#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 2.10 -0.19 0.00 0.01 -1.22 -4.07 113.70 110.33 3pva s SER 2 Ca 0.00 -0.87 -0.28 0.00 1.31 0.00 0.00 55.95 56.11 3pva s SER 2 Cb 0.00 -0.08 0.09 0.00 0.21 0.00 0.00 66.02 66.24 3pva s SER 2 CO 0.00 -0.17 0.80 -0.94 0.41 0.00 0.00 173.24 173.35 3pva s SER 3 N -2.70 -0.61 0.25 2.44 1.04 0.17 -0.64 113.70 113.65 3pva s SER 3 Ca 0.12 0.97 -0.15 0.00 0.48 0.00 0.00 55.95 57.37 3pva s SER 3 Cb -0.03 0.90 0.00 0.00 0.10 0.00 0.00 66.02 66.99 3pva s SER 3 CO 0.03 -0.36 0.53 -1.48 0.98 0.00 0.00 173.24 172.95 3pva s LEU 4 N -0.36 0.18 0.02 2.42 2.34 -0.17 -0.02 118.68 123.10 3pva s LEU 4 Ca -0.03 -0.84 0.01 0.00 0.06 0.00 0.00 54.13 53.33 3pva s LEU 4 Cb -0.03 2.00 -0.01 0.00 -0.56 0.00 0.00 46.19 47.59 3pva s LEU 4 CO 0.03 -1.18 -0.05 -0.94 -1.06 0.00 0.00 176.35 173.14 3pva s SER 5 N -2.99 0.54 0.30 1.48 1.04 -0.22 -0.31 113.70 113.55 3pva s SER 5 Ca 0.19 -0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.31 3pva s SER 5 Cb -0.02 0.02 -0.06 0.00 0.10 0.00 0.00 66.02 66.06 3pva s SER 5 CO 0.08 -0.13 0.05 0.27 0.98 0.00 0.00 173.24 174.49 3pva s ILE 6 N -0.89 1.09 -0.10 -1.02 -0.00 0.66 -4.91 121.20 116.03 3pva s ILE 6 Ca -0.07 -2.01 0.04 0.00 -0.00 0.00 0.00 60.65 58.61 3pva s ILE 6 Cb -0.07 -2.70 -0.00 0.00 -0.00 0.00 0.00 42.46 39.69 3pva s ILE 6 CO -0.00 -0.05 -0.24 -0.60 -0.00 0.00 0.00 174.94 174.05 3pva s ARG 7 N -3.90 3.06 0.75 0.37 6.06 -1.26 -1.26 118.95 122.76 3pva s ARG 7 Ca 0.36 -0.87 -0.09 0.00 -2.50 0.00 0.00 55.73 52.62 3pva s ARG 7 Cb 0.08 -2.31 0.17 0.00 0.06 0.00 0.00 34.95 32.94 3pva s ARG 7 CO 0.14 0.17 1.02 0.25 -2.50 0.00 0.00 175.30 174.39 3pva n THR 8 N 3.54 0.00 0.90 4.11 -2.24 0.79 -4.50 114.28 116.88 3pva n THR 8 Ca -0.19 -0.99 0.13 0.00 -2.27 0.00 0.00 64.05 60.73 3pva n THR 8 Cb 0.53 -1.38 0.38 0.00 -2.10 0.00 0.00 70.33 67.76 3pva n THR 8 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3pva n THR 9 N -3.23 0.11 1.16 4.28 -2.24 0.11 -3.58 114.28 110.90 3pva n THR 9 Ca 0.14 -0.07 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 3pva n THR 9 Cb 0.49 -0.13 0.63 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.66 0.00 -1.76 3.42 2.03 -1.22 -4.87 116.55 112.49 3pva n ASP 10 Ca 0.06 0.01 -0.10 0.00 0.52 0.00 0.00 54.79 55.27 3pva n ASP 10 Cb 0.36 -0.32 0.03 0.00 -0.72 0.00 0.00 41.12 40.47 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 -1.32 -3.83 -4.63 1.67 8.00 -1.23 -5.03 116.55 110.17 3pva n ASP 11 Ca 0.11 -0.21 -0.33 0.00 0.71 0.00 0.00 54.79 55.07 3pva n ASP 11 Cb 0.22 -2.45 -0.10 0.00 -0.02 0.00 0.00 41.12 38.77 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 -5.47 2.72 -0.12 -1.24 1.02 -1.26 -4.93 119.74 110.46 3pva s LYS 12 Ca 0.23 -0.61 -0.02 0.00 0.02 0.00 0.00 55.97 55.59 3pva s LYS 12 Cb -0.10 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.57 3pva s LYS 12 CO 0.29 0.63 -0.06 -1.12 -0.92 0.00 0.00 175.35 174.18 3pva s SER 13 N -1.28 4.69 0.03 2.83 0.01 -1.26 -0.15 113.70 118.57 3pva s SER 13 Ca 0.16 -0.10 0.05 0.00 1.31 0.00 0.00 55.95 57.37 3pva s SER 13 Cb -0.11 -1.56 -0.02 0.00 0.21 0.00 0.00 66.02 64.54 3pva s SER 13 CO 0.07 0.24 -0.15 -0.76 0.41 0.00 0.00 173.24 173.05 3pva s LEU 14 N -0.07 2.14 0.00 2.44 1.02 -0.39 -0.41 118.68 123.40 3pva s LEU 14 Ca 0.01 -0.42 0.05 0.00 0.02 0.00 0.00 54.13 53.79 3pva s LEU 14 Cb -0.13 -0.65 -0.01 0.00 0.02 0.00 0.00 46.19 45.41 3pva s LEU 14 CO 0.03 0.07 -0.15 0.12 0.02 0.00 0.00 176.35 176.44 3pva s PHE 15 N -0.73 1.32 0.04 0.29 5.36 -0.02 -0.24 117.98 123.99 3pva s PHE 15 Ca 0.03 -0.28 -0.03 0.00 -0.96 0.00 0.00 56.93 55.69 3pva s PHE 15 Cb -0.07 -0.83 -0.02 0.00 -0.34 0.00 0.00 43.02 41.76 3pva s PHE 15 CO 0.01 -0.00 0.03 0.00 -1.46 0.00 0.00 175.22 173.80 3pva s ALA 16 N -0.49 0.14 0.04 11.12 0.00 0.58 -0.21 121.76 132.96 3pva s ALA 16 Ca 0.05 -0.75 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 3pva s ALA 16 Cb -0.06 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.34 3pva s ALA 16 CO 0.00 -0.30 0.47 -0.98 0.00 0.00 0.00 175.76 174.96 3pva s ARG 17 N -2.72 0.98 0.06 0.00 1.04 -0.46 -1.00 118.95 116.85 3pva s ARG 17 Ca -0.04 -0.28 0.03 0.00 -1.04 0.00 0.00 55.73 54.40 3pva s ARG 17 Cb -0.01 0.44 -0.04 0.00 -2.04 0.00 0.00 34.95 33.31 3pva s ARG 17 CO -0.05 -0.34 0.04 0.95 -0.04 0.00 0.00 175.30 175.85 3pva s THR 18 N -2.42 4.33 -0.35 4.99 -4.23 0.19 -0.97 115.64 117.17 3pva s THR 18 Ca -0.05 -0.78 -0.03 0.00 -1.18 0.00 0.00 61.69 59.65 3pva s THR 18 Cb -0.01 -3.05 0.08 0.00 1.34 0.00 0.00 72.50 70.86 3pva s THR 18 CO -0.02 0.18 0.10 -0.32 -0.54 0.00 0.00 174.62 174.03 3pva s MET 19 N -2.18 2.22 -0.38 3.99 1.75 -0.65 -3.43 119.30 120.63 3pva s MET 19 Ca 0.26 -1.53 -0.08 0.00 -1.25 0.00 0.00 55.69 53.10 3pva s MET 19 Cb -0.12 -3.39 0.06 0.00 2.84 0.00 0.00 34.83 34.22 3pva s MET 19 CO 0.18 -0.84 0.18 -0.51 -0.65 0.00 0.00 175.02 173.39 3pva s ASP 20 N 1.51 5.47 0.14 1.11 1.01 -1.26 -1.21 116.67 123.44 3pva s ASP 20 Ca 0.02 -1.36 -0.02 0.00 0.71 0.00 0.00 52.55 51.90 3pva s ASP 20 Cb -0.21 -1.92 -0.04 0.00 1.01 0.00 0.00 42.92 41.76 3pva s ASP 20 CO -0.02 -0.44 0.08 0.12 0.21 0.00 0.00 175.17 175.12 3pva s PHE 21 N 1.40 0.85 -0.96 4.23 5.36 -1.02 -4.37 117.98 123.46 3pva s PHE 21 Ca 0.01 -1.21 0.26 0.00 -0.96 0.00 0.00 56.93 55.04 3pva s PHE 21 Cb -0.21 -0.45 0.67 0.00 -0.34 0.00 0.00 43.02 42.69 3pva s PHE 21 CO 0.02 -0.55 1.53 0.25 -1.46 0.00 0.00 175.22 175.02 3pva n THR 22 N -0.12 0.04 -3.86 0.12 -2.24 -1.26 -2.90 114.28 104.06 3pva n THR 22 Ca -0.05 -0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 61.60 3pva n THR 22 Cb 0.64 0.03 -0.08 0.00 -2.10 0.00 0.00 70.33 68.81 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 -3.02 0.68 -0.57 -0.78 -2.45 -1.26 -4.76 119.30 107.13 3pva s MET 23 Ca 0.11 -0.67 -0.03 0.00 -1.25 0.00 0.00 55.69 53.85 3pva s MET 23 Cb 0.17 0.28 0.15 0.00 1.25 0.00 0.00 34.83 36.68 3pva s MET 23 CO 0.66 -0.19 0.39 -1.21 1.05 0.00 0.00 175.02 175.72 3pva s GLU 24 N -2.64 2.45 0.58 4.11 2.02 -1.26 -5.08 118.70 118.88 3pva s GLU 24 Ca -0.05 -2.35 -0.19 0.00 0.02 0.00 0.00 54.97 52.40 3pva s GLU 24 Cb -0.01 -3.71 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 3pva s GLU 24 CO -0.04 -1.15 1.22 -1.25 0.02 0.00 0.00 175.26 174.05 3pva s PRO 25 N 0.24 3.06 -0.06 0.39 0.04 -1.26 -4.82 135.00 132.60 3pva s PRO 25 Ca 0.15 1.85 -0.31 0.00 0.04 0.00 0.00 61.00 62.73 3pva s PRO 25 Cb -0.21 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 3pva s PRO 25 CO -0.04 -1.14 1.99 -0.25 0.04 0.00 0.00 177.00 177.61 3pva n ASP 26 N -1.44 3.73 -4.20 6.66 8.00 -1.26 -4.92 116.55 123.13 3pva n ASP 26 Ca 0.13 0.81 -0.19 0.00 0.71 0.00 0.00 54.79 56.24 3pva n ASP 26 Cb 0.49 -1.47 -0.12 0.00 -0.02 0.00 0.00 41.12 40.00 3pva n ASP 26 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3pva s SER 27 N 5.02 1.86 0.24 -2.24 0.01 -1.26 -4.53 113.70 112.80 3pva s SER 27 Ca 0.93 -0.64 -0.19 0.00 1.31 0.00 0.00 55.95 57.37 3pva s SER 27 Cb -0.52 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 65.66 3pva s SER 27 CO 0.45 -0.05 0.61 -1.59 0.41 0.00 0.00 173.24 173.06 3pva s LYS 28 N -1.80 1.59 -0.07 12.44 0.00 -0.94 -4.64 119.74 126.31 3pva s LYS 28 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 55.97 54.75 3pva s LYS 28 Cb -0.10 0.56 -0.03 0.00 0.00 0.00 0.00 37.83 38.26 3pva s LYS 28 CO 0.03 -0.70 0.78 0.54 0.00 0.00 0.00 175.35 176.00 3pva s VAL 29 N -3.91 4.98 -0.09 1.79 0.11 0.13 -2.33 120.40 121.08 3pva s VAL 29 Ca 0.12 1.61 0.01 0.00 -2.93 0.00 0.00 61.98 60.80 3pva s VAL 29 Cb -0.03 -4.12 -0.02 0.00 -1.53 0.00 0.00 36.38 30.68 3pva s VAL 29 CO 0.03 0.20 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.24 3pva s ILE 30 N 1.05 3.17 -0.22 7.04 1.01 0.05 -0.31 121.20 132.99 3pva s ILE 30 Ca 0.41 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 3pva s ILE 30 Cb -0.18 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 3pva s ILE 30 CO 0.20 0.56 0.08 -0.63 0.00 0.00 0.00 174.94 175.14 3pva s ILE 31 N -0.24 4.61 -0.27 2.92 1.01 0.71 -2.19 121.20 127.75 3pva s ILE 31 Ca 0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 3pva s ILE 31 Cb -0.13 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 3pva s ILE 31 CO 0.03 0.39 0.07 -0.69 0.00 0.00 0.00 174.94 174.73 3pva s VAL 32 N 1.04 4.08 0.59 2.92 1.01 0.98 -2.60 120.40 128.42 3pva s VAL 32 Ca 0.04 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 3pva s VAL 32 Cb -0.14 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 3pva s VAL 32 CO 0.03 0.23 1.01 -2.16 0.00 0.00 0.00 175.10 174.21 3pva s PRO 33 N 1.55 3.69 0.50 2.72 0.04 -1.26 -0.40 135.00 141.84 3pva s PRO 33 Ca 0.05 0.79 -0.21 0.00 0.04 0.00 0.00 61.00 61.66 3pva s PRO 33 Cb -0.16 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 3pva s PRO 33 CO 0.02 -0.48 0.84 0.54 0.04 0.00 0.00 177.00 177.97 3pva n ARG 34 N -2.41 0.96 -3.39 4.56 1.74 0.12 -2.71 116.66 115.53 3pva n ARG 34 Ca 0.06 0.36 -0.25 0.00 -0.77 0.00 0.00 57.85 57.25 3pva n ARG 34 Cb 0.54 -1.94 0.02 0.00 -1.02 0.00 0.00 32.46 30.06 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 0.26 -4.94 0.10 0.55 5.03 0.67 -4.77 115.26 112.14 3pva n ASN 35 Ca 0.11 -0.45 -0.21 0.00 0.87 0.00 0.00 54.58 54.91 3pva n ASN 35 Cb 0.43 -4.00 -0.15 0.00 -1.02 0.00 0.00 39.78 35.04 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 -1.47 0.69 0.00 3.10 3.20 -1.72 -3.46 116.97 117.31 3pva h TYR 36 Ca -0.51 -0.50 0.00 0.00 3.14 0.00 0.00 58.73 60.86 3pva h TYR 36 Cb 1.34 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.58 3pva h TYR 36 CO 0.59 1.50 0.00 0.41 -1.64 0.00 0.00 178.16 179.02 3pva n GLY 37 N 1.71 -1.18 3.09 1.82 0.00 -1.26 -4.94 105.19 104.43 3pva n GLY 37 Ca -0.17 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.66 1.40 0.84 -0.61 -1.09 0.20 -4.89 121.20 116.39 3pva s ILE 38 Ca 0.00 -0.65 -0.12 0.00 -2.23 0.00 0.00 60.65 57.65 3pva s ILE 38 Cb 0.00 -1.24 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 0.00 174.94 175.17 3pva s ARG 39 N 0.45 1.49 -0.19 2.79 1.81 -1.26 -1.17 118.95 122.88 3pva s ARG 39 Ca -0.13 1.64 0.02 0.00 -1.72 0.00 0.00 55.73 55.54 3pva s ARG 39 Cb -0.15 -1.77 -0.13 0.00 -0.45 0.00 0.00 34.95 32.45 3pva s ARG 39 CO 0.05 -2.30 -0.15 -0.11 -0.68 0.00 0.00 175.30 172.11 3pva n LEU 40 N -3.61 2.80 -4.18 2.53 7.94 -1.20 -4.82 117.00 116.45 3pva n LEU 40 Ca 0.13 -0.10 -0.20 0.00 -1.11 0.00 0.00 56.01 54.73 3pva n LEU 40 Cb 0.51 -0.60 -0.13 0.00 0.53 0.00 0.00 43.42 43.74 3pva n LEU 40 CO 0.49 0.79 -0.47 -0.76 -1.11 0.00 0.00 177.39 176.33 3pva s LEU 41 N -6.04 2.23 0.35 -1.96 1.02 -1.26 -0.83 118.68 112.18 3pva s LEU 41 Ca -0.24 -0.55 0.21 0.00 0.02 0.00 0.00 54.13 53.57 3pva s LEU 41 Cb 0.06 -0.64 0.21 0.00 0.02 0.00 0.00 46.19 45.85 3pva s LEU 41 CO 0.45 0.01 1.45 -0.08 0.02 0.00 0.00 176.35 178.19 3pva h GLU 42 N 4.59 0.00 -0.59 1.70 4.57 -1.94 -3.25 114.58 119.66 3pva h GLU 42 Ca -0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 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 0.42 0.10 0.00 1.63 -1.18 0.00 0.00 179.01 179.98 3pva n LYS 43 N -3.04 3.14 -4.21 1.92 5.02 -1.26 -4.90 118.16 114.83 3pva n LYS 43 Ca 0.02 -2.63 -0.17 0.00 -2.02 0.00 0.00 58.31 53.52 3pva n LYS 43 Cb 0.58 -1.64 -0.13 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.42 0.71 -0.10 1.97 2.02 -1.23 -5.06 118.70 115.60 3pva s GLU 44 Ca 0.44 -0.69 0.19 0.00 0.02 0.00 0.00 54.97 54.93 3pva s GLU 44 Cb 0.26 -0.64 0.72 0.00 0.10 0.00 0.00 34.13 34.57 3pva s GLU 44 CO 0.25 0.15 1.63 0.27 0.02 0.00 0.00 175.26 177.58 3pva n ASN 45 N 1.86 4.70 -4.71 -0.19 0.23 -1.26 -4.52 115.26 111.37 3pva n ASN 45 Ca -0.19 -2.39 -0.42 0.00 -0.53 0.00 0.00 54.58 51.05 3pva n ASN 45 Cb 0.55 -0.58 -0.03 0.00 -2.08 0.00 0.00 39.78 37.65 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 -1.74 3.21 -0.18 3.53 1.01 -1.26 -5.00 120.40 119.97 3pva s VAL 46 Ca 0.51 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.29 3pva s VAL 46 Cb 0.32 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 33.20 3pva s VAL 46 CO 0.26 0.04 -0.17 -0.69 0.00 0.00 0.00 175.10 174.54 3pva s VAL 47 N 1.64 2.40 -0.11 2.92 1.01 -1.26 -3.23 120.40 123.77 3pva s VAL 47 Ca 0.67 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 3pva s VAL 47 Cb -0.38 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 3pva s VAL 47 CO 0.30 0.52 0.57 -0.63 0.00 0.00 0.00 175.10 175.85 3pva s ILE 48 N 1.17 5.12 -0.02 2.22 -1.09 -0.32 -4.84 121.20 123.44 3pva s ILE 48 Ca 0.02 1.14 -0.30 0.00 -2.23 0.00 0.00 60.65 59.28 3pva s ILE 48 Cb -0.14 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 3pva s ILE 48 CO -0.07 0.27 1.07 0.21 -1.23 0.00 0.00 174.94 175.18 3pva s ASN 49 N 0.77 7.23 -0.17 3.58 3.84 -1.26 -0.63 114.94 128.29 3pva s ASN 49 Ca 0.30 1.72 -0.23 0.00 0.21 0.00 0.00 52.86 54.86 3pva s ASN 49 Cb -0.16 -2.57 -0.02 0.00 -0.55 0.00 0.00 41.25 37.95 3pva s ASN 49 CO 0.13 -0.40 0.73 0.54 -2.79 0.00 0.00 177.10 175.31 3pva s ASN 50 N 1.12 6.85 0.24 -4.21 4.22 -1.26 -4.91 114.94 116.99 3pva s ASN 50 Ca 0.53 1.03 -0.05 0.00 -2.14 0.00 0.00 52.86 52.24 3pva s ASN 50 Cb -0.23 -2.40 0.27 0.00 1.28 0.00 0.00 41.25 40.17 3pva s ASN 50 CO 0.25 -0.31 1.79 0.28 -2.04 0.00 0.00 177.10 177.06 3pva h SER 51 N 7.33 0.94 -3.45 3.54 0.02 -1.70 0.19 113.55 120.41 3pva h SER 51 Ca -0.32 -0.17 -0.66 0.00 -0.84 0.00 0.00 61.79 59.81 3pva h SER 51 Cb 1.14 -0.25 -0.14 0.00 0.14 0.00 0.00 62.40 63.30 3pva h SER 51 CO 0.80 0.88 -0.69 -0.31 -1.14 0.00 0.00 176.83 176.37 3pva s TYR 52 N -5.34 2.89 0.37 3.45 2.02 0.69 -4.62 117.35 116.80 3pva s TYR 52 Ca -0.11 -0.07 -0.20 0.00 -0.37 0.00 0.00 57.07 56.32 3pva s TYR 52 Cb 0.15 -1.51 -0.10 0.00 -0.40 0.00 0.00 41.96 40.10 3pva s TYR 52 CO 0.82 0.45 0.86 0.00 -1.57 0.00 0.00 175.55 176.11 3pva s ALA 53 N -1.23 3.18 0.10 3.71 0.00 -1.26 -4.38 121.76 121.88 3pva s ALA 53 Ca 0.23 0.28 -0.21 0.00 0.00 0.00 0.00 51.96 52.26 3pva s ALA 53 Cb -0.11 -3.00 0.05 0.00 0.00 0.00 0.00 23.12 20.06 3pva s ALA 53 CO 0.15 0.22 0.52 -0.59 0.00 0.00 0.00 175.76 176.06 3pva s PHE 54 N -2.00 -0.41 -0.00 0.00 -0.12 0.46 -1.93 117.98 113.98 3pva s PHE 54 Ca 0.57 0.30 0.03 0.00 -0.05 0.00 0.00 56.93 57.77 3pva s PHE 54 Cb -0.11 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.66 3pva s PHE 54 CO 0.16 -0.72 -0.10 0.54 -0.05 0.00 0.00 175.22 175.05 3pva s VAL 55 N -3.17 0.75 0.00 -2.49 0.11 0.33 -0.01 120.40 115.91 3pva s VAL 55 Ca -0.01 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 3pva s VAL 55 Cb -0.00 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 3pva s VAL 55 CO -0.08 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.47 3pva n GLY 56 N 2.73 0.77 3.83 6.54 0.00 -0.93 -0.74 105.19 117.40 3pva n GLY 56 Ca -0.14 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.14 3.64 0.00 1.61 -2.45 -1.22 -0.77 119.30 119.97 3pva s MET 57 Ca 0.00 -0.17 0.00 0.00 -1.25 0.00 0.00 55.69 54.27 3pva s MET 57 Cb 0.00 -3.24 0.00 0.00 1.25 0.00 0.00 34.83 32.84 3pva s MET 57 CO 0.00 0.64 0.00 0.41 1.05 0.00 0.00 175.02 177.12 3pva n GLY 58 N 2.44 1.34 3.21 2.11 0.00 -0.98 -0.00 105.19 113.30 3pva n GLY 58 Ca -0.19 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.64 2.17 -0.16 1.61 0.15 0.12 -2.22 113.70 114.71 3pva s SER 59 Ca 0.00 -0.51 0.17 0.00 0.70 0.00 0.00 55.95 56.31 3pva s SER 59 Cb 0.00 -0.16 0.48 0.00 -1.71 0.00 0.00 66.02 64.63 3pva s SER 59 CO 0.00 0.10 1.37 0.35 1.20 0.00 0.00 173.24 176.27 3pva n THR 60 N 1.81 2.16 0.63 6.45 -2.24 -1.26 0.02 114.28 121.84 3pva n THR 60 Ca -0.18 -1.88 0.13 0.00 -2.27 0.00 0.00 64.05 59.85 3pva n THR 60 Cb 0.54 -0.21 0.41 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.58 0.81 -2.61 3.42 8.00 -1.26 -4.84 116.55 119.48 3pva n ASP 61 Ca 0.20 0.58 -0.07 0.00 0.71 0.00 0.00 54.79 56.21 3pva n ASP 61 Cb 0.83 -0.79 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 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 0.04 0.53 -5.35 -1.26 -5.02 119.36 106.04 3pva n ILE 62 Ca 0.06 -0.51 -0.13 0.00 -0.27 0.00 0.00 62.75 61.90 3pva n ILE 62 Cb 0.43 -0.14 -0.08 0.00 -1.74 0.00 0.00 39.64 38.11 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 0.80 0.00 -2.49 7.28 2.02 -1.96 -3.43 112.91 115.13 3pva h THR 63 Ca -0.09 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.56 3pva h THR 63 Cb 0.28 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 3pva h THR 63 CO 0.14 0.00 -0.50 -0.44 0.37 0.00 0.00 175.52 175.09 3pva s SER 64 N -4.34 5.94 0.27 4.18 0.01 -1.26 -5.00 113.70 113.50 3pva s SER 64 Ca -0.13 -0.01 -0.31 0.00 1.31 0.00 0.00 55.95 56.82 3pva s SER 64 Cb 0.05 -1.67 -0.12 0.00 0.21 0.00 0.00 66.02 64.49 3pva s SER 64 CO 0.50 0.02 1.58 -2.65 0.41 0.00 0.00 173.24 173.10 3pva n PRO 65 N -0.71 2.56 -3.63 12.44 -0.02 -1.26 -4.87 135.00 139.51 3pva n PRO 65 Ca -0.08 0.91 -0.38 0.00 -2.02 0.00 0.00 63.50 61.93 3pva n PRO 65 Cb 0.55 -2.68 -0.11 0.00 -0.02 0.00 0.00 33.50 31.24 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 0.18 4.94 -0.11 -1.45 1.01 0.10 -4.83 120.40 120.25 3pva s VAL 66 Ca 0.67 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.50 3pva s VAL 66 Cb -0.53 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3pva s VAL 66 CO 0.46 0.18 0.06 -0.76 0.00 0.00 0.00 175.10 175.04 3pva s LEU 67 N 1.69 3.91 -0.05 3.92 1.02 -1.26 0.10 118.68 128.01 3pva s LEU 67 Ca 0.06 0.26 0.13 0.00 0.02 0.00 0.00 54.13 54.61 3pva s LEU 67 Cb -0.16 -1.93 -0.22 0.00 0.02 0.00 0.00 46.19 43.89 3pva s LEU 67 CO 0.08 0.37 0.62 -1.22 0.02 0.00 0.00 176.35 176.23 3pva n TYR 68 N 2.23 0.91 -3.84 0.29 4.01 1.00 -4.62 117.16 117.14 3pva n TYR 68 Ca -0.19 0.33 -0.06 0.00 -0.16 0.00 0.00 57.90 57.82 3pva n TYR 68 Cb 0.54 -1.16 0.02 0.00 -0.31 0.00 0.00 39.34 38.43 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 -6.01 -0.01 0.00 7.72 1.47 -1.21 -0.64 116.67 117.99 3pva s ASP 69 Ca -0.05 -0.89 0.00 0.00 1.18 0.00 0.00 52.55 52.79 3pva s ASP 69 Cb 0.08 0.68 0.00 0.00 -0.34 0.00 0.00 42.92 43.34 3pva s ASP 69 CO 0.82 -1.35 0.00 0.61 0.68 0.00 0.00 175.17 175.94 3pva n GLY 70 N -0.60 2.03 3.39 2.12 0.00 -0.48 -3.39 105.19 108.26 3pva n GLY 70 Ca -0.06 -1.37 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.94 2.13 0.64 1.61 1.01 0.09 -2.51 120.40 121.43 3pva s VAL 71 Ca 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 61.98 59.92 3pva s VAL 71 Cb 0.00 -2.03 0.07 0.00 0.00 0.00 0.00 36.38 34.42 3pva s VAL 71 CO 0.00 -0.26 0.89 0.20 0.00 0.00 0.00 175.10 175.93 3pva s ASN 72 N -2.82 4.85 0.07 3.32 0.02 -0.46 -0.52 114.94 119.39 3pva s ASN 72 Ca 0.20 -0.09 0.27 0.00 -1.02 0.00 0.00 52.86 52.22 3pva s ASN 72 Cb -0.06 -0.56 0.94 0.00 0.02 0.00 0.00 41.25 41.58 3pva s ASN 72 CO 0.09 -1.49 1.76 -1.84 0.02 0.00 0.00 177.10 175.64 3pva n GLU 73 N -2.61 0.10 0.01 -0.60 0.28 -0.81 -2.76 120.64 114.24 3pva n GLU 73 Ca 0.11 0.07 0.11 0.00 -0.16 0.00 0.00 57.16 57.28 3pva n GLU 73 Cb 0.60 -1.60 0.01 0.00 1.43 0.00 0.00 31.44 31.88 3pva n GLU 73 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3pva n LYS 74 N -1.76 0.14 0.00 3.44 4.01 -1.26 -4.99 118.16 117.74 3pva n LYS 74 Ca 0.06 -0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 3pva n LYS 74 Cb 0.37 -1.53 0.00 0.00 -0.51 0.00 0.00 35.03 33.36 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 1.44 0.38 3.74 0.72 0.00 -1.11 -4.74 105.19 105.62 3pva n GLY 75 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 4.52 0.12 0.99 2.96 -1.26 -3.09 118.68 122.91 3pva s LEU 76 Ca 0.00 2.03 0.09 0.00 -0.22 0.00 0.00 54.13 56.03 3pva s LEU 76 Cb 0.00 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 3pva s LEU 76 CO 0.00 -0.14 -0.22 -0.04 -1.32 0.00 0.00 176.35 174.63 3pva s MET 77 N -0.48 1.23 -0.07 1.98 -1.94 0.16 -1.36 119.30 118.82 3pva s MET 77 Ca 0.47 -1.25 -0.32 0.00 -1.71 0.00 0.00 55.69 52.88 3pva s MET 77 Cb -0.28 -1.54 0.13 0.00 2.01 0.00 0.00 34.83 35.15 3pva s MET 77 CO 0.34 0.36 1.34 0.20 -0.01 0.00 0.00 175.02 177.25 3pva s GLY 78 N -2.05 -0.43 -0.02 -0.03 0.00 -1.04 0.54 107.32 104.28 3pva s GLY 78 Ca 0.10 0.89 -0.29 0.00 0.00 0.00 0.00 44.72 45.42 3pva s GLY 78 CO 0.05 0.18 0.70 0.00 0.00 0.00 0.00 173.10 174.04 3pva s ALA 79 N -2.26 -1.76 -0.10 3.20 0.00 -0.67 -1.38 121.76 118.79 3pva s ALA 79 Ca 0.14 1.19 -0.21 0.00 0.00 0.00 0.00 51.96 53.08 3pva s ALA 79 Cb 0.05 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3pva s ALA 79 CO -0.05 -0.45 0.60 -1.64 0.00 0.00 0.00 175.76 174.22 3pva s MET 80 N -1.70 4.37 0.13 0.00 -1.94 0.18 -2.74 119.30 117.61 3pva s MET 80 Ca -0.08 0.67 0.06 0.00 -1.71 0.00 0.00 55.69 54.63 3pva s MET 80 Cb -0.00 -3.46 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 3pva s MET 80 CO 0.05 0.06 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.48 3pva s LEU 81 N 0.87 2.44 0.56 -0.03 1.02 -0.64 -4.92 118.68 117.98 3pva s LEU 81 Ca 0.32 -0.86 -0.20 0.00 0.02 0.00 0.00 54.13 53.41 3pva s LEU 81 Cb -0.16 -0.53 -0.05 0.00 0.02 0.00 0.00 46.19 45.47 3pva s LEU 81 CO 0.14 -0.17 1.20 -0.47 0.02 0.00 0.00 176.35 177.06 3pva s TYR 82 N -2.39 2.49 -0.38 0.29 5.04 -1.26 -0.72 117.35 120.42 3pva s TYR 82 Ca 0.11 1.51 0.12 0.00 -2.44 0.00 0.00 57.07 56.37 3pva s TYR 82 Cb -0.03 -3.46 0.37 0.00 0.35 0.00 0.00 41.96 39.18 3pva s TYR 82 CO 0.03 -2.07 0.87 0.98 -1.34 0.00 0.00 175.55 174.02 3pva n TYR 83 N -1.36 -0.30 -1.69 4.97 9.36 0.05 -4.17 117.16 124.02 3pva n TYR 83 Ca 0.12 -3.26 -0.43 0.00 3.32 0.00 0.00 57.90 57.65 3pva n TYR 83 Cb 0.49 0.04 -0.01 0.00 -0.63 0.00 0.00 39.34 39.23 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 0.19 1.12 -0.11 2.98 0.00 -1.26 -1.80 120.51 121.63 3pva n ALA 84 Ca 0.18 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3pva n ALA 84 Cb 0.70 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 0.34 0.00 0.00 0.00 -1.04 -1.26 -4.66 114.28 107.66 3pva n THR 85 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3pva n THR 85 Cb 0.35 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 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 -2.00 0.00 -1.86 -1.42 3.72 -1.06 -5.02 117.46 109.82 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 -1.98 3.65 -0.12 4.37 0.00 -0.75 -4.05 121.76 122.89 3pva s ALA 87 Ca 0.00 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.16 3pva s ALA 87 Cb 0.00 -3.76 0.02 0.00 0.00 0.00 0.00 23.12 19.38 3pva s ALA 87 CO 0.00 -1.32 -0.12 0.99 0.00 0.00 0.00 175.76 175.31 3pva s THR 88 N 3.50 1.34 0.04 0.00 2.01 0.11 -4.91 115.64 117.73 3pva s THR 88 Ca 0.78 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 62.32 3pva s THR 88 Cb -0.40 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 3pva s THR 88 CO 0.34 0.42 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.26 3pva s TYR 89 N 1.32 2.73 0.81 4.92 2.02 -1.26 -4.59 117.35 123.30 3pva s TYR 89 Ca -0.00 -0.15 -0.12 0.00 -0.37 0.00 0.00 57.07 56.43 3pva s TYR 89 Cb -0.14 -1.52 0.08 0.00 -0.40 0.00 0.00 41.96 39.98 3pva s TYR 89 CO -0.06 0.34 1.16 0.00 -1.57 0.00 0.00 175.55 175.42 3pva s ALA 90 N -1.02 2.56 -0.12 3.71 0.00 -0.95 -4.53 121.76 121.42 3pva s ALA 90 Ca 0.17 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.46 3pva s ALA 90 Cb -0.11 -2.98 -0.26 0.00 0.00 0.00 0.00 23.12 19.77 3pva s ALA 90 CO 0.08 -1.67 0.39 -0.44 0.00 0.00 0.00 175.76 174.11 3pva h ASP 91 N -1.05 0.38 -4.14 0.00 3.32 -1.96 -1.21 116.42 111.75 3pva h ASP 91 Ca -0.46 -0.89 -0.52 0.00 0.02 0.00 0.00 57.03 55.18 3pva h ASP 91 Cb 1.32 -0.12 -0.21 0.00 0.22 0.00 0.00 39.33 40.53 3pva h ASP 91 CO 0.65 1.79 -0.81 -1.61 -1.72 0.00 0.00 179.24 177.54 3pva s GLU 92 N -2.53 1.08 0.59 3.56 0.41 -1.26 -4.74 118.70 115.81 3pva s GLU 92 Ca -0.22 -1.17 -0.20 0.00 -0.41 0.00 0.00 54.97 52.97 3pva s GLU 92 Cb 0.06 -1.25 -0.04 0.00 -1.78 0.00 0.00 34.13 31.12 3pva s GLU 92 CO 0.75 0.28 1.25 -2.30 -0.49 0.00 0.00 175.26 174.76 3pva n PRO 93 N 0.97 1.33 -1.79 0.39 -0.02 -1.26 -4.96 135.00 129.65 3pva n PRO 93 Ca -0.19 0.50 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 3pva n PRO 93 Cb 0.54 -2.47 0.05 0.00 -0.02 0.00 0.00 33.50 31.60 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 -3.00 2.79 -0.31 -0.52 -0.14 -1.26 -4.86 119.74 112.44 3pva s LYS 94 Ca 0.76 1.49 -0.41 0.00 -1.36 0.00 0.00 55.97 56.46 3pva s LYS 94 Cb -0.41 -1.94 -0.16 0.00 -1.68 0.00 0.00 37.83 33.64 3pva s LYS 94 CO 0.46 -1.27 1.78 0.36 -0.76 0.00 0.00 175.35 175.92 3pva n LYS 95 N -2.26 1.02 0.00 1.68 0.00 -1.26 -2.04 118.16 115.30 3pva n LYS 95 Ca 0.11 0.37 0.00 0.00 -0.00 0.00 0.00 58.31 58.79 3pva n LYS 95 Cb 0.51 -2.06 0.00 0.00 -0.00 0.00 0.00 35.03 33.48 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 4.46 3.03 3.74 2.58 0.00 -1.26 -5.05 105.19 112.69 3pva n GLY 96 Ca 0.29 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 3pva n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3pva s THR 97 N -0.52 2.81 0.05 2.61 -4.23 -0.86 -5.01 115.64 110.49 3pva s THR 97 Ca 0.00 0.26 0.04 0.00 -1.18 0.00 0.00 61.69 60.81 3pva s THR 97 Cb 0.00 -2.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 3pva s THR 97 CO 0.00 -0.34 -0.00 -0.89 -0.54 0.00 0.00 174.62 172.84 3pva s THR 98 N -2.99 4.04 0.44 3.99 2.01 -0.23 -4.68 115.64 118.21 3pva s THR 98 Ca 0.63 -0.85 -0.23 0.00 0.31 0.00 0.00 61.69 61.55 3pva s THR 98 Cb -0.17 -2.87 -0.08 0.00 0.01 0.00 0.00 72.50 69.38 3pva s THR 98 CO 0.56 0.22 1.07 -0.83 -0.69 0.00 0.00 174.62 174.95 3pva s GLY 99 N -2.01 2.67 -0.01 4.40 0.00 -1.26 -0.75 107.32 110.36 3pva s GLY 99 Ca 0.23 0.71 0.02 0.00 0.00 0.00 0.00 44.72 45.68 3pva s GLY 99 CO 0.15 1.11 -0.06 -1.50 0.00 0.00 0.00 173.10 172.80 3pva s ILE 100 N -1.74 0.55 0.06 0.90 2.07 0.66 -4.47 121.20 119.23 3pva s ILE 100 Ca 0.62 -0.26 -0.31 0.00 -1.41 0.00 0.00 60.65 59.29 3pva s ILE 100 Cb -0.21 -0.49 -0.05 0.00 0.13 0.00 0.00 42.46 41.83 3pva s ILE 100 CO 0.26 0.17 1.18 0.21 -1.91 0.00 0.00 174.94 174.86 3pva s ASN 101 N 0.08 7.11 0.58 4.50 3.84 -0.01 -1.47 114.94 129.56 3pva s ASN 101 Ca -0.01 1.99 0.28 0.00 0.21 0.00 0.00 52.86 55.34 3pva s ASN 101 Cb -0.06 -2.58 1.49 0.00 -0.55 0.00 0.00 41.25 39.56 3pva s ASN 101 CO -0.00 -0.45 1.94 -0.65 -2.79 0.00 0.00 177.10 175.15 3pva h PRO 102 N 6.75 0.00 0.00 0.43 0.11 -1.87 0.15 132.00 137.58 3pva h PRO 102 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 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 0.80 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.87 3pva h VAL 103 N 0.00 0.00 -0.02 3.15 2.07 -1.92 -3.23 116.25 116.31 3pva h VAL 103 Ca 0.22 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3pva h VAL 103 Cb 1.10 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 3pva h VAL 103 CO -0.00 0.00 -0.05 -1.22 0.02 0.00 0.00 177.57 176.32 3pva n TYR 104 N -2.72 0.00 -0.15 1.57 4.01 0.54 -4.52 117.16 115.89 3pva n TYR 104 Ca 0.02 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.73 3pva n TYR 104 Cb 0.32 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.41 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 3.04 0.80 -0.40 -0.72 2.07 -1.57 -1.87 116.25 117.59 3pva h VAL 105 Ca 0.00 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3pva h VAL 105 Cb 0.67 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3pva h VAL 105 CO 0.00 0.05 0.07 0.40 0.02 0.00 0.00 177.57 178.11 3pva h ILE 106 N 0.29 1.24 -0.34 4.57 1.08 -1.83 -0.01 117.51 122.51 3pva h ILE 106 Ca 0.23 -0.87 -0.01 0.00 -0.39 0.00 0.00 64.86 63.82 3pva h ILE 106 Cb 0.27 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 3pva h ILE 106 CO -0.27 0.30 0.16 0.28 -0.69 0.00 0.00 178.15 177.93 3pva h SER 107 N 0.51 0.46 -0.30 1.72 0.02 -1.78 0.22 113.55 114.40 3pva h SER 107 Ca 0.12 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3pva h SER 107 Cb 0.37 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3pva h SER 107 CO 0.01 0.47 0.14 1.56 -1.14 0.00 0.00 176.83 177.86 3pva h GLN 108 N 0.41 0.43 -0.20 3.45 1.08 -1.32 -0.64 115.11 118.33 3pva h GLN 108 Ca 0.12 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.21 3pva h GLN 108 Cb 0.14 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 3pva h GLN 108 CO -0.01 0.42 -0.02 0.28 -0.95 0.00 0.00 178.83 178.55 3pva h VAL 109 N 0.34 1.27 -0.44 -0.54 2.07 -0.73 -2.51 116.25 115.72 3pva h VAL 109 Ca 0.10 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 3pva h VAL 109 Cb 0.13 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3pva h VAL 109 CO -0.01 0.28 0.00 -0.07 0.02 0.00 0.00 177.57 177.79 3pva h LEU 110 N 0.11 0.67 -0.33 2.57 4.07 -0.55 -0.36 115.31 121.49 3pva h LEU 110 Ca 0.05 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.87 3pva h LEU 110 Cb 0.43 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.99 3pva h LEU 110 CO 0.01 0.74 0.00 0.61 -1.08 0.00 0.00 178.44 178.72 3pva n GLY 111 N -0.72 -1.46 0.00 0.83 0.00 -0.25 -4.31 105.19 99.28 3pva n GLY 111 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.17 0.17 -4.61 1.61 3.02 -0.77 -0.22 115.26 112.29 3pva n ASN 112 Ca 0.04 -0.67 -0.24 0.00 -0.03 0.00 0.00 54.58 53.68 3pva n ASN 112 Cb 0.32 0.11 -0.09 0.00 -0.61 0.00 0.00 39.78 39.51 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 -0.90 0.66 -3.43 0.00 0.31 -1.26 -4.78 118.33 108.93 3pva n VAL 114 Ca -0.05 -0.01 -0.21 0.00 -0.01 0.00 0.00 64.34 64.06 3pva n VAL 114 Cb 0.62 -1.66 0.00 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 -2.18 2.32 0.26 2.52 -4.23 -1.26 -4.25 115.64 108.82 3pva s THR 115 Ca -0.11 -1.25 -0.00 0.00 -1.18 0.00 0.00 61.69 59.15 3pva s THR 115 Cb 0.04 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 71.37 3pva s THR 115 CO 0.14 0.00 1.70 -0.37 -0.54 0.00 0.00 174.62 175.55 3pva h VAL 116 N 0.69 1.26 -0.52 2.29 -1.51 -1.95 -1.73 116.25 114.78 3pva h VAL 116 Ca -0.37 -1.27 -0.05 0.00 -1.23 0.00 0.00 66.70 63.78 3pva h VAL 116 Cb 1.28 1.27 -0.02 0.00 -2.13 0.00 0.00 31.29 31.69 3pva h VAL 116 CO 0.51 0.41 0.12 0.44 -1.23 0.00 0.00 177.57 177.82 3pva h ASP 117 N 0.53 0.75 -0.94 4.19 3.32 -1.98 -0.87 116.42 121.41 3pva h ASP 117 Ca 0.08 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 57.02 3pva h ASP 117 Cb 0.67 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 3pva h ASP 117 CO 0.05 0.74 0.62 0.44 -1.72 0.00 0.00 179.24 179.37 3pva h ASP 118 N 0.77 1.05 0.20 6.45 3.32 -1.71 -0.91 116.42 125.59 3pva h ASP 118 Ca 0.17 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3pva h ASP 118 Cb 0.30 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3pva h ASP 118 CO -0.00 0.74 -0.10 0.58 -1.72 0.00 0.00 179.24 178.74 3pva h VAL 119 N 1.23 0.86 -0.40 -1.35 2.07 -0.94 0.19 116.25 117.91 3pva h VAL 119 Ca 0.36 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.68 3pva h VAL 119 Cb -0.06 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3pva h VAL 119 CO -0.10 0.06 0.05 0.40 0.02 0.00 0.00 177.57 178.00 3pva h ILE 120 N -0.40 0.76 0.24 4.57 2.04 -0.81 -2.48 117.51 121.43 3pva h ILE 120 Ca -0.03 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3pva h ILE 120 Cb 0.31 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3pva h ILE 120 CO 0.04 0.03 -0.21 -0.08 0.00 0.00 0.00 178.15 177.94 3pva h GLU 121 N 0.17 -0.45 -0.78 2.37 4.81 -1.04 -3.04 114.58 116.62 3pva h GLU 121 Ca 0.19 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.59 3pva h GLU 121 Cb 0.25 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 3pva h GLU 121 CO -0.28 -0.30 0.51 0.87 -0.73 0.00 0.00 179.01 179.08 3pva h LYS 122 N -0.47 0.54 0.00 1.92 1.79 -0.59 -2.44 116.57 117.31 3pva h LYS 122 Ca -0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3pva h LYS 122 Cb 0.43 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 3pva h LYS 122 CO -0.03 0.35 0.00 1.28 -1.08 0.00 0.00 179.45 179.98 3pva n LEU 123 N -4.50 0.68 0.16 2.94 4.32 -0.97 -3.27 117.00 116.36 3pva n LEU 123 Ca 0.14 0.63 0.13 0.00 -0.02 0.00 0.00 56.01 56.90 3pva n LEU 123 Cb 0.45 -0.50 0.54 0.00 -1.62 0.00 0.00 43.42 42.29 3pva n LEU 123 CO 0.32 -0.43 0.89 0.71 -1.22 0.00 0.00 177.39 177.65 3pva h THR 124 N 0.00 0.00 -0.52 -5.08 1.35 -1.49 -2.21 112.91 104.96 3pva h THR 124 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3pva h THR 124 Cb 0.47 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 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 -2.43 3.54 -4.36 5.36 3.41 -1.20 -4.85 113.62 113.09 3pva n SER 125 Ca 0.02 -1.97 -0.20 0.00 -0.26 0.00 0.00 58.87 56.45 3pva n SER 125 Cb 0.25 -0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.17 1.82 -0.09 7.33 2.02 -0.83 -1.07 117.35 125.36 3pva s TYR 126 Ca 0.40 -0.51 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 3pva s TYR 126 Cb 0.22 -0.85 0.03 0.00 -0.40 0.00 0.00 41.96 40.95 3pva s TYR 126 CO 0.29 0.40 -0.05 0.99 -1.57 0.00 0.00 175.55 175.62 3pva s THR 127 N -2.67 0.76 0.02 -0.71 2.01 0.07 -4.81 115.64 110.31 3pva s THR 127 Ca 0.22 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 3pva s THR 127 Cb -0.03 -0.83 -0.06 0.00 0.01 0.00 0.00 72.50 71.59 3pva s THR 127 CO 0.08 0.32 1.43 -0.76 -0.69 0.00 0.00 174.62 175.00 3pva s LEU 128 N 1.79 4.33 0.24 4.42 1.02 -1.26 -0.25 118.68 128.96 3pva s LEU 128 Ca 0.05 2.17 0.08 0.00 0.02 0.00 0.00 54.13 56.45 3pva s LEU 128 Cb -0.12 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 3pva s LEU 128 CO -0.07 -0.73 0.04 -0.76 0.02 0.00 0.00 176.35 174.85 3pva s LEU 129 N 2.34 3.35 -0.99 1.79 1.43 -0.54 -2.23 118.68 123.83 3pva s LEU 129 Ca 0.65 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 53.17 3pva s LEU 129 Cb -0.33 -1.91 -0.14 0.00 0.03 0.00 0.00 46.19 43.84 3pva s LEU 129 CO 0.27 0.02 3.04 -3.20 0.23 0.00 0.00 176.35 176.71 3pva n ASN 130 N -0.74 7.04 -4.68 2.29 2.85 -0.46 -4.35 115.26 117.22 3pva n ASN 130 Ca -0.08 -2.49 -0.37 0.00 -0.11 0.00 0.00 54.58 51.53 3pva n ASN 130 Cb 0.58 -1.43 -0.08 0.00 1.24 0.00 0.00 39.78 40.08 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 1.93 4.15 0.95 1.20 2.12 -1.26 -4.89 118.70 122.90 3pva s GLU 131 Ca 0.64 -0.02 -0.16 0.00 0.36 0.00 0.00 54.97 55.80 3pva s GLU 131 Cb 0.21 -3.51 0.22 0.00 0.26 0.00 0.00 34.13 31.31 3pva s GLU 131 CO -0.04 0.06 1.29 0.00 -0.54 0.00 0.00 175.26 176.04 3pva n ALA 132 N 4.20 -1.47 -3.06 6.30 0.00 -1.26 -4.24 120.51 120.98 3pva n ALA 132 Ca -0.12 -1.69 -0.10 0.00 0.00 0.00 0.00 53.44 51.53 3pva n ALA 132 Cb 0.52 -0.08 -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 -5.72 0.11 0.00 0.00 4.22 -1.25 -4.85 114.94 107.45 3pva s ASN 133 Ca 0.73 -0.33 0.14 0.00 -2.14 0.00 0.00 52.86 51.26 3pva s ASN 133 Cb -0.02 0.16 0.66 0.00 1.28 0.00 0.00 41.25 43.33 3pva s ASN 133 CO 0.51 -0.34 1.39 2.30 -2.04 0.00 0.00 177.10 178.92 3pva n ILE 134 N 1.50 0.77 -0.07 0.54 -5.35 -1.26 0.06 119.36 115.55 3pva n ILE 134 Ca -0.23 0.19 -0.15 0.00 -0.27 0.00 0.00 62.75 62.29 3pva n ILE 134 Cb 0.55 -0.96 -0.13 0.00 -1.74 0.00 0.00 39.64 37.36 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 1.68 0.00 7.28 1.08 -1.95 -3.39 117.51 122.21 3pva h ILE 135 Ca 0.00 -2.33 -0.23 0.00 -0.39 0.00 0.00 64.86 61.92 3pva h ILE 135 Cb 0.16 3.24 -0.04 0.00 -3.07 0.00 0.00 36.82 37.11 3pva h ILE 135 CO 0.00 0.57 -2.05 0.18 -0.69 0.00 0.00 178.15 176.16 3pva n LEU 136 N -4.58 0.22 0.00 1.44 4.32 -1.21 -4.99 117.00 112.20 3pva n LEU 136 Ca -0.13 0.10 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 3pva n LEU 136 Cb 0.51 0.26 0.00 0.00 -1.62 0.00 0.00 43.42 42.58 3pva n LEU 136 CO 0.32 0.29 0.00 0.61 -1.22 0.00 0.00 177.39 177.39 3pva n GLY 137 N 1.54 0.92 3.48 -0.72 0.00 0.11 -5.00 105.19 105.51 3pva n GLY 137 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.76 0.35 -0.46 1.61 -0.12 -1.24 -4.66 117.98 110.70 3pva s PHE 138 Ca 0.00 -0.70 -0.24 0.00 -0.05 0.00 0.00 56.93 55.93 3pva s PHE 138 Cb 0.00 0.10 0.03 0.00 -0.63 0.00 0.00 43.02 42.51 3pva s PHE 138 CO 0.00 -0.88 0.88 0.00 -0.05 0.00 0.00 175.22 175.17 3pva s ALA 139 N -3.99 3.25 0.38 1.99 0.00 -1.26 -3.76 121.76 118.37 3pva s ALA 139 Ca 0.20 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 3pva s ALA 139 Cb 0.01 -3.59 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 3pva s ALA 139 CO 0.05 -2.03 1.26 -0.35 0.00 0.00 0.00 175.76 174.69 3pva n PRO 140 N 7.02 2.00 -2.21 0.00 -0.04 -1.26 -4.94 135.00 135.57 3pva n PRO 140 Ca 0.04 0.70 -0.43 0.00 -0.04 0.00 0.00 63.50 63.78 3pva n PRO 140 Cb 0.48 -2.33 -0.02 0.00 -0.04 0.00 0.00 33.50 31.59 3pva n PRO 140 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3pva s PRO 141 N -2.02 4.00 0.06 0.54 0.04 -1.26 -4.94 135.00 131.41 3pva s PRO 141 Ca 0.58 1.72 0.01 0.00 0.04 0.00 0.00 61.00 63.35 3pva s PRO 141 Cb -0.54 -3.94 -0.03 0.00 0.04 0.00 0.00 34.50 30.03 3pva s PRO 141 CO 0.60 -1.03 -0.06 -0.51 0.04 0.00 0.00 177.00 176.04 3pva s LEU 142 N 4.42 2.37 0.21 -3.56 1.02 -1.26 -0.77 118.68 121.11 3pva s LEU 142 Ca 0.66 -0.76 0.06 0.00 0.02 0.00 0.00 54.13 54.10 3pva s LEU 142 Cb -0.25 -0.04 -0.05 0.00 0.02 0.00 0.00 46.19 45.88 3pva s LEU 142 CO 0.25 -0.37 -0.10 -1.38 0.02 0.00 0.00 176.35 174.78 3pva s HIS 143 N -2.53 1.65 0.12 0.29 -3.43 0.10 -4.47 115.29 107.02 3pva s HIS 143 Ca -0.01 -0.69 0.08 0.00 -0.80 0.00 0.00 55.06 53.64 3pva s HIS 143 Cb -0.02 -0.85 -0.04 0.00 -1.43 0.00 0.00 32.58 30.24 3pva s HIS 143 CO -0.03 0.23 -0.19 0.71 -2.00 0.00 0.00 174.74 173.45 3pva s TYR 144 N -3.12 1.74 -0.01 0.38 1.51 -0.33 -1.61 117.35 115.91 3pva s TYR 144 Ca 0.24 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 3pva s TYR 144 Cb 0.02 -0.92 0.01 0.00 -0.11 0.00 0.00 41.96 40.96 3pva s TYR 144 CO 0.07 0.24 -0.03 -0.08 -1.11 0.00 0.00 175.55 174.64 3pva s THR 145 N -1.56 0.26 0.00 -0.71 -1.32 -1.11 -1.06 115.64 110.16 3pva s THR 145 Ca 0.09 -0.09 0.02 0.00 -1.21 0.00 0.00 61.69 60.51 3pva s THR 145 Cb -0.08 -0.26 -0.01 0.00 -1.51 0.00 0.00 72.50 70.64 3pva s THR 145 CO 0.05 0.10 -0.06 -0.36 -2.21 0.00 0.00 174.62 172.14 3pva s PHE 146 N 0.26 0.53 -0.07 9.09 0.08 -1.05 -1.67 117.98 125.14 3pva s PHE 146 Ca -0.02 -0.15 -0.00 0.00 0.12 0.00 0.00 56.93 56.87 3pva s PHE 146 Cb -0.05 -0.34 0.03 0.00 -0.57 0.00 0.00 43.02 42.09 3pva s PHE 146 CO -0.01 -0.02 -0.03 0.99 -0.10 0.00 0.00 175.22 176.06 3pva s THR 147 N -0.30 0.54 0.94 0.64 2.01 0.19 -1.04 115.64 118.62 3pva s THR 147 Ca 0.01 -0.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.87 3pva s THR 147 Cb -0.03 -0.64 0.16 0.00 0.01 0.00 0.00 72.50 72.00 3pva s THR 147 CO -0.00 0.27 1.09 -1.81 -0.69 0.00 0.00 174.62 173.48 3pva s ASP 148 N 1.62 2.92 0.37 3.53 1.01 -0.71 0.36 116.67 125.77 3pva s ASP 148 Ca 0.00 1.72 0.08 0.00 0.71 0.00 0.00 52.55 55.07 3pva s ASP 148 Cb -0.13 -2.35 0.72 0.00 1.01 0.00 0.00 42.92 42.17 3pva s ASP 148 CO -0.04 -3.02 1.89 0.00 0.21 0.00 0.00 175.17 174.20 3pva h ALA 149 N -1.81 1.44 0.00 5.23 0.00 -1.81 0.32 119.26 122.62 3pva h ALA 149 Ca -0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 3pva h ALA 149 Cb 1.28 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3pva h ALA 149 CO 0.50 0.39 -0.09 0.66 0.00 0.00 0.00 179.25 180.71 3pva h SER 150 N 0.28 0.00 0.00 0.00 4.64 -1.93 -3.41 113.55 113.13 3pva h SER 150 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3pva h SER 150 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3pva h SER 150 CO 0.02 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 3pva n GLY 151 N -0.63 0.77 3.71 -0.77 0.00 0.10 -5.03 105.19 103.34 3pva n GLY 151 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.91 4.55 0.03 1.61 2.12 -1.26 -4.84 118.70 120.00 3pva s GLU 152 Ca 0.00 1.32 0.07 0.00 0.36 0.00 0.00 54.97 56.73 3pva s GLU 152 Cb 0.00 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 3pva s GLU 152 CO 0.00 -0.00 -0.21 -1.12 -0.54 0.00 0.00 175.26 173.39 3pva s SER 153 N 0.87 3.59 0.28 -1.70 0.01 -1.26 -1.73 113.70 113.76 3pva s SER 153 Ca 0.49 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.32 3pva s SER 153 Cb -0.21 -0.53 -0.06 0.00 0.21 0.00 0.00 66.02 65.44 3pva s SER 153 CO 0.26 0.27 0.08 0.27 0.41 0.00 0.00 173.24 174.54 3pva s ILE 154 N -0.85 0.78 -0.05 1.44 -4.36 -0.21 -2.48 121.20 115.48 3pva s ILE 154 Ca 0.13 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 3pva s ILE 154 Cb -0.10 -2.69 0.03 0.00 1.25 0.00 0.00 42.46 40.94 3pva s ILE 154 CO 0.03 -0.00 -0.01 -0.69 0.24 0.00 0.00 174.94 174.51 3pva s VAL 155 N -3.60 0.33 -0.18 8.37 1.01 -0.88 -2.53 120.40 122.93 3pva s VAL 155 Ca 0.37 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 3pva s VAL 155 Cb 0.08 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 36.04 3pva s VAL 155 CO 0.14 0.20 -0.15 -0.63 0.00 0.00 0.00 175.10 174.67 3pva s ILE 156 N 1.29 2.59 -0.17 2.22 1.01 -0.22 -0.72 121.20 127.20 3pva s ILE 156 Ca -0.06 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.83 3pva s ILE 156 Cb -0.13 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.24 3pva s ILE 156 CO -0.02 0.50 -0.18 -1.61 0.00 0.00 0.00 174.94 173.64 3pva s GLU 157 N 1.16 2.69 -1.18 2.79 2.02 0.47 -1.18 118.70 125.47 3pva s GLU 157 Ca 0.01 -0.71 -0.20 0.00 0.02 0.00 0.00 54.97 54.09 3pva s GLU 157 Cb -0.14 -2.37 0.07 0.00 0.10 0.00 0.00 34.13 31.79 3pva s GLU 157 CO -0.06 -0.22 1.60 -1.25 0.02 0.00 0.00 175.26 175.35 3pva s PRO 158 N 1.36 3.84 0.75 0.39 0.04 -1.26 0.42 135.00 140.54 3pva s PRO 158 Ca 0.05 -1.71 -0.08 0.00 0.04 0.00 0.00 61.00 59.29 3pva s PRO 158 Cb -0.13 -5.43 0.08 0.00 0.04 0.00 0.00 34.50 29.06 3pva s PRO 158 CO -0.12 -2.20 1.08 -0.51 0.04 0.00 0.00 177.00 175.29 3pva s ASP 159 N 4.40 4.59 0.30 6.66 1.01 -0.84 0.05 116.67 132.84 3pva s ASP 159 Ca 0.50 0.48 0.00 0.00 0.71 0.00 0.00 52.55 54.24 3pva s ASP 159 Cb 0.02 -1.04 0.51 0.00 1.01 0.00 0.00 42.92 43.42 3pva s ASP 159 CO 0.01 -1.77 1.91 0.50 0.21 0.00 0.00 175.17 176.03 3pva h LYS 160 N -0.79 1.03 -0.33 8.23 3.64 -1.89 -0.08 116.57 126.38 3pva h LYS 160 Ca -0.44 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3pva h LYS 160 Cb 1.31 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3pva h LYS 160 CO 0.59 0.68 0.00 0.25 -2.27 0.00 0.00 179.45 178.70 3pva n THR 161 N -4.48 0.44 0.00 1.00 -2.24 -1.26 -5.02 114.28 102.71 3pva n THR 161 Ca 0.14 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3pva n THR 161 Cb 0.18 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.88 1.61 3.68 3.38 0.00 -0.04 -4.98 105.19 109.71 3pva n GLY 162 Ca 0.10 -2.15 -0.46 0.00 0.00 0.00 0.00 46.02 43.51 3pva n GLY 162 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3pva n ILE 163 N -0.16 0.29 -4.27 -0.61 2.08 -1.26 -1.99 119.36 113.44 3pva n ILE 163 Ca 0.00 -0.05 -0.34 0.00 0.56 0.00 0.00 62.75 62.92 3pva n ILE 163 Cb 0.00 -1.81 -0.11 0.00 -0.75 0.00 0.00 39.64 36.97 3pva n ILE 163 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3pva s THR 164 N 2.44 4.21 -0.12 1.39 2.01 0.17 -4.91 115.64 120.83 3pva s THR 164 Ca 0.84 -0.24 -0.02 0.00 0.31 0.00 0.00 61.69 62.58 3pva s THR 164 Cb -0.63 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 3pva s THR 164 CO 0.42 0.49 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.14 3pva s ILE 165 N 0.31 3.67 -0.22 1.82 -1.09 -1.26 -0.39 121.20 124.03 3pva s ILE 165 Ca -0.01 -0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 57.94 3pva s ILE 165 Cb -0.13 -2.57 0.01 0.00 -1.58 0.00 0.00 42.46 38.19 3pva s ILE 165 CO 0.02 0.53 -0.09 -1.00 -1.23 0.00 0.00 174.94 173.18 3pva s HIS 166 N 0.01 2.97 0.08 3.97 3.76 0.10 -4.99 115.29 121.19 3pva s HIS 166 Ca -0.01 -1.37 -0.04 0.00 -0.15 0.00 0.00 55.06 53.49 3pva s HIS 166 Cb -0.14 -2.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.46 3pva s HIS 166 CO 0.03 -0.69 0.31 1.03 -0.85 0.00 0.00 174.74 174.57 3pva s ARG 167 N 1.37 3.57 -0.16 1.40 0.52 -1.26 -2.06 118.95 122.32 3pva s ARG 167 Ca 0.03 -0.16 -0.11 0.00 -0.52 0.00 0.00 55.73 54.96 3pva s ARG 167 Cb -0.15 -2.97 0.02 0.00 0.52 0.00 0.00 34.95 32.37 3pva s ARG 167 CO -0.06 0.56 0.22 0.36 0.02 0.00 0.00 175.30 176.39 3pva n LYS 168 N 0.46 -0.61 -0.64 3.54 2.85 -1.03 -4.96 118.16 117.76 3pva n LYS 168 Ca -0.06 0.44 -0.01 0.00 -1.05 0.00 0.00 58.31 57.62 3pva n LYS 168 Cb 0.52 -0.66 0.01 0.00 -0.65 0.00 0.00 35.03 34.25 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 -0.20 0.00 1.66 0.58 -2.24 -1.15 -4.99 114.28 107.94 3pva n THR 169 Ca -0.04 -0.09 0.15 0.00 -2.27 0.00 0.00 64.05 61.81 3pva n THR 169 Cb 0.23 -1.44 0.83 0.00 -2.10 0.00 0.00 70.33 67.84 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 -1.56 0.00 -2.07 2.28 -5.35 -1.26 -4.79 119.36 106.61 3pva n ILE 170 Ca 0.01 -0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.47 3pva n ILE 170 Cb 0.03 -0.47 -0.00 0.00 -1.74 0.00 0.00 39.64 37.46 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 1.17 0.33 3.09 3.28 0.00 -1.26 -4.90 105.19 106.90 3pva n GLY 171 Ca 0.18 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.15 0.95 -0.29 1.61 1.01 -1.26 -1.06 120.40 119.21 3pva s VAL 172 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 3pva s VAL 172 Cb -0.00 -0.83 0.15 0.00 0.00 0.00 0.00 36.38 35.69 3pva s VAL 172 CO 0.00 0.13 0.95 -0.32 0.00 0.00 0.00 175.10 175.86 3pva s MET 173 N -0.65 0.38 0.00 2.72 1.75 0.97 -4.96 119.30 119.51 3pva s MET 173 Ca 0.03 0.74 0.00 0.00 -1.25 0.00 0.00 55.69 55.20 3pva s MET 173 Cb -0.06 0.21 0.00 0.00 2.84 0.00 0.00 34.83 37.82 3pva s MET 173 CO 0.00 -0.09 0.00 0.25 -0.65 0.00 0.00 175.02 174.53 3pva n THR 174 N 4.15 0.00 -2.35 10.11 -2.24 -1.26 0.41 114.28 123.09 3pva n THR 174 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3pva n THR 174 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.90 -4.72 3.42 4.13 -1.26 -4.74 115.26 112.99 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 0.11 0.00 -1.54 0.00 0.00 39.78 38.35 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 0.52 3.92 0.00 6.41 0.01 -1.26 -4.73 113.70 118.58 3pva s SER 176 Ca 0.00 2.08 0.00 0.00 1.31 0.00 0.00 55.95 59.34 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 -2.43 0.00 -0.81 0.41 0.00 0.00 173.24 170.41 3pva n PRO 177 N -3.51 1.71 -1.47 12.44 -0.04 -1.26 -4.39 135.00 138.48 3pva n PRO 177 Ca 0.11 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.22 3pva n PRO 177 Cb 0.52 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.07 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 -0.62 2.51 0.19 0.55 0.00 -1.26 -4.83 107.32 103.85 3pva s GLY 178 Ca 0.00 1.01 -0.16 0.00 0.00 0.00 0.00 44.72 45.58 3pva s GLY 178 CO 0.00 1.43 1.65 -1.82 0.00 0.00 0.00 173.10 174.36 3pva h TYR 179 N -0.13 -0.28 -0.99 1.90 3.20 -1.99 -0.73 116.97 117.95 3pva h TYR 179 Ca -0.49 0.05 0.09 0.00 3.14 0.00 0.00 58.73 61.52 3pva h TYR 179 Cb 1.31 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 39.71 3pva h TYR 179 CO 0.44 -0.22 0.63 1.49 -1.64 0.00 0.00 178.16 178.87 3pva h GLU 180 N -0.01 1.04 -0.14 1.82 4.81 -1.99 -1.42 114.58 118.69 3pva h GLU 180 Ca 0.24 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3pva h GLU 180 Cb 0.38 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3pva h GLU 180 CO -0.52 0.69 0.06 2.35 -0.73 0.00 0.00 179.01 180.85 3pva h TRP 181 N 1.07 0.11 -0.14 0.92 7.01 -1.49 -1.63 115.95 121.80 3pva h TRP 181 Ca 0.46 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.46 3pva h TRP 181 Cb 0.33 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 3pva h TRP 181 CO -0.00 0.06 0.09 0.45 -2.79 0.00 0.00 178.44 176.25 3pva h HIS 182 N 0.13 0.17 -0.62 2.65 3.86 -1.19 -0.73 115.15 119.42 3pva h HIS 182 Ca 0.06 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.33 3pva h HIS 182 Cb 0.02 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.38 3pva h HIS 182 CO -0.10 0.12 0.32 0.37 0.86 0.00 0.00 177.93 179.51 3pva h GLN 183 N 0.18 0.58 0.26 2.45 4.15 -1.11 -2.03 115.11 119.58 3pva h GLN 183 Ca 0.05 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3pva h GLN 183 Cb -0.01 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.56 3pva h GLN 183 CO -0.01 0.38 -0.13 1.15 -1.93 0.00 0.00 178.83 178.30 3pva h THR 184 N 0.59 0.76 -0.97 2.39 2.02 -1.14 -2.87 112.91 113.70 3pva h THR 184 Ca 0.28 -0.08 0.30 0.00 0.77 0.00 0.00 66.41 67.69 3pva h THR 184 Cb 0.21 0.80 -0.15 0.00 -1.74 0.00 0.00 68.15 67.28 3pva h THR 184 CO -0.20 0.02 0.46 -1.13 0.37 0.00 0.00 175.52 175.03 3pva h ASN 185 N -0.39 0.33 -0.88 4.18 -0.00 -0.53 0.23 115.58 118.53 3pva h ASN 185 Ca -0.04 0.20 0.23 0.00 -0.00 0.00 0.00 56.30 56.69 3pva h ASN 185 Cb 0.30 0.19 -0.15 0.00 -0.00 0.00 0.00 38.32 38.66 3pva h ASN 185 CO 0.06 -0.16 0.15 -0.07 -0.00 0.00 0.00 177.43 177.41 3pva h LEU 186 N 0.27 -0.17 -1.82 0.34 3.38 -1.15 -1.52 115.31 114.65 3pva h LEU 186 Ca 0.68 0.22 0.33 0.00 0.09 0.00 0.00 57.88 59.19 3pva h LEU 186 Cb 1.52 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 42.54 3pva h LEU 186 CO -0.64 -0.21 0.80 0.03 0.09 0.00 0.00 178.44 178.52 3pva h ARG 187 N 0.14 0.10 0.00 1.13 3.08 -0.67 -1.09 114.38 117.07 3pva h ARG 187 Ca 0.54 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.58 3pva h ARG 187 Cb 1.08 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3pva h ARG 187 CO -0.71 0.07 0.00 0.00 -1.07 0.00 0.00 179.97 178.25 3pva h ALA 188 N 1.47 1.00 -0.09 0.04 0.00 -1.45 -3.28 119.26 116.96 3pva h ALA 188 Ca 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.46 3pva h ALA 188 Cb 2.07 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 3pva h ALA 188 CO -0.09 0.00 -0.19 0.66 0.00 0.00 0.00 179.25 179.63 3pva n TYR 189 N -2.64 0.28 0.37 0.00 4.02 -0.41 -4.73 117.16 114.04 3pva n TYR 189 Ca 0.02 -1.26 0.12 0.00 -0.01 0.00 0.00 57.90 56.77 3pva n TYR 189 Cb 0.31 -0.26 0.50 0.00 -0.02 0.00 0.00 39.34 39.87 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 -1.17 0.85 0.56 -0.72 -5.35 -1.21 -2.47 119.36 109.85 3pva n ILE 190 Ca 0.20 0.28 0.13 0.00 -0.27 0.00 0.00 62.75 63.10 3pva n ILE 190 Cb 0.75 -1.22 0.42 0.00 -1.74 0.00 0.00 39.64 37.85 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 -0.14 -1.61 3.57 3.28 0.00 -1.26 -4.70 105.19 104.32 3pva n GLY 191 Ca 0.02 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.16 3.30 0.27 1.61 1.01 -1.03 -4.83 120.40 117.57 3pva s VAL 192 Ca 0.09 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.32 3pva s VAL 192 Cb 0.11 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 3pva s VAL 192 CO 0.55 -0.53 0.11 0.42 0.00 0.00 0.00 175.10 175.65 3pva s THR 193 N 9.00 0.51 0.31 3.92 -4.23 -0.28 -4.93 115.64 119.93 3pva s THR 193 Ca 0.79 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.54 3pva s THR 193 Cb -0.18 -2.61 0.23 0.00 1.34 0.00 0.00 72.50 71.29 3pva s THR 193 CO 0.26 0.00 1.94 -0.65 -0.54 0.00 0.00 174.62 175.63 3pva h PRO 194 N 2.34 0.00 -6.30 3.99 0.11 -1.94 -3.13 132.00 127.07 3pva h PRO 194 Ca -0.37 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.18 3pva h PRO 194 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 3pva h PRO 194 CO 0.59 0.21 -0.04 -0.80 -0.21 0.00 0.00 178.00 177.75 3pva s ASN 195 N -6.30 6.98 0.42 -2.05 -0.87 -1.26 -4.62 114.94 107.24 3pva s ASN 195 Ca -0.02 1.21 -0.25 0.00 -1.57 0.00 0.00 52.86 52.24 3pva s ASN 195 Cb 0.12 -2.34 -0.08 0.00 -0.02 0.00 0.00 41.25 38.93 3pva s ASN 195 CO 0.63 0.19 1.23 -2.16 -2.57 0.00 0.00 177.10 174.42 3pva s PRO 196 N -1.50 3.91 0.52 -0.60 0.04 -1.26 -3.64 135.00 132.47 3pva s PRO 196 Ca 0.33 1.98 -0.22 0.00 0.04 0.00 0.00 61.00 63.14 3pva s PRO 196 Cb -0.18 -2.64 -0.06 0.00 0.04 0.00 0.00 34.50 31.67 3pva s PRO 196 CO 0.19 -0.48 1.26 -1.25 0.04 0.00 0.00 177.00 176.76 3pva s PRO 197 N -2.37 3.34 0.59 0.56 0.04 -1.26 -4.93 135.00 130.97 3pva s PRO 197 Ca 0.59 1.99 -0.19 0.00 0.04 0.00 0.00 61.00 63.44 3pva s PRO 197 Cb -0.34 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 3pva s PRO 197 CO 0.43 -0.96 1.18 -0.65 0.04 0.00 0.00 177.00 177.04 3pva s GLN 198 N -2.90 3.02 0.68 4.56 -0.21 -1.26 -4.91 119.66 118.64 3pva s GLN 198 Ca 0.70 1.74 -0.14 0.00 0.02 0.00 0.00 55.36 57.67 3pva s GLN 198 Cb -0.34 -1.95 0.01 0.00 1.00 0.00 0.00 33.01 31.73 3pva s GLN 198 CO 0.40 -1.14 1.10 -0.51 -2.12 0.00 0.00 175.29 173.02 3pva s ASP 199 N -1.73 5.05 0.33 5.90 1.01 -1.26 -5.02 116.67 120.95 3pva s ASP 199 Ca 0.75 1.94 0.03 0.00 0.71 0.00 0.00 52.55 55.98 3pva s ASP 199 Cb -0.28 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.10 3pva s ASP 199 CO 0.33 -1.67 0.11 2.30 0.21 0.00 0.00 175.17 176.45 3pva n ILE 200 N -2.63 0.00 -4.13 0.77 -5.35 -1.09 -5.03 119.36 101.91 3pva n ILE 200 Ca 0.10 -1.89 -0.14 0.00 -0.27 0.00 0.00 62.75 60.55 3pva n ILE 200 Cb 0.52 0.66 -0.11 0.00 -1.74 0.00 0.00 39.64 38.98 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 -3.25 0.71 -0.37 6.28 -1.94 -1.26 -2.21 119.30 117.26 3pva s MET 201 Ca 0.16 -1.00 0.01 0.00 -1.71 0.00 0.00 55.69 53.14 3pva s MET 201 Cb 0.01 -0.41 0.12 0.00 2.01 0.00 0.00 34.83 36.56 3pva s MET 201 CO 0.11 0.06 0.16 -1.64 -0.01 0.00 0.00 175.02 173.71 3pva s MET 202 N -2.37 1.02 7.99 2.03 -1.94 -0.09 -4.96 119.30 120.98 3pva s MET 202 Ca -0.01 -1.57 0.00 0.00 -1.71 0.00 0.00 55.69 52.41 3pva s MET 202 Cb -0.05 -2.20 0.00 0.00 2.01 0.00 0.00 34.83 34.59 3pva s MET 202 CO -0.00 -1.07 0.00 0.41 -0.01 0.00 0.00 175.02 174.34 3pva n GLY 203 N 4.18 3.80 0.84 -0.03 0.00 -1.26 -0.65 105.19 112.07 3pva n GLY 203 Ca 0.04 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 8.93 2.55 -4.69 1.61 8.00 -1.26 -4.92 116.55 126.77 3pva n ASP 204 Ca 0.00 -1.84 -0.40 0.00 0.71 0.00 0.00 54.79 53.26 3pva n ASP 204 Cb 0.00 -0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 40.94 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 -1.72 4.25 -0.13 0.64 0.20 0.18 -5.04 118.68 117.07 3pva s LEU 205 Ca 0.34 1.15 -0.21 0.00 0.69 0.00 0.00 54.13 56.11 3pva s LEU 205 Cb 0.20 -3.12 -0.03 0.00 -0.43 0.00 0.00 46.19 42.81 3pva s LEU 205 CO 0.30 -0.23 0.60 -1.81 -0.29 0.00 0.00 176.35 174.93 3pva s ASP 206 N 0.97 6.78 -0.16 3.68 1.01 -1.26 -0.91 116.67 126.78 3pva s ASP 206 Ca 0.37 0.94 -0.00 0.00 0.71 0.00 0.00 52.55 54.57 3pva s ASP 206 Cb -0.17 -2.35 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 3pva s ASP 206 CO 0.16 -0.14 -0.14 -0.76 0.21 0.00 0.00 175.17 174.50 3pva s LEU 207 N 1.16 2.52 0.06 1.23 1.43 -0.94 -4.99 118.68 119.16 3pva s LEU 207 Ca 0.31 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3pva s LEU 207 Cb -0.16 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3pva s LEU 207 CO 0.13 0.07 -0.06 0.28 0.23 0.00 0.00 176.35 177.00 3pva s THR 208 N 0.91 0.50 0.89 5.49 -1.32 -1.26 -2.68 115.64 118.16 3pva s THR 208 Ca -0.03 -1.52 -0.12 0.00 -1.21 0.00 0.00 61.69 58.80 3pva s THR 208 Cb -0.15 -1.15 0.09 0.00 -1.51 0.00 0.00 72.50 69.78 3pva s THR 208 CO -0.01 -0.69 0.91 -2.65 -2.21 0.00 0.00 174.62 169.96 3pva n PRO 209 N 0.65 -0.20 0.20 7.08 -0.02 -1.26 -4.89 135.00 136.55 3pva n PRO 209 Ca -0.17 0.01 0.04 0.00 -2.02 0.00 0.00 63.50 61.36 3pva n PRO 209 Cb 0.58 -2.21 0.40 0.00 -0.02 0.00 0.00 33.50 32.26 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 -1.45 0.00 0.00 6.00 0.04 -2.03 -3.47 116.94 116.03 3pva h PHE 210 Ca -0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.33 3pva h PHE 210 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 3pva h PHE 210 CO 0.45 0.34 0.00 0.41 -0.60 0.00 0.00 178.31 178.91 3pva n GLY 211 N -0.38 -0.27 3.69 -1.45 0.00 -1.26 -5.16 105.19 100.36 3pva n GLY 211 Ca -0.02 0.56 -0.27 0.00 0.00 0.00 0.00 46.02 46.30 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 1.96 2.11 0.00 1.61 2.00 -1.26 -4.87 119.66 121.21 3pva s GLN 212 Ca 0.00 -1.99 0.00 0.00 -2.00 0.00 0.00 55.36 51.37 3pva s GLN 212 Cb 0.00 -1.82 0.00 0.00 0.80 0.00 0.00 33.01 31.99 3pva s GLN 212 CO 0.00 -0.11 0.00 0.41 -0.50 0.00 0.00 175.29 175.09 3pva n GLY 213 N -1.13 3.15 0.00 2.59 0.00 -1.26 -4.98 105.19 103.56 3pva n GLY 213 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.98 1.25 0.26 4.61 0.00 -1.26 -2.02 120.51 121.37 3pva n ALA 214 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.55 3pva n ALA 214 Cb 0.00 -1.07 0.71 0.00 0.00 0.00 0.00 19.45 19.09 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 0.70 0.00 1.70 0.00 0.00 -1.70 -2.56 103.07 101.21 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 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3pva n GLY 216 N -0.54 -1.15 3.58 4.60 0.00 -0.86 -1.13 105.19 109.70 3pva n GLY 216 Ca -0.01 -0.10 -0.59 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.35 1.77 0.00 0.99 7.94 -0.97 -1.71 117.00 123.67 3pva n LEU 217 Ca 0.10 0.91 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 3pva n LEU 217 Cb 0.22 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.11 3pva n LEU 217 CO 0.19 -0.64 0.00 0.61 -1.11 0.00 0.00 177.39 176.45 3pva n GLY 218 N 5.23 1.84 3.70 -3.96 0.00 -1.26 -4.61 105.19 106.13 3pva n GLY 218 Ca 0.36 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 0.32 0.99 0.20 -0.69 -4.97 118.68 118.87 3pva s LEU 219 Ca 0.00 2.35 -0.28 0.00 0.69 0.00 0.00 54.13 56.89 3pva s LEU 219 Cb 0.00 -3.57 -0.09 0.00 -0.43 0.00 0.00 46.19 42.09 3pva s LEU 219 CO 0.00 -0.76 1.06 -2.16 -0.29 0.00 0.00 176.35 174.20 3pva s PRO 220 N 1.95 4.50 0.00 0.98 0.04 -1.26 -4.99 135.00 136.22 3pva s PRO 220 Ca 0.68 1.66 0.25 0.00 0.04 0.00 0.00 61.00 63.62 3pva s PRO 220 Cb -0.37 -2.97 0.38 0.00 0.04 0.00 0.00 34.50 31.58 3pva s PRO 220 CO 0.30 0.13 1.37 0.41 0.04 0.00 0.00 177.00 179.25 3pva n GLY 221 N 0.92 0.86 3.87 0.56 0.00 -1.26 -4.89 105.19 105.25 3pva n GLY 221 Ca 0.01 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.95 4.67 -0.26 1.61 1.47 -1.26 -5.00 116.67 115.96 3pva s ASP 222 Ca 0.31 0.95 0.13 0.00 1.18 0.00 0.00 52.55 55.11 3pva s ASP 222 Cb 0.20 -1.56 0.77 0.00 -0.34 0.00 0.00 42.92 42.00 3pva s ASP 222 CO 0.31 -1.81 1.74 0.49 0.68 0.00 0.00 175.17 176.57 3pva n PHE 223 N -3.28 2.10 -1.26 2.11 3.72 -1.26 -4.35 117.46 115.23 3pva n PHE 223 Ca 0.07 -0.91 -0.32 0.00 -0.05 0.00 0.00 57.45 56.25 3pva n PHE 223 Cb 0.59 -0.55 0.10 0.00 -0.94 0.00 0.00 39.48 38.68 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 -2.86 3.00 0.25 4.37 -4.23 -1.26 -4.77 115.64 110.14 3pva s THR 224 Ca 0.54 0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 61.37 3pva s THR 224 Cb 0.42 -2.77 0.23 0.00 1.34 0.00 0.00 72.50 71.72 3pva s THR 224 CO 0.14 -0.39 1.85 -0.65 -0.54 0.00 0.00 174.62 175.03 3pva h PRO 225 N -1.00 0.95 -0.15 3.99 0.11 -1.93 0.09 132.00 134.07 3pva h PRO 225 Ca -0.44 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3pva h PRO 225 Cb 1.25 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3pva h PRO 225 CO 0.50 0.63 -0.14 0.66 -0.21 0.00 0.00 178.00 179.44 3pva h SER 226 N 0.98 0.38 -0.08 -2.05 4.64 -1.92 0.87 113.55 116.37 3pva h SER 226 Ca 0.40 -0.48 0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3pva h SER 226 Cb 0.23 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3pva h SER 226 CO -0.19 0.78 -0.04 0.00 -0.87 0.00 0.00 176.83 176.50 3pva h ALA 227 N 0.61 0.03 -0.75 5.18 0.00 -1.77 -1.63 119.26 120.93 3pva h ALA 227 Ca 0.02 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3pva h ALA 227 Cb 0.67 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 3pva h ALA 227 CO 0.04 -0.51 0.49 0.00 0.00 0.00 0.00 179.25 179.27 3pva h ARG 228 N -0.03 0.80 0.67 0.00 3.08 -0.92 -0.52 114.38 117.46 3pva h ARG 228 Ca 0.05 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3pva h ARG 228 Cb 0.10 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3pva h ARG 228 CO -0.10 0.53 -0.48 0.35 -1.07 0.00 0.00 179.97 179.19 3pva h PHE 229 N 0.83 -1.31 -0.66 3.04 3.04 -0.01 -2.31 116.94 119.56 3pva h PHE 229 Ca 0.32 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.38 3pva h PHE 229 Cb 0.20 0.48 -0.12 0.00 2.56 0.00 0.00 35.95 39.07 3pva h PHE 229 CO -0.00 -0.69 -0.31 -0.07 -2.02 0.00 0.00 178.31 175.21 3pva h LEU 230 N -1.10 -1.11 -0.14 0.59 -0.00 -0.37 0.03 115.31 113.21 3pva h LEU 230 Ca -0.09 0.24 0.01 0.00 -0.00 0.00 0.00 57.88 58.04 3pva h LEU 230 Cb 0.91 0.58 -0.01 0.00 -0.00 0.00 0.00 40.66 42.14 3pva h LEU 230 CO 0.04 -0.29 0.07 0.03 -0.00 0.00 0.00 178.44 178.29 3pva h ARG 231 N -0.12 0.15 -0.36 1.13 3.08 -1.03 0.47 114.38 117.70 3pva h ARG 231 Ca 0.27 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 3pva h ARG 231 Cb 0.55 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3pva h ARG 231 CO -0.73 0.10 0.13 0.28 -1.07 0.00 0.00 179.97 178.69 3pva h VAL 232 N 0.15 1.20 0.85 2.04 2.07 -0.80 -1.75 116.25 120.01 3pva h VAL 232 Ca 0.05 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 3pva h VAL 232 Cb 0.00 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3pva h VAL 232 CO -0.03 0.22 -0.41 0.00 0.02 0.00 0.00 177.57 177.37 3pva h ALA 233 N 0.98 -1.17 -0.91 1.67 0.00 -0.59 0.15 119.26 119.39 3pva h ALA 233 Ca 0.12 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.90 3pva h ALA 233 Cb 0.21 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 3pva h ALA 233 CO -0.01 -1.09 0.59 1.88 0.00 0.00 0.00 179.25 180.62 3pva h TYR 234 N -1.28 0.94 0.00 0.00 0.05 -0.08 0.11 116.97 116.71 3pva h TYR 234 Ca -0.12 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.62 3pva h TYR 234 Cb 0.88 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 3pva h TYR 234 CO 0.01 0.39 -0.35 -1.49 -1.05 0.00 0.00 178.16 175.66 3pva h TRP 235 N 0.83 0.00 -0.29 4.88 -0.00 -1.31 -2.38 115.95 117.69 3pva h TRP 235 Ca 0.44 0.00 -0.15 0.00 -0.00 0.00 0.00 58.89 59.18 3pva h TRP 235 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.69 3pva h TRP 235 CO -0.00 0.33 -0.43 -0.22 -0.00 0.00 0.00 178.44 178.12 3pva h LYS 236 N 0.00 0.74 -0.45 0.49 3.64 0.17 -1.16 116.57 120.00 3pva h LYS 236 Ca -0.01 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 3pva h LYS 236 Cb 1.26 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 3pva h LYS 236 CO 0.04 1.02 0.22 -0.22 -2.27 0.00 0.00 179.45 178.25 3pva h LYS 237 N 0.60 0.64 0.00 1.90 3.64 -0.63 -3.35 116.57 119.38 3pva h LYS 237 Ca 0.04 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3pva h LYS 237 Cb 0.99 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3pva h LYS 237 CO 0.09 0.54 -1.73 0.66 -2.27 0.00 0.00 179.45 176.74 3pva n TYR 238 N -4.66 0.02 -2.52 1.91 4.01 -0.93 -4.95 117.16 110.03 3pva n TYR 238 Ca 0.01 0.01 -0.37 0.00 -0.16 0.00 0.00 57.90 57.39 3pva n TYR 238 Cb 0.11 -0.39 -0.04 0.00 -0.31 0.00 0.00 39.34 38.71 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 -3.39 3.68 0.49 -0.72 -4.23 -0.45 -4.96 115.64 106.06 3pva s THR 239 Ca -0.04 1.29 -0.22 0.00 -1.18 0.00 0.00 61.69 61.55 3pva s THR 239 Cb 0.14 -3.67 -0.09 0.00 1.34 0.00 0.00 72.50 70.22 3pva s THR 239 CO 0.90 0.01 0.86 -0.62 -0.54 0.00 0.00 174.62 175.23 3pva n GLU 240 N -0.06 1.00 -1.91 3.99 1.02 -1.26 -4.93 120.64 118.49 3pva n GLU 240 Ca 0.05 0.37 -0.41 0.00 -0.02 0.00 0.00 57.16 57.15 3pva n GLU 240 Cb 0.49 -1.95 -0.02 0.00 -0.02 0.00 0.00 31.44 29.94 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 -2.16 4.20 0.05 3.49 1.02 -1.26 -4.94 119.74 120.14 3pva s LYS 241 Ca 0.67 2.43 -0.31 0.00 0.02 0.00 0.00 55.97 58.79 3pva s LYS 241 Cb -0.51 -3.05 -0.07 0.00 -0.52 0.00 0.00 37.83 33.69 3pva s LYS 241 CO 0.54 -0.48 1.41 0.00 -0.92 0.00 0.00 175.35 175.90 3pva s ALA 242 N -0.36 3.59 -0.05 5.17 0.00 -1.26 -4.90 121.76 123.95 3pva s ALA 242 Ca 0.58 1.00 0.13 0.00 0.00 0.00 0.00 51.96 53.67 3pva s ALA 242 Cb -0.44 -3.58 0.07 0.00 0.00 0.00 0.00 23.12 19.18 3pva s ALA 242 CO 0.50 -0.80 1.44 0.87 0.00 0.00 0.00 175.76 177.77 3pva h LYS 243 N 7.45 0.00 0.00 0.00 1.57 -1.92 0.31 116.57 123.98 3pva h LYS 243 Ca -0.40 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.14 3pva h LYS 243 Cb 1.19 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.45 3pva h LYS 243 CO 0.89 0.61 -0.10 0.27 -0.57 0.00 0.00 179.45 180.55 3pva n ASN 244 N -3.30 -1.36 -0.31 0.86 0.23 -1.26 -3.46 115.26 106.66 3pva n ASN 244 Ca 0.01 -2.73 -0.05 0.00 -0.53 0.00 0.00 54.58 51.28 3pva n ASN 244 Cb 0.76 2.49 0.08 0.00 -2.08 0.00 0.00 39.78 41.02 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 1.21 -0.29 -3.83 4.81 -1.97 -1.73 114.58 112.78 3pva h GLU 245 Ca -0.26 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 58.74 3pva h GLU 245 Cb 1.11 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 3pva h GLU 245 CO 0.35 0.92 -0.07 1.15 -0.73 0.00 0.00 179.01 180.63 3pva h THR 246 N 1.20 1.28 -0.64 0.32 2.02 -1.99 -0.58 112.91 114.52 3pva h THR 246 Ca 0.29 -1.09 0.09 0.00 0.77 0.00 0.00 66.41 66.48 3pva h THR 246 Cb 0.10 1.40 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 3pva h THR 246 CO -0.04 0.35 0.27 -0.33 0.37 0.00 0.00 175.52 176.13 3pva h GLU 247 N 0.32 0.45 -0.38 6.66 5.08 -1.94 -1.50 114.58 123.27 3pva h GLU 247 Ca 0.07 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 3pva h GLU 247 Cb 0.54 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 3pva h GLU 247 CO 0.03 0.30 -0.08 0.78 -1.00 0.00 0.00 179.01 179.04 3pva h GLY 248 N 0.46 0.30 0.91 -3.84 0.00 -0.82 0.91 103.07 100.99 3pva h GLY 248 Ca 0.32 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.73 3pva h GLY 248 CO -0.30 -0.14 0.09 -2.08 0.00 0.00 0.00 176.54 174.12 3pva h VAL 249 N 0.02 1.21 -0.03 4.60 2.07 -0.53 -0.32 116.25 123.27 3pva h VAL 249 Ca 0.19 -0.70 -0.15 0.00 0.82 0.00 0.00 66.70 66.86 3pva h VAL 249 Cb 0.28 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3pva h VAL 249 CO -0.38 0.24 -0.66 0.71 0.02 0.00 0.00 177.57 177.50 3pva h THR 250 N 0.37 1.44 -0.32 2.57 1.35 -0.73 -2.20 112.91 115.39 3pva h THR 250 Ca 0.10 -2.17 -0.06 0.00 -0.55 0.00 0.00 66.41 63.73 3pva h THR 250 Cb 0.27 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 3pva h THR 250 CO -0.00 0.63 -0.05 0.78 -0.25 0.00 0.00 175.52 176.63 3pva h ASN 251 N 0.09 0.60 -0.84 5.36 -0.26 0.92 -2.35 115.58 119.10 3pva h ASN 251 Ca -0.01 -0.35 0.02 0.00 -0.56 0.00 0.00 56.30 55.41 3pva h ASN 251 Cb 1.18 -0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 38.23 3pva h ASN 251 CO 0.09 0.80 0.55 -0.07 -1.06 0.00 0.00 177.43 177.75 3pva h LEU 252 N 0.39 0.93 -0.10 1.61 3.38 -0.94 -0.98 115.31 119.60 3pva h LEU 252 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3pva h LEU 252 Cb 0.53 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3pva h LEU 252 CO 0.03 0.66 0.00 0.49 0.09 0.00 0.00 178.44 179.70 3pva n PHE 253 N -4.43 0.53 0.00 1.13 3.72 -0.84 -2.25 117.46 115.34 3pva n PHE 253 Ca 0.10 0.17 -0.21 0.00 -0.05 0.00 0.00 57.45 57.46 3pva n PHE 253 Cb 0.07 -0.77 -0.14 0.00 -0.94 0.00 0.00 39.48 37.70 3pva n PHE 253 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3pva h HIS 254 N 0.00 0.42 -0.26 1.38 3.86 -0.70 -3.02 115.15 116.82 3pva h HIS 254 Ca 0.00 -0.30 -0.00 0.00 -1.16 0.00 0.00 60.37 58.90 3pva h HIS 254 Cb 0.57 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 3pva h HIS 254 CO 0.00 1.51 0.16 0.82 0.86 0.00 0.00 177.93 181.28 3pva h ILE 255 N -0.37 1.09 0.00 2.45 2.04 -1.22 -2.21 117.51 119.30 3pva h ILE 255 Ca -0.28 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3pva h ILE 255 Cb 1.70 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3pva h ILE 255 CO 0.05 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.47 3pva n LEU 256 N -4.88 0.65 0.12 1.44 4.77 -0.95 -2.35 117.00 115.80 3pva n LEU 256 Ca -0.02 0.71 0.13 0.00 -0.03 0.00 0.00 56.01 56.79 3pva n LEU 256 Cb 0.05 -0.68 0.45 0.00 -2.33 0.00 0.00 43.42 40.91 3pva n LEU 256 CO 0.34 -0.72 0.87 -1.54 -1.33 0.00 0.00 177.39 175.02 3pva n SER 257 N -2.27 0.75 0.15 -1.43 3.41 -0.83 -1.38 113.62 112.01 3pva n SER 257 Ca 0.01 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 3pva n SER 257 Cb 0.16 -0.80 0.31 0.00 -0.26 0.00 0.00 64.21 63.61 3pva n SER 257 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3pva h SER 258 N 0.00 0.00 0.00 4.04 4.64 -1.56 -3.21 113.55 117.47 3pva h SER 258 Ca 0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3pva h SER 258 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 3pva h SER 258 CO 0.00 0.00 -0.41 1.33 -0.87 0.00 0.00 176.83 176.88 3pva n VAL 259 N -2.58 1.97 -3.00 0.95 0.24 -0.48 -5.02 118.33 110.42 3pva n VAL 259 Ca 0.05 -2.83 -0.43 0.00 -2.04 0.00 0.00 64.34 59.08 3pva n VAL 259 Cb 0.47 -0.16 -0.06 0.00 -1.47 0.00 0.00 33.84 32.63 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 -3.04 6.33 -0.39 -1.34 2.47 -1.04 -4.93 114.94 113.00 3pva s ASN 260 Ca 0.36 -0.39 -0.25 0.00 0.42 0.00 0.00 52.86 52.99 3pva s ASN 260 Cb 0.34 -2.36 0.02 0.00 -1.45 0.00 0.00 41.25 37.80 3pva s ASN 260 CO -0.05 -0.97 0.91 -0.63 -3.72 0.00 0.00 177.10 172.64 3pva s ILE 261 N 3.23 4.57 0.31 -5.21 1.01 -1.26 -4.95 121.20 118.90 3pva s ILE 261 Ca 0.25 1.04 -0.29 0.00 0.00 0.00 0.00 60.65 61.65 3pva s ILE 261 Cb -0.14 -4.34 -0.10 0.00 0.01 0.00 0.00 42.46 37.89 3pva s ILE 261 CO 0.19 -0.60 1.21 -2.84 0.00 0.00 0.00 174.94 172.89 3pva s PRO 262 N 3.50 4.47 0.13 2.79 0.02 -1.26 -2.23 135.00 142.42 3pva s PRO 262 Ca 0.37 2.01 -0.35 0.00 0.02 0.00 0.00 61.00 63.05 3pva s PRO 262 Cb -0.12 -3.10 -0.15 0.00 0.02 0.00 0.00 34.50 31.15 3pva s PRO 262 CO 0.20 -0.01 1.44 1.63 -0.33 0.00 0.00 177.00 179.93 3pva n LYS 263 N 0.93 1.63 0.00 5.54 5.02 -1.26 -2.12 118.16 127.90 3pva n LYS 263 Ca -0.00 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 3pva n LYS 263 Cb 0.43 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 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 2.88 3.26 0.20 0.72 0.00 -1.26 -4.91 105.19 106.07 3pva n GLY 264 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 0.18 -3.27 1.61 -1.51 -1.77 -3.43 116.25 108.06 3pva h VAL 265 Ca 0.00 -1.26 -0.55 0.00 -1.23 0.00 0.00 66.70 63.66 3pva h VAL 265 Cb 0.00 2.07 -0.35 0.00 -2.13 0.00 0.00 31.29 30.88 3pva h VAL 265 CO 0.00 0.10 -0.82 -0.69 -1.23 0.00 0.00 177.57 174.93 3pva s VAL 266 N -3.16 1.29 0.01 7.19 1.01 -1.26 -5.07 120.40 120.40 3pva s VAL 266 Ca 0.06 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.61 3pva s VAL 266 Cb 0.06 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3pva s VAL 266 CO 0.69 0.40 -0.24 -0.76 0.00 0.00 0.00 175.10 175.19 3pva s LEU 267 N 1.12 2.10 0.00 3.92 1.43 -1.26 -0.74 118.68 125.25 3pva s LEU 267 Ca -0.05 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 3pva s LEU 267 Cb -0.14 -1.20 0.01 0.00 0.03 0.00 0.00 46.19 44.89 3pva s LEU 267 CO -0.03 0.26 0.04 0.35 0.23 0.00 0.00 176.35 177.21 3pva n THR 268 N 2.20 0.00 0.09 5.49 -2.24 0.38 -4.85 114.28 115.34 3pva n THR 268 Ca -0.16 -0.03 -0.06 0.00 -2.27 0.00 0.00 64.05 61.53 3pva n THR 268 Cb 0.52 -1.65 0.09 0.00 -2.10 0.00 0.00 70.33 67.18 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 -0.39 0.25 0.58 3.42 2.35 -2.01 -2.32 115.58 117.46 3pva h ASN 269 Ca -0.01 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3pva h ASN 269 Cb 0.04 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3pva h ASN 269 CO 0.01 0.85 0.00 -0.08 -1.65 0.00 0.00 177.43 176.56 3pva h GLU 270 N 0.15 0.00 0.00 0.81 4.57 -2.05 -3.46 114.58 114.59 3pva h GLU 270 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3pva h GLU 270 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 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 -0.40 0.70 3.76 1.92 0.00 -0.87 -5.04 105.19 105.26 3pva n GLY 271 Ca -0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.44 4.76 -0.12 1.61 3.01 -1.26 -4.70 119.74 122.60 3pva s LYS 272 Ca 0.00 1.43 -0.26 0.00 -1.01 0.00 0.00 55.97 56.13 3pva s LYS 272 Cb 0.00 -3.11 -0.02 0.00 -1.01 0.00 0.00 37.83 33.69 3pva s LYS 272 CO 0.00 0.44 0.84 -0.08 0.51 0.00 0.00 175.35 177.05 3pva s THR 273 N -1.33 4.90 -0.50 2.17 -1.32 -1.26 -0.47 115.64 117.83 3pva s THR 273 Ca 0.44 1.68 -0.19 0.00 -1.21 0.00 0.00 61.69 62.41 3pva s THR 273 Cb -0.23 -4.15 0.06 0.00 -1.51 0.00 0.00 72.50 66.66 3pva s THR 273 CO 0.29 0.08 0.61 -0.62 -2.21 0.00 0.00 174.62 172.78 3pva s ASP 274 N 1.06 6.22 0.18 8.08 2.15 0.08 -4.10 116.67 130.35 3pva s ASP 274 Ca 0.40 -0.91 0.03 0.00 0.43 0.00 0.00 52.55 52.51 3pva s ASP 274 Cb -0.17 -2.28 -0.05 0.00 -0.30 0.00 0.00 42.92 40.11 3pva s ASP 274 CO 0.16 -0.87 -0.04 -0.72 -0.17 0.00 0.00 175.17 173.53 3pva s TYR 275 N 2.58 1.33 -0.76 -5.34 1.13 -1.14 -4.37 117.35 110.77 3pva s TYR 275 Ca 0.15 -0.90 -0.26 0.00 -1.41 0.00 0.00 57.07 54.65 3pva s TYR 275 Cb -0.19 -0.74 0.00 0.00 -1.10 0.00 0.00 41.96 39.93 3pva s TYR 275 CO 0.12 -0.06 1.62 0.99 -2.51 0.00 0.00 175.55 175.72 3pva s THR 276 N -3.47 3.58 0.08 -3.49 2.01 -0.95 -2.43 115.64 110.98 3pva s THR 276 Ca 0.22 0.03 -0.18 0.00 0.31 0.00 0.00 61.69 62.07 3pva s THR 276 Cb 0.05 -4.44 -0.09 0.00 0.01 0.00 0.00 72.50 68.03 3pva s THR 276 CO 0.04 -1.38 1.49 0.40 -0.69 0.00 0.00 174.62 174.47 3pva h ILE 277 N 6.66 1.27 -3.86 1.82 2.04 -1.47 -3.37 117.51 120.61 3pva h ILE 277 Ca -0.14 -1.00 -0.14 0.00 1.00 0.00 0.00 64.86 64.58 3pva h ILE 277 Cb 1.08 1.44 -0.09 0.00 -0.74 0.00 0.00 36.82 38.51 3pva h ILE 277 CO 1.27 0.31 -0.17 -0.72 0.00 0.00 0.00 178.15 178.84 3pva s TYR 278 N -4.84 0.64 -0.06 1.37 -0.85 -1.24 -1.37 117.35 111.00 3pva s TYR 278 Ca -0.14 -0.97 -0.02 0.00 -0.52 0.00 0.00 57.07 55.43 3pva s TYR 278 Cb 0.07 0.06 0.04 0.00 0.38 0.00 0.00 41.96 42.51 3pva s TYR 278 CO 0.75 -1.03 0.11 0.99 -1.52 0.00 0.00 175.55 174.86 3pva s THR 279 N -3.66 -0.10 0.09 -3.49 2.01 0.48 -1.64 115.64 109.33 3pva s THR 279 Ca 0.26 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.54 3pva s THR 279 Cb -0.00 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 3pva s THR 279 CO 0.13 0.10 -0.08 -0.94 -0.69 0.00 0.00 174.62 173.14 3pva s SER 280 N 1.47 1.29 0.03 3.53 1.04 -0.15 -0.90 113.70 120.02 3pva s SER 280 Ca -0.05 -0.87 0.02 0.00 0.48 0.00 0.00 55.95 55.53 3pva s SER 280 Cb -0.12 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 3pva s SER 280 CO -0.05 -0.34 -0.07 0.00 0.98 0.00 0.00 173.24 173.76 3pva s ALA 281 N -2.83 0.51 0.02 5.32 0.00 -0.53 -1.36 121.76 122.89 3pva s ALA 281 Ca 0.07 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3pva s ALA 281 Cb -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3pva s ALA 281 CO -0.02 -0.02 -0.07 -1.64 0.00 0.00 0.00 175.76 174.01 3pva s MET 282 N -1.40 0.50 -0.14 0.00 -1.94 0.71 -0.44 119.30 116.59 3pva s MET 282 Ca -0.09 -0.49 0.02 0.00 -1.71 0.00 0.00 55.69 53.42 3pva s MET 282 Cb -0.09 -0.38 0.01 0.00 2.01 0.00 0.00 34.83 36.38 3pva s MET 282 CO 0.00 0.09 -0.22 0.00 -0.01 0.00 0.00 175.02 174.89 3pva h ALA 284 N 7.33 0.58 -0.04 0.00 0.00 -0.99 -1.04 119.26 125.10 3pva h ALA 284 Ca -0.33 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.18 3pva h ALA 284 Cb 1.19 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3pva h ALA 284 CO 0.56 0.26 -0.87 1.96 0.00 0.00 0.00 179.25 181.16 3pva h GLN 285 N 0.58 0.46 0.00 0.00 1.08 -1.88 -3.30 115.11 112.06 3pva h GLN 285 Ca 0.14 -0.44 -0.12 0.00 -1.45 0.00 0.00 58.65 56.78 3pva h GLN 285 Cb 0.30 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 3pva h GLN 285 CO -0.00 1.09 -1.17 0.66 -0.95 0.00 0.00 178.83 178.46 3pva h SER 286 N 0.28 0.00 -2.08 1.46 4.64 -1.93 -3.48 113.55 112.44 3pva h SER 286 Ca -0.06 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.03 3pva h SER 286 Cb 1.48 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.58 3pva h SER 286 CO 0.15 0.43 -0.31 0.29 -0.87 0.00 0.00 176.83 176.53 3pva n LYS 287 N -2.90 -1.70 -3.61 4.77 4.01 -0.40 -4.76 118.16 113.57 3pva n LYS 287 Ca -0.06 0.52 -0.32 0.00 -0.51 0.00 0.00 58.31 57.95 3pva n LYS 287 Cb 0.76 -4.59 -0.05 0.00 -0.51 0.00 0.00 35.03 30.64 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 -2.65 6.54 -0.13 4.39 0.02 -1.23 -2.47 114.94 119.41 3pva s ASN 288 Ca 0.07 0.68 0.01 0.00 -1.02 0.00 0.00 52.86 52.61 3pva s ASN 288 Cb -0.03 -2.13 0.02 0.00 0.02 0.00 0.00 41.25 39.12 3pva s ASN 288 CO 0.09 0.05 -0.15 -0.47 0.02 0.00 0.00 177.10 176.64 3pva s TYR 289 N -1.64 2.15 0.14 2.20 5.04 0.24 -2.63 117.35 122.84 3pva s TYR 289 Ca 0.41 -1.12 0.10 0.00 -2.44 0.00 0.00 57.07 54.01 3pva s TYR 289 Cb -0.12 -1.55 -0.04 0.00 0.35 0.00 0.00 41.96 40.59 3pva s TYR 289 CO 0.23 -0.59 -0.19 0.71 -1.34 0.00 0.00 175.55 174.36 3pva s TYR 290 N 1.23 2.48 -0.04 4.97 1.51 0.42 -1.04 117.35 126.87 3pva s TYR 290 Ca -0.01 -0.29 -0.29 0.00 -1.01 0.00 0.00 57.07 55.47 3pva s TYR 290 Cb -0.14 -1.30 0.09 0.00 -0.11 0.00 0.00 41.96 40.51 3pva s TYR 290 CO -0.06 0.41 0.78 -0.59 -1.11 0.00 0.00 175.55 174.97 3pva s PHE 291 N -1.26 -0.52 0.04 2.71 -0.71 -0.69 -1.46 117.98 116.10 3pva s PHE 291 Ca 0.18 0.72 0.01 0.00 -1.04 0.00 0.00 56.93 56.80 3pva s PHE 291 Cb -0.10 0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 42.15 3pva s PHE 291 CO 0.10 -0.57 -0.05 -1.59 -1.34 0.00 0.00 175.22 171.77 3pva s LYS 292 N -1.89 0.45 0.37 1.99 -2.85 -0.07 -0.82 119.74 116.91 3pva s LYS 292 Ca -0.04 -0.79 0.05 0.00 -1.00 0.00 0.00 55.97 54.19 3pva s LYS 292 Cb -0.00 -0.01 -0.07 0.00 -2.06 0.00 0.00 37.83 35.69 3pva s LYS 292 CO 0.01 -0.03 0.04 -0.48 0.10 0.00 0.00 175.35 174.99 3pva s LEU 293 N -1.82 2.44 0.16 2.77 0.05 -1.14 -0.39 118.68 120.76 3pva s LEU 293 Ca -0.09 -1.39 -0.30 0.00 0.05 0.00 0.00 54.13 52.39 3pva s LEU 293 Cb -0.06 -0.58 -0.05 0.00 -2.05 0.00 0.00 46.19 43.44 3pva s LEU 293 CO -0.02 -0.57 1.54 0.22 -0.55 0.00 0.00 176.35 176.98 3pva h TYR 294 N 1.95 -1.77 -0.10 3.48 3.20 -1.39 -2.00 116.97 120.34 3pva h TYR 294 Ca -0.42 0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.57 3pva h TYR 294 Cb 1.25 0.88 0.00 0.00 1.54 0.00 0.00 36.73 40.40 3pva h TYR 294 CO 0.70 -0.40 0.00 -0.25 -1.64 0.00 0.00 178.16 176.56 3pva n ASP 295 N -5.30 0.83 -3.49 -2.11 8.00 -1.26 -4.74 116.55 108.47 3pva n ASP 295 Ca 0.01 -1.66 -0.16 0.00 0.71 0.00 0.00 54.79 53.70 3pva n ASP 295 Cb 0.29 -0.06 -0.12 0.00 -0.02 0.00 0.00 41.12 41.21 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 -1.45 1.00 0.00 -2.24 3.04 -0.75 -2.24 114.94 112.30 3pva s ASN 296 Ca 0.26 -0.01 0.29 0.00 0.04 0.00 0.00 52.86 53.44 3pva s ASN 296 Cb 0.13 0.56 1.33 0.00 -1.54 0.00 0.00 41.25 41.73 3pva s ASN 296 CO 0.20 -0.31 1.92 -1.54 -3.04 0.00 0.00 177.10 174.34 3pva n SER 297 N 5.33 0.34 -4.67 -4.21 3.41 -1.26 -2.88 113.62 109.68 3pva n SER 297 Ca -0.05 -0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 57.65 3pva n SER 297 Cb 0.50 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 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 -2.48 4.24 0.34 4.33 3.52 -1.26 -4.95 118.95 122.69 3pva s ARG 298 Ca 0.29 1.92 -0.27 0.00 -0.13 0.00 0.00 55.73 57.54 3pva s ARG 298 Cb 0.20 -3.75 -0.09 0.00 -1.56 0.00 0.00 34.95 29.75 3pva s ARG 298 CO 0.47 -0.69 1.15 0.42 -0.81 0.00 0.00 175.30 175.84 3pva s ILE 299 N 3.22 3.26 0.04 4.11 1.01 -1.26 -4.62 121.20 126.95 3pva s ILE 299 Ca 0.63 1.16 0.09 0.00 0.00 0.00 0.00 60.65 62.53 3pva s ILE 299 Cb -0.28 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 3pva s ILE 299 CO 0.23 0.20 -0.25 -0.44 0.00 0.00 0.00 174.94 174.68 3pva s SER 300 N -0.97 3.02 -0.03 3.58 0.01 -0.00 -4.94 113.70 114.37 3pva s SER 300 Ca 0.51 -0.56 0.06 0.00 1.31 0.00 0.00 55.95 57.27 3pva s SER 300 Cb -0.32 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.62 3pva s SER 300 CO 0.41 0.25 -0.20 0.00 0.41 0.00 0.00 173.24 174.11 3pva s ALA 301 N -0.77 1.73 -0.08 1.44 0.00 -1.26 -1.70 121.76 121.12 3pva s ALA 301 Ca 0.11 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.24 3pva s ALA 301 Cb -0.10 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.55 3pva s ALA 301 CO 0.02 0.39 -0.18 0.08 0.00 0.00 0.00 175.76 176.06 3pva s VAL 302 N -0.32 1.62 -0.26 0.00 1.01 -0.20 -4.98 120.40 117.26 3pva s VAL 302 Ca 0.04 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 3pva s VAL 302 Cb -0.09 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 3pva s VAL 302 CO 0.00 0.46 0.20 -0.55 0.00 0.00 0.00 175.10 175.21 3pva s SER 303 N 0.46 6.09 0.01 3.32 0.15 -1.26 -0.59 113.70 121.87 3pva s SER 303 Ca -0.16 0.08 -0.25 0.00 0.70 0.00 0.00 55.95 56.32 3pva s SER 303 Cb -0.17 -2.12 -0.19 0.00 -1.71 0.00 0.00 66.02 61.83 3pva s SER 303 CO 0.06 -0.02 1.38 0.25 1.20 0.00 0.00 173.24 176.11 3pva h LEU 304 N 8.03 0.02 -2.35 3.45 5.85 -1.79 -3.03 115.31 125.48 3pva h LEU 304 Ca -0.36 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 57.98 3pva h LEU 304 Cb 1.18 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3pva h LEU 304 CO 0.60 0.40 0.03 0.24 -0.34 0.00 0.00 178.44 179.37 3pva h MET 305 N -0.35 0.00 0.00 1.25 2.86 -1.86 -2.18 114.93 114.65 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 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3pva h MET 305 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 3pva h ALA 306 N 1.94 1.00 -1.70 6.32 0.00 -1.93 -3.46 119.26 121.44 3pva h ALA 306 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 3pva h ALA 306 Cb 0.05 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.87 3pva h ALA 306 CO 0.00 0.00 -0.23 -1.21 0.00 0.00 0.00 179.25 177.81 3pva s GLU 307 N -3.30 2.91 -0.44 0.00 0.41 -0.82 -5.06 118.70 112.40 3pva s GLU 307 Ca 0.06 -1.00 -0.27 0.00 -0.41 0.00 0.00 54.97 53.35 3pva s GLU 307 Cb 0.10 -2.71 0.03 0.00 -1.78 0.00 0.00 34.13 29.76 3pva s GLU 307 CO 0.52 -0.23 1.02 1.21 -0.49 0.00 0.00 175.26 177.29 3pva s ASN 308 N -4.29 6.61 0.00 -0.19 2.47 -1.26 -4.89 114.94 113.39 3pva s ASN 308 Ca 0.51 0.40 0.23 0.00 0.42 0.00 0.00 52.86 54.42 3pva s ASN 308 Cb -0.10 -2.50 1.26 0.00 -1.45 0.00 0.00 41.25 38.46 3pva s ASN 308 CO 0.34 -1.08 1.73 0.18 -3.72 0.00 0.00 177.10 174.55 3pva n LEU 309 N 7.33 0.00 -0.79 3.21 4.77 -1.26 -1.79 117.00 128.47 3pva n LEU 309 Ca 0.09 0.13 0.07 0.00 -0.03 0.00 0.00 56.01 56.27 3pva n LEU 309 Cb 0.48 -0.13 0.19 0.00 -2.33 0.00 0.00 43.42 41.64 3pva n LEU 309 CO 0.65 -0.04 0.66 0.59 -1.33 0.00 0.00 177.39 177.93 3pva n ASN 310 N -1.13 3.25 -4.59 -1.43 4.13 -1.26 0.16 115.26 114.38 3pva n ASN 310 Ca 0.14 -2.16 -0.36 0.00 1.68 0.00 0.00 54.58 53.88 3pva n ASN 310 Cb 0.12 -0.32 0.08 0.00 -1.54 0.00 0.00 39.78 38.12 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 0.51 0.23 0.07 6.41 7.64 -0.74 -4.88 113.62 122.86 3pva n SER 311 Ca 0.15 0.68 -0.10 0.00 1.01 0.00 0.00 58.87 60.61 3pva n SER 311 Cb 0.53 -1.37 -0.13 0.00 -1.01 0.00 0.00 64.21 62.24 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 -0.13 0.08 -6.21 1.43 1.08 -1.93 -3.44 115.11 105.98 3pva h GLN 312 Ca -0.47 -0.14 -0.49 0.00 -1.45 0.00 0.00 58.65 56.10 3pva h GLN 312 Cb 1.34 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.79 3pva h GLN 312 CO 0.47 1.06 -0.47 -0.51 -0.95 0.00 0.00 178.83 178.43 3pva s ASP 313 N -6.84 5.60 0.26 1.46 1.01 -1.26 -4.96 116.67 111.95 3pva s ASP 313 Ca -0.00 -0.28 -0.29 0.00 0.71 0.00 0.00 52.55 52.68 3pva s ASP 313 Cb 0.09 -1.31 -0.09 0.00 1.01 0.00 0.00 42.92 42.62 3pva s ASP 313 CO 0.84 -0.18 1.23 -0.76 0.21 0.00 0.00 175.17 176.50 3pva s LEU 314 N -3.94 4.47 -0.32 1.23 1.02 -1.26 -4.68 118.68 115.19 3pva s LEU 314 Ca 0.37 2.42 -0.08 0.00 0.02 0.00 0.00 54.13 56.86 3pva s LEU 314 Cb -0.08 -3.63 0.02 0.00 0.02 0.00 0.00 46.19 42.52 3pva s LEU 314 CO 0.27 -0.39 0.12 -0.63 0.02 0.00 0.00 176.35 175.74 3pva s ILE 315 N -0.67 4.18 0.09 -0.59 1.01 -1.07 -4.95 121.20 119.19 3pva s ILE 315 Ca 0.50 -0.76 0.07 0.00 0.00 0.00 0.00 60.65 60.46 3pva s ILE 315 Cb -0.36 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 3pva s ILE 315 CO 0.43 -0.04 -0.11 0.42 0.00 0.00 0.00 174.94 175.65 3pva s THR 316 N 1.51 3.34 -0.15 2.92 -4.23 -1.26 -0.21 115.64 117.56 3pva s THR 316 Ca 0.02 -1.23 -0.00 0.00 -1.18 0.00 0.00 61.69 59.30 3pva s THR 316 Cb -0.18 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.15 3pva s THR 316 CO 0.04 0.15 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.83 3pva s PHE 317 N -1.18 1.75 0.61 3.99 0.40 0.58 -4.99 117.98 119.14 3pva s PHE 317 Ca 0.20 -1.03 -0.14 0.00 -0.60 0.00 0.00 56.93 55.37 3pva s PHE 317 Cb -0.11 -1.35 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 3pva s PHE 317 CO 0.13 -0.60 1.04 -2.00 0.70 0.00 0.00 175.22 174.49 3pva s GLU 318 N 1.62 3.33 0.17 0.44 2.56 -1.26 0.21 118.70 125.78 3pva s GLU 318 Ca 0.03 1.07 -0.29 0.00 0.00 0.00 0.00 54.97 55.78 3pva s GLU 318 Cb -0.14 -2.04 -0.07 0.00 2.00 0.00 0.00 34.13 33.87 3pva s GLU 318 CO -0.08 -0.79 0.92 -1.58 -0.56 0.00 0.00 175.26 173.17 3pva s TRP 319 N -2.68 3.90 -0.56 5.30 0.52 -1.26 -4.86 118.94 119.29 3pva s TRP 319 Ca 0.61 1.82 -0.09 0.00 0.02 0.00 0.00 56.10 58.45 3pva s TRP 319 Cb -0.14 -2.98 0.14 0.00 -1.15 0.00 0.00 33.47 29.34 3pva s TRP 319 CO 0.42 0.35 0.44 0.34 0.02 0.00 0.00 176.95 178.52 3pva s ASP 320 N -0.64 5.83 0.00 2.95 2.15 -1.26 -4.95 116.67 120.75 3pva s ASP 320 Ca 0.43 -2.20 0.11 0.00 0.43 0.00 0.00 52.55 51.32 3pva s ASP 320 Cb -0.24 -2.03 0.64 0.00 -0.30 0.00 0.00 42.92 40.99 3pva s ASP 320 CO 0.30 -0.63 1.25 -1.14 -0.17 0.00 0.00 175.17 174.78 3pva n ARG 321 N 4.53 0.80 -3.55 4.34 3.00 -1.26 -4.74 116.66 119.78 3pva n ARG 321 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.49 3pva n ARG 321 Cb 0.41 -1.21 -0.05 0.00 0.00 0.00 0.00 32.46 31.61 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 3.77 -0.31 -0.14 -0.14 -1.26 -4.62 119.74 115.04 3pva s LYS 322 Ca 0.16 0.18 -0.29 0.00 -1.36 0.00 0.00 55.97 54.66 3pva s LYS 322 Cb 0.07 -2.93 -0.01 0.00 -1.68 0.00 0.00 37.83 33.28 3pva s LYS 322 CO 0.12 0.51 1.57 -1.14 -0.76 0.00 0.00 175.35 175.65 3pva s GLN 323 N -2.13 3.63 -1.38 1.68 2.00 -0.95 -4.49 119.66 118.02 3pva s GLN 323 Ca 0.36 1.36 -0.15 0.00 -2.00 0.00 0.00 55.36 54.93 3pva s GLN 323 Cb -0.13 -4.05 0.02 0.00 0.80 0.00 0.00 33.01 29.65 3pva s GLN 323 CO 0.20 -1.49 2.15 -3.47 -0.50 0.00 0.00 175.29 172.17 3pva n ASP 324 N 8.92 3.86 -4.73 6.67 -0.08 -1.26 -4.95 116.55 124.97 3pva n ASP 324 Ca 0.19 -2.83 -0.42 0.00 -1.51 0.00 0.00 54.79 50.22 3pva n ASP 324 Cb 0.46 -1.62 -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 3.54 3.62 -0.22 5.18 -1.09 -1.26 -4.86 121.20 126.12 3pva s ILE 325 Ca 0.49 1.27 -0.17 0.00 -2.23 0.00 0.00 60.65 60.01 3pva s ILE 325 Cb 0.13 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 3pva s ILE 325 CO -0.05 0.16 0.48 -0.75 -1.23 0.00 0.00 174.94 173.54 3pva s LYS 326 N 0.30 4.15 -0.21 2.79 2.20 -1.26 -5.04 119.74 122.67 3pva s LYS 326 Ca 0.56 0.32 -0.23 0.00 -0.36 0.00 0.00 55.97 56.26 3pva s LYS 326 Cb -0.33 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.40 3pva s LYS 326 CO 0.34 -0.17 0.72 -0.65 -0.36 0.00 0.00 175.35 175.24 3pva s GLN 327 N 1.70 4.21 0.05 4.03 -0.21 -1.26 -4.92 119.66 123.26 3pva s GLN 327 Ca 0.22 0.77 0.02 0.00 0.02 0.00 0.00 55.36 56.39 3pva s GLN 327 Cb -0.15 -3.61 -0.25 0.00 1.00 0.00 0.00 33.01 30.00 3pva s GLN 327 CO 0.09 -0.36 1.03 -0.07 -2.12 0.00 0.00 175.29 173.86 3pva h LEU 328 N 8.58 0.21 0.00 2.90 4.07 -2.01 -3.47 115.31 125.60 3pva h LEU 328 Ca -0.28 -0.27 -0.29 0.00 0.08 0.00 0.00 57.88 57.13 3pva h LEU 328 Cb 1.12 -0.07 -0.07 0.00 1.08 0.00 0.00 40.66 42.72 3pva h LEU 328 CO 0.81 1.22 -0.27 -0.46 -1.08 0.00 0.00 178.44 178.66 3pva n ASN 329 N -3.38 -0.11 -4.57 -0.43 6.94 -1.26 -5.06 115.26 107.40 3pva n ASN 329 Ca -0.09 -2.27 -0.34 0.00 -0.02 0.00 0.00 54.58 51.85 3pva n ASN 329 Cb 1.01 0.90 -0.04 0.00 -2.36 0.00 0.00 39.78 39.28 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 -2.81 3.13 0.87 -3.83 2.00 -1.26 -4.97 119.66 112.80 3pva s GLN 330 Ca 0.21 -0.96 -0.12 0.00 -2.00 0.00 0.00 55.36 52.49 3pva s GLN 330 Cb 0.01 -5.27 0.11 0.00 0.80 0.00 0.00 33.01 28.67 3pva s GLN 330 CO 0.15 -2.87 1.09 0.08 -0.50 0.00 0.00 175.29 173.24 3pva s VAL 331 N 7.49 2.73 -0.39 1.34 1.01 -1.26 -4.96 120.40 126.37 3pva s VAL 331 Ca 0.59 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.87 3pva s VAL 331 Cb -0.02 -2.80 0.68 0.00 0.00 0.00 0.00 36.38 34.25 3pva s VAL 331 CO -0.01 -0.31 1.84 -3.20 0.00 0.00 0.00 175.10 173.42 3pva n ASN 332 N -3.77 4.03 -3.17 3.32 5.15 -1.26 -4.98 115.26 114.58 3pva n ASN 332 Ca 0.07 -3.48 -0.12 0.00 -0.60 0.00 0.00 54.58 50.45 3pva n ASN 332 Cb 0.56 -0.79 0.00 0.00 -0.53 0.00 0.00 39.78 39.02 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 -0.79 -1.24 -1.53 3.44 0.31 -1.26 -5.31 118.33 111.95 3pva n VAL 333 Ca 0.51 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 3pva n VAL 333 Cb 1.52 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 3pva n VAL 333 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31