#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 1.87 -0.16 0.00 0.01 -1.24 -3.98 113.70 110.20 3pva s SER 2 Ca 0.00 -0.75 -0.28 0.00 1.31 0.00 0.00 55.95 56.23 3pva s SER 2 Cb 0.00 -0.06 0.08 0.00 0.21 0.00 0.00 66.02 66.25 3pva s SER 2 CO 0.00 -0.13 0.76 -0.94 0.41 0.00 0.00 173.24 173.34 3pva s SER 3 N -2.22 -0.64 0.22 2.44 1.04 0.15 -0.74 113.70 113.95 3pva s SER 3 Ca 0.05 0.96 -0.15 0.00 0.48 0.00 0.00 55.95 57.28 3pva s SER 3 Cb -0.06 0.87 0.01 0.00 0.10 0.00 0.00 66.02 66.94 3pva s SER 3 CO 0.03 -0.41 0.50 -1.48 0.98 0.00 0.00 173.24 172.86 3pva s LEU 4 N -0.50 0.22 0.06 2.42 2.34 -0.03 0.45 118.68 123.63 3pva s LEU 4 Ca -0.05 -0.68 0.04 0.00 0.06 0.00 0.00 54.13 53.50 3pva s LEU 4 Cb -0.02 1.98 -0.03 0.00 -0.56 0.00 0.00 46.19 47.56 3pva s LEU 4 CO 0.04 -1.09 -0.11 -0.94 -1.06 0.00 0.00 176.35 173.19 3pva s SER 5 N -2.93 1.27 0.29 1.48 1.04 -0.09 -0.50 113.70 114.26 3pva s SER 5 Ca 0.14 -0.62 0.03 0.00 0.48 0.00 0.00 55.95 55.98 3pva s SER 5 Cb -0.01 -0.00 -0.06 0.00 0.10 0.00 0.00 66.02 66.05 3pva s SER 5 CO 0.02 -0.17 0.06 0.27 0.98 0.00 0.00 173.24 174.41 3pva s ILE 6 N -1.54 0.97 -0.10 -1.02 -0.00 -0.16 -4.91 121.20 114.43 3pva s ILE 6 Ca -0.04 -2.01 0.03 0.00 -0.00 0.00 0.00 60.65 58.64 3pva s ILE 6 Cb -0.09 -2.69 0.00 0.00 -0.00 0.00 0.00 42.46 39.69 3pva s ILE 6 CO 0.01 -0.04 -0.22 -0.60 -0.00 0.00 0.00 174.94 174.09 3pva s ARG 7 N -3.93 2.83 0.73 0.37 6.06 -1.26 -1.88 118.95 121.86 3pva s ARG 7 Ca 0.36 -0.80 -0.08 0.00 -2.50 0.00 0.00 55.73 52.71 3pva s ARG 7 Cb 0.08 -2.19 0.16 0.00 0.06 0.00 0.00 34.95 33.06 3pva s ARG 7 CO 0.14 0.11 0.99 0.25 -2.50 0.00 0.00 175.30 174.30 3pva n THR 8 N 3.69 0.00 0.94 4.11 -2.24 0.74 -4.51 114.28 117.01 3pva n THR 8 Ca -0.20 -1.03 0.12 0.00 -2.27 0.00 0.00 64.05 60.68 3pva n THR 8 Cb 0.52 -1.33 0.32 0.00 -2.10 0.00 0.00 70.33 67.74 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 -3.14 0.06 1.25 4.28 -2.24 0.39 -3.52 114.28 111.36 3pva n THR 9 Ca 0.14 -0.04 0.13 0.00 -2.27 0.00 0.00 64.05 62.01 3pva n THR 9 Cb 0.49 0.03 0.68 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.60 0.00 -2.09 3.42 2.03 -1.24 -4.89 116.55 112.18 3pva n ASP 10 Ca 0.06 -0.04 -0.12 0.00 0.52 0.00 0.00 54.79 55.20 3pva n ASP 10 Cb 0.35 -0.31 0.04 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.31 -4.27 -4.58 1.67 8.00 -1.23 -5.03 116.55 109.80 3pva n ASP 11 Ca 0.12 -0.27 -0.33 0.00 0.71 0.00 0.00 54.79 55.02 3pva n ASP 11 Cb 0.23 -2.87 -0.11 0.00 -0.02 0.00 0.00 41.12 38.35 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 -5.65 2.59 -0.13 -1.24 1.02 -1.26 -4.93 119.74 110.15 3pva s LYS 12 Ca 0.30 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 55.59 3pva s LYS 12 Cb -0.13 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.64 3pva s LYS 12 CO 0.37 0.62 -0.04 -1.12 -0.92 0.00 0.00 175.35 174.25 3pva s SER 13 N -1.21 4.78 0.02 2.83 0.01 -1.26 -0.19 113.70 118.67 3pva s SER 13 Ca 0.15 -0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.37 3pva s SER 13 Cb -0.11 -1.61 -0.02 0.00 0.21 0.00 0.00 66.02 64.49 3pva s SER 13 CO 0.05 0.23 -0.13 -0.76 0.41 0.00 0.00 173.24 173.04 3pva s LEU 14 N -0.02 2.10 0.00 2.44 1.02 -0.79 -1.04 118.68 122.40 3pva s LEU 14 Ca 0.01 -0.35 0.05 0.00 0.02 0.00 0.00 54.13 53.86 3pva s LEU 14 Cb -0.13 -0.62 -0.01 0.00 0.02 0.00 0.00 46.19 45.44 3pva s LEU 14 CO 0.03 0.09 -0.16 0.12 0.02 0.00 0.00 176.35 176.45 3pva s PHE 15 N -0.60 1.41 0.01 0.29 5.36 -0.28 -0.99 117.98 123.19 3pva s PHE 15 Ca 0.03 -0.29 -0.07 0.00 -0.96 0.00 0.00 56.93 55.65 3pva s PHE 15 Cb -0.06 -0.89 -0.00 0.00 -0.34 0.00 0.00 43.02 41.72 3pva s PHE 15 CO 0.00 -0.00 0.12 0.00 -1.46 0.00 0.00 175.22 173.88 3pva s ALA 16 N -0.48 -0.24 0.03 11.12 0.00 0.35 -0.57 121.76 131.97 3pva s ALA 16 Ca 0.05 -0.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.58 3pva s ALA 16 Cb -0.07 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.24 3pva s ALA 16 CO -0.00 -0.24 0.35 -0.98 0.00 0.00 0.00 175.76 174.88 3pva s ARG 17 N -1.76 0.83 0.08 0.00 1.04 -0.46 -0.86 118.95 117.83 3pva s ARG 17 Ca -0.12 -0.40 0.03 0.00 -1.04 0.00 0.00 55.73 54.20 3pva s ARG 17 Cb -0.06 0.37 -0.04 0.00 -2.04 0.00 0.00 34.95 33.18 3pva s ARG 17 CO -0.00 -0.27 0.10 0.95 -0.04 0.00 0.00 175.30 176.04 3pva s THR 18 N -2.33 4.67 -0.33 4.99 -4.23 0.08 -1.20 115.64 117.30 3pva s THR 18 Ca -0.06 -0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 59.71 3pva s THR 18 Cb -0.01 -3.27 0.07 0.00 1.34 0.00 0.00 72.50 70.63 3pva s THR 18 CO -0.02 0.12 0.04 -0.32 -0.54 0.00 0.00 174.62 173.90 3pva s MET 19 N -2.45 2.26 -0.39 3.99 1.75 -0.59 -3.65 119.30 120.22 3pva s MET 19 Ca 0.30 -1.43 -0.07 0.00 -1.25 0.00 0.00 55.69 53.24 3pva s MET 19 Cb -0.12 -3.26 0.07 0.00 2.84 0.00 0.00 34.83 34.36 3pva s MET 19 CO 0.23 -0.74 0.19 -0.51 -0.65 0.00 0.00 175.02 173.54 3pva s ASP 20 N 1.35 5.43 0.19 1.11 1.01 -1.26 -0.94 116.67 123.56 3pva s ASP 20 Ca -0.01 -1.47 -0.01 0.00 0.71 0.00 0.00 52.55 51.77 3pva s ASP 20 Cb -0.20 -1.91 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 3pva s ASP 20 CO -0.02 -0.46 0.11 0.12 0.21 0.00 0.00 175.17 175.13 3pva s PHE 21 N 1.36 1.15 -1.26 4.23 5.36 -0.88 -4.36 117.98 123.58 3pva s PHE 21 Ca 0.02 -1.32 0.26 0.00 -0.96 0.00 0.00 56.93 54.93 3pva s PHE 21 Cb -0.22 -0.59 0.65 0.00 -0.34 0.00 0.00 43.02 42.52 3pva s PHE 21 CO 0.01 -0.57 1.51 0.25 -1.46 0.00 0.00 175.22 174.96 3pva n THR 22 N -0.26 0.00 -3.72 0.12 -2.24 -1.26 -2.50 114.28 104.42 3pva n THR 22 Ca 0.00 -0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.62 3pva n THR 22 Cb 0.66 0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 69.06 3pva n THR 22 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3pva s MET 23 N -2.82 0.87 -0.53 -0.78 -2.45 -1.26 -4.77 119.30 107.55 3pva s MET 23 Ca 0.16 -0.51 -0.03 0.00 -1.25 0.00 0.00 55.69 54.07 3pva s MET 23 Cb 0.18 0.38 0.14 0.00 1.25 0.00 0.00 34.83 36.78 3pva s MET 23 CO 0.63 -0.29 0.34 -1.21 1.05 0.00 0.00 175.02 175.54 3pva s GLU 24 N -2.71 2.32 0.62 4.11 2.02 -1.26 -5.07 118.70 118.72 3pva s GLU 24 Ca -0.04 -2.24 -0.17 0.00 0.02 0.00 0.00 54.97 52.54 3pva s GLU 24 Cb -0.00 -3.66 -0.02 0.00 0.10 0.00 0.00 34.13 30.54 3pva s GLU 24 CO -0.04 -1.13 1.17 -1.25 0.02 0.00 0.00 175.26 174.02 3pva s PRO 25 N 0.43 2.88 0.01 0.39 0.04 -1.26 -4.84 135.00 132.65 3pva s PRO 25 Ca 0.13 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 3pva s PRO 25 Cb -0.21 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 3pva s PRO 25 CO -0.04 -1.24 1.87 -0.51 0.04 0.00 0.00 177.00 177.13 3pva s ASP 26 N -1.93 6.51 0.08 6.66 1.01 -1.26 -4.93 116.67 122.81 3pva s ASP 26 Ca 0.73 2.55 0.06 0.00 0.71 0.00 0.00 52.55 56.60 3pva s ASP 26 Cb -0.26 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.10 3pva s ASP 26 CO 0.36 -1.02 -0.15 -0.44 0.21 0.00 0.00 175.17 174.13 3pva s SER 27 N 4.06 1.82 0.28 0.27 0.01 -1.26 -4.51 113.70 114.38 3pva s SER 27 Ca 0.84 -0.65 -0.18 0.00 1.31 0.00 0.00 55.95 57.27 3pva s SER 27 Cb -0.40 -0.06 0.02 0.00 0.21 0.00 0.00 66.02 65.78 3pva s SER 27 CO 0.38 -0.07 0.65 -1.59 0.41 0.00 0.00 173.24 173.02 3pva s LYS 28 N -1.89 1.76 -0.05 12.44 0.00 -0.96 -4.64 119.74 126.40 3pva s LYS 28 Ca 0.01 -1.13 -0.22 0.00 0.00 0.00 0.00 55.97 54.63 3pva s LYS 28 Cb -0.09 0.57 -0.04 0.00 0.00 0.00 0.00 37.83 38.26 3pva s LYS 28 CO 0.03 -0.79 0.63 0.54 0.00 0.00 0.00 175.35 175.76 3pva s VAL 29 N -3.77 5.02 -0.10 1.79 0.11 0.13 -2.47 120.40 121.11 3pva s VAL 29 Ca 0.15 1.30 0.03 0.00 -2.93 0.00 0.00 61.98 60.53 3pva s VAL 29 Cb -0.04 -3.97 -0.01 0.00 -1.53 0.00 0.00 36.38 30.83 3pva s VAL 29 CO 0.08 0.32 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.35 3pva s ILE 30 N 0.45 2.49 -0.22 7.04 1.01 -0.33 -0.05 121.20 131.61 3pva s ILE 30 Ca 0.33 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 3pva s ILE 30 Cb -0.17 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3pva s ILE 30 CO 0.16 0.55 0.10 -0.63 0.00 0.00 0.00 174.94 175.12 3pva s ILE 31 N 0.18 4.89 -0.27 2.92 1.01 0.81 -2.13 121.20 128.62 3pva s ILE 31 Ca -0.11 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.49 3pva s ILE 31 Cb -0.16 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.06 3pva s ILE 31 CO 0.06 0.40 0.04 -0.69 0.00 0.00 0.00 174.94 174.75 3pva s VAL 32 N 0.85 3.85 0.58 2.92 1.01 0.81 -2.47 120.40 127.95 3pva s VAL 32 Ca 0.05 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 3pva s VAL 32 Cb -0.13 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 3pva s VAL 32 CO 0.03 0.22 1.02 -2.16 0.00 0.00 0.00 175.10 174.20 3pva s PRO 33 N 1.51 3.62 0.53 2.72 0.04 -1.26 -0.24 135.00 141.92 3pva s PRO 33 Ca 0.04 0.93 -0.20 0.00 0.04 0.00 0.00 61.00 61.81 3pva s PRO 33 Cb -0.16 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 3pva s PRO 33 CO 0.01 -0.55 0.80 0.54 0.04 0.00 0.00 177.00 177.84 3pva n ARG 34 N -2.21 0.86 -3.05 4.56 1.74 0.88 -2.75 116.66 116.69 3pva n ARG 34 Ca 0.07 0.32 -0.21 0.00 -0.77 0.00 0.00 57.85 57.26 3pva n ARG 34 Cb 0.54 -1.93 0.01 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 0.13 -4.80 0.12 0.55 5.03 0.13 -4.79 115.26 111.65 3pva n ASN 35 Ca 0.12 -0.24 -0.21 0.00 0.87 0.00 0.00 54.58 55.11 3pva n ASN 35 Cb 0.45 -3.94 -0.15 0.00 -1.02 0.00 0.00 39.78 35.12 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 -0.94 0.79 0.00 3.10 3.20 -1.72 -3.45 116.97 117.94 3pva h TYR 36 Ca -0.45 -0.57 0.00 0.00 3.14 0.00 0.00 58.73 60.84 3pva h TYR 36 Cb 1.31 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.55 3pva h TYR 36 CO 0.61 1.48 0.00 0.41 -1.64 0.00 0.00 178.16 179.02 3pva n GLY 37 N 1.67 -1.41 3.12 1.82 0.00 -1.26 -4.93 105.19 104.20 3pva n GLY 37 Ca -0.15 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.78 1.53 0.84 -0.61 -1.09 0.31 -4.89 121.20 116.52 3pva s ILE 38 Ca 0.00 -0.73 -0.12 0.00 -2.23 0.00 0.00 60.65 57.58 3pva s ILE 38 Cb 0.00 -1.34 0.10 0.00 -1.58 0.00 0.00 42.46 39.64 3pva s ILE 38 CO 0.00 0.44 1.16 -0.13 -1.23 0.00 0.00 174.94 175.18 3pva s ARG 39 N 0.40 1.49 -0.18 2.79 1.81 -1.26 -1.10 118.95 122.89 3pva s ARG 39 Ca -0.13 1.58 0.03 0.00 -1.72 0.00 0.00 55.73 55.48 3pva s ARG 39 Cb -0.16 -1.78 -0.13 0.00 -0.45 0.00 0.00 34.95 32.44 3pva s ARG 39 CO 0.05 -2.29 -0.13 -0.11 -0.68 0.00 0.00 175.30 172.14 3pva n LEU 40 N -3.70 2.53 -4.22 2.53 7.94 -1.21 -4.82 117.00 116.05 3pva n LEU 40 Ca 0.12 -0.08 -0.20 0.00 -1.11 0.00 0.00 56.01 54.74 3pva n LEU 40 Cb 0.52 -0.49 -0.12 0.00 0.53 0.00 0.00 43.42 43.85 3pva n LEU 40 CO 0.49 0.74 -0.48 -0.76 -1.11 0.00 0.00 177.39 176.28 3pva s LEU 41 N -5.92 2.30 0.26 -1.96 1.02 -1.26 -0.67 118.68 112.45 3pva s LEU 41 Ca -0.22 -0.66 0.23 0.00 0.02 0.00 0.00 54.13 53.50 3pva s LEU 41 Cb 0.06 -0.64 0.20 0.00 0.02 0.00 0.00 46.19 45.83 3pva s LEU 41 CO 0.45 -0.04 1.29 -0.08 0.02 0.00 0.00 176.35 177.99 3pva h GLU 42 N 4.12 0.00 -0.57 1.70 4.57 -1.94 -3.31 114.58 119.16 3pva h GLU 42 Ca -0.42 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3pva h GLU 42 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 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 -2.69 2.91 -4.19 1.92 5.02 -1.26 -4.91 118.16 114.96 3pva n LYS 43 Ca 0.02 -2.47 -0.17 0.00 -2.02 0.00 0.00 58.31 53.67 3pva n LYS 43 Cb 0.52 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.16 0.72 -0.06 1.97 2.02 -1.25 -5.06 118.70 115.89 3pva s GLU 44 Ca 0.39 -0.76 0.21 0.00 0.02 0.00 0.00 54.97 54.83 3pva s GLU 44 Cb 0.22 -0.65 0.69 0.00 0.10 0.00 0.00 34.13 34.49 3pva s GLU 44 CO 0.25 0.15 1.59 0.27 0.02 0.00 0.00 175.26 177.54 3pva n ASN 45 N 1.67 4.39 -4.70 -0.19 0.23 -1.26 -4.57 115.26 110.84 3pva n ASN 45 Ca -0.20 -2.22 -0.42 0.00 -0.53 0.00 0.00 54.58 51.20 3pva n ASN 45 Cb 0.55 -0.54 -0.03 0.00 -2.08 0.00 0.00 39.78 37.68 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 -1.43 2.97 -0.17 3.53 1.01 -1.26 -4.99 120.40 120.06 3pva s VAL 46 Ca 0.51 0.52 -0.00 0.00 0.00 0.00 0.00 61.98 63.00 3pva s VAL 46 Cb 0.30 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 3pva s VAL 46 CO 0.29 0.01 -0.14 -0.69 0.00 0.00 0.00 175.10 174.57 3pva s VAL 47 N 2.19 2.71 -0.14 2.92 1.01 -1.26 -3.29 120.40 124.54 3pva s VAL 47 Ca 0.72 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 3pva s VAL 47 Cb -0.40 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3pva s VAL 47 CO 0.32 0.51 0.48 -0.63 0.00 0.00 0.00 175.10 175.77 3pva s ILE 48 N 0.94 5.17 0.02 2.22 -1.09 -0.26 -4.85 121.20 123.35 3pva s ILE 48 Ca -0.03 0.95 -0.30 0.00 -2.23 0.00 0.00 60.65 59.04 3pva s ILE 48 Cb -0.15 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 3pva s ILE 48 CO -0.02 0.30 1.07 0.21 -1.23 0.00 0.00 174.94 175.27 3pva s ASN 49 N 0.73 7.25 -0.15 3.58 3.84 -1.26 -0.53 114.94 128.39 3pva s ASN 49 Ca 0.25 1.79 -0.21 0.00 0.21 0.00 0.00 52.86 54.90 3pva s ASN 49 Cb -0.15 -2.57 -0.03 0.00 -0.55 0.00 0.00 41.25 37.95 3pva s ASN 49 CO 0.10 -0.36 0.62 0.54 -2.79 0.00 0.00 177.10 175.22 3pva s ASN 50 N 1.05 6.76 0.17 -4.21 4.22 -1.26 -4.90 114.94 116.76 3pva s ASN 50 Ca 0.54 0.92 -0.12 0.00 -2.14 0.00 0.00 52.86 52.06 3pva s ASN 50 Cb -0.24 -2.35 0.06 0.00 1.28 0.00 0.00 41.25 40.00 3pva s ASN 50 CO 0.28 -0.19 1.70 0.28 -2.04 0.00 0.00 177.10 177.13 3pva h SER 51 N 7.18 0.84 -3.45 3.54 0.02 -1.68 0.38 113.55 120.38 3pva h SER 51 Ca -0.35 -0.20 -0.66 0.00 -0.84 0.00 0.00 61.79 59.74 3pva h SER 51 Cb 1.16 -0.22 -0.14 0.00 0.14 0.00 0.00 62.40 63.34 3pva h SER 51 CO 0.77 0.82 -0.69 -0.31 -1.14 0.00 0.00 176.83 176.28 3pva s TYR 52 N -5.43 2.92 0.38 3.45 2.02 0.45 -4.56 117.35 116.57 3pva s TYR 52 Ca -0.13 -0.05 -0.22 0.00 -0.37 0.00 0.00 57.07 56.31 3pva s TYR 52 Cb 0.13 -1.54 -0.10 0.00 -0.40 0.00 0.00 41.96 40.04 3pva s TYR 52 CO 0.80 0.45 0.92 0.00 -1.57 0.00 0.00 175.55 176.15 3pva s ALA 53 N -1.21 3.14 0.03 3.71 0.00 -1.26 -4.38 121.76 121.79 3pva s ALA 53 Ca 0.22 0.40 -0.20 0.00 0.00 0.00 0.00 51.96 52.39 3pva s ALA 53 Cb -0.11 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 19.93 3pva s ALA 53 CO 0.14 0.17 0.45 -0.59 0.00 0.00 0.00 175.76 175.94 3pva s PHE 54 N -1.95 -0.33 0.02 0.00 -0.12 0.67 -1.82 117.98 114.45 3pva s PHE 54 Ca 0.57 0.36 0.06 0.00 -0.05 0.00 0.00 56.93 57.87 3pva s PHE 54 Cb -0.13 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.50 3pva s PHE 54 CO 0.17 -0.58 -0.18 0.54 -0.05 0.00 0.00 175.22 175.12 3pva s VAL 55 N -2.27 1.45 0.00 -2.49 0.11 -0.07 -0.13 120.40 116.99 3pva s VAL 55 Ca -0.06 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 57.99 3pva s VAL 55 Cb -0.01 -1.25 0.00 0.00 -1.53 0.00 0.00 36.38 33.59 3pva s VAL 55 CO -0.01 0.23 0.00 0.61 -3.33 0.00 0.00 175.10 172.60 3pva n GLY 56 N 2.15 0.57 3.82 6.54 0.00 -0.90 -1.14 105.19 116.22 3pva n GLY 56 Ca -0.16 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.87 3.80 0.00 1.61 -2.45 -1.19 -1.19 119.30 119.01 3pva s MET 57 Ca 0.00 -0.08 0.00 0.00 -1.25 0.00 0.00 55.69 54.36 3pva s MET 57 Cb 0.00 -3.29 0.00 0.00 1.25 0.00 0.00 34.83 32.79 3pva s MET 57 CO 0.00 0.57 0.00 0.41 1.05 0.00 0.00 175.02 177.05 3pva n GLY 58 N 2.57 1.71 3.32 2.11 0.00 -1.03 0.06 105.19 113.93 3pva n GLY 58 Ca -0.17 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.38 2.82 -0.15 1.61 0.15 0.69 -2.26 113.70 116.19 3pva s SER 59 Ca 0.00 -0.69 0.18 0.00 0.70 0.00 0.00 55.95 56.14 3pva s SER 59 Cb 0.00 -0.18 0.38 0.00 -1.71 0.00 0.00 66.02 64.52 3pva s SER 59 CO 0.00 0.11 1.26 0.35 1.20 0.00 0.00 173.24 176.16 3pva n THR 60 N 1.11 2.04 0.61 6.45 -2.24 -1.26 -0.01 114.28 120.98 3pva n THR 60 Ca -0.19 -2.11 0.13 0.00 -2.27 0.00 0.00 64.05 59.61 3pva n THR 60 Cb 0.53 -0.24 0.36 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.07 0.82 -3.13 3.42 8.00 -1.26 -4.86 116.55 118.48 3pva n ASP 61 Ca 0.18 0.51 -0.12 0.00 0.71 0.00 0.00 54.79 56.07 3pva n ASP 61 Cb 0.74 -0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 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 0.06 0.53 -5.35 -1.26 -5.02 119.36 106.06 3pva n ILE 62 Ca 0.05 -0.95 -0.15 0.00 -0.27 0.00 0.00 62.75 61.43 3pva n ILE 62 Cb 0.43 -0.01 -0.09 0.00 -1.74 0.00 0.00 39.64 38.23 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 0.89 0.00 -2.47 7.28 2.02 -1.96 -3.42 112.91 115.24 3pva h THR 63 Ca -0.16 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.49 3pva h THR 63 Cb 0.53 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 3pva h THR 63 CO 0.26 0.00 -0.49 -0.44 0.37 0.00 0.00 175.52 175.22 3pva s SER 64 N -4.53 6.00 0.25 4.18 0.01 -1.26 -4.99 113.70 113.35 3pva s SER 64 Ca -0.15 0.01 -0.31 0.00 1.31 0.00 0.00 55.95 56.81 3pva s SER 64 Cb 0.06 -1.70 -0.12 0.00 0.21 0.00 0.00 66.02 64.46 3pva s SER 64 CO 0.55 0.02 1.59 -2.65 0.41 0.00 0.00 173.24 173.16 3pva n PRO 65 N -0.75 2.53 -3.58 12.44 -0.02 -1.26 -4.86 135.00 139.49 3pva n PRO 65 Ca -0.08 0.90 -0.38 0.00 -2.02 0.00 0.00 63.50 61.92 3pva n PRO 65 Cb 0.55 -2.68 -0.11 0.00 -0.02 0.00 0.00 33.50 31.25 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 0.38 5.30 -0.10 -1.45 1.01 0.99 -4.82 120.40 121.71 3pva s VAL 66 Ca 0.69 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.79 3pva s VAL 66 Cb -0.55 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3pva s VAL 66 CO 0.43 0.22 -0.02 -0.76 0.00 0.00 0.00 175.10 174.97 3pva s LEU 67 N 1.76 3.43 0.00 3.92 1.02 -1.26 -0.22 118.68 127.34 3pva s LEU 67 Ca 0.07 0.04 -0.01 0.00 0.02 0.00 0.00 54.13 54.25 3pva s LEU 67 Cb -0.16 -1.79 -0.27 0.00 0.02 0.00 0.00 46.19 43.99 3pva s LEU 67 CO 0.11 0.31 0.85 1.88 0.02 0.00 0.00 176.35 179.52 3pva h TYR 68 N 5.64 0.38 -2.75 0.29 0.05 -0.75 -3.42 116.97 116.41 3pva h TYR 68 Ca -0.45 -0.28 0.09 0.00 0.05 0.00 0.00 58.73 58.14 3pva h TYR 68 Cb 1.19 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.88 3pva h TYR 68 CO 0.59 1.34 0.38 0.16 -1.05 0.00 0.00 178.16 179.58 3pva s ASP 69 N -6.88 -0.09 0.00 3.88 1.47 -1.23 0.21 116.67 114.03 3pva s ASP 69 Ca -0.08 -0.76 0.00 0.00 1.18 0.00 0.00 52.55 52.88 3pva s ASP 69 Cb 0.07 0.67 0.00 0.00 -0.34 0.00 0.00 42.92 43.32 3pva s ASP 69 CO 0.84 -1.29 0.00 0.61 0.68 0.00 0.00 175.17 176.02 3pva n GLY 70 N -0.54 1.62 3.40 2.12 0.00 -0.72 -3.14 105.19 107.93 3pva n GLY 70 Ca -0.06 -1.30 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 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 2.17 0.64 1.61 1.01 -0.29 -2.14 120.40 121.46 3pva s VAL 71 Ca 0.00 -2.15 0.01 0.00 0.00 0.00 0.00 61.98 59.84 3pva s VAL 71 Cb 0.00 -2.10 0.09 0.00 0.00 0.00 0.00 36.38 34.37 3pva s VAL 71 CO 0.00 -0.32 0.89 0.20 0.00 0.00 0.00 175.10 175.87 3pva s ASN 72 N -3.03 4.77 0.10 3.32 0.02 -0.79 -0.89 114.94 118.44 3pva s ASN 72 Ca 0.23 -0.28 0.25 0.00 -1.02 0.00 0.00 52.86 52.04 3pva s ASN 72 Cb -0.05 -0.30 0.59 0.00 0.02 0.00 0.00 41.25 41.50 3pva s ASN 72 CO 0.10 -1.54 1.52 -1.84 0.02 0.00 0.00 177.10 175.36 3pva n GLU 73 N -2.59 0.20 0.00 -0.60 0.28 -0.76 -2.94 120.64 114.24 3pva n GLU 73 Ca 0.12 0.09 0.11 0.00 -0.16 0.00 0.00 57.16 57.33 3pva n GLU 73 Cb 0.60 -1.66 0.12 0.00 1.43 0.00 0.00 31.44 31.94 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 -1.96 0.03 -0.12 3.44 4.01 -1.26 -4.98 118.16 117.32 3pva n LYS 74 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 3pva n LYS 74 Cb 0.41 -1.51 0.00 0.00 -0.51 0.00 0.00 35.03 33.41 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 1.48 0.55 3.73 0.72 0.00 -1.15 -4.73 105.19 105.79 3pva n GLY 75 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3pva n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3pva s LEU 76 N 0.00 4.48 0.18 0.99 2.96 -1.26 -3.11 118.68 122.92 3pva s LEU 76 Ca 0.00 1.86 0.11 0.00 -0.22 0.00 0.00 54.13 55.88 3pva s LEU 76 Cb 0.00 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 3pva s LEU 76 CO 0.00 -0.13 -0.24 -0.04 -1.32 0.00 0.00 176.35 174.62 3pva s MET 77 N 0.05 1.53 0.03 1.98 -1.94 0.12 -1.88 119.30 119.19 3pva s MET 77 Ca 0.48 -1.47 -0.29 0.00 -1.71 0.00 0.00 55.69 52.71 3pva s MET 77 Cb -0.25 -1.88 0.11 0.00 2.01 0.00 0.00 34.83 34.82 3pva s MET 77 CO 0.31 0.41 1.20 0.20 -0.01 0.00 0.00 175.02 177.13 3pva s GLY 78 N -2.55 -0.34 0.02 -0.03 0.00 -0.91 0.21 107.32 103.70 3pva s GLY 78 Ca 0.20 0.50 -0.27 0.00 0.00 0.00 0.00 44.72 45.15 3pva s GLY 78 CO 0.09 0.39 0.62 0.00 0.00 0.00 0.00 173.10 174.20 3pva s ALA 79 N -2.60 -1.62 -0.12 3.20 0.00 -0.70 -1.75 121.76 118.16 3pva s ALA 79 Ca 0.15 0.97 -0.16 0.00 0.00 0.00 0.00 51.96 52.92 3pva s ALA 79 Cb 0.03 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 3pva s ALA 79 CO -0.02 -0.48 0.39 -1.64 0.00 0.00 0.00 175.76 174.00 3pva s MET 80 N -2.01 4.24 0.09 0.00 -1.94 0.13 -2.32 119.30 117.50 3pva s MET 80 Ca -0.07 0.29 0.04 0.00 -1.71 0.00 0.00 55.69 54.23 3pva s MET 80 Cb -0.01 -3.40 -0.03 0.00 2.01 0.00 0.00 34.83 33.40 3pva s MET 80 CO 0.02 0.26 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.68 3pva s LEU 81 N 0.33 2.38 0.70 -0.03 1.02 -0.62 -4.91 118.68 117.56 3pva s LEU 81 Ca 0.21 -0.78 -0.16 0.00 0.02 0.00 0.00 54.13 53.42 3pva s LEU 81 Cb -0.14 -0.35 0.02 0.00 0.02 0.00 0.00 46.19 45.74 3pva s LEU 81 CO 0.08 -0.23 1.27 -0.31 0.02 0.00 0.00 176.35 177.18 3pva s TYR 82 N -2.24 1.98 -0.40 0.29 1.51 -1.26 -0.13 117.35 117.11 3pva s TYR 82 Ca 0.04 1.54 0.11 0.00 -1.01 0.00 0.00 57.07 57.75 3pva s TYR 82 Cb -0.04 -3.63 0.36 0.00 -0.11 0.00 0.00 41.96 38.54 3pva s TYR 82 CO 0.01 -2.91 0.98 0.98 -1.11 0.00 0.00 175.55 173.50 3pva n TYR 83 N -2.36 -1.04 -1.72 2.71 9.36 0.84 -4.24 117.16 120.71 3pva n TYR 83 Ca 0.15 -2.84 -0.41 0.00 3.32 0.00 0.00 57.90 58.12 3pva n TYR 83 Cb 0.49 0.54 0.00 0.00 -0.63 0.00 0.00 39.34 39.74 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 0.13 1.59 -0.26 2.98 0.00 -1.26 -1.73 120.51 121.96 3pva n ALA 84 Ca 0.12 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3pva n ALA 84 Cb 0.72 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 0.11 0.00 0.00 0.00 -1.04 -1.26 -4.66 114.28 107.43 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 0.38 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 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 -1.70 -1.42 3.72 -1.00 -5.03 117.46 110.03 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 n ALA 87 N -2.42 2.43 -3.67 4.37 0.00 -0.71 -4.07 120.51 116.45 3pva n ALA 87 Ca 0.00 0.36 -0.26 0.00 0.00 0.00 0.00 53.44 53.54 3pva n ALA 87 Cb 0.44 -2.55 -0.17 0.00 0.00 0.00 0.00 19.45 17.18 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 1.97 1.17 0.07 0.00 2.01 0.21 -4.93 115.64 116.14 3pva s THR 88 Ca 0.79 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 62.41 3pva s THR 88 Cb -0.50 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 3pva s THR 88 CO 0.35 0.38 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.20 3pva s TYR 89 N 1.10 2.63 0.75 4.92 2.02 -1.26 -4.57 117.35 122.94 3pva s TYR 89 Ca -0.06 -0.21 -0.12 0.00 -0.37 0.00 0.00 57.07 56.32 3pva s TYR 89 Cb -0.14 -1.44 0.04 0.00 -0.40 0.00 0.00 41.96 40.02 3pva s TYR 89 CO -0.02 0.35 1.12 0.00 -1.57 0.00 0.00 175.55 175.43 3pva s ALA 90 N -1.07 2.75 -0.11 3.71 0.00 -0.93 -4.53 121.76 121.58 3pva s ALA 90 Ca 0.18 -0.43 -0.13 0.00 0.00 0.00 0.00 51.96 51.58 3pva s ALA 90 Cb -0.11 -3.01 -0.27 0.00 0.00 0.00 0.00 23.12 19.73 3pva s ALA 90 CO 0.09 -1.37 0.49 -0.44 0.00 0.00 0.00 175.76 174.53 3pva h ASP 91 N -0.83 0.41 -4.01 0.00 3.32 -1.96 -1.02 116.42 112.33 3pva h ASP 91 Ca -0.46 -0.87 -0.52 0.00 0.02 0.00 0.00 57.03 55.20 3pva h ASP 91 Cb 1.28 -0.13 -0.20 0.00 0.22 0.00 0.00 39.33 40.49 3pva h ASP 91 CO 0.64 1.72 -0.80 -1.61 -1.72 0.00 0.00 179.24 177.47 3pva s GLU 92 N -2.51 1.13 0.63 3.56 0.41 -1.26 -4.75 118.70 115.90 3pva s GLU 92 Ca -0.21 -1.22 -0.19 0.00 -0.41 0.00 0.00 54.97 52.94 3pva s GLU 92 Cb 0.05 -1.27 -0.02 0.00 -1.78 0.00 0.00 34.13 31.12 3pva s GLU 92 CO 0.77 0.28 1.30 -2.30 -0.49 0.00 0.00 175.26 174.82 3pva n PRO 93 N 0.81 1.22 -1.75 0.39 -0.02 -1.26 -4.97 135.00 129.43 3pva n PRO 93 Ca -0.17 0.47 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 3pva n PRO 93 Cb 0.55 -2.54 0.05 0.00 -0.02 0.00 0.00 33.50 31.54 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 -3.27 2.79 -0.31 -0.52 -0.14 -1.26 -4.86 119.74 112.17 3pva s LYS 94 Ca 0.81 1.40 -0.39 0.00 -1.36 0.00 0.00 55.97 56.42 3pva s LYS 94 Cb -0.39 -1.95 -0.15 0.00 -1.68 0.00 0.00 37.83 33.66 3pva s LYS 94 CO 0.42 -1.26 1.86 0.36 -0.76 0.00 0.00 175.35 175.97 3pva n LYS 95 N -2.42 1.08 0.00 1.68 0.00 -1.26 -2.19 118.16 115.05 3pva n LYS 95 Ca 0.10 0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.79 3pva n LYS 95 Cb 0.52 -2.14 0.00 0.00 -0.00 0.00 0.00 35.03 33.41 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 4.88 3.06 3.73 2.58 0.00 -1.26 -5.05 105.19 113.12 3pva n GLY 96 Ca 0.31 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.43 2.70 0.10 2.61 -4.23 -0.93 -5.01 115.64 110.45 3pva s THR 97 Ca 0.00 0.23 0.04 0.00 -1.18 0.00 0.00 61.69 60.78 3pva s THR 97 Cb 0.00 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 3pva s THR 97 CO 0.00 -0.30 0.05 -0.89 -0.54 0.00 0.00 174.62 172.94 3pva s THR 98 N -2.95 4.23 0.49 3.99 2.01 -0.13 -4.68 115.64 118.61 3pva s THR 98 Ca 0.63 -0.96 -0.20 0.00 0.31 0.00 0.00 61.69 61.47 3pva s THR 98 Cb -0.18 -3.05 -0.08 0.00 0.01 0.00 0.00 72.50 69.20 3pva s THR 98 CO 0.57 0.07 1.04 -0.83 -0.69 0.00 0.00 174.62 174.77 3pva s GLY 99 N -2.50 2.47 -0.00 4.40 0.00 -1.26 -0.79 107.32 109.63 3pva s GLY 99 Ca 0.28 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.58 3pva s GLY 99 CO 0.20 0.90 -0.01 -1.50 0.00 0.00 0.00 173.10 172.69 3pva s ILE 100 N -2.04 0.11 0.05 0.90 2.07 0.40 -4.51 121.20 118.19 3pva s ILE 100 Ca 0.67 -0.04 -0.30 0.00 -1.41 0.00 0.00 60.65 59.57 3pva s ILE 100 Cb -0.16 -0.11 -0.05 0.00 0.13 0.00 0.00 42.46 42.27 3pva s ILE 100 CO 0.21 0.04 1.13 0.21 -1.91 0.00 0.00 174.94 174.63 3pva s ASN 101 N 0.09 7.17 0.56 4.50 3.84 0.15 -1.51 114.94 129.75 3pva s ASN 101 Ca -0.01 1.93 0.28 0.00 0.21 0.00 0.00 52.86 55.27 3pva s ASN 101 Cb -0.02 -2.58 1.47 0.00 -0.55 0.00 0.00 41.25 39.58 3pva s ASN 101 CO -0.00 -0.40 1.94 -0.65 -2.79 0.00 0.00 177.10 175.20 3pva h PRO 102 N 6.69 0.00 0.00 0.43 0.11 -1.87 0.31 132.00 137.68 3pva h PRO 102 Ca -0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 3pva h PRO 102 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3pva h PRO 102 CO 0.79 0.00 -0.06 0.28 -0.21 0.00 0.00 178.00 178.80 3pva h VAL 103 N 0.00 0.15 -0.02 3.15 2.07 -1.92 -3.23 116.25 116.45 3pva h VAL 103 Ca 0.25 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3pva h VAL 103 Cb 1.16 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 3pva h VAL 103 CO -0.00 0.06 -0.22 -1.22 0.02 0.00 0.00 177.57 176.21 3pva n TYR 104 N -3.17 0.00 -0.17 1.57 4.01 0.11 -4.51 117.16 114.99 3pva n TYR 104 Ca 0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.72 3pva n TYR 104 Cb 0.37 -0.02 0.07 0.00 -0.31 0.00 0.00 39.34 39.45 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 3.08 0.88 -0.17 -0.72 2.07 -1.58 -2.01 116.25 117.80 3pva h VAL 105 Ca 0.00 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3pva h VAL 105 Cb 0.78 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3pva h VAL 105 CO 0.00 0.08 0.09 0.40 0.02 0.00 0.00 177.57 178.16 3pva h ILE 106 N 0.44 1.11 -0.34 4.57 1.08 -1.81 0.59 117.51 123.14 3pva h ILE 106 Ca 0.24 -0.32 0.03 0.00 -0.39 0.00 0.00 64.86 64.43 3pva h ILE 106 Cb 0.22 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.95 3pva h ILE 106 CO -0.21 0.11 0.15 0.28 -0.69 0.00 0.00 178.15 177.79 3pva h SER 107 N 0.16 0.21 -0.33 1.72 0.02 -1.76 0.14 113.55 113.70 3pva h SER 107 Ca 0.06 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3pva h SER 107 Cb 0.09 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3pva h SER 107 CO -0.01 0.16 0.15 1.56 -1.14 0.00 0.00 176.83 177.55 3pva h GLN 108 N 0.32 0.49 -0.22 3.45 1.08 -1.32 -0.12 115.11 118.79 3pva h GLN 108 Ca 0.15 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 3pva h GLN 108 Cb 0.08 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3pva h GLN 108 CO -0.12 0.46 0.00 0.28 -0.95 0.00 0.00 178.83 178.50 3pva h VAL 109 N 0.39 1.25 -0.47 -0.54 2.07 -0.51 -2.71 116.25 115.75 3pva h VAL 109 Ca 0.11 -0.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 3pva h VAL 109 Cb 0.15 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3pva h VAL 109 CO -0.01 0.27 -0.06 -0.07 0.02 0.00 0.00 177.57 177.72 3pva h LEU 110 N 0.15 0.79 -0.29 2.57 4.07 -0.74 0.63 115.31 122.49 3pva h LEU 110 Ca 0.06 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.81 3pva h LEU 110 Cb 0.40 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.93 3pva h LEU 110 CO 0.01 0.89 0.00 0.61 -1.08 0.00 0.00 178.44 178.87 3pva n GLY 111 N -0.52 -1.33 0.00 0.83 0.00 -0.06 -4.24 105.19 99.87 3pva n GLY 111 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3pva n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pva n ASN 112 N -1.96 0.09 -4.62 1.61 3.02 -0.81 -0.42 115.26 112.18 3pva n ASN 112 Ca 0.04 -0.44 -0.23 0.00 -0.03 0.00 0.00 54.58 53.91 3pva n ASN 112 Cb 0.27 0.16 -0.08 0.00 -0.61 0.00 0.00 39.78 39.52 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 -0.82 0.90 -3.36 0.00 0.31 -1.26 -4.76 118.33 109.33 3pva n VAL 114 Ca -0.06 -0.02 -0.20 0.00 -0.01 0.00 0.00 64.34 64.05 3pva n VAL 114 Cb 0.59 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 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 -2.28 2.48 0.31 2.52 -4.23 -1.26 -4.23 115.64 108.95 3pva s THR 115 Ca -0.16 -1.21 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 3pva s THR 115 Cb 0.05 -2.69 0.09 0.00 1.34 0.00 0.00 72.50 71.29 3pva s THR 115 CO 0.21 0.00 1.77 -0.37 -0.54 0.00 0.00 174.62 175.69 3pva h VAL 116 N 0.71 1.25 -0.65 2.29 -1.51 -1.95 -1.73 116.25 114.66 3pva h VAL 116 Ca -0.38 -1.14 -0.08 0.00 -1.23 0.00 0.00 66.70 63.87 3pva h VAL 116 Cb 1.28 1.30 -0.03 0.00 -2.13 0.00 0.00 31.29 31.72 3pva h VAL 116 CO 0.51 0.36 0.10 0.44 -1.23 0.00 0.00 177.57 177.75 3pva h ASP 117 N 0.38 1.02 -0.59 4.19 3.32 -1.98 -1.54 116.42 121.21 3pva h ASP 117 Ca 0.06 -0.24 0.06 0.00 0.02 0.00 0.00 57.03 56.93 3pva h ASP 117 Cb 0.58 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 3pva h ASP 117 CO 0.04 1.01 0.31 0.44 -1.72 0.00 0.00 179.24 179.32 3pva h ASP 118 N 1.00 0.44 0.23 6.45 3.32 -1.71 -0.50 116.42 125.65 3pva h ASP 118 Ca 0.20 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.29 3pva h ASP 118 Cb 0.43 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3pva h ASP 118 CO 0.01 0.29 -0.26 0.58 -1.72 0.00 0.00 179.24 178.14 3pva h VAL 119 N 0.58 0.44 -0.45 -1.35 2.07 -1.13 0.11 116.25 116.52 3pva h VAL 119 Ca 0.27 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.84 3pva h VAL 119 Cb 0.18 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 3pva h VAL 119 CO -0.18 0.00 0.18 0.40 0.02 0.00 0.00 177.57 177.99 3pva h ILE 120 N -0.54 0.89 0.21 4.57 2.04 -0.85 -2.53 117.51 121.30 3pva h ILE 120 Ca 0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3pva h ILE 120 Cb 0.51 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3pva h ILE 120 CO -0.08 0.07 -0.17 -0.08 0.00 0.00 0.00 178.15 177.88 3pva h GLU 121 N 0.36 -0.38 -0.87 2.37 4.81 -0.87 -3.11 114.58 116.89 3pva h GLU 121 Ca 0.21 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.59 3pva h GLU 121 Cb 0.18 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 3pva h GLU 121 CO -0.19 -0.25 0.56 0.87 -0.73 0.00 0.00 179.01 179.27 3pva h LYS 122 N -0.40 0.68 0.00 1.92 1.79 -0.39 -2.27 116.57 117.91 3pva h LYS 122 Ca -0.01 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3pva h LYS 122 Cb 0.36 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 3pva h LYS 122 CO -0.02 0.45 0.00 1.28 -1.08 0.00 0.00 179.45 180.08 3pva n LEU 123 N -4.55 0.64 0.17 2.94 4.32 -0.99 -3.26 117.00 116.27 3pva n LEU 123 Ca 0.16 0.63 0.13 0.00 -0.02 0.00 0.00 56.01 56.92 3pva n LEU 123 Cb 0.43 -0.51 0.56 0.00 -1.62 0.00 0.00 43.42 42.29 3pva n LEU 123 CO 0.30 -0.43 0.90 0.71 -1.22 0.00 0.00 177.39 177.65 3pva h THR 124 N 0.00 0.00 -0.47 -5.08 1.35 -1.46 -2.30 112.91 104.94 3pva h THR 124 Ca 0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3pva h THR 124 Cb 0.45 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 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 -2.47 3.51 -4.38 5.36 3.41 -1.20 -4.84 113.62 113.01 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 0.24 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.28 1.85 -0.08 7.33 2.02 -0.87 -0.96 117.35 125.37 3pva s TYR 126 Ca 0.39 -0.55 -0.01 0.00 -0.37 0.00 0.00 57.07 56.53 3pva s TYR 126 Cb 0.22 -0.88 0.03 0.00 -0.40 0.00 0.00 41.96 40.93 3pva s TYR 126 CO 0.30 0.41 0.01 0.99 -1.57 0.00 0.00 175.55 175.69 3pva s THR 127 N -2.90 0.38 0.01 -0.71 2.01 0.03 -4.81 115.64 109.65 3pva s THR 127 Ca 0.25 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 3pva s THR 127 Cb -0.01 -0.57 -0.06 0.00 0.01 0.00 0.00 72.50 71.88 3pva s THR 127 CO 0.09 0.22 1.40 -0.76 -0.69 0.00 0.00 174.62 174.88 3pva s LEU 128 N 1.97 4.32 0.22 4.42 1.02 -1.26 -0.45 118.68 128.92 3pva s LEU 128 Ca 0.05 2.13 0.08 0.00 0.02 0.00 0.00 54.13 56.40 3pva s LEU 128 Cb -0.13 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 3pva s LEU 128 CO -0.05 -0.71 0.04 -0.76 0.02 0.00 0.00 176.35 174.88 3pva s LEU 129 N 2.31 3.38 -1.51 1.79 1.43 -0.57 -2.19 118.68 123.33 3pva s LEU 129 Ca 0.64 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 53.19 3pva s LEU 129 Cb -0.32 -1.96 -0.08 0.00 0.03 0.00 0.00 46.19 43.87 3pva s LEU 129 CO 0.27 0.03 2.80 -3.20 0.23 0.00 0.00 176.35 176.48 3pva n ASN 130 N -0.61 7.98 -4.65 2.29 2.85 -0.39 -4.31 115.26 118.42 3pva n ASN 130 Ca -0.08 -2.54 -0.36 0.00 -0.11 0.00 0.00 54.58 51.49 3pva n ASN 130 Cb 0.57 -1.49 -0.10 0.00 1.24 0.00 0.00 39.78 40.01 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 2.42 4.04 0.82 1.20 2.12 -1.26 -4.91 118.70 123.13 3pva s GLU 131 Ca 0.64 -0.29 -0.14 0.00 0.36 0.00 0.00 54.97 55.55 3pva s GLU 131 Cb 0.17 -3.48 0.19 0.00 0.26 0.00 0.00 34.13 31.27 3pva s GLU 131 CO -0.06 0.09 1.06 0.00 -0.54 0.00 0.00 175.26 175.81 3pva n ALA 132 N 4.19 -1.45 -3.10 6.30 0.00 -1.26 -4.26 120.51 120.93 3pva n ALA 132 Ca -0.15 -1.40 -0.11 0.00 0.00 0.00 0.00 53.44 51.78 3pva n ALA 132 Cb 0.52 -0.07 -0.10 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 -4.82 0.04 0.00 0.00 4.22 -1.24 -4.85 114.94 108.29 3pva s ASN 133 Ca 0.61 -0.23 0.13 0.00 -2.14 0.00 0.00 52.86 51.23 3pva s ASN 133 Cb -0.02 0.20 0.64 0.00 1.28 0.00 0.00 41.25 43.35 3pva s ASN 133 CO 0.43 -0.37 1.38 2.30 -2.04 0.00 0.00 177.10 178.81 3pva n ILE 134 N 1.45 0.81 -0.07 0.54 -5.35 -1.26 -0.17 119.36 115.31 3pva n ILE 134 Ca -0.23 0.20 -0.14 0.00 -0.27 0.00 0.00 62.75 62.32 3pva n ILE 134 Cb 0.55 -0.98 -0.12 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 1.61 0.00 7.28 1.08 -1.95 -3.39 117.51 122.14 3pva h ILE 135 Ca 0.00 -2.25 -0.20 0.00 -0.39 0.00 0.00 64.86 62.02 3pva h ILE 135 Cb 0.17 3.08 -0.04 0.00 -3.07 0.00 0.00 36.82 36.96 3pva h ILE 135 CO 0.00 0.55 -1.90 0.18 -0.69 0.00 0.00 178.15 176.28 3pva n LEU 136 N -4.60 0.35 0.00 1.44 4.32 -1.20 -4.98 117.00 112.32 3pva n LEU 136 Ca -0.11 0.16 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 3pva n LEU 136 Cb 0.47 0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.48 3pva n LEU 136 CO 0.31 0.24 0.00 0.61 -1.22 0.00 0.00 177.39 177.32 3pva n GLY 137 N 1.49 0.86 3.61 -0.72 0.00 0.77 -5.00 105.19 106.19 3pva n GLY 137 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 3pva n GLY 137 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3pva s PHE 138 N -2.64 0.31 -0.45 1.61 -0.12 -1.24 -4.69 117.98 110.77 3pva s PHE 138 Ca 0.00 -0.68 -0.24 0.00 -0.05 0.00 0.00 56.93 55.96 3pva s PHE 138 Cb 0.00 0.23 0.03 0.00 -0.63 0.00 0.00 43.02 42.65 3pva s PHE 138 CO 0.00 -1.01 0.82 0.00 -0.05 0.00 0.00 175.22 174.98 3pva s ALA 139 N -4.01 3.28 0.43 1.99 0.00 -1.26 -3.73 121.76 118.47 3pva s ALA 139 Ca 0.21 -0.93 -0.26 0.00 0.00 0.00 0.00 51.96 50.98 3pva s ALA 139 Cb -0.01 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 3pva s ALA 139 CO 0.09 -1.94 1.42 -1.25 0.00 0.00 0.00 175.76 174.08 3pva s PRO 140 N 3.39 3.79 -0.36 0.00 0.04 -1.26 -4.94 135.00 135.66 3pva s PRO 140 Ca 0.32 2.41 -0.29 0.00 0.04 0.00 0.00 61.00 63.47 3pva s PRO 140 Cb -0.12 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.71 3pva s PRO 140 CO 0.23 -0.73 1.47 -1.25 0.04 0.00 0.00 177.00 176.76 3pva s PRO 141 N -2.36 3.62 0.12 0.56 0.04 -1.26 -4.94 135.00 130.78 3pva s PRO 141 Ca 0.59 1.13 0.05 0.00 0.04 0.00 0.00 61.00 62.81 3pva s PRO 141 Cb -0.43 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.04 3pva s PRO 141 CO 0.56 -1.50 -0.12 -0.51 0.04 0.00 0.00 177.00 175.47 3pva s LEU 142 N 5.43 2.43 0.29 -3.56 1.02 -1.26 -0.11 118.68 122.93 3pva s LEU 142 Ca 0.64 -0.86 0.05 0.00 0.02 0.00 0.00 54.13 53.98 3pva s LEU 142 Cb -0.16 -0.45 -0.06 0.00 0.02 0.00 0.00 46.19 45.54 3pva s LEU 142 CO 0.31 -0.21 0.00 -1.38 0.02 0.00 0.00 176.35 175.09 3pva s HIS 143 N -2.48 1.92 0.09 0.29 -3.43 0.82 -4.48 115.29 108.01 3pva s HIS 143 Ca 0.10 -0.84 0.06 0.00 -0.80 0.00 0.00 55.06 53.58 3pva s HIS 143 Cb -0.03 -1.18 -0.03 0.00 -1.43 0.00 0.00 32.58 29.91 3pva s HIS 143 CO 0.02 0.13 -0.15 0.71 -2.00 0.00 0.00 174.74 173.45 3pva s TYR 144 N -3.18 1.31 -0.00 0.38 2.02 -0.14 -1.58 117.35 116.16 3pva s TYR 144 Ca 0.32 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.55 3pva s TYR 144 Cb 0.06 -0.72 -0.00 0.00 -0.40 0.00 0.00 41.96 40.90 3pva s TYR 144 CO 0.13 0.09 -0.06 -0.08 -1.57 0.00 0.00 175.55 174.06 3pva s THR 145 N -1.57 0.47 0.02 -0.71 -1.32 -0.98 -0.69 115.64 110.86 3pva s THR 145 Ca 0.02 -0.27 0.01 0.00 -1.21 0.00 0.00 61.69 60.24 3pva s THR 145 Cb -0.08 -0.40 -0.01 0.00 -1.51 0.00 0.00 72.50 70.50 3pva s THR 145 CO 0.03 0.12 -0.05 -0.36 -2.21 0.00 0.00 174.62 172.15 3pva s PHE 146 N -0.17 0.44 -0.04 9.09 0.08 -1.04 -1.73 117.98 124.61 3pva s PHE 146 Ca 0.02 -0.28 -0.02 0.00 0.12 0.00 0.00 56.93 56.77 3pva s PHE 146 Cb -0.02 -0.28 0.03 0.00 -0.57 0.00 0.00 43.02 42.18 3pva s PHE 146 CO -0.00 -0.06 0.06 0.99 -0.10 0.00 0.00 175.22 176.11 3pva s THR 147 N -0.72 -0.12 1.04 0.64 2.01 0.13 -1.46 115.64 117.16 3pva s THR 147 Ca -0.05 0.40 -0.12 0.00 0.31 0.00 0.00 61.69 62.24 3pva s THR 147 Cb -0.06 -0.15 0.21 0.00 0.01 0.00 0.00 72.50 72.51 3pva s THR 147 CO -0.00 0.17 1.07 -1.81 -0.69 0.00 0.00 174.62 173.36 3pva s ASP 148 N 2.07 2.07 0.37 3.53 1.01 -0.73 0.11 116.67 125.10 3pva s ASP 148 Ca 0.03 1.67 0.11 0.00 0.71 0.00 0.00 52.55 55.08 3pva s ASP 148 Cb -0.12 -2.33 0.73 0.00 1.01 0.00 0.00 42.92 42.22 3pva s ASP 148 CO -0.03 -3.55 1.85 0.00 0.21 0.00 0.00 175.17 173.65 3pva h ALA 149 N -2.18 1.41 0.00 5.23 0.00 -1.82 0.41 119.26 122.32 3pva h ALA 149 Ca -0.54 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.06 3pva h ALA 149 Cb 1.31 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3pva h ALA 149 CO 0.49 0.43 -0.05 0.66 0.00 0.00 0.00 179.25 180.78 3pva h SER 150 N 0.07 0.00 0.00 0.00 4.64 -1.92 -3.41 113.55 112.93 3pva h SER 150 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3pva h SER 150 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3pva h SER 150 CO 0.04 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3pva n GLY 151 N -0.20 0.56 3.72 -0.77 0.00 0.13 -5.03 105.19 103.60 3pva n GLY 151 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3pva n GLY 151 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pva s GLU 152 N -0.94 4.58 0.02 1.61 2.12 -1.26 -4.83 118.70 120.00 3pva s GLU 152 Ca 0.00 1.57 0.09 0.00 0.36 0.00 0.00 54.97 56.99 3pva s GLU 152 Cb 0.00 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 3pva s GLU 152 CO 0.00 0.01 -0.25 -1.12 -0.54 0.00 0.00 175.26 173.36 3pva s SER 153 N 0.48 3.03 0.28 -1.70 0.01 -1.26 -1.77 113.70 112.76 3pva s SER 153 Ca 0.51 -0.54 0.03 0.00 1.31 0.00 0.00 55.95 57.26 3pva s SER 153 Cb -0.25 -0.29 -0.06 0.00 0.21 0.00 0.00 66.02 65.63 3pva s SER 153 CO 0.30 0.27 0.05 0.27 0.41 0.00 0.00 173.24 174.54 3pva s ILE 154 N -0.73 0.94 -0.05 1.44 -4.36 -0.54 -2.25 121.20 115.66 3pva s ILE 154 Ca 0.11 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 3pva s ILE 154 Cb -0.10 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 41.02 3pva s ILE 154 CO 0.01 -0.10 -0.05 -0.69 0.24 0.00 0.00 174.94 174.35 3pva s VAL 155 N -3.48 0.60 -0.17 8.37 1.01 -0.85 -2.50 120.40 123.38 3pva s VAL 155 Ca 0.35 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 3pva s VAL 155 Cb 0.08 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3pva s VAL 155 CO 0.13 0.24 -0.16 -0.63 0.00 0.00 0.00 175.10 174.68 3pva s ILE 156 N 0.86 2.51 -0.16 2.22 1.01 0.13 -0.94 121.20 126.84 3pva s ILE 156 Ca -0.12 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.74 3pva s ILE 156 Cb -0.15 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.27 3pva s ILE 156 CO 0.01 0.51 -0.20 -1.61 0.00 0.00 0.00 174.94 173.65 3pva s GLU 157 N 1.12 2.89 -1.21 2.79 2.02 0.60 -0.96 118.70 125.95 3pva s GLU 157 Ca 0.00 -0.80 -0.20 0.00 0.02 0.00 0.00 54.97 54.00 3pva s GLU 157 Cb -0.14 -2.46 0.06 0.00 0.10 0.00 0.00 34.13 31.69 3pva s GLU 157 CO -0.06 -0.16 1.66 -1.25 0.02 0.00 0.00 175.26 175.47 3pva s PRO 158 N 1.18 3.82 0.79 0.39 0.04 -1.26 0.29 135.00 140.25 3pva s PRO 158 Ca 0.02 -1.69 -0.10 0.00 0.04 0.00 0.00 61.00 59.26 3pva s PRO 158 Cb -0.14 -5.47 0.10 0.00 0.04 0.00 0.00 34.50 29.03 3pva s PRO 158 CO -0.10 -2.29 1.12 -0.51 0.04 0.00 0.00 177.00 175.27 3pva s ASP 159 N 4.54 4.38 0.28 6.66 1.01 -0.67 0.65 116.67 133.52 3pva s ASP 159 Ca 0.52 0.48 -0.02 0.00 0.71 0.00 0.00 52.55 54.24 3pva s ASP 159 Cb 0.03 -0.95 0.43 0.00 1.01 0.00 0.00 42.92 43.44 3pva s ASP 159 CO 0.02 -1.92 1.92 0.50 0.21 0.00 0.00 175.17 175.90 3pva h LYS 160 N -0.93 1.12 -0.24 8.23 3.64 -1.88 0.26 116.57 126.76 3pva h LYS 160 Ca -0.44 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3pva h LYS 160 Cb 1.30 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3pva h LYS 160 CO 0.57 0.74 0.00 0.25 -2.27 0.00 0.00 179.45 178.74 3pva n THR 161 N -4.46 0.32 0.00 1.00 -2.24 -1.26 -5.02 114.28 102.63 3pva n THR 161 Ca 0.13 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3pva n THR 161 Cb 0.13 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.92 1.49 3.70 3.38 0.00 0.08 -4.98 105.19 109.78 3pva n GLY 162 Ca 0.09 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.47 0.10 -4.41 -0.61 2.08 -1.26 -1.68 119.36 113.12 3pva n ILE 163 Ca 0.00 -0.02 -0.34 0.00 0.56 0.00 0.00 62.75 62.95 3pva n ILE 163 Cb 0.00 -1.90 -0.12 0.00 -0.75 0.00 0.00 39.64 36.87 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 1.56 3.82 -0.12 1.39 2.01 0.15 -4.90 115.64 119.55 3pva s THR 164 Ca 0.78 -0.38 -0.02 0.00 0.31 0.00 0.00 61.69 62.38 3pva s THR 164 Cb -0.55 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 3pva s THR 164 CO 0.36 0.49 -0.04 -0.63 -0.69 0.00 0.00 174.62 174.11 3pva s ILE 165 N 0.41 3.94 -0.21 1.82 -1.09 -1.26 -0.29 121.20 124.51 3pva s ILE 165 Ca -0.04 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 3pva s ILE 165 Cb -0.14 -2.68 0.03 0.00 -1.58 0.00 0.00 42.46 38.08 3pva s ILE 165 CO 0.03 0.55 -0.13 -1.00 -1.23 0.00 0.00 174.94 173.15 3pva s HIS 166 N -0.22 2.95 0.07 3.97 3.76 -0.11 -4.99 115.29 120.72 3pva s HIS 166 Ca 0.04 -1.67 -0.05 0.00 -0.15 0.00 0.00 55.06 53.23 3pva s HIS 166 Cb -0.13 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.54 3pva s HIS 166 CO 0.02 -0.78 0.30 1.03 -0.85 0.00 0.00 174.74 174.47 3pva s ARG 167 N 1.28 3.58 -0.19 1.40 0.52 -1.26 -2.02 118.95 122.27 3pva s ARG 167 Ca 0.01 -0.14 -0.12 0.00 -0.52 0.00 0.00 55.73 54.97 3pva s ARG 167 Cb -0.15 -2.98 0.02 0.00 0.52 0.00 0.00 34.95 32.35 3pva s ARG 167 CO -0.09 0.57 0.24 0.36 0.02 0.00 0.00 175.30 176.40 3pva n LYS 168 N 0.57 -0.68 -1.42 3.54 2.85 -0.96 -4.96 118.16 117.11 3pva n LYS 168 Ca -0.07 0.48 -0.10 0.00 -1.05 0.00 0.00 58.31 57.57 3pva n LYS 168 Cb 0.52 -0.74 0.05 0.00 -0.65 0.00 0.00 35.03 34.22 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 -0.27 0.00 1.52 0.58 -2.24 -1.09 -4.98 114.28 107.80 3pva n THR 169 Ca -0.05 -0.66 0.14 0.00 -2.27 0.00 0.00 64.05 61.21 3pva n THR 169 Cb 0.25 -1.21 0.76 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.08 0.06 -2.42 2.28 -5.35 -1.26 -4.77 119.36 105.82 3pva n ILE 170 Ca 0.07 0.02 -0.02 0.00 -0.27 0.00 0.00 62.75 62.55 3pva n ILE 170 Cb 0.26 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.60 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 0.95 0.68 2.94 3.28 0.00 -1.26 -4.89 105.19 106.89 3pva n GLY 171 Ca 0.17 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.75 0.28 -0.28 1.61 1.01 -1.26 -0.91 120.40 118.10 3pva s VAL 172 Ca 0.03 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 3pva s VAL 172 Cb -0.01 -0.25 0.10 0.00 0.00 0.00 0.00 36.38 36.21 3pva s VAL 172 CO 0.04 0.04 0.78 -0.32 0.00 0.00 0.00 175.10 175.64 3pva s MET 173 N -0.20 0.62 0.00 2.72 1.75 0.17 -4.96 119.30 119.40 3pva s MET 173 Ca 0.00 1.04 0.00 0.00 -1.25 0.00 0.00 55.69 55.48 3pva s MET 173 Cb -0.02 0.14 0.00 0.00 2.84 0.00 0.00 34.83 37.79 3pva s MET 173 CO -0.00 -0.12 0.00 0.25 -0.65 0.00 0.00 175.02 174.49 3pva n THR 174 N 3.99 0.00 -2.32 10.11 -2.24 -1.26 0.32 114.28 122.87 3pva n THR 174 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3pva n THR 174 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3pva n THR 174 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3pva n ASN 175 N 0.00 0.76 -4.71 3.42 4.13 -1.26 -4.76 115.26 112.84 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 0.13 0.00 -1.54 0.00 0.00 39.78 38.37 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 0.80 3.66 0.00 6.41 0.01 -1.26 -4.78 113.70 118.55 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 -2.61 0.00 -0.81 0.41 0.00 0.00 173.24 170.23 3pva n PRO 177 N -3.77 2.78 -1.34 12.44 -0.04 -1.26 -4.33 135.00 139.48 3pva n PRO 177 Ca 0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.24 3pva n PRO 177 Cb 0.52 0.00 0.10 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 -0.13 2.10 0.16 0.55 0.00 -1.26 -4.83 107.32 103.91 3pva s GLY 178 Ca 0.00 0.68 -0.17 0.00 0.00 0.00 0.00 44.72 45.24 3pva s GLY 178 CO 0.00 1.07 1.72 -1.82 0.00 0.00 0.00 173.10 174.07 3pva h TYR 179 N -0.63 0.05 -0.88 1.90 3.20 -1.99 -1.30 116.97 117.32 3pva h TYR 179 Ca -0.46 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.50 3pva h TYR 179 Cb 1.27 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 39.51 3pva h TYR 179 CO 0.51 -0.02 0.57 1.49 -1.64 0.00 0.00 178.16 179.06 3pva h GLU 180 N 0.14 0.93 -0.01 1.82 4.81 -1.99 -0.55 114.58 119.74 3pva h GLU 180 Ca 0.17 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3pva h GLU 180 Cb 0.21 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3pva h GLU 180 CO -0.25 0.62 -0.03 2.35 -0.73 0.00 0.00 179.01 180.96 3pva h TRP 181 N 0.96 -0.08 -0.70 0.92 7.01 -1.60 -1.64 115.95 120.82 3pva h TRP 181 Ca 0.38 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.37 3pva h TRP 181 Cb 0.26 0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.32 3pva h TRP 181 CO -0.00 -0.05 0.38 0.45 -2.79 0.00 0.00 178.44 176.42 3pva h HIS 182 N -0.05 0.96 -0.62 2.65 3.86 -1.16 -0.38 115.15 120.41 3pva h HIS 182 Ca 0.02 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 3pva h HIS 182 Cb 0.08 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.21 3pva h HIS 182 CO -0.11 0.69 0.14 0.37 0.86 0.00 0.00 177.93 179.87 3pva h GLN 183 N 0.96 0.97 -0.40 2.45 4.15 -0.98 -2.24 115.11 120.02 3pva h GLN 183 Ca 0.24 -0.22 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 3pva h GLN 183 Cb 0.05 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 3pva h GLN 183 CO -0.04 0.87 -0.06 1.15 -1.93 0.00 0.00 178.83 178.83 3pva h THR 184 N 0.93 1.27 -0.93 2.39 2.02 -1.07 -3.04 112.91 114.48 3pva h THR 184 Ca 0.20 -1.12 0.17 0.00 0.77 0.00 0.00 66.41 66.43 3pva h THR 184 Cb 0.35 1.19 -0.08 0.00 -1.74 0.00 0.00 68.15 67.86 3pva h THR 184 CO 0.00 0.38 0.60 -1.13 0.37 0.00 0.00 175.52 175.74 3pva h ASN 185 N 0.57 0.62 -1.00 4.18 -0.00 -0.58 -0.75 115.58 118.62 3pva h ASN 185 Ca 0.11 0.06 0.30 0.00 -0.00 0.00 0.00 56.30 56.77 3pva h ASN 185 Cb 0.57 -0.06 -0.14 0.00 -0.00 0.00 0.00 38.32 38.68 3pva h ASN 185 CO 0.03 0.27 0.57 -0.07 -0.00 0.00 0.00 177.43 178.23 3pva h LEU 186 N 0.64 0.54 -1.80 0.34 3.38 -1.29 -1.82 115.31 115.29 3pva h LEU 186 Ca 0.49 0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.75 3pva h LEU 186 Cb 0.90 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 3pva h LEU 186 CO -0.24 -0.09 0.36 0.03 0.09 0.00 0.00 178.44 178.58 3pva h ARG 187 N 0.37 0.22 0.00 1.13 3.08 -1.30 -1.28 114.38 116.60 3pva h ARG 187 Ca 0.71 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.75 3pva h ARG 187 Cb 1.57 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.57 3pva h ARG 187 CO -0.58 0.14 0.00 0.00 -1.07 0.00 0.00 179.97 178.46 3pva n ALA 188 N -2.56 1.67 -0.67 0.04 0.00 -0.68 -3.37 120.51 114.92 3pva n ALA 188 Ca 0.09 0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.68 3pva n ALA 188 Cb 0.43 -1.39 0.12 0.00 0.00 0.00 0.00 19.45 18.61 3pva n ALA 188 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3pva n TYR 189 N -2.24 0.17 0.24 0.00 4.02 -0.49 -4.76 117.16 114.11 3pva n TYR 189 Ca 0.02 -0.80 0.09 0.00 -0.01 0.00 0.00 57.90 57.21 3pva n TYR 189 Cb 0.23 -0.13 0.45 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 -0.87 1.10 1.14 -0.72 -5.35 -1.20 -1.11 119.36 112.35 3pva n ILE 190 Ca 0.12 0.50 0.13 0.00 -0.27 0.00 0.00 62.75 63.24 3pva n ILE 190 Cb 0.54 -1.46 0.65 0.00 -1.74 0.00 0.00 39.64 37.63 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 -0.81 -1.32 3.56 3.28 0.00 -1.26 -4.68 105.19 103.96 3pva n GLY 191 Ca 0.00 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.77 3.72 0.39 1.61 1.01 -0.27 -4.79 120.40 119.29 3pva s VAL 192 Ca 0.20 0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.69 3pva s VAL 192 Cb 0.18 -4.72 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 3pva s VAL 192 CO 0.46 -1.60 0.12 0.42 0.00 0.00 0.00 175.10 174.51 3pva s THR 193 N 6.11 0.65 -0.10 3.92 -4.23 0.23 -4.91 115.64 117.31 3pva s THR 193 Ca 0.42 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.23 3pva s THR 193 Cb -0.09 -2.43 0.37 0.00 1.34 0.00 0.00 72.50 71.69 3pva s THR 193 CO 0.18 0.00 1.85 -0.65 -0.54 0.00 0.00 174.62 175.46 3pva h PRO 194 N 1.88 0.00 -5.94 3.99 0.11 -1.94 -3.11 132.00 126.99 3pva h PRO 194 Ca -0.36 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.15 3pva h PRO 194 Cb 1.27 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 3pva h PRO 194 CO 0.58 0.00 -0.20 -0.80 -0.21 0.00 0.00 178.00 177.37 3pva s ASN 195 N -5.81 6.77 0.45 -2.05 -0.87 -1.26 -4.68 114.94 107.49 3pva s ASN 195 Ca 0.03 0.92 -0.24 0.00 -1.57 0.00 0.00 52.86 52.00 3pva s ASN 195 Cb 0.08 -2.25 -0.07 0.00 -0.02 0.00 0.00 41.25 38.98 3pva s ASN 195 CO 0.58 0.26 1.24 -2.16 -2.57 0.00 0.00 177.10 174.45 3pva s PRO 196 N -0.72 3.75 0.58 -0.60 0.04 -1.26 -3.64 135.00 133.16 3pva s PRO 196 Ca 0.24 1.99 -0.19 0.00 0.04 0.00 0.00 61.00 63.07 3pva s PRO 196 Cb -0.16 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 3pva s PRO 196 CO 0.12 -0.62 1.22 -1.25 0.04 0.00 0.00 177.00 176.52 3pva s PRO 197 N -2.54 3.01 0.68 0.56 0.04 -1.26 -4.92 135.00 130.57 3pva s PRO 197 Ca 0.62 1.86 -0.15 0.00 0.04 0.00 0.00 61.00 63.37 3pva s PRO 197 Cb -0.34 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.24 3pva s PRO 197 CO 0.42 -1.18 1.14 -0.65 0.04 0.00 0.00 177.00 176.76 3pva s GLN 198 N -3.27 2.62 0.54 4.56 -0.21 -1.26 -4.93 119.66 117.71 3pva s GLN 198 Ca 0.77 1.50 -0.18 0.00 0.02 0.00 0.00 55.36 57.46 3pva s GLN 198 Cb -0.31 -1.92 -0.06 0.00 1.00 0.00 0.00 33.01 31.72 3pva s GLN 198 CO 0.34 -1.41 1.06 -0.51 -2.12 0.00 0.00 175.29 172.66 3pva s ASP 199 N -2.40 6.00 0.28 5.90 1.01 -1.26 -5.01 116.67 121.18 3pva s ASP 199 Ca 0.69 1.93 0.01 0.00 0.71 0.00 0.00 52.55 55.90 3pva s ASP 199 Cb -0.23 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.14 3pva s ASP 199 CO 0.42 -1.02 0.05 2.30 0.21 0.00 0.00 175.17 177.14 3pva n ILE 200 N -1.45 0.00 -4.07 0.77 -5.35 -1.06 -5.01 119.36 103.20 3pva n ILE 200 Ca 0.09 -1.47 -0.11 0.00 -0.27 0.00 0.00 62.75 60.99 3pva n ILE 200 Cb 0.52 0.43 -0.11 0.00 -1.74 0.00 0.00 39.64 38.74 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 -3.03 0.55 -0.38 6.28 -1.94 -1.26 -1.97 119.30 117.55 3pva s MET 201 Ca 0.07 -0.87 0.01 0.00 -1.71 0.00 0.00 55.69 53.19 3pva s MET 201 Cb 0.00 -0.16 0.12 0.00 2.01 0.00 0.00 34.83 36.81 3pva s MET 201 CO 0.05 0.01 0.19 -1.64 -0.01 0.00 0.00 175.02 173.62 3pva s MET 202 N -2.14 1.00 7.94 2.03 -1.94 -0.33 -4.95 119.30 120.91 3pva s MET 202 Ca -0.06 -1.61 0.00 0.00 -1.71 0.00 0.00 55.69 52.31 3pva s MET 202 Cb -0.06 -2.09 0.00 0.00 2.01 0.00 0.00 34.83 34.70 3pva s MET 202 CO -0.02 -1.11 0.00 0.41 -0.01 0.00 0.00 175.02 174.29 3pva n GLY 203 N 4.04 3.44 0.78 -0.03 0.00 -1.26 -1.31 105.19 110.85 3pva n GLY 203 Ca 0.06 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 8.78 2.42 -4.69 1.61 8.00 -1.26 -4.90 116.55 126.51 3pva n ASP 204 Ca 0.00 -1.80 -0.41 0.00 0.71 0.00 0.00 54.79 53.28 3pva n ASP 204 Cb 0.00 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.93 4.25 -0.05 0.64 0.20 -0.42 -5.04 118.68 116.33 3pva s LEU 205 Ca 0.33 1.31 -0.24 0.00 0.69 0.00 0.00 54.13 56.22 3pva s LEU 205 Cb 0.20 -3.31 -0.04 0.00 -0.43 0.00 0.00 46.19 42.62 3pva s LEU 205 CO 0.31 -0.32 0.74 -1.81 -0.29 0.00 0.00 176.35 174.98 3pva s ASP 206 N 1.04 7.04 -0.20 3.68 1.01 -1.26 -1.18 116.67 126.80 3pva s ASP 206 Ca 0.42 1.25 -0.02 0.00 0.71 0.00 0.00 52.55 54.92 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 0.17 -0.13 -0.11 -0.76 0.21 0.00 0.00 175.17 174.55 3pva s LEU 207 N 0.79 2.58 0.06 1.23 1.43 -0.83 -4.99 118.68 118.96 3pva s LEU 207 Ca 0.39 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 3pva s LEU 207 Cb -0.18 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 3pva s LEU 207 CO 0.19 -0.00 -0.09 0.28 0.23 0.00 0.00 176.35 176.96 3pva s THR 208 N 1.33 0.73 0.75 5.49 -1.32 -1.26 -2.55 115.64 118.82 3pva s THR 208 Ca 0.04 -1.31 -0.15 0.00 -1.21 0.00 0.00 61.69 59.06 3pva s THR 208 Cb -0.14 -0.94 0.02 0.00 -1.51 0.00 0.00 72.50 69.94 3pva s THR 208 CO -0.06 -0.43 0.98 -2.65 -2.21 0.00 0.00 174.62 170.24 3pva n PRO 209 N 1.12 0.39 0.15 7.08 -0.02 -1.26 -4.91 135.00 137.56 3pva n PRO 209 Ca -0.20 0.19 0.04 0.00 -2.02 0.00 0.00 63.50 61.51 3pva n PRO 209 Cb 0.56 -2.24 0.46 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 -0.47 0.18 0.00 6.00 0.04 -2.04 -3.47 116.94 117.19 3pva h PHE 210 Ca -0.47 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.29 3pva h PHE 210 Cb 1.32 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.42 3pva h PHE 210 CO 0.41 0.25 0.00 0.41 -0.60 0.00 0.00 178.31 178.79 3pva n GLY 211 N -1.10 -0.37 3.72 -1.45 0.00 -1.26 -5.16 105.19 99.56 3pva n GLY 211 Ca -0.01 0.57 -0.28 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 1.60 2.13 0.00 1.61 2.00 -1.26 -4.88 119.66 120.86 3pva s GLN 212 Ca 0.00 -2.07 0.00 0.00 -2.00 0.00 0.00 55.36 51.29 3pva s GLN 212 Cb 0.00 -1.78 0.00 0.00 0.80 0.00 0.00 33.01 32.03 3pva s GLN 212 CO 0.00 -0.19 0.00 0.41 -0.50 0.00 0.00 175.29 175.01 3pva n GLY 213 N -1.20 1.89 0.00 2.59 0.00 -1.26 -4.97 105.19 102.25 3pva n GLY 213 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.76 1.71 0.28 4.61 0.00 -1.26 -2.34 120.51 121.74 3pva n ALA 214 Ca 0.00 -0.06 0.16 0.00 0.00 0.00 0.00 53.44 53.54 3pva n ALA 214 Cb 0.00 -1.23 0.77 0.00 0.00 0.00 0.00 19.45 19.00 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 2.36 0.00 1.25 0.00 0.00 -1.72 -2.31 103.07 102.65 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 -0.04 0.61 0.00 0.00 0.00 176.54 177.11 3pva n GLY 216 N -0.39 -1.12 3.74 4.60 0.00 -0.99 -0.60 105.19 110.43 3pva n GLY 216 Ca -0.01 -0.20 -0.66 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.12 1.40 0.00 0.99 7.94 -0.87 -1.29 117.00 124.05 3pva n LEU 217 Ca 0.16 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.22 3pva n LEU 217 Cb 0.24 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.26 3pva n LEU 217 CO 0.23 -0.79 0.00 0.61 -1.11 0.00 0.00 177.39 176.33 3pva n GLY 218 N 3.99 3.23 3.71 -3.96 0.00 -1.26 -4.71 105.19 106.19 3pva n GLY 218 Ca 0.30 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 3pva n GLY 218 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3pva n LEU 219 N 0.00 3.80 -4.76 0.99 0.00 -0.41 -4.95 117.00 111.67 3pva n LEU 219 Ca 0.00 1.09 -0.39 0.00 0.00 0.00 0.00 56.01 56.70 3pva n LEU 219 Cb 0.00 -1.54 -0.06 0.00 0.00 0.00 0.00 43.42 41.83 3pva n LEU 219 CO 0.00 0.03 0.66 -2.16 0.00 0.00 0.00 177.39 175.92 3pva s PRO 220 N 0.71 4.78 0.00 1.96 0.04 -1.26 -4.98 135.00 136.25 3pva s PRO 220 Ca 0.74 1.48 0.22 0.00 0.04 0.00 0.00 61.00 63.48 3pva s PRO 220 Cb -0.55 -3.17 0.24 0.00 0.04 0.00 0.00 34.50 31.06 3pva s PRO 220 CO 0.38 0.44 1.25 0.41 0.04 0.00 0.00 177.00 179.51 3pva n GLY 221 N 1.27 1.06 3.80 0.56 0.00 -1.26 -4.89 105.19 105.73 3pva n GLY 221 Ca -0.01 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.75 3.74 -0.21 1.61 1.47 -1.26 -4.99 116.67 115.27 3pva s ASP 222 Ca 0.29 0.99 0.15 0.00 1.18 0.00 0.00 52.55 55.16 3pva s ASP 222 Cb 0.19 -1.58 0.79 0.00 -0.34 0.00 0.00 42.92 41.99 3pva s ASP 222 CO 0.28 -2.41 1.71 0.49 0.68 0.00 0.00 175.17 175.93 3pva n PHE 223 N -3.68 1.92 -0.91 2.11 3.72 -1.26 -4.35 117.46 115.01 3pva n PHE 223 Ca 0.07 -0.72 -0.31 0.00 -0.05 0.00 0.00 57.45 56.43 3pva n PHE 223 Cb 0.59 -0.46 0.14 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 -2.63 2.51 0.17 4.37 -4.23 -1.26 -4.74 115.64 109.84 3pva s THR 224 Ca 0.53 0.17 -0.14 0.00 -1.18 0.00 0.00 61.69 61.07 3pva s THR 224 Cb 0.40 -2.36 0.06 0.00 1.34 0.00 0.00 72.50 71.93 3pva s THR 224 CO 0.17 -0.22 1.80 -0.65 -0.54 0.00 0.00 174.62 175.19 3pva h PRO 225 N -1.58 0.53 -0.08 3.99 0.11 -1.93 0.19 132.00 133.23 3pva h PRO 225 Ca -0.43 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3pva h PRO 225 Cb 1.26 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3pva h PRO 225 CO 0.45 0.35 0.05 0.66 -0.21 0.00 0.00 178.00 179.30 3pva h SER 226 N 0.54 0.10 -0.45 -2.05 4.64 -1.91 0.29 113.55 114.70 3pva h SER 226 Ca 0.20 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3pva h SER 226 Cb 0.04 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3pva h SER 226 CO -0.10 0.14 0.28 0.00 -0.87 0.00 0.00 176.83 176.28 3pva h ALA 227 N 0.96 0.58 -0.82 5.18 0.00 -1.79 -1.78 119.26 121.59 3pva h ALA 227 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3pva h ALA 227 Cb 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3pva h ALA 227 CO -0.00 0.05 0.47 0.00 0.00 0.00 0.00 179.25 179.77 3pva h ARG 228 N 0.61 1.12 -0.11 0.00 3.08 -0.36 -1.66 114.38 117.06 3pva h ARG 228 Ca 0.16 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.14 3pva h ARG 228 Cb -0.03 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 29.75 3pva h ARG 228 CO -0.03 0.80 -0.16 0.35 -1.07 0.00 0.00 179.97 179.86 3pva h PHE 229 N 1.13 -0.40 -0.35 3.04 3.04 0.30 -1.75 116.94 121.95 3pva h PHE 229 Ca 0.29 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.31 3pva h PHE 229 Cb -0.01 0.19 -0.04 0.00 2.56 0.00 0.00 35.95 38.65 3pva h PHE 229 CO 0.01 -0.23 0.09 -0.07 -2.02 0.00 0.00 178.31 176.09 3pva h LEU 230 N -0.20 0.05 -0.54 0.59 4.07 -0.76 -0.29 115.31 118.23 3pva h LEU 230 Ca 0.09 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 3pva h LEU 230 Cb 0.33 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 3pva h LEU 230 CO -0.23 0.07 0.24 0.03 -1.08 0.00 0.00 178.44 177.46 3pva h ARG 231 N 0.22 0.79 -0.24 1.13 3.08 -0.90 0.51 114.38 118.96 3pva h ARG 231 Ca 0.17 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3pva h ARG 231 Cb 0.17 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3pva h ARG 231 CO -0.20 0.67 0.04 0.28 -1.07 0.00 0.00 179.97 179.68 3pva h VAL 232 N 0.72 1.23 0.37 2.04 2.07 -1.15 -1.30 116.25 120.24 3pva h VAL 232 Ca 0.18 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 3pva h VAL 232 Cb 0.16 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3pva h VAL 232 CO -0.02 0.25 -0.18 0.00 0.02 0.00 0.00 177.57 177.64 3pva h ALA 233 N 0.85 -0.50 -0.47 1.67 0.00 -0.71 0.97 119.26 121.06 3pva h ALA 233 Ca 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3pva h ALA 233 Cb 0.33 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3pva h ALA 233 CO 0.01 -0.72 0.27 1.88 0.00 0.00 0.00 179.25 180.69 3pva h TYR 234 N -0.63 0.62 0.00 0.00 0.05 -0.96 -0.03 116.97 116.03 3pva h TYR 234 Ca -0.05 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.65 3pva h TYR 234 Cb 0.46 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 3pva h TYR 234 CO -0.02 0.44 -0.33 -1.49 -1.05 0.00 0.00 178.16 175.71 3pva h TRP 235 N 0.62 0.00 -0.42 4.88 -0.00 -1.24 -1.93 115.95 117.87 3pva h TRP 235 Ca 0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 58.89 58.94 3pva h TRP 235 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.16 3pva h TRP 235 CO -0.03 0.33 -0.22 -0.22 -0.00 0.00 0.00 178.44 178.31 3pva h LYS 236 N 0.00 0.83 -0.42 0.49 3.64 -0.40 -0.18 116.57 120.53 3pva h LYS 236 Ca -0.00 -0.34 -0.03 0.00 -1.27 0.00 0.00 60.65 59.01 3pva h LYS 236 Cb 0.82 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 3pva h LYS 236 CO 0.04 0.97 0.16 -0.22 -2.27 0.00 0.00 179.45 178.13 3pva h LYS 237 N 0.72 0.63 0.00 1.90 3.64 -0.28 -3.35 116.57 119.83 3pva h LYS 237 Ca 0.10 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3pva h LYS 237 Cb 0.74 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3pva h LYS 237 CO 0.06 0.60 -1.60 0.66 -2.27 0.00 0.00 179.45 176.90 3pva n TYR 238 N -4.61 0.07 -2.43 1.91 4.01 -0.81 -4.93 117.16 110.36 3pva n TYR 238 Ca 0.00 0.02 -0.36 0.00 -0.16 0.00 0.00 57.90 57.40 3pva n TYR 238 Cb 0.16 -0.38 -0.03 0.00 -0.31 0.00 0.00 39.34 38.77 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 -3.35 3.50 0.51 -0.72 -4.23 -0.09 -4.95 115.64 106.31 3pva s THR 239 Ca -0.02 1.10 -0.21 0.00 -1.18 0.00 0.00 61.69 61.38 3pva s THR 239 Cb 0.14 -3.55 -0.09 0.00 1.34 0.00 0.00 72.50 70.35 3pva s THR 239 CO 0.88 -0.04 0.77 -0.62 -0.54 0.00 0.00 174.62 175.07 3pva n GLU 240 N -0.38 0.85 -1.91 3.99 1.02 -1.26 -4.94 120.64 118.01 3pva n GLU 240 Ca 0.07 0.32 -0.41 0.00 -0.02 0.00 0.00 57.16 57.11 3pva n GLU 240 Cb 0.49 -1.87 -0.01 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.13 4.20 0.02 3.49 -0.14 -1.26 -4.95 119.74 118.96 3pva s LYS 241 Ca 0.68 2.44 -0.30 0.00 -1.36 0.00 0.00 55.97 57.43 3pva s LYS 241 Cb -0.50 -3.02 -0.05 0.00 -1.68 0.00 0.00 37.83 32.59 3pva s LYS 241 CO 0.54 -0.43 1.19 0.00 -0.76 0.00 0.00 175.35 175.89 3pva s ALA 242 N -0.93 3.41 -0.32 5.17 0.00 -1.26 -4.91 121.76 122.92 3pva s ALA 242 Ca 0.53 0.75 0.21 0.00 0.00 0.00 0.00 51.96 53.45 3pva s ALA 242 Cb -0.44 -3.47 0.18 0.00 0.00 0.00 0.00 23.12 19.39 3pva s ALA 242 CO 0.57 -0.55 1.40 0.87 0.00 0.00 0.00 175.76 178.06 3pva h LYS 243 N 7.06 0.00 0.00 0.00 1.57 -1.92 0.11 116.57 123.39 3pva h LYS 243 Ca -0.39 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.26 3pva h LYS 243 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 3pva h LYS 243 CO 0.83 0.12 0.08 0.27 -0.57 0.00 0.00 179.45 180.18 3pva n ASN 244 N -3.02 -1.71 -0.16 0.86 0.23 -1.26 -3.72 115.26 106.47 3pva n ASN 244 Ca 0.02 -2.58 -0.02 0.00 -0.53 0.00 0.00 54.58 51.47 3pva n ASN 244 Cb 0.60 2.97 0.19 0.00 -2.08 0.00 0.00 39.78 41.46 3pva n ASN 244 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3pva h GLU 245 N 0.00 0.90 -0.36 -3.83 4.81 -1.97 -1.90 114.58 112.22 3pva h GLU 245 Ca -0.28 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 58.69 3pva h GLU 245 Cb 1.11 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 3pva h GLU 245 CO 0.36 0.75 -0.21 1.15 -0.73 0.00 0.00 179.01 180.34 3pva h THR 246 N 0.88 1.29 -0.83 0.32 2.02 -1.99 -1.14 112.91 113.45 3pva h THR 246 Ca 0.20 -1.35 0.03 0.00 0.77 0.00 0.00 66.41 66.06 3pva h THR 246 Cb 0.21 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 3pva h THR 246 CO -0.01 0.44 0.53 -0.33 0.37 0.00 0.00 175.52 176.52 3pva h GLU 247 N 0.57 1.02 -0.17 6.66 5.08 -1.94 -0.94 114.58 124.86 3pva h GLU 247 Ca 0.08 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3pva h GLU 247 Cb 0.76 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 3pva h GLU 247 CO 0.06 0.67 -0.08 0.78 -1.00 0.00 0.00 179.01 179.44 3pva h GLY 248 N 1.05 0.07 0.98 -3.84 0.00 -1.07 0.52 103.07 100.78 3pva h GLY 248 Ca 0.33 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 3pva h GLY 248 CO -0.11 -0.10 0.19 -2.08 0.00 0.00 0.00 176.54 174.44 3pva h VAL 249 N -0.07 1.10 -0.01 4.60 2.07 -0.68 -0.54 116.25 122.73 3pva h VAL 249 Ca 0.09 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.25 3pva h VAL 249 Cb 0.21 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3pva h VAL 249 CO -0.22 0.10 -0.64 0.71 0.02 0.00 0.00 177.57 177.54 3pva h THR 250 N 0.40 1.45 -0.31 2.57 1.35 -0.79 -2.04 112.91 115.54 3pva h THR 250 Ca 0.11 -2.19 -0.08 0.00 -0.55 0.00 0.00 66.41 63.70 3pva h THR 250 Cb -0.00 2.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 3pva h THR 250 CO -0.02 0.63 -0.13 0.78 -0.25 0.00 0.00 175.52 176.52 3pva h ASN 251 N 0.02 0.65 -0.61 5.36 -0.26 0.16 -2.11 115.58 118.80 3pva h ASN 251 Ca -0.01 -0.40 0.06 0.00 -0.56 0.00 0.00 56.30 55.39 3pva h ASN 251 Cb 1.14 -0.18 -0.05 0.00 -1.06 0.00 0.00 38.32 38.17 3pva h ASN 251 CO 0.09 0.91 0.32 -0.07 -1.06 0.00 0.00 177.43 177.61 3pva h LEU 252 N 0.40 0.45 -1.11 1.61 3.38 -0.87 -1.17 115.31 118.01 3pva h LEU 252 Ca 0.07 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3pva h LEU 252 Cb 0.65 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3pva h LEU 252 CO 0.04 0.30 -0.14 -0.26 0.09 0.00 0.00 178.44 178.47 3pva h PHE 253 N 0.59 0.00 -0.01 1.13 0.04 -1.24 -1.77 116.94 115.68 3pva h PHE 253 Ca 0.28 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.01 3pva h PHE 253 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 3pva h PHE 253 CO -0.10 0.14 -0.13 0.45 -0.60 0.00 0.00 178.31 178.07 3pva h HIS 254 N 0.00 0.15 -0.18 -0.55 3.86 -0.65 -2.59 115.15 115.19 3pva h HIS 254 Ca -0.00 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.14 3pva h HIS 254 Cb 0.71 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 3pva h HIS 254 CO 0.00 0.82 0.09 0.82 0.86 0.00 0.00 177.93 180.52 3pva h ILE 255 N -0.56 1.00 0.00 2.45 2.04 -1.08 -2.25 117.51 119.11 3pva h ILE 255 Ca -0.01 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3pva h ILE 255 Cb 0.85 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3pva h ILE 255 CO 0.03 0.04 0.00 0.18 0.00 0.00 0.00 178.15 178.39 3pva n LEU 256 N -5.01 0.22 0.23 1.44 4.77 -0.68 -2.14 117.00 115.83 3pva n LEU 256 Ca -0.03 0.56 0.15 0.00 -0.03 0.00 0.00 56.01 56.65 3pva n LEU 256 Cb 0.05 -0.53 0.52 0.00 -2.33 0.00 0.00 43.42 41.13 3pva n LEU 256 CO 0.32 -0.37 0.92 0.77 -1.33 0.00 0.00 177.39 177.70 3pva h SER 257 N 0.00 0.00 1.08 -1.43 4.64 -0.98 -0.40 113.55 116.45 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 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3pva h SER 257 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 3pva n SER 258 N -2.91 0.50 -0.59 4.97 3.41 -0.91 -3.02 113.62 115.07 3pva n SER 258 Ca 0.02 0.57 0.06 0.00 -0.26 0.00 0.00 58.87 59.26 3pva n SER 258 Cb 0.36 -0.70 0.15 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.99 1.67 -3.09 -3.33 0.24 -0.20 -5.02 118.33 106.62 3pva n VAL 259 Ca 0.05 -2.48 -0.42 0.00 -2.04 0.00 0.00 64.34 59.45 3pva n VAL 259 Cb 0.33 -0.02 -0.06 0.00 -1.47 0.00 0.00 33.84 32.62 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 -2.83 6.42 -0.39 -1.34 2.47 -0.97 -4.95 114.94 113.36 3pva s ASN 260 Ca 0.33 0.06 -0.21 0.00 0.42 0.00 0.00 52.86 53.47 3pva s ASN 260 Cb 0.33 -2.34 0.01 0.00 -1.45 0.00 0.00 41.25 37.80 3pva s ASN 260 CO -0.05 -0.66 0.66 -0.63 -3.72 0.00 0.00 177.10 172.70 3pva s ILE 261 N 2.80 4.84 0.40 -5.21 1.01 -1.26 -4.98 121.20 118.80 3pva s ILE 261 Ca 0.25 0.48 -0.27 0.00 0.00 0.00 0.00 60.65 61.11 3pva s ILE 261 Cb -0.14 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.10 3pva s ILE 261 CO 0.16 -0.43 1.34 -2.84 0.00 0.00 0.00 174.94 173.17 3pva s PRO 262 N 2.82 4.00 0.17 2.79 0.02 -1.26 -2.46 135.00 141.08 3pva s PRO 262 Ca 0.25 2.25 -0.34 0.00 0.02 0.00 0.00 61.00 63.18 3pva s PRO 262 Cb -0.14 -2.81 -0.14 0.00 0.02 0.00 0.00 34.50 31.43 3pva s PRO 262 CO 0.17 -0.50 1.57 1.63 -0.33 0.00 0.00 177.00 179.54 3pva n LYS 263 N 0.22 2.16 0.00 5.54 5.02 -1.26 -2.40 118.16 127.44 3pva n LYS 263 Ca 0.03 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 3pva n LYS 263 Cb 0.43 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 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 3.31 2.71 0.21 0.72 0.00 -1.26 -4.93 105.19 105.95 3pva n GLY 264 Ca 0.16 0.00 0.11 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 0.13 -3.34 1.61 -1.51 -1.81 -3.43 116.25 107.91 3pva h VAL 265 Ca 0.00 -1.18 -0.54 0.00 -1.23 0.00 0.00 66.70 63.75 3pva h VAL 265 Cb 0.00 2.06 -0.34 0.00 -2.13 0.00 0.00 31.29 30.88 3pva h VAL 265 CO 0.00 0.07 -0.82 -0.69 -1.23 0.00 0.00 177.57 174.90 3pva s VAL 266 N -3.17 1.24 0.04 7.19 1.01 -1.26 -5.08 120.40 120.37 3pva s VAL 266 Ca 0.07 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.62 3pva s VAL 266 Cb 0.05 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3pva s VAL 266 CO 0.68 0.39 -0.24 -0.76 0.00 0.00 0.00 175.10 175.17 3pva s LEU 267 N 0.91 2.15 0.00 3.92 1.43 -1.26 -1.19 118.68 124.64 3pva s LEU 267 Ca -0.09 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 3pva s LEU 267 Cb -0.15 -1.15 0.06 0.00 0.03 0.00 0.00 46.19 44.98 3pva s LEU 267 CO 0.01 0.22 0.30 0.35 0.23 0.00 0.00 176.35 177.45 3pva n THR 268 N 1.90 0.00 0.02 5.49 -2.24 0.51 -4.86 114.28 115.10 3pva n THR 268 Ca -0.17 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.31 3pva n THR 268 Cb 0.52 -1.65 0.04 0.00 -2.10 0.00 0.00 70.33 67.14 3pva n THR 268 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3pva h ASN 269 N -0.69 0.60 0.08 3.42 2.35 -2.02 -2.10 115.58 117.23 3pva h ASN 269 Ca -0.10 -0.35 -0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3pva h ASN 269 Cb 0.28 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 3pva h ASN 269 CO 0.07 1.08 -0.00 -0.08 -1.65 0.00 0.00 177.43 176.84 3pva h GLU 270 N 0.39 0.00 0.00 0.81 4.57 -2.06 -3.46 114.58 114.83 3pva h GLU 270 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3pva h GLU 270 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3pva h GLU 270 CO 0.12 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.36 3pva n GLY 271 N -1.04 0.76 3.77 1.92 0.00 -0.79 -5.05 105.19 104.76 3pva n GLY 271 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 4.54 -0.10 1.61 3.01 -1.26 -4.66 119.74 122.32 3pva s LYS 272 Ca 0.00 1.56 -0.24 0.00 -1.01 0.00 0.00 55.97 56.28 3pva s LYS 272 Cb 0.00 -2.94 -0.03 0.00 -1.01 0.00 0.00 37.83 33.85 3pva s LYS 272 CO 0.00 0.19 0.76 -0.08 0.51 0.00 0.00 175.35 176.73 3pva s THR 273 N -1.40 4.98 -0.41 2.17 -1.32 -1.26 -0.36 115.64 118.04 3pva s THR 273 Ca 0.49 1.54 -0.17 0.00 -1.21 0.00 0.00 61.69 62.34 3pva s THR 273 Cb -0.25 -4.09 0.02 0.00 -1.51 0.00 0.00 72.50 66.66 3pva s THR 273 CO 0.32 0.17 0.41 -0.62 -2.21 0.00 0.00 174.62 172.69 3pva s ASP 274 N 0.94 6.18 0.17 8.08 2.15 -0.34 -4.10 116.67 129.77 3pva s ASP 274 Ca 0.39 -0.62 0.01 0.00 0.43 0.00 0.00 52.55 52.76 3pva s ASP 274 Cb -0.18 -2.21 -0.05 0.00 -0.30 0.00 0.00 42.92 40.19 3pva s ASP 274 CO 0.17 -0.53 0.02 -0.72 -0.17 0.00 0.00 175.17 173.94 3pva s TYR 275 N 2.07 1.16 -0.91 -5.34 1.13 -1.04 -4.35 117.35 110.07 3pva s TYR 275 Ca 0.11 -1.06 -0.24 0.00 -1.41 0.00 0.00 57.07 54.47 3pva s TYR 275 Cb -0.17 -0.66 0.00 0.00 -1.10 0.00 0.00 41.96 40.03 3pva s TYR 275 CO 0.13 -0.27 1.66 0.99 -2.51 0.00 0.00 175.55 175.55 3pva s THR 276 N -3.73 3.67 0.14 -3.49 2.01 -1.03 -2.07 115.64 111.13 3pva s THR 276 Ca 0.24 -0.41 -0.17 0.00 0.31 0.00 0.00 61.69 61.66 3pva s THR 276 Cb 0.06 -4.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.01 3pva s THR 276 CO 0.04 -1.46 1.77 0.40 -0.69 0.00 0.00 174.62 174.68 3pva h ILE 277 N 6.91 1.11 -3.73 1.82 2.04 -1.35 -3.36 117.51 120.94 3pva h ILE 277 Ca 0.07 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 3pva h ILE 277 Cb 1.03 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 37.68 3pva h ILE 277 CO 1.31 0.11 -0.12 -0.72 0.00 0.00 0.00 178.15 178.73 3pva s TYR 278 N -6.03 0.51 -0.06 1.37 -0.85 -1.25 -1.43 117.35 109.62 3pva s TYR 278 Ca -0.13 -0.87 -0.02 0.00 -0.52 0.00 0.00 57.07 55.53 3pva s TYR 278 Cb 0.10 0.15 0.04 0.00 0.38 0.00 0.00 41.96 42.63 3pva s TYR 278 CO 0.72 -1.05 0.12 0.99 -1.52 0.00 0.00 175.55 174.81 3pva s THR 279 N -3.72 -0.12 0.12 -3.49 2.01 0.04 -1.55 115.64 108.95 3pva s THR 279 Ca 0.24 0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.55 3pva s THR 279 Cb -0.01 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 3pva s THR 279 CO 0.12 0.11 -0.11 -0.94 -0.69 0.00 0.00 174.62 173.10 3pva s SER 280 N 1.56 1.72 0.03 3.53 1.04 -0.34 -0.83 113.70 120.41 3pva s SER 280 Ca -0.04 -0.89 0.02 0.00 0.48 0.00 0.00 55.95 55.52 3pva s SER 280 Cb -0.12 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.96 3pva s SER 280 CO -0.05 -0.26 -0.06 0.00 0.98 0.00 0.00 173.24 173.85 3pva s ALA 281 N -2.69 0.45 0.01 5.32 0.00 -0.45 -1.35 121.76 123.06 3pva s ALA 281 Ca 0.10 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.43 3pva s ALA 281 Cb -0.01 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3pva s ALA 281 CO 0.01 -0.03 -0.03 -1.64 0.00 0.00 0.00 175.76 174.06 3pva s MET 282 N -1.34 0.27 -0.17 0.00 -1.94 0.26 -0.29 119.30 116.10 3pva s MET 282 Ca -0.09 -0.36 0.01 0.00 -1.71 0.00 0.00 55.69 53.53 3pva s MET 282 Cb -0.09 -0.09 0.01 0.00 2.01 0.00 0.00 34.83 36.67 3pva s MET 282 CO 0.00 0.01 -0.17 0.00 -0.01 0.00 0.00 175.02 174.85 3pva h ALA 284 N 7.65 0.63 -0.00 0.00 0.00 -1.34 -0.46 119.26 125.74 3pva h ALA 284 Ca -0.39 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 3pva h ALA 284 Cb 1.17 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3pva h ALA 284 CO 0.60 0.15 -0.92 1.96 0.00 0.00 0.00 179.25 181.03 3pva h GLN 285 N 0.65 0.37 0.00 0.00 1.08 -1.88 -3.29 115.11 112.04 3pva h GLN 285 Ca 0.17 -0.40 -0.02 0.00 -1.45 0.00 0.00 58.65 56.96 3pva h GLN 285 Cb 0.05 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3pva h GLN 285 CO -0.03 1.07 -0.99 0.66 -0.95 0.00 0.00 178.83 178.59 3pva h SER 286 N 0.21 0.00 -2.23 1.46 4.64 -1.93 -3.48 113.55 112.22 3pva h SER 286 Ca -0.07 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.90 3pva h SER 286 Cb 1.56 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.61 3pva h SER 286 CO 0.16 0.08 -0.43 0.29 -0.87 0.00 0.00 176.83 176.06 3pva n LYS 287 N -2.73 -1.35 -3.30 4.77 4.01 -0.18 -4.75 118.16 114.61 3pva n LYS 287 Ca -0.01 0.87 -0.35 0.00 -0.51 0.00 0.00 58.31 58.31 3pva n LYS 287 Cb 0.59 -5.30 -0.06 0.00 -0.51 0.00 0.00 35.03 29.75 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 -2.31 6.85 -0.14 4.39 0.02 -1.23 -2.50 114.94 120.02 3pva s ASN 288 Ca 0.00 1.14 0.02 0.00 -1.02 0.00 0.00 52.86 53.00 3pva s ASN 288 Cb 0.00 -2.31 0.00 0.00 0.02 0.00 0.00 41.25 38.96 3pva s ASN 288 CO 0.00 0.06 -0.20 -0.47 0.02 0.00 0.00 177.10 176.52 3pva s TYR 289 N -1.52 2.70 0.06 2.20 5.04 0.49 -2.52 117.35 123.79 3pva s TYR 289 Ca 0.40 -1.20 0.09 0.00 -2.44 0.00 0.00 57.07 53.92 3pva s TYR 289 Cb -0.15 -1.83 -0.03 0.00 0.35 0.00 0.00 41.96 40.30 3pva s TYR 289 CO 0.20 -0.54 -0.23 0.71 -1.34 0.00 0.00 175.55 174.35 3pva s TYR 290 N 0.75 2.41 -0.04 4.97 1.51 0.60 -0.83 117.35 126.71 3pva s TYR 290 Ca -0.08 -0.35 -0.27 0.00 -1.01 0.00 0.00 57.07 55.36 3pva s TYR 290 Cb -0.16 -1.40 0.06 0.00 -0.11 0.00 0.00 41.96 40.35 3pva s TYR 290 CO 0.00 0.20 0.59 -0.59 -1.11 0.00 0.00 175.55 174.65 3pva s PHE 291 N -0.89 -0.55 0.12 2.71 -0.71 -0.32 -1.33 117.98 117.01 3pva s PHE 291 Ca 0.13 0.93 0.05 0.00 -1.04 0.00 0.00 56.93 57.01 3pva s PHE 291 Cb -0.10 0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 3pva s PHE 291 CO 0.04 -0.56 -0.13 -1.59 -1.34 0.00 0.00 175.22 171.64 3pva s LYS 292 N -1.21 1.00 0.33 1.99 -2.85 -0.01 -1.12 119.74 117.86 3pva s LYS 292 Ca -0.12 -1.23 0.06 0.00 -1.00 0.00 0.00 55.97 53.68 3pva s LYS 292 Cb -0.01 -0.84 -0.06 0.00 -2.06 0.00 0.00 37.83 34.85 3pva s LYS 292 CO 0.09 0.16 0.00 -0.48 0.10 0.00 0.00 175.35 175.22 3pva s LEU 293 N -2.47 2.44 0.22 2.77 0.05 -1.10 -0.78 118.68 119.81 3pva s LEU 293 Ca 0.08 -1.31 -0.17 0.00 0.05 0.00 0.00 54.13 52.78 3pva s LEU 293 Cb -0.04 -0.59 0.22 0.00 -2.05 0.00 0.00 46.19 43.73 3pva s LEU 293 CO 0.02 -0.47 1.57 0.22 -0.55 0.00 0.00 176.35 177.14 3pva h TYR 294 N 2.10 -0.94 -0.16 3.48 3.20 -1.40 -1.55 116.97 121.70 3pva h TYR 294 Ca -0.41 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.55 3pva h TYR 294 Cb 1.24 0.54 0.00 0.00 1.54 0.00 0.00 36.73 40.05 3pva h TYR 294 CO 0.65 -0.39 0.00 -0.25 -1.64 0.00 0.00 178.16 176.52 3pva n ASP 295 N -5.47 1.32 -3.57 -2.11 8.00 -1.26 -4.81 116.55 108.64 3pva n ASP 295 Ca 0.09 -1.72 -0.13 0.00 0.71 0.00 0.00 54.79 53.73 3pva n ASP 295 Cb 0.39 -0.10 -0.12 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 -1.44 0.44 0.00 -2.24 3.04 -0.58 -2.12 114.94 112.05 3pva s ASN 296 Ca 0.28 0.42 0.28 0.00 0.04 0.00 0.00 52.86 53.88 3pva s ASN 296 Cb 0.15 0.81 1.00 0.00 -1.54 0.00 0.00 41.25 41.67 3pva s ASN 296 CO 0.22 -0.27 1.71 -1.54 -3.04 0.00 0.00 177.10 174.19 3pva n SER 297 N 5.35 1.26 -4.68 -4.21 3.41 -1.26 -2.71 113.62 110.79 3pva n SER 297 Ca -0.06 -1.26 -0.43 0.00 -0.26 0.00 0.00 58.87 56.87 3pva n SER 297 Cb 0.50 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.17 4.30 0.13 4.33 3.52 -1.26 -4.97 118.95 122.83 3pva s ARG 298 Ca 0.34 1.70 -0.30 0.00 -0.13 0.00 0.00 55.73 57.34 3pva s ARG 298 Cb 0.20 -3.65 -0.06 0.00 -1.56 0.00 0.00 34.95 29.88 3pva s ARG 298 CO 0.40 -0.57 1.05 0.42 -0.81 0.00 0.00 175.30 175.79 3pva s ILE 299 N 2.77 4.17 -0.04 4.11 1.01 -1.26 -4.58 121.20 127.38 3pva s ILE 299 Ca 0.56 1.79 0.07 0.00 0.00 0.00 0.00 60.65 63.07 3pva s ILE 299 Cb -0.24 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 3pva s ILE 299 CO 0.20 0.27 -0.24 -0.44 0.00 0.00 0.00 174.94 174.73 3pva s SER 300 N 0.12 3.21 0.02 3.58 0.01 -0.27 -4.92 113.70 115.44 3pva s SER 300 Ca 0.50 -0.44 0.08 0.00 1.31 0.00 0.00 55.95 57.40 3pva s SER 300 Cb -0.27 -0.57 -0.02 0.00 0.21 0.00 0.00 66.02 65.37 3pva s SER 300 CO 0.32 0.30 -0.24 0.00 0.41 0.00 0.00 173.24 174.03 3pva s ALA 301 N -0.49 2.02 -0.06 1.44 0.00 -1.26 -1.18 121.76 122.23 3pva s ALA 301 Ca 0.06 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.94 3pva s ALA 301 Cb -0.11 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.56 3pva s ALA 301 CO 0.01 0.48 -0.16 0.08 0.00 0.00 0.00 175.76 176.17 3pva s VAL 302 N -0.70 1.37 -0.22 0.00 1.01 -0.01 -4.98 120.40 116.86 3pva s VAL 302 Ca 0.10 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 3pva s VAL 302 Cb -0.09 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 3pva s VAL 302 CO 0.01 0.40 0.18 -0.55 0.00 0.00 0.00 175.10 175.15 3pva s SER 303 N 0.39 6.19 0.00 3.32 0.15 -1.26 -0.38 113.70 122.11 3pva s SER 303 Ca -0.11 0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.49 3pva s SER 303 Cb -0.15 -2.12 -0.19 0.00 -1.71 0.00 0.00 66.02 61.86 3pva s SER 303 CO 0.04 0.08 1.34 0.25 1.20 0.00 0.00 173.24 176.15 3pva h LEU 304 N 7.27 -0.05 -1.32 3.45 5.85 -1.79 -3.20 115.31 125.52 3pva h LEU 304 Ca -0.39 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 57.97 3pva h LEU 304 Cb 1.16 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3pva h LEU 304 CO 0.69 0.34 0.00 0.23 -0.34 0.00 0.00 178.44 179.37 3pva n MET 305 N -4.93 0.13 0.15 1.25 2.81 -1.26 -1.91 117.12 113.35 3pva n MET 305 Ca -0.08 0.63 0.13 0.00 -1.81 0.00 0.00 57.70 56.56 3pva n MET 305 Cb 0.21 -1.92 0.36 0.00 -0.71 0.00 0.00 33.22 31.16 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 1.99 1.00 -1.27 3.04 0.00 -1.96 -3.46 119.26 118.61 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 0.00 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.83 3pva h ALA 306 CO 0.00 0.00 -0.16 -1.21 0.00 0.00 0.00 179.25 177.88 3pva s GLU 307 N -3.18 2.55 -0.42 0.00 0.41 -0.80 -5.05 118.70 112.21 3pva s GLU 307 Ca 0.09 -1.31 -0.24 0.00 -0.41 0.00 0.00 54.97 53.10 3pva s GLU 307 Cb 0.10 -2.66 0.02 0.00 -1.78 0.00 0.00 34.13 29.81 3pva s GLU 307 CO 0.60 -0.59 0.83 1.21 -0.49 0.00 0.00 175.26 176.81 3pva s ASN 308 N -4.49 6.50 0.00 -0.19 2.47 -1.26 -4.89 114.94 113.08 3pva s ASN 308 Ca 0.58 0.16 0.22 0.00 0.42 0.00 0.00 52.86 54.24 3pva s ASN 308 Cb -0.08 -2.41 1.18 0.00 -1.45 0.00 0.00 41.25 38.49 3pva s ASN 308 CO 0.36 -0.89 1.71 0.18 -3.72 0.00 0.00 177.10 174.75 3pva n LEU 309 N 6.74 0.00 -0.92 3.21 4.77 -1.26 -1.65 117.00 127.89 3pva n LEU 309 Ca 0.04 0.20 0.08 0.00 -0.03 0.00 0.00 56.01 56.29 3pva n LEU 309 Cb 0.48 -0.20 0.22 0.00 -2.33 0.00 0.00 43.42 41.60 3pva n LEU 309 CO 0.58 -0.06 0.69 0.59 -1.33 0.00 0.00 177.39 177.87 3pva n ASN 310 N -1.20 3.48 -4.61 -1.43 4.13 -1.26 -0.08 115.26 114.29 3pva n ASN 310 Ca 0.12 -2.21 -0.35 0.00 1.68 0.00 0.00 54.58 53.82 3pva n ASN 310 Cb 0.14 -0.36 0.09 0.00 -1.54 0.00 0.00 39.78 38.11 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 0.63 0.41 0.06 6.41 7.64 -0.66 -4.89 113.62 123.23 3pva n SER 311 Ca 0.17 0.64 -0.08 0.00 1.01 0.00 0.00 58.87 60.62 3pva n SER 311 Cb 0.59 -1.41 -0.12 0.00 -1.01 0.00 0.00 64.21 62.26 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 -0.37 0.02 -6.23 1.43 1.08 -1.93 -3.44 115.11 105.67 3pva h GLN 312 Ca -0.47 -0.04 -0.48 0.00 -1.45 0.00 0.00 58.65 56.21 3pva h GLN 312 Cb 1.33 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.75 3pva h GLN 312 CO 0.46 1.02 -0.44 -0.51 -0.95 0.00 0.00 178.83 178.42 3pva s ASP 313 N -6.75 5.61 0.26 1.46 1.01 -1.26 -4.96 116.67 112.04 3pva s ASP 313 Ca 0.01 -0.31 -0.29 0.00 0.71 0.00 0.00 52.55 52.66 3pva s ASP 313 Cb 0.10 -1.21 -0.09 0.00 1.01 0.00 0.00 42.92 42.72 3pva s ASP 313 CO 0.83 -0.28 1.19 -0.76 0.21 0.00 0.00 175.17 176.36 3pva s LEU 314 N -4.01 4.48 -0.34 1.23 1.02 -1.26 -4.65 118.68 115.16 3pva s LEU 314 Ca 0.40 2.37 -0.08 0.00 0.02 0.00 0.00 54.13 56.84 3pva s LEU 314 Cb -0.07 -3.63 0.02 0.00 0.02 0.00 0.00 46.19 42.53 3pva s LEU 314 CO 0.28 -0.33 0.13 -0.63 0.02 0.00 0.00 176.35 175.81 3pva s ILE 315 N -0.75 4.12 0.10 -0.59 1.01 -1.03 -4.95 121.20 119.11 3pva s ILE 315 Ca 0.49 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 60.32 3pva s ILE 315 Cb -0.34 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 3pva s ILE 315 CO 0.42 -0.11 -0.09 0.42 0.00 0.00 0.00 174.94 175.59 3pva s THR 316 N 1.49 3.46 -0.12 2.92 -4.23 -1.26 -0.13 115.64 117.76 3pva s THR 316 Ca 0.01 -1.21 -0.00 0.00 -1.18 0.00 0.00 61.69 59.31 3pva s THR 316 Cb -0.19 -2.62 0.02 0.00 1.34 0.00 0.00 72.50 71.06 3pva s THR 316 CO 0.04 0.13 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.79 3pva s PHE 317 N -1.22 1.70 0.52 3.99 0.40 0.93 -4.97 117.98 119.34 3pva s PHE 317 Ca 0.22 -0.89 -0.17 0.00 -0.60 0.00 0.00 56.93 55.49 3pva s PHE 317 Cb -0.11 -1.34 -0.07 0.00 0.51 0.00 0.00 43.02 42.00 3pva s PHE 317 CO 0.14 -0.56 1.01 -2.00 0.70 0.00 0.00 175.22 174.51 3pva s GLU 318 N 1.62 3.79 0.24 0.44 2.56 -1.26 0.19 118.70 126.28 3pva s GLU 318 Ca 0.05 1.09 -0.30 0.00 0.00 0.00 0.00 54.97 55.81 3pva s GLU 318 Cb -0.13 -2.11 -0.09 0.00 2.00 0.00 0.00 34.13 33.81 3pva s GLU 318 CO -0.09 -0.41 1.03 -1.58 -0.56 0.00 0.00 175.26 173.65 3pva s TRP 319 N -2.46 3.75 -0.54 5.30 0.52 -1.26 -4.89 118.94 119.36 3pva s TRP 319 Ca 0.61 1.78 -0.07 0.00 0.02 0.00 0.00 56.10 58.44 3pva s TRP 319 Cb -0.12 -3.16 0.14 0.00 -1.15 0.00 0.00 33.47 29.18 3pva s TRP 319 CO 0.30 -0.14 0.40 0.34 0.02 0.00 0.00 176.95 177.87 3pva s ASP 320 N -0.85 5.66 0.00 2.95 2.15 -1.26 -4.95 116.67 120.37 3pva s ASP 320 Ca 0.44 -2.24 0.10 0.00 0.43 0.00 0.00 52.55 51.28 3pva s ASP 320 Cb -0.29 -1.97 0.61 0.00 -0.30 0.00 0.00 42.92 40.96 3pva s ASP 320 CO 0.36 -0.59 1.28 -1.14 -0.17 0.00 0.00 175.17 174.92 3pva n ARG 321 N 4.43 0.86 -3.55 4.34 3.00 -1.26 -4.75 116.66 119.74 3pva n ARG 321 Ca -0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.49 3pva n ARG 321 Cb 0.41 -1.19 -0.05 0.00 0.00 0.00 0.00 32.46 31.63 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 -0.28 -0.14 -0.14 -1.26 -4.62 119.74 115.09 3pva s LYS 322 Ca 0.15 0.22 -0.29 0.00 -1.36 0.00 0.00 55.97 54.70 3pva s LYS 322 Cb 0.07 -3.00 -0.02 0.00 -1.68 0.00 0.00 37.83 33.20 3pva s LYS 322 CO 0.12 0.56 1.60 -1.14 -0.76 0.00 0.00 175.35 175.73 3pva s GLN 323 N -1.87 3.67 -1.42 1.68 2.00 -0.90 -4.49 119.66 118.33 3pva s GLN 323 Ca 0.33 1.47 -0.15 0.00 -2.00 0.00 0.00 55.36 55.01 3pva s GLN 323 Cb -0.14 -4.06 0.05 0.00 0.80 0.00 0.00 33.01 29.66 3pva s GLN 323 CO 0.18 -1.45 2.11 -3.47 -0.50 0.00 0.00 175.29 172.16 3pva n ASP 324 N 8.85 4.12 -4.73 6.67 -0.08 -1.26 -4.95 116.55 125.17 3pva n ASP 324 Ca 0.19 -2.86 -0.41 0.00 -1.51 0.00 0.00 54.79 50.20 3pva n ASP 324 Cb 0.46 -1.68 -0.03 0.00 2.34 0.00 0.00 41.12 42.21 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 3.46 3.81 -0.23 5.18 -1.09 -1.26 -4.86 121.20 126.21 3pva s ILE 325 Ca 0.49 1.45 -0.16 0.00 -2.23 0.00 0.00 60.65 60.19 3pva s ILE 325 Cb 0.12 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 3pva s ILE 325 CO -0.05 0.20 0.41 -0.75 -1.23 0.00 0.00 174.94 173.52 3pva s LYS 326 N 0.17 4.12 -0.21 2.79 2.20 -1.26 -5.04 119.74 122.51 3pva s LYS 326 Ca 0.54 0.19 -0.23 0.00 -0.36 0.00 0.00 55.97 56.11 3pva s LYS 326 Cb -0.31 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.42 3pva s LYS 326 CO 0.34 -0.14 0.72 -0.65 -0.36 0.00 0.00 175.35 175.26 3pva s GLN 327 N 1.64 4.20 0.03 4.03 -0.21 -1.26 -4.92 119.66 123.16 3pva s GLN 327 Ca 0.19 0.77 0.05 0.00 0.02 0.00 0.00 55.36 56.39 3pva s GLN 327 Cb -0.15 -3.61 -0.24 0.00 1.00 0.00 0.00 33.01 30.01 3pva s GLN 327 CO 0.09 -0.37 0.95 -0.07 -2.12 0.00 0.00 175.29 173.77 3pva h LEU 328 N 8.63 0.13 0.00 2.90 4.07 -2.01 -3.47 115.31 125.56 3pva h LEU 328 Ca -0.28 -0.18 -0.29 0.00 0.08 0.00 0.00 57.88 57.22 3pva h LEU 328 Cb 1.12 -0.04 -0.07 0.00 1.08 0.00 0.00 40.66 42.75 3pva h LEU 328 CO 0.81 1.15 -0.27 -0.46 -1.08 0.00 0.00 178.44 178.60 3pva n ASN 329 N -3.29 0.09 -4.56 -0.43 6.94 -1.26 -5.05 115.26 107.69 3pva n ASN 329 Ca -0.10 -2.25 -0.33 0.00 -0.02 0.00 0.00 54.58 51.88 3pva n ASN 329 Cb 1.01 0.83 -0.04 0.00 -2.36 0.00 0.00 39.78 39.22 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 2.99 0.89 -3.83 2.00 -1.26 -4.97 119.66 112.66 3pva s GLN 330 Ca 0.19 -0.80 -0.12 0.00 -2.00 0.00 0.00 55.36 52.64 3pva s GLN 330 Cb 0.01 -5.22 0.12 0.00 0.80 0.00 0.00 33.01 28.73 3pva s GLN 330 CO 0.14 -3.00 1.10 0.08 -0.50 0.00 0.00 175.29 173.11 3pva s VAL 331 N 8.13 2.64 -0.38 1.34 1.01 -1.26 -4.96 120.40 126.92 3pva s VAL 331 Ca 0.61 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.87 3pva s VAL 331 Cb -0.03 -2.77 0.70 0.00 0.00 0.00 0.00 36.38 34.28 3pva s VAL 331 CO -0.01 -0.27 1.84 -3.20 0.00 0.00 0.00 175.10 173.46 3pva n ASN 332 N -3.80 4.22 -3.03 3.32 5.15 -1.26 -4.99 115.26 114.87 3pva n ASN 332 Ca 0.07 -3.43 -0.10 0.00 -0.60 0.00 0.00 54.58 50.52 3pva n ASN 332 Cb 0.56 -0.78 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 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 -0.66 -1.31 -1.63 3.44 0.31 -1.26 -5.31 118.33 111.90 3pva n VAL 333 Ca 0.49 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 3pva n VAL 333 Cb 1.50 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 3pva n VAL 333 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31