#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 2.17 -0.15 0.00 0.01 -1.23 -3.92 113.70 110.58 3pva s SER 2 Ca 0.00 -0.94 -0.30 0.00 1.31 0.00 0.00 55.95 56.03 3pva s SER 2 Cb 0.00 -0.08 0.11 0.00 0.21 0.00 0.00 66.02 66.26 3pva s SER 2 CO 0.00 -0.20 0.91 -0.94 0.41 0.00 0.00 173.24 173.42 3pva s SER 3 N -2.94 -0.47 0.25 2.44 1.04 0.14 -0.89 113.70 113.26 3pva s SER 3 Ca 0.16 0.57 -0.20 0.00 0.48 0.00 0.00 55.95 56.95 3pva s SER 3 Cb -0.02 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.60 3pva s SER 3 CO 0.04 -0.39 0.66 -1.48 0.98 0.00 0.00 173.24 173.05 3pva s LEU 4 N -0.95 -0.24 0.05 2.42 2.34 -0.33 0.11 118.68 122.08 3pva s LEU 4 Ca -0.04 -0.50 0.02 0.00 0.06 0.00 0.00 54.13 53.67 3pva s LEU 4 Cb -0.01 2.58 -0.03 0.00 -0.56 0.00 0.00 46.19 48.17 3pva s LEU 4 CO 0.03 -1.23 -0.08 -0.94 -1.06 0.00 0.00 176.35 173.07 3pva s SER 5 N -2.89 0.91 0.28 1.48 1.04 -0.44 -0.49 113.70 113.59 3pva s SER 5 Ca 0.10 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.94 3pva s SER 5 Cb -0.04 0.04 -0.06 0.00 0.10 0.00 0.00 66.02 66.07 3pva s SER 5 CO 0.02 -0.24 0.08 0.27 0.98 0.00 0.00 173.24 174.35 3pva s ILE 6 N -1.68 0.79 -0.08 -1.02 -0.00 0.01 -4.92 121.20 114.30 3pva s ILE 6 Ca -0.07 -2.00 0.04 0.00 -0.00 0.00 0.00 60.65 58.62 3pva s ILE 6 Cb -0.08 -2.67 -0.00 0.00 -0.00 0.00 0.00 42.46 39.71 3pva s ILE 6 CO -0.00 -0.02 -0.23 -0.60 -0.00 0.00 0.00 174.94 174.09 3pva s ARG 7 N -3.98 2.68 0.83 0.37 6.06 -1.26 -1.84 118.95 121.81 3pva s ARG 7 Ca 0.37 -0.82 -0.07 0.00 -2.50 0.00 0.00 55.73 52.71 3pva s ARG 7 Cb 0.08 -2.11 0.18 0.00 0.06 0.00 0.00 34.95 33.16 3pva s ARG 7 CO 0.14 0.22 1.13 0.25 -2.50 0.00 0.00 175.30 174.55 3pva n THR 8 N 3.36 0.00 0.66 4.11 -2.24 0.11 -4.54 114.28 115.74 3pva n THR 8 Ca -0.19 -1.32 0.13 0.00 -2.27 0.00 0.00 64.05 60.40 3pva n THR 8 Cb 0.53 -1.15 0.31 0.00 -2.10 0.00 0.00 70.33 67.91 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 -3.26 0.39 0.99 4.28 -2.24 0.19 -3.50 114.28 111.13 3pva n THR 9 Ca 0.16 -0.23 0.11 0.00 -2.27 0.00 0.00 64.05 61.82 3pva n THR 9 Cb 0.58 -0.31 0.54 0.00 -2.10 0.00 0.00 70.33 69.04 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 -2.07 0.00 -1.75 3.42 2.03 -1.23 -4.88 116.55 112.06 3pva n ASP 10 Ca 0.05 0.06 -0.11 0.00 0.52 0.00 0.00 54.79 55.31 3pva n ASP 10 Cb 0.42 -0.32 0.03 0.00 -0.72 0.00 0.00 41.12 40.53 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 -3.89 -4.66 1.67 8.00 -1.23 -5.04 116.55 110.08 3pva n ASP 11 Ca 0.10 -0.19 -0.33 0.00 0.71 0.00 0.00 54.79 55.07 3pva n ASP 11 Cb 0.19 -2.63 -0.09 0.00 -0.02 0.00 0.00 41.12 38.56 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 -5.34 2.79 -0.10 -1.24 1.02 -1.26 -4.93 119.74 110.69 3pva s LYS 12 Ca 0.21 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.63 3pva s LYS 12 Cb -0.09 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.53 3pva s LYS 12 CO 0.26 0.64 -0.11 -1.12 -0.92 0.00 0.00 175.35 174.10 3pva s SER 13 N -1.29 4.26 0.03 2.83 0.01 -1.26 0.04 113.70 118.32 3pva s SER 13 Ca 0.17 -0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.26 3pva s SER 13 Cb -0.11 -1.36 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 3pva s SER 13 CO 0.07 0.25 -0.11 -0.76 0.41 0.00 0.00 173.24 173.10 3pva s LEU 14 N -0.14 2.17 0.01 2.44 1.02 -0.77 -0.78 118.68 122.63 3pva s LEU 14 Ca 0.00 -0.43 0.05 0.00 0.02 0.00 0.00 54.13 53.77 3pva s LEU 14 Cb -0.13 -0.42 -0.02 0.00 0.02 0.00 0.00 46.19 45.64 3pva s LEU 14 CO 0.03 -0.03 -0.15 0.12 0.02 0.00 0.00 176.35 176.34 3pva s PHE 15 N -0.90 1.30 0.03 0.29 5.36 -0.37 -0.81 117.98 122.88 3pva s PHE 15 Ca -0.02 -0.30 -0.04 0.00 -0.96 0.00 0.00 56.93 55.61 3pva s PHE 15 Cb -0.08 -0.80 -0.01 0.00 -0.34 0.00 0.00 43.02 41.79 3pva s PHE 15 CO 0.01 0.01 0.06 0.00 -1.46 0.00 0.00 175.22 173.84 3pva s ALA 16 N -0.58 -0.03 0.03 11.12 0.00 0.35 -0.31 121.76 132.35 3pva s ALA 16 Ca 0.04 -0.53 -0.17 0.00 0.00 0.00 0.00 51.96 51.31 3pva s ALA 16 Cb -0.07 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.28 3pva s ALA 16 CO 0.00 -0.26 0.37 -0.98 0.00 0.00 0.00 175.76 174.90 3pva s ARG 17 N -2.15 0.85 0.08 0.00 1.04 -0.66 -1.19 118.95 116.92 3pva s ARG 17 Ca -0.09 -0.35 0.02 0.00 -1.04 0.00 0.00 55.73 54.27 3pva s ARG 17 Cb -0.04 0.38 -0.04 0.00 -2.04 0.00 0.00 34.95 33.21 3pva s ARG 17 CO -0.03 -0.28 0.12 0.95 -0.04 0.00 0.00 175.30 176.03 3pva s THR 18 N -2.25 4.76 -0.34 4.99 -4.23 -0.07 -1.05 115.64 117.44 3pva s THR 18 Ca -0.07 -0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.72 3pva s THR 18 Cb -0.02 -3.32 0.07 0.00 1.34 0.00 0.00 72.50 70.58 3pva s THR 18 CO -0.01 0.10 0.08 -0.32 -0.54 0.00 0.00 174.62 173.93 3pva s MET 19 N -2.51 2.27 -0.37 3.99 1.75 -0.59 -3.56 119.30 120.28 3pva s MET 19 Ca 0.31 -1.46 -0.07 0.00 -1.25 0.00 0.00 55.69 53.22 3pva s MET 19 Cb -0.12 -3.34 0.06 0.00 2.84 0.00 0.00 34.83 34.26 3pva s MET 19 CO 0.24 -0.79 0.16 -0.51 -0.65 0.00 0.00 175.02 173.47 3pva s ASP 20 N 1.45 5.39 0.20 1.11 1.01 -1.26 -1.00 116.67 123.56 3pva s ASP 20 Ca 0.00 -1.36 -0.01 0.00 0.71 0.00 0.00 52.55 51.90 3pva s ASP 20 Cb -0.21 -1.89 -0.04 0.00 1.01 0.00 0.00 42.92 41.79 3pva s ASP 20 CO -0.02 -0.41 0.11 0.12 0.21 0.00 0.00 175.17 175.17 3pva s PHE 21 N 1.37 1.17 -1.36 4.23 5.36 -0.90 -4.44 117.98 123.42 3pva s PHE 21 Ca 0.01 -1.31 0.25 0.00 -0.96 0.00 0.00 56.93 54.93 3pva s PHE 21 Cb -0.21 -0.61 0.59 0.00 -0.34 0.00 0.00 43.02 42.45 3pva s PHE 21 CO 0.02 -0.55 1.46 0.25 -1.46 0.00 0.00 175.22 174.94 3pva n THR 22 N -0.27 0.00 -3.77 0.12 -2.24 -1.26 -2.62 114.28 104.25 3pva n THR 22 Ca -0.00 -0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.60 3pva n THR 22 Cb 0.66 0.36 -0.08 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.76 0.77 -0.57 -0.78 -2.45 -1.26 -4.76 119.30 107.48 3pva s MET 23 Ca 0.17 -0.46 -0.05 0.00 -1.25 0.00 0.00 55.69 54.11 3pva s MET 23 Cb 0.18 0.33 0.15 0.00 1.25 0.00 0.00 34.83 36.74 3pva s MET 23 CO 0.62 -0.24 0.40 -1.21 1.05 0.00 0.00 175.02 175.65 3pva s GLU 24 N -2.31 2.52 0.60 4.11 2.02 -1.26 -5.08 118.70 119.31 3pva s GLU 24 Ca -0.07 -2.26 -0.18 0.00 0.02 0.00 0.00 54.97 52.48 3pva s GLU 24 Cb -0.02 -3.79 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 3pva s GLU 24 CO -0.02 -1.17 1.17 -1.25 0.02 0.00 0.00 175.26 174.02 3pva s PRO 25 N 0.42 2.96 0.04 0.39 0.04 -1.26 -4.84 135.00 132.75 3pva s PRO 25 Ca 0.14 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 3pva s PRO 25 Cb -0.21 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 3pva s PRO 25 CO -0.04 -1.18 1.87 -0.51 0.04 0.00 0.00 177.00 177.18 3pva s ASP 26 N -1.82 6.49 0.10 6.66 1.01 -1.26 -4.93 116.67 122.92 3pva s ASP 26 Ca 0.74 2.61 0.05 0.00 0.71 0.00 0.00 52.55 56.66 3pva s ASP 26 Cb -0.27 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.09 3pva s ASP 26 CO 0.34 -1.01 -0.13 -0.44 0.21 0.00 0.00 175.17 174.13 3pva s SER 27 N 3.84 1.73 0.27 0.27 0.01 -1.26 -4.51 113.70 114.06 3pva s SER 27 Ca 0.84 -0.74 -0.21 0.00 1.31 0.00 0.00 55.95 57.15 3pva s SER 27 Cb -0.42 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 65.80 3pva s SER 27 CO 0.38 -0.15 0.72 -1.59 0.41 0.00 0.00 173.24 173.01 3pva s LYS 28 N -2.36 1.77 -0.04 12.44 0.00 -0.97 -4.63 119.74 125.94 3pva s LYS 28 Ca 0.04 -0.97 -0.24 0.00 0.00 0.00 0.00 55.97 54.80 3pva s LYS 28 Cb -0.06 0.61 -0.04 0.00 0.00 0.00 0.00 37.83 38.34 3pva s LYS 28 CO 0.02 -0.81 0.73 0.54 0.00 0.00 0.00 175.35 175.83 3pva s VAL 29 N -3.91 4.99 -0.10 1.79 0.11 0.12 -2.35 120.40 121.05 3pva s VAL 29 Ca 0.11 1.52 0.02 0.00 -2.93 0.00 0.00 61.98 60.69 3pva s VAL 29 Cb -0.06 -4.07 -0.02 0.00 -1.53 0.00 0.00 36.38 30.70 3pva s VAL 29 CO 0.06 0.26 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.32 3pva s ILE 30 N 0.67 2.93 -0.23 7.04 1.01 0.01 -0.24 121.20 132.38 3pva s ILE 30 Ca 0.39 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 3pva s ILE 30 Cb -0.18 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 3pva s ILE 30 CO 0.20 0.55 0.12 -0.63 0.00 0.00 0.00 174.94 175.18 3pva s ILE 31 N -0.06 4.94 -0.28 2.92 1.01 0.15 -2.06 121.20 127.83 3pva s ILE 31 Ca -0.03 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.57 3pva s ILE 31 Cb -0.14 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 3pva s ILE 31 CO 0.04 0.36 0.10 -0.69 0.00 0.00 0.00 174.94 174.75 3pva s VAL 32 N 1.15 4.39 0.55 2.92 1.01 0.84 -2.56 120.40 128.71 3pva s VAL 32 Ca 0.06 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 3pva s VAL 32 Cb -0.14 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 3pva s VAL 32 CO 0.04 0.21 0.97 -2.16 0.00 0.00 0.00 175.10 174.16 3pva s PRO 33 N 1.60 3.75 0.57 2.72 0.04 -1.26 -0.59 135.00 141.83 3pva s PRO 33 Ca 0.05 0.76 -0.20 0.00 0.04 0.00 0.00 61.00 61.66 3pva s PRO 33 Cb -0.16 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 3pva s PRO 33 CO 0.05 -0.37 1.01 0.54 0.04 0.00 0.00 177.00 178.26 3pva n ARG 34 N -2.10 1.05 -3.15 4.56 1.74 0.23 -2.85 116.66 116.14 3pva n ARG 34 Ca 0.05 0.40 -0.23 0.00 -0.77 0.00 0.00 57.85 57.31 3pva n ARG 34 Cb 0.54 -2.18 0.02 0.00 -1.02 0.00 0.00 32.46 29.82 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 -0.56 -5.27 0.13 0.55 5.03 0.16 -4.78 115.26 110.53 3pva n ASN 35 Ca 0.13 -0.33 -0.24 0.00 0.87 0.00 0.00 54.58 55.01 3pva n ASN 35 Cb 0.46 -4.28 -0.16 0.00 -1.02 0.00 0.00 39.78 34.78 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 -1.27 0.91 0.00 3.10 3.20 -1.73 -3.45 116.97 117.73 3pva h TYR 36 Ca -0.50 -0.67 0.00 0.00 3.14 0.00 0.00 58.73 60.71 3pva h TYR 36 Cb 1.34 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.57 3pva h TYR 36 CO 0.58 1.59 0.00 0.41 -1.64 0.00 0.00 178.16 179.10 3pva n GLY 37 N 1.75 -0.79 3.04 1.82 0.00 -1.26 -4.93 105.19 104.82 3pva n GLY 37 Ca -0.19 -1.27 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.08 1.07 0.79 -0.61 -1.09 0.17 -4.89 121.20 115.55 3pva s ILE 38 Ca 0.00 -0.48 -0.13 0.00 -2.23 0.00 0.00 60.65 57.81 3pva s ILE 38 Cb 0.00 -0.96 0.07 0.00 -1.58 0.00 0.00 42.46 39.99 3pva s ILE 38 CO 0.00 0.33 1.16 -0.13 -1.23 0.00 0.00 174.94 175.07 3pva s ARG 39 N 0.40 1.85 -0.21 2.79 1.81 -1.26 -1.07 118.95 123.27 3pva s ARG 39 Ca -0.09 1.57 -0.01 0.00 -1.72 0.00 0.00 55.73 55.48 3pva s ARG 39 Cb -0.13 -1.82 -0.13 0.00 -0.45 0.00 0.00 34.95 32.43 3pva s ARG 39 CO 0.02 -2.01 -0.20 -0.11 -0.68 0.00 0.00 175.30 172.32 3pva n LEU 40 N -3.30 2.69 -4.26 2.53 7.94 -1.20 -4.83 117.00 116.56 3pva n LEU 40 Ca 0.12 -0.03 -0.23 0.00 -1.11 0.00 0.00 56.01 54.75 3pva n LEU 40 Cb 0.51 -0.70 -0.13 0.00 0.53 0.00 0.00 43.42 43.63 3pva n LEU 40 CO 0.49 0.77 -0.51 -0.76 -1.11 0.00 0.00 177.39 176.27 3pva s LEU 41 N -6.40 2.27 0.32 -1.96 1.02 -1.26 -0.76 118.68 111.91 3pva s LEU 41 Ca -0.28 -0.64 0.23 0.00 0.02 0.00 0.00 54.13 53.46 3pva s LEU 41 Cb 0.08 -0.85 0.31 0.00 0.02 0.00 0.00 46.19 45.76 3pva s LEU 41 CO 0.45 0.06 1.45 -0.08 0.02 0.00 0.00 176.35 178.26 3pva h GLU 42 N 4.28 0.00 -0.54 1.70 4.57 -1.93 -3.28 114.58 119.37 3pva h GLU 42 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 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 0.41 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.87 3pva n LYS 43 N -2.79 3.14 -4.19 1.92 5.02 -1.26 -4.90 118.16 115.10 3pva n LYS 43 Ca 0.03 -2.58 -0.16 0.00 -2.02 0.00 0.00 58.31 53.57 3pva n LYS 43 Cb 0.51 -1.62 -0.13 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.48 0.64 0.00 1.97 2.02 -1.24 -5.06 118.70 115.54 3pva s GLU 44 Ca 0.41 -0.58 0.20 0.00 0.02 0.00 0.00 54.97 55.02 3pva s GLU 44 Cb 0.25 -0.55 0.53 0.00 0.10 0.00 0.00 34.13 34.46 3pva s GLU 44 CO 0.23 0.13 1.44 0.27 0.02 0.00 0.00 175.26 177.35 3pva n ASN 45 N 2.07 3.01 -4.70 -0.19 0.23 -1.26 -4.53 115.26 109.89 3pva n ASN 45 Ca -0.18 -1.96 -0.42 0.00 -0.53 0.00 0.00 54.58 51.49 3pva n ASN 45 Cb 0.56 -0.32 -0.03 0.00 -2.08 0.00 0.00 39.78 37.91 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 -1.36 2.44 -0.19 3.53 1.01 -1.26 -4.98 120.40 119.59 3pva s VAL 46 Ca 0.38 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.51 3pva s VAL 46 Cb 0.21 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.50 3pva s VAL 46 CO 0.28 0.01 -0.15 -0.69 0.00 0.00 0.00 175.10 174.54 3pva s VAL 47 N 1.98 2.50 -0.07 2.92 1.01 -1.26 -3.27 120.40 124.21 3pva s VAL 47 Ca 0.76 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 3pva s VAL 47 Cb -0.46 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 3pva s VAL 47 CO 0.34 0.50 0.61 -0.63 0.00 0.00 0.00 175.10 175.92 3pva s ILE 48 N 1.28 5.07 0.06 2.22 -1.09 -0.23 -4.83 121.20 123.69 3pva s ILE 48 Ca 0.04 1.25 -0.30 0.00 -2.23 0.00 0.00 60.65 59.41 3pva s ILE 48 Cb -0.14 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.74 3pva s ILE 48 CO -0.09 0.30 1.06 0.21 -1.23 0.00 0.00 174.94 175.19 3pva s ASN 49 N 0.60 7.30 -0.18 3.58 3.84 -1.26 -0.66 114.94 128.16 3pva s ASN 49 Ca 0.33 1.85 -0.21 0.00 0.21 0.00 0.00 52.86 55.04 3pva s ASN 49 Cb -0.17 -2.58 -0.03 0.00 -0.55 0.00 0.00 41.25 37.92 3pva s ASN 49 CO 0.15 -0.28 0.63 0.54 -2.79 0.00 0.00 177.10 175.35 3pva s ASN 50 N 0.67 6.72 0.19 -4.21 4.22 -1.26 -4.90 114.94 116.36 3pva s ASN 50 Ca 0.53 0.88 -0.10 0.00 -2.14 0.00 0.00 52.86 52.02 3pva s ASN 50 Cb -0.25 -2.35 0.10 0.00 1.28 0.00 0.00 41.25 40.03 3pva s ASN 50 CO 0.30 -0.23 1.72 0.28 -2.04 0.00 0.00 177.10 177.13 3pva h SER 51 N 7.33 0.96 -3.38 3.54 0.02 -1.75 0.46 113.55 120.73 3pva h SER 51 Ca -0.33 -0.20 -0.65 0.00 -0.84 0.00 0.00 61.79 59.76 3pva h SER 51 Cb 1.15 -0.25 -0.13 0.00 0.14 0.00 0.00 62.40 63.31 3pva h SER 51 CO 0.77 0.91 -0.67 -0.31 -1.14 0.00 0.00 176.83 176.39 3pva s TYR 52 N -5.43 2.96 0.43 3.45 2.02 0.10 -4.58 117.35 116.30 3pva s TYR 52 Ca -0.12 -0.04 -0.18 0.00 -0.37 0.00 0.00 57.07 56.35 3pva s TYR 52 Cb 0.14 -1.53 -0.10 0.00 -0.40 0.00 0.00 41.96 40.08 3pva s TYR 52 CO 0.82 0.47 0.91 0.00 -1.57 0.00 0.00 175.55 176.19 3pva s ALA 53 N -1.29 3.11 0.05 3.71 0.00 -1.26 -4.41 121.76 121.67 3pva s ALA 53 Ca 0.25 0.25 -0.25 0.00 0.00 0.00 0.00 51.96 52.21 3pva s ALA 53 Cb -0.12 -3.05 0.06 0.00 0.00 0.00 0.00 23.12 20.01 3pva s ALA 53 CO 0.17 0.06 0.59 -0.59 0.00 0.00 0.00 175.76 175.99 3pva s PHE 54 N -2.27 -0.52 0.01 0.00 -0.12 0.24 -1.91 117.98 113.42 3pva s PHE 54 Ca 0.59 0.61 0.05 0.00 -0.05 0.00 0.00 56.93 58.13 3pva s PHE 54 Cb -0.09 0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 42.70 3pva s PHE 54 CO 0.19 -0.69 -0.16 0.54 -0.05 0.00 0.00 175.22 175.05 3pva s VAL 55 N -2.49 1.26 0.00 -2.49 0.11 0.52 -0.11 120.40 117.20 3pva s VAL 55 Ca -0.05 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 3pva s VAL 55 Cb -0.01 -1.09 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 3pva s VAL 55 CO -0.02 0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.58 3pva n GLY 56 N 2.30 0.62 3.69 6.54 0.00 -0.87 -1.01 105.19 116.46 3pva n GLY 56 Ca -0.16 -0.72 -0.35 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 -0.71 3.91 0.00 1.61 -2.45 -1.19 -0.81 119.30 119.66 3pva s MET 57 Ca 0.00 -0.29 -0.00 0.00 -1.25 0.00 0.00 55.69 54.15 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 0.37 0.01 0.41 1.05 0.00 0.00 175.02 176.85 3pva n GLY 58 N 3.26 1.84 3.45 2.11 0.00 -0.99 0.56 105.19 115.42 3pva n GLY 58 Ca -0.17 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.02 3.67 -0.18 1.61 0.15 0.67 -2.29 113.70 116.32 3pva s SER 59 Ca 0.00 -0.59 0.17 0.00 0.70 0.00 0.00 55.95 56.23 3pva s SER 59 Cb -0.00 -0.45 0.50 0.00 -1.71 0.00 0.00 66.02 64.35 3pva s SER 59 CO 0.00 0.20 1.39 0.35 1.20 0.00 0.00 173.24 176.38 3pva n THR 60 N 1.04 2.25 0.70 6.45 -2.24 -1.26 -0.33 114.28 120.89 3pva n THR 60 Ca -0.16 -1.97 0.13 0.00 -2.27 0.00 0.00 64.05 59.78 3pva n THR 60 Cb 0.53 -0.26 0.42 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.66 0.65 -2.73 3.42 8.00 -1.26 -4.86 116.55 119.10 3pva n ASP 61 Ca 0.21 0.51 -0.08 0.00 0.71 0.00 0.00 54.79 56.14 3pva n ASP 61 Cb 0.87 -0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 41.31 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 -2.10 0.00 0.06 0.53 -5.35 -1.26 -5.02 119.36 106.22 3pva n ILE 62 Ca 0.06 -0.61 -0.12 0.00 -0.27 0.00 0.00 62.75 61.80 3pva n ILE 62 Cb 0.41 -0.09 -0.07 0.00 -1.74 0.00 0.00 39.64 38.15 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 0.84 0.00 -2.33 7.28 2.02 -1.96 -3.43 112.91 115.34 3pva h THR 63 Ca -0.10 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.58 3pva h THR 63 Cb 0.34 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3pva h THR 63 CO 0.17 0.00 -0.45 -0.44 0.37 0.00 0.00 175.52 175.17 3pva s SER 64 N -4.09 6.27 0.26 4.18 0.01 -1.26 -5.00 113.70 114.07 3pva s SER 64 Ca -0.12 0.09 -0.31 0.00 1.31 0.00 0.00 55.95 56.92 3pva s SER 64 Cb 0.05 -1.85 -0.12 0.00 0.21 0.00 0.00 66.02 64.30 3pva s SER 64 CO 0.44 -0.02 1.53 -2.65 0.41 0.00 0.00 173.24 172.94 3pva n PRO 65 N -1.08 2.40 -3.57 12.44 -0.02 -1.26 -4.85 135.00 139.06 3pva n PRO 65 Ca -0.08 0.86 -0.40 0.00 -2.02 0.00 0.00 63.50 61.85 3pva n PRO 65 Cb 0.56 -2.59 -0.11 0.00 -0.02 0.00 0.00 33.50 31.34 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 0.09 4.95 -0.12 -1.45 1.01 0.56 -4.82 120.40 120.60 3pva s VAL 66 Ca 0.67 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 3pva s VAL 66 Cb -0.57 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3pva s VAL 66 CO 0.47 -0.06 0.09 -0.76 0.00 0.00 0.00 175.10 174.85 3pva s LEU 67 N 1.66 4.09 -0.04 3.92 1.02 -1.26 -0.24 118.68 127.82 3pva s LEU 67 Ca 0.05 0.32 0.01 0.00 0.02 0.00 0.00 54.13 54.53 3pva s LEU 67 Cb -0.18 -1.99 -0.26 0.00 0.02 0.00 0.00 46.19 43.79 3pva s LEU 67 CO 0.08 0.36 0.67 1.88 0.02 0.00 0.00 176.35 179.36 3pva h TYR 68 N 5.32 0.30 -3.00 0.29 0.05 -0.27 -3.42 116.97 116.24 3pva h TYR 68 Ca -0.51 -0.22 0.01 0.00 0.05 0.00 0.00 58.73 58.06 3pva h TYR 68 Cb 1.21 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.92 3pva h TYR 68 CO 0.69 1.37 0.26 0.16 -1.05 0.00 0.00 178.16 179.58 3pva s ASP 69 N -6.70 -0.09 0.00 3.88 1.47 -1.23 -0.13 116.67 113.86 3pva s ASP 69 Ca -0.11 -0.95 0.00 0.00 1.18 0.00 0.00 52.55 52.67 3pva s ASP 69 Cb 0.07 0.81 0.00 0.00 -0.34 0.00 0.00 42.92 43.46 3pva s ASP 69 CO 0.82 -1.57 0.00 0.61 0.68 0.00 0.00 175.17 175.71 3pva n GLY 70 N -0.50 2.14 3.38 2.12 0.00 -0.79 -3.16 105.19 108.38 3pva n GLY 70 Ca -0.07 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 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 2.15 0.70 1.61 1.01 -0.18 -2.22 120.40 121.48 3pva s VAL 71 Ca 0.00 -1.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.08 3pva s VAL 71 Cb 0.00 -1.96 0.10 0.00 0.00 0.00 0.00 36.38 34.52 3pva s VAL 71 CO 0.00 -0.08 0.98 0.20 0.00 0.00 0.00 175.10 176.20 3pva s ASN 72 N -2.38 4.51 0.14 3.32 0.02 -0.78 -0.36 114.94 119.41 3pva s ASN 72 Ca 0.16 -0.07 0.25 0.00 -1.02 0.00 0.00 52.86 52.18 3pva s ASN 72 Cb -0.08 -0.43 0.58 0.00 0.02 0.00 0.00 41.25 41.33 3pva s ASN 72 CO 0.07 -1.74 1.53 -1.84 0.02 0.00 0.00 177.10 175.14 3pva n GLU 73 N -2.84 0.25 0.00 -0.60 0.28 -0.80 -3.09 120.64 113.85 3pva n GLU 73 Ca 0.12 0.13 0.11 0.00 -0.16 0.00 0.00 57.16 57.36 3pva n GLU 73 Cb 0.60 -1.71 0.14 0.00 1.43 0.00 0.00 31.44 31.90 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 -2.10 0.03 -0.18 3.44 4.01 -1.26 -4.98 118.16 117.12 3pva n LYS 74 Ca 0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 3pva n LYS 74 Cb 0.42 -1.51 0.00 0.00 -0.51 0.00 0.00 35.03 33.43 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 1.49 0.68 3.74 0.72 0.00 -1.18 -4.73 105.19 105.91 3pva n GLY 75 Ca 0.05 0.00 -0.40 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 4.51 0.12 0.99 2.96 -1.26 -2.89 118.68 123.10 3pva s LEU 76 Ca 0.00 1.69 0.11 0.00 -0.22 0.00 0.00 54.13 55.71 3pva s LEU 76 Cb 0.00 -3.46 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 3pva s LEU 76 CO 0.00 0.01 -0.26 -0.04 -1.32 0.00 0.00 176.35 174.73 3pva s MET 77 N -0.24 1.42 0.12 1.98 -1.94 0.22 -1.87 119.30 118.99 3pva s MET 77 Ca 0.43 -1.30 -0.26 0.00 -1.71 0.00 0.00 55.69 52.85 3pva s MET 77 Cb -0.23 -1.86 0.08 0.00 2.01 0.00 0.00 34.83 34.83 3pva s MET 77 CO 0.28 0.45 1.04 0.20 -0.01 0.00 0.00 175.02 176.97 3pva s GLY 78 N -1.94 -0.26 0.01 -0.03 0.00 -0.94 0.30 107.32 104.46 3pva s GLY 78 Ca 0.13 0.23 -0.28 0.00 0.00 0.00 0.00 44.72 44.80 3pva s GLY 78 CO 0.05 0.13 0.65 0.00 0.00 0.00 0.00 173.10 173.94 3pva s ALA 79 N -3.05 -1.71 -0.16 3.20 0.00 -0.61 -1.88 121.76 117.56 3pva s ALA 79 Ca 0.13 1.06 -0.16 0.00 0.00 0.00 0.00 51.96 53.00 3pva s ALA 79 Cb 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 3pva s ALA 79 CO 0.01 -0.49 0.37 -1.64 0.00 0.00 0.00 175.76 174.01 3pva s MET 80 N -1.97 4.27 0.15 0.00 -1.94 0.81 -2.35 119.30 118.27 3pva s MET 80 Ca -0.07 0.23 0.07 0.00 -1.71 0.00 0.00 55.69 54.20 3pva s MET 80 Cb -0.00 -3.45 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 3pva s MET 80 CO 0.03 0.15 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.54 3pva s LEU 81 N 0.71 2.45 0.62 -0.03 1.02 -0.62 -4.91 118.68 117.92 3pva s LEU 81 Ca 0.20 -0.88 -0.18 0.00 0.02 0.00 0.00 54.13 53.29 3pva s LEU 81 Cb -0.14 -0.60 -0.02 0.00 0.02 0.00 0.00 46.19 45.45 3pva s LEU 81 CO 0.07 -0.15 1.20 -0.47 0.02 0.00 0.00 176.35 177.02 3pva s TYR 82 N -2.39 2.33 -0.39 0.29 5.04 -1.26 -0.56 117.35 120.41 3pva s TYR 82 Ca 0.13 1.53 0.11 0.00 -2.44 0.00 0.00 57.07 56.41 3pva s TYR 82 Cb -0.03 -3.47 0.38 0.00 0.35 0.00 0.00 41.96 39.19 3pva s TYR 82 CO 0.04 -2.28 1.07 0.98 -1.34 0.00 0.00 175.55 174.02 3pva n TYR 83 N -1.86 -1.10 -1.60 4.97 9.36 -0.04 -4.12 117.16 122.78 3pva n TYR 83 Ca 0.13 -2.58 -0.41 0.00 3.32 0.00 0.00 57.90 58.36 3pva n TYR 83 Cb 0.50 0.69 0.01 0.00 -0.63 0.00 0.00 39.34 39.91 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 -0.06 0.04 -0.08 2.98 0.00 -1.26 -1.78 120.51 120.35 3pva n ALA 84 Ca 0.08 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3pva n ALA 84 Cb 0.77 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.53 0.00 0.00 0.00 -1.04 -1.26 -4.61 114.28 106.83 3pva n THR 85 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3pva n THR 85 Cb 0.39 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 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 -1.68 -1.42 3.72 -0.99 -5.03 117.46 110.06 3pva n PHE 86 Ca 0.00 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.95 3pva n PHE 86 Cb 0.00 0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.53 3pva n PHE 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3pva n ALA 87 N -2.59 1.59 -3.64 4.37 0.00 -0.73 -4.02 120.51 115.49 3pva n ALA 87 Ca 0.00 0.34 -0.27 0.00 0.00 0.00 0.00 53.44 53.51 3pva n ALA 87 Cb 0.43 -2.50 -0.17 0.00 0.00 0.00 0.00 19.45 17.21 3pva n ALA 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3pva s THR 88 N 2.61 1.29 -0.00 0.00 2.01 0.13 -4.93 115.64 116.75 3pva s THR 88 Ca 0.84 -0.52 0.07 0.00 0.31 0.00 0.00 61.69 62.39 3pva s THR 88 Cb -0.59 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 3pva s THR 88 CO 0.41 0.40 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.23 3pva s TYR 89 N 1.02 2.51 0.82 4.92 2.02 -1.26 -4.60 117.35 122.78 3pva s TYR 89 Ca -0.07 -0.29 -0.12 0.00 -0.37 0.00 0.00 57.07 56.22 3pva s TYR 89 Cb -0.15 -1.51 0.08 0.00 -0.40 0.00 0.00 41.96 39.98 3pva s TYR 89 CO -0.01 0.14 1.13 0.00 -1.57 0.00 0.00 175.55 175.24 3pva s ALA 90 N -0.77 2.34 -0.07 3.71 0.00 -0.94 -4.46 121.76 121.57 3pva s ALA 90 Ca 0.12 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 3pva s ALA 90 Cb -0.10 -3.03 -0.29 0.00 0.00 0.00 0.00 23.12 19.69 3pva s ALA 90 CO 0.02 -1.76 0.60 -0.44 0.00 0.00 0.00 175.76 174.17 3pva h ASP 91 N -1.12 0.56 -4.14 0.00 3.32 -1.96 -0.99 116.42 112.09 3pva h ASP 91 Ca -0.47 -0.93 -0.48 0.00 0.02 0.00 0.00 57.03 55.16 3pva h ASP 91 Cb 1.30 -0.18 -0.20 0.00 0.22 0.00 0.00 39.33 40.47 3pva h ASP 91 CO 0.63 1.79 -0.79 -1.61 -1.72 0.00 0.00 179.24 177.53 3pva s GLU 92 N -2.56 1.04 0.63 3.56 0.41 -1.26 -4.76 118.70 115.76 3pva s GLU 92 Ca -0.18 -1.16 -0.18 0.00 -0.41 0.00 0.00 54.97 53.04 3pva s GLU 92 Cb 0.05 -1.11 -0.02 0.00 -1.78 0.00 0.00 34.13 31.27 3pva s GLU 92 CO 0.83 0.24 1.24 -2.30 -0.49 0.00 0.00 175.26 174.77 3pva n PRO 93 N 0.88 1.12 -1.78 0.39 -0.02 -1.26 -4.97 135.00 129.37 3pva n PRO 93 Ca -0.18 0.44 -0.33 0.00 -2.02 0.00 0.00 63.50 61.40 3pva n PRO 93 Cb 0.55 -2.47 0.05 0.00 -0.02 0.00 0.00 33.50 31.61 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 -3.22 2.82 -0.29 -0.52 -0.14 -1.26 -4.86 119.74 112.27 3pva s LYS 94 Ca 0.81 1.41 -0.40 0.00 -1.36 0.00 0.00 55.97 56.42 3pva s LYS 94 Cb -0.39 -1.95 -0.16 0.00 -1.68 0.00 0.00 37.83 33.65 3pva s LYS 94 CO 0.42 -1.24 1.75 0.36 -0.76 0.00 0.00 175.35 175.89 3pva n LYS 95 N -2.36 1.13 0.00 1.68 0.00 -1.26 -2.12 118.16 115.23 3pva n LYS 95 Ca 0.10 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.83 3pva n LYS 95 Cb 0.52 -2.10 0.00 0.00 -0.00 0.00 0.00 35.03 33.45 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 4.24 2.94 3.67 2.58 0.00 -1.26 -5.05 105.19 112.32 3pva n GLY 96 Ca 0.27 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 2.50 0.11 2.61 -4.23 -0.90 -5.01 115.64 110.71 3pva s THR 97 Ca 0.00 0.16 0.05 0.00 -1.18 0.00 0.00 61.69 60.72 3pva s THR 97 Cb 0.00 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 3pva s THR 97 CO 0.00 -0.21 0.05 -0.89 -0.54 0.00 0.00 174.62 173.03 3pva s THR 98 N -2.78 4.25 0.43 3.99 2.01 -0.18 -4.66 115.64 118.70 3pva s THR 98 Ca 0.65 -0.98 -0.21 0.00 0.31 0.00 0.00 61.69 61.46 3pva s THR 98 Cb -0.20 -3.07 -0.11 0.00 0.01 0.00 0.00 72.50 69.13 3pva s THR 98 CO 0.58 0.05 0.95 -0.83 -0.69 0.00 0.00 174.62 174.69 3pva s GLY 99 N -2.56 2.39 -0.01 4.40 0.00 -1.26 -0.78 107.32 109.50 3pva s GLY 99 Ca 0.28 0.39 0.01 0.00 0.00 0.00 0.00 44.72 45.41 3pva s GLY 99 CO 0.21 0.67 -0.04 -1.50 0.00 0.00 0.00 173.10 172.44 3pva s ILE 100 N -2.18 0.37 0.08 0.90 2.07 0.32 -4.49 121.20 118.26 3pva s ILE 100 Ca 0.62 -0.17 -0.31 0.00 -1.41 0.00 0.00 60.65 59.38 3pva s ILE 100 Cb -0.09 -0.33 -0.06 0.00 0.13 0.00 0.00 42.46 42.11 3pva s ILE 100 CO 0.13 0.12 1.21 0.21 -1.91 0.00 0.00 174.94 174.70 3pva s ASN 101 N 0.06 7.07 0.53 4.50 3.84 0.06 -1.26 114.94 129.74 3pva s ASN 101 Ca -0.00 2.05 0.30 0.00 0.21 0.00 0.00 52.86 55.42 3pva s ASN 101 Cb -0.04 -2.58 1.45 0.00 -0.55 0.00 0.00 41.25 39.53 3pva s ASN 101 CO -0.00 -0.47 1.91 -0.65 -2.79 0.00 0.00 177.10 175.10 3pva h PRO 102 N 6.65 0.02 0.00 0.43 0.11 -1.87 0.24 132.00 137.58 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 0.81 0.01 0.00 0.28 -0.21 0.00 0.00 178.00 178.89 3pva n VAL 103 N -4.30 0.75 0.62 3.15 0.31 -1.26 -3.13 118.33 114.47 3pva n VAL 103 Ca 0.17 0.09 0.08 0.00 -0.01 0.00 0.00 64.34 64.67 3pva n VAL 103 Cb 0.89 -0.98 0.07 0.00 -0.91 0.00 0.00 33.84 32.91 3pva n VAL 103 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3pva n TYR 104 N -2.17 0.03 -0.10 3.52 4.01 0.84 -4.54 117.16 118.75 3pva n TYR 104 Ca 0.03 -0.02 -0.06 0.00 -0.16 0.00 0.00 57.90 57.69 3pva n TYR 104 Cb 0.28 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.32 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 3.10 0.79 -0.26 -0.72 2.07 -1.57 -1.69 116.25 117.97 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 0.67 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3pva h VAL 105 CO 0.00 0.03 0.07 0.40 0.02 0.00 0.00 177.57 178.09 3pva h ILE 106 N 0.15 1.20 -0.46 4.57 1.08 -1.82 0.67 117.51 122.90 3pva h ILE 106 Ca 0.16 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 3pva h ILE 106 Cb 0.20 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 3pva h ILE 106 CO -0.24 0.22 0.29 0.28 -0.69 0.00 0.00 178.15 178.01 3pva h SER 107 N 0.25 0.54 -0.34 1.72 0.02 -1.77 0.18 113.55 114.15 3pva h SER 107 Ca 0.08 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3pva h SER 107 Cb 0.26 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3pva h SER 107 CO -0.00 0.41 0.16 1.56 -1.14 0.00 0.00 176.83 177.82 3pva h GLN 108 N 0.62 0.49 -0.24 3.45 1.08 -1.19 -0.78 115.11 118.53 3pva h GLN 108 Ca 0.17 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.24 3pva h GLN 108 Cb -0.05 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 3pva h GLN 108 CO -0.03 0.44 -0.08 0.28 -0.95 0.00 0.00 178.83 178.49 3pva h VAL 109 N 0.41 1.29 -0.41 -0.54 2.07 -0.46 -2.64 116.25 115.97 3pva h VAL 109 Ca 0.12 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 3pva h VAL 109 Cb 0.12 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3pva h VAL 109 CO -0.01 0.35 -0.04 -0.07 0.02 0.00 0.00 177.57 177.81 3pva h LEU 110 N 0.22 0.66 -0.69 2.57 4.07 -0.67 -0.31 115.31 121.16 3pva h LEU 110 Ca 0.06 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.86 3pva h LEU 110 Cb 0.56 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.13 3pva h LEU 110 CO 0.03 0.76 0.00 1.23 -1.08 0.00 0.00 178.44 179.38 3pva h GLY 111 N 0.95 0.00 0.00 0.83 0.00 -1.04 -3.38 103.07 100.42 3pva h GLY 111 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3pva h GLY 111 CO 0.02 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.26 3pva n ASN 112 N -2.61 0.18 -4.56 0.19 3.02 -0.85 0.01 115.26 110.63 3pva n ASN 112 Ca 0.03 -0.59 -0.24 0.00 -0.03 0.00 0.00 54.58 53.75 3pva n ASN 112 Cb 0.33 0.17 -0.09 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.77 0.70 -3.46 0.00 0.31 -1.26 -4.77 118.33 109.08 3pva n VAL 114 Ca -0.05 -0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 64.03 3pva n VAL 114 Cb 0.60 -1.68 -0.01 0.00 -0.91 0.00 0.00 33.84 31.85 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 -2.21 2.43 0.31 2.52 -4.23 -1.26 -4.27 115.64 108.93 3pva s THR 115 Ca -0.13 -1.27 0.02 0.00 -1.18 0.00 0.00 61.69 59.14 3pva s THR 115 Cb 0.04 -2.69 0.13 0.00 1.34 0.00 0.00 72.50 71.32 3pva s THR 115 CO 0.17 0.00 1.82 -0.37 -0.54 0.00 0.00 174.62 175.70 3pva h VAL 116 N 0.78 1.22 -0.62 2.29 -1.51 -1.95 -1.96 116.25 114.50 3pva h VAL 116 Ca -0.38 -0.91 -0.03 0.00 -1.23 0.00 0.00 66.70 64.15 3pva h VAL 116 Cb 1.28 0.97 -0.03 0.00 -2.13 0.00 0.00 31.29 31.38 3pva h VAL 116 CO 0.53 0.31 0.28 0.44 -1.23 0.00 0.00 177.57 177.90 3pva h ASP 117 N 0.57 0.82 -0.77 4.19 3.32 -1.98 -1.23 116.42 121.32 3pva h ASP 117 Ca 0.11 -0.14 0.10 0.00 0.02 0.00 0.00 57.03 57.13 3pva h ASP 117 Cb 0.41 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 39.67 3pva h ASP 117 CO 0.02 0.73 0.40 0.44 -1.72 0.00 0.00 179.24 179.11 3pva h ASP 118 N 0.85 0.53 0.03 6.45 3.32 -1.74 -0.07 116.42 125.79 3pva h ASP 118 Ca 0.21 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 3pva h ASP 118 Cb 0.14 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3pva h ASP 118 CO -0.02 0.29 -0.01 0.58 -1.72 0.00 0.00 179.24 178.35 3pva h VAL 119 N 0.66 0.99 -0.54 -1.35 2.07 -1.11 0.17 116.25 117.14 3pva h VAL 119 Ca 0.39 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.90 3pva h VAL 119 Cb 0.42 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3pva h VAL 119 CO -0.28 0.01 0.33 0.40 0.02 0.00 0.00 177.57 178.05 3pva h ILE 120 N -0.05 1.07 0.27 4.57 2.04 -0.58 -2.67 117.51 122.16 3pva h ILE 120 Ca -0.00 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3pva h ILE 120 Cb 0.04 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3pva h ILE 120 CO 0.01 0.12 -0.13 -0.08 0.00 0.00 0.00 178.15 178.07 3pva h GLU 121 N 0.66 -0.35 -0.77 2.37 4.81 -0.84 -3.15 114.58 117.31 3pva h GLU 121 Ca 0.21 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.60 3pva h GLU 121 Cb 0.01 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 3pva h GLU 121 CO -0.09 -0.18 0.51 0.87 -0.73 0.00 0.00 179.01 179.39 3pva h LYS 122 N -0.44 0.51 0.00 1.92 1.79 -0.50 -2.23 116.57 117.62 3pva h LYS 122 Ca -0.04 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3pva h LYS 122 Cb 0.33 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3pva h LYS 122 CO 0.06 0.34 0.00 1.28 -1.08 0.00 0.00 179.45 180.05 3pva n LEU 123 N -4.50 0.14 0.26 2.94 4.32 -1.02 -3.36 117.00 115.78 3pva n LEU 123 Ca 0.14 0.52 0.17 0.00 -0.02 0.00 0.00 56.01 56.82 3pva n LEU 123 Cb 0.46 -0.49 0.64 0.00 -1.62 0.00 0.00 43.42 42.42 3pva n LEU 123 CO 0.32 -0.16 0.97 0.71 -1.22 0.00 0.00 177.39 178.01 3pva h THR 124 N 0.00 0.00 -0.63 -5.08 1.35 -1.46 -2.65 112.91 104.44 3pva h THR 124 Ca 0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3pva h THR 124 Cb 0.42 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 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 -3.01 3.70 -4.37 5.36 3.41 -1.21 -4.84 113.62 112.65 3pva n SER 125 Ca 0.01 -1.99 -0.19 0.00 -0.26 0.00 0.00 58.87 56.43 3pva n SER 125 Cb 0.31 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.16 1.81 -0.08 7.33 2.02 -1.00 -1.01 117.35 125.26 3pva s TYR 126 Ca 0.45 -0.55 -0.02 0.00 -0.37 0.00 0.00 57.07 56.59 3pva s TYR 126 Cb 0.24 -0.85 0.03 0.00 -0.40 0.00 0.00 41.96 40.99 3pva s TYR 126 CO 0.32 0.40 0.01 0.99 -1.57 0.00 0.00 175.55 175.70 3pva s THR 127 N -2.91 0.37 -0.02 -0.71 2.01 0.04 -4.81 115.64 109.60 3pva s THR 127 Ca 0.24 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 3pva s THR 127 Cb -0.01 -0.56 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 3pva s THR 127 CO 0.08 0.22 1.46 -0.76 -0.69 0.00 0.00 174.62 174.93 3pva s LEU 128 N 1.97 4.31 0.20 4.42 1.02 -1.26 -0.53 118.68 128.81 3pva s LEU 128 Ca 0.05 2.12 0.07 0.00 0.02 0.00 0.00 54.13 56.39 3pva s LEU 128 Cb -0.13 -3.55 -0.04 0.00 0.02 0.00 0.00 46.19 42.49 3pva s LEU 128 CO -0.05 -0.78 0.04 -0.76 0.02 0.00 0.00 176.35 174.82 3pva s LEU 129 N 2.86 3.42 -1.32 1.79 1.43 -0.39 -2.22 118.68 124.25 3pva s LEU 129 Ca 0.66 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.29 3pva s LEU 129 Cb -0.31 -2.03 -0.07 0.00 0.03 0.00 0.00 46.19 43.80 3pva s LEU 129 CO 0.26 0.05 2.59 -3.20 0.23 0.00 0.00 176.35 176.29 3pva n ASN 130 N -0.43 7.05 -4.69 2.29 2.85 -0.38 -4.33 115.26 117.63 3pva n ASN 130 Ca -0.09 -2.47 -0.36 0.00 -0.11 0.00 0.00 54.58 51.55 3pva n ASN 130 Cb 0.56 -1.37 -0.09 0.00 1.24 0.00 0.00 39.78 40.13 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 2.73 4.13 0.83 1.20 2.12 -1.26 -4.91 118.70 123.54 3pva s GLU 131 Ca 0.57 -0.21 -0.14 0.00 0.36 0.00 0.00 54.97 55.55 3pva s GLU 131 Cb 0.15 -3.49 0.19 0.00 0.26 0.00 0.00 34.13 31.24 3pva s GLU 131 CO -0.05 0.16 1.12 0.00 -0.54 0.00 0.00 175.26 175.95 3pva n ALA 132 N 3.96 -1.33 -3.12 6.30 0.00 -1.26 -4.24 120.51 120.81 3pva n ALA 132 Ca -0.15 -1.46 -0.12 0.00 0.00 0.00 0.00 53.44 51.72 3pva n ALA 132 Cb 0.52 -0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 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 -5.07 -0.02 0.00 0.00 4.22 -1.24 -4.85 114.94 107.97 3pva s ASN 133 Ca 0.63 -0.15 0.16 0.00 -2.14 0.00 0.00 52.86 51.36 3pva s ASN 133 Cb -0.02 0.24 0.79 0.00 1.28 0.00 0.00 41.25 43.54 3pva s ASN 133 CO 0.45 -0.40 1.47 2.30 -2.04 0.00 0.00 177.10 178.87 3pva n ILE 134 N 1.34 0.60 -0.07 0.54 -5.35 -1.26 -0.39 119.36 114.76 3pva n ILE 134 Ca -0.22 0.15 -0.16 0.00 -0.27 0.00 0.00 62.75 62.25 3pva n ILE 134 Cb 0.56 -0.88 -0.13 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 1.62 0.00 7.28 1.08 -1.95 -3.39 117.51 122.15 3pva h ILE 135 Ca 0.00 -2.32 -0.22 0.00 -0.39 0.00 0.00 64.86 61.93 3pva h ILE 135 Cb 0.17 3.16 -0.04 0.00 -3.07 0.00 0.00 36.82 37.04 3pva h ILE 135 CO 0.00 0.55 -2.00 0.18 -0.69 0.00 0.00 178.15 176.20 3pva n LEU 136 N -4.57 0.27 0.00 1.44 4.32 -1.21 -4.98 117.00 112.28 3pva n LEU 136 Ca -0.14 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 3pva n LEU 136 Cb 0.53 0.25 0.00 0.00 -1.62 0.00 0.00 43.42 42.57 3pva n LEU 136 CO 0.31 0.28 0.00 0.61 -1.22 0.00 0.00 177.39 177.37 3pva n GLY 137 N 1.52 0.79 3.58 -0.72 0.00 0.47 -5.00 105.19 105.83 3pva n GLY 137 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.69 0.39 -0.37 1.61 -0.12 -1.24 -4.69 117.98 110.87 3pva s PHE 138 Ca 0.00 -0.75 -0.21 0.00 -0.05 0.00 0.00 56.93 55.92 3pva s PHE 138 Cb 0.00 0.17 0.01 0.00 -0.63 0.00 0.00 43.02 42.57 3pva s PHE 138 CO 0.00 -0.99 0.69 0.00 -0.05 0.00 0.00 175.22 174.87 3pva s ALA 139 N -4.00 3.43 0.39 1.99 0.00 -1.26 -3.70 121.76 118.61 3pva s ALA 139 Ca 0.23 -0.81 -0.27 0.00 0.00 0.00 0.00 51.96 51.10 3pva s ALA 139 Cb -0.01 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 3pva s ALA 139 CO 0.09 -1.45 1.36 -1.25 0.00 0.00 0.00 175.76 174.52 3pva s PRO 140 N 2.88 4.06 -0.20 0.00 0.04 -1.26 -4.96 135.00 135.56 3pva s PRO 140 Ca 0.27 2.31 -0.29 0.00 0.04 0.00 0.00 61.00 63.32 3pva s PRO 140 Cb -0.14 -2.88 -0.02 0.00 0.04 0.00 0.00 34.50 31.51 3pva s PRO 140 CO 0.16 -0.47 1.44 -1.25 0.04 0.00 0.00 177.00 176.92 3pva s PRO 141 N -2.12 4.00 0.08 0.56 0.04 -1.26 -4.94 135.00 131.37 3pva s PRO 141 Ca 0.54 1.63 0.02 0.00 0.04 0.00 0.00 61.00 63.23 3pva s PRO 141 Cb -0.41 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.18 3pva s PRO 141 CO 0.54 -1.02 -0.06 -0.51 0.04 0.00 0.00 177.00 175.99 3pva s LEU 142 N 4.34 2.45 0.21 -3.56 1.02 -1.26 -0.86 118.68 121.03 3pva s LEU 142 Ca 0.63 -0.91 0.03 0.00 0.02 0.00 0.00 54.13 53.90 3pva s LEU 142 Cb -0.23 -0.06 -0.05 0.00 0.02 0.00 0.00 46.19 45.87 3pva s LEU 142 CO 0.24 -0.42 0.01 -1.38 0.02 0.00 0.00 176.35 174.81 3pva s HIS 143 N -3.17 1.42 0.07 0.29 -3.43 0.27 -4.47 115.29 106.27 3pva s HIS 143 Ca 0.07 -0.99 0.05 0.00 -0.80 0.00 0.00 55.06 53.38 3pva s HIS 143 Cb 0.02 -0.82 -0.03 0.00 -1.43 0.00 0.00 32.58 30.32 3pva s HIS 143 CO -0.04 -0.14 -0.13 0.71 -2.00 0.00 0.00 174.74 173.13 3pva s TYR 144 N -3.56 1.16 -0.01 0.38 1.51 -0.37 -1.59 117.35 114.88 3pva s TYR 144 Ca 0.28 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 3pva s TYR 144 Cb 0.06 -0.65 -0.00 0.00 -0.11 0.00 0.00 41.96 41.26 3pva s TYR 144 CO 0.07 0.05 -0.05 -0.08 -1.11 0.00 0.00 175.55 174.43 3pva s THR 145 N -1.45 0.45 0.01 -0.71 -1.32 -0.99 -1.00 115.64 110.63 3pva s THR 145 Ca -0.01 -0.22 0.01 0.00 -1.21 0.00 0.00 61.69 60.25 3pva s THR 145 Cb -0.09 -0.39 -0.01 0.00 -1.51 0.00 0.00 72.50 70.50 3pva s THR 145 CO 0.02 0.14 -0.03 -0.36 -2.21 0.00 0.00 174.62 172.17 3pva s PHE 146 N -0.00 0.28 -0.05 9.09 0.08 -1.07 -1.57 117.98 124.74 3pva s PHE 146 Ca 0.01 -0.21 -0.01 0.00 0.12 0.00 0.00 56.93 56.84 3pva s PHE 146 Cb -0.04 -0.18 0.03 0.00 -0.57 0.00 0.00 43.02 42.26 3pva s PHE 146 CO -0.00 -0.05 0.03 0.99 -0.10 0.00 0.00 175.22 176.08 3pva s THR 147 N -0.54 0.09 1.04 0.64 2.01 0.15 -1.39 115.64 117.63 3pva s THR 147 Ca -0.04 0.25 -0.11 0.00 0.31 0.00 0.00 61.69 62.10 3pva s THR 147 Cb -0.04 -0.28 0.21 0.00 0.01 0.00 0.00 72.50 72.40 3pva s THR 147 CO -0.00 0.19 1.09 0.47 -0.69 0.00 0.00 174.62 175.67 3pva n ASP 148 N 4.94 -0.62 0.09 3.53 8.00 -0.68 0.70 116.55 132.50 3pva n ASP 148 Ca -0.11 0.15 0.02 0.00 0.71 0.00 0.00 54.79 55.57 3pva n ASP 148 Cb 0.50 -1.38 0.39 0.00 -0.02 0.00 0.00 41.12 40.61 3pva n ASP 148 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3pva h ALA 149 N -2.27 1.53 0.00 2.24 0.00 -1.80 -0.55 119.26 118.41 3pva h ALA 149 Ca -0.52 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3pva h ALA 149 Cb 1.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3pva h ALA 149 CO 0.45 0.34 0.00 0.66 0.00 0.00 0.00 179.25 180.69 3pva h SER 150 N 0.31 0.00 0.00 0.00 4.64 -1.93 -3.41 113.55 113.16 3pva h SER 150 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3pva h SER 150 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3pva h SER 150 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3pva n GLY 151 N -0.22 0.57 3.72 -0.77 0.00 -0.22 -5.04 105.19 103.23 3pva n GLY 151 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.94 4.61 0.05 1.61 2.12 -1.26 -4.84 118.70 120.04 3pva s GLU 152 Ca 0.00 1.49 0.09 0.00 0.36 0.00 0.00 54.97 56.91 3pva s GLU 152 Cb 0.00 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 3pva s GLU 152 CO 0.00 0.04 -0.25 -1.12 -0.54 0.00 0.00 175.26 173.40 3pva s SER 153 N 0.53 3.30 0.28 -1.70 0.01 -1.26 -1.69 113.70 113.16 3pva s SER 153 Ca 0.50 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 57.22 3pva s SER 153 Cb -0.23 -0.35 -0.05 0.00 0.21 0.00 0.00 66.02 65.59 3pva s SER 153 CO 0.29 0.26 0.10 0.27 0.41 0.00 0.00 173.24 174.57 3pva s ILE 154 N -0.84 0.67 -0.03 1.44 -4.36 -0.49 -2.08 121.20 115.51 3pva s ILE 154 Ca 0.12 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.51 3pva s ILE 154 Cb -0.10 -2.65 0.03 0.00 1.25 0.00 0.00 42.46 40.99 3pva s ILE 154 CO 0.03 0.00 0.03 -0.69 0.24 0.00 0.00 174.94 174.55 3pva s VAL 155 N -3.63 0.00 -0.19 8.37 1.01 -0.87 -2.60 120.40 122.49 3pva s VAL 155 Ca 0.37 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 3pva s VAL 155 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.28 3pva s VAL 155 CO 0.14 0.14 -0.11 -0.63 0.00 0.00 0.00 175.10 174.64 3pva s ILE 156 N 1.49 2.85 -0.19 2.22 1.01 -0.17 -0.79 121.20 127.61 3pva s ILE 156 Ca -0.04 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3pva s ILE 156 Cb -0.13 -2.25 0.03 0.00 0.01 0.00 0.00 42.46 40.12 3pva s ILE 156 CO -0.03 0.48 -0.18 -1.61 0.00 0.00 0.00 174.94 173.60 3pva s GLU 157 N 1.25 2.85 -1.24 2.79 2.02 0.31 -1.23 118.70 125.45 3pva s GLU 157 Ca 0.03 -0.91 -0.20 0.00 0.02 0.00 0.00 54.97 53.91 3pva s GLU 157 Cb -0.14 -2.61 0.02 0.00 0.10 0.00 0.00 34.13 31.50 3pva s GLU 157 CO -0.05 -0.27 1.78 -1.25 0.02 0.00 0.00 175.26 175.49 3pva s PRO 158 N 1.26 3.50 0.80 0.39 0.04 -1.26 0.48 135.00 140.21 3pva s PRO 158 Ca 0.03 -1.67 -0.10 0.00 0.04 0.00 0.00 61.00 59.30 3pva s PRO 158 Cb -0.14 -5.43 0.11 0.00 0.04 0.00 0.00 34.50 29.07 3pva s PRO 158 CO -0.12 -2.78 1.14 -0.51 0.04 0.00 0.00 177.00 174.77 3pva s ASP 159 N 5.01 4.25 0.23 6.66 1.01 -0.51 0.22 116.67 133.54 3pva s ASP 159 Ca 0.58 0.41 -0.07 0.00 0.71 0.00 0.00 52.55 54.18 3pva s ASP 159 Cb 0.02 -0.84 0.30 0.00 1.01 0.00 0.00 42.92 43.41 3pva s ASP 159 CO 0.08 -2.00 1.82 0.50 0.21 0.00 0.00 175.17 175.79 3pva h LYS 160 N -0.98 0.77 -0.04 8.23 3.64 -1.89 -0.15 116.57 126.14 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 1.29 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3pva h LYS 160 CO 0.54 0.51 0.00 0.25 -2.27 0.00 0.00 179.45 178.48 3pva n THR 161 N -4.73 0.06 0.00 1.00 -2.24 -1.26 -5.02 114.28 102.09 3pva n THR 161 Ca 0.11 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3pva n THR 161 Cb 0.20 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 0.62 0.91 3.68 3.38 0.00 -0.07 -4.99 105.19 108.72 3pva n GLY 162 Ca 0.04 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 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 -1.10 3.05 -0.17 -0.61 -1.09 -1.26 -1.43 121.20 118.60 3pva s ILE 163 Ca 0.00 0.45 -0.06 0.00 -2.23 0.00 0.00 60.65 58.80 3pva s ILE 163 Cb 0.00 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.55 3pva s ILE 163 CO 0.00 -0.01 0.04 -0.89 -1.23 0.00 0.00 174.94 172.85 3pva s THR 164 N 2.90 4.61 -0.13 2.92 2.01 0.18 -4.91 115.64 123.22 3pva s THR 164 Ca 0.75 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.63 3pva s THR 164 Cb -0.40 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 3pva s THR 164 CO 0.33 0.48 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.06 3pva s ILE 165 N 0.29 3.81 -0.25 1.82 -1.09 -1.26 -0.53 121.20 123.98 3pva s ILE 165 Ca 0.02 -0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.03 3pva s ILE 165 Cb -0.13 -2.64 0.03 0.00 -1.58 0.00 0.00 42.46 38.14 3pva s ILE 165 CO 0.01 0.52 -0.06 -1.00 -1.23 0.00 0.00 174.94 173.18 3pva s HIS 166 N 0.07 3.09 0.06 3.97 3.76 0.03 -4.99 115.29 121.28 3pva s HIS 166 Ca -0.01 -1.62 -0.11 0.00 -0.15 0.00 0.00 55.06 53.18 3pva s HIS 166 Cb -0.14 -2.06 -0.06 0.00 1.11 0.00 0.00 32.58 31.44 3pva s HIS 166 CO 0.03 -0.74 0.40 1.03 -0.85 0.00 0.00 174.74 174.61 3pva s ARG 167 N 1.31 3.79 -0.38 1.40 0.52 -1.26 -2.05 118.95 122.28 3pva s ARG 167 Ca -0.01 0.23 -0.13 0.00 -0.52 0.00 0.00 55.73 55.30 3pva s ARG 167 Cb -0.17 -3.04 0.02 0.00 0.52 0.00 0.00 34.95 32.27 3pva s ARG 167 CO -0.04 0.59 0.39 0.36 0.02 0.00 0.00 175.30 176.61 3pva n LYS 168 N 1.11 -1.07 -1.58 3.54 2.85 -0.88 -4.97 118.16 117.17 3pva n LYS 168 Ca -0.09 0.67 -0.14 0.00 -1.05 0.00 0.00 58.31 57.70 3pva n LYS 168 Cb 0.52 -1.27 0.08 0.00 -0.65 0.00 0.00 35.03 33.71 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 -0.89 0.00 1.40 0.58 -2.24 -1.08 -4.98 114.28 107.07 3pva n THR 169 Ca -0.12 -0.82 0.13 0.00 -2.27 0.00 0.00 64.05 60.98 3pva n THR 169 Cb 0.42 -1.24 0.71 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.39 0.10 -2.33 2.28 -5.35 -1.26 -4.76 119.36 105.65 3pva n ILE 170 Ca 0.09 0.03 -0.01 0.00 -0.27 0.00 0.00 62.75 62.59 3pva n ILE 170 Cb 0.33 -0.59 0.00 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 0.90 0.67 2.90 3.28 0.00 -1.26 -4.89 105.19 106.78 3pva n GLY 171 Ca 0.15 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.61 0.21 -0.28 1.61 1.01 -1.26 -1.32 120.40 117.75 3pva s VAL 172 Ca 0.01 -0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 3pva s VAL 172 Cb -0.01 -0.21 0.08 0.00 0.00 0.00 0.00 36.38 36.25 3pva s VAL 172 CO 0.02 0.08 0.68 -0.32 0.00 0.00 0.00 175.10 175.56 3pva s MET 173 N 0.17 0.70 0.00 2.72 1.75 0.12 -4.96 119.30 119.80 3pva s MET 173 Ca -0.01 1.21 0.00 0.00 -1.25 0.00 0.00 55.69 55.63 3pva s MET 173 Cb -0.04 0.15 0.00 0.00 2.84 0.00 0.00 34.83 37.78 3pva s MET 173 CO -0.00 -0.15 0.00 0.25 -0.65 0.00 0.00 175.02 174.47 3pva n THR 174 N 4.25 0.00 -2.11 10.11 -2.24 -1.26 0.25 114.28 123.28 3pva n THR 174 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3pva n THR 174 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.43 -4.71 3.42 4.13 -1.25 -4.71 115.26 112.57 3pva n ASN 175 Ca 0.00 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.95 3pva n ASN 175 Cb 0.00 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 38.38 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 0.71 3.52 0.00 6.41 0.01 -1.26 -4.75 113.70 118.33 3pva s SER 176 Ca 0.00 1.95 0.00 0.00 1.31 0.00 0.00 55.95 59.21 3pva s SER 176 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 3pva s SER 176 CO 0.00 -2.69 0.00 -0.81 0.41 0.00 0.00 173.24 170.15 3pva n PRO 177 N -3.95 2.43 -1.42 12.44 -0.04 -1.26 -4.38 135.00 138.82 3pva n PRO 177 Ca 0.10 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.22 3pva n PRO 177 Cb 0.53 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.08 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 -0.24 2.25 0.19 0.55 0.00 -1.26 -4.85 107.32 103.95 3pva s GLY 178 Ca 0.00 0.79 -0.12 0.00 0.00 0.00 0.00 44.72 45.39 3pva s GLY 178 CO 0.00 1.19 1.78 -1.82 0.00 0.00 0.00 173.10 174.25 3pva h TYR 179 N -0.40 0.47 -0.99 1.90 3.20 -1.99 -1.17 116.97 118.00 3pva h TYR 179 Ca -0.47 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.46 3pva h TYR 179 Cb 1.28 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 39.36 3pva h TYR 179 CO 0.49 0.21 0.64 1.49 -1.64 0.00 0.00 178.16 179.35 3pva h GLU 180 N 0.50 1.20 -0.21 1.82 4.81 -1.99 -1.06 114.58 119.65 3pva h GLU 180 Ca 0.25 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 3pva h GLU 180 Cb 0.19 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3pva h GLU 180 CO -0.19 0.80 0.03 2.35 -0.73 0.00 0.00 179.01 181.27 3pva h TRP 181 N 1.24 0.05 -0.38 0.92 7.01 -1.58 -1.54 115.95 121.66 3pva h TRP 181 Ca 0.40 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.42 3pva h TRP 181 Cb 0.02 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 3pva h TRP 181 CO -0.00 0.01 0.24 0.45 -2.79 0.00 0.00 178.44 176.34 3pva h HIS 182 N 0.11 0.45 -0.64 2.65 3.86 -1.23 0.29 115.15 120.63 3pva h HIS 182 Ca 0.09 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 3pva h HIS 182 Cb 0.10 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 3pva h HIS 182 CO -0.15 0.27 0.15 0.37 0.86 0.00 0.00 177.93 179.43 3pva h GLN 183 N 0.49 1.01 -0.53 2.45 4.15 -0.92 -1.39 115.11 120.36 3pva h GLN 183 Ca 0.15 -0.23 -0.10 0.00 0.77 0.00 0.00 58.65 59.24 3pva h GLN 183 Cb -0.02 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 3pva h GLN 183 CO -0.05 0.90 -0.06 1.15 -1.93 0.00 0.00 178.83 178.84 3pva h THR 184 N 0.96 1.27 -0.83 2.39 2.02 -1.10 -2.96 112.91 114.66 3pva h THR 184 Ca 0.20 -1.19 0.14 0.00 0.77 0.00 0.00 66.41 66.33 3pva h THR 184 Cb 0.34 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 3pva h THR 184 CO 0.00 0.42 0.54 -1.13 0.37 0.00 0.00 175.52 175.72 3pva h ASN 185 N 0.85 0.56 -1.00 4.18 -0.00 0.14 -2.21 115.58 118.10 3pva h ASN 185 Ca 0.14 0.03 0.22 0.00 -0.00 0.00 0.00 56.30 56.70 3pva h ASN 185 Cb 0.61 -0.08 -0.12 0.00 -0.00 0.00 0.00 38.32 38.73 3pva h ASN 185 CO 0.04 0.29 0.59 -0.07 -0.00 0.00 0.00 177.43 178.27 3pva h LEU 186 N 0.59 0.69 -1.71 0.34 3.38 -1.23 -1.79 115.31 115.60 3pva h LEU 186 Ca 0.41 0.12 0.21 0.00 0.09 0.00 0.00 57.88 58.72 3pva h LEU 186 Cb 0.74 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 3pva h LEU 186 CO -0.17 0.16 0.58 0.03 0.09 0.00 0.00 178.44 179.14 3pva h ARG 187 N 0.64 0.24 0.00 1.13 3.08 -1.56 -0.89 114.38 117.02 3pva h ARG 187 Ca 0.62 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.65 3pva h ARG 187 Cb 1.10 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3pva h ARG 187 CO -0.45 0.16 0.00 0.00 -1.07 0.00 0.00 179.97 178.61 3pva n ALA 188 N -2.59 1.90 -0.88 0.04 0.00 -0.67 -3.43 120.51 114.88 3pva n ALA 188 Ca 0.18 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.69 3pva n ALA 188 Cb 0.76 -1.37 0.12 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.86 0.01 0.17 0.00 4.02 -0.35 -4.73 117.16 114.43 3pva n TYR 189 Ca 0.04 -0.91 0.03 0.00 -0.01 0.00 0.00 57.90 57.06 3pva n TYR 189 Cb 0.27 -0.13 0.16 0.00 -0.02 0.00 0.00 39.34 39.61 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 -1.26 1.59 1.47 -0.72 -5.35 -1.17 -1.41 119.36 112.50 3pva n ILE 190 Ca 0.13 0.44 0.14 0.00 -0.27 0.00 0.00 62.75 63.19 3pva n ILE 190 Cb 0.58 -1.37 0.50 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 -1.01 -0.03 3.55 3.28 0.00 -1.26 -4.71 105.19 105.01 3pva n GLY 191 Ca 0.01 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.04 3.83 0.34 1.61 1.01 -0.50 -4.78 120.40 119.87 3pva s VAL 192 Ca 0.37 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.88 3pva s VAL 192 Cb 0.21 -4.85 -0.05 0.00 0.00 0.00 0.00 36.38 31.68 3pva s VAL 192 CO 0.35 -1.70 0.09 0.42 0.00 0.00 0.00 175.10 174.26 3pva s THR 193 N 5.44 0.88 0.15 3.92 -4.23 0.22 -4.90 115.64 117.12 3pva s THR 193 Ca 0.36 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.19 3pva s THR 193 Cb -0.08 -2.63 0.36 0.00 1.34 0.00 0.00 72.50 71.49 3pva s THR 193 CO 0.18 0.00 1.98 -0.65 -0.54 0.00 0.00 174.62 175.58 3pva h PRO 194 N 2.07 0.00 -6.14 3.99 0.11 -1.94 -3.11 132.00 126.98 3pva h PRO 194 Ca -0.39 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.14 3pva h PRO 194 Cb 1.25 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 3pva h PRO 194 CO 0.64 0.05 -0.12 -0.80 -0.21 0.00 0.00 178.00 177.56 3pva s ASN 195 N -5.79 6.91 0.43 -2.05 -0.87 -1.26 -4.64 114.94 107.67 3pva s ASN 195 Ca 0.00 1.09 -0.24 0.00 -1.57 0.00 0.00 52.86 52.14 3pva s ASN 195 Cb 0.10 -2.30 -0.08 0.00 -0.02 0.00 0.00 41.25 38.95 3pva s ASN 195 CO 0.56 0.27 1.22 -2.16 -2.57 0.00 0.00 177.10 174.42 3pva s PRO 196 N -1.23 3.85 0.50 -0.60 0.04 -1.26 -3.58 135.00 132.72 3pva s PRO 196 Ca 0.28 1.93 -0.22 0.00 0.04 0.00 0.00 61.00 63.03 3pva s PRO 196 Cb -0.18 -2.57 -0.06 0.00 0.04 0.00 0.00 34.50 31.73 3pva s PRO 196 CO 0.16 -0.52 1.24 -1.25 0.04 0.00 0.00 177.00 176.67 3pva s PRO 197 N -2.47 3.46 0.62 0.56 0.04 -1.26 -4.92 135.00 131.02 3pva s PRO 197 Ca 0.60 1.94 -0.18 0.00 0.04 0.00 0.00 61.00 63.41 3pva s PRO 197 Cb -0.33 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 3pva s PRO 197 CO 0.41 -0.85 1.17 -0.65 0.04 0.00 0.00 177.00 177.12 3pva s GLN 198 N -2.84 2.90 0.55 4.56 -0.21 -1.26 -4.92 119.66 118.44 3pva s GLN 198 Ca 0.68 1.67 -0.19 0.00 0.02 0.00 0.00 55.36 57.54 3pva s GLN 198 Cb -0.33 -1.94 -0.06 0.00 1.00 0.00 0.00 33.01 31.69 3pva s GLN 198 CO 0.39 -1.23 1.09 -0.51 -2.12 0.00 0.00 175.29 172.92 3pva s ASP 199 N -1.92 5.84 0.27 5.90 1.01 -1.26 -5.02 116.67 121.49 3pva s ASP 199 Ca 0.73 2.04 0.02 0.00 0.71 0.00 0.00 52.55 56.05 3pva s ASP 199 Cb -0.26 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.09 3pva s ASP 199 CO 0.35 -1.13 0.07 2.30 0.21 0.00 0.00 175.17 176.97 3pva n ILE 200 N -1.43 0.00 -4.08 0.77 -5.35 -1.10 -5.02 119.36 103.16 3pva n ILE 200 Ca 0.10 -1.50 -0.10 0.00 -0.27 0.00 0.00 62.75 60.99 3pva n ILE 200 Cb 0.52 0.48 -0.11 0.00 -1.74 0.00 0.00 39.64 38.80 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 -3.02 0.59 -0.36 6.28 -1.94 -1.26 -2.09 119.30 117.50 3pva s MET 201 Ca 0.10 -1.02 -0.00 0.00 -1.71 0.00 0.00 55.69 53.06 3pva s MET 201 Cb 0.00 -0.04 0.12 0.00 2.01 0.00 0.00 34.83 36.93 3pva s MET 201 CO 0.07 -0.04 0.18 -1.64 -0.01 0.00 0.00 175.02 173.58 3pva s MET 202 N -2.84 0.76 7.36 2.03 -1.94 -0.53 -4.96 119.30 119.18 3pva s MET 202 Ca -0.00 -1.35 0.00 0.00 -1.71 0.00 0.00 55.69 52.63 3pva s MET 202 Cb -0.01 -1.76 0.00 0.00 2.01 0.00 0.00 34.83 35.07 3pva s MET 202 CO -0.04 -1.11 0.00 0.41 -0.01 0.00 0.00 175.02 174.27 3pva n GLY 203 N 4.28 2.77 0.94 -0.03 0.00 -1.26 -1.24 105.19 110.65 3pva n GLY 203 Ca 0.05 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 9.65 2.94 -4.69 1.61 8.00 -1.26 -4.93 116.55 127.88 3pva n ASP 204 Ca 0.00 -1.97 -0.41 0.00 0.71 0.00 0.00 54.79 53.11 3pva n ASP 204 Cb 0.00 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.98 4.24 -0.11 0.64 0.20 -0.37 -5.04 118.68 116.26 3pva s LEU 205 Ca 0.29 1.30 -0.24 0.00 0.69 0.00 0.00 54.13 56.16 3pva s LEU 205 Cb 0.20 -3.30 -0.03 0.00 -0.43 0.00 0.00 46.19 42.63 3pva s LEU 205 CO 0.30 -0.34 0.75 -1.81 -0.29 0.00 0.00 176.35 174.97 3pva s ASP 206 N 1.06 6.98 -0.18 3.68 1.01 -1.26 -1.45 116.67 126.51 3pva s ASP 206 Ca 0.41 1.19 -0.01 0.00 0.71 0.00 0.00 52.55 54.85 3pva s ASP 206 Cb -0.18 -2.43 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 3pva s ASP 206 CO 0.16 -0.23 -0.13 -0.76 0.21 0.00 0.00 175.17 174.43 3pva s LEU 207 N 1.33 2.55 0.08 1.23 1.43 -0.89 -5.00 118.68 119.42 3pva s LEU 207 Ca 0.38 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3pva s LEU 207 Cb -0.17 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3pva s LEU 207 CO 0.16 0.05 -0.08 0.28 0.23 0.00 0.00 176.35 176.99 3pva s THR 208 N 1.05 0.71 0.81 5.49 -1.32 -1.26 -2.69 115.64 118.43 3pva s THR 208 Ca -0.01 -1.56 -0.14 0.00 -1.21 0.00 0.00 61.69 58.78 3pva s THR 208 Cb -0.15 -1.22 0.06 0.00 -1.51 0.00 0.00 72.50 69.68 3pva s THR 208 CO -0.03 -0.61 1.00 -2.65 -2.21 0.00 0.00 174.62 170.12 3pva n PRO 209 N 0.65 0.15 0.20 7.08 -0.02 -1.26 -4.90 135.00 136.90 3pva n PRO 209 Ca -0.17 0.12 0.04 0.00 -2.02 0.00 0.00 63.50 61.47 3pva n PRO 209 Cb 0.58 -2.27 0.42 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.89 0.02 0.00 6.00 0.04 -2.03 -3.47 116.94 116.61 3pva h PHE 210 Ca -0.46 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 3pva h PHE 210 Cb 1.31 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.45 3pva h PHE 210 CO 0.43 0.29 0.00 0.41 -0.60 0.00 0.00 178.31 178.84 3pva n GLY 211 N -0.74 -0.05 3.84 -1.45 0.00 -1.26 -5.16 105.19 100.36 3pva n GLY 211 Ca -0.02 0.54 -0.25 0.00 0.00 0.00 0.00 46.02 46.29 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 2.21 2.29 0.00 1.61 2.00 -1.26 -4.84 119.66 121.67 3pva s GLN 212 Ca 0.00 -1.91 0.00 0.00 -2.00 0.00 0.00 55.36 51.45 3pva s GLN 212 Cb 0.00 -2.07 0.00 0.00 0.80 0.00 0.00 33.01 31.74 3pva s GLN 212 CO 0.00 -0.37 0.00 0.41 -0.50 0.00 0.00 175.29 174.83 3pva n GLY 213 N -1.53 2.66 0.00 2.59 0.00 -1.26 -4.97 105.19 102.69 3pva n GLY 213 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.49 1.42 0.25 4.61 0.00 -1.26 -2.38 120.51 121.67 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 -1.09 0.61 0.00 0.00 0.00 0.00 19.45 18.98 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 0.88 0.00 1.46 0.00 0.00 -1.70 -2.58 103.07 101.13 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 -0.06 0.61 0.00 0.00 0.00 176.54 177.09 3pva n GLY 216 N -0.10 -1.25 3.74 4.60 0.00 -1.00 -0.61 105.19 110.57 3pva n GLY 216 Ca -0.00 -0.18 -0.66 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.27 1.48 0.00 0.99 7.94 -0.97 -1.46 117.00 123.71 3pva n LEU 217 Ca 0.12 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.18 3pva n LEU 217 Cb 0.28 -0.94 0.00 0.00 0.53 0.00 0.00 43.42 43.29 3pva n LEU 217 CO 0.25 -0.74 0.00 0.61 -1.11 0.00 0.00 177.39 176.39 3pva n GLY 218 N 4.05 1.48 3.73 -3.96 0.00 -1.26 -4.69 105.19 104.54 3pva n GLY 218 Ca 0.30 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 4.37 0.28 0.99 0.20 -0.54 -4.96 118.68 119.03 3pva s LEU 219 Ca 0.00 2.70 -0.29 0.00 0.69 0.00 0.00 54.13 57.23 3pva s LEU 219 Cb 0.00 -3.61 -0.09 0.00 -0.43 0.00 0.00 46.19 42.06 3pva s LEU 219 CO 0.00 -0.82 1.00 -2.16 -0.29 0.00 0.00 176.35 174.08 3pva s PRO 220 N 0.59 4.67 0.00 0.98 0.04 -1.26 -4.98 135.00 135.04 3pva s PRO 220 Ca 0.67 1.56 0.23 0.00 0.04 0.00 0.00 61.00 63.50 3pva s PRO 220 Cb -0.44 -3.09 0.14 0.00 0.04 0.00 0.00 34.50 31.14 3pva s PRO 220 CO 0.36 0.31 1.20 0.41 0.04 0.00 0.00 177.00 179.32 3pva n GLY 221 N 1.12 0.72 3.76 0.56 0.00 -1.26 -4.89 105.19 105.20 3pva n GLY 221 Ca -0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.04 3.60 -0.19 1.61 1.47 -1.26 -4.99 116.67 114.86 3pva s ASP 222 Ca 0.25 1.17 0.12 0.00 1.18 0.00 0.00 52.55 55.27 3pva s ASP 222 Cb 0.19 -1.82 0.67 0.00 -0.34 0.00 0.00 42.92 41.62 3pva s ASP 222 CO 0.35 -2.52 1.53 0.49 0.68 0.00 0.00 175.17 175.70 3pva n PHE 223 N -3.77 1.70 -0.99 2.11 3.72 -1.26 -4.32 117.46 114.65 3pva n PHE 223 Ca 0.06 -0.59 -0.31 0.00 -0.05 0.00 0.00 57.45 56.56 3pva n PHE 223 Cb 0.57 -0.43 0.13 0.00 -0.94 0.00 0.00 39.48 38.81 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 -2.42 2.61 0.21 4.37 -4.23 -1.26 -4.72 115.64 110.19 3pva s THR 224 Ca 0.45 0.21 -0.10 0.00 -1.18 0.00 0.00 61.69 61.06 3pva s THR 224 Cb 0.34 -2.45 0.14 0.00 1.34 0.00 0.00 72.50 71.86 3pva s THR 224 CO 0.13 -0.25 1.82 -0.65 -0.54 0.00 0.00 174.62 175.13 3pva h PRO 225 N -1.45 0.72 -0.13 3.99 0.11 -1.93 0.26 132.00 133.58 3pva h PRO 225 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3pva h PRO 225 Cb 1.25 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3pva h PRO 225 CO 0.46 0.48 0.04 0.66 -0.21 0.00 0.00 178.00 179.43 3pva h SER 226 N 0.75 0.18 -0.42 -2.05 4.64 -1.91 0.64 113.55 115.37 3pva h SER 226 Ca 0.28 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3pva h SER 226 Cb 0.10 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3pva h SER 226 CO -0.14 0.32 0.25 0.00 -0.87 0.00 0.00 176.83 176.39 3pva h ALA 227 N 0.86 0.54 -0.72 5.18 0.00 -1.76 -1.75 119.26 121.62 3pva h ALA 227 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3pva h ALA 227 Cb 0.20 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3pva h ALA 227 CO -0.00 0.04 0.46 0.00 0.00 0.00 0.00 179.25 179.75 3pva h ARG 228 N 0.55 0.95 -0.28 0.00 3.08 -0.36 -2.02 114.38 116.31 3pva h ARG 228 Ca 0.15 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.15 3pva h ARG 228 Cb 0.02 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3pva h ARG 228 CO -0.03 0.65 0.16 0.35 -1.07 0.00 0.00 179.97 180.03 3pva h PHE 229 N 0.98 0.30 -0.71 3.04 3.04 -0.10 -1.51 116.94 121.98 3pva h PHE 229 Ca 0.26 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.23 3pva h PHE 229 Cb -0.09 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.29 3pva h PHE 229 CO 0.00 0.18 0.47 -0.07 -2.02 0.00 0.00 178.31 176.87 3pva h LEU 230 N 0.33 0.81 -0.45 0.59 4.07 -0.84 0.74 115.31 120.56 3pva h LEU 230 Ca 0.11 -0.02 -0.11 0.00 0.08 0.00 0.00 57.88 57.94 3pva h LEU 230 Cb 0.00 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 3pva h LEU 230 CO -0.05 0.59 -0.14 0.03 -1.08 0.00 0.00 178.44 177.78 3pva h ARG 231 N 0.96 0.89 -0.37 1.13 3.08 -0.98 -0.10 114.38 119.00 3pva h ARG 231 Ca 0.26 -0.36 -0.16 0.00 0.07 0.00 0.00 59.98 59.79 3pva h ARG 231 Cb -0.11 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 3pva h ARG 231 CO -0.06 1.00 -0.41 0.28 -1.07 0.00 0.00 179.97 179.72 3pva h VAL 232 N 0.73 1.27 0.20 2.04 2.07 -1.01 -1.95 116.25 119.59 3pva h VAL 232 Ca 0.11 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 3pva h VAL 232 Cb 0.69 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3pva h VAL 232 CO 0.05 0.53 -0.10 0.00 0.02 0.00 0.00 177.57 178.07 3pva h ALA 233 N 0.75 -0.27 -0.70 1.67 0.00 -0.70 -0.16 119.26 119.85 3pva h ALA 233 Ca 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3pva h ALA 233 Cb 1.01 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3pva h ALA 233 CO 0.10 -0.45 0.46 1.88 0.00 0.00 0.00 179.25 181.25 3pva h TYR 234 N -0.68 0.88 0.00 0.00 0.05 -1.07 0.50 116.97 116.65 3pva h TYR 234 Ca -0.03 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 3pva h TYR 234 Cb 0.48 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 3pva h TYR 234 CO 0.05 0.55 -0.46 -1.49 -1.05 0.00 0.00 178.16 175.75 3pva h TRP 235 N 0.95 0.00 -0.54 4.88 -0.00 -1.43 -1.82 115.95 117.99 3pva h TRP 235 Ca 0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 59.10 3pva h TRP 235 Cb -0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.03 3pva h TRP 235 CO -0.03 0.46 0.13 -0.22 -0.00 0.00 0.00 178.44 178.79 3pva h LYS 236 N 0.00 0.87 -0.31 0.49 3.64 -0.39 -0.99 116.57 119.89 3pva h LYS 236 Ca -0.00 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.17 3pva h LYS 236 Cb 1.06 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 3pva h LYS 236 CO 0.06 0.82 0.19 -0.22 -2.27 0.00 0.00 179.45 178.03 3pva h LYS 237 N 0.77 0.37 0.00 1.90 3.64 -0.31 -3.34 116.57 119.60 3pva h LYS 237 Ca 0.17 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3pva h LYS 237 Cb 0.35 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3pva h LYS 237 CO 0.00 0.25 -1.42 0.66 -2.27 0.00 0.00 179.45 176.66 3pva n TYR 238 N -4.90 0.32 -2.50 1.91 4.01 -0.74 -4.93 117.16 110.33 3pva n TYR 238 Ca -0.01 0.09 -0.35 0.00 -0.16 0.00 0.00 57.90 57.47 3pva n TYR 238 Cb 0.04 -0.57 -0.03 0.00 -0.31 0.00 0.00 39.34 38.47 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 -3.36 3.66 0.49 -0.72 -4.23 -0.38 -4.96 115.64 106.14 3pva s THR 239 Ca -0.02 1.16 -0.22 0.00 -1.18 0.00 0.00 61.69 61.43 3pva s THR 239 Cb 0.13 -3.54 -0.09 0.00 1.34 0.00 0.00 72.50 70.34 3pva s THR 239 CO 0.85 -0.10 0.91 -0.62 -0.54 0.00 0.00 174.62 175.12 3pva n GLU 240 N -0.53 1.08 -1.77 3.99 1.02 -1.26 -4.94 120.64 118.22 3pva n GLU 240 Ca 0.07 0.40 -0.41 0.00 -0.02 0.00 0.00 57.16 57.20 3pva n GLU 240 Cb 0.51 -2.01 -0.01 0.00 -0.02 0.00 0.00 31.44 29.91 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 -2.22 4.10 0.11 3.49 -0.14 -1.26 -4.95 119.74 118.87 3pva s LYS 241 Ca 0.67 2.60 -0.30 0.00 -1.36 0.00 0.00 55.97 57.58 3pva s LYS 241 Cb -0.50 -2.98 -0.07 0.00 -1.68 0.00 0.00 37.83 32.60 3pva s LYS 241 CO 0.54 -0.59 1.18 0.00 -0.76 0.00 0.00 175.35 175.71 3pva s ALA 242 N -0.66 3.40 -0.27 5.17 0.00 -1.26 -4.92 121.76 123.22 3pva s ALA 242 Ca 0.57 0.87 0.20 0.00 0.00 0.00 0.00 51.96 53.60 3pva s ALA 242 Cb -0.47 -3.42 0.12 0.00 0.00 0.00 0.00 23.12 19.34 3pva s ALA 242 CO 0.57 -0.38 1.33 0.87 0.00 0.00 0.00 175.76 178.15 3pva h LYS 243 N 6.13 0.00 0.00 0.00 1.57 -1.92 0.56 116.57 122.91 3pva h LYS 243 Ca -0.43 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.20 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 0.78 0.19 0.05 0.27 -0.57 0.00 0.00 179.45 180.17 3pva n ASN 244 N -3.02 -1.68 -0.34 0.86 0.23 -1.26 -3.53 115.26 106.52 3pva n ASN 244 Ca 0.01 -2.62 -0.04 0.00 -0.53 0.00 0.00 54.58 51.40 3pva n ASN 244 Cb 0.64 2.93 0.09 0.00 -2.08 0.00 0.00 39.78 41.36 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 1.27 -0.33 -3.83 4.81 -1.97 -1.48 114.58 113.05 3pva h GLU 245 Ca -0.28 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 58.71 3pva h GLU 245 Cb 1.12 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 3pva h GLU 245 CO 0.37 0.92 -0.19 1.15 -0.73 0.00 0.00 179.01 180.53 3pva h THR 246 N 1.28 1.29 -1.00 0.32 2.02 -1.99 -0.76 112.91 114.07 3pva h THR 246 Ca 0.32 -1.32 0.03 0.00 0.77 0.00 0.00 66.41 66.22 3pva h THR 246 Cb 0.01 1.44 -0.06 0.00 -1.74 0.00 0.00 68.15 67.80 3pva h THR 246 CO -0.05 0.43 0.66 -0.33 0.37 0.00 0.00 175.52 176.59 3pva h GLU 247 N 0.48 1.24 -0.03 6.66 5.08 -1.95 -1.35 114.58 124.70 3pva h GLU 247 Ca 0.07 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3pva h GLU 247 Cb 0.74 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3pva h GLU 247 CO 0.05 0.82 -0.14 0.78 -1.00 0.00 0.00 179.01 179.52 3pva h GLY 248 N 1.27 -0.15 0.99 -3.84 0.00 -0.84 0.35 103.07 100.85 3pva h GLY 248 Ca 0.40 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.89 3pva h GLY 248 CO -0.12 -0.14 0.14 -2.08 0.00 0.00 0.00 176.54 174.34 3pva h VAL 249 N -0.22 1.07 -0.11 4.60 2.07 -0.55 -0.67 116.25 122.44 3pva h VAL 249 Ca 0.06 -0.15 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 3pva h VAL 249 Cb 0.29 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3pva h VAL 249 CO -0.16 0.07 -0.55 0.71 0.02 0.00 0.00 177.57 177.66 3pva h THR 250 N 0.28 1.35 -0.53 2.57 1.35 -1.01 -1.89 112.91 115.04 3pva h THR 250 Ca 0.08 -1.84 -0.03 0.00 -0.55 0.00 0.00 66.41 64.07 3pva h THR 250 Cb -0.01 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 3pva h THR 250 CO -0.02 0.55 0.20 0.78 -0.25 0.00 0.00 175.52 176.78 3pva h ASN 251 N 0.25 0.74 -0.71 5.36 -0.26 -0.24 -2.02 115.58 118.70 3pva h ASN 251 Ca 0.00 -0.18 -0.00 0.00 -0.56 0.00 0.00 56.30 55.56 3pva h ASN 251 Cb 1.04 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 38.07 3pva h ASN 251 CO 0.09 0.72 0.43 -0.07 -1.06 0.00 0.00 177.43 177.54 3pva h LEU 252 N 0.72 0.84 -1.10 1.61 3.38 -0.92 -1.66 115.31 118.18 3pva h LEU 252 Ca 0.17 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3pva h LEU 252 Cb 0.22 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3pva h LEU 252 CO -0.01 0.65 -0.04 -0.26 0.09 0.00 0.00 178.44 178.86 3pva h PHE 253 N 0.96 0.00 0.00 1.13 0.04 -1.16 -1.85 116.94 116.07 3pva h PHE 253 Ca 0.25 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.93 3pva h PHE 253 Cb -0.04 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.11 3pva h PHE 253 CO -0.01 0.04 -0.39 0.45 -0.60 0.00 0.00 178.31 177.80 3pva h HIS 254 N 0.00 0.38 -0.29 -0.55 3.86 -0.83 -2.72 115.15 114.99 3pva h HIS 254 Ca -0.00 -0.21 0.01 0.00 -1.16 0.00 0.00 60.37 59.01 3pva h HIS 254 Cb 0.66 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 3pva h HIS 254 CO 0.00 1.03 0.18 0.82 0.86 0.00 0.00 177.93 180.82 3pva h ILE 255 N -0.38 1.05 0.00 2.45 2.04 -1.18 -2.22 117.51 119.28 3pva h ILE 255 Ca -0.05 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3pva h ILE 255 Cb 1.14 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3pva h ILE 255 CO 0.08 0.07 0.00 0.18 0.00 0.00 0.00 178.15 178.47 3pva n LEU 256 N -4.91 0.45 0.21 1.44 4.77 -0.71 -2.34 117.00 115.91 3pva n LEU 256 Ca -0.01 0.61 0.15 0.00 -0.03 0.00 0.00 56.01 56.72 3pva n LEU 256 Cb 0.04 -0.54 0.53 0.00 -2.33 0.00 0.00 43.42 41.11 3pva n LEU 256 CO 0.33 -0.45 0.92 0.77 -1.33 0.00 0.00 177.39 177.64 3pva h SER 257 N 0.00 0.00 0.76 -1.43 4.64 -1.06 -0.57 113.55 115.89 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 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3pva h SER 257 CO 0.00 0.00 -0.04 -1.54 -0.87 0.00 0.00 176.83 174.38 3pva n SER 258 N -2.78 0.07 -0.77 4.97 3.41 -0.99 -3.19 113.62 114.35 3pva n SER 258 Ca 0.02 0.12 0.05 0.00 -0.26 0.00 0.00 58.87 58.81 3pva n SER 258 Cb 0.33 -0.34 0.12 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.37 1.26 -3.16 -3.33 0.24 -0.26 -5.01 118.33 106.70 3pva n VAL 259 Ca 0.10 -2.07 -0.41 0.00 -2.04 0.00 0.00 64.34 59.92 3pva n VAL 259 Cb 0.30 0.21 -0.07 0.00 -1.47 0.00 0.00 33.84 32.81 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 -2.57 6.41 -0.38 -1.34 2.47 -0.98 -4.94 114.94 113.61 3pva s ASN 260 Ca 0.32 0.16 -0.19 0.00 0.42 0.00 0.00 52.86 53.57 3pva s ASN 260 Cb 0.32 -2.31 0.01 0.00 -1.45 0.00 0.00 41.25 37.82 3pva s ASN 260 CO -0.08 -0.53 0.55 -0.63 -3.72 0.00 0.00 177.10 172.69 3pva s ILE 261 N 2.58 4.97 0.42 -5.21 1.01 -1.26 -4.96 121.20 118.74 3pva s ILE 261 Ca 0.23 0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.83 3pva s ILE 261 Cb -0.15 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.19 3pva s ILE 261 CO 0.14 -0.35 1.24 -2.84 0.00 0.00 0.00 174.94 173.12 3pva s PRO 262 N 2.49 3.94 0.22 2.79 0.02 -1.26 -2.37 135.00 140.84 3pva s PRO 262 Ca 0.19 1.99 -0.32 0.00 0.02 0.00 0.00 61.00 62.88 3pva s PRO 262 Cb -0.15 -2.66 -0.13 0.00 0.02 0.00 0.00 34.50 31.58 3pva s PRO 262 CO 0.15 -0.46 1.57 1.63 -0.33 0.00 0.00 177.00 179.55 3pva n LYS 263 N -0.02 2.38 0.00 5.54 5.02 -1.26 -2.36 118.16 127.46 3pva n LYS 263 Ca 0.05 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 3pva n LYS 263 Cb 0.45 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.85 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 2.91 2.24 0.14 0.72 0.00 -1.26 -4.91 105.19 105.02 3pva n GLY 264 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 0.43 -3.22 1.61 -1.51 -1.79 -3.44 116.25 108.34 3pva h VAL 265 Ca 0.00 -1.69 -0.57 0.00 -1.23 0.00 0.00 66.70 63.20 3pva h VAL 265 Cb 0.00 2.05 -0.35 0.00 -2.13 0.00 0.00 31.29 30.85 3pva h VAL 265 CO 0.00 0.25 -0.83 -0.69 -1.23 0.00 0.00 177.57 175.07 3pva s VAL 266 N -3.08 1.39 0.04 7.19 1.01 -1.26 -5.07 120.40 120.63 3pva s VAL 266 Ca 0.02 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.53 3pva s VAL 266 Cb 0.08 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3pva s VAL 266 CO 0.76 0.42 -0.22 -0.76 0.00 0.00 0.00 175.10 175.30 3pva s LEU 267 N 1.26 2.37 0.00 3.92 1.43 -1.26 -0.33 118.68 126.08 3pva s LEU 267 Ca -0.01 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 3pva s LEU 267 Cb -0.14 -1.39 0.05 0.00 0.03 0.00 0.00 46.19 44.73 3pva s LEU 267 CO -0.05 0.26 0.25 0.35 0.23 0.00 0.00 176.35 177.39 3pva n THR 268 N 1.70 0.00 -0.00 5.49 -2.24 0.20 -4.86 114.28 114.57 3pva n THR 268 Ca -0.17 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 3pva n THR 268 Cb 0.52 -1.79 0.02 0.00 -2.10 0.00 0.00 70.33 66.98 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 -0.47 0.69 0.09 3.42 2.35 -2.01 -2.12 115.58 117.53 3pva h ASN 269 Ca -0.08 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3pva h ASN 269 Cb 0.23 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3pva h ASN 269 CO 0.06 1.14 0.00 -0.08 -1.65 0.00 0.00 177.43 176.89 3pva h GLU 270 N 0.45 0.00 0.00 0.81 4.57 -2.06 -3.46 114.58 114.90 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 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3pva h GLU 270 CO 0.12 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.36 3pva n GLY 271 N -1.00 0.68 3.77 1.92 0.00 -0.80 -5.04 105.19 104.72 3pva n GLY 271 Ca -0.02 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.56 4.66 -0.06 1.61 3.01 -1.26 -4.70 119.74 122.44 3pva s LYS 272 Ca 0.00 1.29 -0.24 0.00 -1.01 0.00 0.00 55.97 56.01 3pva s LYS 272 Cb 0.00 -3.18 -0.04 0.00 -1.01 0.00 0.00 37.83 33.60 3pva s LYS 272 CO 0.00 0.50 0.74 -0.08 0.51 0.00 0.00 175.35 177.02 3pva s THR 273 N -1.25 5.02 -0.37 2.17 -1.32 -1.26 -0.63 115.64 118.01 3pva s THR 273 Ca 0.40 1.53 -0.15 0.00 -1.21 0.00 0.00 61.69 62.26 3pva s THR 273 Cb -0.23 -4.08 -0.00 0.00 -1.51 0.00 0.00 72.50 66.68 3pva s THR 273 CO 0.28 0.24 0.35 -0.62 -2.21 0.00 0.00 174.62 172.65 3pva s ASP 274 N 0.83 6.15 0.14 8.08 2.15 0.55 -4.12 116.67 130.46 3pva s ASP 274 Ca 0.39 -0.43 -0.00 0.00 0.43 0.00 0.00 52.55 52.94 3pva s ASP 274 Cb -0.18 -2.19 -0.04 0.00 -0.30 0.00 0.00 42.92 40.21 3pva s ASP 274 CO 0.19 -0.38 0.04 -0.72 -0.17 0.00 0.00 175.17 174.12 3pva s TYR 275 N 1.95 0.95 -0.85 -5.34 1.13 -1.08 -4.27 117.35 109.84 3pva s TYR 275 Ca 0.10 -1.16 -0.25 0.00 -1.41 0.00 0.00 57.07 54.35 3pva s TYR 275 Cb -0.17 -0.54 0.01 0.00 -1.10 0.00 0.00 41.96 40.16 3pva s TYR 275 CO 0.12 -0.42 1.61 0.99 -2.51 0.00 0.00 175.55 175.33 3pva s THR 276 N -3.92 3.65 0.14 -3.49 2.01 -1.00 -2.12 115.64 110.91 3pva s THR 276 Ca 0.23 -0.21 -0.14 0.00 0.31 0.00 0.00 61.69 61.88 3pva s THR 276 Cb 0.07 -4.56 0.01 0.00 0.01 0.00 0.00 72.50 68.03 3pva s THR 276 CO 0.02 -1.49 1.66 0.40 -0.69 0.00 0.00 174.62 174.52 3pva h ILE 277 N 6.74 1.23 -3.64 1.82 2.04 -1.38 -3.37 117.51 120.95 3pva h ILE 277 Ca -0.02 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 3pva h ILE 277 Cb 1.05 0.86 -0.09 0.00 -0.74 0.00 0.00 36.82 37.90 3pva h ILE 277 CO 1.30 0.27 -0.10 -0.72 0.00 0.00 0.00 178.15 178.90 3pva s TYR 278 N -5.38 0.38 -0.06 1.37 -0.85 -1.24 -1.62 117.35 109.95 3pva s TYR 278 Ca -0.13 -0.75 -0.02 0.00 -0.52 0.00 0.00 57.07 55.65 3pva s TYR 278 Cb 0.11 0.21 0.04 0.00 0.38 0.00 0.00 41.96 42.69 3pva s TYR 278 CO 0.78 -1.03 0.12 0.99 -1.52 0.00 0.00 175.55 174.89 3pva s THR 279 N -3.90 -0.13 0.19 -3.49 2.01 0.31 -1.55 115.64 109.07 3pva s THR 279 Ca 0.22 0.28 0.06 0.00 0.31 0.00 0.00 61.69 62.57 3pva s THR 279 Cb -0.01 -0.22 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 3pva s THR 279 CO 0.10 0.12 -0.11 -0.94 -0.69 0.00 0.00 174.62 173.10 3pva s SER 280 N 1.69 2.19 0.00 3.53 1.04 -0.22 -0.46 113.70 121.47 3pva s SER 280 Ca -0.03 -1.04 -0.03 0.00 0.48 0.00 0.00 55.95 55.32 3pva s SER 280 Cb -0.12 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 3pva s SER 280 CO -0.05 -0.28 0.06 0.00 0.98 0.00 0.00 173.24 173.95 3pva s ALA 281 N -3.16 -0.12 0.05 5.32 0.00 -0.37 -1.66 121.76 121.82 3pva s ALA 281 Ca 0.21 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.98 3pva s ALA 281 Cb 0.01 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 3pva s ALA 281 CO 0.05 -0.14 -0.10 -1.64 0.00 0.00 0.00 175.76 173.92 3pva s MET 282 N -1.04 0.66 -0.16 0.00 -1.94 0.57 -0.27 119.30 117.13 3pva s MET 282 Ca -0.11 -0.76 0.02 0.00 -1.71 0.00 0.00 55.69 53.13 3pva s MET 282 Cb -0.07 -0.56 0.02 0.00 2.01 0.00 0.00 34.83 36.23 3pva s MET 282 CO 0.00 0.12 -0.20 0.00 -0.01 0.00 0.00 175.02 174.93 3pva h ALA 284 N 7.67 0.73 0.02 0.00 0.00 -1.22 0.24 119.26 126.71 3pva h ALA 284 Ca -0.39 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.16 3pva h ALA 284 Cb 1.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3pva h ALA 284 CO 0.59 0.29 -0.97 1.96 0.00 0.00 0.00 179.25 181.13 3pva h GLN 285 N 0.77 0.34 0.00 0.00 1.08 -1.88 -3.30 115.11 112.12 3pva h GLN 285 Ca 0.20 -0.39 -0.05 0.00 -1.45 0.00 0.00 58.65 56.95 3pva h GLN 285 Cb 0.12 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 3pva h GLN 285 CO -0.02 1.09 -1.12 0.66 -0.95 0.00 0.00 178.83 178.48 3pva h SER 286 N 0.18 0.00 -3.06 1.46 4.64 -1.93 -3.48 113.55 111.36 3pva h SER 286 Ca -0.08 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.91 3pva h SER 286 Cb 1.62 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.73 3pva h SER 286 CO 0.16 0.19 -0.46 0.29 -0.87 0.00 0.00 176.83 176.14 3pva n LYS 287 N -2.76 -2.72 -3.56 4.77 4.01 0.07 -4.76 118.16 113.23 3pva n LYS 287 Ca -0.03 0.77 -0.31 0.00 -0.51 0.00 0.00 58.31 58.23 3pva n LYS 287 Cb 0.64 -5.23 -0.04 0.00 -0.51 0.00 0.00 35.03 29.89 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 -2.52 6.50 -0.12 4.39 0.02 -1.24 -2.56 114.94 119.42 3pva s ASN 288 Ca 0.13 0.67 0.02 0.00 -1.02 0.00 0.00 52.86 52.65 3pva s ASN 288 Cb -0.06 -2.12 0.01 0.00 0.02 0.00 0.00 41.25 39.10 3pva s ASN 288 CO 0.16 -0.03 -0.17 -0.47 0.02 0.00 0.00 177.10 176.61 3pva s TYR 289 N -1.80 2.14 0.12 2.20 6.14 0.22 -2.49 117.35 123.89 3pva s TYR 289 Ca 0.43 -1.03 0.10 0.00 0.64 0.00 0.00 57.07 57.21 3pva s TYR 289 Cb -0.11 -1.52 -0.04 0.00 0.42 0.00 0.00 41.96 40.71 3pva s TYR 289 CO 0.25 -0.51 -0.23 0.71 0.64 0.00 0.00 175.55 176.41 3pva s TYR 290 N 0.95 2.40 -0.10 4.97 1.51 0.62 -0.98 117.35 126.73 3pva s TYR 290 Ca -0.07 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 3pva s TYR 290 Cb -0.15 -1.30 0.08 0.00 -0.11 0.00 0.00 41.96 40.48 3pva s TYR 290 CO -0.02 0.34 0.73 -0.59 -1.11 0.00 0.00 175.55 174.90 3pva s PHE 291 N -1.07 -0.64 0.12 2.71 -0.71 -0.65 -1.23 117.98 116.51 3pva s PHE 291 Ca 0.15 1.19 0.05 0.00 -1.04 0.00 0.00 56.93 57.28 3pva s PHE 291 Cb -0.10 0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 3pva s PHE 291 CO 0.07 -0.54 -0.12 -1.59 -1.34 0.00 0.00 175.22 171.70 3pva s LYS 292 N -0.93 0.98 0.33 1.99 -2.85 0.39 -0.84 119.74 118.81 3pva s LYS 292 Ca -0.08 -1.24 0.06 0.00 -1.00 0.00 0.00 55.97 53.71 3pva s LYS 292 Cb -0.01 -0.77 -0.07 0.00 -2.06 0.00 0.00 37.83 34.93 3pva s LYS 292 CO 0.07 0.14 -0.01 -0.48 0.10 0.00 0.00 175.35 175.17 3pva s LEU 293 N -2.54 2.52 0.22 2.77 0.05 -1.10 -0.53 118.68 120.08 3pva s LEU 293 Ca 0.09 -1.29 -0.18 0.00 0.05 0.00 0.00 54.13 52.81 3pva s LEU 293 Cb -0.03 -0.67 0.23 0.00 -2.05 0.00 0.00 46.19 43.66 3pva s LEU 293 CO 0.02 -0.43 1.56 0.22 -0.55 0.00 0.00 176.35 177.18 3pva h TYR 294 N 2.08 -0.99 -0.22 3.48 3.20 -1.48 -1.38 116.97 121.67 3pva h TYR 294 Ca -0.41 0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.55 3pva h TYR 294 Cb 1.24 0.56 0.00 0.00 1.54 0.00 0.00 36.73 40.07 3pva h TYR 294 CO 0.67 -0.40 0.00 -0.25 -1.64 0.00 0.00 178.16 176.55 3pva n ASP 295 N -5.47 1.39 -3.36 -2.11 8.00 -1.26 -4.78 116.55 108.95 3pva n ASP 295 Ca 0.09 -1.86 -0.08 0.00 0.71 0.00 0.00 54.79 53.65 3pva n ASP 295 Cb 0.40 -0.14 -0.08 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 -1.22 0.10 0.00 -2.24 3.04 -0.52 -2.32 114.94 111.78 3pva s ASN 296 Ca 0.23 0.32 0.29 0.00 0.04 0.00 0.00 52.86 53.75 3pva s ASN 296 Cb 0.12 1.20 1.29 0.00 -1.54 0.00 0.00 41.25 42.32 3pva s ASN 296 CO 0.17 -0.29 1.89 -1.54 -3.04 0.00 0.00 177.10 174.29 3pva n SER 297 N 5.37 0.63 -4.68 -4.21 3.41 -1.26 -2.71 113.62 110.17 3pva n SER 297 Ca -0.04 -0.87 -0.42 0.00 -0.26 0.00 0.00 58.87 57.27 3pva n SER 297 Cb 0.50 -0.03 -0.03 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 -2.28 4.30 0.19 4.33 3.52 -1.26 -4.96 118.95 122.79 3pva s ARG 298 Ca 0.34 1.73 -0.30 0.00 -0.13 0.00 0.00 55.73 57.38 3pva s ARG 298 Cb 0.21 -3.63 -0.08 0.00 -1.56 0.00 0.00 34.95 29.89 3pva s ARG 298 CO 0.43 -0.55 1.05 0.42 -0.81 0.00 0.00 175.30 175.84 3pva s ILE 299 N 2.65 3.95 0.03 4.11 1.01 -1.26 -4.61 121.20 127.08 3pva s ILE 299 Ca 0.57 1.74 0.09 0.00 0.00 0.00 0.00 60.65 63.05 3pva s ILE 299 Cb -0.25 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 3pva s ILE 299 CO 0.21 0.33 -0.26 -0.44 0.00 0.00 0.00 174.94 174.78 3pva s SER 300 N -0.35 3.19 0.01 3.58 0.01 -0.02 -4.92 113.70 115.19 3pva s SER 300 Ca 0.47 -0.56 0.06 0.00 1.31 0.00 0.00 55.95 57.23 3pva s SER 300 Cb -0.28 -0.32 -0.02 0.00 0.21 0.00 0.00 66.02 65.61 3pva s SER 300 CO 0.34 0.27 -0.20 0.00 0.41 0.00 0.00 173.24 174.06 3pva s ALA 301 N -0.78 1.67 -0.09 1.44 0.00 -1.26 -1.64 121.76 121.11 3pva s ALA 301 Ca 0.12 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.19 3pva s ALA 301 Cb -0.10 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.64 3pva s ALA 301 CO 0.02 0.40 -0.18 0.08 0.00 0.00 0.00 175.76 176.07 3pva s VAL 302 N -0.58 1.61 -0.22 0.00 1.01 -0.16 -4.98 120.40 117.08 3pva s VAL 302 Ca 0.07 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 3pva s VAL 302 Cb -0.08 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3pva s VAL 302 CO 0.00 0.46 0.24 -0.55 0.00 0.00 0.00 175.10 175.25 3pva s SER 303 N 0.53 6.25 0.01 3.32 0.15 -1.26 -0.61 113.70 122.09 3pva s SER 303 Ca -0.16 0.27 -0.23 0.00 0.70 0.00 0.00 55.95 56.53 3pva s SER 303 Cb -0.17 -2.15 -0.17 0.00 -1.71 0.00 0.00 66.02 61.82 3pva s SER 303 CO 0.06 0.04 1.32 0.25 1.20 0.00 0.00 173.24 176.11 3pva h LEU 304 N 7.38 0.18 -0.87 3.45 5.85 -1.80 -3.18 115.31 126.31 3pva h LEU 304 Ca -0.38 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 57.87 3pva h LEU 304 Cb 1.16 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3pva h LEU 304 CO 0.69 0.61 0.00 0.23 -0.34 0.00 0.00 178.44 179.63 3pva n MET 305 N -4.73 0.13 0.15 1.25 2.81 -1.26 -2.00 117.12 113.47 3pva n MET 305 Ca -0.07 0.52 0.13 0.00 -1.81 0.00 0.00 57.70 56.46 3pva n MET 305 Cb 0.29 -1.83 0.36 0.00 -0.71 0.00 0.00 33.22 31.34 3pva n MET 305 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3pva h ALA 306 N 2.13 1.00 -1.32 3.04 0.00 -1.95 -3.46 119.26 118.70 3pva h ALA 306 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 3pva h ALA 306 Cb 0.14 0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.97 3pva h ALA 306 CO 0.00 0.00 -0.10 -1.21 0.00 0.00 0.00 179.25 177.94 3pva s GLU 307 N -3.20 2.40 -0.40 0.00 0.41 -0.85 -5.05 118.70 112.01 3pva s GLU 307 Ca 0.08 -1.23 -0.23 0.00 -0.41 0.00 0.00 54.97 53.18 3pva s GLU 307 Cb 0.10 -2.59 0.02 0.00 -1.78 0.00 0.00 34.13 29.87 3pva s GLU 307 CO 0.59 -0.76 0.77 1.21 -0.49 0.00 0.00 175.26 176.59 3pva s ASN 308 N -4.53 6.48 0.00 -0.19 2.47 -1.26 -4.91 114.94 113.00 3pva s ASN 308 Ca 0.60 0.13 0.24 0.00 0.42 0.00 0.00 52.86 54.25 3pva s ASN 308 Cb -0.08 -2.38 1.28 0.00 -1.45 0.00 0.00 41.25 38.62 3pva s ASN 308 CO 0.38 -0.80 1.81 0.18 -3.72 0.00 0.00 177.10 174.96 3pva n LEU 309 N 6.51 0.00 -0.80 3.21 4.77 -1.26 -1.85 117.00 127.57 3pva n LEU 309 Ca 0.02 0.22 0.07 0.00 -0.03 0.00 0.00 56.01 56.29 3pva n LEU 309 Cb 0.48 -0.22 0.19 0.00 -2.33 0.00 0.00 43.42 41.55 3pva n LEU 309 CO 0.55 -0.04 0.66 0.59 -1.33 0.00 0.00 177.39 177.82 3pva n ASN 310 N -1.22 3.18 -4.56 -1.43 4.13 -1.26 0.76 115.26 114.86 3pva n ASN 310 Ca 0.13 -2.02 -0.35 0.00 1.68 0.00 0.00 54.58 54.02 3pva n ASN 310 Cb 0.17 -0.29 0.09 0.00 -1.54 0.00 0.00 39.78 38.20 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 0.75 -0.17 0.09 6.41 7.64 -0.77 -4.89 113.62 122.68 3pva n SER 311 Ca 0.15 0.62 -0.14 0.00 1.01 0.00 0.00 58.87 60.51 3pva n SER 311 Cb 0.48 -1.34 -0.13 0.00 -1.01 0.00 0.00 64.21 62.21 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 -0.42 0.21 -6.22 1.43 1.08 -1.94 -3.44 115.11 105.80 3pva h GLN 312 Ca -0.46 -0.35 -0.47 0.00 -1.45 0.00 0.00 58.65 55.92 3pva h GLN 312 Cb 1.33 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.87 3pva h GLN 312 CO 0.45 1.16 -0.43 -0.51 -0.95 0.00 0.00 178.83 178.55 3pva s ASP 313 N -7.04 5.87 0.24 1.46 1.01 -1.26 -4.95 116.67 112.00 3pva s ASP 313 Ca -0.03 -0.16 -0.30 0.00 0.71 0.00 0.00 52.55 52.77 3pva s ASP 313 Cb 0.08 -1.45 -0.09 0.00 1.01 0.00 0.00 42.92 42.47 3pva s ASP 313 CO 0.87 -0.20 1.26 -0.76 0.21 0.00 0.00 175.17 176.55 3pva s LEU 314 N -4.00 4.45 -0.33 1.23 1.02 -1.26 -4.67 118.68 115.12 3pva s LEU 314 Ca 0.38 2.42 -0.08 0.00 0.02 0.00 0.00 54.13 56.87 3pva s LEU 314 Cb -0.08 -3.62 0.03 0.00 0.02 0.00 0.00 46.19 42.53 3pva s LEU 314 CO 0.28 -0.44 0.13 -0.63 0.02 0.00 0.00 176.35 175.71 3pva s ILE 315 N -0.40 4.07 0.10 -0.59 1.01 -1.06 -4.94 121.20 119.40 3pva s ILE 315 Ca 0.52 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 60.33 3pva s ILE 315 Cb -0.36 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 3pva s ILE 315 CO 0.42 -0.11 -0.06 0.42 0.00 0.00 0.00 174.94 175.61 3pva s THR 316 N 1.48 3.62 -0.11 2.92 -4.23 -1.26 0.33 115.64 118.39 3pva s THR 316 Ca 0.01 -1.17 -0.00 0.00 -1.18 0.00 0.00 61.69 59.34 3pva s THR 316 Cb -0.19 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 70.96 3pva s THR 316 CO 0.04 0.11 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.78 3pva s PHE 317 N -1.27 1.57 0.50 3.99 0.40 0.66 -4.98 117.98 118.86 3pva s PHE 317 Ca 0.23 -0.79 -0.18 0.00 -0.60 0.00 0.00 56.93 55.60 3pva s PHE 317 Cb -0.11 -1.27 -0.08 0.00 0.51 0.00 0.00 43.02 42.07 3pva s PHE 317 CO 0.16 -0.52 0.99 -2.00 0.70 0.00 0.00 175.22 174.55 3pva s GLU 318 N 1.59 3.93 0.23 0.44 2.56 -1.26 0.10 118.70 126.29 3pva s GLU 318 Ca 0.03 1.06 -0.30 0.00 0.00 0.00 0.00 54.97 55.77 3pva s GLU 318 Cb -0.13 -2.13 -0.09 0.00 2.00 0.00 0.00 34.13 33.79 3pva s GLU 318 CO -0.08 -0.29 0.98 -1.58 -0.56 0.00 0.00 175.26 173.74 3pva s TRP 319 N -2.44 3.87 -0.55 5.30 0.52 -1.26 -4.89 118.94 119.49 3pva s TRP 319 Ca 0.61 1.84 -0.08 0.00 0.02 0.00 0.00 56.10 58.50 3pva s TRP 319 Cb -0.11 -3.06 0.14 0.00 -1.15 0.00 0.00 33.47 29.29 3pva s TRP 319 CO 0.26 0.18 0.41 0.34 0.02 0.00 0.00 176.95 178.16 3pva s ASP 320 N -0.90 5.69 0.00 2.95 2.15 -1.26 -4.95 116.67 120.35 3pva s ASP 320 Ca 0.43 -2.25 0.11 0.00 0.43 0.00 0.00 52.55 51.27 3pva s ASP 320 Cb -0.27 -1.98 0.68 0.00 -0.30 0.00 0.00 42.92 41.05 3pva s ASP 320 CO 0.33 -0.59 1.34 -1.14 -0.17 0.00 0.00 175.17 174.95 3pva n ARG 321 N 4.42 0.88 -3.50 4.34 3.00 -1.26 -4.75 116.66 119.79 3pva n ARG 321 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.51 3pva n ARG 321 Cb 0.41 -1.20 -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 3.79 -0.25 -0.14 -0.14 -1.26 -4.62 119.74 115.11 3pva s LYS 322 Ca 0.17 0.21 -0.29 0.00 -1.36 0.00 0.00 55.97 54.70 3pva s LYS 322 Cb 0.08 -2.83 -0.02 0.00 -1.68 0.00 0.00 37.83 33.39 3pva s LYS 322 CO 0.13 0.44 1.52 -1.14 -0.76 0.00 0.00 175.35 175.54 3pva s GLN 323 N -2.40 3.82 -1.39 1.68 2.00 -0.98 -4.48 119.66 117.90 3pva s GLN 323 Ca 0.41 1.51 -0.14 0.00 -2.00 0.00 0.00 55.36 55.13 3pva s GLN 323 Cb -0.13 -3.99 0.07 0.00 0.80 0.00 0.00 33.01 29.77 3pva s GLN 323 CO 0.21 -1.26 2.05 -3.47 -0.50 0.00 0.00 175.29 172.31 3pva n ASP 324 N 8.24 4.32 -4.73 6.67 -0.08 -1.26 -4.96 116.55 124.75 3pva n ASP 324 Ca 0.18 -2.90 -0.41 0.00 -1.51 0.00 0.00 54.79 50.14 3pva n ASP 324 Cb 0.46 -1.64 -0.04 0.00 2.34 0.00 0.00 41.12 42.24 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 2.86 3.90 -0.19 5.18 -1.09 -1.26 -4.86 121.20 125.73 3pva s ILE 325 Ca 0.47 1.54 -0.17 0.00 -2.23 0.00 0.00 60.65 60.26 3pva s ILE 325 Cb 0.11 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 3pva s ILE 325 CO -0.04 0.22 0.45 -0.75 -1.23 0.00 0.00 174.94 173.59 3pva s LYS 326 N 0.08 4.20 -0.20 2.79 2.20 -1.26 -5.04 119.74 122.51 3pva s LYS 326 Ca 0.52 0.31 -0.21 0.00 -0.36 0.00 0.00 55.97 56.24 3pva s LYS 326 Cb -0.30 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.46 3pva s LYS 326 CO 0.33 -0.06 0.62 -0.65 -0.36 0.00 0.00 175.35 175.24 3pva s GLN 327 N 1.36 4.21 0.03 4.03 -0.21 -1.26 -4.92 119.66 122.90 3pva s GLN 327 Ca 0.22 0.60 0.06 0.00 0.02 0.00 0.00 55.36 56.25 3pva s GLN 327 Cb -0.15 -3.58 -0.24 0.00 1.00 0.00 0.00 33.01 30.04 3pva s GLN 327 CO 0.09 -0.24 0.95 -0.07 -2.12 0.00 0.00 175.29 173.90 3pva h LEU 328 N 8.19 0.12 0.00 2.90 4.07 -2.01 -3.47 115.31 125.11 3pva h LEU 328 Ca -0.31 -0.17 -0.15 0.00 0.08 0.00 0.00 57.88 57.32 3pva h LEU 328 Cb 1.14 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.81 3pva h LEU 328 CO 0.77 1.14 -0.14 -0.46 -1.08 0.00 0.00 178.44 178.67 3pva n ASN 329 N -3.28 0.13 -4.57 -0.43 6.94 -1.26 -5.06 115.26 107.74 3pva n ASN 329 Ca -0.11 -1.66 -0.37 0.00 -0.02 0.00 0.00 54.58 52.42 3pva n ASN 329 Cb 1.01 0.45 -0.03 0.00 -2.36 0.00 0.00 39.78 38.85 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 -2.43 3.36 0.93 -3.83 2.00 -1.26 -4.98 119.66 113.46 3pva s GLN 330 Ca 0.10 -1.11 -0.12 0.00 -2.00 0.00 0.00 55.36 52.24 3pva s GLN 330 Cb 0.01 -5.32 0.15 0.00 0.80 0.00 0.00 33.01 28.64 3pva s GLN 330 CO 0.07 -2.60 1.09 0.08 -0.50 0.00 0.00 175.29 173.44 3pva s VAL 331 N 6.38 2.44 -0.43 1.34 1.01 -1.26 -4.95 120.40 124.93 3pva s VAL 331 Ca 0.54 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.71 3pva s VAL 331 Cb -0.01 -2.65 0.62 0.00 0.00 0.00 0.00 36.38 34.34 3pva s VAL 331 CO -0.03 -0.19 1.82 -3.20 0.00 0.00 0.00 175.10 173.51 3pva n ASN 332 N -3.97 3.68 -2.98 3.32 5.15 -1.26 -4.99 115.26 114.22 3pva n ASN 332 Ca 0.06 -3.66 -0.07 0.00 -0.60 0.00 0.00 54.58 50.31 3pva n ASN 332 Cb 0.56 -0.80 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 -1.13 -0.78 -1.56 3.44 0.31 -1.26 -5.31 118.33 112.03 3pva n VAL 333 Ca 0.54 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.85 3pva n VAL 333 Cb 1.48 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 33.72 3pva n VAL 333 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31