 54.97 52.42 3pva s GLU 24 Cb -0.03 -3.80 -0.02 0.00 0.10 0.00 0.00 34.13 30.37 3pva s GLU 24 CO 0.00 -1.17 1.21 -1.25 0.02 0.00 0.00 175.26 174.07 3pva s PRO 25 N 0.36 2.84 0.03 0.39 0.04 -1.26 -4.84 135.00 132.56 3pva s PRO 25 Ca 0.14 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 3pva s PRO 25 Cb -0.20 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3pva s PRO 25 CO -0.04 -1.31 1.93 -0.51 0.04 0.00 0.00 177.00 177.12 3pva s ASP 26 N -1.69 6.47 0.10 6.66 1.01 -1.26 -4.93 116.67 123.03 3pva s ASP 26 Ca 0.77 2.63 0.05 0.00 0.71 0.00 0.00 52.55 56.71 3pva s ASP 26 Cb -0.30 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.07 3pva s ASP 26 CO 0.35 -1.04 -0.14 -0.44 0.21 0.00 0.00 175.17 174.11 3pva s SER 27 N 4.32 1.81 0.28 0.27 0.01 -1.26 -4.50 113.70 114.62 3pva s SER 27 Ca 0.87 -0.72 -0.18 0.00 1.31 0.00 0.00 55.95 57.22 3pva s SER 27 Cb -0.42 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 65.78 3pva s SER 27 CO 0.40 -0.12 0.66 -1.59 0.41 0.00 0.00 173.24 173.00 3pva s LYS 28 N -2.26 1.75 -0.08 12.44 0.00 -0.96 -4.66 119.74 125.98 3pva s LYS 28 Ca 0.04 -1.09 -0.22 0.00 0.00 0.00 0.00 55.97 54.70 3pva s LYS 28 Cb -0.07 0.57 -0.04 0.00 0.00 0.00 0.00 37.83 38.30 3pva s LYS 28 CO 0.02 -0.78 0.66 0.54 0.00 0.00 0.00 175.35 175.79 3pva s VAL 29 N -3.86 5.07 -0.09 1.79 0.11 0.49 -2.24 120.40 121.67 3pva s VAL 29 Ca 0.14 1.35 0.02 0.00 -2.93 0.00 0.00 61.98 60.56 3pva s VAL 29 Cb -0.05 -4.00 -0.02 0.00 -1.53 0.00 0.00 36.38 30.79 3pva s VAL 29 CO 0.08 0.27 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.35 3pva s ILE 30 N 0.77 3.03 -0.23 7.04 1.01 0.17 -0.31 121.20 132.67 3pva s ILE 30 Ca 0.35 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 60.22 3pva s ILE 30 Cb -0.17 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3pva s ILE 30 CO 0.17 0.56 0.08 -0.63 0.00 0.00 0.00 174.94 175.11 3pva s ILE 31 N -0.14 4.61 -0.26 2.92 1.01 0.11 -1.90 121.20 127.54 3pva s ILE 31 Ca -0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.48 3pva s ILE 31 Cb -0.14 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 3pva s ILE 31 CO 0.03 0.37 0.09 -0.69 0.00 0.00 0.00 174.94 174.75 3pva s VAL 32 N 1.15 4.36 0.51 2.92 1.01 0.74 -2.52 120.40 128.57 3pva s VAL 32 Ca 0.05 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 3pva s VAL 32 Cb -0.14 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.08 3pva s VAL 32 CO 0.04 0.28 0.95 -2.16 0.00 0.00 0.00 175.10 174.21 3pva s PRO 33 N 1.61 3.88 0.50 2.72 0.04 -1.26 -0.56 135.00 141.93 3pva s PRO 33 Ca 0.06 0.85 -0.21 0.00 0.04 0.00 0.00 61.00 61.73 3pva s PRO 33 Cb -0.16 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 3pva s PRO 33 CO 0.04 -0.26 0.78 0.54 0.04 0.00 0.00 177.00 178.14 3pva n ARG 34 N -1.65 0.88 -3.17 4.56 1.74 0.13 -2.73 116.66 116.41 3pva n ARG 34 Ca 0.06 0.33 -0.23 0.00 -0.77 0.00 0.00 57.85 57.23 3pva n ARG 34 Cb 0.54 -1.87 0.02 0.00 -1.02 0.00 0.00 32.46 30.13 3pva n ARG 34 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3pva n ASN 35 N 0.39 -5.35 0.12 0.55 5.03 0.76 -4.78 115.26 111.97 3pva n ASN 35 Ca 0.11 -0.34 -0.24 0.00 0.87 0.00 0.00 54.58 54.98 3pva n ASN 35 Cb 0.43 -4.34 -0.16 0.00 -1.02 0.00 0.00 39.78 34.70 3pva n ASN 35 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3pva h TYR 36 N -1.33 0.89 0.00 3.10 3.20 -1.73 -3.46 116.97 117.65 3pva h TYR 36 Ca -0.50 -0.65 0.00 0.00 3.14 0.00 0.00 58.73 60.72 3pva h TYR 36 Cb 1.34 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.58 3pva h TYR 36 CO 0.58 1.60 0.00 0.41 -1.64 0.00 0.00 178.16 179.11 3pva n GLY 37 N 1.77 -0.57 3.09 1.82 0.00 -1.26 -4.94 105.19 105.10 3pva n GLY 37 Ca -0.20 -1.25 -0.27 0.00 0.00 0.00 0.00 46.02 44.31 3pva n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pva s ILE 38 N -0.80 1.41 0.84 -0.61 -1.09 0.59 -4.89 121.20 116.66 3pva s ILE 38 Ca 0.00 -0.66 -0.12 0.00 -2.23 0.00 0.00 60.65 57.65 3pva s ILE 38 Cb 0.00 -1.25 0.10 0.00 -1.58 0.00 0.00 42.46 39.74 3pva s ILE 38 CO 0.00 0.41 1.17 -0.13 -1.23 0.00 0.00 174.94 175.16 3pva s ARG 39 N 0.43 1.47 -0.21 2.79 1.81 -1.26 -0.99 118.95 122.99 3pva s ARG 39 Ca -0.13 1.60 0.01 0.00 -1.72 0.00 0.00 55.73 55.49 3pva s ARG 39 Cb -0.15 -1.77 -0.13 0.00 -0.45 0.00 0.00 34.95 32.44 3pva s ARG 39 CO 0.04 -2.31 -0.19 -0.11 -0.68 0.00 0.00 175.30 172.06 3pva n LEU 40 N -3.69 2.91 -4.25 2.53 7.94 -1.21 -4.82 117.00 116.41 3pva n LEU 40 Ca 0.12 -0.09 -0.22 0.00 -1.11 0.00 0.00 56.01 54.71 3pva n LEU 40 Cb 0.51 -0.73 -0.12 0.00 0.53 0.00 0.00 43.42 43.61 3pva n LEU 40 CO 0.49 0.83 -0.50 -0.76 -1.11 0.00 0.00 177.39 176.34 3pva s LEU 41 N -6.28 2.28 0.34 -1.96 1.02 -1.26 -0.85 118.68 111.97 3pva s LEU 41 Ca -0.28 -0.65 0.22 0.00 0.02 0.00 0.00 54.13 53.44 3pva s LEU 41 Cb 0.08 -0.79 0.20 0.00 0.02 0.00 0.00 46.19 45.70 3pva s LEU 41 CO 0.48 0.03 1.38 -0.08 0.02 0.00 0.00 176.35 178.18 3pva h GLU 42 N 4.21 0.00 -0.55 1.70 4.57 -1.94 -3.28 114.58 119.30 3pva h GLU 42 Ca -0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 3pva h GLU 42 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3pva h GLU 42 CO 0.40 0.02 0.00 1.63 -1.18 0.00 0.00 179.01 179.88 3pva n LYS 43 N -2.95 3.13 -4.19 1.92 5.02 -1.26 -4.89 118.16 114.93 3pva n LYS 43 Ca 0.02 -2.58 -0.17 0.00 -2.02 0.00 0.00 58.31 53.57 3pva n LYS 43 Cb 0.55 -1.61 -0.13 0.00 -0.02 0.00 0.00 35.03 33.82 3pva n LYS 43 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3pva s GLU 44 N -1.46 0.68 0.00 1.97 2.02 -1.24 -5.06 118.70 115.61 3pva s GLU 44 Ca 0.41 -0.67 0.20 0.00 0.02 0.00 0.00 54.97 54.93 3pva s GLU 44 Cb 0.25 -0.59 0.54 0.00 0.10 0.00 0.00 34.13 34.42 3pva s GLU 44 CO 0.23 0.14 1.45 0.27 0.02 0.00 0.00 175.26 177.37 3pva n ASN 45 N 1.88 3.21 -4.71 -0.19 0.23 -1.26 -4.53 115.26 109.89 3pva n ASN 45 Ca -0.19 -1.98 -0.42 0.00 -0.53 0.00 0.00 54.58 51.46 3pva n ASN 45 Cb 0.55 -0.37 -0.03 0.00 -2.08 0.00 0.00 39.78 37.85 3pva n ASN 45 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3pva s VAL 46 N -1.26 2.50 -0.17 3.53 1.01 -1.26 -4.98 120.40 119.76 3pva s VAL 46 Ca 0.40 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.69 3pva s VAL 46 Cb 0.21 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.41 3pva s VAL 46 CO 0.28 0.02 -0.18 -0.69 0.00 0.00 0.00 175.10 174.53 3pva s VAL 47 N 1.45 2.31 -0.11 2.92 1.01 -1.26 -3.32 120.40 123.40 3pva s VAL 47 Ca 0.73 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 3pva s VAL 47 Cb -0.45 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3pva s VAL 47 CO 0.32 0.53 0.55 -0.63 0.00 0.00 0.00 175.10 175.87 3pva s ILE 48 N 1.06 5.14 0.06 2.22 -1.09 -0.16 -4.83 121.20 123.59 3pva s ILE 48 Ca -0.01 1.10 -0.30 0.00 -2.23 0.00 0.00 60.65 59.22 3pva s ILE 48 Cb -0.14 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 3pva s ILE 48 CO -0.06 0.29 1.05 0.21 -1.23 0.00 0.00 174.94 175.19 3pva s ASN 49 N 0.73 7.31 -0.19 3.58 3.84 -1.26 -0.30 114.94 128.65 3pva s ASN 49 Ca 0.29 1.83 -0.20 0.00 0.21 0.00 0.00 52.86 54.99 3pva s ASN 49 Cb -0.16 -2.58 -0.03 0.00 -0.55 0.00 0.00 41.25 37.93 3pva s ASN 49 CO 0.12 -0.27 0.59 0.54 -2.79 0.00 0.00 177.10 175.29 3pva s ASN 50 N 0.70 6.66 0.25 -4.21 4.22 -1.26 -4.91 114.94 116.39 3pva s ASN 50 Ca 0.52 0.80 -0.03 0.00 -2.14 0.00 0.00 52.86 52.02 3pva s ASN 50 Cb -0.25 -2.33 0.31 0.00 1.28 0.00 0.00 41.25 40.26 3pva s ASN 50 CO 0.29 -0.22 1.76 0.28 -2.04 0.00 0.00 177.10 177.17 3pva h SER 51 N 7.40 0.80 -3.46 3.54 0.02 -1.66 0.22 113.55 120.41 3pva h SER 51 Ca -0.33 -0.19 -0.66 0.00 -0.84 0.00 0.00 61.79 59.77 3pva h SER 51 Cb 1.15 -0.21 -0.15 0.00 0.14 0.00 0.00 62.40 63.33 3pva h SER 51 CO 0.76 0.85 -0.73 -0.31 -1.14 0.00 0.00 176.83 176.26 3pva s TYR 52 N -5.04 2.75 0.37 3.45 2.02 0.59 -4.62 117.35 116.86 3pva s TYR 52 Ca -0.10 -0.15 -0.18 0.00 -0.37 0.00 0.00 57.07 56.26 3pva s TYR 52 Cb 0.15 -1.42 -0.10 0.00 -0.40 0.00 0.00 41.96 40.19 3pva s TYR 52 CO 0.82 0.44 0.85 0.00 -1.57 0.00 0.00 175.55 176.09 3pva s ALA 53 N -1.30 3.18 0.07 3.71 0.00 -1.26 -4.37 121.76 121.80 3pva s ALA 53 Ca 0.22 0.24 -0.19 0.00 0.00 0.00 0.00 51.96 52.23 3pva s ALA 53 Cb -0.11 -2.97 0.04 0.00 0.00 0.00 0.00 23.12 20.09 3pva s ALA 53 CO 0.14 0.23 0.46 -0.59 0.00 0.00 0.00 175.76 176.00 3pva s PHE 54 N -2.05 -0.32 0.00 0.00 -0.12 0.28 -1.87 117.98 113.90 3pva s PHE 54 Ca 0.57 0.25 0.05 0.00 -0.05 0.00 0.00 56.93 57.75 3pva s PHE 54 Cb -0.10 0.29 -0.01 0.00 -0.63 0.00 0.00 43.02 42.56 3pva s PHE 54 CO 0.16 -0.63 -0.14 0.54 -0.05 0.00 0.00 175.22 175.09 3pva s VAL 55 N -2.77 1.12 0.00 -2.49 0.11 0.28 -0.18 120.40 116.47 3pva s VAL 55 Ca -0.03 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 3pva s VAL 55 Cb -0.00 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 3pva s VAL 55 CO -0.04 0.23 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 3pva n GLY 56 N 2.49 0.61 3.77 6.54 0.00 -0.80 -1.28 105.19 116.53 3pva n GLY 56 Ca -0.15 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 3pva n GLY 56 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3pva s MET 57 N -0.75 4.01 0.00 1.61 -2.45 -1.20 -0.66 119.30 119.86 3pva s MET 57 Ca 0.00 -0.08 0.00 0.00 -1.25 0.00 0.00 55.69 54.36 3pva s MET 57 Cb 0.00 -3.35 0.00 0.00 1.25 0.00 0.00 34.83 32.73 3pva s MET 57 CO 0.00 0.42 0.00 0.41 1.05 0.00 0.00 175.02 176.90 3pva n GLY 58 N 3.02 1.94 3.30 2.11 0.00 -0.95 0.67 105.19 115.29 3pva n GLY 58 Ca -0.16 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 3pva n GLY 58 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3pva s SER 59 N -0.20 2.72 -0.11 1.61 0.15 0.72 -2.27 113.70 116.33 3pva s SER 59 Ca 0.00 -0.66 0.14 0.00 0.70 0.00 0.00 55.95 56.14 3pva s SER 59 Cb 0.00 -0.18 0.38 0.00 -1.71 0.00 0.00 66.02 64.51 3pva s SER 59 CO 0.00 0.12 1.29 0.35 1.20 0.00 0.00 173.24 176.20 3pva n THR 60 N 1.27 1.80 0.57 6.45 -2.24 -1.26 -0.52 114.28 120.34 3pva n THR 60 Ca -0.19 -1.68 0.13 0.00 -2.27 0.00 0.00 64.05 60.05 3pva n THR 60 Cb 0.53 -0.01 0.43 0.00 -2.10 0.00 0.00 70.33 69.18 3pva n THR 60 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3pva n ASP 61 N -0.47 0.78 -2.85 3.42 8.00 -1.26 -4.84 116.55 119.33 3pva n ASP 61 Ca 0.16 0.60 -0.09 0.00 0.71 0.00 0.00 54.79 56.17 3pva n ASP 61 Cb 0.68 -0.80 -0.01 0.00 -0.02 0.00 0.00 41.12 40.97 3pva n ASP 61 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3pva n ILE 62 N -2.26 0.00 0.05 0.53 -5.35 -1.26 -5.02 119.36 106.05 3pva n ILE 62 Ca 0.05 -0.71 -0.16 0.00 -0.27 0.00 0.00 62.75 61.66 3pva n ILE 62 Cb 0.38 -0.09 -0.10 0.00 -1.74 0.00 0.00 39.64 38.09 3pva n ILE 62 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3pva h THR 63 N 0.83 0.01 -2.50 7.28 2.02 -1.96 -3.42 112.91 115.17 3pva h THR 63 Ca -0.12 0.00 -0.54 0.00 0.77 0.00 0.00 66.41 66.52 3pva h THR 63 Cb 0.40 0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 66.76 3pva h THR 63 CO 0.20 0.00 -0.54 -0.44 0.37 0.00 0.00 175.52 175.11 3pva s SER 64 N -4.76 5.63 0.26 4.18 0.01 -1.26 -4.99 113.70 112.77 3pva s SER 64 Ca -0.16 -0.13 -0.31 0.00 1.31 0.00 0.00 55.95 56.66 3pva s SER 64 Cb 0.07 -1.49 -0.12 0.00 0.21 0.00 0.00 66.02 64.69 3pva s SER 64 CO 0.61 0.03 1.58 -2.65 0.41 0.00 0.00 173.24 173.22 3pva n PRO 65 N -0.69 2.54 -3.54 12.44 -0.02 -1.26 -4.88 135.00 139.59 3pva n PRO 65 Ca -0.08 0.91 -0.39 0.00 -2.02 0.00 0.00 63.50 61.91 3pva n PRO 65 Cb 0.56 -2.67 -0.11 0.00 -0.02 0.00 0.00 33.50 31.26 3pva n PRO 65 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3pva s VAL 66 N 0.26 5.29 -0.10 -1.45 1.01 0.32 -4.82 120.40 120.90 3pva s VAL 66 Ca 0.68 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 3pva s VAL 66 Cb -0.54 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 3pva s VAL 66 CO 0.45 0.09 0.01 -0.76 0.00 0.00 0.00 175.10 174.90 3pva s LEU 67 N 1.77 3.64 -0.05 3.92 1.02 -1.26 -0.20 118.68 127.51 3pva s LEU 67 Ca 0.07 0.14 0.10 0.00 0.02 0.00 0.00 54.13 54.46 3pva s LEU 67 Cb -0.17 -1.85 -0.23 0.00 0.02 0.00 0.00 46.19 43.96 3pva s LEU 67 CO 0.11 0.34 0.63 -1.22 0.02 0.00 0.00 176.35 176.23 3pva n TYR 68 N 2.40 1.04 -3.83 0.29 4.01 0.21 -4.53 117.16 116.76 3pva n TYR 68 Ca -0.18 0.36 -0.06 0.00 -0.16 0.00 0.00 57.90 57.85 3pva n TYR 68 Cb 0.53 -1.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.38 3pva n TYR 68 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3pva s ASP 69 N -6.21 -0.11 0.00 7.72 1.47 -1.23 -0.84 116.67 117.47 3pva s ASP 69 Ca -0.07 -0.76 0.00 0.00 1.18 0.00 0.00 52.55 52.90 3pva s ASP 69 Cb 0.08 0.69 0.00 0.00 -0.34 0.00 0.00 42.92 43.34 3pva s ASP 69 CO 0.82 -1.32 0.00 0.61 0.68 0.00 0.00 175.17 175.96 3pva n GLY 70 N -0.52 1.34 3.33 2.12 0.00 -0.58 -3.25 105.19 107.62 3pva n GLY 70 Ca -0.06 -1.14 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 3pva n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pva s VAL 71 N -2.00 1.90 0.76 1.61 1.01 -0.41 -2.24 120.40 121.03 3pva s VAL 71 Ca 0.00 -1.78 -0.05 0.00 0.00 0.00 0.00 61.98 60.15 3pva s VAL 71 Cb 0.00 -1.79 0.13 0.00 0.00 0.00 0.00 36.38 34.72 3pva s VAL 71 CO 0.00 -0.16 1.05 0.20 0.00 0.00 0.00 175.10 176.20 3pva s ASN 72 N -2.33 4.20 0.16 3.32 0.02 -0.70 -0.55 114.94 119.05 3pva s ASN 72 Ca 0.13 -0.10 0.25 0.00 -1.02 0.00 0.00 52.86 52.11 3pva s ASN 72 Cb -0.08 -0.27 0.47 0.00 0.02 0.00 0.00 41.25 41.39 3pva s ASN 72 CO 0.06 -1.97 1.45 1.05 0.02 0.00 0.00 177.10 177.71 3pva h GLU 73 N -0.74 0.00 0.00 -0.60 4.11 -1.71 -3.18 114.58 112.46 3pva h GLU 73 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 3pva h GLU 73 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3pva h GLU 73 CO 0.43 0.00 -0.68 1.63 0.07 0.00 0.00 179.01 180.46 3pva n LYS 74 N -2.22 0.06 -0.23 1.06 4.01 -1.26 -4.98 118.16 114.61 3pva n LYS 74 Ca 0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 3pva n LYS 74 Cb 0.44 -1.52 0.00 0.00 -0.51 0.00 0.00 35.03 33.44 3pva n LYS 74 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3pva n GLY 75 N 1.47 0.74 3.73 0.72 0.00 -1.20 -4.73 105.19 105.91 3pva n GLY 75 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3pva n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3pva s LEU 76 N 0.00 4.48 0.18 0.99 2.96 -1.26 -2.95 118.68 123.08 3pva s LEU 76 Ca 0.00 1.73 0.10 0.00 -0.22 0.00 0.00 54.13 55.75 3pva s LEU 76 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 3pva s LEU 76 CO 0.00 -0.08 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.71 3pva s MET 77 N 0.12 1.68 -0.01 1.98 -1.94 0.25 -1.72 119.30 119.65 3pva s MET 77 Ca 0.46 -1.42 -0.30 0.00 -1.71 0.00 0.00 55.69 52.73 3pva s MET 77 Cb -0.23 -1.96 0.11 0.00 2.01 0.00 0.00 34.83 34.77 3pva s MET 77 CO 0.29 0.42 1.21 0.20 -0.01 0.00 0.00 175.02 177.12 3pva s GLY 78 N -2.64 -0.37 0.07 -0.03 0.00 -0.95 -0.28 107.32 103.12 3pva s GLY 78 Ca 0.21 0.73 -0.19 0.00 0.00 0.00 0.00 44.72 45.47 3pva s GLY 78 CO 0.11 0.16 0.44 0.00 0.00 0.00 0.00 173.10 173.81 3pva s ALA 79 N -2.60 -1.08 -0.21 3.20 0.00 -0.61 -1.53 121.76 118.93 3pva s ALA 79 Ca 0.13 0.30 -0.15 0.00 0.00 0.00 0.00 51.96 52.23 3pva s ALA 79 Cb 0.03 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 3pva s ALA 79 CO -0.03 -0.52 0.38 -1.64 0.00 0.00 0.00 175.76 173.95 3pva s MET 80 N -2.82 4.16 0.16 0.00 -1.94 -0.02 -2.31 119.30 116.52 3pva s MET 80 Ca -0.03 0.17 0.07 0.00 -1.71 0.00 0.00 55.69 54.18 3pva s MET 80 Cb -0.00 -3.54 -0.04 0.00 2.01 0.00 0.00 34.83 33.25 3pva s MET 80 CO -0.05 -0.05 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.25 3pva s LEU 81 N 1.34 2.46 0.54 -0.03 1.02 -0.60 -4.92 118.68 118.50 3pva s LEU 81 Ca 0.18 -0.90 -0.21 0.00 0.02 0.00 0.00 54.13 53.23 3pva s LEU 81 Cb -0.15 -0.65 -0.05 0.00 0.02 0.00 0.00 46.19 45.36 3pva s LEU 81 CO 0.08 -0.13 1.25 -0.47 0.02 0.00 0.00 176.35 177.09 3pva s TYR 82 N -2.42 2.48 -0.38 0.29 5.04 -1.26 -0.08 117.35 121.02 3pva s TYR 82 Ca 0.15 1.47 0.12 0.00 -2.44 0.00 0.00 57.07 56.37 3pva s TYR 82 Cb -0.03 -3.56 0.38 0.00 0.35 0.00 0.00 41.96 39.09 3pva s TYR 82 CO 0.05 -2.26 0.99 0.98 -1.34 0.00 0.00 175.55 173.97 3pva n TYR 83 N -1.10 -0.78 -1.63 4.97 9.36 0.25 -4.12 117.16 124.11 3pva n TYR 83 Ca 0.11 -2.81 -0.43 0.00 3.32 0.00 0.00 57.90 58.09 3pva n TYR 83 Cb 0.48 0.45 -0.01 0.00 -0.63 0.00 0.00 39.34 39.63 3pva n TYR 83 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3pva n ALA 84 N 0.05 0.32 0.00 2.98 0.00 -1.26 -1.48 120.51 121.12 3pva n ALA 84 Ca 0.11 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3pva n ALA 84 Cb 0.75 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3pva n ALA 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3pva n THR 85 N 0.05 0.00 0.00 0.00 -1.04 -1.26 -4.62 114.28 107.41 3pva n THR 85 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3pva n THR 85 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 3pva n THR 85 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3pva n PHE 86 N -1.99 0.00 -1.77 -1.42 3.72 -1.08 -5.03 117.46 109.89 3pva n PHE 86 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3pva n PHE 86 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 3pva n PHE 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3pva s ALA 87 N -1.99 3.90 -0.08 4.37 0.00 -0.55 -4.08 121.76 123.34 3pva s ALA 87 Ca 0.00 1.54 0.01 0.00 0.00 0.00 0.00 51.96 53.51 3pva s ALA 87 Cb 0.00 -3.69 0.02 0.00 0.00 0.00 0.00 23.12 19.45 3pva s ALA 87 CO 0.00 -0.91 -0.09 0.99 0.00 0.00 0.00 175.76 175.75 3pva s THR 88 N 1.27 0.97 0.04 0.00 2.01 0.94 -4.93 115.64 115.95 3pva s THR 88 Ca 0.74 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 62.49 3pva s THR 88 Cb -0.48 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 3pva s THR 88 CO 0.32 0.33 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.05 3pva s TYR 89 N 1.10 2.45 0.79 4.92 2.02 -1.26 -4.60 117.35 122.77 3pva s TYR 89 Ca -0.07 -0.33 -0.12 0.00 -0.37 0.00 0.00 57.07 56.18 3pva s TYR 89 Cb -0.14 -1.43 0.07 0.00 -0.40 0.00 0.00 41.96 40.06 3pva s TYR 89 CO -0.01 0.20 1.15 0.00 -1.57 0.00 0.00 175.55 175.32 3pva s ALA 90 N -0.87 2.61 -0.09 3.71 0.00 -0.92 -4.48 121.76 121.72 3pva s ALA 90 Ca 0.13 -0.53 -0.09 0.00 0.00 0.00 0.00 51.96 51.48 3pva s ALA 90 Cb -0.10 -2.99 -0.28 0.00 0.00 0.00 0.00 23.12 19.74 3pva s ALA 90 CO 0.04 -1.59 0.49 -0.44 0.00 0.00 0.00 175.76 174.26 3pva h ASP 91 N -0.99 0.50 -4.17 0.00 3.32 -1.96 -0.70 116.42 112.41 3pva h ASP 91 Ca -0.46 -0.95 -0.48 0.00 0.02 0.00 0.00 57.03 55.16 3pva h ASP 91 Cb 1.31 -0.16 -0.20 0.00 0.22 0.00 0.00 39.33 40.49 3pva h ASP 91 CO 0.65 1.83 -0.79 -1.61 -1.72 0.00 0.00 179.24 177.60 3pva s GLU 92 N -2.57 1.03 0.64 3.56 0.41 -1.26 -4.76 118.70 115.75 3pva s GLU 92 Ca -0.20 -1.14 -0.18 0.00 -0.41 0.00 0.00 54.97 53.04 3pva s GLU 92 Cb 0.06 -1.11 -0.02 0.00 -1.78 0.00 0.00 34.13 31.29 3pva s GLU 92 CO 0.80 0.24 1.18 -2.30 -0.49 0.00 0.00 175.26 174.69 3pva n PRO 93 N 0.93 1.00 -1.67 0.39 -0.02 -1.26 -4.97 135.00 129.41 3pva n PRO 93 Ca -0.18 0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 61.36 3pva n PRO 93 Cb 0.55 -2.41 0.06 0.00 -0.02 0.00 0.00 33.50 31.67 3pva n PRO 93 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3pva s LYS 94 N -3.20 2.70 -0.28 -0.52 -0.14 -1.26 -4.87 119.74 112.16 3pva s LYS 94 Ca 0.81 1.36 -0.39 0.00 -1.36 0.00 0.00 55.97 56.38 3pva s LYS 94 Cb -0.39 -1.94 -0.15 0.00 -1.68 0.00 0.00 37.83 33.68 3pva s LYS 94 CO 0.42 -1.33 1.84 0.36 -0.76 0.00 0.00 175.35 175.88 3pva n LYS 95 N -2.61 1.20 0.00 1.68 0.00 -1.26 -2.15 118.16 115.02 3pva n LYS 95 Ca 0.10 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 3pva n LYS 95 Cb 0.52 -2.18 0.00 0.00 -0.00 0.00 0.00 35.03 33.37 3pva n LYS 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3pva n GLY 96 N 4.66 2.83 3.56 2.58 0.00 -1.26 -5.05 105.19 112.51 3pva n GLY 96 Ca 0.29 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 3pva n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3pva n THR 97 N 0.00 0.00 -4.09 2.61 -2.24 -0.91 -5.02 114.28 104.63 3pva n THR 97 Ca 0.00 -0.19 -0.30 0.00 -2.27 0.00 0.00 64.05 61.29 3pva n THR 97 Cb 0.00 -0.94 -0.07 0.00 -2.10 0.00 0.00 70.33 67.22 3pva n THR 97 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3pva s THR 98 N -2.51 4.31 0.45 4.28 2.01 -0.28 -4.68 115.64 119.21 3pva s THR 98 Ca 0.66 -0.84 -0.21 0.00 0.31 0.00 0.00 61.69 61.60 3pva s THR 98 Cb -0.23 -3.06 -0.09 0.00 0.01 0.00 0.00 72.50 69.13 3pva s THR 98 CO 0.62 0.14 1.01 -0.83 -0.69 0.00 0.00 174.62 174.87 3pva s GLY 99 N -2.31 2.52 -0.00 4.40 0.00 -1.26 -0.73 107.32 109.93 3pva s GLY 99 Ca 0.27 0.56 0.01 0.00 0.00 0.00 0.00 44.72 45.56 3pva s GLY 99 CO 0.20 0.89 -0.03 -1.50 0.00 0.00 0.00 173.10 172.65 3pva s ILE 100 N -1.98 0.25 0.12 0.90 2.07 0.95 -4.51 121.20 119.00 3pva s ILE 100 Ca 0.64 -0.16 -0.30 0.00 -1.41 0.00 0.00 60.65 59.42 3pva s ILE 100 Cb -0.15 -0.22 -0.07 0.00 0.13 0.00 0.00 42.46 42.15 3pva s ILE 100 CO 0.19 0.06 1.16 0.21 -1.91 0.00 0.00 174.94 174.65 3pva s ASN 101 N -0.11 7.15 0.60 4.50 3.84 -0.03 -1.21 114.94 129.68 3pva s ASN 101 Ca 0.01 2.07 0.29 0.00 0.21 0.00 0.00 52.86 55.44 3pva s ASN 101 Cb -0.01 -2.59 1.59 0.00 -0.55 0.00 0.00 41.25 39.68 3pva s ASN 101 CO -0.00 -0.36 2.00 -0.65 -2.79 0.00 0.00 177.10 175.30 3pva h PRO 102 N 5.94 0.00 0.00 0.43 0.11 -1.87 0.46 132.00 137.07 3pva h PRO 102 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3pva h PRO 102 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3pva h PRO 102 CO 0.77 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.84 3pva h VAL 103 N 0.00 0.00 -0.02 3.15 2.07 -1.92 -3.22 116.25 116.31 3pva h VAL 103 Ca 0.13 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3pva h VAL 103 Cb 0.79 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3pva h VAL 103 CO -0.00 0.00 -0.21 -1.22 0.02 0.00 0.00 177.57 176.15 3pva n TYR 104 N -2.46 0.00 -0.12 1.57 4.01 0.15 -4.51 117.16 115.80 3pva n TYR 104 Ca 0.05 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.74 3pva n TYR 104 Cb 0.42 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.48 3pva n TYR 104 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3pva h VAL 105 N 2.54 0.74 -0.39 -0.72 2.07 -1.57 -1.80 116.25 117.13 3pva h VAL 105 Ca 0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3pva h VAL 105 Cb 0.65 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3pva h VAL 105 CO 0.00 0.03 0.16 0.40 0.02 0.00 0.00 177.57 178.18 3pva h ILE 106 N 0.15 1.19 -0.51 4.57 1.08 -1.82 0.17 117.51 122.34 3pva h ILE 106 Ca 0.19 -0.57 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 3pva h ILE 106 Cb 0.26 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 34.83 3pva h ILE 106 CO -0.29 0.21 0.32 0.28 -0.69 0.00 0.00 178.15 177.97 3pva h SER 107 N 0.48 0.60 -0.22 1.72 0.02 -1.76 0.63 113.55 115.02 3pva h SER 107 Ca 0.13 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3pva h SER 107 Cb 0.17 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3pva h SER 107 CO -0.01 0.45 0.09 1.56 -1.14 0.00 0.00 176.83 177.78 3pva h GLN 108 N 0.68 0.33 -0.20 3.45 1.08 -1.23 -1.00 115.11 118.23 3pva h GLN 108 Ca 0.18 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 3pva h GLN 108 Cb -0.05 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 3pva h GLN 108 CO -0.04 0.37 0.03 0.28 -0.95 0.00 0.00 178.83 178.52 3pva h VAL 109 N 0.21 1.23 -0.31 -0.54 2.07 -0.75 -2.72 116.25 115.43 3pva h VAL 109 Ca 0.07 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 3pva h VAL 109 Cb 0.16 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3pva h VAL 109 CO -0.01 0.24 -0.14 -0.07 0.02 0.00 0.00 177.57 177.61 3pva h LEU 110 N 0.12 0.52 -0.33 2.57 4.07 -0.87 0.07 115.31 121.47 3pva h LEU 110 Ca 0.06 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.88 3pva h LEU 110 Cb 0.33 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.93 3pva h LEU 110 CO 0.01 0.69 0.00 0.61 -1.08 0.00 0.00 178.44 178.67 3pva n GLY 111 N -0.57 -1.37 0.00 0.83 0.00 -0.38 -4.30 105.19 99.40 3pva n GLY 111 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3pva n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pva n ASN 112 N -2.05 0.08 -4.55 1.61 3.02 -0.90 -0.30 115.26 112.17 3pva n ASN 112 Ca 0.04 -0.57 -0.24 0.00 -0.03 0.00 0.00 54.58 53.78 3pva n ASN 112 Cb 0.29 0.07 -0.09 0.00 -0.61 0.00 0.00 39.78 39.44 3pva n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pva n VAL 114 N -0.76 0.49 -3.58 0.00 0.31 -1.26 -4.78 118.33 108.75 3pva n VAL 114 Ca -0.05 -0.11 -0.22 0.00 -0.01 0.00 0.00 64.34 63.95 3pva n VAL 114 Cb 0.60 -1.62 -0.02 0.00 -0.91 0.00 0.00 33.84 31.89 3pva n VAL 114 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3pva s THR 115 N -2.16 2.39 0.27 2.52 -4.23 -1.26 -4.28 115.64 108.89 3pva s THR 115 Ca -0.12 -1.34 -0.02 0.00 -1.18 0.00 0.00 61.69 59.04 3pva s THR 115 Cb 0.04 -2.73 0.13 0.00 1.34 0.00 0.00 72.50 71.28 3pva s THR 115 CO 0.15 0.00 1.79 -0.37 -0.54 0.00 0.00 174.62 175.65 3pva h VAL 116 N 0.88 1.23 -0.79 2.29 -1.51 -1.95 -1.75 116.25 114.66 3pva h VAL 116 Ca -0.39 -0.91 -0.03 0.00 -1.23 0.00 0.00 66.70 64.14 3pva h VAL 116 Cb 1.28 0.77 -0.04 0.00 -2.13 0.00 0.00 31.29 31.17 3pva h VAL 116 CO 0.56 0.33 0.38 0.44 -1.23 0.00 0.00 177.57 178.04 3pva h ASP 117 N 0.77 1.04 -0.71 4.19 3.32 -1.98 -1.21 116.42 121.84 3pva h ASP 117 Ca 0.16 -0.14 0.08 0.00 0.02 0.00 0.00 57.03 57.15 3pva h ASP 117 Cb 0.38 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.59 3pva h ASP 117 CO 0.01 0.88 0.38 0.44 -1.72 0.00 0.00 179.24 179.23 3pva h ASP 118 N 1.12 0.52 0.19 6.45 3.32 -1.71 -0.25 116.42 126.06 3pva h ASP 118 Ca 0.27 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 3pva h ASP 118 Cb 0.12 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3pva h ASP 118 CO -0.03 0.32 -0.14 0.58 -1.72 0.00 0.00 179.24 178.25 3pva h VAL 119 N 0.66 0.70 -0.75 -1.35 2.07 -0.97 0.11 116.25 116.72 3pva h VAL 119 Ca 0.34 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.92 3pva h VAL 119 Cb 0.30 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 3pva h VAL 119 CO -0.23 0.00 0.44 0.40 0.02 0.00 0.00 177.57 178.19 3pva h ILE 120 N -0.33 0.98 0.51 4.57 2.04 -0.78 -2.49 117.51 122.01 3pva h ILE 120 Ca -0.01 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3pva h ILE 120 Cb 0.29 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3pva h ILE 120 CO -0.00 0.14 -0.25 -0.08 0.00 0.00 0.00 178.15 177.97 3pva h GLU 121 N 0.79 -0.66 -0.75 2.37 4.81 -0.77 -3.21 114.58 117.16 3pva h GLU 121 Ca 0.34 0.05 0.15 0.00 -0.13 0.00 0.00 59.36 59.77 3pva h GLU 121 Cb 0.22 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 3pva h GLU 121 CO -0.19 -0.40 0.50 0.87 -0.73 0.00 0.00 179.01 179.06 3pva h LYS 122 N -0.77 0.37 0.00 1.92 1.79 -0.49 -2.02 116.57 117.37 3pva h LYS 122 Ca -0.07 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 3pva h LYS 122 Cb 0.56 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 3pva h LYS 122 CO 0.12 0.24 0.00 1.28 -1.08 0.00 0.00 179.45 180.01 3pva n LEU 123 N -4.47 0.38 0.22 2.94 4.32 -0.96 -3.30 117.00 116.13 3pva n LEU 123 Ca 0.14 0.56 0.15 0.00 -0.02 0.00 0.00 56.01 56.85 3pva n LEU 123 Cb 0.55 -0.48 0.57 0.00 -1.62 0.00 0.00 43.42 42.44 3pva n LEU 123 CO 0.33 -0.26 0.93 0.71 -1.22 0.00 0.00 177.39 177.88 3pva h THR 124 N 0.00 0.00 -0.71 -5.08 1.35 -1.44 -2.64 112.91 104.39 3pva h THR 124 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3pva h THR 124 Cb 0.46 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3pva h THR 124 CO 0.00 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.73 3pva n SER 125 N -2.80 3.82 -4.31 5.36 3.41 -1.21 -4.85 113.62 113.04 3pva n SER 125 Ca 0.02 -2.01 -0.18 0.00 -0.26 0.00 0.00 58.87 56.44 3pva n SER 125 Cb 0.31 -0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 63.68 3pva n SER 125 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3pva s TYR 126 N -1.07 1.59 -0.07 7.33 2.02 -1.00 -1.13 117.35 125.03 3pva s TYR 126 Ca 0.48 -0.60 -0.01 0.00 -0.37 0.00 0.00 57.07 56.57 3pva s TYR 126 Cb 0.25 -0.77 0.03 0.00 -0.40 0.00 0.00 41.96 41.07 3pva s TYR 126 CO 0.32 0.27 -0.01 0.99 -1.57 0.00 0.00 175.55 175.55 3pva s THR 127 N -2.84 0.48 -0.00 -0.71 2.01 0.09 -4.81 115.64 109.86 3pva s THR 127 Ca 0.19 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 3pva s THR 127 Cb -0.01 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 3pva s THR 127 CO 0.05 0.27 1.34 -0.76 -0.69 0.00 0.00 174.62 174.83 3pva s LEU 128 N 1.81 4.31 0.21 4.42 1.02 -1.26 -0.03 118.68 129.16 3pva s LEU 128 Ca 0.03 2.05 0.08 0.00 0.02 0.00 0.00 54.13 56.31 3pva s LEU 128 Cb -0.13 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 3pva s LEU 128 CO -0.05 -0.67 -0.01 -0.76 0.02 0.00 0.00 176.35 174.89 3pva s LEU 129 N 2.18 3.24 -1.30 1.79 1.43 -0.35 -2.17 118.68 123.51 3pva s LEU 129 Ca 0.62 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 53.13 3pva s LEU 129 Cb -0.30 -1.85 -0.08 0.00 0.03 0.00 0.00 46.19 43.99 3pva s LEU 129 CO 0.26 0.06 2.64 -3.20 0.23 0.00 0.00 176.35 176.33 3pva n ASN 130 N -0.41 7.13 -4.70 2.29 2.85 -0.27 -4.34 115.26 117.81 3pva n ASN 130 Ca -0.09 -2.46 -0.36 0.00 -0.11 0.00 0.00 54.58 51.56 3pva n ASN 130 Cb 0.57 -1.37 -0.08 0.00 1.24 0.00 0.00 39.78 40.14 3pva n ASN 130 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 3pva s GLU 131 N 2.63 4.15 0.99 1.20 2.12 -1.26 -4.90 118.70 123.63 3pva s GLU 131 Ca 0.57 -0.19 -0.17 0.00 0.36 0.00 0.00 54.97 55.55 3pva s GLU 131 Cb 0.15 -3.47 0.23 0.00 0.26 0.00 0.00 34.13 31.30 3pva s GLU 131 CO -0.05 0.19 1.34 0.00 -0.54 0.00 0.00 175.26 176.20 3pva n ALA 132 N 3.86 -1.58 -3.14 6.30 0.00 -1.26 -4.18 120.51 120.50 3pva n ALA 132 Ca -0.15 -1.75 -0.12 0.00 0.00 0.00 0.00 53.44 51.43 3pva n ALA 132 Cb 0.52 -0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 3pva n ALA 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3pva s ASN 133 N -5.88 -0.06 0.00 0.00 4.22 -1.24 -4.85 114.94 107.13 3pva s ASN 133 Ca 0.76 -0.07 0.16 0.00 -2.14 0.00 0.00 52.86 51.57 3pva s ASN 133 Cb -0.02 0.26 0.77 0.00 1.28 0.00 0.00 41.25 43.54 3pva s ASN 133 CO 0.53 -0.36 1.46 2.30 -2.04 0.00 0.00 177.10 178.99 3pva n ILE 134 N 1.55 0.62 -0.07 0.54 -5.35 -1.26 -0.31 119.36 115.08 3pva n ILE 134 Ca -0.21 0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.29 3pva n ILE 134 Cb 0.56 -0.89 -0.11 0.00 -1.74 0.00 0.00 39.64 37.45 3pva n ILE 134 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 3pva h ILE 135 N 0.00 1.51 0.00 7.28 1.08 -1.95 -3.39 117.51 122.03 3pva h ILE 135 Ca 0.00 -2.18 -0.19 0.00 -0.39 0.00 0.00 64.86 62.10 3pva h ILE 135 Cb 0.17 2.90 -0.04 0.00 -3.07 0.00 0.00 36.82 36.78 3pva h ILE 135 CO 0.00 0.51 -1.94 0.18 -0.69 0.00 0.00 178.15 176.21 3pva n LEU 136 N -4.61 0.30 0.00 1.44 4.32 -1.20 -4.98 117.00 112.28 3pva n LEU 136 Ca -0.11 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 3pva n LEU 136 Cb 0.45 0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.46 3pva n LEU 136 CO 0.29 0.23 0.00 0.61 -1.22 0.00 0.00 177.39 177.30 3pva n GLY 137 N 1.48 0.88 3.53 -0.72 0.00 0.58 -5.00 105.19 105.95 3pva n GLY 137 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 3pva n GLY 137 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3pva s PHE 138 N -2.85 0.45 -0.43 1.61 -0.71 -1.24 -4.69 117.98 110.12 3pva s PHE 138 Ca 0.00 -0.79 -0.22 0.00 -1.04 0.00 0.00 56.93 54.87 3pva s PHE 138 Cb 0.00 0.10 0.02 0.00 -1.21 0.00 0.00 43.02 41.93 3pva s PHE 138 CO 0.00 -0.94 0.75 0.00 -1.34 0.00 0.00 175.22 173.68 3pva s ALA 139 N -4.03 3.33 0.43 1.99 0.00 -1.26 -3.69 121.76 118.52 3pva s ALA 139 Ca 0.24 -0.99 -0.26 0.00 0.00 0.00 0.00 51.96 50.95 3pva s ALA 139 Cb 0.00 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 3pva s ALA 139 CO 0.09 -1.80 1.41 -1.25 0.00 0.00 0.00 175.76 174.20 3pva s PRO 140 N 3.14 3.81 -0.26 0.00 0.04 -1.26 -4.94 135.00 135.53 3pva s PRO 140 Ca 0.28 2.38 -0.29 0.00 0.04 0.00 0.00 61.00 63.41 3pva s PRO 140 Cb -0.13 -2.73 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 3pva s PRO 140 CO 0.21 -0.70 1.44 -1.25 0.04 0.00 0.00 177.00 176.73 3pva s PRO 141 N -2.35 3.87 0.09 0.56 0.04 -1.26 -4.96 135.00 131.00 3pva s PRO 141 Ca 0.59 1.44 0.04 0.00 0.04 0.00 0.00 61.00 63.10 3pva s PRO 141 Cb -0.43 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.14 3pva s PRO 141 CO 0.56 -1.18 -0.11 -0.51 0.04 0.00 0.00 177.00 175.79 3pva s LEU 142 N 4.70 2.36 0.30 -3.56 1.02 -1.26 -0.58 118.68 121.65 3pva s LEU 142 Ca 0.63 -0.74 0.06 0.00 0.02 0.00 0.00 54.13 54.09 3pva s LEU 142 Cb -0.20 -0.35 -0.06 0.00 0.02 0.00 0.00 46.19 45.59 3pva s LEU 142 CO 0.25 -0.20 -0.02 -1.38 0.02 0.00 0.00 176.35 175.02 3pva s HIS 143 N -2.04 1.97 0.06 0.29 -3.43 0.88 -4.49 115.29 108.54 3pva s HIS 143 Ca 0.02 -0.78 0.06 0.00 -0.80 0.00 0.00 55.06 53.56 3pva s HIS 143 Cb -0.05 -1.19 -0.03 0.00 -1.43 0.00 0.00 32.58 29.88 3pva s HIS 143 CO 0.01 0.20 -0.17 0.71 -2.00 0.00 0.00 174.74 173.49 3pva s TYR 144 N -3.09 1.44 0.00 0.38 1.51 -0.42 -1.56 117.35 115.60 3pva s TYR 144 Ca 0.32 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 56.01 3pva s TYR 144 Cb 0.06 -0.83 -0.01 0.00 -0.11 0.00 0.00 41.96 41.07 3pva s TYR 144 CO 0.13 0.09 -0.11 -0.08 -1.11 0.00 0.00 175.55 174.47 3pva s THR 145 N -1.03 0.88 0.01 -0.71 -1.32 -0.98 -0.90 115.64 111.60 3pva s THR 145 Ca 0.03 -0.57 0.01 0.00 -1.21 0.00 0.00 61.69 59.95 3pva s THR 145 Cb -0.09 -0.76 -0.01 0.00 -1.51 0.00 0.00 72.50 70.14 3pva s THR 145 CO 0.02 0.18 -0.03 -0.36 -2.21 0.00 0.00 174.62 172.23 3pva s PHE 146 N -0.38 0.25 -0.04 9.09 0.08 -1.12 -1.58 117.98 124.29 3pva s PHE 146 Ca 0.03 -0.17 -0.01 0.00 0.12 0.00 0.00 56.93 56.90 3pva s PHE 146 Cb -0.05 -0.16 0.03 0.00 -0.57 0.00 0.00 43.02 42.27 3pva s PHE 146 CO -0.00 -0.04 0.04 0.99 -0.10 0.00 0.00 175.22 176.11 3pva s THR 147 N -0.43 0.00 1.03 0.64 2.01 0.62 -1.05 115.64 118.47 3pva s THR 147 Ca -0.03 0.32 -0.12 0.00 0.31 0.00 0.00 61.69 62.17 3pva s THR 147 Cb -0.03 -0.21 0.21 0.00 0.01 0.00 0.00 72.50 72.47 3pva s THR 147 CO -0.00 0.18 1.07 -1.81 -0.69 0.00 0.00 174.62 173.37 3pva s ASP 148 N 1.86 2.13 0.36 3.53 1.01 -0.59 0.84 116.67 125.81 3pva s ASP 148 Ca 0.01 1.64 0.08 0.00 0.71 0.00 0.00 52.55 54.99 3pva s ASP 148 Cb -0.12 -2.30 0.69 0.00 1.01 0.00 0.00 42.92 42.20 3pva s ASP 148 CO -0.03 -3.50 1.87 0.00 0.21 0.00 0.00 175.17 173.71 3pva h ALA 149 N -2.14 1.41 0.00 5.23 0.00 -1.80 -0.00 119.26 121.95 3pva h ALA 149 Ca -0.54 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.11 3pva h ALA 149 Cb 1.31 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3pva h ALA 149 CO 0.50 0.41 -0.09 0.66 0.00 0.00 0.00 179.25 180.73 3pva h SER 150 N 0.27 0.00 0.00 0.00 4.64 -1.93 -3.41 113.55 113.12 3pva h SER 150 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3pva h SER 150 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3pva h SER 150 CO 0.03 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 3pva n GLY 151 N -0.27 0.62 3.72 -0.77 0.00 -0.02 -5.02 105.19 103.46 3pva n GLY 151 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3pva n GLY 151 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pva s GLU 152 N -0.99 4.62 0.01 1.61 2.12 -1.26 -4.82 118.70 119.99 3pva s GLU 152 Ca 0.00 1.51 0.08 0.00 0.36 0.00 0.00 54.97 56.92 3pva s GLU 152 Cb 0.00 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 3pva s GLU 152 CO 0.00 0.08 -0.25 -1.12 -0.54 0.00 0.00 175.26 173.43 3pva s SER 153 N 0.34 3.00 0.36 -1.70 0.01 -1.26 -1.55 113.70 112.90 3pva s SER 153 Ca 0.50 -0.51 0.04 0.00 1.31 0.00 0.00 55.95 57.28 3pva s SER 153 Cb -0.24 -0.31 -0.05 0.00 0.21 0.00 0.00 66.02 65.63 3pva s SER 153 CO 0.30 0.28 0.07 0.27 0.41 0.00 0.00 173.24 174.57 3pva s ILE 154 N -0.68 1.10 -0.05 1.44 -4.36 -0.22 -2.32 121.20 116.10 3pva s ILE 154 Ca 0.10 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.49 3pva s ILE 154 Cb -0.10 -2.66 0.03 0.00 1.25 0.00 0.00 42.46 40.98 3pva s ILE 154 CO 0.00 0.00 -0.00 -0.69 0.24 0.00 0.00 174.94 174.49 3pva s VAL 155 N -3.21 0.32 -0.21 8.37 1.01 -0.86 -2.77 120.40 123.04 3pva s VAL 155 Ca 0.31 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 3pva s VAL 155 Cb 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 3pva s VAL 155 CO 0.15 0.22 -0.05 -0.63 0.00 0.00 0.00 175.10 174.78 3pva s ILE 156 N 1.51 3.34 -0.21 2.22 1.01 -0.08 -1.02 121.20 127.97 3pva s ILE 156 Ca -0.02 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.13 3pva s ILE 156 Cb -0.13 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 39.86 3pva s ILE 156 CO -0.03 0.44 -0.15 -1.61 0.00 0.00 0.00 174.94 173.58 3pva s GLU 157 N 1.34 2.75 -1.18 2.79 2.02 0.58 -1.30 118.70 125.70 3pva s GLU 157 Ca 0.04 -1.00 -0.21 0.00 0.02 0.00 0.00 54.97 53.82 3pva s GLU 157 Cb -0.14 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 31.37 3pva s GLU 157 CO -0.03 -0.34 1.76 -1.25 0.02 0.00 0.00 175.26 175.42 3pva s PRO 158 N 1.24 3.39 0.79 0.39 0.04 -1.26 0.13 135.00 139.72 3pva s PRO 158 Ca 0.00 -1.47 -0.09 0.00 0.04 0.00 0.00 61.00 59.48 3pva s PRO 158 Cb -0.16 -5.39 0.10 0.00 0.04 0.00 0.00 34.50 29.10 3pva s PRO 158 CO -0.09 -2.81 1.12 -0.51 0.04 0.00 0.00 177.00 174.74 3pva s ASP 159 N 5.31 4.34 0.23 6.66 1.01 -0.75 -0.04 116.67 133.42 3pva s ASP 159 Ca 0.58 0.42 -0.08 0.00 0.71 0.00 0.00 52.55 54.18 3pva s ASP 159 Cb 0.01 -0.88 0.27 0.00 1.01 0.00 0.00 42.92 43.33 3pva s ASP 159 CO 0.05 -1.94 1.85 0.50 0.21 0.00 0.00 175.17 175.84 3pva h LYS 160 N -0.92 0.88 -0.22 8.23 3.64 -1.89 0.04 116.57 126.32 3pva h LYS 160 Ca -0.44 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3pva h LYS 160 Cb 1.30 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3pva h LYS 160 CO 0.55 0.58 0.00 0.25 -2.27 0.00 0.00 179.45 178.56 3pva n THR 161 N -4.65 0.16 0.00 1.00 -2.24 -1.26 -5.01 114.28 102.27 3pva n THR 161 Ca 0.10 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3pva n THR 161 Cb 0.14 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 3pva n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3pva n GLY 162 N 0.56 1.05 3.68 3.38 0.00 -0.00 -4.98 105.19 108.89 3pva n GLY 162 Ca 0.03 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 3pva n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pva s ILE 163 N -1.25 2.62 -0.17 -0.61 -1.09 -1.26 -1.82 121.20 117.62 3pva s ILE 163 Ca 0.00 0.01 -0.07 0.00 -2.23 0.00 0.00 60.65 58.36 3pva s ILE 163 Cb 0.00 -3.01 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 3pva s ILE 163 CO 0.00 -0.00 0.05 -0.89 -1.23 0.00 0.00 174.94 172.87 3pva s THR 164 N 3.19 4.67 -0.12 2.92 2.01 0.12 -4.91 115.64 123.52 3pva s THR 164 Ca 0.83 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.75 3pva s THR 164 Cb -0.46 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 3pva s THR 164 CO 0.38 0.47 -0.09 -0.63 -0.69 0.00 0.00 174.62 174.07 3pva s ILE 165 N 0.30 3.49 -0.23 1.82 -1.09 -1.26 -0.31 121.20 123.92 3pva s ILE 165 Ca 0.03 -0.52 -0.01 0.00 -2.23 0.00 0.00 60.65 57.91 3pva s ILE 165 Cb -0.13 -2.47 0.02 0.00 -1.58 0.00 0.00 42.46 38.30 3pva s ILE 165 CO 0.01 0.54 -0.10 -1.00 -1.23 0.00 0.00 174.94 173.16 3pva s HIS 166 N 0.00 2.98 0.10 3.97 3.76 -0.19 -4.99 115.29 120.93 3pva s HIS 166 Ca -0.02 -1.50 -0.04 0.00 -0.15 0.00 0.00 55.06 53.35 3pva s HIS 166 Cb -0.14 -2.02 -0.05 0.00 1.11 0.00 0.00 32.58 31.48 3pva s HIS 166 CO 0.03 -0.72 0.33 1.03 -0.85 0.00 0.00 174.74 174.56 3pva s ARG 167 N 1.33 3.58 -0.19 1.40 0.52 -1.26 -2.03 118.95 122.30 3pva s ARG 167 Ca 0.02 -0.15 -0.17 0.00 -0.52 0.00 0.00 55.73 54.91 3pva s ARG 167 Cb -0.15 -2.93 0.03 0.00 0.52 0.00 0.00 34.95 32.41 3pva s ARG 167 CO -0.06 0.53 0.29 0.36 0.02 0.00 0.00 175.30 176.43 3pva n LYS 168 N 0.31 -0.83 -1.75 3.54 2.85 -0.98 -4.96 118.16 116.34 3pva n LYS 168 Ca -0.04 0.61 -0.12 0.00 -1.05 0.00 0.00 58.31 57.70 3pva n LYS 168 Cb 0.52 -0.85 0.06 0.00 -0.65 0.00 0.00 35.03 34.10 3pva n LYS 168 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3pva n THR 169 N -0.09 0.00 1.61 0.58 -2.24 -1.00 -4.98 114.28 108.16 3pva n THR 169 Ca -0.04 -0.88 0.13 0.00 -2.27 0.00 0.00 64.05 60.99 3pva n THR 169 Cb 0.30 -1.03 0.78 0.00 -2.10 0.00 0.00 70.33 68.28 3pva n THR 169 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3pva n ILE 170 N -2.04 0.03 -2.51 2.28 -5.35 -1.26 -4.75 119.36 105.75 3pva n ILE 170 Ca 0.09 0.01 -0.05 0.00 -0.27 0.00 0.00 62.75 62.52 3pva n ILE 170 Cb 0.31 -0.58 0.01 0.00 -1.74 0.00 0.00 39.64 37.64 3pva n ILE 170 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3pva n GLY 171 N 0.73 0.44 3.00 3.28 0.00 -1.26 -4.89 105.19 106.49 3pva n GLY 171 Ca 0.19 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 3pva n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pva s VAL 172 N -2.77 0.50 -0.28 1.61 1.01 -1.26 -1.22 120.40 117.99 3pva s VAL 172 Ca 0.09 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 3pva s VAL 172 Cb -0.04 -0.48 0.12 0.00 0.00 0.00 0.00 36.38 35.98 3pva s VAL 172 CO 0.11 -0.06 0.88 -0.32 0.00 0.00 0.00 175.10 175.71 3pva s MET 173 N -0.67 0.52 0.00 2.72 1.75 0.13 -4.95 119.30 118.80 3pva s MET 173 Ca -0.02 0.85 0.00 0.00 -1.25 0.00 0.00 55.69 55.27 3pva s MET 173 Cb -0.05 0.14 0.00 0.00 2.84 0.00 0.00 34.83 37.76 3pva s MET 173 CO 0.00 -0.10 0.00 0.25 -0.65 0.00 0.00 175.02 174.52 3pva n THR 174 N 3.64 0.00 -1.83 10.11 -2.24 -1.26 0.10 114.28 122.81 3pva n THR 174 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3pva n THR 174 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3pva n THR 174 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3pva n ASN 175 N 0.00 0.18 -4.75 3.42 4.13 -1.25 -4.72 115.26 112.27 3pva n ASN 175 Ca 0.00 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.94 3pva n ASN 175 Cb 0.00 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 38.33 3pva n ASN 175 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3pva s SER 176 N 0.40 4.41 0.00 6.41 0.01 -1.26 -4.75 113.70 118.92 3pva s SER 176 Ca 0.00 2.04 0.00 0.00 1.31 0.00 0.00 55.95 59.30 3pva s SER 176 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3pva s SER 176 CO 0.00 -2.10 0.00 -0.81 0.41 0.00 0.00 173.24 170.74 3pva n PRO 177 N -3.09 3.06 -1.59 12.44 -0.04 -1.26 -4.36 135.00 140.16 3pva n PRO 177 Ca 0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.24 3pva n PRO 177 Cb 0.52 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.05 3pva n PRO 177 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3pva s GLY 178 N 0.00 2.15 0.17 0.55 0.00 -1.26 -4.86 107.32 104.07 3pva s GLY 178 Ca 0.00 0.62 -0.15 0.00 0.00 0.00 0.00 44.72 45.19 3pva s GLY 178 CO 0.00 0.99 1.69 -1.82 0.00 0.00 0.00 173.10 173.95 3pva h TYR 179 N -0.22 -0.06 -0.84 1.90 3.20 -1.99 -0.54 116.97 118.44 3pva h TYR 179 Ca -0.47 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.49 3pva h TYR 179 Cb 1.26 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.57 3pva h TYR 179 CO 0.53 -0.11 0.55 1.49 -1.64 0.00 0.00 178.16 178.98 3pva h GLU 180 N 0.09 0.94 0.01 1.82 4.81 -1.99 -0.86 114.58 119.41 3pva h GLU 180 Ca 0.22 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3pva h GLU 180 Cb 0.32 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3pva h GLU 180 CO -0.37 0.62 -0.09 2.35 -0.73 0.00 0.00 179.01 180.78 3pva h TRP 181 N 0.97 -0.24 -0.64 0.92 7.01 -1.46 -1.18 115.95 121.33 3pva h TRP 181 Ca 0.35 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.35 3pva h TRP 181 Cb 0.15 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.28 3pva h TRP 181 CO -0.00 -0.15 0.39 0.45 -2.79 0.00 0.00 178.44 176.34 3pva h HIS 182 N -0.17 0.84 -0.81 2.65 3.86 -1.26 -0.87 115.15 119.38 3pva h HIS 182 Ca 0.03 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 3pva h HIS 182 Cb 0.21 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 3pva h HIS 182 CO -0.15 0.56 0.37 0.37 0.86 0.00 0.00 177.93 179.94 3pva h GLN 183 N 0.87 1.18 -0.55 2.45 4.15 -0.96 -1.90 115.11 120.35 3pva h GLN 183 Ca 0.23 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 3pva h GLN 183 Cb -0.04 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.42 3pva h GLN 183 CO -0.04 0.93 0.19 1.15 -1.93 0.00 0.00 178.83 179.13 3pva h THR 184 N 1.16 1.23 -0.81 2.39 2.02 -1.03 -3.10 112.91 114.77 3pva h THR 184 Ca 0.28 -0.74 0.12 0.00 0.77 0.00 0.00 66.41 66.83 3pva h THR 184 Cb 0.15 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 3pva h THR 184 CO -0.03 0.28 0.53 -1.13 0.37 0.00 0.00 175.52 175.54 3pva h ASN 185 N 0.75 0.60 -0.94 4.18 -0.00 -0.39 -0.97 115.58 118.81 3pva h ASN 185 Ca 0.18 0.03 0.28 0.00 -0.00 0.00 0.00 56.30 56.79 3pva h ASN 185 Cb 0.24 -0.10 -0.15 0.00 -0.00 0.00 0.00 38.32 38.31 3pva h ASN 185 CO -0.01 0.33 0.36 -0.07 -0.00 0.00 0.00 177.43 178.05 3pva h LEU 186 N 0.66 0.17 -1.76 0.34 3.38 -1.34 -1.90 115.31 114.85 3pva h LEU 186 Ca 0.39 0.21 0.11 0.00 0.09 0.00 0.00 57.88 58.68 3pva h LEU 186 Cb 0.61 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 3pva h LEU 186 CO -0.16 -0.19 0.38 0.03 0.09 0.00 0.00 178.44 178.59 3pva h ARG 187 N 0.22 0.26 0.00 1.13 3.08 -1.33 -1.04 114.38 116.69 3pva h ARG 187 Ca 0.65 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.68 3pva h ARG 187 Cb 1.41 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.40 3pva h ARG 187 CO -0.67 0.17 0.00 0.00 -1.07 0.00 0.00 179.97 178.40 3pva n ALA 188 N -2.56 1.71 -0.77 0.04 0.00 -0.72 -3.52 120.51 114.69 3pva n ALA 188 Ca 0.09 0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.69 3pva n ALA 188 Cb 0.43 -1.40 0.16 0.00 0.00 0.00 0.00 19.45 18.64 3pva n ALA 188 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3pva n TYR 189 N -2.28 0.39 0.17 0.00 4.02 -0.40 -4.75 117.16 114.31 3pva n TYR 189 Ca 0.02 -0.82 0.07 0.00 -0.01 0.00 0.00 57.90 57.16 3pva n TYR 189 Cb 0.25 -0.18 0.35 0.00 -0.02 0.00 0.00 39.34 39.74 3pva n TYR 189 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3pva n ILE 190 N -0.73 1.34 1.37 -0.72 -5.35 -1.19 -1.21 119.36 112.87 3pva n ILE 190 Ca 0.15 0.54 0.14 0.00 -0.27 0.00 0.00 62.75 63.31 3pva n ILE 190 Cb 0.64 -1.51 0.57 0.00 -1.74 0.00 0.00 39.64 37.61 3pva n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3pva n GLY 191 N -1.07 -0.89 3.55 3.28 0.00 -1.26 -4.69 105.19 104.11 3pva n GLY 191 Ca 0.00 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 3pva n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pva s VAL 192 N -2.49 3.71 0.38 1.61 1.01 -0.35 -4.78 120.40 119.50 3pva s VAL 192 Ca 0.28 0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.63 3pva s VAL 192 Cb 0.20 -4.87 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 3pva s VAL 192 CO 0.48 -1.81 0.09 0.42 0.00 0.00 0.00 175.10 174.28 3pva s THR 193 N 5.89 0.92 0.12 3.92 -4.23 0.06 -4.90 115.64 117.41 3pva s THR 193 Ca 0.37 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.18 3pva s THR 193 Cb -0.08 -2.54 0.34 0.00 1.34 0.00 0.00 72.50 71.55 3pva s THR 193 CO 0.14 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.50 3pva h PRO 194 N 1.91 0.00 -6.21 3.99 0.11 -1.94 -3.11 132.00 126.75 3pva h PRO 194 Ca -0.39 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.15 3pva h PRO 194 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 3pva h PRO 194 CO 0.64 0.08 -0.09 -0.80 -0.21 0.00 0.00 178.00 177.61 3pva s ASN 195 N -5.88 6.92 0.46 -2.05 -0.87 -1.26 -4.64 114.94 107.62 3pva s ASN 195 Ca 0.01 1.12 -0.23 0.00 -1.57 0.00 0.00 52.86 52.19 3pva s ASN 195 Cb 0.09 -2.31 -0.07 0.00 -0.02 0.00 0.00 41.25 38.95 3pva s ASN 195 CO 0.58 0.23 1.20 -2.16 -2.57 0.00 0.00 177.10 174.37 3pva s PRO 196 N -1.41 3.71 0.55 -0.60 0.04 -1.26 -3.62 135.00 132.41 3pva s PRO 196 Ca 0.31 1.86 -0.20 0.00 0.04 0.00 0.00 61.00 63.01 3pva s PRO 196 Cb -0.17 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 3pva s PRO 196 CO 0.18 -0.62 1.21 -1.25 0.04 0.00 0.00 177.00 176.56 3pva s PRO 197 N -2.67 3.20 0.57 0.56 0.04 -1.26 -4.92 135.00 130.51 3pva s PRO 197 Ca 0.64 1.84 -0.19 0.00 0.04 0.00 0.00 61.00 63.33 3pva s PRO 197 Cb -0.31 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 3pva s PRO 197 CO 0.38 -1.03 1.14 -0.65 0.04 0.00 0.00 177.00 176.87 3pva s GLN 198 N -3.15 3.22 0.58 4.56 -0.21 -1.26 -4.93 119.66 118.48 3pva s GLN 198 Ca 0.73 1.62 -0.18 0.00 0.02 0.00 0.00 55.36 57.56 3pva s GLN 198 Cb -0.30 -1.99 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 3pva s GLN 198 CO 0.34 -0.96 1.11 -0.51 -2.12 0.00 0.00 175.29 173.15 3pva s ASP 199 N -1.84 5.56 0.37 5.90 1.01 -1.26 -5.02 116.67 121.38 3pva s ASP 199 Ca 0.73 2.06 0.03 0.00 0.71 0.00 0.00 52.55 56.08 3pva s ASP 199 Cb -0.25 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.11 3pva s ASP 199 CO 0.30 -1.33 0.12 2.30 0.21 0.00 0.00 175.17 176.77 3pva n ILE 200 N -1.74 0.00 -4.19 0.77 -5.35 -1.05 -5.02 119.36 102.77 3pva n ILE 200 Ca 0.11 -2.10 -0.16 0.00 -0.27 0.00 0.00 62.75 60.33 3pva n ILE 200 Cb 0.52 0.72 -0.11 0.00 -1.74 0.00 0.00 39.64 39.03 3pva n ILE 200 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3pva s MET 201 N -3.39 0.89 -0.38 6.28 -1.94 -1.26 -1.93 119.30 117.57 3pva s MET 201 Ca 0.17 -1.15 0.01 0.00 -1.71 0.00 0.00 55.69 53.00 3pva s MET 201 Cb 0.01 -0.68 0.12 0.00 2.01 0.00 0.00 34.83 36.29 3pva s MET 201 CO 0.12 0.12 0.19 -1.64 -0.01 0.00 0.00 175.02 173.80 3pva s MET 202 N -2.60 0.93 7.92 2.03 -1.94 -0.10 -4.96 119.30 120.58 3pva s MET 202 Ca 0.05 -1.54 0.00 0.00 -1.71 0.00 0.00 55.69 52.49 3pva s MET 202 Cb -0.05 -1.98 0.00 0.00 2.01 0.00 0.00 34.83 34.82 3pva s MET 202 CO 0.01 -1.11 0.00 0.41 -0.01 0.00 0.00 175.02 174.32 3pva n GLY 203 N 4.09 3.34 0.78 -0.03 0.00 -1.26 -0.94 105.19 111.17 3pva n GLY 203 Ca 0.06 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.06 3pva n GLY 203 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3pva n ASP 204 N 8.73 2.41 -4.69 1.61 8.00 -1.26 -4.91 116.55 126.43 3pva n ASP 204 Ca 0.00 -1.80 -0.40 0.00 0.71 0.00 0.00 54.79 53.30 3pva n ASP 204 Cb 0.00 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.02 3pva n ASP 204 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3pva s LEU 205 N -1.90 4.25 -0.16 0.64 0.20 -0.12 -5.04 118.68 116.55 3pva s LEU 205 Ca 0.33 1.15 -0.23 0.00 0.69 0.00 0.00 54.13 56.08 3pva s LEU 205 Cb 0.20 -3.13 -0.03 0.00 -0.43 0.00 0.00 46.19 42.81 3pva s LEU 205 CO 0.31 -0.24 0.69 -1.81 -0.29 0.00 0.00 176.35 175.01 3pva s ASP 206 N 0.99 6.83 -0.18 3.68 1.01 -1.26 -0.93 116.67 126.81 3pva s ASP 206 Ca 0.37 1.01 -0.01 0.00 0.71 0.00 0.00 52.55 54.63 3pva s ASP 206 Cb -0.17 -2.39 -0.00 0.00 1.01 0.00 0.00 42.92 41.37 3pva s ASP 206 CO 0.16 -0.26 -0.11 -0.76 0.21 0.00 0.00 175.17 174.40 3pva s LEU 207 N 1.65 2.63 0.06 1.23 1.43 -0.81 -4.99 118.68 119.87 3pva s LEU 207 Ca 0.33 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3pva s LEU 207 Cb -0.16 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3pva s LEU 207 CO 0.13 0.05 -0.06 0.28 0.23 0.00 0.00 176.35 176.98 3pva s THR 208 N 1.06 0.47 0.87 5.49 -1.32 -1.26 -2.54 115.64 118.40 3pva s THR 208 Ca -0.00 -1.49 -0.12 0.00 -1.21 0.00 0.00 61.69 58.87 3pva s THR 208 Cb -0.15 -1.10 0.10 0.00 -1.51 0.00 0.00 72.50 69.85 3pva s THR 208 CO -0.02 -0.69 1.08 -2.65 -2.21 0.00 0.00 174.62 170.13 3pva n PRO 209 N 0.71 -0.15 0.18 7.08 -0.02 -1.26 -4.90 135.00 136.63 3pva n PRO 209 Ca -0.18 0.03 0.03 0.00 -2.02 0.00 0.00 63.50 61.36 3pva n PRO 209 Cb 0.58 -2.33 0.39 0.00 -0.02 0.00 0.00 33.50 32.12 3pva n PRO 209 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3pva h PHE 210 N -1.40 0.07 0.00 6.00 0.04 -2.04 -3.47 116.94 116.14 3pva h PHE 210 Ca -0.44 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.31 3pva h PHE 210 Cb 1.29 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.42 3pva h PHE 210 CO 0.47 0.34 0.00 0.41 -0.60 0.00 0.00 178.31 178.93 3pva n GLY 211 N -0.65 -0.15 3.86 -1.45 0.00 -1.26 -5.16 105.19 100.37 3pva n GLY 211 Ca -0.02 0.56 -0.26 0.00 0.00 0.00 0.00 46.02 46.31 3pva n GLY 211 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3pva s GLN 212 N 2.39 2.28 0.00 1.61 2.00 -1.26 -4.85 119.66 121.82 3pva s GLN 212 Ca 0.00 -1.97 0.00 0.00 -2.00 0.00 0.00 55.36 51.39 3pva s GLN 212 Cb 0.00 -2.06 0.00 0.00 0.80 0.00 0.00 33.01 31.75 3pva s GLN 212 CO 0.00 -0.46 0.00 0.41 -0.50 0.00 0.00 175.29 174.74 3pva n GLY 213 N -1.60 2.93 0.07 2.59 0.00 -1.26 -4.96 105.19 102.95 3pva n GLY 213 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 3pva n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pva n ALA 214 N -1.61 1.14 0.28 4.61 0.00 -1.26 -2.16 120.51 121.51 3pva n ALA 214 Ca 0.00 0.07 0.16 0.00 0.00 0.00 0.00 53.44 53.67 3pva n ALA 214 Cb 0.00 -1.17 0.80 0.00 0.00 0.00 0.00 19.45 19.08 3pva n ALA 214 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3pva h GLY 215 N 0.45 0.00 0.60 0.00 0.00 -1.71 -2.48 103.07 99.93 3pva h GLY 215 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3pva h GLY 215 CO 0.00 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.12 3pva n GLY 216 N -0.51 -0.73 3.70 4.60 0.00 -0.92 -0.77 105.19 110.58 3pva n GLY 216 Ca -0.01 -0.28 -0.60 0.00 0.00 0.00 0.00 46.02 45.13 3pva n GLY 216 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3pva n LEU 217 N -0.68 1.93 0.00 0.99 7.94 -0.93 -1.29 117.00 124.96 3pva n LEU 217 Ca 0.20 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.21 3pva n LEU 217 Cb 0.23 -1.07 0.00 0.00 0.53 0.00 0.00 43.42 43.10 3pva n LEU 217 CO 0.19 -0.65 0.00 0.61 -1.11 0.00 0.00 177.39 176.44 3pva n GLY 218 N 3.88 2.86 3.74 -3.96 0.00 -1.26 -4.69 105.19 105.76 3pva n GLY 218 Ca 0.27 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3pva n GLY 218 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3pva s LEU 219 N 0.00 4.35 0.31 0.99 0.20 -0.41 -4.96 118.68 119.16 3pva s LEU 219 Ca 0.00 2.92 -0.27 0.00 0.69 0.00 0.00 54.13 57.47 3pva s LEU 219 Cb 0.00 -3.62 -0.09 0.00 -0.43 0.00 0.00 46.19 42.04 3pva s LEU 219 CO 0.00 -0.94 0.98 -2.16 -0.29 0.00 0.00 176.35 173.94 3pva s PRO 220 N 0.15 4.58 0.00 0.98 0.04 -1.26 -4.99 135.00 134.50 3pva s PRO 220 Ca 0.68 1.45 0.22 0.00 0.04 0.00 0.00 61.00 63.39 3pva s PRO 220 Cb -0.48 -2.91 -0.00 0.00 0.04 0.00 0.00 34.50 31.14 3pva s PRO 220 CO 0.42 0.25 1.06 0.41 0.04 0.00 0.00 177.00 179.18 3pva n GLY 221 N 0.80 0.07 3.70 0.56 0.00 -1.26 -4.90 105.19 104.16 3pva n GLY 221 Ca 0.01 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 3pva n GLY 221 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3pva s ASP 222 N -2.37 2.31 -0.33 1.61 1.47 -1.26 -4.99 116.67 113.11 3pva s ASP 222 Ca 0.18 0.86 0.09 0.00 1.18 0.00 0.00 52.55 54.87 3pva s ASP 222 Cb 0.17 -1.32 0.73 0.00 -0.34 0.00 0.00 42.92 42.17 3pva s ASP 222 CO 0.54 -3.29 1.80 0.49 0.68 0.00 0.00 175.17 175.39 3pva n PHE 223 N -4.24 2.45 -1.30 2.11 3.72 -1.26 -4.37 117.46 114.57 3pva n PHE 223 Ca 0.09 -1.27 -0.31 0.00 -0.05 0.00 0.00 57.45 55.91 3pva n PHE 223 Cb 0.59 -0.70 0.09 0.00 -0.94 0.00 0.00 39.48 38.52 3pva n PHE 223 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3pva s THR 224 N -3.03 3.30 0.19 4.37 -4.23 -1.26 -4.77 115.64 110.21 3pva s THR 224 Ca 0.55 0.42 -0.12 0.00 -1.18 0.00 0.00 61.69 61.36 3pva s THR 224 Cb 0.44 -2.95 0.11 0.00 1.34 0.00 0.00 72.50 71.44 3pva s THR 224 CO 0.13 -0.55 1.84 -0.65 -0.54 0.00 0.00 174.62 174.84 3pva h PRO 225 N -1.14 0.87 -0.19 3.99 0.11 -1.93 0.12 132.00 133.82 3pva h PRO 225 Ca -0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3pva h PRO 225 Cb 1.24 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3pva h PRO 225 CO 0.53 0.60 0.04 0.66 -0.21 0.00 0.00 178.00 179.63 3pva h SER 226 N 0.87 0.29 -0.17 -2.05 4.64 -1.92 0.12 113.55 115.34 3pva h SER 226 Ca 0.23 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3pva h SER 226 Cb -0.05 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 3pva h SER 226 CO -0.05 0.45 0.11 0.00 -0.87 0.00 0.00 176.83 176.48 3pva h ALA 227 N 0.85 0.22 -0.89 5.18 0.00 -1.81 -1.86 119.26 120.95 3pva h ALA 227 Ca 0.06 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3pva h ALA 227 Cb 0.28 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3pva h ALA 227 CO 0.00 -0.30 0.58 0.00 0.00 0.00 0.00 179.25 179.53 3pva h ARG 228 N 0.23 1.01 -0.04 0.00 3.08 -0.62 -1.02 114.38 117.03 3pva h ARG 228 Ca 0.06 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.08 3pva h ARG 228 Cb -0.03 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.77 3pva h ARG 228 CO -0.02 0.67 -0.12 0.35 -1.07 0.00 0.00 179.97 179.79 3pva h PHE 229 N 1.04 -0.30 -0.42 3.04 3.04 -0.09 -1.30 116.94 121.95 3pva h PHE 229 Ca 0.37 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.38 3pva h PHE 229 Cb 0.13 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 38.74 3pva h PHE 229 CO -0.00 -0.18 0.16 -0.07 -2.02 0.00 0.00 178.31 176.20 3pva h LEU 230 N -0.19 0.19 -0.26 0.59 4.07 -0.50 -0.31 115.31 118.91 3pva h LEU 230 Ca 0.06 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 3pva h LEU 230 Cb 0.26 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 3pva h LEU 230 CO -0.15 0.15 0.11 0.03 -1.08 0.00 0.00 178.44 177.50 3pva h ARG 231 N 0.34 0.38 -0.72 1.13 3.08 -0.91 0.76 114.38 118.44 3pva h ARG 231 Ca 0.19 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3pva h ARG 231 Cb 0.16 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3pva h ARG 231 CO -0.18 0.40 0.21 0.28 -1.07 0.00 0.00 179.97 179.61 3pva h VAL 232 N 0.27 1.26 0.14 2.04 2.07 -0.98 -1.29 116.25 119.76 3pva h VAL 232 Ca 0.09 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3pva h VAL 232 Cb 0.16 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3pva h VAL 232 CO -0.01 0.36 -0.07 0.00 0.02 0.00 0.00 177.57 177.88 3pva h ALA 233 N 1.10 -0.19 -0.75 1.67 0.00 -0.68 -0.39 119.26 120.03 3pva h ALA 233 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3pva h ALA 233 Cb 0.34 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3pva h ALA 233 CO -0.00 -0.36 0.43 1.88 0.00 0.00 0.00 179.25 181.19 3pva h TYR 234 N -0.67 1.00 0.00 0.00 0.05 -0.87 -0.03 116.97 116.45 3pva h TYR 234 Ca -0.02 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.65 3pva h TYR 234 Cb 0.50 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 3pva h TYR 234 CO 0.07 0.69 -0.45 -1.49 -1.05 0.00 0.00 178.16 175.92 3pva h TRP 235 N 1.02 0.00 -0.30 4.88 -0.00 -1.30 -1.86 115.95 118.39 3pva h TRP 235 Ca 0.27 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 59.11 3pva h TRP 235 Cb -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.14 3pva h TRP 235 CO -0.01 0.45 0.03 -0.22 -0.00 0.00 0.00 178.44 178.69 3pva h LYS 236 N 0.00 0.52 -0.81 0.49 3.64 -0.45 -0.63 116.57 119.32 3pva h LYS 236 Ca -0.00 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3pva h LYS 236 Cb 0.96 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 3pva h LYS 236 CO 0.06 0.64 0.54 -0.22 -2.27 0.00 0.00 179.45 178.19 3pva h LYS 237 N 0.33 1.05 0.00 1.90 3.64 -0.61 -3.33 116.57 119.55 3pva h LYS 237 Ca 0.09 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3pva h LYS 237 Cb 0.39 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3pva h LYS 237 CO 0.01 0.70 -1.70 0.66 -2.27 0.00 0.00 179.45 176.85 3pva n TYR 238 N -4.53 0.00 -2.41 1.91 4.01 -0.74 -4.95 117.16 110.45 3pva n TYR 238 Ca 0.09 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.46 3pva n TYR 238 Cb 0.03 -0.36 -0.03 0.00 -0.31 0.00 0.00 39.34 38.68 3pva n TYR 238 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3pva s THR 239 N -3.30 3.46 0.51 -0.72 -4.23 -0.25 -4.95 115.64 106.16 3pva s THR 239 Ca -0.04 1.07 -0.21 0.00 -1.18 0.00 0.00 61.69 61.33 3pva s THR 239 Cb 0.14 -3.53 -0.08 0.00 1.34 0.00 0.00 72.50 70.37 3pva s THR 239 CO 0.85 -0.04 0.90 -0.62 -0.54 0.00 0.00 174.62 175.17 3pva n GLU 240 N -0.41 1.04 -1.79 3.99 1.02 -1.26 -4.93 120.64 118.30 3pva n GLU 240 Ca 0.07 0.38 -0.41 0.00 -0.02 0.00 0.00 57.16 57.18 3pva n GLU 240 Cb 0.49 -2.02 -0.01 0.00 -0.02 0.00 0.00 31.44 29.89 3pva n GLU 240 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3pva s LYS 241 N -2.27 4.11 0.10 3.49 1.02 -1.26 -4.96 119.74 119.97 3pva s LYS 241 Ca 0.68 2.58 -0.31 0.00 0.02 0.00 0.00 55.97 58.95 3pva s LYS 241 Cb -0.49 -2.99 -0.07 0.00 -0.52 0.00 0.00 37.83 33.76 3pva s LYS 241 CO 0.53 -0.59 1.29 0.00 -0.92 0.00 0.00 175.35 175.66 3pva s ALA 242 N -0.61 3.49 -0.17 5.17 0.00 -1.26 -4.92 121.76 123.46 3pva s ALA 242 Ca 0.58 0.99 0.16 0.00 0.00 0.00 0.00 51.96 53.69 3pva s ALA 242 Cb -0.47 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.20 3pva s ALA 242 CO 0.56 -0.51 1.31 0.87 0.00 0.00 0.00 175.76 177.99 3pva h LYS 243 N 6.61 0.00 0.00 0.00 1.57 -1.92 0.17 116.57 123.00 3pva h LYS 243 Ca -0.42 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.24 3pva h LYS 243 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 3pva h LYS 243 CO 0.83 0.42 -0.01 0.27 -0.57 0.00 0.00 179.45 180.38 3pva n ASN 244 N -3.13 -0.97 -0.11 0.86 0.23 -1.26 -3.52 115.26 107.35 3pva n ASN 244 Ca -0.00 -2.07 -0.06 0.00 -0.53 0.00 0.00 54.58 51.92 3pva n ASN 244 Cb 0.74 1.73 0.13 0.00 -2.08 0.00 0.00 39.78 40.30 3pva n ASN 244 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3pva h GLU 245 N 0.00 0.81 -0.37 -3.83 4.81 -1.97 -1.58 114.58 112.46 3pva h GLU 245 Ca -0.17 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 58.70 3pva h GLU 245 Cb 0.71 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3pva h GLU 245 CO 0.23 0.85 -0.21 1.15 -0.73 0.00 0.00 179.01 180.30 3pva h THR 246 N 0.75 1.28 -0.83 0.32 2.02 -1.99 -0.95 112.91 113.51 3pva h THR 246 Ca 0.14 -1.35 0.02 0.00 0.77 0.00 0.00 66.41 65.99 3pva h THR 246 Cb 0.53 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 3pva h THR 246 CO 0.03 0.45 0.54 -0.33 0.37 0.00 0.00 175.52 176.58 3pva h GLU 247 N 0.58 1.05 -0.07 6.66 5.08 -1.95 -1.21 114.58 124.72 3pva h GLU 247 Ca 0.08 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3pva h GLU 247 Cb 0.77 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 3pva h GLU 247 CO 0.06 0.70 -0.17 0.78 -1.00 0.00 0.00 179.01 179.38 3pva h GLY 248 N 1.08 -0.16 0.85 -3.84 0.00 -0.84 0.39 103.07 100.56 3pva h GLY 248 Ca 0.32 0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.87 3pva h GLY 248 CO -0.09 -0.16 0.21 -2.08 0.00 0.00 0.00 176.54 174.42 3pva h VAL 249 N -0.24 1.01 -0.04 4.60 2.07 -0.69 0.16 116.25 123.12 3pva h VAL 249 Ca 0.08 -0.14 -0.19 0.00 0.82 0.00 0.00 66.70 67.27 3pva h VAL 249 Cb 0.35 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3pva h VAL 249 CO -0.21 0.08 -0.78 0.71 0.02 0.00 0.00 177.57 177.39 3pva h THR 250 N 0.42 1.42 -0.68 2.57 1.35 -0.60 -2.19 112.91 115.19 3pva h THR 250 Ca 0.16 -2.29 -0.05 0.00 -0.55 0.00 0.00 66.41 63.68 3pva h THR 250 Cb 0.04 2.23 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 3pva h THR 250 CO -0.09 0.68 0.24 0.78 -0.25 0.00 0.00 175.52 176.87 3pva h ASN 251 N 0.20 0.97 -0.65 5.36 -0.26 -0.11 -1.84 115.58 119.26 3pva h ASN 251 Ca -0.04 -0.19 -0.02 0.00 -0.56 0.00 0.00 56.30 55.49 3pva h ASN 251 Cb 1.36 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 38.34 3pva h ASN 251 CO 0.13 0.91 0.35 -0.07 -1.06 0.00 0.00 177.43 177.68 3pva h LEU 252 N 0.99 0.83 -1.13 1.61 3.38 -0.83 -1.10 115.31 119.06 3pva h LEU 252 Ca 0.22 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3pva h LEU 252 Cb 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3pva h LEU 252 CO -0.01 0.69 -0.18 -0.26 0.09 0.00 0.00 178.44 178.78 3pva h PHE 253 N 0.90 0.00 -0.01 1.13 0.04 -1.19 -2.05 116.94 115.76 3pva h PHE 253 Ca 0.23 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.96 3pva h PHE 253 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 3pva h PHE 253 CO -0.00 0.18 -0.15 0.45 -0.60 0.00 0.00 178.31 178.18 3pva h HIS 254 N 0.00 0.17 0.02 -0.55 3.86 -0.88 -2.67 115.15 115.11 3pva h HIS 254 Ca -0.00 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.14 3pva h HIS 254 Cb 0.72 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 3pva h HIS 254 CO 0.00 0.84 -0.11 0.82 0.86 0.00 0.00 177.93 180.35 3pva h ILE 255 N -0.54 0.74 0.00 2.45 2.04 -1.13 -2.24 117.51 118.82 3pva h ILE 255 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3pva h ILE 255 Cb 0.88 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3pva h ILE 255 CO 0.03 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.36 3pva n LEU 256 N -5.23 0.00 0.23 1.44 4.77 -0.78 -2.06 117.00 115.37 3pva n LEU 256 Ca -0.06 0.46 0.14 0.00 -0.03 0.00 0.00 56.01 56.52 3pva n LEU 256 Cb 0.15 -0.46 0.41 0.00 -2.33 0.00 0.00 43.42 41.19 3pva n LEU 256 CO 0.29 -0.29 0.89 0.77 -1.33 0.00 0.00 177.39 177.71 3pva h SER 257 N 0.00 0.00 0.72 -1.43 4.64 -1.03 -1.54 113.55 114.91 3pva h SER 257 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3pva h SER 257 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3pva h SER 257 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 3pva n SER 258 N -2.98 0.00 -0.96 4.97 3.41 -0.87 -3.13 113.62 114.06 3pva n SER 258 Ca 0.03 0.08 0.05 0.00 -0.26 0.00 0.00 58.87 58.77 3pva n SER 258 Cb 0.42 -0.36 0.12 0.00 -0.26 0.00 0.00 64.21 64.13 3pva n SER 258 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3pva n VAL 259 N -1.36 1.20 -3.26 -3.33 0.24 -0.61 -5.01 118.33 106.21 3pva n VAL 259 Ca 0.12 -2.17 -0.41 0.00 -2.04 0.00 0.00 64.34 59.84 3pva n VAL 259 Cb 0.27 0.31 -0.08 0.00 -1.47 0.00 0.00 33.84 32.87 3pva n VAL 259 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3pva s ASN 260 N -2.64 6.34 -0.38 -1.34 2.47 -1.04 -4.93 114.94 113.42 3pva s ASN 260 Ca 0.35 0.19 -0.18 0.00 0.42 0.00 0.00 52.86 53.63 3pva s ASN 260 Cb 0.37 -2.26 0.01 0.00 -1.45 0.00 0.00 41.25 37.91 3pva s ASN 260 CO -0.11 -0.37 0.53 -0.63 -3.72 0.00 0.00 177.10 172.79 3pva s ILE 261 N 2.32 4.99 0.36 -5.21 1.01 -1.26 -4.97 121.20 118.43 3pva s ILE 261 Ca 0.19 0.19 -0.27 0.00 0.00 0.00 0.00 60.65 60.76 3pva s ILE 261 Cb -0.16 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.20 3pva s ILE 261 CO 0.11 -0.32 1.22 -2.84 0.00 0.00 0.00 174.94 173.12 3pva s PRO 262 N 2.44 4.23 0.16 2.79 0.02 -1.26 -2.42 135.00 140.96 3pva s PRO 262 Ca 0.18 2.00 -0.34 0.00 0.02 0.00 0.00 61.00 62.86 3pva s PRO 262 Cb -0.15 -2.90 -0.14 0.00 0.02 0.00 0.00 34.50 31.32 3pva s PRO 262 CO 0.14 -0.21 1.49 1.63 -0.33 0.00 0.00 177.00 179.72 3pva n LYS 263 N 0.50 1.92 0.00 5.54 5.02 -1.26 -2.36 118.16 127.52 3pva n LYS 263 Ca 0.02 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 3pva n LYS 263 Cb 0.44 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 3pva n LYS 263 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3pva n GLY 264 N 2.97 3.40 0.17 0.72 0.00 -1.26 -4.93 105.19 106.27 3pva n GLY 264 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 3pva n GLY 264 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3pva h VAL 265 N 0.00 0.25 -3.20 1.61 -1.51 -1.79 -3.43 116.25 108.18 3pva h VAL 265 Ca 0.00 -1.38 -0.58 0.00 -1.23 0.00 0.00 66.70 63.52 3pva h VAL 265 Cb 0.00 2.00 -0.35 0.00 -2.13 0.00 0.00 31.29 30.81 3pva h VAL 265 CO 0.00 0.14 -0.83 -0.69 -1.23 0.00 0.00 177.57 174.97 3pva s VAL 266 N -3.16 1.41 0.09 7.19 1.01 -1.26 -5.07 120.40 120.61 3pva s VAL 266 Ca 0.04 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.55 3pva s VAL 266 Cb 0.07 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3pva s VAL 266 CO 0.72 0.43 -0.19 -0.76 0.00 0.00 0.00 175.10 175.31 3pva s LEU 267 N 1.30 2.64 0.00 3.92 1.43 -1.26 -0.63 118.68 126.07 3pva s LEU 267 Ca -0.01 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.53 3pva s LEU 267 Cb -0.14 -1.51 0.06 0.00 0.03 0.00 0.00 46.19 44.62 3pva s LEU 267 CO -0.06 0.21 0.30 0.35 0.23 0.00 0.00 176.35 177.37 3pva n THR 268 N 1.07 0.00 0.09 5.49 -2.24 0.30 -4.87 114.28 114.12 3pva n THR 268 Ca -0.16 -0.20 -0.05 0.00 -2.27 0.00 0.00 64.05 61.36 3pva n THR 268 Cb 0.52 -1.72 0.10 0.00 -2.10 0.00 0.00 70.33 67.14 3pva n THR 268 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3pva h ASN 269 N -0.61 0.22 0.49 3.42 2.35 -2.01 -2.27 115.58 117.18 3pva h ASN 269 Ca -0.10 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3pva h ASN 269 Cb 0.28 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3pva h ASN 269 CO 0.07 0.82 0.00 -0.08 -1.65 0.00 0.00 177.43 176.59 3pva h GLU 270 N 0.14 0.00 0.00 0.81 4.57 -2.05 -3.46 114.58 114.58 3pva h GLU 270 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3pva h GLU 270 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3pva h GLU 270 CO 0.10 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.34 3pva n GLY 271 N -0.54 0.62 3.78 1.92 0.00 -0.85 -5.04 105.19 105.07 3pva n GLY 271 Ca -0.01 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 3pva n GLY 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3pva s LYS 272 N -0.65 4.60 -0.13 1.61 3.01 -1.26 -4.73 119.74 122.19 3pva s LYS 272 Ca 0.00 1.30 -0.22 0.00 -1.01 0.00 0.00 55.97 56.05 3pva s LYS 272 Cb 0.00 -2.92 -0.03 0.00 -1.01 0.00 0.00 37.83 33.87 3pva s LYS 272 CO 0.00 0.35 0.64 -0.08 0.51 0.00 0.00 175.35 176.78 3pva s THR 273 N -1.50 5.05 -0.37 2.17 -1.32 -1.26 -0.54 115.64 117.87 3pva s THR 273 Ca 0.47 1.28 -0.17 0.00 -1.21 0.00 0.00 61.69 62.06 3pva s THR 273 Cb -0.20 -3.97 0.00 0.00 -1.51 0.00 0.00 72.50 66.82 3pva s THR 273 CO 0.25 0.20 0.44 -0.62 -2.21 0.00 0.00 174.62 172.67 3pva s ASP 274 N 0.94 6.23 0.10 8.08 2.15 0.20 -4.17 116.67 130.19 3pva s ASP 274 Ca 0.32 -0.30 -0.00 0.00 0.43 0.00 0.00 52.55 53.00 3pva s ASP 274 Cb -0.16 -2.23 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 3pva s ASP 274 CO 0.13 -0.46 0.00 -0.72 -0.17 0.00 0.00 175.17 173.95 3pva s TYR 275 N 2.19 0.76 -0.79 -5.34 1.13 -1.08 -4.32 117.35 109.89 3pva s TYR 275 Ca 0.14 -1.11 -0.25 0.00 -1.41 0.00 0.00 57.07 54.44 3pva s TYR 275 Cb -0.16 -0.47 -0.00 0.00 -1.10 0.00 0.00 41.96 40.23 3pva s TYR 275 CO 0.13 -0.39 1.67 0.99 -2.51 0.00 0.00 175.55 175.45 3pva s THR 276 N -3.91 3.57 0.09 -3.49 2.01 -1.02 -2.26 115.64 110.63 3pva s THR 276 Ca 0.16 -0.08 -0.17 0.00 0.31 0.00 0.00 61.69 61.91 3pva s THR 276 Cb 0.07 -4.39 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 3pva s THR 276 CO -0.04 -1.33 1.45 0.40 -0.69 0.00 0.00 174.62 174.42 3pva h ILE 277 N 6.77 1.30 -3.81 1.82 2.04 -1.33 -3.37 117.51 120.93 3pva h ILE 277 Ca -0.09 -1.24 -0.12 0.00 1.00 0.00 0.00 64.86 64.42 3pva h ILE 277 Cb 1.07 1.50 -0.09 0.00 -0.74 0.00 0.00 36.82 38.56 3pva h ILE 277 CO 1.27 0.39 -0.16 -0.72 0.00 0.00 0.00 178.15 178.93 3pva s TYR 278 N -4.59 0.57 -0.04 1.37 -0.85 -1.24 -1.72 117.35 110.86 3pva s TYR 278 Ca -0.13 -0.91 -0.01 0.00 -0.52 0.00 0.00 57.07 55.50 3pva s TYR 278 Cb 0.08 0.09 0.03 0.00 0.38 0.00 0.00 41.96 42.54 3pva s TYR 278 CO 0.79 -1.01 0.06 0.99 -1.52 0.00 0.00 175.55 174.86 3pva s THR 279 N -3.76 -0.10 0.20 -3.49 2.01 -0.03 -1.60 115.64 108.87 3pva s THR 279 Ca 0.25 0.32 0.07 0.00 0.31 0.00 0.00 61.69 62.64 3pva s THR 279 Cb -0.00 -0.14 -0.05 0.00 0.01 0.00 0.00 72.50 72.32 3pva s THR 279 CO 0.12 0.13 -0.12 -0.94 -0.69 0.00 0.00 174.62 173.12 3pva s SER 280 N 1.66 2.33 0.00 3.53 1.04 -0.13 -0.76 113.70 121.38 3pva s SER 280 Ca -0.02 -1.04 -0.03 0.00 0.48 0.00 0.00 55.95 55.34 3pva s SER 280 Cb -0.12 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 3pva s SER 280 CO -0.03 -0.25 0.04 0.00 0.98 0.00 0.00 173.24 173.98 3pva s ALA 281 N -3.10 -0.08 0.02 5.32 0.00 -0.31 -1.50 121.76 122.11 3pva s ALA 281 Ca 0.22 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.90 3pva s ALA 281 Cb 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 3pva s ALA 281 CO 0.06 -0.15 -0.03 -1.64 0.00 0.00 0.00 175.76 173.99 3pva s MET 282 N -1.11 0.28 -0.15 0.00 -1.94 -0.03 -0.15 119.30 116.20 3pva s MET 282 Ca -0.12 -0.42 0.02 0.00 -1.71 0.00 0.00 55.69 53.45 3pva s MET 282 Cb -0.07 -0.06 0.01 0.00 2.01 0.00 0.00 34.83 36.72 3pva s MET 282 CO 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 175.02 174.81 3pva h ALA 284 N 7.58 0.88 0.07 0.00 0.00 -1.07 0.41 119.26 127.12 3pva h ALA 284 Ca -0.38 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.13 3pva h ALA 284 Cb 1.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3pva h ALA 284 CO 0.58 0.46 -1.17 1.96 0.00 0.00 0.00 179.25 181.08 3pva h GLN 285 N 0.95 0.14 0.00 0.00 1.08 -1.88 -3.32 115.11 112.07 3pva h GLN 285 Ca 0.23 -0.24 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 3pva h GLN 285 Cb 0.15 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 3pva h GLN 285 CO -0.03 1.09 -1.11 -1.13 -0.95 0.00 0.00 178.83 176.70 3pva n SER 286 N -3.43 0.84 -2.42 1.46 3.41 -1.22 -4.95 113.62 107.31 3pva n SER 286 Ca -0.06 0.34 -0.20 0.00 -0.26 0.00 0.00 58.87 58.69 3pva n SER 286 Cb 0.99 0.40 0.01 0.00 -0.26 0.00 0.00 64.21 65.34 3pva n SER 286 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3pva n LYS 287 N -2.72 -2.70 -3.44 4.33 4.01 0.13 -4.76 118.16 113.02 3pva n LYS 287 Ca -0.02 0.90 -0.33 0.00 -0.51 0.00 0.00 58.31 58.34 3pva n LYS 287 Cb 0.62 -5.52 -0.05 0.00 -0.51 0.00 0.00 35.03 29.56 3pva n LYS 287 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3pva s ASN 288 N -2.37 6.66 -0.13 4.39 0.02 -1.23 -2.56 114.94 119.72 3pva s ASN 288 Ca 0.11 0.92 0.01 0.00 -1.02 0.00 0.00 52.86 52.88 3pva s ASN 288 Cb -0.05 -2.23 0.02 0.00 0.02 0.00 0.00 41.25 39.01 3pva s ASN 288 CO 0.13 0.00 -0.15 -0.47 0.02 0.00 0.00 177.10 176.63 3pva s TYR 289 N -1.68 2.11 0.09 2.20 6.14 0.07 -2.48 117.35 123.80 3pva s TYR 289 Ca 0.43 -1.09 0.08 0.00 0.64 0.00 0.00 57.07 57.13 3pva s TYR 289 Cb -0.12 -1.53 -0.04 0.00 0.42 0.00 0.00 41.96 40.69 3pva s TYR 289 CO 0.21 -0.57 -0.17 0.71 0.64 0.00 0.00 175.55 176.36 3pva s TYR 290 N 1.20 2.57 -0.09 4.97 1.51 0.79 -1.04 117.35 127.26 3pva s TYR 290 Ca -0.01 -0.25 -0.30 0.00 -1.01 0.00 0.00 57.07 55.50 3pva s TYR 290 Cb -0.14 -1.40 0.07 0.00 -0.11 0.00 0.00 41.96 40.38 3pva s TYR 290 CO -0.06 0.34 0.68 -0.59 -1.11 0.00 0.00 175.55 174.82 3pva s PHE 291 N -1.07 -0.67 0.14 2.71 -0.71 -0.57 -1.16 117.98 116.65 3pva s PHE 291 Ca 0.17 1.25 0.06 0.00 -1.04 0.00 0.00 56.93 57.38 3pva s PHE 291 Cb -0.11 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 3pva s PHE 291 CO 0.09 -0.56 -0.13 -1.59 -1.34 0.00 0.00 175.22 171.68 3pva s LYS 292 N -0.91 1.09 0.34 1.99 -2.85 0.06 -1.15 119.74 118.30 3pva s LYS 292 Ca -0.09 -1.34 0.06 0.00 -1.00 0.00 0.00 55.97 53.59 3pva s LYS 292 Cb -0.01 -0.90 -0.07 0.00 -2.06 0.00 0.00 37.83 34.80 3pva s LYS 292 CO 0.08 0.16 0.01 -0.48 0.10 0.00 0.00 175.35 175.22 3pva s LEU 293 N -2.74 2.47 0.19 2.77 0.05 -1.05 -0.85 118.68 119.52 3pva s LEU 293 Ca 0.13 -1.32 -0.22 0.00 0.05 0.00 0.00 54.13 52.77 3pva s LEU 293 Cb -0.03 -0.61 0.11 0.00 -2.05 0.00 0.00 46.19 43.61 3pva s LEU 293 CO 0.03 -0.48 1.57 0.22 -0.55 0.00 0.00 176.35 177.14 3pva h TYR 294 N 2.07 -1.14 -0.13 3.48 3.20 -1.50 -1.45 116.97 121.50 3pva h TYR 294 Ca -0.41 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.54 3pva h TYR 294 Cb 1.24 0.60 0.00 0.00 1.54 0.00 0.00 36.73 40.11 3pva h TYR 294 CO 0.65 -0.40 0.00 -0.25 -1.64 0.00 0.00 178.16 176.52 3pva n ASP 295 N -5.42 0.96 -3.48 -2.11 8.00 -1.26 -4.76 116.55 108.47 3pva n ASP 295 Ca 0.04 -1.72 -0.12 0.00 0.71 0.00 0.00 54.79 53.71 3pva n ASP 295 Cb 0.36 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.27 3pva n ASP 295 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3pva s ASN 296 N -1.38 0.46 0.00 -2.24 3.04 -0.55 -2.46 114.94 111.81 3pva s ASN 296 Ca 0.25 0.29 0.29 0.00 0.04 0.00 0.00 52.86 53.72 3pva s ASN 296 Cb 0.12 0.90 1.26 0.00 -1.54 0.00 0.00 41.25 42.00 3pva s ASN 296 CO 0.19 -0.29 1.87 -1.54 -3.04 0.00 0.00 177.10 174.29 3pva n SER 297 N 5.36 0.64 -4.68 -4.21 3.41 -1.26 -2.52 113.62 110.36 3pva n SER 297 Ca -0.05 -0.85 -0.43 0.00 -0.26 0.00 0.00 58.87 57.29 3pva n SER 297 Cb 0.50 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 3pva n SER 297 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3pva s ARG 298 N -2.31 4.31 0.20 4.33 3.52 -1.26 -4.97 118.95 122.78 3pva s ARG 298 Ca 0.33 1.62 -0.30 0.00 -0.13 0.00 0.00 55.73 57.25 3pva s ARG 298 Cb 0.20 -3.63 -0.08 0.00 -1.56 0.00 0.00 34.95 29.88 3pva s ARG 298 CO 0.44 -0.53 1.14 0.42 -0.81 0.00 0.00 175.30 175.96 3pva s ILE 299 N 2.68 3.65 -0.03 4.11 1.01 -1.26 -4.64 121.20 126.73 3pva s ILE 299 Ca 0.54 1.46 0.07 0.00 0.00 0.00 0.00 60.65 62.72 3pva s ILE 299 Cb -0.22 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 3pva s ILE 299 CO 0.18 0.27 -0.24 -0.44 0.00 0.00 0.00 174.94 174.71 3pva s SER 300 N -0.18 3.26 0.01 3.58 0.01 -0.30 -4.93 113.70 115.15 3pva s SER 300 Ca 0.50 -0.41 0.07 0.00 1.31 0.00 0.00 55.95 57.42 3pva s SER 300 Cb -0.31 -0.47 -0.02 0.00 0.21 0.00 0.00 66.02 65.43 3pva s SER 300 CO 0.37 0.32 -0.23 0.00 0.41 0.00 0.00 173.24 174.12 3pva s ALA 301 N -0.62 1.90 -0.06 1.44 0.00 -1.26 -1.51 121.76 121.66 3pva s ALA 301 Ca 0.10 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 51.05 3pva s ALA 301 Cb -0.10 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 3pva s ALA 301 CO -0.01 0.45 -0.19 0.08 0.00 0.00 0.00 175.76 176.10 3pva s VAL 302 N -0.67 1.60 -0.21 0.00 1.01 -0.21 -4.99 120.40 116.94 3pva s VAL 302 Ca 0.09 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 3pva s VAL 302 Cb -0.09 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3pva s VAL 302 CO 0.01 0.46 0.09 -0.55 0.00 0.00 0.00 175.10 175.10 3pva s SER 303 N 0.16 5.67 -0.00 3.32 0.15 -1.26 -0.75 113.70 120.99 3pva s SER 303 Ca -0.08 0.04 -0.25 0.00 0.70 0.00 0.00 55.95 56.36 3pva s SER 303 Cb -0.14 -2.00 -0.19 0.00 -1.71 0.00 0.00 66.02 61.99 3pva s SER 303 CO 0.04 0.11 1.32 0.25 1.20 0.00 0.00 173.24 176.16 3pva h LEU 304 N 7.20 0.05 -1.79 3.45 5.85 -1.80 -3.16 115.31 125.12 3pva h LEU 304 Ca -0.37 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 57.90 3pva h LEU 304 Cb 1.17 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3pva h LEU 304 CO 0.67 0.49 0.00 0.24 -0.34 0.00 0.00 178.44 179.49 3pva h MET 305 N -0.38 0.00 0.00 1.25 2.86 -1.86 -2.35 114.93 114.46 3pva h MET 305 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3pva h MET 305 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3pva h MET 305 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 3pva n ALA 306 N -1.90 2.03 -2.02 6.32 0.00 -1.19 -4.82 120.51 118.93 3pva n ALA 306 Ca -0.01 0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.27 3pva n ALA 306 Cb 0.10 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.14 3pva n ALA 306 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3pva s GLU 307 N -3.19 2.71 -0.46 0.00 0.41 -0.89 -5.06 118.70 112.23 3pva s GLU 307 Ca 0.08 -1.34 -0.26 0.00 -0.41 0.00 0.00 54.97 53.05 3pva s GLU 307 Cb 0.11 -2.73 0.03 0.00 -1.78 0.00 0.00 34.13 29.76 3pva s GLU 307 CO 0.51 -0.40 0.95 1.21 -0.49 0.00 0.00 175.26 177.05 3pva s ASN 308 N -4.41 6.52 0.00 -0.19 2.47 -1.26 -4.91 114.94 113.16 3pva s ASN 308 Ca 0.56 0.18 0.23 0.00 0.42 0.00 0.00 52.86 54.25 3pva s ASN 308 Cb -0.09 -2.46 1.36 0.00 -1.45 0.00 0.00 41.25 38.60 3pva s ASN 308 CO 0.34 -1.06 1.76 0.18 -3.72 0.00 0.00 177.10 174.59 3pva n LEU 309 N 7.22 0.00 -0.64 3.21 4.77 -1.26 -1.65 117.00 128.65 3pva n LEU 309 Ca 0.07 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.11 3pva n LEU 309 Cb 0.49 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.74 3pva n LEU 309 CO 0.65 0.00 0.63 0.59 -1.33 0.00 0.00 177.39 177.93 3pva n ASN 310 N -0.95 3.02 -4.61 -1.43 4.13 -1.26 0.18 115.26 114.34 3pva n ASN 310 Ca 0.17 -2.16 -0.35 0.00 1.68 0.00 0.00 54.58 53.92 3pva n ASN 310 Cb 0.08 -0.27 0.09 0.00 -1.54 0.00 0.00 39.78 38.14 3pva n ASN 310 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3pva n SER 311 N 0.29 0.35 0.07 6.41 7.64 -0.66 -4.88 113.62 122.85 3pva n SER 311 Ca 0.12 0.64 -0.10 0.00 1.01 0.00 0.00 58.87 60.54 3pva n SER 311 Cb 0.49 -1.40 -0.13 0.00 -1.01 0.00 0.00 64.21 62.16 3pva n SER 311 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3pva h GLN 312 N -0.41 0.10 -6.21 1.43 1.08 -1.93 -3.44 115.11 105.71 3pva h GLN 312 Ca -0.47 -0.16 -0.48 0.00 -1.45 0.00 0.00 58.65 56.09 3pva h GLN 312 Cb 1.33 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.79 3pva h GLN 312 CO 0.46 1.07 -0.46 -0.51 -0.95 0.00 0.00 178.83 178.44 3pva s ASP 313 N -6.86 5.77 0.26 1.46 1.01 -1.26 -4.95 116.67 112.10 3pva s ASP 313 Ca -0.01 -0.20 -0.29 0.00 0.71 0.00 0.00 52.55 52.76 3pva s ASP 313 Cb 0.09 -1.43 -0.09 0.00 1.01 0.00 0.00 42.92 42.50 3pva s ASP 313 CO 0.84 -0.16 1.23 -0.76 0.21 0.00 0.00 175.17 176.53 3pva s LEU 314 N -3.96 4.47 -0.30 1.23 1.02 -1.26 -4.64 118.68 115.23 3pva s LEU 314 Ca 0.36 2.43 -0.07 0.00 0.02 0.00 0.00 54.13 56.87 3pva s LEU 314 Cb -0.08 -3.63 0.01 0.00 0.02 0.00 0.00 46.19 42.51 3pva s LEU 314 CO 0.27 -0.39 0.09 -0.63 0.02 0.00 0.00 176.35 175.72 3pva s ILE 315 N -0.69 4.07 0.11 -0.59 1.01 -1.05 -4.95 121.20 119.11 3pva s ILE 315 Ca 0.50 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.56 3pva s ILE 315 Cb -0.36 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3pva s ILE 315 CO 0.43 0.06 -0.12 0.42 0.00 0.00 0.00 174.94 175.74 3pva s THR 316 N 1.51 3.23 -0.11 2.92 -4.23 -1.26 0.06 115.64 117.76 3pva s THR 316 Ca 0.03 -1.36 -0.00 0.00 -1.18 0.00 0.00 61.69 59.18 3pva s THR 316 Cb -0.17 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.18 3pva s THR 316 CO 0.03 0.09 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.76 3pva s PHE 317 N -1.23 1.45 0.52 3.99 0.40 0.57 -4.98 117.98 118.69 3pva s PHE 317 Ca 0.21 -0.70 -0.16 0.00 -0.60 0.00 0.00 56.93 55.68 3pva s PHE 317 Cb -0.11 -1.20 -0.08 0.00 0.51 0.00 0.00 43.02 42.15 3pva s PHE 317 CO 0.13 -0.49 0.99 -2.00 0.70 0.00 0.00 175.22 174.55 3pva s GLU 318 N 1.62 3.93 0.23 0.44 2.56 -1.26 -0.38 118.70 125.84 3pva s GLU 318 Ca 0.03 0.94 -0.30 0.00 0.00 0.00 0.00 54.97 55.64 3pva s GLU 318 Cb -0.13 -2.13 -0.09 0.00 2.00 0.00 0.00 34.13 33.78 3pva s GLU 318 CO -0.07 -0.29 0.95 -1.58 -0.56 0.00 0.00 175.26 173.71 3pva s TRP 319 N -2.66 3.96 -0.51 5.30 0.52 -1.26 -4.89 118.94 119.40 3pva s TRP 319 Ca 0.59 1.90 -0.05 0.00 0.02 0.00 0.00 56.10 58.56 3pva s TRP 319 Cb -0.10 -3.00 0.13 0.00 -1.15 0.00 0.00 33.47 29.35 3pva s TRP 319 CO 0.33 0.40 0.34 0.34 0.02 0.00 0.00 176.95 178.37 3pva s ASP 320 N -1.10 5.44 0.00 2.95 2.15 -1.26 -4.95 116.67 119.91 3pva s ASP 320 Ca 0.42 -2.28 0.01 0.00 0.43 0.00 0.00 52.55 51.13 3pva s ASP 320 Cb -0.26 -1.90 0.08 0.00 -0.30 0.00 0.00 42.92 40.54 3pva s ASP 320 CO 0.32 -0.53 0.88 -1.14 -0.17 0.00 0.00 175.17 174.53 3pva n ARG 321 N 4.31 0.83 -3.65 4.34 3.00 -1.26 -4.75 116.66 119.48 3pva n ARG 321 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 3pva n ARG 321 Cb 0.40 -1.03 -0.05 0.00 0.00 0.00 0.00 32.46 31.79 3pva n ARG 321 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3pva s LYS 322 N -2.00 3.66 -0.25 -0.14 -0.14 -1.26 -4.65 119.74 114.96 3pva s LYS 322 Ca 0.02 -0.00 -0.29 0.00 -1.36 0.00 0.00 55.97 54.34 3pva s LYS 322 Cb 0.01 -2.93 -0.01 0.00 -1.68 0.00 0.00 37.83 33.22 3pva s LYS 322 CO 0.02 0.52 1.46 -1.14 -0.76 0.00 0.00 175.35 175.45 3pva s GLN 323 N -2.28 3.89 -1.38 1.68 2.00 -1.03 -4.48 119.66 118.06 3pva s GLN 323 Ca 0.36 1.50 -0.13 0.00 -2.00 0.00 0.00 55.36 55.09 3pva s GLN 323 Cb -0.13 -3.95 0.09 0.00 0.80 0.00 0.00 33.01 29.82 3pva s GLN 323 CO 0.21 -1.17 2.04 -3.47 -0.50 0.00 0.00 175.29 172.41 3pva n ASP 324 N 7.93 4.39 -4.72 6.67 -0.08 -1.26 -4.96 116.55 124.51 3pva n ASP 324 Ca 0.17 -2.93 -0.42 0.00 -1.51 0.00 0.00 54.79 50.10 3pva n ASP 324 Cb 0.46 -1.61 -0.03 0.00 2.34 0.00 0.00 41.12 42.27 3pva n ASP 324 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3pva s ILE 325 N 2.43 3.71 -0.20 5.18 -1.09 -1.26 -4.86 121.20 125.11 3pva s ILE 325 Ca 0.45 1.31 -0.17 0.00 -2.23 0.00 0.00 60.65 60.02 3pva s ILE 325 Cb 0.11 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 3pva s ILE 325 CO -0.04 0.15 0.44 -0.75 -1.23 0.00 0.00 174.94 173.51 3pva s LYS 326 N 0.49 4.19 -0.18 2.79 2.20 -1.26 -5.04 119.74 122.93 3pva s LYS 326 Ca 0.57 0.28 -0.22 0.00 -0.36 0.00 0.00 55.97 56.24 3pva s LYS 326 Cb -0.32 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.44 3pva s LYS 326 CO 0.33 -0.06 0.68 -0.65 -0.36 0.00 0.00 175.35 175.28 3pva s GLN 327 N 1.37 4.25 0.02 4.03 -0.21 -1.26 -4.92 119.66 122.93 3pva s GLN 327 Ca 0.21 0.72 0.07 0.00 0.02 0.00 0.00 55.36 56.37 3pva s GLN 327 Cb -0.15 -3.57 -0.23 0.00 1.00 0.00 0.00 33.01 30.06 3pva s GLN 327 CO 0.09 -0.23 0.90 -0.07 -2.12 0.00 0.00 175.29 173.85 3pva h LEU 328 N 8.11 0.10 0.00 2.90 4.07 -2.01 -3.47 115.31 125.01 3pva h LEU 328 Ca -0.32 -0.15 -0.28 0.00 0.08 0.00 0.00 57.88 57.22 3pva h LEU 328 Cb 1.14 -0.03 -0.07 0.00 1.08 0.00 0.00 40.66 42.78 3pva h LEU 328 CO 0.79 1.13 -0.27 -0.46 -1.08 0.00 0.00 178.44 178.55 3pva n ASN 329 N -3.25 -0.20 -4.56 -0.43 6.94 -1.26 -5.06 115.26 107.44 3pva n ASN 329 Ca -0.12 -2.25 -0.34 0.00 -0.02 0.00 0.00 54.58 51.85 3pva n ASN 329 Cb 1.01 0.91 -0.04 0.00 -2.36 0.00 0.00 39.78 39.30 3pva n ASN 329 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3pva s GLN 330 N -2.79 3.12 0.84 -3.83 2.00 -1.26 -4.97 119.66 112.77 3pva s GLN 330 Ca 0.21 -0.87 -0.11 0.00 -2.00 0.00 0.00 55.36 52.59 3pva s GLN 330 Cb 0.01 -5.25 0.10 0.00 0.80 0.00 0.00 33.01 28.67 3pva s GLN 330 CO 0.15 -2.83 1.09 0.08 -0.50 0.00 0.00 175.29 173.29 3pva s VAL 331 N 7.45 2.93 -0.39 1.34 1.01 -1.26 -4.96 120.40 126.52 3pva s VAL 331 Ca 0.58 0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.93 3pva s VAL 331 Cb -0.02 -2.88 0.72 0.00 0.00 0.00 0.00 36.38 34.19 3pva s VAL 331 CO -0.03 -0.40 1.87 -3.20 0.00 0.00 0.00 175.10 173.35 3pva n ASN 332 N -3.66 4.35 -3.23 3.32 5.15 -1.26 -4.98 115.26 114.94 3pva n ASN 332 Ca 0.07 -3.41 -0.13 0.00 -0.60 0.00 0.00 54.58 50.51 3pva n ASN 332 Cb 0.55 -0.79 0.00 0.00 -0.53 0.00 0.00 39.78 39.01 3pva n ASN 332 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3pva n VAL 333 N -0.62 -1.39 -1.64 3.44 0.31 -1.26 -5.31 118.33 111.85 3pva n VAL 333 Ca 0.50 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 3pva n VAL 333 Cb 1.54 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 3pva n VAL 333 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31