#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vle n GLY 2 N 0.00 -0.82 3.99 3.03 0.00 -1.26 -4.86 105.19 105.27 1vle n GLY 2 Ca 0.00 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 1vle n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vle s GLU 3 N -1.42 2.93 -0.09 1.61 0.41 -1.26 -4.70 118.70 116.18 1vle s GLU 3 Ca 0.00 -1.17 -0.25 0.00 -0.41 0.00 0.00 54.97 53.14 1vle s GLU 3 Cb 0.00 -2.76 -0.03 0.00 -1.78 0.00 0.00 34.13 29.56 1vle s GLU 3 CO 0.00 -0.13 0.80 0.08 -0.49 0.00 0.00 175.26 175.52 1vle s VAL 4 N -2.29 4.95 -0.02 2.63 1.01 -1.26 -4.43 120.40 121.00 1vle s VAL 4 Ca 0.51 1.63 0.08 0.00 0.00 0.00 0.00 61.98 64.19 1vle s VAL 4 Cb -0.09 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1vle s VAL 4 CO 0.32 0.15 -0.26 -0.69 0.00 0.00 0.00 175.10 174.63 1vle s VAL 5 N 1.32 2.03 -0.37 2.92 1.01 0.39 -4.94 120.40 122.76 1vle s VAL 5 Ca 0.41 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 1vle s VAL 5 Cb -0.18 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1vle s VAL 5 CO 0.18 0.56 0.51 -0.60 0.00 0.00 0.00 175.10 175.75 1vle s ARG 6 N -0.64 3.52 0.55 2.72 3.52 -1.26 -0.85 118.95 126.51 1vle s ARG 6 Ca 0.10 -0.26 0.06 0.00 -0.13 0.00 0.00 55.73 55.49 1vle s ARG 6 Cb -0.10 -3.84 0.04 0.00 -1.56 0.00 0.00 34.95 29.49 1vle s ARG 6 CO -0.01 -0.71 0.44 -0.51 -0.81 0.00 0.00 175.30 173.70 1vle s LEU 7 N 2.40 2.72 0.16 -0.88 1.43 0.98 -4.90 118.68 120.59 1vle s LEU 7 Ca 0.18 -1.22 0.08 0.00 -1.03 0.00 0.00 54.13 52.15 1vle s LEU 7 Cb -0.15 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 1vle s LEU 7 CO 0.14 -1.13 -0.18 0.42 0.23 0.00 0.00 176.35 175.82 1vle s THR 8 N -2.77 1.80 0.07 5.49 -4.23 -1.26 -0.16 115.64 114.58 1vle s THR 8 Ca 0.36 -1.87 -0.16 0.00 -1.18 0.00 0.00 61.69 58.85 1vle s THR 8 Cb -0.03 -1.80 0.05 0.00 1.34 0.00 0.00 72.50 72.06 1vle s THR 8 CO 0.23 -0.29 0.73 -3.20 -0.54 0.00 0.00 174.62 171.54 1vle n ASN 9 N 0.39 -0.98 -2.19 3.99 2.85 -0.94 -1.59 115.26 116.79 1vle n ASN 9 Ca -0.14 -1.42 -0.08 0.00 -0.11 0.00 0.00 54.58 52.83 1vle n ASN 9 Cb 0.57 1.57 -0.01 0.00 1.24 0.00 0.00 39.78 43.14 1vle n ASN 9 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1vle n SER 10 N -0.92 -0.97 -3.40 1.20 2.88 -1.26 -1.18 113.62 109.96 1vle n SER 10 Ca 0.00 -2.12 -0.04 0.00 -1.33 0.00 0.00 58.87 55.39 1vle n SER 10 Cb 0.37 1.75 0.01 0.00 -0.75 0.00 0.00 64.21 65.59 1vle n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1vle s SER 11 N -2.31 -0.03 0.00 -3.46 1.04 -0.91 -4.76 113.70 103.27 1vle s SER 11 Ca 0.16 -0.65 0.18 0.00 0.48 0.00 0.00 55.95 56.12 1vle s SER 11 Cb -0.01 0.52 1.06 0.00 0.10 0.00 0.00 66.02 67.69 1vle s SER 11 CO 0.11 -1.02 1.52 0.35 0.98 0.00 0.00 173.24 175.18 1vle n THR 12 N -0.64 0.12 0.02 2.02 -2.24 -1.26 -1.52 114.28 110.78 1vle n THR 12 Ca -0.04 0.03 0.04 0.00 -2.27 0.00 0.00 64.05 61.81 1vle n THR 12 Cb 0.60 -0.74 0.09 0.00 -2.10 0.00 0.00 70.33 68.18 1vle n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vle n GLY 13 N 0.18 1.72 0.00 3.38 0.00 -1.26 -3.89 105.19 105.32 1vle n GLY 13 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1vle n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vle n GLY 14 N 0.35 2.59 3.79 -0.02 0.00 -0.57 -1.61 105.19 109.72 1vle n GLY 14 Ca 0.08 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 1vle n GLY 14 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1vle s PRO 15 N -2.48 3.24 0.03 1.61 0.02 -1.26 -2.15 135.00 134.01 1vle s PRO 15 Ca 0.00 1.27 -0.08 0.00 0.02 0.00 0.00 61.00 62.21 1vle s PRO 15 Cb 0.00 -2.02 -0.00 0.00 0.02 0.00 0.00 34.50 32.50 1vle s PRO 15 CO 0.00 -0.88 0.16 0.14 -0.33 0.00 0.00 177.00 176.08 1vle s VAL 16 N -2.38 0.11 -0.10 3.83 -7.23 -0.32 -4.34 120.40 109.97 1vle s VAL 16 Ca 0.65 -0.94 -0.16 0.00 -1.81 0.00 0.00 61.98 59.72 1vle s VAL 16 Cb -0.17 -0.85 -0.05 0.00 0.56 0.00 0.00 36.38 35.87 1vle s VAL 16 CO 0.37 -0.52 0.40 -0.36 -0.31 0.00 0.00 175.10 174.68 1vle s PHE 17 N -2.44 3.56 -0.25 2.82 2.99 -0.20 -2.22 117.98 122.23 1vle s PHE 17 Ca -0.06 0.83 0.01 0.00 0.00 0.00 0.00 56.93 57.71 1vle s PHE 17 Cb -0.02 -2.41 0.04 0.00 0.00 0.00 0.00 43.02 40.64 1vle s PHE 17 CO -0.03 0.33 -0.10 0.08 -0.00 0.00 0.00 175.22 175.50 1vle s VAL 18 N 0.07 2.44 -0.33 -0.44 1.01 0.78 -1.61 120.40 122.32 1vle s VAL 18 Ca 0.22 -1.36 -0.22 0.00 0.00 0.00 0.00 61.98 60.63 1vle s VAL 18 Cb -0.15 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 1vle s VAL 18 CO 0.09 0.10 0.72 -0.31 0.00 0.00 0.00 175.10 175.69 1vle s TYR 19 N 1.20 3.18 0.03 5.22 1.51 -0.87 -0.01 117.35 127.61 1vle s TYR 19 Ca -0.04 0.62 0.07 0.00 -1.01 0.00 0.00 57.07 56.71 1vle s TYR 19 Cb -0.18 -3.18 -0.03 0.00 -0.11 0.00 0.00 41.96 38.46 1vle s TYR 19 CO -0.05 -0.58 -0.20 0.08 -1.11 0.00 0.00 175.55 173.68 1vle s VAL 20 N 2.84 2.63 -0.12 0.71 1.01 -0.03 -0.32 120.40 127.12 1vle s VAL 20 Ca 0.29 -1.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 1vle s VAL 20 Cb -0.14 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.21 1vle s VAL 20 CO 0.14 0.38 0.31 -0.75 0.00 0.00 0.00 175.10 175.18 1vle s LYS 21 N -1.27 0.30 -1.56 2.72 2.20 -0.67 -0.46 119.74 121.01 1vle s LYS 21 Ca 0.13 0.56 -0.12 0.00 -0.36 0.00 0.00 55.97 56.19 1vle s LYS 21 Cb -0.10 -0.01 0.09 0.00 -1.51 0.00 0.00 37.83 36.30 1vle s LYS 21 CO 0.04 -0.13 0.78 -0.25 -0.36 0.00 0.00 175.35 175.44 1vle n ASP 22 N 3.85 -3.12 -0.46 1.43 8.00 -1.26 -0.96 116.55 124.03 1vle n ASP 22 Ca -0.21 -0.91 -0.06 0.00 0.71 0.00 0.00 54.79 54.32 1vle n ASP 22 Cb 0.55 -3.33 -0.03 0.00 -0.02 0.00 0.00 41.12 38.29 1vle n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vle n GLY 23 N -1.63 0.78 3.06 0.44 0.00 -1.26 -4.87 105.19 101.72 1vle n GLY 23 Ca -0.04 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 1vle n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vle s LYS 24 N -2.08 1.82 0.07 1.61 2.20 -0.13 -4.71 119.74 118.51 1vle s LYS 24 Ca 0.00 -0.50 -0.31 0.00 -0.36 0.00 0.00 55.97 54.81 1vle s LYS 24 Cb 0.00 -1.50 -0.07 0.00 -1.51 0.00 0.00 37.83 34.74 1vle s LYS 24 CO 0.00 0.09 1.46 0.42 -0.36 0.00 0.00 175.35 176.95 1vle s ILE 25 N 0.48 3.36 -0.18 5.43 1.01 -1.26 -1.66 121.20 128.38 1vle s ILE 25 Ca -0.12 0.88 0.03 0.00 0.00 0.00 0.00 60.65 61.43 1vle s ILE 25 Cb -0.15 -3.56 -0.22 0.00 0.01 0.00 0.00 42.46 38.54 1vle s ILE 25 CO 0.04 0.03 0.13 -0.38 0.00 0.00 0.00 174.94 174.76 1vle n ILE 26 N 4.36 1.59 -3.52 2.92 5.41 0.57 -4.96 119.36 125.73 1vle n ILE 26 Ca 0.13 -0.67 -0.08 0.00 1.00 0.00 0.00 62.75 63.13 1vle n ILE 26 Cb 0.42 -1.35 -0.02 0.00 -0.71 0.00 0.00 39.64 37.98 1vle n ILE 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vle s ARG 27 N -2.54 0.74 -0.05 0.38 1.70 -1.22 -5.02 118.95 112.94 1vle s ARG 27 Ca -0.23 -0.24 0.04 0.00 -0.47 0.00 0.00 55.73 54.82 1vle s ARG 27 Cb 0.08 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1vle s ARG 27 CO 0.72 -0.32 -0.16 -1.64 -1.08 0.00 0.00 175.30 172.83 1vle s MET 28 N -2.88 1.76 0.11 3.89 -1.94 -1.26 -2.05 119.30 116.92 1vle s MET 28 Ca 0.05 -0.55 -0.00 0.00 -1.71 0.00 0.00 55.69 53.48 1vle s MET 28 Cb -0.01 -1.50 -0.04 0.00 2.01 0.00 0.00 34.83 35.29 1vle s MET 28 CO -0.08 0.18 0.01 0.95 -0.01 0.00 0.00 175.02 176.07 1vle s THR 29 N 0.22 0.28 1.05 2.05 -4.23 -0.64 -4.95 115.64 109.42 1vle s THR 29 Ca -0.07 -1.89 -0.12 0.00 -1.18 0.00 0.00 61.69 58.43 1vle s THR 29 Cb -0.13 -1.85 0.22 0.00 1.34 0.00 0.00 72.50 72.09 1vle s THR 29 CO 0.03 -0.68 1.07 -2.84 -0.54 0.00 0.00 174.62 171.65 1vle s PRO 30 N -3.97 -0.01 -0.21 3.99 0.02 -1.26 -1.04 135.00 132.52 1vle s PRO 30 Ca 0.17 0.85 -0.09 0.00 0.02 0.00 0.00 61.00 61.95 1vle s PRO 30 Cb 0.07 -1.66 -0.04 0.00 0.02 0.00 0.00 34.50 32.89 1vle s PRO 30 CO -0.02 -3.11 0.10 -1.64 -0.33 0.00 0.00 177.00 171.99 1vle s MET 31 N -4.68 3.96 -0.18 5.54 -1.94 -1.26 -4.45 119.30 116.28 1vle s MET 31 Ca 0.67 -0.34 -0.08 0.00 -1.71 0.00 0.00 55.69 54.23 1vle s MET 31 Cb -0.22 -3.35 -0.04 0.00 2.01 0.00 0.00 34.83 33.23 1vle s MET 31 CO 0.61 0.12 0.09 -0.51 -0.01 0.00 0.00 175.02 175.32 1vle s ASP 32 N 0.82 5.87 0.59 3.03 1.01 -1.26 -0.04 116.67 126.70 1vle s ASP 32 Ca 0.05 0.16 -0.16 0.00 0.71 0.00 0.00 52.55 53.31 1vle s ASP 32 Cb -0.13 -2.00 -0.04 0.00 1.01 0.00 0.00 42.92 41.76 1vle s ASP 32 CO 0.02 0.19 1.06 -0.36 0.21 0.00 0.00 175.17 176.30 1vle s PHE 33 N 0.26 2.96 -0.44 4.23 2.99 -0.83 -5.00 117.98 122.15 1vle s PHE 33 Ca 0.06 1.52 -0.05 0.00 0.00 0.00 0.00 56.93 58.45 1vle s PHE 33 Cb -0.12 -3.02 0.12 0.00 0.00 0.00 0.00 43.02 39.99 1vle s PHE 33 CO -0.00 -1.15 0.26 0.34 -0.00 0.00 0.00 175.22 174.67 1vle s ASP 34 N -2.72 5.41 0.30 1.36 -1.08 -1.26 -4.96 116.67 113.71 1vle s ASP 34 Ca 0.64 -2.02 0.17 0.00 -0.52 0.00 0.00 52.55 50.82 1vle s ASP 34 Cb -0.16 -1.89 0.94 0.00 -1.46 0.00 0.00 42.92 40.34 1vle s ASP 34 CO 0.36 -0.59 1.49 0.47 0.52 0.00 0.00 175.17 177.42 1vle n ASP 35 N 4.66 0.45 0.22 -0.34 8.00 -1.26 -0.03 116.55 128.25 1vle n ASP 35 Ca -0.04 0.67 0.11 0.00 0.71 0.00 0.00 54.79 56.25 1vle n ASP 35 Cb 0.41 -0.70 0.31 0.00 -0.02 0.00 0.00 41.12 41.12 1vle n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vle h ALA 36 N 1.72 0.95 0.00 2.24 0.00 -2.01 -3.37 119.26 118.80 1vle h ALA 36 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1vle h ALA 36 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1vle h ALA 36 CO 0.00 0.14 -0.10 1.33 0.00 0.00 0.00 179.25 180.62 1vle n VAL 37 N -3.16 0.00 -3.91 0.00 0.24 0.03 -5.04 118.33 106.49 1vle n VAL 37 Ca 0.02 -0.16 -0.36 0.00 -2.04 0.00 0.00 64.34 61.81 1vle n VAL 37 Cb 0.49 0.81 -0.12 0.00 -1.47 0.00 0.00 33.84 33.56 1vle n VAL 37 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1vle s ASP 38 N -0.51 5.28 0.49 -1.34 1.01 0.96 -4.96 116.67 117.61 1vle s ASP 38 Ca 0.00 -0.10 -0.20 0.00 0.71 0.00 0.00 52.55 52.96 1vle s ASP 38 Cb 0.00 -1.93 -0.11 0.00 1.01 0.00 0.00 42.92 41.89 1vle s ASP 38 CO 0.00 0.05 0.52 0.00 0.21 0.00 0.00 175.17 175.95 1vle n ALA 39 N 4.33 -1.34 -1.29 5.23 0.00 -1.26 -4.55 120.51 121.63 1vle n ALA 39 Ca -0.16 0.07 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 1vle n ALA 39 Cb 0.52 -1.79 0.09 0.00 0.00 0.00 0.00 19.45 18.26 1vle n ALA 39 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1vle s PRO 40 N -1.79 2.23 0.72 0.00 0.02 -1.26 -4.95 135.00 129.97 1vle s PRO 40 Ca 0.65 1.46 -0.09 0.00 0.02 0.00 0.00 61.00 63.04 1vle s PRO 40 Cb -0.52 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.17 1vle s PRO 40 CO 0.57 -1.70 1.06 -1.12 -0.33 0.00 0.00 177.00 175.48 1vle s SER 41 N -2.64 5.00 0.85 2.53 0.01 -1.26 -4.10 113.70 114.09 1vle s SER 41 Ca 0.67 0.75 -0.12 0.00 1.31 0.00 0.00 55.95 58.57 1vle s SER 41 Cb -0.22 -1.45 0.10 0.00 0.21 0.00 0.00 66.02 64.66 1vle s SER 41 CO 0.48 -1.54 1.10 -1.66 0.41 0.00 0.00 173.24 172.04 1vle s TRP 42 N -3.33 2.62 0.03 2.43 1.48 -1.26 -4.93 118.94 115.98 1vle s TRP 42 Ca 0.59 1.10 0.01 0.00 -1.06 0.00 0.00 56.10 56.74 1vle s TRP 42 Cb -0.11 -3.19 -0.02 0.00 -1.16 0.00 0.00 33.47 28.99 1vle s TRP 42 CO 0.48 -2.08 -0.05 0.15 -4.06 0.00 0.00 176.95 171.38 1vle s LYS 43 N -5.13 0.42 -0.09 3.25 1.02 -1.26 -4.49 119.74 113.45 1vle s LYS 43 Ca 0.62 -0.63 -0.01 0.00 0.02 0.00 0.00 55.97 55.97 1vle s LYS 43 Cb -0.15 -0.14 0.03 0.00 -0.52 0.00 0.00 37.83 37.05 1vle s LYS 43 CO 0.55 0.01 -0.01 0.42 -0.92 0.00 0.00 175.35 175.40 1vle s ILE 44 N -1.27 0.55 -0.21 2.17 1.01 -0.25 -4.97 121.20 118.23 1vle s ILE 44 Ca -0.11 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.32 1vle s ILE 44 Cb -0.09 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 1vle s ILE 44 CO -0.00 0.24 0.48 -1.61 0.00 0.00 0.00 174.94 174.05 1vle s GLU 45 N 1.90 4.17 -0.18 2.79 8.01 -1.26 -0.48 118.70 133.65 1vle s GLU 45 Ca 0.04 0.34 -0.15 0.00 0.01 0.00 0.00 54.97 55.21 1vle s GLU 45 Cb -0.13 -3.56 0.05 0.00 -4.31 0.00 0.00 34.13 26.18 1vle s GLU 45 CO -0.06 -0.13 0.48 0.00 0.01 0.00 0.00 175.26 175.55 1vle s ALA 46 N 1.60 -1.19 -1.56 5.21 0.00 -0.10 -4.94 121.76 120.77 1vle s ALA 46 Ca 0.22 1.43 -0.03 0.00 0.00 0.00 0.00 51.96 53.59 1vle s ALA 46 Cb -0.15 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1vle s ALA 46 CO 0.09 -0.24 0.16 0.54 0.00 0.00 0.00 175.76 176.31 1vle n ARG 47 N 3.15 -1.41 -0.61 0.00 1.74 -1.26 -0.19 116.66 118.08 1vle n ARG 47 Ca -0.15 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1vle n ARG 47 Cb 0.57 -3.91 0.00 0.00 -1.02 0.00 0.00 32.46 28.09 1vle n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vle n GLY 48 N -2.29 1.54 3.72 -0.13 0.00 -1.26 -5.01 105.19 101.76 1vle n GLY 48 Ca -0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1vle n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vle s LYS 49 N -0.07 2.21 -0.21 1.61 1.02 0.73 -5.12 119.74 119.91 1vle s LYS 49 Ca 0.00 -1.82 0.01 0.00 0.02 0.00 0.00 55.97 54.18 1vle s LYS 49 Cb 0.00 -1.98 0.05 0.00 -0.52 0.00 0.00 37.83 35.38 1vle s LYS 49 CO 0.00 -0.07 -0.10 0.99 -0.92 0.00 0.00 175.35 175.24 1vle s THR 50 N -2.58 1.76 -0.19 2.17 2.01 -1.26 -0.92 115.64 116.63 1vle s THR 50 Ca 0.40 -1.16 -0.07 0.00 0.31 0.00 0.00 61.69 61.17 1vle s THR 50 Cb 0.03 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 1vle s THR 50 CO 0.22 0.12 0.06 -0.36 -0.69 0.00 0.00 174.62 173.97 1vle s PHE 51 N 1.33 3.21 -0.05 4.92 0.40 0.37 -4.92 117.98 123.24 1vle s PHE 51 Ca -0.03 -0.02 -0.02 0.00 -0.60 0.00 0.00 56.93 56.26 1vle s PHE 51 Cb -0.17 -2.09 0.03 0.00 0.51 0.00 0.00 43.02 41.30 1vle s PHE 51 CO -0.08 0.07 0.11 -0.08 0.70 0.00 0.00 175.22 175.95 1vle s THR 52 N 0.54 -0.04 1.09 0.64 -1.32 -1.26 -1.09 115.64 114.19 1vle s THR 52 Ca 0.03 0.16 -0.12 0.00 -1.21 0.00 0.00 61.69 60.55 1vle s THR 52 Cb -0.13 -0.19 0.24 0.00 -1.51 0.00 0.00 72.50 70.91 1vle s THR 52 CO 0.01 0.07 1.06 -2.16 -2.21 0.00 0.00 174.62 171.39 1vle s PRO 53 N 1.00 -0.36 0.42 7.08 0.04 -1.26 -5.00 135.00 136.92 1vle s PRO 53 Ca -0.08 0.99 -0.23 0.00 0.04 0.00 0.00 61.00 61.72 1vle s PRO 53 Cb -0.10 -1.61 -0.09 0.00 0.04 0.00 0.00 34.50 32.74 1vle s PRO 53 CO -0.05 -3.39 1.07 -2.14 0.04 0.00 0.00 177.00 172.53 1vle s PRO 54 N -4.54 4.06 -1.00 0.56 0.02 -1.26 -4.89 135.00 127.95 1vle s PRO 54 Ca 0.68 1.54 -0.08 0.00 0.02 0.00 0.00 61.00 63.16 1vle s PRO 54 Cb -0.24 -2.47 -0.13 0.00 0.02 0.00 0.00 34.50 31.68 1vle s PRO 54 CO 0.63 -0.24 2.92 0.54 -0.33 0.00 0.00 177.00 180.52 1vle n ARG 55 N -0.24 2.83 -3.62 5.54 5.12 -1.26 -4.77 116.66 120.26 1vle n ARG 55 Ca 0.06 -1.66 -0.05 0.00 -1.93 0.00 0.00 57.85 54.26 1vle n ARG 55 Cb 0.50 -2.47 -0.02 0.00 -1.16 0.00 0.00 32.46 29.31 1vle n ARG 55 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1vle s LYS 56 N 2.09 0.90 0.47 5.56 2.20 -1.26 -1.97 119.74 127.72 1vle s LYS 56 Ca 0.62 -0.42 0.07 0.00 -0.36 0.00 0.00 55.97 55.88 1vle s LYS 56 Cb 0.20 0.35 0.01 0.00 -1.51 0.00 0.00 37.83 36.88 1vle s LYS 56 CO -0.04 -0.40 0.44 0.95 -0.36 0.00 0.00 175.35 175.95 1vle s THR 57 N -3.07 2.38 0.11 3.43 -4.23 0.94 -4.97 115.64 110.23 1vle s THR 57 Ca 0.09 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.31 1vle s THR 57 Cb -0.01 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 1vle s THR 57 CO -0.04 0.00 -0.09 -0.94 -0.54 0.00 0.00 174.62 173.02 1vle s SER 58 N -4.24 1.41 0.21 3.99 1.04 -1.26 -4.27 113.70 110.58 1vle s SER 58 Ca 0.47 -0.94 0.05 0.00 0.48 0.00 0.00 55.95 56.01 1vle s SER 58 Cb -0.04 0.04 -0.05 0.00 0.10 0.00 0.00 66.02 66.07 1vle s SER 58 CO 0.28 -0.36 -0.08 0.27 0.98 0.00 0.00 173.24 174.33 1vle s ILE 59 N -3.15 1.37 0.43 -1.02 -4.36 -1.26 -4.41 121.20 108.80 1vle s ILE 59 Ca 0.11 -2.10 -0.02 0.00 -0.26 0.00 0.00 60.65 58.37 1vle s ILE 59 Cb 0.02 -2.15 -0.02 0.00 1.25 0.00 0.00 42.46 41.55 1vle s ILE 59 CO -0.02 -0.50 0.68 0.00 0.24 0.00 0.00 174.94 175.34 1vle s ALA 60 N -3.20 3.57 0.19 2.27 0.00 -0.63 -4.37 121.76 119.59 1vle s ALA 60 Ca 0.24 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 51.27 1vle s ALA 60 Cb 0.03 -2.32 0.18 0.00 0.00 0.00 0.00 23.12 21.00 1vle s ALA 60 CO 0.07 -0.27 1.65 -1.35 0.00 0.00 0.00 175.76 175.86 1vle h PRO 61 N 0.42 0.02 0.00 0.00 0.11 -1.92 -1.28 132.00 129.35 1vle h PRO 61 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1vle h PRO 61 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1vle h PRO 61 CO 0.61 0.02 0.00 0.10 -0.21 0.00 0.00 178.00 178.51 1vle h TYR 62 N 0.03 0.00 0.10 0.65 -0.00 -1.91 -1.26 116.97 114.58 1vle h TYR 62 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 58.73 58.64 1vle h TYR 62 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.10 1vle h TYR 62 CO -0.41 0.00 -1.91 1.15 -0.00 0.00 0.00 178.16 176.99 1vle h THR 63 N 0.00 0.70 -0.71 -0.90 2.02 -1.64 -2.87 112.91 109.50 1vle h THR 63 Ca 0.00 -2.44 0.12 0.00 0.77 0.00 0.00 66.41 64.86 1vle h THR 63 Cb 0.18 2.51 -0.05 0.00 -1.74 0.00 0.00 68.15 69.05 1vle h THR 63 CO 0.00 0.81 0.47 0.00 0.37 0.00 0.00 175.52 177.17 1vle h ALA 64 N 0.29 2.00 -0.30 6.16 0.00 -0.17 -0.85 119.26 126.39 1vle h ALA 64 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1vle h ALA 64 Cb 2.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1vle h ALA 64 CO 0.09 -0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1vle n GLY 65 N -1.50 3.73 0.32 0.00 0.00 -0.78 -4.70 105.19 102.26 1vle n GLY 65 Ca 0.13 -0.91 0.14 0.00 0.00 0.00 0.00 46.02 45.38 1vle n GLY 65 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1vle h PHE 66 N 1.98 0.00 -0.73 1.61 3.57 -0.91 -2.25 116.94 120.22 1vle h PHE 66 Ca 0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1vle h PHE 66 Cb 1.34 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.03 1vle h PHE 66 CO 0.48 0.00 0.48 -0.22 -2.23 0.00 0.00 178.31 176.82 1vle h LYS 67 N 0.00 0.53 0.00 1.11 3.64 -1.84 0.35 116.57 120.36 1vle h LYS 67 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1vle h LYS 67 Cb 0.46 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1vle h LYS 67 CO -0.00 0.35 0.00 0.66 -2.27 0.00 0.00 179.45 178.19 1vle h SER 68 N 0.54 0.00 0.42 4.20 4.64 -1.79 -2.33 113.55 119.23 1vle h SER 68 Ca 0.35 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.36 1vle h SER 68 Cb 0.60 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1vle h SER 68 CO -0.12 0.00 -1.71 0.24 -0.87 0.00 0.00 176.83 174.37 1vle h MET 69 N 0.00 0.11 0.05 4.77 2.86 -0.45 -2.90 114.93 119.36 1vle h MET 69 Ca 0.00 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1vle h MET 69 Cb 0.32 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1vle h MET 69 CO 0.00 0.81 -0.02 0.82 1.06 0.00 0.00 176.91 179.57 1vle h ILE 70 N 0.03 1.14 -0.45 -1.22 2.04 -1.00 -3.09 117.51 114.97 1vle h ILE 70 Ca -0.30 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 64.84 1vle h ILE 70 Cb 2.01 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 39.58 1vle h ILE 70 CO 0.10 0.16 0.13 -1.22 0.00 0.00 0.00 178.15 177.31 1vle n TYR 71 N -4.99 1.51 -1.82 1.37 4.01 -0.93 -4.95 117.16 111.36 1vle n TYR 71 Ca -0.08 -0.73 -0.36 0.00 -0.16 0.00 0.00 57.90 56.57 1vle n TYR 71 Cb 0.17 -0.46 0.06 0.00 -0.31 0.00 0.00 39.34 38.79 1vle n TYR 71 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1vle s SER 72 N -0.48 4.80 0.00 7.72 0.15 -1.09 -4.92 113.70 119.87 1vle s SER 72 Ca 0.35 2.50 0.28 0.00 0.70 0.00 0.00 55.95 59.78 1vle s SER 72 Cb 0.28 -2.61 1.07 0.00 -1.71 0.00 0.00 66.02 63.05 1vle s SER 72 CO 0.09 -1.86 1.77 -0.90 1.20 0.00 0.00 173.24 173.54 1vle n ASP 73 N -1.86 0.49 -1.18 5.45 5.75 -1.26 -2.94 116.55 120.99 1vle n ASP 73 Ca 0.15 -0.44 0.12 0.00 -0.01 0.00 0.00 54.79 54.61 1vle n ASP 73 Cb 0.49 -0.05 0.25 0.00 -1.03 0.00 0.00 41.12 40.77 1vle n ASP 73 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1vle n LEU 74 N -1.06 3.49 -4.72 -2.12 4.77 -1.26 -4.92 117.00 111.18 1vle n LEU 74 Ca 0.12 -1.56 -0.42 0.00 -0.03 0.00 0.00 56.01 54.12 1vle n LEU 74 Cb 0.30 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1vle n LEU 74 CO 0.26 0.78 1.16 -0.60 -1.33 0.00 0.00 177.39 177.66 1vle s ARG 75 N -1.40 4.26 -0.18 3.23 6.06 -1.15 0.37 118.95 130.14 1vle s ARG 75 Ca 0.41 2.25 -0.29 0.00 -2.50 0.00 0.00 55.73 55.60 1vle s ARG 75 Cb 0.23 -3.18 -0.05 0.00 0.06 0.00 0.00 34.95 32.01 1vle s ARG 75 CO 0.32 -0.53 2.01 0.42 -2.50 0.00 0.00 175.30 175.02 1vle s ILE 76 N 1.00 3.18 0.26 4.11 1.01 -0.68 -4.75 121.20 125.34 1vle s ILE 76 Ca 0.67 0.20 -0.03 0.00 0.00 0.00 0.00 60.65 61.49 1vle s ILE 76 Cb -0.41 -3.21 0.17 0.00 0.01 0.00 0.00 42.46 39.02 1vle s ILE 76 CO 0.32 -0.10 1.83 -0.65 0.00 0.00 0.00 174.94 176.34 1vle h PRO 77 N 13.08 0.97 -2.31 2.79 0.11 -1.90 -3.44 132.00 141.29 1vle h PRO 77 Ca -0.41 -0.17 0.23 0.00 0.11 0.00 0.00 66.00 65.76 1vle h PRO 77 Cb 1.22 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 1vle h PRO 77 CO 0.97 0.81 0.68 1.52 -0.21 0.00 0.00 178.00 181.77 1vle s TYR 78 N -5.40 0.03 0.34 0.65 -0.85 -1.26 -0.47 117.35 110.39 1vle s TYR 78 Ca -0.11 -0.32 -0.29 0.00 -0.52 0.00 0.00 57.07 55.83 1vle s TYR 78 Cb 0.16 0.65 -0.11 0.00 0.38 0.00 0.00 41.96 43.03 1vle s TYR 78 CO 0.81 -0.69 1.55 -2.14 -1.52 0.00 0.00 175.55 173.56 1vle s PRO 79 N -2.25 4.10 0.08 -3.49 0.02 -1.26 -4.58 135.00 127.63 1vle s PRO 79 Ca 0.22 2.60 0.06 0.00 0.02 0.00 0.00 61.00 63.91 1vle s PRO 79 Cb -0.01 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 31.49 1vle s PRO 79 CO 0.03 -0.60 -0.17 -1.64 -0.33 0.00 0.00 177.00 174.28 1vle s MET 80 N -1.32 0.96 -0.02 5.54 -1.94 -0.60 -2.04 119.30 119.88 1vle s MET 80 Ca 0.58 -1.03 0.04 0.00 -1.71 0.00 0.00 55.69 53.57 1vle s MET 80 Cb -0.48 -1.08 -0.00 0.00 2.01 0.00 0.00 34.83 35.28 1vle s MET 80 CO 0.56 0.25 -0.13 0.21 -0.01 0.00 0.00 175.02 175.90 1vle s LYS 81 N -1.77 1.20 -0.11 2.03 2.20 -0.02 -0.39 119.74 122.88 1vle s LYS 81 Ca 0.02 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 54.88 1vle s LYS 81 Cb -0.10 -1.11 -0.04 0.00 -1.51 0.00 0.00 37.83 35.07 1vle s LYS 81 CO 0.03 0.22 1.59 0.50 -0.36 0.00 0.00 175.35 177.33 1vle s ARG 82 N -0.07 4.10 0.22 4.03 3.52 0.46 -0.82 118.95 130.38 1vle s ARG 82 Ca 0.01 1.99 -0.09 0.00 -0.13 0.00 0.00 55.73 57.51 1vle s ARG 82 Cb -0.08 -3.96 0.32 0.00 -1.56 0.00 0.00 34.95 29.67 1vle s ARG 82 CO 0.00 -0.93 1.70 0.87 -0.81 0.00 0.00 175.30 176.13 1vle h LYS 83 N 9.62 0.24 0.00 5.12 1.57 -1.39 -0.64 116.57 131.09 1vle h LYS 83 Ca -0.36 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1vle h LYS 83 Cb 1.16 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1vle h LYS 83 CO 0.97 0.16 0.00 -1.13 -0.57 0.00 0.00 179.45 178.87 1vle n SER 84 N -5.15 0.00 -4.59 0.86 3.41 -1.26 -4.71 113.62 102.17 1vle n SER 84 Ca 0.10 -0.29 -0.38 0.00 -0.26 0.00 0.00 58.87 58.04 1vle n SER 84 Cb 0.35 -0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.07 1vle n SER 84 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1vle s PHE 85 N -2.25 3.23 -0.26 7.33 5.36 -0.25 -4.27 117.98 126.87 1vle s PHE 85 Ca 0.22 0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.35 1vle s PHE 85 Cb 0.12 -2.40 0.07 0.00 -0.34 0.00 0.00 43.02 40.47 1vle s PHE 85 CO 0.23 -0.16 0.00 0.34 -1.46 0.00 0.00 175.22 174.17 1vle s ASP 86 N 1.72 3.90 0.44 6.13 2.15 -0.75 -4.86 116.67 125.40 1vle s ASP 86 Ca 0.08 -1.37 0.19 0.00 0.43 0.00 0.00 52.55 51.88 1vle s ASP 86 Cb -0.16 -1.10 1.13 0.00 -0.30 0.00 0.00 42.92 42.49 1vle s ASP 86 CO 0.11 -0.30 1.89 -0.65 -0.17 0.00 0.00 175.17 176.04 1vle h PRO 87 N 7.97 0.34 -0.57 4.34 0.11 -1.97 -0.90 132.00 141.33 1vle h PRO 87 Ca -0.15 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1vle h PRO 87 Cb 1.06 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1vle h PRO 87 CO 0.43 0.23 0.00 0.09 -0.21 0.00 0.00 178.00 178.54 1vle n ASN 88 N -4.47 5.12 0.00 -2.05 4.13 -1.26 -4.95 115.26 111.78 1vle n ASN 88 Ca 0.17 -2.74 0.00 0.00 1.68 0.00 0.00 54.58 53.69 1vle n ASN 88 Cb 0.65 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 1vle n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vle n GLY 89 N 0.69 3.22 3.65 7.41 0.00 -0.34 -5.10 105.19 114.72 1vle n GLY 89 Ca 0.26 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1vle n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vle s GLU 90 N 3.67 4.18 0.19 1.61 0.41 -1.25 -4.85 118.70 122.66 1vle s GLU 90 Ca 0.00 1.18 0.24 0.00 -0.41 0.00 0.00 54.97 55.98 1vle s GLU 90 Cb 0.00 -3.67 0.30 0.00 -1.78 0.00 0.00 34.13 28.97 1vle s GLU 90 CO 0.00 -0.70 1.33 0.00 -0.49 0.00 0.00 175.26 175.40 1vle h ARG 91 N 7.71 0.00 -6.72 1.61 3.08 -1.82 -2.00 114.38 116.24 1vle h ARG 91 Ca -0.20 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.36 1vle h ARG 91 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 1vle h ARG 91 CO 0.98 0.00 -1.03 0.09 -1.07 0.00 0.00 179.97 178.94 1vle n ASN 92 N -2.41 -4.83 -0.37 7.04 3.02 -1.26 -4.44 115.26 112.02 1vle n ASN 92 Ca 0.03 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1vle n ASN 92 Cb 0.48 -1.87 0.14 0.00 -0.61 0.00 0.00 39.78 37.93 1vle n ASN 92 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1vle h PRO 93 N -0.82 1.20 0.00 3.52 0.11 -1.90 -1.46 132.00 132.65 1vle h PRO 93 Ca -0.63 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.41 1vle h PRO 93 Cb 1.39 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1vle h PRO 93 CO 0.40 0.79 0.00 0.00 -0.21 0.00 0.00 178.00 178.99 1vle n GLN 94 N -4.46 0.01 -0.25 1.05 0.00 -1.25 -2.08 117.38 110.40 1vle n GLN 94 Ca 0.13 0.38 0.11 0.00 0.00 0.00 0.00 57.00 57.63 1vle n GLN 94 Cb 0.10 -1.50 0.27 0.00 0.00 0.00 0.00 30.24 29.11 1vle n GLN 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1vle n LEU 95 N -1.47 3.41 -4.72 2.61 4.77 -0.55 -4.83 117.00 116.22 1vle n LEU 95 Ca 0.02 -1.58 -0.42 0.00 -0.03 0.00 0.00 56.01 53.99 1vle n LEU 95 Cb 0.06 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 1vle n LEU 95 CO 0.05 0.79 0.94 -0.13 -1.33 0.00 0.00 177.39 177.71 1vle s ARG 96 N -1.33 4.40 0.00 3.23 0.52 -0.88 -2.38 118.95 122.51 1vle s ARG 96 Ca 0.41 1.88 0.00 0.00 -0.52 0.00 0.00 55.73 57.50 1vle s ARG 96 Cb 0.23 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.39 1vle s ARG 96 CO 0.31 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 175.74 1vle n GLY 97 N 3.23 0.78 0.36 -3.53 0.00 -1.22 -4.78 105.19 100.03 1vle n GLY 97 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1vle n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vle h ALA 98 N 0.00 1.49 -0.24 4.61 0.00 -1.77 -0.71 119.26 122.65 1vle h ALA 98 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1vle h ALA 98 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1vle h ALA 98 CO 0.00 0.19 0.05 0.78 0.00 0.00 0.00 179.25 180.27 1vle h GLY 99 N 0.95 0.27 0.83 0.00 0.00 -1.83 -2.16 103.07 101.13 1vle h GLY 99 Ca 0.50 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.84 1vle h GLY 99 CO -0.28 -0.00 0.31 1.41 0.00 0.00 0.00 176.54 177.99 1vle h LEU 100 N 0.15 0.49 -2.43 3.11 4.07 -1.44 0.55 115.31 119.81 1vle h LEU 100 Ca 0.11 0.01 0.02 0.00 0.08 0.00 0.00 57.88 58.10 1vle h LEU 100 Cb 0.10 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 1vle h LEU 100 CO -0.14 0.34 0.13 0.28 -1.08 0.00 0.00 178.44 177.98 1vle h SER 101 N 0.62 0.00 -0.18 -0.43 0.02 -0.56 0.19 113.55 113.21 1vle h SER 101 Ca 0.23 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 1vle h SER 101 Cb 0.06 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1vle h SER 101 CO -0.12 0.00 -0.14 2.29 -1.14 0.00 0.00 176.83 177.72 1vle n LYS 102 N -3.51 1.88 -3.06 3.45 2.85 -0.71 -4.22 118.16 114.85 1vle n LYS 102 Ca -0.01 -3.02 -0.21 0.00 -1.05 0.00 0.00 58.31 54.02 1vle n LYS 102 Cb 0.23 -1.71 0.01 0.00 -0.65 0.00 0.00 35.03 32.90 1vle n LYS 102 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1vle n GLN 103 N -1.07 -3.50 -3.15 -1.58 3.00 0.68 -4.92 117.38 106.84 1vle n GLN 103 Ca 0.24 0.63 -0.22 0.00 -0.01 0.00 0.00 57.00 57.64 1vle n GLN 103 Cb 0.85 -5.35 -0.06 0.00 0.00 0.00 0.00 30.24 25.68 1vle n GLN 103 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1vle n ASP 104 N -2.24 -0.52 0.01 1.08 -0.08 0.19 -4.97 116.55 110.01 1vle n ASP 104 Ca -0.07 -2.72 -0.13 0.00 -1.51 0.00 0.00 54.79 50.36 1vle n ASP 104 Cb 0.58 -0.19 -0.08 0.00 2.34 0.00 0.00 41.12 43.76 1vle n ASP 104 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1vle h PRO 105 N 4.36 -0.49 -0.81 -0.67 0.11 -1.89 -2.65 132.00 129.95 1vle h PRO 105 Ca 0.08 0.03 0.23 0.00 0.11 0.00 0.00 66.00 66.45 1vle h PRO 105 Cb 0.92 0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1vle h PRO 105 CO 0.41 -0.33 0.58 -1.49 -0.21 0.00 0.00 178.00 176.96 1vle h TRP 106 N -0.51 0.04 0.00 0.65 4.06 -1.96 -1.86 115.95 116.37 1vle h TRP 106 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1vle h TRP 106 Cb 0.58 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.73 1vle h TRP 106 CO -0.55 0.01 0.00 0.66 -3.56 0.00 0.00 178.44 175.00 1vle h SER 107 N 0.03 0.00 1.28 -3.49 4.64 -1.86 -1.83 113.55 112.32 1vle h SER 107 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1vle h SER 107 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1vle h SER 107 CO -0.02 0.00 -0.06 0.47 -0.87 0.00 0.00 176.83 176.36 1vle n ASP 108 N -2.75 0.58 -4.49 4.97 9.92 -0.70 -4.92 116.55 119.16 1vle n ASP 108 Ca -0.02 0.50 -0.26 0.00 -0.53 0.00 0.00 54.79 54.48 1vle n ASP 108 Cb 0.08 -0.62 -0.10 0.00 -0.64 0.00 0.00 41.12 39.83 1vle n ASP 108 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1vle s TYR 109 N -3.08 2.42 0.11 1.24 1.51 -0.69 -0.98 117.35 117.89 1vle s TYR 109 Ca 0.11 -0.31 0.07 0.00 -1.01 0.00 0.00 57.07 55.94 1vle s TYR 109 Cb 0.14 -1.16 -0.03 0.00 -0.11 0.00 0.00 41.96 40.80 1vle s TYR 109 CO 0.59 0.55 -0.17 -1.83 -1.11 0.00 0.00 175.55 173.58 1vle s GLU 110 N -2.92 1.03 0.40 -0.62 -1.05 -0.00 -4.86 118.70 110.67 1vle s GLU 110 Ca 0.24 -1.15 -0.23 0.00 -0.15 0.00 0.00 54.97 53.68 1vle s GLU 110 Cb -0.08 -1.10 -0.10 0.00 -0.44 0.00 0.00 34.13 32.41 1vle s GLU 110 CO 0.13 0.24 0.99 0.50 0.95 0.00 0.00 175.26 178.07 1vle s ARG 111 N -2.15 4.25 0.13 -4.83 3.52 -1.26 -0.84 118.95 117.77 1vle s ARG 111 Ca 0.06 1.32 -0.11 0.00 -0.13 0.00 0.00 55.73 56.86 1vle s ARG 111 Cb -0.08 -2.44 0.01 0.00 -1.56 0.00 0.00 34.95 30.88 1vle s ARG 111 CO 0.04 -0.03 0.30 0.96 -0.81 0.00 0.00 175.30 175.75 1vle s ILE 112 N -1.86 0.09 0.65 4.11 -4.36 -0.87 -4.86 121.20 114.11 1vle s ILE 112 Ca 0.58 -1.06 -0.11 0.00 -0.26 0.00 0.00 60.65 59.81 1vle s ILE 112 Cb -0.16 -1.46 -0.02 0.00 1.25 0.00 0.00 42.46 42.07 1vle s ILE 112 CO 0.21 -0.43 1.05 -0.94 0.24 0.00 0.00 174.94 175.07 1vle s SER 113 N -2.88 5.99 0.32 4.36 1.04 -1.26 -3.99 113.70 117.28 1vle s SER 113 Ca 0.08 1.33 0.01 0.00 0.48 0.00 0.00 55.95 57.85 1vle s SER 113 Cb 0.03 -2.30 0.52 0.00 0.10 0.00 0.00 66.02 64.37 1vle s SER 113 CO -0.07 -1.01 1.93 -0.50 0.98 0.00 0.00 173.24 174.56 1vle h TRP 114 N -0.42 0.83 -0.30 5.02 4.06 -1.97 -1.13 115.95 122.05 1vle h TRP 114 Ca -0.44 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.49 1vle h TRP 114 Cb 1.21 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 29.09 1vle h TRP 114 CO 0.61 0.60 0.20 0.22 -3.56 0.00 0.00 178.44 176.51 1vle h ASP 115 N 0.84 0.35 -0.02 -3.49 3.58 -1.99 -0.81 116.42 114.89 1vle h ASP 115 Ca 0.21 -0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.41 1vle h ASP 115 Cb 0.07 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.05 1vle h ASP 115 CO -0.03 0.25 -0.91 -0.08 -2.88 0.00 0.00 179.24 175.59 1vle h GLU 116 N 0.41 0.70 -0.69 0.28 4.81 -1.89 -1.80 114.58 116.40 1vle h GLU 116 Ca 0.11 -0.67 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1vle h GLU 116 Cb -0.05 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1vle h GLU 116 CO -0.02 1.26 0.44 0.00 -0.73 0.00 0.00 179.01 179.96 1vle h ALA 117 N 0.52 0.88 -0.01 2.92 0.00 -1.13 -0.49 119.26 121.95 1vle h ALA 117 Ca -0.09 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1vle h ALA 117 Cb 1.55 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1vle h ALA 117 CO 0.18 0.33 -0.65 1.79 0.00 0.00 0.00 179.25 180.89 1vle h THR 118 N 0.94 1.46 -0.42 0.00 1.35 -1.17 -2.38 112.91 112.70 1vle h THR 118 Ca 0.25 -2.21 -0.08 0.00 -0.55 0.00 0.00 66.41 63.82 1vle h THR 118 Cb -0.07 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 1vle h THR 118 CO -0.05 0.63 -0.05 0.44 -0.25 0.00 0.00 175.52 176.25 1vle h ASP 119 N 0.03 0.76 -0.55 5.36 3.32 -0.76 -0.92 116.42 123.65 1vle h ASP 119 Ca -0.01 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 1vle h ASP 119 Cb 1.16 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 1vle h ASP 119 CO 0.09 0.91 0.27 0.40 -1.72 0.00 0.00 179.24 179.20 1vle h ILE 120 N 0.59 1.20 -0.41 0.35 2.04 -1.00 -1.03 117.51 119.25 1vle h ILE 120 Ca 0.11 -0.55 -0.09 0.00 1.00 0.00 0.00 64.86 65.34 1vle h ILE 120 Cb 0.55 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1vle h ILE 120 CO 0.03 0.22 -0.07 0.58 0.00 0.00 0.00 178.15 178.91 1vle h VAL 121 N 0.75 1.27 -0.40 1.67 2.07 -1.34 -2.66 116.25 117.62 1vle h VAL 121 Ca 0.19 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1vle h VAL 121 Cb 0.10 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1vle h VAL 121 CO -0.03 0.39 0.25 0.58 0.02 0.00 0.00 177.57 178.78 1vle h VAL 122 N 0.61 1.12 -0.28 2.57 2.07 -0.97 0.21 116.25 121.58 1vle h VAL 122 Ca 0.11 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1vle h VAL 122 Cb 0.59 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1vle h VAL 122 CO 0.04 0.12 0.14 0.00 0.02 0.00 0.00 177.57 177.89 1vle h ALA 123 N 1.12 1.72 -0.05 1.67 0.00 -1.14 -0.92 119.26 121.65 1vle h ALA 123 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1vle h ALA 123 Cb -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1vle h ALA 123 CO -0.03 0.23 -0.17 0.93 0.00 0.00 0.00 179.25 180.21 1vle h GLU 124 N 0.39 0.21 -0.03 0.00 4.39 -1.05 -1.71 114.58 116.78 1vle h GLU 124 Ca 0.10 -0.16 0.04 0.00 0.34 0.00 0.00 59.36 59.68 1vle h GLU 124 Cb 0.03 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.66 1vle h GLU 124 CO -0.02 0.78 -0.35 0.82 -1.16 0.00 0.00 179.01 179.09 1vle h ILE 125 N -0.32 0.26 -0.50 3.13 2.04 -0.45 -0.36 117.51 121.30 1vle h ILE 125 Ca -0.01 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 1vle h ILE 125 Cb 0.80 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1vle h ILE 125 CO 0.04 0.00 -0.07 0.78 0.00 0.00 0.00 178.15 178.90 1vle h ASN 126 N -0.48 0.88 -0.61 1.72 2.35 -1.27 0.40 115.58 118.57 1vle h ASN 126 Ca 0.07 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.53 1vle h ASN 126 Cb 0.58 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 1vle h ASN 126 CO -0.30 0.98 0.27 -0.09 -1.65 0.00 0.00 177.43 176.63 1vle h ARG 127 N 0.81 0.90 -0.24 0.81 2.43 -1.05 -2.06 114.38 115.98 1vle h ARG 127 Ca 0.14 -0.15 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 1vle h ARG 127 Cb 0.58 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1vle h ARG 127 CO 0.04 0.74 -0.61 0.82 -1.51 0.00 0.00 179.97 179.45 1vle h ILE 128 N 0.84 1.28 -0.81 1.20 2.04 -0.83 -2.24 117.51 118.99 1vle h ILE 128 Ca 0.21 -1.81 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 1vle h ILE 128 Cb 0.16 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1vle h ILE 128 CO -0.02 0.58 0.37 0.11 0.00 0.00 0.00 178.15 179.19 1vle h LYS 129 N 0.62 1.19 0.00 2.37 1.57 -0.81 0.22 116.57 121.72 1vle h LYS 129 Ca -0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1vle h LYS 129 Cb 1.22 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1vle h LYS 129 CO 0.13 0.93 -0.00 0.45 -0.57 0.00 0.00 179.45 180.39 1vle h HIS 130 N 1.16 0.00 0.01 -1.35 3.86 -1.37 -1.01 115.15 116.46 1vle h HIS 130 Ca 0.28 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 59.11 1vle h HIS 130 Cb 0.15 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.56 1vle h HIS 130 CO 0.02 0.00 -2.35 0.00 0.86 0.00 0.00 177.93 176.46 1vle n ALA 131 N -1.99 1.43 0.00 2.45 0.00 -0.85 -4.77 120.51 116.79 1vle n ALA 131 Ca 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1vle n ALA 131 Cb 0.50 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1vle n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1vle n TYR 132 N -3.04 0.00 0.00 0.00 4.01 0.68 -5.08 117.16 113.73 1vle n TYR 132 Ca -0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 1vle n TYR 132 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.10 1vle n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vle n GLY 133 N 1.50 1.87 0.37 2.72 0.00 -0.38 -4.56 105.19 106.71 1vle n GLY 133 Ca 0.00 -1.97 0.16 0.00 0.00 0.00 0.00 46.02 44.21 1vle n GLY 133 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1vle h PRO 134 N 0.00 0.24 0.00 1.61 0.11 -1.84 -2.19 132.00 129.92 1vle h PRO 134 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1vle h PRO 134 Cb 0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 1vle h PRO 134 CO 0.00 0.16 -0.08 0.66 -0.21 0.00 0.00 178.00 178.53 1vle h SER 135 N 0.24 0.00 0.27 -2.05 4.64 -1.87 -2.29 113.55 112.49 1vle h SER 135 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1vle h SER 135 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1vle h SER 135 CO -0.06 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1vle n ALA 136 N -2.19 2.12 -3.30 5.18 0.00 -0.82 -3.97 120.51 117.53 1vle n ALA 136 Ca -0.01 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 1vle n ALA 136 Cb 0.25 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.29 1vle n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vle s ILE 137 N -2.41 4.61 0.38 0.00 1.01 -0.86 -0.47 121.20 123.47 1vle s ILE 137 Ca 0.23 -1.48 -0.19 0.00 0.00 0.00 0.00 60.65 59.20 1vle s ILE 137 Cb 0.14 -3.90 -0.10 0.00 0.01 0.00 0.00 42.46 38.60 1vle s ILE 137 CO 0.29 -0.68 0.87 -0.22 0.00 0.00 0.00 174.94 175.20 1vle s LEU 138 N 1.48 4.02 -0.04 2.97 2.96 0.15 -1.15 118.68 129.07 1vle s LEU 138 Ca 0.04 1.56 -0.29 0.00 -0.22 0.00 0.00 54.13 55.21 1vle s LEU 138 Cb -0.26 -4.33 0.08 0.00 0.50 0.00 0.00 46.19 42.19 1vle s LEU 138 CO 0.02 -0.28 0.75 -0.55 -1.32 0.00 0.00 176.35 174.97 1vle s SER 139 N -2.16 -0.57 -0.29 3.68 0.15 -0.76 -0.01 113.70 113.74 1vle s SER 139 Ca 0.58 0.50 -0.25 0.00 0.70 0.00 0.00 55.95 57.48 1vle s SER 139 Cb -0.10 0.49 0.18 0.00 -1.71 0.00 0.00 66.02 64.88 1vle s SER 139 CO 0.15 -0.61 1.37 0.28 1.20 0.00 0.00 173.24 175.63 1vle s THR 140 N -1.69 0.00 0.00 6.45 -1.32 -1.14 -2.23 115.64 115.71 1vle s THR 140 Ca -0.06 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1vle s THR 140 Cb -0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1vle s THR 140 CO 0.04 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.64 1vle n PRO 141 N 1.67 0.42 -3.68 7.08 -0.04 -1.26 -2.23 135.00 136.95 1vle n PRO 141 Ca -0.10 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.23 1vle n PRO 141 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.00 1vle n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vle n SER 142 N 0.00 -1.25 -0.12 3.54 2.88 -1.26 -4.79 113.62 112.62 1vle n SER 142 Ca 0.00 -2.66 -0.06 0.00 -1.33 0.00 0.00 58.87 54.82 1vle n SER 142 Cb 0.00 2.31 0.02 0.00 -0.75 0.00 0.00 64.21 65.79 1vle n SER 142 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1vle h SER 143 N 1.74 0.21 -1.77 -3.46 0.02 -1.99 -3.45 113.55 104.85 1vle h SER 143 Ca -0.24 0.03 -0.50 0.00 -0.84 0.00 0.00 61.79 60.24 1vle h SER 143 Cb 1.05 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.55 1vle h SER 143 CO 0.33 0.16 -0.45 -1.00 -1.14 0.00 0.00 176.83 174.73 1vle s HIS 144 N -6.15 2.82 0.16 3.45 3.76 -1.26 -5.09 115.29 112.98 1vle s HIS 144 Ca -0.13 -0.36 -0.21 0.00 -0.15 0.00 0.00 55.06 54.21 1vle s HIS 144 Cb 0.12 -1.86 0.06 0.00 1.11 0.00 0.00 32.58 32.01 1vle s HIS 144 CO 0.72 0.14 0.55 -1.58 -0.85 0.00 0.00 174.74 173.72 1vle s HIS 145 N -2.37 -0.43 0.40 1.40 5.04 -1.26 -5.06 115.29 113.01 1vle s HIS 145 Ca 0.42 0.18 -0.25 0.00 -1.54 0.00 0.00 55.06 53.87 1vle s HIS 145 Cb -0.04 0.48 -0.11 0.00 0.04 0.00 0.00 32.58 32.94 1vle s HIS 145 CO 0.26 -0.82 1.01 -1.33 -2.34 0.00 0.00 174.74 171.52 1vle n MET 146 N -0.34 1.36 -2.12 2.88 2.81 -1.26 -4.83 117.12 115.62 1vle n MET 146 Ca -0.16 0.49 -0.38 0.00 -1.81 0.00 0.00 57.70 55.84 1vle n MET 146 Cb 0.64 -2.01 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 1vle n MET 146 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 1vle s TRP 147 N -1.25 2.76 0.00 2.03 -0.00 -1.26 -4.77 118.94 116.45 1vle s TRP 147 Ca 0.62 1.48 0.00 0.00 -0.00 0.00 0.00 56.10 58.20 1vle s TRP 147 Cb -0.58 -3.52 0.00 0.00 -0.00 0.00 0.00 33.47 29.37 1vle s TRP 147 CO 0.57 -1.89 0.00 0.41 -0.00 0.00 0.00 176.95 176.05 1vle n GLY 148 N 0.57 3.32 0.25 5.86 0.00 -1.26 -4.74 105.19 109.18 1vle n GLY 148 Ca 0.07 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1vle n GLY 148 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1vle h ASN 149 N 0.00 0.76 -0.25 1.61 4.21 -1.65 -0.10 115.58 120.16 1vle h ASN 149 Ca 0.00 -0.18 -0.12 0.00 1.21 0.00 0.00 56.30 57.20 1vle h ASN 149 Cb 0.00 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 37.00 1vle h ASN 149 CO 0.00 0.73 -0.33 0.58 -1.29 0.00 0.00 177.43 177.12 1vle h VAL 150 N 0.73 1.31 -0.00 2.81 2.07 -1.95 -3.18 116.25 118.04 1vle h VAL 150 Ca 0.18 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1vle h VAL 150 Cb 0.23 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1vle h VAL 150 CO -0.01 0.48 -0.11 0.61 0.02 0.00 0.00 177.57 178.55 1vle n GLY 151 N 0.26 -1.02 3.63 2.17 0.00 -1.22 -2.74 105.19 106.28 1vle n GLY 151 Ca -0.05 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1vle n GLY 151 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1vle n TYR 152 N -1.04 0.68 0.04 1.61 9.36 -0.05 -4.47 117.16 123.28 1vle n TYR 152 Ca 0.13 0.38 0.06 0.00 3.32 0.00 0.00 57.90 61.79 1vle n TYR 152 Cb 0.28 -2.03 0.48 0.00 -0.63 0.00 0.00 39.34 37.44 1vle n TYR 152 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1vle h ARG 153 N -1.11 0.41 0.00 2.98 0.11 -1.90 -0.56 114.38 114.30 1vle h ARG 153 Ca -0.45 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1vle h ARG 153 Cb 1.30 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1vle h ARG 153 CO 0.43 0.27 0.00 0.45 0.10 0.00 0.00 179.97 181.22 1vle h HIS 154 N 0.42 0.00 0.00 4.08 3.86 -1.90 -2.60 115.15 119.01 1vle h HIS 154 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1vle h HIS 154 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1vle h HIS 154 CO -0.00 0.00 0.00 0.45 0.86 0.00 0.00 177.93 179.24 1vle n SER 155 N -2.36 0.00 0.31 2.45 2.88 -0.29 -4.51 113.62 112.09 1vle n SER 155 Ca 0.02 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.39 1vle n SER 155 Cb 0.25 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.62 1vle n SER 155 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1vle h THR 156 N 0.00 0.45 -0.21 2.46 2.02 -1.16 -0.95 112.91 115.52 1vle h THR 156 Ca 0.00 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.20 1vle h THR 156 Cb 0.00 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 66.81 1vle h THR 156 CO 0.00 0.01 -0.25 0.22 0.37 0.00 0.00 175.52 175.86 1vle h TYR 157 N -0.77 -0.67 -0.49 3.16 3.20 -1.68 -2.13 116.97 117.59 1vle h TYR 157 Ca -0.08 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 1vle h TYR 157 Cb 0.58 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 1vle h TYR 157 CO -0.03 -0.33 0.20 0.74 -1.64 0.00 0.00 178.16 177.10 1vle h PHE 158 N -0.28 0.74 -0.68 -3.82 0.05 -1.46 -0.36 116.94 111.14 1vle h PHE 158 Ca 0.13 -0.06 0.09 0.00 3.82 0.00 0.00 57.97 61.95 1vle h PHE 158 Cb 0.47 -0.22 -0.07 0.00 2.00 0.00 0.00 35.95 38.13 1vle h PHE 158 CO -0.39 0.62 0.34 -0.09 -0.18 0.00 0.00 178.31 178.61 1vle h ARG 159 N 0.65 0.57 0.50 1.51 2.43 -0.85 -0.89 114.38 118.29 1vle h ARG 159 Ca 0.16 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1vle h ARG 159 Cb 0.19 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1vle h ARG 159 CO -0.01 0.38 -0.24 0.35 -1.51 0.00 0.00 179.97 178.94 1vle h PHE 160 N 0.59 -0.62 -0.99 2.20 3.57 -1.19 -3.29 116.94 117.21 1vle h PHE 160 Ca 0.33 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 62.02 1vle h PHE 160 Cb 0.33 0.20 -0.10 0.00 2.79 0.00 0.00 35.95 39.18 1vle h PHE 160 CO -0.11 -0.38 0.62 0.52 -2.23 0.00 0.00 178.31 176.72 1vle h MET 161 N -1.17 0.63 0.00 1.11 2.86 -0.97 0.15 114.93 117.54 1vle h MET 161 Ca -0.07 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1vle h MET 161 Cb 0.51 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 1vle h MET 161 CO 0.11 0.42 -0.05 -0.91 1.06 0.00 0.00 176.91 177.55 1vle h ASN 162 N 0.65 0.00 0.12 1.22 -0.26 -1.27 -0.65 115.58 115.40 1vle h ASN 162 Ca 0.57 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.31 1vle h ASN 162 Cb 1.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.29 1vle h ASN 162 CO -0.34 0.05 -0.43 0.23 -1.06 0.00 0.00 177.43 175.88 1vle n MET 163 N -3.43 0.88 -0.01 0.81 2.81 0.48 -4.67 117.12 113.99 1vle n MET 163 Ca -0.02 -0.64 -0.03 0.00 -1.81 0.00 0.00 57.70 55.20 1vle n MET 163 Cb 0.17 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.18 1vle n MET 163 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1vle n MET 164 N -0.50 0.17 0.00 0.03 0.00 -0.36 -5.11 117.12 111.36 1vle n MET 164 Ca 0.10 0.07 0.00 0.00 -0.00 0.00 0.00 57.70 57.87 1vle n MET 164 Cb 0.40 -0.71 0.00 0.00 0.00 0.00 0.00 33.22 32.90 1vle n MET 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vle n GLY 165 N 2.46 1.24 3.65 -5.12 0.00 -0.56 -4.92 105.19 101.95 1vle n GLY 165 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 1vle n GLY 165 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1vle s PHE 166 N 3.85 -0.01 -0.19 1.61 -0.12 -1.24 -4.86 117.98 117.02 1vle s PHE 166 Ca 0.00 0.01 -0.18 0.00 -0.05 0.00 0.00 56.93 56.71 1vle s PHE 166 Cb 0.00 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 1vle s PHE 166 CO 0.00 -0.02 0.49 0.99 -0.05 0.00 0.00 175.22 176.63 1vle s THR 167 N -1.70 5.14 -0.02 -4.49 2.01 -0.30 -4.43 115.64 111.85 1vle s THR 167 Ca 0.11 0.90 -0.12 0.00 0.31 0.00 0.00 61.69 62.89 1vle s THR 167 Cb -0.01 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 1vle s THR 167 CO -0.04 0.21 0.35 -0.47 -0.69 0.00 0.00 174.62 173.97 1vle s TYR 168 N 1.44 3.69 -0.84 4.92 5.04 -1.25 -1.83 117.35 128.52 1vle s TYR 168 Ca 0.23 0.87 -0.17 0.00 -2.44 0.00 0.00 57.07 55.55 1vle s TYR 168 Cb -0.15 -2.19 0.15 0.00 0.35 0.00 0.00 41.96 40.12 1vle s TYR 168 CO 0.09 0.65 0.95 0.00 -1.34 0.00 0.00 175.55 175.90 1vle s ALA 169 N -1.10 3.60 0.35 3.97 0.00 -0.95 -1.09 121.76 126.54 1vle s ALA 169 Ca 0.23 -2.85 -0.28 0.00 0.00 0.00 0.00 51.96 49.05 1vle s ALA 169 Cb -0.15 -3.80 -0.10 0.00 0.00 0.00 0.00 23.12 19.07 1vle s ALA 169 CO 0.12 -2.66 1.30 0.34 0.00 0.00 0.00 175.76 174.86 1vle s ASP 170 N 3.15 6.67 0.17 0.00 -1.08 -0.16 -4.50 116.67 120.91 1vle s ASP 170 Ca 0.25 2.66 -0.30 0.00 -0.52 0.00 0.00 52.55 54.64 1vle s ASP 170 Cb -0.10 -2.64 -0.07 0.00 -1.46 0.00 0.00 42.92 38.65 1vle s ASP 170 CO -0.07 -0.60 1.04 -1.00 0.52 0.00 0.00 175.17 175.07 1vle s HIS 171 N -1.18 3.70 0.54 -5.34 3.76 -1.26 -1.48 115.29 114.03 1vle s HIS 171 Ca 0.51 1.69 -0.19 0.00 -0.15 0.00 0.00 55.06 56.93 1vle s HIS 171 Cb -0.39 -3.18 -0.06 0.00 1.11 0.00 0.00 32.58 30.06 1vle s HIS 171 CO 0.51 -0.26 1.08 0.54 -0.85 0.00 0.00 174.74 175.77 1vle s ASN 172 N -0.20 5.89 -0.98 1.40 4.22 -1.26 -3.50 114.94 120.51 1vle s ASN 172 Ca 0.48 2.01 -0.06 0.00 -2.14 0.00 0.00 52.86 53.14 1vle s ASN 172 Cb -0.27 -2.56 -0.07 0.00 1.28 0.00 0.00 41.25 39.63 1vle s ASN 172 CO 0.33 -1.09 2.28 -0.81 -2.04 0.00 0.00 177.10 175.77 1vle n PRO 173 N -1.42 2.32 -0.37 3.55 -0.04 -1.26 -4.72 135.00 133.05 1vle n PRO 173 Ca 0.10 -1.53 -0.05 0.00 -0.04 0.00 0.00 63.50 61.98 1vle n PRO 173 Cb 0.52 -2.47 -0.01 0.00 -0.04 0.00 0.00 33.50 31.50 1vle n PRO 173 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1vle n ASP 174 N 3.99 -0.75 -0.11 3.54 5.68 -1.26 0.09 116.55 127.74 1vle n ASP 174 Ca 0.49 1.62 0.09 0.00 -0.50 0.00 0.00 54.79 56.49 1vle n ASP 174 Cb 0.18 -0.31 0.44 0.00 -1.14 0.00 0.00 41.12 40.29 1vle n ASP 174 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1vle h SER 175 N 0.00 0.49 0.00 -1.12 0.02 -2.00 -3.22 113.55 107.72 1vle h SER 175 Ca 0.25 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1vle h SER 175 Cb 0.48 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1vle h SER 175 CO -0.89 0.31 -1.49 0.79 -1.14 0.00 0.00 176.83 174.41 1vle n TRP 176 N -4.48 0.00 0.00 3.45 8.01 0.24 -4.52 117.44 120.14 1vle n TRP 176 Ca 0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 1vle n TRP 176 Cb 0.29 -0.28 0.00 0.00 -2.01 0.00 0.00 31.31 29.31 1vle n TRP 176 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1vle n GLU 177 N -1.89 0.00 -0.22 -0.99 -0.58 0.11 0.81 120.64 117.89 1vle n GLU 177 Ca -0.01 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.67 1vle n GLU 177 Cb 0.39 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.30 1vle n GLU 177 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1vle h GLY 178 N 0.00 0.88 1.56 0.62 0.00 -0.87 -0.18 103.07 105.08 1vle h GLY 178 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 1vle h GLY 178 CO 0.00 0.33 -0.49 1.49 0.00 0.00 0.00 176.54 177.88 1vle h TRP 179 N 0.84 0.58 0.35 5.60 4.06 0.14 0.40 115.95 127.91 1vle h TRP 179 Ca 0.23 -0.19 -0.02 0.00 2.06 0.00 0.00 58.89 60.97 1vle h TRP 179 Cb -0.07 -0.12 0.00 0.00 -1.00 0.00 0.00 29.16 27.97 1vle h TRP 179 CO -0.03 0.87 -0.17 1.25 -3.56 0.00 0.00 178.44 176.80 1vle h HIS 180 N 0.38 -0.43 0.00 0.49 2.76 -1.03 0.12 115.15 117.43 1vle h HIS 180 Ca 0.02 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1vle h HIS 180 Cb 0.99 0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.09 1vle h HIS 180 CO 0.03 -0.14 -0.17 0.91 -1.30 0.00 0.00 177.93 177.27 1vle n TRP 181 N -5.10 0.13 0.03 5.26 7.02 -0.11 -4.17 117.44 120.51 1vle n TRP 181 Ca -0.08 0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 1vle n TRP 181 Cb 0.25 -0.49 0.00 0.00 -2.42 0.00 0.00 31.31 28.65 1vle n TRP 181 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1vle n GLY 182 N 1.47 0.00 0.37 6.99 0.00 0.05 -4.83 105.19 109.24 1vle n GLY 182 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.18 1vle n GLY 182 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vle h GLY 183 N 0.00 1.14 0.06 -0.02 0.00 -0.95 -2.61 103.07 100.69 1vle h GLY 183 Ca 0.00 -0.31 0.17 0.00 0.00 0.00 0.00 47.33 47.19 1vle h GLY 183 CO 0.00 0.15 0.37 1.98 0.00 0.00 0.00 176.54 179.03 1vle h MET 184 N 0.74 0.47 0.00 4.80 -1.53 -0.93 0.24 114.93 118.72 1vle h MET 184 Ca 0.41 -0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.62 1vle h MET 184 Cb 0.55 -0.11 -0.00 0.00 -0.55 0.00 0.00 31.60 31.49 1vle h MET 184 CO -0.17 0.31 -0.09 0.45 0.14 0.00 0.00 176.91 177.55 1vle h HIS 185 N 0.48 0.00 0.10 1.39 3.86 -1.75 0.34 115.15 119.57 1vle h HIS 185 Ca 0.47 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.34 1vle h HIS 185 Cb 0.76 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 1vle h HIS 185 CO -0.14 0.09 -1.85 1.98 0.86 0.00 0.00 177.93 178.87 1vle h MET 186 N 0.00 0.21 0.00 2.45 -1.53 -0.62 -3.42 114.93 112.01 1vle h MET 186 Ca -0.00 -0.36 0.00 0.00 -3.44 0.00 0.00 59.70 55.90 1vle h MET 186 Cb 0.49 0.14 0.00 0.00 -0.55 0.00 0.00 31.60 31.68 1vle h MET 186 CO 0.01 1.04 0.00 -2.67 0.14 0.00 0.00 176.91 175.43 1vle n TRP 187 N -3.38 0.00 0.00 1.39 4.27 -0.49 0.19 117.44 119.41 1vle n TRP 187 Ca -0.26 -0.01 0.00 0.00 -3.89 0.00 0.00 57.50 53.34 1vle n TRP 187 Cb 1.05 -0.00 0.00 0.00 -1.36 0.00 0.00 31.31 31.00 1vle n TRP 187 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1vle n GLY 188 N -0.01 1.71 3.03 -1.67 0.00 0.12 -4.36 105.19 104.01 1vle n GLY 188 Ca 0.00 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 1vle n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vle n PHE 189 N 10.43 -1.76 -0.27 1.61 3.01 -1.26 -4.20 117.46 125.03 1vle n PHE 189 Ca 0.00 0.39 0.07 0.00 1.01 0.00 0.00 57.45 58.93 1vle n PHE 189 Cb 0.00 -3.61 0.31 0.00 -0.01 0.00 0.00 39.48 36.17 1vle n PHE 189 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1vle h SER 190 N -0.94 0.77 0.41 4.37 4.64 -1.90 0.94 113.55 121.84 1vle h SER 190 Ca -0.45 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1vle h SER 190 Cb 1.31 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1vle h SER 190 CO 0.52 0.46 0.00 -2.67 -0.87 0.00 0.00 176.83 174.28 1vle n TRP 191 N -4.52 0.27 -0.45 4.77 2.14 -1.13 -0.58 117.44 117.94 1vle n TRP 191 Ca 0.14 0.11 0.05 0.00 2.07 0.00 0.00 57.50 59.87 1vle n TRP 191 Cb 0.30 -0.68 0.10 0.00 -0.81 0.00 0.00 31.31 30.21 1vle n TRP 191 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1vle n ARG 192 N -1.75 2.49 -4.00 -2.67 1.74 0.17 -4.35 116.66 108.28 1vle n ARG 192 Ca 0.02 -2.06 -0.32 0.00 -0.77 0.00 0.00 57.85 54.71 1vle n ARG 192 Cb 0.14 -1.29 0.01 0.00 -1.02 0.00 0.00 32.46 30.30 1vle n ARG 192 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1vle n LEU 193 N -0.59 -2.25 0.00 0.55 4.77 0.26 -1.92 117.00 117.82 1vle n LEU 193 Ca 0.09 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1vle n LEU 193 Cb 0.47 -2.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.16 1vle n LEU 193 CO 0.04 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1vle n GLY 194 N -1.58 3.39 3.82 -0.72 0.00 -0.29 -2.44 105.19 107.37 1vle n GLY 194 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1vle n GLY 194 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vle s ASN 195 N -0.96 6.86 0.58 1.61 0.01 -0.81 -4.74 114.94 117.49 1vle s ASN 195 Ca 0.00 1.71 -0.08 0.00 -0.71 0.00 0.00 52.86 53.78 1vle s ASN 195 Cb 0.00 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 1vle s ASN 195 CO 0.00 -0.42 0.92 -2.16 -1.51 0.00 0.00 177.10 173.93 1vle s PRO 196 N -3.25 3.23 0.65 -0.60 0.04 -1.26 -4.66 135.00 129.15 1vle s PRO 196 Ca 0.62 0.28 -0.11 0.00 0.04 0.00 0.00 61.00 61.83 1vle s PRO 196 Cb -0.10 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 1vle s PRO 196 CO 0.15 -0.58 1.04 -1.83 0.04 0.00 0.00 177.00 175.82 1vle s GLU 197 N -5.01 3.32 0.00 4.56 -1.05 -1.26 -4.94 118.70 114.32 1vle s GLU 197 Ca 0.53 0.86 0.00 0.00 -0.15 0.00 0.00 54.97 56.20 1vle s GLU 197 Cb -0.11 -2.04 0.00 0.00 -0.44 0.00 0.00 34.13 31.54 1vle s GLU 197 CO 0.48 -0.80 0.61 1.04 0.95 0.00 0.00 175.26 177.54 1vle n GLN 198 N -2.86 0.94 -1.45 -4.83 1.13 -1.26 -4.79 117.38 104.24 1vle n GLN 198 Ca 0.07 -0.78 -0.50 0.00 -1.94 0.00 0.00 57.00 53.84 1vle n GLN 198 Cb 0.54 -0.72 -0.04 0.00 0.11 0.00 0.00 30.24 30.13 1vle n GLN 198 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1vle n TYR 199 N -0.17 0.08 -2.98 1.08 4.02 -1.26 -2.81 117.16 115.11 1vle n TYR 199 Ca 0.00 0.94 -0.14 0.00 -0.01 0.00 0.00 57.90 58.69 1vle n TYR 199 Cb 0.34 -2.04 -0.01 0.00 -0.02 0.00 0.00 39.34 37.60 1vle n TYR 199 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1vle n ASP 200 N 1.83 -2.44 0.17 7.72 10.43 -1.24 -1.43 116.55 131.59 1vle n ASP 200 Ca 0.18 -0.03 0.10 0.00 2.57 0.00 0.00 54.79 57.60 1vle n ASP 200 Cb 0.22 -2.12 0.09 0.00 1.84 0.00 0.00 41.12 41.15 1vle n ASP 200 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1vle h LEU 201 N -0.37 0.00 -0.07 0.64 3.38 -1.33 -3.33 115.31 114.23 1vle h LEU 201 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1vle h LEU 201 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1vle h LEU 201 CO 0.33 0.11 0.03 0.25 0.09 0.00 0.00 178.44 179.25 1vle h LEU 202 N 0.00 0.04 -0.95 1.67 5.85 -1.60 -0.06 115.31 120.26 1vle h LEU 202 Ca -0.01 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1vle h LEU 202 Cb 1.10 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1vle h LEU 202 CO 0.01 0.04 -0.15 -0.08 -0.34 0.00 0.00 178.44 177.92 1vle h GLU 203 N 0.07 0.60 -0.58 1.25 4.81 -1.79 -0.44 114.58 118.50 1vle h GLU 203 Ca 0.03 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1vle h GLU 203 Cb 0.01 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1vle h GLU 203 CO -0.02 0.72 0.20 0.22 -0.73 0.00 0.00 179.01 179.40 1vle h ASP 204 N 0.54 0.83 -0.25 1.04 -0.00 -1.59 -1.71 116.42 115.28 1vle h ASP 204 Ca 0.09 -0.19 -0.08 0.00 -0.00 0.00 0.00 57.03 56.85 1vle h ASP 204 Cb 0.57 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 39.67 1vle h ASP 204 CO 0.04 0.80 -0.16 1.23 -0.00 0.00 0.00 179.24 181.15 1vle h GLY 205 N 0.81 0.60 1.86 -0.78 0.00 -0.69 -0.52 103.07 104.35 1vle h GLY 205 Ca 0.19 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1vle h GLY 205 CO -0.01 0.51 0.04 1.41 0.00 0.00 0.00 176.54 178.49 1vle h LEU 206 N 0.27 0.16 0.08 3.11 3.38 -0.96 0.73 115.31 122.08 1vle h LEU 206 Ca 0.05 -0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.71 1vle h LEU 206 Cb 0.68 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1vle h LEU 206 CO 0.04 0.16 -1.59 0.11 0.09 0.00 0.00 178.44 177.26 1vle h LYS 207 N 0.18 0.16 0.00 1.13 1.57 -1.18 -3.41 116.57 115.03 1vle h LYS 207 Ca 0.05 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1vle h LYS 207 Cb 0.06 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1vle h LYS 207 CO -0.00 0.96 -0.99 0.72 -0.57 0.00 0.00 179.45 179.57 1vle n HIS 208 N -3.34 0.00 -1.67 -1.35 8.25 -0.22 -4.75 115.22 112.15 1vle n HIS 208 Ca -0.17 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.85 1vle n HIS 208 Cb 1.04 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.13 1vle n HIS 208 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vle n ALA 209 N -1.51 0.91 0.00 -1.41 0.00 0.24 -4.69 120.51 114.05 1vle n ALA 209 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1vle n ALA 209 Cb 0.03 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.26 1vle n ALA 209 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vle n GLU 210 N 1.36 3.20 -3.67 0.00 1.02 -0.20 -4.82 120.64 117.54 1vle n GLU 210 Ca 0.09 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.08 1vle n GLU 210 Cb 0.33 -0.92 -0.08 0.00 -0.02 0.00 0.00 31.44 30.75 1vle n GLU 210 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1vle s MET 211 N -1.83 0.76 -0.08 3.49 0.00 -0.77 -1.97 119.30 118.91 1vle s MET 211 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 55.69 55.99 1vle s MET 211 Cb 0.00 0.36 0.02 0.00 0.00 0.00 0.00 34.83 35.20 1vle s MET 211 CO 0.00 -0.18 -0.10 0.42 0.00 0.00 0.00 175.02 175.16 1vle s ILE 212 N -0.67 1.05 -0.42 10.11 1.01 0.02 -1.09 121.20 131.21 1vle s ILE 212 Ca -0.08 -0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 1vle s ILE 212 Cb -0.03 -1.01 0.06 0.00 0.01 0.00 0.00 42.46 41.48 1vle s ILE 212 CO 0.05 0.35 0.28 -0.69 0.00 0.00 0.00 174.94 174.93 1vle s VAL 213 N 1.11 4.70 -0.67 2.92 1.01 -0.52 -1.94 120.40 127.01 1vle s VAL 213 Ca -0.06 -1.07 -0.23 0.00 0.00 0.00 0.00 61.98 60.61 1vle s VAL 213 Cb -0.14 -3.75 0.06 0.00 0.00 0.00 0.00 36.38 32.54 1vle s VAL 213 CO -0.02 -0.42 1.03 -0.36 0.00 0.00 0.00 175.10 175.33 1vle s PHE 214 N 1.55 2.60 -0.31 5.22 0.08 0.88 -0.06 117.98 127.93 1vle s PHE 214 Ca 0.03 -0.43 -0.10 0.00 0.12 0.00 0.00 56.93 56.55 1vle s PHE 214 Cb -0.22 -4.35 -0.01 0.00 -0.57 0.00 0.00 43.02 37.87 1vle s PHE 214 CO 0.05 -1.72 0.16 -0.46 -0.10 0.00 0.00 175.22 173.15 1vle s TRP 215 N 4.39 3.18 -1.50 0.36 -0.11 -0.42 -0.98 118.94 123.87 1vle s TRP 215 Ca 0.25 -0.51 -0.12 0.00 1.22 0.00 0.00 56.10 56.93 1vle s TRP 215 Cb -0.15 -2.37 0.07 0.00 -1.50 0.00 0.00 33.47 29.52 1vle s TRP 215 CO 0.11 -0.44 0.94 0.45 -4.62 0.00 0.00 176.95 173.40 1vle n SER 216 N 5.00 -5.01 -3.94 5.86 2.88 -0.48 -1.02 113.62 116.92 1vle n SER 216 Ca -0.14 -0.69 -0.26 0.00 -1.33 0.00 0.00 58.87 56.46 1vle n SER 216 Cb 0.49 -4.00 -0.17 0.00 -0.75 0.00 0.00 64.21 59.79 1vle n SER 216 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1vle s SER 217 N -3.21 2.04 -0.53 -3.46 0.15 -1.26 -3.44 113.70 103.99 1vle s SER 217 Ca 0.62 -0.30 0.05 0.00 0.70 0.00 0.00 55.95 57.02 1vle s SER 217 Cb -0.30 -0.83 0.19 0.00 -1.71 0.00 0.00 66.02 63.36 1vle s SER 217 CO 0.76 -0.07 0.46 -0.67 1.20 0.00 0.00 173.24 174.92 1vle n ASP 218 N 4.61 1.23 -0.23 5.45 -0.08 -1.26 -4.88 116.55 121.38 1vle n ASP 218 Ca -0.16 -2.81 0.03 0.00 -1.51 0.00 0.00 54.79 50.34 1vle n ASP 218 Cb 0.50 -0.64 0.15 0.00 2.34 0.00 0.00 41.12 43.47 1vle n ASP 218 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1vle h PRO 219 N 5.15 0.25 -0.45 -0.67 0.11 -1.90 -1.85 132.00 132.64 1vle h PRO 219 Ca 0.19 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.31 1vle h PRO 219 Cb 0.83 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.85 1vle h PRO 219 CO 0.55 0.16 0.27 0.93 -0.21 0.00 0.00 178.00 179.70 1vle h GLU 220 N 0.26 0.52 0.33 1.05 4.39 -1.94 0.97 114.58 120.15 1vle h GLU 220 Ca 0.37 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.03 1vle h GLU 220 Cb 0.60 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1vle h GLU 220 CO -0.47 0.34 -0.16 1.15 -1.16 0.00 0.00 179.01 178.71 1vle h THR 221 N 0.53 0.54 0.05 1.13 2.02 -1.83 -3.37 112.91 111.99 1vle h THR 221 Ca 0.18 -0.72 -0.24 0.00 0.77 0.00 0.00 66.41 66.39 1vle h THR 221 Cb 0.01 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1vle h THR 221 CO -0.08 0.11 -1.16 0.78 0.37 0.00 0.00 175.52 175.55 1vle h ASN 222 N -0.91 0.16 -0.34 4.18 2.35 -1.37 -3.48 115.58 116.17 1vle h ASN 222 Ca -0.04 -0.18 -0.15 0.00 -0.55 0.00 0.00 56.30 55.38 1vle h ASN 222 Cb 0.52 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.78 1vle h ASN 222 CO 0.07 1.15 -0.13 -1.54 -1.65 0.00 0.00 177.43 175.33 1vle n SER 223 N -3.40 -5.66 0.00 5.81 3.41 0.34 -2.71 113.62 111.41 1vle n SER 223 Ca -0.05 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1vle n SER 223 Cb 0.98 -3.79 0.00 0.00 -0.26 0.00 0.00 64.21 61.15 1vle n SER 223 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vle n GLY 224 N 0.28 2.16 0.00 5.00 0.00 -1.26 -4.38 105.19 107.00 1vle n GLY 224 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1vle n GLY 224 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1vle n ILE 225 N 0.00 0.00 -1.23 -0.61 3.06 -1.10 -4.68 119.36 114.81 1vle n ILE 225 Ca 0.00 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.17 1vle n ILE 225 Cb 0.00 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.15 1vle n ILE 225 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1vle n TYR 226 N -0.01 0.00 -1.19 9.51 0.53 -1.25 -4.86 117.16 119.89 1vle n TYR 226 Ca 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 57.90 56.86 1vle n TYR 226 Cb 0.00 -2.49 0.24 0.00 -1.03 0.00 0.00 39.34 36.06 1vle n TYR 226 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1vle n ALA 227 N 1.14 4.06 -0.26 -0.72 0.00 -1.26 -3.96 120.51 119.51 1vle n ALA 227 Ca -0.08 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 50.69 1vle n ALA 227 Cb 0.55 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1vle n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vle n GLY 228 N -0.71 2.39 1.70 0.00 0.00 -1.25 -1.49 105.19 105.82 1vle n GLY 228 Ca 0.34 0.37 -0.04 0.00 0.00 0.00 0.00 46.02 46.68 1vle n GLY 228 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vle n PHE 229 N 9.65 1.06 -0.24 1.61 3.01 -1.26 -4.67 117.46 126.62 1vle n PHE 229 Ca 0.00 -1.63 0.13 0.00 1.01 0.00 0.00 57.45 56.96 1vle n PHE 229 Cb 0.00 -0.25 0.41 0.00 -0.01 0.00 0.00 39.48 39.63 1vle n PHE 229 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1vle h GLU 230 N 1.70 0.60 -0.00 -1.08 4.39 -1.58 -2.67 114.58 115.94 1vle h GLU 230 Ca 0.02 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1vle h GLU 230 Cb 1.41 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1vle h GLU 230 CO 0.28 0.40 -0.22 -1.13 -1.16 0.00 0.00 179.01 177.18 1vle n SER 231 N -4.54 0.63 -0.20 1.42 3.41 -1.26 -4.35 113.62 108.73 1vle n SER 231 Ca 0.16 -0.54 -0.00 0.00 -0.26 0.00 0.00 58.87 58.23 1vle n SER 231 Cb 0.48 0.02 0.08 0.00 -0.26 0.00 0.00 64.21 64.53 1vle n SER 231 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1vle h ASN 232 N 0.65 -0.43 0.39 4.04 -0.73 -1.86 -0.25 115.58 117.38 1vle h ASN 232 Ca 0.00 0.17 -0.04 0.00 1.87 0.00 0.00 56.30 58.30 1vle h ASN 232 Cb 0.45 0.32 -0.01 0.00 0.27 0.00 0.00 38.32 39.35 1vle h ASN 232 CO 0.00 -0.16 -0.19 -0.29 -0.37 0.00 0.00 177.43 176.42 1vle h ILE 233 N 0.05 0.80 -0.35 2.57 2.10 -1.81 -2.53 117.51 118.34 1vle h ILE 233 Ca 0.30 -0.75 -0.06 0.00 1.08 0.00 0.00 64.86 65.44 1vle h ILE 233 Cb 0.48 1.45 -0.01 0.00 -1.09 0.00 0.00 36.82 37.65 1vle h ILE 233 CO -0.58 0.19 0.00 0.03 -1.08 0.00 0.00 178.15 176.72 1vle h ARG 234 N 0.00 0.62 0.00 2.19 3.08 -1.31 -0.65 114.38 118.31 1vle h ARG 234 Ca -0.00 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 1vle h ARG 234 Cb 0.43 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1vle h ARG 234 CO 0.02 0.73 -0.19 0.00 -1.07 0.00 0.00 179.97 179.47 1vle h ARG 235 N 0.44 0.00 -0.27 0.04 3.08 -1.33 -1.79 114.38 114.55 1vle h ARG 235 Ca 0.10 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 1vle h ARG 235 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1vle h ARG 235 CO 0.02 0.19 0.01 0.37 -1.07 0.00 0.00 179.97 179.49 1vle h GLN 236 N 0.00 0.46 0.02 0.04 5.75 -0.98 0.52 115.11 120.93 1vle h GLN 236 Ca -0.00 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1vle h GLN 236 Cb 0.74 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.24 1vle h GLN 236 CO 0.02 0.62 -0.02 -1.49 -2.65 0.00 0.00 178.83 175.31 1vle h TRP 237 N 0.25 -0.05 -0.39 3.99 6.55 -0.62 -0.53 115.95 125.15 1vle h TRP 237 Ca 0.08 0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.93 1vle h TRP 237 Cb 0.40 0.02 -0.03 0.00 -0.86 0.00 0.00 29.16 28.69 1vle h TRP 237 CO 0.03 -0.03 0.23 -0.07 -1.05 0.00 0.00 178.44 177.55 1vle h LEU 238 N -0.05 0.37 -0.20 -4.49 3.38 -1.27 -0.97 115.31 112.09 1vle h LEU 238 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1vle h LEU 238 Cb 0.05 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1vle h LEU 238 CO -0.01 0.27 -0.01 0.50 0.09 0.00 0.00 178.44 179.28 1vle h LYS 239 N 0.47 0.04 0.00 1.13 3.64 -0.64 -0.55 116.57 120.66 1vle h LYS 239 Ca 0.16 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1vle h LYS 239 Cb 0.01 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1vle h LYS 239 CO -0.07 0.03 0.00 -0.44 -2.27 0.00 0.00 179.45 176.70 1vle h ASP 240 N 0.05 0.00 0.68 4.20 3.32 -0.79 -0.87 116.42 123.01 1vle h ASP 240 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1vle h ASP 240 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1vle h ASP 240 CO -0.17 0.00 -0.22 0.18 -1.72 0.00 0.00 179.24 177.32 1vle n LEU 241 N -2.47 0.29 0.00 1.55 4.77 -0.29 -4.91 117.00 115.94 1vle n LEU 241 Ca 0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1vle n LEU 241 Cb 0.20 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1vle n LEU 241 CO 0.20 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1vle n GLY 242 N 1.46 0.92 3.73 -0.72 0.00 -0.33 -5.07 105.19 105.17 1vle n GLY 242 Ca 0.08 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1vle n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vle s VAL 243 N -2.00 4.58 0.10 1.61 1.01 -0.74 -4.94 120.40 120.02 1vle s VAL 243 Ca 0.00 2.05 -0.25 0.00 0.00 0.00 0.00 61.98 63.78 1vle s VAL 243 Cb 0.00 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 1vle s VAL 243 CO 0.00 0.29 0.76 -1.81 0.00 0.00 0.00 175.10 174.34 1vle s ASP 244 N 0.19 7.28 -0.28 3.32 1.01 -0.83 -4.56 116.67 122.81 1vle s ASP 244 Ca 0.47 1.52 -0.03 0.00 0.71 0.00 0.00 52.55 55.23 1vle s ASP 244 Cb -0.23 -2.48 0.03 0.00 1.01 0.00 0.00 42.92 41.26 1vle s ASP 244 CO 0.29 0.10 -0.00 -0.36 0.21 0.00 0.00 175.17 175.41 1vle s PHE 245 N -0.54 3.16 -0.17 4.23 2.99 -1.26 -0.80 117.98 125.59 1vle s PHE 245 Ca 0.37 -1.55 -0.02 0.00 0.00 0.00 0.00 56.93 55.73 1vle s PHE 245 Cb -0.22 -2.12 -0.01 0.00 0.00 0.00 0.00 43.02 40.67 1vle s PHE 245 CO 0.24 -0.73 -0.10 0.08 -0.00 0.00 0.00 175.22 174.72 1vle s VAL 246 N 1.34 3.17 -0.16 -0.44 1.01 -0.82 -0.34 120.40 124.17 1vle s VAL 246 Ca -0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1vle s VAL 246 Cb -0.18 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1vle s VAL 246 CO -0.02 0.49 -0.06 -0.36 0.00 0.00 0.00 175.10 175.15 1vle s PHE 247 N 0.81 2.96 -0.28 5.22 0.40 -0.35 -0.09 117.98 126.65 1vle s PHE 247 Ca -0.03 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 55.86 1vle s PHE 247 Cb -0.15 -1.94 0.06 0.00 0.51 0.00 0.00 43.02 41.50 1vle s PHE 247 CO 0.01 -0.14 -0.06 0.42 0.70 0.00 0.00 175.22 176.16 1vle s ILE 248 N 0.48 2.39 -0.28 0.64 1.01 -0.15 -0.09 121.20 125.20 1vle s ILE 248 Ca -0.05 -1.69 -0.17 0.00 0.00 0.00 0.00 60.65 58.74 1vle s ILE 248 Cb -0.15 -2.46 0.09 0.00 0.01 0.00 0.00 42.46 39.95 1vle s ILE 248 CO 0.03 -0.14 0.73 -0.62 0.00 0.00 0.00 174.94 174.94 1vle s ASP 249 N 1.13 -0.88 0.41 3.58 -1.08 -0.20 -1.38 116.67 118.26 1vle s ASP 249 Ca -0.05 1.42 0.17 0.00 -0.52 0.00 0.00 52.55 53.57 1vle s ASP 249 Cb -0.20 1.37 1.08 0.00 -1.46 0.00 0.00 42.92 43.70 1vle s ASP 249 CO -0.05 -0.23 1.85 -0.65 0.52 0.00 0.00 175.17 176.61 1vle h PRO 250 N 6.74 0.40 -5.47 4.34 0.11 -1.77 -3.36 132.00 133.00 1vle h PRO 250 Ca -0.30 -0.02 -0.64 0.00 0.11 0.00 0.00 66.00 65.15 1vle h PRO 250 Cb 1.22 -0.09 -0.14 0.00 0.11 0.00 0.00 31.00 32.10 1vle h PRO 250 CO 0.16 0.27 -0.56 -1.58 -0.21 0.00 0.00 178.00 176.08 1vle s HIS 251 N -5.44 3.30 -1.07 0.65 5.65 -1.26 -4.12 115.29 112.99 1vle s HIS 251 Ca -0.08 0.18 -0.22 0.00 0.25 0.00 0.00 55.06 55.18 1vle s HIS 251 Cb 0.23 -2.00 -0.00 0.00 -1.18 0.00 0.00 32.58 29.62 1vle s HIS 251 CO 0.79 0.32 1.75 1.41 -0.65 0.00 0.00 174.74 178.35 1vle s MET 252 N -0.10 3.13 1.40 2.88 1.75 -0.83 -4.93 119.30 122.60 1vle s MET 252 Ca 0.07 -1.05 -0.21 0.00 -1.25 0.00 0.00 55.69 53.25 1vle s MET 252 Cb -0.12 -5.28 0.36 0.00 2.84 0.00 0.00 34.83 32.63 1vle s MET 252 CO 0.01 -2.93 0.93 0.54 -0.65 0.00 0.00 175.02 172.92 1vle s ASN 253 N 6.06 -0.94 0.49 1.11 2.20 -1.26 -4.52 114.94 118.08 1vle s ASN 253 Ca 0.59 1.01 0.25 0.00 -0.94 0.00 0.00 52.86 53.77 1vle s ASN 253 Cb -0.01 -1.47 1.26 0.00 -2.00 0.00 0.00 41.25 39.02 1vle s ASN 253 CO 0.01 -5.31 2.00 0.45 -2.94 0.00 0.00 177.10 171.31 1vle h HIS 254 N -3.38 0.00 0.20 1.54 3.86 -1.95 0.21 115.15 115.63 1vle h HIS 254 Ca -0.47 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.44 1vle h HIS 254 Cb 1.35 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.85 1vle h HIS 254 CO -2.70 0.17 -1.30 1.15 0.86 0.00 0.00 177.93 176.12 1vle h THR 255 N 0.00 1.32 -0.68 2.45 2.02 -1.91 -2.96 112.91 113.15 1vle h THR 255 Ca -0.00 -2.59 -0.02 0.00 0.77 0.00 0.00 66.41 64.57 1vle h THR 255 Cb 0.45 2.97 -0.03 0.00 -1.74 0.00 0.00 68.15 69.80 1vle h THR 255 CO 0.02 0.77 0.35 0.00 0.37 0.00 0.00 175.52 177.04 1vle h ALA 256 N 0.18 0.88 0.00 6.16 0.00 -1.76 -0.51 119.26 124.21 1vle h ALA 256 Ca -0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1vle h ALA 256 Cb 2.00 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1vle h ALA 256 CO 0.24 0.41 -0.05 0.00 0.00 0.00 0.00 179.25 179.86 1vle h ARG 257 N 0.94 0.00 0.07 0.00 3.08 -0.62 -1.41 114.38 116.44 1vle h ARG 257 Ca 0.24 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.91 1vle h ARG 257 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1vle h ARG 257 CO -0.03 0.05 -2.19 -0.11 -1.07 0.00 0.00 179.97 176.62 1vle n LEU 258 N -3.78 2.67 -0.19 3.04 7.94 -0.72 -4.79 117.00 121.17 1vle n LEU 258 Ca -0.03 0.08 0.01 0.00 -1.11 0.00 0.00 56.01 54.96 1vle n LEU 258 Cb 0.15 -0.97 0.01 0.00 0.53 0.00 0.00 43.42 43.14 1vle n LEU 258 CO 0.29 0.87 0.30 1.33 -1.11 0.00 0.00 177.39 179.07 1vle n VAL 259 N -3.37 0.26 -2.07 1.96 0.24 -0.28 -5.10 118.33 109.97 1vle n VAL 259 Ca -0.37 -0.29 -0.40 0.00 -2.04 0.00 0.00 64.34 61.24 1vle n VAL 259 Cb 1.03 0.66 -0.01 0.00 -1.47 0.00 0.00 33.84 34.05 1vle n VAL 259 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vle s ALA 260 N -0.34 3.39 -0.16 2.33 0.00 -0.53 -4.70 121.76 121.75 1vle s ALA 260 Ca 0.03 1.26 0.19 0.00 0.00 0.00 0.00 51.96 53.44 1vle s ALA 260 Cb 0.02 -3.49 -0.27 0.00 0.00 0.00 0.00 23.12 19.39 1vle s ALA 260 CO 0.00 -0.75 0.18 -0.25 0.00 0.00 0.00 175.76 174.94 1vle n ASP 261 N 0.46 0.03 -3.60 0.00 10.43 0.54 -4.97 116.55 119.43 1vle n ASP 261 Ca 0.02 0.01 -0.14 0.00 2.57 0.00 0.00 54.79 57.25 1vle n ASP 261 Cb 0.42 1.18 -0.07 0.00 1.84 0.00 0.00 41.12 44.50 1vle n ASP 261 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1vle s LYS 262 N -2.72 0.86 -0.07 -1.24 2.47 -1.20 -5.04 119.74 112.81 1vle s LYS 262 Ca -0.09 0.73 0.02 0.00 -1.56 0.00 0.00 55.97 55.06 1vle s LYS 262 Cb 0.08 0.41 0.01 0.00 -1.46 0.00 0.00 37.83 36.87 1vle s LYS 262 CO 0.85 -0.16 -0.12 -0.46 0.16 0.00 0.00 175.35 175.61 1vle s TRP 263 N -0.12 1.48 -0.11 4.03 -0.00 -1.26 -1.21 118.94 121.75 1vle s TRP 263 Ca -0.03 -0.56 -0.03 0.00 -0.00 0.00 0.00 56.10 55.49 1vle s TRP 263 Cb -0.03 -1.09 -0.03 0.00 -0.00 0.00 0.00 33.47 32.31 1vle s TRP 263 CO 0.03 -0.29 -0.01 -0.06 -0.00 0.00 0.00 176.95 176.62 1vle s PHE 264 N 0.72 3.12 -0.69 5.86 0.40 0.87 -4.99 117.98 123.27 1vle s PHE 264 Ca -0.14 0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.28 1vle s PHE 264 Cb -0.16 -1.86 0.17 0.00 0.51 0.00 0.00 43.02 41.68 1vle s PHE 264 CO 0.03 0.29 0.47 0.45 0.70 0.00 0.00 175.22 177.16 1vle s SER 265 N -0.40 4.75 0.45 1.36 0.15 -1.26 -1.03 113.70 117.72 1vle s SER 265 Ca 0.07 -3.78 -0.22 0.00 0.70 0.00 0.00 55.95 52.71 1vle s SER 265 Cb -0.12 -1.62 -0.08 0.00 -1.71 0.00 0.00 66.02 62.49 1vle s SER 265 CO 0.02 -0.10 1.10 -2.16 1.20 0.00 0.00 173.24 173.31 1vle s PRO 266 N -1.35 3.86 0.77 5.44 0.04 -1.26 -4.70 135.00 137.79 1vle s PRO 266 Ca 0.24 1.60 -0.14 0.00 0.04 0.00 0.00 61.00 62.75 1vle s PRO 266 Cb -0.06 -2.36 0.06 0.00 0.04 0.00 0.00 34.50 32.18 1vle s PRO 266 CO -0.15 -0.43 1.19 0.15 0.04 0.00 0.00 177.00 177.80 1vle s LYS 267 N -2.78 1.93 0.58 4.56 1.02 -0.59 -4.17 119.74 120.29 1vle s LYS 267 Ca 0.63 1.67 -0.20 0.00 0.02 0.00 0.00 55.97 58.10 1vle s LYS 267 Cb -0.24 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 1vle s LYS 267 CO 0.29 -1.98 1.19 0.44 -0.92 0.00 0.00 175.35 174.37 1vle n ILE 268 N -3.08 3.99 -1.50 2.17 -5.35 -1.26 -2.66 119.36 111.67 1vle n ILE 268 Ca 0.13 -0.50 -0.17 0.00 -0.27 0.00 0.00 62.75 61.94 1vle n ILE 268 Cb 0.51 -1.42 -0.07 0.00 -1.74 0.00 0.00 39.64 36.92 1vle n ILE 268 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vle n GLY 269 N 1.00 1.69 0.00 3.28 0.00 -1.26 -4.65 105.19 105.25 1vle n GLY 269 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vle n GLY 269 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vle n THR 270 N -2.45 0.43 -0.27 2.61 -2.24 -1.09 -4.30 114.28 106.98 1vle n THR 270 Ca -0.17 -0.70 0.07 0.00 -2.27 0.00 0.00 64.05 60.98 1vle n THR 270 Cb 0.59 0.80 0.21 0.00 -2.10 0.00 0.00 70.33 69.84 1vle n THR 270 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1vle h ASP 271 N 0.00 0.23 0.33 3.42 5.19 -1.89 -0.76 116.42 122.94 1vle h ASP 271 Ca 0.00 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1vle h ASP 271 Cb 0.24 0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1vle h ASP 271 CO 0.00 0.05 0.00 1.12 -3.12 0.00 0.00 179.24 177.29 1vle h HIS 272 N 0.40 0.00 -0.43 4.55 2.07 -1.88 -0.89 115.15 118.96 1vle h HIS 272 Ca 0.45 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.83 1vle h HIS 272 Cb 0.74 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.71 1vle h HIS 272 CO -0.18 0.00 -0.26 0.00 -3.07 0.00 0.00 177.93 174.41 1vle h ALA 273 N 2.05 0.71 -0.28 6.11 0.00 -1.49 -1.39 119.26 124.97 1vle h ALA 273 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1vle h ALA 273 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1vle h ALA 273 CO 0.00 0.67 -0.12 -0.07 0.00 0.00 0.00 179.25 179.73 1vle h LEU 274 N 0.79 0.59 -1.18 0.00 3.38 -1.24 -1.98 115.31 115.67 1vle h LEU 274 Ca 0.09 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1vle h LEU 274 Cb 0.83 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1vle h LEU 274 CO 0.07 0.85 0.04 0.77 0.09 0.00 0.00 178.44 180.26 1vle h SER 275 N 0.31 0.57 -0.15 -0.43 4.64 -1.40 0.94 113.55 118.03 1vle h SER 275 Ca 0.06 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.13 1vle h SER 275 Cb 0.63 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1vle h SER 275 CO 0.04 0.61 -0.42 -0.26 -0.87 0.00 0.00 176.83 175.93 1vle h PHE 276 N 0.58 0.84 -0.03 4.77 -1.00 -1.16 -1.05 116.94 119.89 1vle h PHE 276 Ca 0.13 -0.25 -0.13 0.00 2.81 0.00 0.00 57.97 60.52 1vle h PHE 276 Cb 0.31 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 1vle h PHE 276 CO 0.01 1.00 -0.58 0.00 -1.61 0.00 0.00 178.31 177.13 1vle h ALA 277 N 0.97 0.98 -0.18 2.45 0.00 -0.86 0.25 119.26 122.86 1vle h ALA 277 Ca 0.04 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1vle h ALA 277 Cb 0.96 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1vle h ALA 277 CO 0.09 0.72 -0.16 0.82 0.00 0.00 0.00 179.25 180.72 1vle h ILE 278 N 0.07 1.33 -0.22 0.00 2.04 -0.63 -1.02 117.51 119.08 1vle h ILE 278 Ca -0.00 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 1vle h ILE 278 Cb 1.05 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 1vle h ILE 278 CO 0.08 0.39 0.09 0.00 0.00 0.00 0.00 178.15 178.71 1vle h ALA 279 N 0.64 0.28 -0.63 1.87 0.00 -1.01 -1.70 119.26 118.72 1vle h ALA 279 Ca 0.03 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.96 1vle h ALA 279 Cb 0.69 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.28 1vle h ALA 279 CO 0.04 -0.13 -0.04 -0.92 0.00 0.00 0.00 179.25 178.20 1vle h TYR 280 N 0.20 -0.12 -0.39 0.00 3.20 -0.41 0.20 116.97 119.65 1vle h TYR 280 Ca 0.07 0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.01 1vle h TYR 280 Cb 0.17 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 1vle h TYR 280 CO -0.01 -0.20 0.23 1.15 -1.64 0.00 0.00 178.16 177.69 1vle h THR 281 N 0.08 1.04 -0.79 1.81 2.02 -0.79 -0.90 112.91 115.38 1vle h THR 281 Ca 0.32 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1vle h THR 281 Cb 0.52 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1vle h THR 281 CO -0.57 0.09 0.44 -0.50 0.37 0.00 0.00 175.52 175.35 1vle h TRP 282 N 0.47 1.08 -0.48 3.16 6.55 -0.08 -1.48 115.95 125.17 1vle h TRP 282 Ca 0.16 -0.02 -0.07 0.00 0.95 0.00 0.00 58.89 59.91 1vle h TRP 282 Cb 0.00 -0.35 -0.02 0.00 -0.86 0.00 0.00 29.16 27.94 1vle h TRP 282 CO -0.07 0.75 0.04 -0.07 -1.05 0.00 0.00 178.44 178.04 1vle h LEU 283 N 1.09 0.80 -1.10 -4.49 3.38 -0.35 0.16 115.31 114.80 1vle h LEU 283 Ca 0.28 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1vle h LEU 283 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1vle h LEU 283 CO -0.05 0.88 -0.23 0.11 0.09 0.00 0.00 178.44 179.25 1vle h LYS 284 N 0.68 0.36 -0.55 1.13 1.79 -0.93 -3.10 116.57 115.94 1vle h LYS 284 Ca 0.14 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1vle h LYS 284 Cb 0.45 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1vle h LYS 284 CO 0.02 0.57 0.00 0.39 -1.08 0.00 0.00 179.45 179.35 1vle n GLU 285 N -4.16 2.84 -3.19 3.15 1.02 -0.58 -4.96 120.64 114.77 1vle n GLU 285 Ca -0.01 -2.40 -0.20 0.00 -0.02 0.00 0.00 57.16 54.53 1vle n GLU 285 Cb 0.37 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 1vle n GLU 285 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1vle n ASP 286 N 1.08 -3.53 -3.33 1.62 9.92 0.37 -4.86 116.55 117.82 1vle n ASP 286 Ca 0.19 -0.26 -0.40 0.00 -0.53 0.00 0.00 54.79 53.79 1vle n ASP 286 Cb 0.55 -2.95 0.02 0.00 -0.64 0.00 0.00 41.12 38.10 1vle n ASP 286 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1vle n SER 287 N -2.16 7.43 -3.98 -2.24 3.41 -0.11 -4.94 113.62 111.02 1vle n SER 287 Ca -0.03 -3.69 -0.11 0.00 -0.26 0.00 0.00 58.87 54.78 1vle n SER 287 Cb 0.55 -1.15 -0.07 0.00 -0.26 0.00 0.00 64.21 63.28 1vle n SER 287 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1vle s TYR 288 N -3.94 0.68 -0.91 7.33 1.13 -1.26 -4.73 117.35 115.65 1vle s TYR 288 Ca 0.45 -0.98 -0.24 0.00 -1.41 0.00 0.00 57.07 54.89 1vle s TYR 288 Cb 0.29 -0.07 0.03 0.00 -1.10 0.00 0.00 41.96 41.11 1vle s TYR 288 CO -0.23 -0.90 1.48 0.34 -2.51 0.00 0.00 175.55 173.72 1vle s ASP 289 N -3.08 6.19 0.22 -0.18 -1.08 0.51 -4.84 116.67 114.40 1vle s ASP 289 Ca 0.28 -0.99 -0.03 0.00 -0.52 0.00 0.00 52.55 51.29 1vle s ASP 289 Cb 0.02 -2.56 0.20 0.00 -1.46 0.00 0.00 42.92 39.11 1vle s ASP 289 CO 0.11 -1.78 1.61 0.11 0.52 0.00 0.00 175.17 175.75 1vle h LYS 290 N 10.30 0.70 -0.30 4.34 1.57 -1.94 -2.27 116.57 128.96 1vle h LYS 290 Ca 0.03 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 1vle h LYS 290 Cb 1.03 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1vle h LYS 290 CO 1.35 0.91 0.10 0.93 -0.57 0.00 0.00 179.45 182.16 1vle h GLU 291 N 0.60 0.46 0.11 3.15 3.07 -1.98 -0.08 114.58 119.90 1vle h GLU 291 Ca 0.07 -0.10 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1vle h GLU 291 Cb 0.80 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 1vle h GLU 291 CO 0.07 0.50 -0.13 -0.92 -1.40 0.00 0.00 179.01 177.13 1vle h TYR 292 N 0.32 -0.33 -0.51 4.33 3.20 -1.94 -1.06 116.97 120.99 1vle h TYR 292 Ca 0.10 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1vle h TYR 292 Cb 0.23 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1vle h TYR 292 CO 0.00 -0.19 0.33 0.28 -1.64 0.00 0.00 178.16 176.94 1vle h VAL 293 N -0.27 1.12 -0.47 1.81 2.07 -1.31 0.87 116.25 120.06 1vle h VAL 293 Ca 0.01 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1vle h VAL 293 Cb 0.27 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1vle h VAL 293 CO -0.05 0.12 0.28 0.00 0.02 0.00 0.00 177.57 177.95 1vle h ALA 294 N 1.19 1.62 0.14 1.67 0.00 -0.79 -0.16 119.26 122.94 1vle h ALA 294 Ca 0.19 -0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.71 1vle h ALA 294 Cb -0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1vle h ALA 294 CO -0.05 0.34 -1.68 0.00 0.00 0.00 0.00 179.25 177.86 1vle h ALA 295 N 1.67 0.26 -0.23 0.00 0.00 -0.40 -3.41 119.26 117.16 1vle h ALA 295 Ca 0.17 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1vle h ALA 295 Cb -0.03 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1vle h ALA 295 CO -0.03 1.13 0.00 0.09 0.00 0.00 0.00 179.25 180.44 1vle n ASN 296 N -3.49 2.55 -4.49 0.00 3.02 0.29 -4.99 115.26 108.14 1vle n ASN 296 Ca -0.21 -1.90 -0.29 0.00 -0.03 0.00 0.00 54.58 52.14 1vle n ASN 296 Cb 1.06 -0.15 -0.11 0.00 -0.61 0.00 0.00 39.78 39.97 1vle n ASN 296 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vle s ALA 297 N -0.96 2.70 -0.04 5.41 0.00 -0.08 -0.32 121.76 128.47 1vle s ALA 297 Ca 0.16 -1.38 0.05 0.00 0.00 0.00 0.00 51.96 50.79 1vle s ALA 297 Cb 0.09 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1vle s ALA 297 CO 0.12 0.57 -0.18 -1.58 0.00 0.00 0.00 175.76 174.69 1vle s HIS 298 N -1.22 1.72 -0.93 0.00 2.46 0.50 -4.70 115.29 113.11 1vle s HIS 298 Ca 0.19 -0.45 0.00 0.00 0.47 0.00 0.00 55.06 55.27 1vle s HIS 298 Cb -0.10 -1.14 0.00 0.00 -0.13 0.00 0.00 32.58 31.20 1vle s HIS 298 CO 0.11 -0.13 0.00 0.41 -2.47 0.00 0.00 174.74 172.66 1vle n GLY 299 N 2.99 1.02 0.26 1.59 0.00 -1.26 -1.92 105.19 107.87 1vle n GLY 299 Ca -0.17 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 1vle n GLY 299 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1vle h PHE 300 N 0.00 0.76 0.21 1.61 3.57 -1.92 -2.52 116.94 118.65 1vle h PHE 300 Ca -0.18 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 61.15 1vle h PHE 300 Cb 0.71 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1vle h PHE 300 CO 0.33 0.83 -0.14 0.93 -2.23 0.00 0.00 178.31 178.04 1vle h GLU 301 N 0.60 -0.33 -0.62 1.11 3.07 -1.96 0.19 114.58 116.64 1vle h GLU 301 Ca 0.09 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.99 1vle h GLU 301 Cb 0.68 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 1vle h GLU 301 CO 0.05 -0.22 0.41 0.93 -1.40 0.00 0.00 179.01 178.78 1vle h GLU 302 N -0.34 0.77 -0.43 2.33 3.07 -1.96 -2.21 114.58 115.80 1vle h GLU 302 Ca -0.02 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 58.66 1vle h GLU 302 Cb 0.29 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1vle h GLU 302 CO 0.01 0.51 -0.28 2.35 -1.40 0.00 0.00 179.01 180.20 1vle h TRP 303 N 0.79 1.11 -0.79 4.33 7.01 -0.94 -2.44 115.95 125.03 1vle h TRP 303 Ca 0.24 -0.30 -0.02 0.00 2.11 0.00 0.00 58.89 60.92 1vle h TRP 303 Cb -0.02 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.76 1vle h TRP 303 CO -0.00 1.11 0.42 0.00 -2.79 0.00 0.00 178.44 177.19 1vle h ALA 304 N 0.82 1.26 -0.84 2.65 0.00 -0.13 -0.47 119.26 122.56 1vle h ALA 304 Ca 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1vle h ALA 304 Cb 0.86 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1vle h ALA 304 CO 0.08 0.59 0.51 -0.44 0.00 0.00 0.00 179.25 179.99 1vle h ASP 305 N 1.10 1.00 -0.07 0.00 5.19 -1.20 0.18 116.42 122.63 1vle h ASP 305 Ca 0.28 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1vle h ASP 305 Cb 0.04 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.29 1vle h ASP 305 CO -0.04 0.77 0.02 0.22 -3.12 0.00 0.00 179.24 177.09 1vle h TYR 306 N 1.15 0.10 -0.76 4.55 3.20 -0.82 -2.27 116.97 122.12 1vle h TYR 306 Ca 0.30 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.19 1vle h TYR 306 Cb -0.05 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 1vle h TYR 306 CO -0.00 0.25 0.50 0.28 -1.64 0.00 0.00 178.16 177.55 1vle h VAL 307 N -0.07 1.13 0.00 1.81 2.07 -0.76 -1.83 116.25 118.60 1vle h VAL 307 Ca 0.02 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1vle h VAL 307 Cb 0.19 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1vle h VAL 307 CO -0.00 0.17 0.00 0.18 0.02 0.00 0.00 177.57 177.94 1vle n LEU 308 N -4.45 0.06 0.00 2.57 4.77 0.02 -2.04 117.00 117.93 1vle n LEU 308 Ca 0.09 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1vle n LEU 308 Cb 0.10 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1vle n LEU 308 CO 0.35 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1vle n GLY 309 N 0.65 0.52 0.33 -0.72 0.00 -0.69 -4.29 105.19 100.98 1vle n GLY 309 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1vle n GLY 309 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vle h LYS 310 N 4.09 0.72 0.06 1.61 1.57 -1.64 0.26 116.57 123.25 1vle h LYS 310 Ca 0.00 -0.04 -0.30 0.00 -1.87 0.00 0.00 60.65 58.43 1vle h LYS 310 Cb 0.00 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1vle h LYS 310 CO 0.00 0.48 -1.64 1.79 -0.57 0.00 0.00 179.45 179.51 1vle h THR 311 N 0.74 0.98 -0.12 -0.16 1.35 -1.84 -3.39 112.91 110.48 1vle h THR 311 Ca 0.21 -2.73 0.00 0.00 -0.55 0.00 0.00 66.41 63.34 1vle h THR 311 Cb -0.06 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1vle h THR 311 CO -0.05 0.71 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 1vle n ASP 312 N -3.28 2.38 -0.61 5.36 3.85 -1.21 -4.98 116.55 118.06 1vle n ASP 312 Ca -0.18 -2.10 -0.08 0.00 -0.71 0.00 0.00 54.79 51.73 1vle n ASP 312 Cb 1.04 -0.12 -0.03 0.00 -1.35 0.00 0.00 41.12 40.66 1vle n ASP 312 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vle n GLY 313 N -0.22 0.84 2.77 6.12 0.00 0.92 -4.95 105.19 110.67 1vle n GLY 313 Ca 0.05 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1vle n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vle s THR 314 N -1.87 1.58 0.23 2.61 2.01 -1.19 -5.01 115.64 114.00 1vle s THR 314 Ca 0.00 -2.52 -0.32 0.00 0.31 0.00 0.00 61.69 59.16 1vle s THR 314 Cb 0.00 -2.12 -0.13 0.00 0.01 0.00 0.00 72.50 70.27 1vle s THR 314 CO 0.00 -0.83 1.59 -2.65 -0.69 0.00 0.00 174.62 172.03 1vle n PRO 315 N 3.68 2.46 -1.53 4.92 -0.02 -1.26 -4.21 135.00 139.04 1vle n PRO 315 Ca 0.06 0.88 -0.37 0.00 -2.02 0.00 0.00 63.50 62.06 1vle n PRO 315 Cb 0.35 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.15 1vle n PRO 315 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vle n LYS 316 N 2.91 3.85 -1.02 -0.52 4.76 -0.86 -4.84 118.16 122.44 1vle n LYS 316 Ca 0.13 -2.56 -0.28 0.00 -2.87 0.00 0.00 58.31 52.73 1vle n LYS 316 Cb 0.33 -2.66 0.20 0.00 -1.84 0.00 0.00 35.03 31.06 1vle n LYS 316 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1vle s THR 317 N 0.77 1.99 0.32 -0.18 -4.23 -1.26 -3.55 115.64 109.50 1vle s THR 317 Ca 0.64 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.25 1vle s THR 317 Cb 0.20 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.68 1vle s THR 317 CO -0.07 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.72 1vle h GLU 319 N 0.06 0.91 -0.28 0.00 3.07 -1.92 -0.79 114.58 115.63 1vle h GLU 319 Ca 0.00 -0.41 -0.06 0.00 -0.50 0.00 0.00 59.36 58.39 1vle h GLU 319 Cb 0.86 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 1vle h GLU 319 CO 0.06 1.07 -0.10 2.35 -1.40 0.00 0.00 179.01 180.99 1vle h TRP 320 N 0.74 0.49 -0.15 4.33 7.01 -1.82 -2.02 115.95 124.53 1vle h TRP 320 Ca 0.09 -0.07 -0.17 0.00 2.11 0.00 0.00 58.89 60.85 1vle h TRP 320 Cb 0.81 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.73 1vle h TRP 320 CO 0.06 0.56 -0.62 0.00 -2.79 0.00 0.00 178.44 175.65 1vle h ALA 321 N 1.46 0.64 -0.52 2.65 0.00 -0.97 -2.50 119.26 120.02 1vle h ALA 321 Ca 0.08 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1vle h ALA 321 Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1vle h ALA 321 CO 0.02 0.71 0.10 1.49 0.00 0.00 0.00 179.25 181.57 1vle h GLU 322 N 0.39 0.85 -0.69 0.00 4.81 -0.81 0.27 114.58 119.39 1vle h GLU 322 Ca -0.01 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.03 1vle h GLU 322 Cb 1.18 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1vle h GLU 322 CO 0.11 0.83 0.46 1.49 -0.73 0.00 0.00 179.01 181.17 1vle h GLU 323 N 0.74 0.84 0.07 1.92 4.81 -1.28 0.47 114.58 122.15 1vle h GLU 323 Ca 0.16 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 1vle h GLU 323 Cb 0.38 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.58 1vle h GLU 323 CO 0.01 0.56 -0.45 0.93 -0.73 0.00 0.00 179.01 179.32 1vle h GLU 324 N 0.86 0.19 0.00 1.92 4.39 -0.97 -3.41 114.58 117.56 1vle h GLU 324 Ca 0.27 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1vle h GLU 324 Cb 0.01 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1vle h GLU 324 CO -0.07 1.11 -1.96 -1.13 -1.16 0.00 0.00 179.01 175.81 1vle n SER 325 N -4.34 0.08 0.00 1.42 3.41 0.89 -4.78 113.62 110.30 1vle n SER 325 Ca -0.12 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1vle n SER 325 Cb 0.66 1.73 0.00 0.00 -0.26 0.00 0.00 64.21 66.34 1vle n SER 325 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vle n GLY 326 N 1.31 1.29 3.72 5.00 0.00 0.16 -1.55 105.19 115.13 1vle n GLY 326 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1vle n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vle s VAL 327 N -2.77 4.95 0.11 1.61 1.01 -1.26 -5.00 120.40 119.06 1vle s VAL 327 Ca 0.00 1.54 -0.36 0.00 0.00 0.00 0.00 61.98 63.16 1vle s VAL 327 Cb 0.00 -4.08 -0.16 0.00 0.00 0.00 0.00 36.38 32.14 1vle s VAL 327 CO 0.00 0.28 1.36 -2.65 0.00 0.00 0.00 175.10 174.08 1vle n PRO 328 N 3.52 1.30 -0.19 2.72 -0.02 -1.26 -4.00 135.00 137.07 1vle n PRO 328 Ca -0.01 0.47 -0.02 0.00 -2.02 0.00 0.00 63.50 61.92 1vle n PRO 328 Cb 0.51 -2.11 0.08 0.00 -0.02 0.00 0.00 33.50 31.96 1vle n PRO 328 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vle h ALA 329 N 4.61 0.74 -0.87 3.55 0.00 -1.93 -2.19 119.26 123.18 1vle h ALA 329 Ca -0.47 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.55 1vle h ALA 329 Cb 1.32 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1vle h ALA 329 CO 0.78 -0.11 0.57 0.00 0.00 0.00 0.00 179.25 180.49 1vle h GLU 331 N 0.98 0.12 -0.11 0.00 5.08 -1.79 -0.81 114.58 118.05 1vle h GLU 331 Ca 0.37 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1vle h GLU 331 Cb 0.20 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1vle h GLU 331 CO -0.14 0.75 -0.04 0.82 -1.00 0.00 0.00 179.01 179.41 1vle h ILE 332 N 0.08 1.30 -0.58 3.13 2.04 -0.78 -1.98 117.51 120.73 1vle h ILE 332 Ca -0.01 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.80 1vle h ILE 332 Cb 1.22 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 39.02 1vle h ILE 332 CO 0.10 0.29 0.20 -0.09 0.00 0.00 0.00 178.15 178.65 1vle h ARG 333 N -0.12 0.86 -0.59 2.37 2.43 -1.06 -1.50 114.38 116.77 1vle h ARG 333 Ca 0.03 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1vle h ARG 333 Cb 0.47 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1vle h ARG 333 CO 0.01 0.73 0.09 0.00 -1.51 0.00 0.00 179.97 179.29 1vle h ALA 334 N 1.38 0.78 -0.12 2.80 0.00 -1.06 -1.80 119.26 121.25 1vle h ALA 334 Ca 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1vle h ALA 334 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1vle h ALA 334 CO -0.01 0.54 0.03 1.25 0.00 0.00 0.00 179.25 181.06 1vle h LEU 335 N 0.88 0.18 -0.34 0.00 5.85 -1.02 -1.67 115.31 119.18 1vle h LEU 335 Ca 0.18 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1vle h LEU 335 Cb 0.43 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 1vle h LEU 335 CO 0.01 0.34 -0.15 0.00 -0.34 0.00 0.00 178.44 178.30 1vle h ALA 336 N 0.84 0.12 -0.44 1.25 0.00 -1.11 0.58 119.26 120.49 1vle h ALA 336 Ca 0.04 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1vle h ALA 336 Cb 0.23 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1vle h ALA 336 CO -0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 179.25 178.61 1vle h ARG 337 N -0.10 0.80 -0.38 0.00 3.08 -1.30 -1.71 114.38 114.78 1vle h ARG 337 Ca 0.17 -0.27 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 1vle h ARG 337 Cb 0.36 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1vle h ARG 337 CO -0.40 0.87 -0.37 0.37 -1.07 0.00 0.00 179.97 179.38 1vle h GLN 338 N 0.72 0.89 -0.38 0.04 5.75 -0.53 -2.80 115.11 118.80 1vle h GLN 338 Ca 0.12 -0.45 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 1vle h GLN 338 Cb 0.59 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 1vle h GLN 338 CO 0.04 1.10 0.25 2.35 -2.65 0.00 0.00 178.83 179.92 1vle h TRP 339 N 0.73 0.48 -0.64 3.99 2.91 0.35 -2.41 115.95 121.37 1vle h TRP 339 Ca 0.07 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.08 1vle h TRP 339 Cb 0.94 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 29.40 1vle h TRP 339 CO 0.06 0.31 0.33 0.00 -1.03 0.00 0.00 178.44 178.10 1vle h ALA 340 N 1.14 0.82 -0.00 2.65 0.00 -1.20 -3.19 119.26 119.47 1vle h ALA 340 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1vle h ALA 340 Cb -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1vle h ALA 340 CO -0.03 0.36 -0.33 0.36 0.00 0.00 0.00 179.25 179.61 1vle n LYS 341 N -4.51 0.46 -4.27 0.00 2.85 -1.07 -4.91 118.16 106.70 1vle n LYS 341 Ca 0.05 -0.25 -0.26 0.00 -1.05 0.00 0.00 58.31 56.80 1vle n LYS 341 Cb 0.11 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 32.91 1vle n LYS 341 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1vle s LYS 342 N -2.72 2.23 -0.59 -1.58 -0.14 -0.92 -5.03 119.74 110.99 1vle s LYS 342 Ca 0.19 -1.27 -0.27 0.00 -1.36 0.00 0.00 55.97 53.26 1vle s LYS 342 Cb 0.19 -2.21 -0.01 0.00 -1.68 0.00 0.00 37.83 34.11 1vle s LYS 342 CO 0.59 0.42 1.77 -0.80 -0.76 0.00 0.00 175.35 176.57 1vle s ASN 343 N -3.11 5.46 -0.12 2.83 0.01 -1.26 -4.87 114.94 113.89 1vle s ASN 343 Ca 0.28 0.35 0.01 0.00 -0.71 0.00 0.00 52.86 52.78 1vle s ASN 343 Cb -0.08 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 1vle s ASN 343 CO 0.18 -2.22 -0.15 -0.89 -1.51 0.00 0.00 177.10 172.51 1vle s THR 344 N 8.38 2.93 -0.16 1.60 2.01 -1.02 -1.03 115.64 128.34 1vle s THR 344 Ca 0.64 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.87 1vle s THR 344 Cb -0.13 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1vle s THR 344 CO 0.22 0.54 0.04 -0.31 -0.69 0.00 0.00 174.62 174.41 1vle s TYR 345 N 0.24 3.21 -0.40 4.92 1.51 -0.25 -3.89 117.35 122.69 1vle s TYR 345 Ca -0.10 0.03 -0.21 0.00 -1.01 0.00 0.00 57.07 55.77 1vle s TYR 345 Cb -0.16 -2.02 0.01 0.00 -0.11 0.00 0.00 41.96 39.69 1vle s TYR 345 CO 0.06 0.17 0.69 -1.17 -1.11 0.00 0.00 175.55 174.19 1vle s LEU 346 N 0.18 4.30 -1.15 -1.29 2.96 -0.35 -1.44 118.68 121.89 1vle s LEU 346 Ca 0.03 -0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.84 1vle s LEU 346 Cb -0.13 -2.84 0.25 0.00 0.50 0.00 0.00 46.19 43.97 1vle s LEU 346 CO 0.01 -0.73 1.39 0.00 -1.32 0.00 0.00 176.35 175.70 1vle n ALA 347 N 6.31 4.59 -2.66 5.97 0.00 0.92 -1.00 120.51 134.62 1vle n ALA 347 Ca 0.00 -4.57 -0.43 0.00 0.00 0.00 0.00 53.44 48.44 1vle n ALA 347 Cb 0.48 -2.63 -0.02 0.00 0.00 0.00 0.00 19.45 17.29 1vle n ALA 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vle s ALA 348 N -0.89 3.66 0.19 0.00 0.00 -1.26 -1.30 121.76 122.16 1vle s ALA 348 Ca 0.35 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1vle s ALA 348 Cb -0.02 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1vle s ALA 348 CO 0.00 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.17 1vle n GLY 349 N 3.31 -2.46 0.21 0.00 0.00 -0.19 -0.56 105.19 105.50 1vle n GLY 349 Ca 0.11 -1.34 0.10 0.00 0.00 0.00 0.00 46.02 44.89 1vle n GLY 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vle h GLY 350 N -0.48 0.00 0.35 -0.02 0.00 -1.71 -3.33 103.07 97.88 1vle h GLY 350 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 1vle h GLY 350 CO 0.02 0.00 -1.76 -0.10 0.00 0.00 0.00 176.54 174.70 1vle n LEU 351 N -3.17 0.30 0.00 3.11 7.94 -1.26 -3.98 117.00 119.94 1vle n LEU 351 Ca 0.02 0.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1vle n LEU 351 Cb 0.53 0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.55 1vle n LEU 351 CO 0.35 0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.28 1vle n GLY 352 N 1.33 0.59 0.00 -3.96 0.00 -1.23 -4.60 105.19 97.32 1vle n GLY 352 Ca -0.08 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1vle n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vle n GLY 353 N 0.00 -1.74 7.00 -0.02 0.00 0.28 -4.33 105.19 106.38 1vle n GLY 353 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1vle n GLY 353 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1vle n TRP 354 N -0.35 -0.22 0.00 1.61 8.01 -1.26 -3.96 117.44 121.26 1vle n TRP 354 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1vle n TRP 354 Cb 0.00 0.08 0.00 0.00 -2.01 0.00 0.00 31.31 29.38 1vle n TRP 354 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1vle n GLY 355 N 0.00 2.28 0.46 6.99 0.00 -1.26 -4.14 105.19 109.53 1vle n GLY 355 Ca 0.00 -1.42 0.28 0.00 0.00 0.00 0.00 46.02 44.88 1vle n GLY 355 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vle h GLY 356 N 0.00 0.00 2.00 -0.02 0.00 -1.95 -0.19 103.07 102.91 1vle h GLY 356 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1vle h GLY 356 CO 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.48 1vle h ALA 357 N 1.46 1.87 0.00 3.60 0.00 -1.87 -2.34 119.26 121.98 1vle h ALA 357 Ca 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1vle h ALA 357 Cb 1.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1vle h ALA 357 CO -0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1vle n ARG 359 N -3.09 2.68 -3.88 0.00 1.85 -0.88 -0.28 116.66 113.07 1vle n ARG 359 Ca 0.02 -4.56 -0.08 0.00 -1.00 0.00 0.00 57.85 52.23 1vle n ARG 359 Cb 0.38 -2.35 -0.02 0.00 -1.05 0.00 0.00 32.46 29.43 1vle n ARG 359 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1vle s ALA 360 N -1.97 -0.98 0.56 2.89 0.00 -1.24 -1.45 121.76 119.58 1vle s ALA 360 Ca 0.32 -0.47 0.41 0.00 0.00 0.00 0.00 51.96 52.22 1vle s ALA 360 Cb 0.03 0.86 2.25 0.00 0.00 0.00 0.00 23.12 26.26 1vle s ALA 360 CO -0.07 -1.00 2.27 0.66 0.00 0.00 0.00 175.76 177.62 1vle h SER 361 N 2.04 0.00 -0.34 0.00 4.64 -1.85 -0.14 113.55 117.90 1vle h SER 361 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1vle h SER 361 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1vle h SER 361 CO 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.23 1vle n HIS 362 N -2.97 0.45 -0.30 4.77 1.44 -1.26 -4.55 115.22 112.80 1vle n HIS 362 Ca -0.03 -0.42 0.14 0.00 -2.01 0.00 0.00 57.72 55.40 1vle n HIS 362 Cb 0.08 -0.02 0.30 0.00 0.12 0.00 0.00 29.99 30.47 1vle n HIS 362 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 1vle h GLY 363 N 2.37 1.37 0.97 -1.39 0.00 -1.07 -1.23 103.07 104.09 1vle h GLY 363 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1vle h GLY 363 CO 0.00 -0.40 -0.14 -2.22 0.00 0.00 0.00 176.54 173.78 1vle h ILE 364 N 0.17 0.73 0.00 2.60 2.04 -1.80 -2.21 117.51 119.05 1vle h ILE 364 Ca 0.57 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 66.30 1vle h ILE 364 Cb 1.17 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1vle h ILE 364 CO -0.69 0.02 -0.27 -0.33 0.00 0.00 0.00 178.15 176.87 1vle h GLU 365 N -0.42 0.00 0.07 2.37 4.39 -1.73 -1.88 114.58 117.38 1vle h GLU 365 Ca -0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1vle h GLU 365 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1vle h GLU 365 CO 0.06 0.27 -0.03 2.35 -1.16 0.00 0.00 179.01 180.51 1vle h TRP 366 N 0.00 -0.09 -0.41 4.33 7.01 -1.07 0.17 115.95 125.90 1vle h TRP 366 Ca -0.00 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.02 1vle h TRP 366 Cb 0.51 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.56 1vle h TRP 366 CO 0.00 0.25 0.22 0.00 -2.79 0.00 0.00 178.44 176.12 1vle h ALA 367 N 0.47 0.52 -0.31 2.65 0.00 -1.24 0.15 119.26 121.50 1vle h ALA 367 Ca -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1vle h ALA 367 Cb 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1vle h ALA 367 CO 0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 179.25 179.08 1vle h ARG 368 N 0.44 0.49 -0.50 0.00 3.08 -1.31 -1.08 114.38 115.49 1vle h ARG 368 Ca 0.17 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1vle h ARG 368 Cb 0.06 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1vle h ARG 368 CO -0.11 0.56 -0.04 0.78 -1.07 0.00 0.00 179.97 180.09 1vle h GLY 369 N 0.85 0.98 1.07 0.04 0.00 0.34 0.29 103.07 106.64 1vle h GLY 369 Ca 0.10 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 1vle h GLY 369 CO 0.02 0.69 0.45 -0.33 0.00 0.00 0.00 176.54 177.37 1vle h MET 370 N 0.77 1.21 -0.33 4.80 2.86 -0.16 -0.81 114.93 123.26 1vle h MET 370 Ca 0.14 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 1vle h MET 370 Cb 0.57 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1vle h MET 370 CO 0.03 0.90 -0.18 0.82 1.06 0.00 0.00 176.91 179.55 1vle h ILE 371 N 1.21 1.29 0.18 -1.22 2.04 -0.84 -1.84 117.51 118.33 1vle h ILE 371 Ca 0.30 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.87 1vle h ILE 371 Cb 0.06 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1vle h ILE 371 CO -0.04 0.42 -0.25 0.00 0.00 0.00 0.00 178.15 178.28 1vle h ALA 372 N 0.77 -0.47 -0.60 1.87 0.00 0.07 0.12 119.26 121.01 1vle h ALA 372 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1vle h ALA 372 Cb 0.72 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1vle h ALA 372 CO 0.05 -0.81 0.39 -0.07 0.00 0.00 0.00 179.25 178.82 1vle h LEU 373 N -0.49 0.70 -1.19 0.00 4.07 -1.17 -0.78 115.31 116.44 1vle h LEU 373 Ca 0.01 -0.03 -0.07 0.00 0.08 0.00 0.00 57.88 57.88 1vle h LEU 373 Cb 0.49 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1vle h LEU 373 CO -0.11 0.52 -0.14 0.00 -1.08 0.00 0.00 178.44 177.62 1vle h ALA 374 N 1.21 1.33 -0.11 1.53 0.00 -1.09 -2.82 119.26 119.32 1vle h ALA 374 Ca 0.22 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1vle h ALA 374 Cb -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1vle h ALA 374 CO -0.05 0.45 -0.21 1.15 0.00 0.00 0.00 179.25 180.60 1vle h THR 375 N 0.36 1.39 -0.02 0.00 2.02 -0.23 -1.57 112.91 114.85 1vle h THR 375 Ca 0.07 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.76 1vle h THR 375 Cb 0.47 2.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1vle h THR 375 CO 0.03 0.43 0.01 0.24 0.37 0.00 0.00 175.52 176.60 1vle h MET 376 N -0.11 0.00 -0.51 6.66 2.07 -1.03 -0.38 114.93 121.62 1vle h MET 376 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1vle h MET 376 Cb 0.79 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.52 1vle h MET 376 CO 0.05 0.00 0.00 1.04 1.07 0.00 0.00 176.91 179.07 1vle n GLN 377 N -4.34 2.25 -2.84 1.72 1.13 -1.08 -0.36 117.38 113.86 1vle n GLN 377 Ca -0.03 -1.79 -0.11 0.00 -1.94 0.00 0.00 57.00 53.14 1vle n GLN 377 Cb 0.11 -1.43 0.05 0.00 0.11 0.00 0.00 30.24 29.08 1vle n GLN 377 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vle n GLY 378 N 1.22 -0.16 3.63 1.08 0.00 -0.15 -4.81 105.19 105.99 1vle n GLY 378 Ca 0.17 -0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 1vle n GLY 378 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1vle n MET 379 N -2.91 1.66 0.00 1.61 0.00 -0.60 -2.92 117.12 113.96 1vle n MET 379 Ca -0.15 0.59 0.00 0.00 0.00 0.00 0.00 57.70 58.14 1vle n MET 379 Cb 0.60 -2.15 0.00 0.00 0.00 0.00 0.00 33.22 31.67 1vle n MET 379 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vle n GLY 380 N 1.91 1.79 3.91 3.17 0.00 0.07 -4.50 105.19 111.55 1vle n GLY 380 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1vle n GLY 380 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vle s LYS 381 N -0.13 3.34 0.19 1.61 -2.85 -1.15 -3.72 119.74 117.04 1vle s LYS 381 Ca 0.00 0.06 -0.33 0.00 -1.00 0.00 0.00 55.97 54.70 1vle s LYS 381 Cb 0.00 -2.38 -0.14 0.00 -2.06 0.00 0.00 37.83 33.25 1vle s LYS 381 CO 0.00 -0.32 1.47 -2.30 0.10 0.00 0.00 175.35 174.30 1vle n PRO 382 N -2.31 1.98 -0.99 1.78 -0.02 -1.26 -1.66 135.00 132.52 1vle n PRO 382 Ca 0.01 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1vle n PRO 382 Cb 0.56 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1vle n PRO 382 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vle n GLY 383 N 2.75 0.91 2.82 -1.23 0.00 -1.26 -5.00 105.19 104.19 1vle n GLY 383 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 1vle n GLY 383 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vle s SER 384 N -2.84 0.80 -0.08 1.61 0.15 -0.67 -2.45 113.70 110.23 1vle s SER 384 Ca 0.00 0.30 -0.32 0.00 0.70 0.00 0.00 55.95 56.63 1vle s SER 384 Cb 0.00 0.25 0.14 0.00 -1.71 0.00 0.00 66.02 64.70 1vle s SER 384 CO 0.00 -0.25 1.40 0.21 1.20 0.00 0.00 173.24 175.80 1vle s ASN 385 N 2.29 -0.01 -0.45 5.45 3.84 -1.25 -0.75 114.94 124.06 1vle s ASN 385 Ca 0.03 -0.04 -0.19 0.00 0.21 0.00 0.00 52.86 52.88 1vle s ASN 385 Cb -0.12 0.04 0.03 0.00 -0.55 0.00 0.00 41.25 40.65 1vle s ASN 385 CO -0.06 -0.08 0.53 -0.32 -2.79 0.00 0.00 177.10 174.39 1vle s MET 386 N -2.09 3.14 -0.10 0.43 -2.45 -1.26 -1.21 119.30 115.77 1vle s MET 386 Ca 0.18 -0.71 -0.05 0.00 -1.25 0.00 0.00 55.69 53.85 1vle s MET 386 Cb 0.06 -4.00 0.04 0.00 1.25 0.00 0.00 34.83 32.18 1vle s MET 386 CO -0.06 -0.99 0.23 -0.46 1.05 0.00 0.00 175.02 174.80 1vle s TRP 387 N 2.41 -0.30 -1.97 4.11 -0.00 -0.17 -4.91 118.94 118.10 1vle s TRP 387 Ca 0.15 0.73 0.21 0.00 -0.00 0.00 0.00 56.10 57.19 1vle s TRP 387 Cb -0.17 0.04 0.51 0.00 -0.00 0.00 0.00 33.47 33.85 1vle s TRP 387 CO 0.14 -0.21 1.43 0.43 -0.00 0.00 0.00 176.95 178.75 1vle n SER 388 N 4.04 3.61 0.00 5.86 7.64 -1.26 -3.13 113.62 130.37 1vle n SER 388 Ca -0.24 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.66 1vle n SER 388 Cb 0.54 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1vle n SER 388 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1vle n THR 389 N 1.42 0.00 -0.06 0.44 -2.24 -1.26 -4.86 114.28 107.72 1vle n THR 389 Ca 0.21 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.87 1vle n THR 389 Cb 0.58 -0.12 -0.15 0.00 -2.10 0.00 0.00 70.33 68.54 1vle n THR 389 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1vle n THR 390 N -2.00 1.54 -3.67 4.28 -2.24 -1.26 -4.89 114.28 106.03 1vle n THR 390 Ca 0.00 -0.78 -0.16 0.00 -2.27 0.00 0.00 64.05 60.84 1vle n THR 390 Cb 0.00 -0.94 0.01 0.00 -2.10 0.00 0.00 70.33 67.29 1vle n THR 390 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vle n GLN 391 N -3.01 0.94 -0.22 -0.78 6.02 -1.26 -4.06 117.38 115.02 1vle n GLN 391 Ca -0.28 -2.19 0.00 0.00 -0.01 0.00 0.00 57.00 54.52 1vle n GLN 391 Cb 1.09 0.20 0.00 0.00 1.02 0.00 0.00 30.24 32.54 1vle n GLN 391 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vle n GLY 392 N 0.71 0.70 3.75 1.08 0.00 -1.22 -4.37 105.19 105.84 1vle n GLY 392 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1vle n GLY 392 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vle s VAL 393 N -2.31 2.52 0.00 1.61 1.01 -1.19 -1.98 120.40 120.06 1vle s VAL 393 Ca 0.00 0.46 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 1vle s VAL 393 Cb 0.00 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 1vle s VAL 393 CO 0.00 0.08 0.94 -2.65 0.00 0.00 0.00 175.10 173.48 1vle n PRO 394 N 1.81 0.47 -1.30 2.72 -0.02 -1.26 -4.62 135.00 132.80 1vle n PRO 394 Ca 0.05 -0.02 -0.30 0.00 -2.02 0.00 0.00 63.50 61.21 1vle n PRO 394 Cb 0.40 -1.29 0.12 0.00 -0.02 0.00 0.00 33.50 32.71 1vle n PRO 394 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1vle s LEU 395 N 0.00 2.44 -0.91 2.45 1.43 -1.26 -4.76 118.68 118.07 1vle s LEU 395 Ca 0.01 1.48 -0.24 0.00 -1.03 0.00 0.00 54.13 54.35 1vle s LEU 395 Cb 0.01 -3.99 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 1vle s LEU 395 CO 0.00 -2.39 1.81 -0.62 0.23 0.00 0.00 176.35 175.38 1vle s ASP 396 N -3.54 5.48 0.50 2.29 3.68 -1.26 -4.80 116.67 119.02 1vle s ASP 396 Ca 0.62 -0.78 0.34 0.00 2.13 0.00 0.00 52.55 54.86 1vle s ASP 396 Cb -0.17 -2.56 1.70 0.00 -1.45 0.00 0.00 42.92 40.44 1vle s ASP 396 CO 0.56 -2.42 2.02 1.88 0.13 0.00 0.00 175.17 177.34 1vle h TYR 397 N 11.17 0.00 0.00 -5.34 0.99 -1.95 -2.45 116.97 119.38 1vle h TYR 397 Ca 0.09 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.67 1vle h TYR 397 Cb 1.02 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.73 1vle h TYR 397 CO 1.22 0.00 -0.72 0.93 -0.00 0.00 0.00 178.16 179.59 1vle h GLU 398 N 0.00 0.00 -6.67 4.88 5.08 -2.00 -3.44 114.58 112.43 1vle h GLU 398 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1vle h GLU 398 Cb 0.14 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.43 1vle h GLU 398 CO 0.00 0.69 0.67 0.12 -1.00 0.00 0.00 179.01 179.48 1vle s PHE 399 N -2.86 3.24 -0.21 4.33 5.36 -0.92 -5.00 117.98 121.92 1vle s PHE 399 Ca 0.03 1.18 -0.04 0.00 -0.96 0.00 0.00 56.93 57.14 1vle s PHE 399 Cb 0.08 -3.62 -0.02 0.00 -0.34 0.00 0.00 43.02 39.12 1vle s PHE 399 CO 0.78 -1.98 -0.03 -0.47 -1.46 0.00 0.00 175.22 172.06 1vle s TYR 400 N 0.19 2.98 -0.07 10.12 5.04 -1.26 -5.03 117.35 129.32 1vle s TYR 400 Ca 0.57 -0.71 -0.03 0.00 -2.44 0.00 0.00 57.07 54.46 1vle s TYR 400 Cb -0.37 -2.08 0.04 0.00 0.35 0.00 0.00 41.96 39.90 1vle s TYR 400 CO 0.38 -0.40 0.14 0.12 -1.34 0.00 0.00 175.55 174.45 1vle s PHE 401 N 1.23 -0.15 0.41 4.97 5.36 -1.26 -1.37 117.98 127.17 1vle s PHE 401 Ca 0.03 0.49 -0.26 0.00 -0.96 0.00 0.00 56.93 56.22 1vle s PHE 401 Cb -0.14 -0.15 -0.09 0.00 -0.34 0.00 0.00 43.02 42.30 1vle s PHE 401 CO -0.00 -0.19 1.36 -2.14 -1.46 0.00 0.00 175.22 172.79 1vle s PRO 402 N 1.48 3.92 0.53 10.12 0.02 -1.26 -5.05 135.00 144.76 1vle s PRO 402 Ca -0.06 2.28 -0.02 0.00 0.02 0.00 0.00 61.00 63.22 1vle s PRO 402 Cb -0.12 -2.77 0.01 0.00 0.02 0.00 0.00 34.50 31.65 1vle s PRO 402 CO -0.06 -0.57 0.79 0.20 -0.33 0.00 0.00 177.00 177.03 1vle s GLY 403 N -0.60 1.65 0.44 0.52 0.00 -1.26 -4.80 107.32 103.27 1vle s GLY 403 Ca 0.57 -1.01 0.13 0.00 0.00 0.00 0.00 44.72 44.41 1vle s GLY 403 CO 0.53 -0.76 2.00 0.10 0.00 0.00 0.00 173.10 174.97 1vle h TYR 404 N 0.08 0.11 0.00 1.90 -0.00 -1.43 -2.14 116.97 115.48 1vle h TYR 404 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.27 1vle h TYR 404 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 36.73 37.97 1vle h TYR 404 CO 0.43 0.21 0.00 0.00 -0.00 0.00 0.00 178.16 178.80 1vle n ALA 405 N -2.51 1.30 1.70 0.10 0.00 -0.81 -2.81 120.51 117.50 1vle n ALA 405 Ca -0.02 0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.49 1vle n ALA 405 Cb 0.21 -1.20 0.09 0.00 0.00 0.00 0.00 19.45 18.56 1vle n ALA 405 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vle n GLU 406 N -1.79 1.22 0.00 0.00 1.02 -0.80 -0.88 120.64 119.40 1vle n GLU 406 Ca 0.01 -0.34 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 1vle n GLU 406 Cb 0.09 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1vle n GLU 406 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vle n GLY 407 N 0.68 3.33 7.00 0.62 0.00 -1.12 -2.47 105.19 113.22 1vle n GLY 407 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1vle n GLY 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vle n GLY 408 N -1.91 3.21 0.33 -0.02 0.00 -1.26 -1.15 105.19 104.39 1vle n GLY 408 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.25 1vle n GLY 408 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vle n ILE 409 N 0.00 0.17 0.02 -0.61 -5.35 -1.26 -3.92 119.36 108.40 1vle n ILE 409 Ca 0.00 -0.22 -0.21 0.00 -0.27 0.00 0.00 62.75 62.05 1vle n ILE 409 Cb 0.00 0.10 -0.14 0.00 -1.74 0.00 0.00 39.64 37.86 1vle n ILE 409 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1vle h SER 410 N 1.23 0.44 -0.76 7.28 4.64 -1.25 -3.43 113.55 121.69 1vle h SER 410 Ca 0.00 -0.91 -0.33 0.00 -0.47 0.00 0.00 61.79 60.08 1vle h SER 410 Cb 0.27 -0.14 -0.13 0.00 -0.31 0.00 0.00 62.40 62.09 1vle h SER 410 CO 0.00 1.81 -0.30 0.61 -0.87 0.00 0.00 176.83 178.08 1vle n GLY 411 N 1.95 1.61 3.58 -0.77 0.00 -1.25 0.25 105.19 110.56 1vle n GLY 411 Ca -0.30 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1vle n GLY 411 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vle s ASP 412 N -2.79 5.67 0.23 1.61 -1.08 -1.26 -4.64 116.67 114.40 1vle s ASP 412 Ca 0.00 0.74 0.25 0.00 -0.52 0.00 0.00 52.55 53.02 1vle s ASP 412 Cb 0.00 -2.53 0.91 0.00 -1.46 0.00 0.00 42.92 39.84 1vle s ASP 412 CO 0.00 -1.99 1.74 0.00 0.52 0.00 0.00 175.17 175.44 1vle n GLU 414 N -2.22 0.59 -0.04 0.00 2.13 -1.26 -4.55 120.64 115.29 1vle n GLU 414 Ca 0.04 -0.13 0.04 0.00 0.66 0.00 0.00 57.16 57.77 1vle n GLU 414 Cb 0.32 -1.34 0.05 0.00 0.27 0.00 0.00 31.44 30.74 1vle n GLU 414 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1vle n ASN 415 N -1.96 1.94 -3.87 4.31 3.02 -1.23 -5.01 115.26 112.46 1vle n ASN 415 Ca -0.02 -1.54 -0.13 0.00 -0.03 0.00 0.00 54.58 52.86 1vle n ASN 415 Cb 0.37 -0.05 -0.08 0.00 -0.61 0.00 0.00 39.78 39.41 1vle n ASN 415 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1vle s SER 416 N -0.74 0.46 -0.15 6.41 1.04 -0.95 -5.02 113.70 114.75 1vle s SER 416 Ca 0.11 -1.36 0.09 0.00 0.48 0.00 0.00 55.95 55.26 1vle s SER 416 Cb 0.07 0.50 0.51 0.00 0.10 0.00 0.00 66.02 67.20 1vle s SER 416 CO 0.09 -1.01 1.28 0.00 0.98 0.00 0.00 173.24 174.58 1vle n ALA 417 N -0.40 3.37 0.06 5.32 0.00 -0.06 -4.46 120.51 124.34 1vle n ALA 417 Ca 0.02 -1.19 0.13 0.00 0.00 0.00 0.00 53.44 52.40 1vle n ALA 417 Cb 0.64 -1.08 0.61 0.00 0.00 0.00 0.00 19.45 19.61 1vle n ALA 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vle h ALA 418 N 3.26 2.16 0.00 0.00 0.00 -1.67 -2.46 119.26 120.55 1vle h ALA 418 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1vle h ALA 418 Cb 1.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1vle h ALA 418 CO 0.31 -0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1vle n GLY 419 N -1.57 -0.91 0.08 0.00 0.00 -1.26 -1.43 105.19 100.11 1vle n GLY 419 Ca 0.05 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1vle n GLY 419 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1vle h PHE 420 N 0.00 -0.05 0.00 1.61 3.57 -1.81 -3.47 116.94 116.79 1vle h PHE 420 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1vle h PHE 420 Cb 0.18 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1vle h PHE 420 CO 0.00 0.60 0.00 1.17 -2.23 0.00 0.00 178.31 177.85 1vle n LYS 421 N -4.77 0.00 -0.02 1.11 4.81 -1.20 -4.99 118.16 113.10 1vle n LYS 421 Ca -0.08 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.26 1vle n LYS 421 Cb 0.33 -0.13 -0.03 0.00 0.02 0.00 0.00 35.03 35.22 1vle n LYS 421 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1vle h PHE 422 N 0.00 -0.18 -1.00 5.64 3.57 -1.84 -2.57 116.94 120.56 1vle h PHE 422 Ca 0.00 0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.73 1vle h PHE 422 Cb 0.00 0.10 -0.10 0.00 2.79 0.00 0.00 35.95 38.74 1vle h PHE 422 CO 0.00 -0.12 0.62 0.00 -2.23 0.00 0.00 178.31 176.58 1vle h ALA 423 N 1.07 1.86 0.00 2.41 0.00 -1.52 0.60 119.26 123.68 1vle h ALA 423 Ca 0.08 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1vle h ALA 423 Cb 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1vle h ALA 423 CO -0.19 -0.24 0.00 -1.49 0.00 0.00 0.00 179.25 177.33 1vle h TRP 424 N 0.63 0.00 0.00 0.00 4.06 -1.67 -1.77 115.95 117.20 1vle h TRP 424 Ca 0.58 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 61.15 1vle h TRP 424 Cb 1.08 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 29.17 1vle h TRP 424 CO -0.00 0.00 -2.43 0.54 -3.56 0.00 0.00 178.44 172.99 1vle n ARG 425 N -2.95 0.68 0.11 0.49 1.74 0.14 -4.54 116.66 112.33 1vle n ARG 425 Ca 0.01 0.07 -0.04 0.00 -0.77 0.00 0.00 57.85 57.11 1vle n ARG 425 Cb 0.27 -1.52 0.08 0.00 -1.02 0.00 0.00 32.46 30.27 1vle n ARG 425 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1vle h MET 426 N 0.00 0.06 -6.64 5.56 4.05 0.05 -3.44 114.93 114.58 1vle h MET 426 Ca -0.56 -0.06 -0.66 0.00 -0.28 0.00 0.00 59.70 58.14 1vle h MET 426 Cb 2.07 0.01 -0.18 0.00 -0.80 0.00 0.00 31.60 32.70 1vle h MET 426 CO -0.03 0.77 -0.81 -0.06 0.23 0.00 0.00 176.91 177.01 1vle s PHE 427 N -3.39 2.41 0.00 1.39 0.40 -0.68 -4.96 117.98 113.15 1vle s PHE 427 Ca -0.01 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1vle s PHE 427 Cb 0.12 -1.22 0.00 0.00 0.51 0.00 0.00 43.02 42.43 1vle s PHE 427 CO 0.79 0.46 0.56 -0.40 0.70 0.00 0.00 175.22 177.33 1vle n ASP 428 N 0.40 1.05 -2.04 1.36 5.68 -1.24 -4.77 116.55 116.99 1vle n ASP 428 Ca -0.13 -1.26 -0.19 0.00 -0.50 0.00 0.00 54.79 52.70 1vle n ASP 428 Cb 0.55 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.49 1vle n ASP 428 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vle n GLY 429 N -0.13 0.51 1.79 6.12 0.00 -1.25 -4.73 105.19 107.50 1vle n GLY 429 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vle n GLY 429 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vle n LYS 430 N -2.68 0.00 -0.00 1.61 5.02 -1.26 -4.99 118.16 115.86 1vle n LYS 430 Ca -0.21 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.10 1vle n LYS 430 Cb 0.66 -0.11 -0.03 0.00 -0.02 0.00 0.00 35.03 35.53 1vle n LYS 430 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1vle n THR 431 N -3.14 0.00 -3.78 -0.18 -2.24 -1.26 -5.02 114.28 98.66 1vle n THR 431 Ca 0.00 -0.15 -0.14 0.00 -2.27 0.00 0.00 64.05 61.49 1vle n THR 431 Cb 0.04 0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 68.62 1vle n THR 431 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1vle s THR 432 N -2.15 -0.05 0.14 4.28 -1.32 -1.26 -5.08 115.64 110.21 1vle s THR 432 Ca -0.01 0.17 0.08 0.00 -1.21 0.00 0.00 61.69 60.72 1vle s THR 432 Cb 0.03 -0.12 -0.04 0.00 -1.51 0.00 0.00 72.50 70.85 1vle s THR 432 CO 0.18 0.07 -0.18 -0.36 -2.21 0.00 0.00 174.62 172.11 1vle s PHE 433 N 0.91 1.75 1.01 9.09 0.40 -1.26 -3.61 117.98 126.27 1vle s PHE 433 Ca -0.07 -0.47 -0.14 0.00 -0.60 0.00 0.00 56.93 55.65 1vle s PHE 433 Cb -0.10 -0.90 0.19 0.00 0.51 0.00 0.00 43.02 42.72 1vle s PHE 433 CO -0.03 0.27 1.13 -2.14 0.70 0.00 0.00 175.22 175.14 1vle s PRO 434 N -2.53 0.35 -0.45 0.24 0.02 -1.26 -4.99 135.00 126.38 1vle s PRO 434 Ca 0.12 0.25 0.02 0.00 0.02 0.00 0.00 61.00 61.42 1vle s PRO 434 Cb -0.07 -1.75 0.13 0.00 0.02 0.00 0.00 34.50 32.83 1vle s PRO 434 CO 0.05 -2.73 0.24 0.45 -0.33 0.00 0.00 177.00 174.69 1vle s SER 435 N -3.84 3.78 0.55 2.53 0.15 0.14 -5.00 113.70 112.01 1vle s SER 435 Ca 0.66 -2.68 -0.13 0.00 0.70 0.00 0.00 55.95 54.50 1vle s SER 435 Cb -0.15 -1.14 -0.06 0.00 -1.71 0.00 0.00 66.02 62.96 1vle s SER 435 CO 0.55 -0.26 0.98 -2.84 1.20 0.00 0.00 173.24 172.88 1vle s PRO 436 N 0.25 3.78 -0.17 5.44 0.02 -1.26 -4.45 135.00 138.60 1vle s PRO 436 Ca 0.17 0.81 0.01 0.00 0.02 0.00 0.00 61.00 62.02 1vle s PRO 436 Cb -0.25 -2.14 0.02 0.00 0.02 0.00 0.00 34.50 32.16 1vle s PRO 436 CO 0.00 -0.38 -0.20 0.45 -0.33 0.00 0.00 177.00 176.55 1vle s SER 437 N -3.58 3.09 0.00 2.53 0.15 -1.26 -4.72 113.70 109.91 1vle s SER 437 Ca 0.56 -0.63 0.18 0.00 0.70 0.00 0.00 55.95 56.76 1vle s SER 437 Cb -0.10 -1.45 0.62 0.00 -1.71 0.00 0.00 66.02 63.37 1vle s SER 437 CO 0.41 0.00 1.46 -0.46 1.20 0.00 0.00 173.24 175.86 1vle n ASN 438 N 4.57 1.75 -0.04 5.45 6.94 -1.26 -4.01 115.26 128.65 1vle n ASN 438 Ca -0.21 -1.80 -0.06 0.00 -0.02 0.00 0.00 54.58 52.50 1vle n ASN 438 Cb 0.50 -0.15 -0.04 0.00 -2.36 0.00 0.00 39.78 37.73 1vle n ASN 438 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1vle n LEU 439 N 0.40 2.66 -3.75 -4.53 4.77 -1.26 -4.65 117.00 110.64 1vle n LEU 439 Ca 0.15 -0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 1vle n LEU 439 Cb 0.32 -0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1vle n LEU 439 CO 0.12 0.60 2.46 -3.20 -1.33 0.00 0.00 177.39 176.04 1vle n ASN 440 N -2.71 4.68 -3.66 -1.43 5.15 -1.26 -1.39 115.26 114.64 1vle n ASN 440 Ca -0.16 -2.93 -0.11 0.00 -0.60 0.00 0.00 54.58 50.78 1vle n ASN 440 Cb 0.68 -1.58 -0.05 0.00 -0.53 0.00 0.00 39.78 38.30 1vle n ASN 440 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1vle s THR 441 N 2.02 0.07 0.35 -0.44 -1.32 -1.26 -4.83 115.64 110.22 1vle s THR 441 Ca 0.46 -0.60 0.11 0.00 -1.21 0.00 0.00 61.69 60.45 1vle s THR 441 Cb 0.13 -1.13 0.34 0.00 -1.51 0.00 0.00 72.50 70.32 1vle s THR 441 CO -0.06 -0.33 1.79 0.28 -2.21 0.00 0.00 174.62 174.09 1vle h SER 442 N 2.53 0.62 0.34 8.08 0.02 -1.98 0.19 113.55 123.36 1vle h SER 442 Ca -0.33 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1vle h SER 442 Cb 1.24 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1vle h SER 442 CO 0.47 0.20 -0.05 0.00 -1.14 0.00 0.00 176.83 176.30 1vle n ALA 443 N -2.40 2.65 -1.97 3.77 0.00 -1.26 -4.76 120.51 116.54 1vle n ALA 443 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1vle n ALA 443 Cb 0.68 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1vle n ALA 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vle n GLY 444 N 1.22 0.52 3.01 0.00 0.00 0.67 -5.02 105.19 105.60 1vle n GLY 444 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 1vle n GLY 444 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vle s GLN 445 N 3.82 0.17 0.17 1.61 0.74 -0.49 -4.83 119.66 120.85 1vle s GLN 445 Ca 0.00 0.38 -0.12 0.00 0.05 0.00 0.00 55.36 55.67 1vle s GLN 445 Cb 0.00 -0.06 0.01 0.00 1.10 0.00 0.00 33.01 34.06 1vle s GLN 445 CO 0.00 -0.11 0.36 -3.38 -0.55 0.00 0.00 175.29 171.61 1vle s HIS 446 N 0.82 0.18 0.09 1.67 -3.43 -1.26 -3.77 115.29 109.59 1vle s HIS 446 Ca -0.06 -0.54 0.04 0.00 -0.80 0.00 0.00 55.06 53.69 1vle s HIS 446 Cb -0.08 0.11 -0.03 0.00 -1.43 0.00 0.00 32.58 31.15 1vle s HIS 446 CO -0.05 -0.78 -0.10 0.96 -2.00 0.00 0.00 174.74 172.78 1vle s ILE 447 N -3.92 0.91 0.19 -5.38 -4.36 -0.25 -4.89 121.20 103.49 1vle s ILE 447 Ca 0.13 -1.59 -0.30 0.00 -0.26 0.00 0.00 60.65 58.63 1vle s ILE 447 Cb 0.02 -1.30 -0.08 0.00 1.25 0.00 0.00 42.46 42.35 1vle s ILE 447 CO -0.02 -0.54 1.17 -2.84 0.24 0.00 0.00 174.94 172.95 1vle s PRO 448 N -2.67 4.52 0.39 0.37 0.02 -1.26 -0.99 135.00 135.38 1vle s PRO 448 Ca 0.04 1.84 0.08 0.00 0.02 0.00 0.00 61.00 62.98 1vle s PRO 448 Cb -0.04 -3.24 0.84 0.00 0.02 0.00 0.00 34.50 32.08 1vle s PRO 448 CO 0.00 -0.04 1.98 -0.09 -0.33 0.00 0.00 177.00 178.52 1vle h ARG 449 N 5.12 0.61 0.00 5.54 2.43 -1.49 -1.51 114.38 125.08 1vle h ARG 449 Ca -0.45 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1vle h ARG 449 Cb 1.21 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1vle h ARG 449 CO 0.74 0.40 0.00 -0.07 -1.51 0.00 0.00 179.97 179.53 1vle h LEU 450 N 0.63 0.00 -2.96 3.80 3.38 -1.91 -3.20 115.31 115.04 1vle h LEU 450 Ca 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1vle h LEU 450 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1vle h LEU 450 CO -0.09 0.00 -0.42 0.29 0.09 0.00 0.00 178.44 178.31 1vle n LYS 451 N -2.65 1.29 -0.13 1.13 4.76 -0.59 -4.76 118.16 117.21 1vle n LYS 451 Ca 0.02 -2.90 -0.08 0.00 -2.87 0.00 0.00 58.31 52.48 1vle n LYS 451 Cb 0.28 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 1vle n LYS 451 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1vle h ILE 452 N 1.57 1.10 -0.79 -0.18 2.04 -1.50 -1.98 117.51 117.77 1vle h ILE 452 Ca -0.02 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.73 1vle h ILE 452 Cb 1.10 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.62 1vle h ILE 452 CO 0.01 0.10 0.46 -0.65 0.00 0.00 0.00 178.15 178.07 1vle h PRO 453 N 0.55 0.78 -0.46 2.37 0.11 -1.87 -1.09 132.00 132.40 1vle h PRO 453 Ca 0.15 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.09 1vle h PRO 453 Cb -0.06 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 1vle h PRO 453 CO -0.04 0.52 -0.22 0.93 -0.21 0.00 0.00 178.00 178.98 1vle h GLU 454 N 0.81 0.93 -0.50 1.05 3.07 -1.87 -1.30 114.58 116.78 1vle h GLU 454 Ca 0.37 -0.39 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1vle h GLU 454 Cb 0.27 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1vle h GLU 454 CO -0.21 1.06 0.25 0.00 -1.40 0.00 0.00 179.01 178.70 1vle h ILE 456 N 0.66 1.35 0.00 0.00 2.04 -1.14 0.83 117.51 121.25 1vle h ILE 456 Ca 0.17 -1.03 -0.13 0.00 1.00 0.00 0.00 64.86 64.87 1vle h ILE 456 Cb 0.10 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1vle h ILE 456 CO -0.02 0.27 -0.81 0.24 0.00 0.00 0.00 178.15 177.82 1vle h MET 457 N -0.40 0.00 0.00 2.37 2.86 -1.25 -3.34 114.93 115.17 1vle h MET 457 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1vle h MET 457 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1vle h MET 457 CO 0.00 0.48 -1.90 0.41 1.06 0.00 0.00 176.91 176.95 1vle n GLY 458 N 1.29 -1.03 2.58 8.32 0.00 0.19 -4.98 105.19 111.56 1vle n GLY 458 Ca -0.02 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.46 1vle n GLY 458 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vle n GLY 459 N 1.26 0.56 3.58 -0.02 0.00 0.29 -4.94 105.19 105.92 1vle n GLY 459 Ca -0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1vle n GLY 459 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vle s LYS 460 N -1.89 0.77 0.03 1.61 2.20 -1.25 -4.44 119.74 116.78 1vle s LYS 460 Ca 0.00 0.43 -0.27 0.00 -0.36 0.00 0.00 55.97 55.77 1vle s LYS 460 Cb 0.00 0.37 0.09 0.00 -1.51 0.00 0.00 37.83 36.78 1vle s LYS 460 CO 0.00 -0.19 0.82 0.12 -0.36 0.00 0.00 175.35 175.74 1vle s PHE 461 N -0.59 -0.39 -0.08 4.03 5.36 -0.74 -4.54 117.98 121.03 1vle s PHE 461 Ca -0.03 0.24 -0.06 0.00 -0.96 0.00 0.00 56.93 56.12 1vle s PHE 461 Cb -0.02 0.54 0.03 0.00 -0.34 0.00 0.00 43.02 43.23 1vle s PHE 461 CO 0.03 -0.62 0.19 -1.14 -1.46 0.00 0.00 175.22 172.22 1vle s GLN 462 N -3.27 0.20 0.03 10.12 -0.44 -1.26 -0.64 119.66 124.40 1vle s GLN 462 Ca 0.04 0.34 -0.01 0.00 -2.50 0.00 0.00 55.36 53.23 1vle s GLN 462 Cb -0.01 0.02 0.00 0.00 -1.64 0.00 0.00 33.01 31.38 1vle s GLN 462 CO -0.10 -0.08 0.05 -2.67 0.50 0.00 0.00 175.29 173.00 1vle n TRP 463 N 3.43 -0.77 -5.24 1.67 2.14 -0.57 -5.01 117.44 113.09 1vle n TRP 463 Ca -0.17 -0.19 -0.31 0.00 2.07 0.00 0.00 57.50 58.90 1vle n TRP 463 Cb 0.56 0.06 -0.16 0.00 -0.81 0.00 0.00 31.31 30.96 1vle n TRP 463 CO 0.00 0.00 0.00 -1.12 2.07 0.00 0.00 177.69 178.64 1vle s SER 464 N -1.19 2.98 0.18 -0.67 0.01 -1.26 -1.23 113.70 112.52 1vle s SER 464 Ca 0.02 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1vle s SER 464 Cb -0.00 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.54 1vle s SER 464 CO 0.02 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.53 1vle n GLY 465 N 2.83 -2.99 3.15 3.44 0.00 0.92 -4.70 105.19 107.84 1vle n GLY 465 Ca -0.17 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.25 1vle n GLY 465 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vle s LYS 466 N -3.85 2.44 3.09 1.61 2.20 -1.26 -4.89 119.74 119.07 1vle s LYS 466 Ca 0.00 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.37 1vle s LYS 466 Cb 0.00 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1vle s LYS 466 CO 0.00 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.83 1vle n GLY 467 N 4.58 2.97 3.52 5.54 0.00 -1.26 -3.84 105.19 116.71 1vle n GLY 467 Ca -0.14 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1vle n GLY 467 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vle s PHE 468 N 0.00 2.65 -1.28 1.61 0.40 -1.23 -4.40 117.98 115.73 1vle s PHE 468 Ca 0.00 -0.07 -0.07 0.00 -0.60 0.00 0.00 56.93 56.19 1vle s PHE 468 Cb 0.00 -4.29 0.16 0.00 0.51 0.00 0.00 43.02 39.40 1vle s PHE 468 CO 0.00 -1.58 2.06 0.00 0.70 0.00 0.00 175.22 176.40 1vle n ALA 469 N 8.00 5.96 1.49 5.36 0.00 -1.25 -4.70 120.51 135.37 1vle n ALA 469 Ca 0.02 -4.26 0.14 0.00 0.00 0.00 0.00 53.44 49.34 1vle n ALA 469 Cb 0.48 -2.84 0.53 0.00 0.00 0.00 0.00 19.45 17.61 1vle n ALA 469 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vle n GLY 470 N 2.21 -0.14 0.18 0.00 0.00 -1.26 -4.29 105.19 101.89 1vle n GLY 470 Ca 0.48 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1vle n GLY 470 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vle h GLY 471 N 4.87 0.59 -2.95 -0.02 0.00 -1.84 -2.98 103.07 100.74 1vle h GLY 471 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1vle h GLY 471 CO 0.00 0.24 0.14 -0.35 0.00 0.00 0.00 176.54 176.56 1vle s ASP 472 N -5.64 -0.46 0.20 0.19 2.15 -1.26 -4.86 116.67 106.99 1vle s ASP 472 Ca -0.13 -0.13 -0.14 0.00 0.43 0.00 0.00 52.55 52.58 1vle s ASP 472 Cb 0.11 0.58 0.20 0.00 -0.30 0.00 0.00 42.92 43.51 1vle s ASP 472 CO 0.73 -0.97 1.64 0.40 -0.17 0.00 0.00 175.17 176.80 1vle h ILE 473 N 2.09 0.42 -0.00 4.11 2.04 -1.89 -2.42 117.51 121.86 1vle h ILE 473 Ca -0.33 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1vle h ILE 473 Cb 1.29 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1vle h ILE 473 CO 0.39 0.00 0.00 -1.20 0.00 0.00 0.00 178.15 177.34 1vle n SER 474 N -5.40 0.36 -0.16 1.72 7.64 -1.26 -4.07 113.62 112.45 1vle n SER 474 Ca 0.06 -1.13 0.01 0.00 1.01 0.00 0.00 58.87 58.83 1vle n SER 474 Cb 0.30 -0.00 0.29 0.00 -1.01 0.00 0.00 64.21 63.79 1vle n SER 474 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1vle h HIS 475 N 0.56 0.83 0.00 1.43 3.86 -1.72 -1.44 115.15 118.67 1vle h HIS 475 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1vle h HIS 475 Cb 0.12 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.31 1vle h HIS 475 CO 0.00 0.53 0.00 0.00 0.86 0.00 0.00 177.93 179.32 1vle n GLN 476 N -4.43 0.13 0.06 2.45 10.64 -1.26 -2.31 117.38 122.67 1vle n GLN 476 Ca 0.07 0.51 0.12 0.00 -1.83 0.00 0.00 57.00 55.87 1vle n GLN 476 Cb 0.04 -1.84 0.26 0.00 -0.86 0.00 0.00 30.24 27.85 1vle n GLN 476 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1vle n LEU 477 N -2.10 0.67 -4.77 2.61 4.77 -0.54 -1.82 117.00 115.81 1vle n LEU 477 Ca 0.01 0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.88 1vle n LEU 477 Cb 0.12 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1vle n LEU 477 CO 0.13 -0.06 1.17 -2.28 -1.33 0.00 0.00 177.39 175.01 1vle s HIS 478 N -3.13 2.66 -0.01 -1.77 2.46 -0.98 -4.67 115.29 109.86 1vle s HIS 478 Ca 0.08 1.05 -0.16 0.00 0.47 0.00 0.00 55.06 56.50 1vle s HIS 478 Cb 0.14 -4.02 -0.06 0.00 -0.13 0.00 0.00 32.58 28.51 1vle s HIS 478 CO 0.68 -3.14 0.45 -0.65 -2.47 0.00 0.00 174.74 169.61 1vle s GLN 479 N -1.55 4.05 0.19 2.88 -1.52 -1.26 -0.05 119.66 122.39 1vle s GLN 479 Ca 0.56 0.48 0.04 0.00 -1.95 0.00 0.00 55.36 54.49 1vle s GLN 479 Cb -0.47 -3.26 -0.05 0.00 -0.22 0.00 0.00 33.01 29.01 1vle s GLN 479 CO 0.58 0.59 -0.06 0.71 -0.25 0.00 0.00 175.29 176.85 1vle s TYR 480 N -0.78 1.44 0.05 0.91 1.51 -0.37 -4.94 117.35 115.17 1vle s TYR 480 Ca 0.25 -0.82 -0.05 0.00 -1.01 0.00 0.00 57.07 55.44 1vle s TYR 480 Cb -0.17 -0.78 -0.02 0.00 -0.11 0.00 0.00 41.96 40.88 1vle s TYR 480 CO 0.14 0.04 0.08 -1.83 -1.11 0.00 0.00 175.55 172.87 1vle s GLU 481 N -3.79 0.63 -0.05 -0.62 -1.05 -1.26 -1.50 118.70 111.04 1vle s GLU 481 Ca 0.23 -0.91 0.01 0.00 -0.15 0.00 0.00 54.97 54.15 1vle s GLU 481 Cb 0.04 0.24 0.02 0.00 -0.44 0.00 0.00 34.13 33.99 1vle s GLU 481 CO 0.05 -0.16 -0.07 -0.47 0.95 0.00 0.00 175.26 175.56 1vle s TYR 482 N -3.13 1.02 0.50 4.83 5.04 0.19 -2.73 117.35 123.07 1vle s TYR 482 Ca -0.01 -0.34 -0.20 0.00 -2.44 0.00 0.00 57.07 54.09 1vle s TYR 482 Cb 0.02 -0.82 -0.08 0.00 0.35 0.00 0.00 41.96 41.43 1vle s TYR 482 CO -0.07 -0.23 1.06 -1.25 -1.34 0.00 0.00 175.55 173.72 1vle s PRO 483 N 0.85 3.69 0.48 4.97 0.04 -1.26 -1.79 135.00 141.98 1vle s PRO 483 Ca -0.12 1.42 -0.23 0.00 0.04 0.00 0.00 61.00 62.11 1vle s PRO 483 Cb -0.15 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 1vle s PRO 483 CO 0.01 -0.53 1.22 0.00 0.04 0.00 0.00 177.00 177.74 1vle s ALA 484 N -1.94 2.94 -0.28 8.56 0.00 -1.10 -4.86 121.76 125.07 1vle s ALA 484 Ca 0.68 1.06 -0.42 0.00 0.00 0.00 0.00 51.96 53.28 1vle s ALA 484 Cb -0.18 -3.44 -0.18 0.00 0.00 0.00 0.00 23.12 19.33 1vle s ALA 484 CO 0.22 -0.86 1.57 -2.30 0.00 0.00 0.00 175.76 174.39 1vle n PRO 485 N -0.61 0.63 0.00 0.00 -0.02 -1.26 -0.57 135.00 133.16 1vle n PRO 485 Ca 0.08 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1vle n PRO 485 Cb 0.47 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1vle n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vle n GLY 486 N 3.63 3.10 3.95 -1.23 0.00 -1.26 -5.02 105.19 108.36 1vle n GLY 486 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 1vle n GLY 486 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vle s TYR 487 N -1.53 3.01 0.22 1.61 1.51 0.26 -5.10 117.35 117.32 1vle s TYR 487 Ca 0.00 0.25 -0.00 0.00 -1.01 0.00 0.00 57.07 56.31 1vle s TYR 487 Cb 0.00 -2.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.03 1vle s TYR 487 CO 0.00 -0.90 0.41 0.45 -1.11 0.00 0.00 175.55 174.39 1vle s SER 488 N -4.39 6.38 0.83 2.29 0.15 -1.26 -4.65 113.70 113.05 1vle s SER 488 Ca 0.56 0.40 -0.11 0.00 0.70 0.00 0.00 55.95 57.49 1vle s SER 488 Cb -0.10 -2.01 0.09 0.00 -1.71 0.00 0.00 66.02 62.29 1vle s SER 488 CO 0.41 -0.07 1.10 -0.54 1.20 0.00 0.00 173.24 175.34 1vle s LYS 489 N -3.43 1.80 0.18 5.44 1.02 -1.26 -4.34 119.74 119.15 1vle s LYS 489 Ca 0.38 0.71 -0.30 0.00 0.02 0.00 0.00 55.97 56.78 1vle s LYS 489 Cb -0.11 -1.88 -0.08 0.00 -0.52 0.00 0.00 37.83 35.24 1vle s LYS 489 CO 0.29 -1.83 1.31 0.42 -0.92 0.00 0.00 175.35 174.62 1vle s ILE 490 N -3.08 3.28 0.00 2.17 -1.09 -1.26 -4.38 121.20 116.85 1vle s ILE 490 Ca 0.62 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 60.07 1vle s ILE 490 Cb -0.16 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1vle s ILE 490 CO 0.55 0.14 0.00 0.29 -1.23 0.00 0.00 174.94 174.69 1vle n LYS 491 N 2.86 3.43 -4.34 2.79 4.76 0.39 -4.71 118.16 123.34 1vle n LYS 491 Ca 0.07 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.31 1vle n LYS 491 Cb 0.43 -0.99 -0.13 0.00 -1.84 0.00 0.00 35.03 32.50 1vle n LYS 491 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1vle s MET 492 N -1.98 0.91 -0.20 1.97 1.75 -0.96 -0.63 119.30 120.16 1vle s MET 492 Ca 0.00 -0.75 -0.00 0.00 -1.25 0.00 0.00 55.69 53.69 1vle s MET 492 Cb 0.00 -0.91 0.05 0.00 2.84 0.00 0.00 34.83 36.81 1vle s MET 492 CO 0.00 0.22 -0.04 0.12 -0.65 0.00 0.00 175.02 174.67 1vle s PHE 493 N -0.86 1.95 -0.57 4.11 5.99 -0.01 0.29 117.98 128.87 1vle s PHE 493 Ca 0.01 -1.39 -0.16 0.00 0.00 0.00 0.00 56.93 55.39 1vle s PHE 493 Cb -0.08 -1.41 0.13 0.00 0.00 0.00 0.00 43.02 41.67 1vle s PHE 493 CO 0.01 -0.70 0.56 -0.46 -0.00 0.00 0.00 175.22 174.63 1vle s TRP 494 N 1.55 3.26 0.13 10.12 -0.11 0.98 -1.26 118.94 133.61 1vle s TRP 494 Ca -0.03 -1.30 -0.15 0.00 1.22 0.00 0.00 56.10 55.84 1vle s TRP 494 Cb -0.17 -3.84 -0.07 0.00 -1.50 0.00 0.00 33.47 27.89 1vle s TRP 494 CO -0.07 -1.06 0.55 0.15 -4.62 0.00 0.00 176.95 171.89 1vle s LYS 495 N 1.64 4.00 -0.30 5.86 1.02 0.17 -2.88 119.74 129.25 1vle s LYS 495 Ca 0.06 0.52 0.03 0.00 0.02 0.00 0.00 55.97 56.59 1vle s LYS 495 Cb -0.27 -2.98 0.08 0.00 -0.52 0.00 0.00 37.83 34.13 1vle s LYS 495 CO 0.02 0.51 -0.03 -0.47 -0.92 0.00 0.00 175.35 174.46 1vle s TYR 496 N -1.41 3.48 0.00 3.18 5.04 -0.95 -0.19 117.35 126.51 1vle s TYR 496 Ca 0.36 -2.58 0.00 0.00 -2.44 0.00 0.00 57.07 52.41 1vle s TYR 496 Cb -0.16 -2.37 0.00 0.00 0.35 0.00 0.00 41.96 39.78 1vle s TYR 496 CO 0.19 -0.91 0.00 0.41 -1.34 0.00 0.00 175.55 173.90 1vle n GLY 497 N 4.37 -1.02 2.71 8.97 0.00 -0.68 -4.11 105.19 115.44 1vle n GLY 497 Ca -0.06 -1.63 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 1vle n GLY 497 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vle n GLY 498 N -0.92 0.18 0.27 -0.02 0.00 -1.26 -4.81 105.19 98.63 1vle n GLY 498 Ca 0.00 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1vle n GLY 498 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vle n PRO 499 N 0.33 0.66 -0.01 1.61 -0.04 -1.26 -0.27 135.00 136.02 1vle n PRO 499 Ca 0.03 -0.53 0.23 0.00 -0.04 0.00 0.00 63.50 63.19 1vle n PRO 499 Cb 0.72 -1.49 0.72 0.00 -0.04 0.00 0.00 33.50 33.41 1vle n PRO 499 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vle h HIS 500 N 1.30 0.00 0.00 0.54 3.86 -1.95 -0.71 115.15 118.19 1vle h HIS 500 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1vle h HIS 500 Cb 0.63 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.10 1vle h HIS 500 CO 0.00 0.00 -0.01 -0.07 0.86 0.00 0.00 177.93 178.71 1vle h LEU 501 N 0.00 0.00 -0.89 2.43 3.38 -1.89 -2.13 115.31 116.21 1vle h LEU 501 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1vle h LEU 501 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1vle h LEU 501 CO -0.00 0.01 -0.02 0.61 0.09 0.00 0.00 178.44 179.13 1vle n GLY 502 N -0.46 -0.86 0.00 0.83 0.00 -0.32 -4.52 105.19 99.86 1vle n GLY 502 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1vle n GLY 502 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vle n THR 503 N -0.09 0.00 -0.78 2.61 -2.24 -0.94 -0.93 114.28 111.91 1vle n THR 503 Ca 0.01 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1vle n THR 503 Cb 0.06 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1vle n THR 503 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1vle n MET 504 N -1.21 3.79 -4.38 -0.78 2.81 -0.82 -4.96 117.12 111.57 1vle n MET 504 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.61 1vle n MET 504 Cb 0.02 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.41 1vle n MET 504 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1vle s THR 505 N 3.20 2.40 -0.90 2.03 -4.23 -1.26 -4.72 115.64 112.16 1vle s THR 505 Ca 0.00 -1.78 -0.02 0.00 -1.18 0.00 0.00 61.69 58.71 1vle s THR 505 Cb 0.00 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1vle s THR 505 CO 0.00 0.04 0.04 0.00 -0.54 0.00 0.00 174.62 174.16 1vle n ALA 506 N 0.73 -1.64 0.08 3.99 0.00 0.06 -4.71 120.51 119.02 1vle n ALA 506 Ca -0.16 -0.26 0.04 0.00 0.00 0.00 0.00 53.44 53.05 1vle n ALA 506 Cb 0.54 -0.58 0.20 0.00 0.00 0.00 0.00 19.45 19.61 1vle n ALA 506 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vle n THR 507 N -3.16 0.99 0.18 0.00 -2.24 -0.80 -2.91 114.28 106.34 1vle n THR 507 Ca -0.18 0.62 0.14 0.00 -2.27 0.00 0.00 64.05 62.36 1vle n THR 507 Cb 0.41 -1.62 0.73 0.00 -2.10 0.00 0.00 70.33 67.74 1vle n THR 507 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1vle h ASN 508 N 0.00 0.00 0.39 3.42 2.35 -1.84 -0.10 115.58 119.80 1vle h ASN 508 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1vle h ASN 508 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1vle h ASN 508 CO 0.00 0.00 -0.29 0.08 -1.65 0.00 0.00 177.43 175.57 1vle h ARG 509 N 0.00 0.00 -0.02 0.81 0.11 -1.84 -1.96 114.38 111.48 1vle h ARG 509 Ca 0.09 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.07 1vle h ARG 509 Cb 0.38 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 1vle h ARG 509 CO -0.00 0.29 -0.42 1.88 0.10 0.00 0.00 179.97 181.82 1vle h TYR 510 N 0.00 0.06 -0.07 4.08 -1.99 -1.26 -1.93 116.97 115.87 1vle h TYR 510 Ca -0.00 -0.02 -0.24 0.00 2.00 0.00 0.00 58.73 60.48 1vle h TYR 510 Cb 0.57 -0.01 0.01 0.00 2.00 0.00 0.00 36.73 39.29 1vle h TYR 510 CO 0.00 0.47 -0.89 0.00 -0.00 0.00 0.00 178.16 177.73 1vle h ALA 511 N 1.53 0.29 -0.47 3.88 0.00 -1.37 -3.31 119.26 119.81 1vle h ALA 511 Ca 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.18 1vle h ALA 511 Cb 0.76 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1vle h ALA 511 CO 0.06 0.71 -0.04 0.87 0.00 0.00 0.00 179.25 180.85 1vle h LYS 512 N 0.41 0.81 -0.47 0.00 1.57 -1.03 -3.25 116.57 114.62 1vle h LYS 512 Ca -0.08 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1vle h LYS 512 Cb 1.52 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.73 1vle h LYS 512 CO 0.17 0.85 0.27 0.00 -0.57 0.00 0.00 179.45 180.17 1vle h MET 513 N 0.75 0.64 -0.47 3.15 -0.00 -1.44 -3.07 114.93 114.49 1vle h MET 513 Ca 0.14 -0.05 0.13 0.00 -0.00 0.00 0.00 59.70 59.92 1vle h MET 513 Cb 0.51 -0.14 -0.02 0.00 -0.00 0.00 0.00 31.60 31.96 1vle h MET 513 CO 0.03 0.46 0.34 1.88 -0.00 0.00 0.00 176.91 179.61 1vle h TYR 514 N 0.65 0.02 -0.11 -0.10 -1.99 -1.70 -1.67 116.97 112.06 1vle h TYR 514 Ca 0.17 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.90 1vle h TYR 514 Cb -0.00 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.72 1vle h TYR 514 CO 0.00 0.01 0.00 0.25 -0.00 0.00 0.00 178.16 178.42 1vle n THR 515 N -4.40 0.12 -2.00 -2.88 -2.24 -1.16 -4.84 114.28 96.88 1vle n THR 515 Ca 0.08 -0.36 -0.41 0.00 -2.27 0.00 0.00 64.05 61.09 1vle n THR 515 Cb 0.54 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 1vle n THR 515 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1vle s HIS 516 N -1.88 2.99 -1.34 4.78 5.04 -0.63 -3.79 115.29 120.46 1vle s HIS 516 Ca 0.35 1.05 0.14 0.00 -1.54 0.00 0.00 55.06 55.05 1vle s HIS 516 Cb 0.20 -3.83 0.68 0.00 0.04 0.00 0.00 32.58 29.67 1vle s HIS 516 CO 0.30 -2.66 1.38 -0.40 -2.34 0.00 0.00 174.74 171.02 1vle n ASP 517 N 2.16 0.00 0.21 9.88 3.85 -1.26 -2.10 116.55 129.29 1vle n ASP 517 Ca 0.06 0.17 0.11 0.00 -0.71 0.00 0.00 54.79 54.42 1vle n ASP 517 Cb 0.40 -0.33 0.15 0.00 -1.35 0.00 0.00 41.12 39.99 1vle n ASP 517 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1vle h SER 518 N 0.00 0.00 -1.83 -1.12 4.64 -1.90 -3.40 113.55 109.94 1vle h SER 518 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1vle h SER 518 Cb 0.15 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.13 1vle h SER 518 CO 0.00 0.05 1.16 -0.76 -0.87 0.00 0.00 176.83 176.40 1vle s LEU 519 N -6.20 3.82 0.35 5.97 1.43 -0.89 -4.52 118.68 118.64 1vle s LEU 519 Ca 0.06 -1.28 0.17 0.00 -1.03 0.00 0.00 54.13 52.06 1vle s LEU 519 Cb 0.05 -2.52 0.55 0.00 0.03 0.00 0.00 46.19 44.31 1vle s LEU 519 CO 0.68 -1.49 1.67 -0.33 0.23 0.00 0.00 176.35 177.11 1vle h GLU 520 N 9.64 0.00 -2.56 1.70 5.08 -1.10 -3.46 114.58 123.88 1vle h GLU 520 Ca 0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1vle h GLU 520 Cb 1.03 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.06 1vle h GLU 520 CO 1.30 0.43 -0.11 0.12 -1.00 0.00 0.00 179.01 179.75 1vle s PHE 521 N -3.50 -0.49 -0.03 4.33 5.36 -1.09 -5.03 117.98 117.54 1vle s PHE 521 Ca 0.01 1.09 -0.01 0.00 -0.96 0.00 0.00 56.93 57.05 1vle s PHE 521 Cb 0.11 0.20 0.03 0.00 -0.34 0.00 0.00 43.02 43.02 1vle s PHE 521 CO 0.70 -0.34 0.05 0.08 -1.46 0.00 0.00 175.22 174.25 1vle s VAL 522 N -0.28 -0.08 -0.00 3.12 1.01 -1.26 -0.83 120.40 122.08 1vle s VAL 522 Ca -0.04 0.33 0.08 0.00 0.00 0.00 0.00 61.98 62.35 1vle s VAL 522 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 1vle s VAL 522 CO 0.03 0.14 -0.26 -0.69 0.00 0.00 0.00 175.10 174.32 1vle s VAL 523 N 1.69 2.03 -0.17 2.92 1.01 -0.39 -0.79 120.40 126.70 1vle s VAL 523 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1vle s VAL 523 Cb -0.12 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.59 1vle s VAL 523 CO -0.03 0.51 -0.10 -0.55 0.00 0.00 0.00 175.10 174.93 1vle s SER 524 N -0.78 3.03 -0.61 3.32 0.15 0.09 0.43 113.70 119.33 1vle s SER 524 Ca 0.10 -0.71 -0.10 0.00 0.70 0.00 0.00 55.95 55.94 1vle s SER 524 Cb -0.10 -1.11 0.16 0.00 -1.71 0.00 0.00 66.02 63.25 1vle s SER 524 CO -0.00 -0.14 0.50 -1.58 1.20 0.00 0.00 173.24 173.22 1vle s GLN 525 N 1.50 2.87 0.27 5.44 0.74 0.74 -0.37 119.66 130.84 1vle s GLN 525 Ca 0.01 -2.09 0.03 0.00 0.05 0.00 0.00 55.36 53.36 1vle s GLN 525 Cb -0.15 -4.08 -0.04 0.00 1.10 0.00 0.00 33.01 29.85 1vle s GLN 525 CO -0.09 -1.24 0.19 -1.12 -0.55 0.00 0.00 175.29 172.48 1vle s SER 526 N 2.29 1.05 -0.24 6.67 0.01 -0.93 -1.68 113.70 120.86 1vle s SER 526 Ca 0.11 -1.56 -0.16 0.00 1.31 0.00 0.00 55.95 55.65 1vle s SER 526 Cb -0.21 0.43 -0.16 0.00 0.21 0.00 0.00 66.02 66.30 1vle s SER 526 CO -0.03 -0.92 -0.09 -0.38 0.41 0.00 0.00 173.24 172.22 1vle n ILE 527 N -0.47 1.54 -4.49 1.44 5.41 -1.26 -1.18 119.36 120.35 1vle n ILE 527 Ca 0.03 -0.25 -0.34 0.00 1.00 0.00 0.00 62.75 63.19 1vle n ILE 527 Cb 0.64 -1.93 -0.10 0.00 -0.71 0.00 0.00 39.64 37.55 1vle n ILE 527 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1vle s TRP 528 N -2.45 3.06 -0.96 1.39 0.51 -1.26 -1.68 118.94 117.54 1vle s TRP 528 Ca -0.34 0.11 -0.23 0.00 -2.12 0.00 0.00 56.10 53.52 1vle s TRP 528 Cb 0.11 -1.75 0.05 0.00 -0.81 0.00 0.00 33.47 31.06 1vle s TRP 528 CO 0.55 0.40 1.40 0.12 -0.51 0.00 0.00 176.95 178.91 1vle s PHE 529 N -0.84 2.52 0.35 -1.98 5.36 0.16 -4.82 117.98 118.74 1vle s PHE 529 Ca 0.13 -0.74 -0.15 0.00 -0.96 0.00 0.00 56.93 55.21 1vle s PHE 529 Cb -0.11 -4.66 0.06 0.00 -0.34 0.00 0.00 43.02 37.97 1vle s PHE 529 CO 0.02 -1.93 0.80 -0.85 -1.46 0.00 0.00 175.22 171.80 1vle n GLU 530 N 8.82 1.03 0.00 10.12 0.28 -1.26 -4.91 120.64 134.73 1vle n GLU 530 Ca 0.27 -2.05 0.00 0.00 -0.16 0.00 0.00 57.16 55.22 1vle n GLU 530 Cb 0.50 2.59 0.00 0.00 1.43 0.00 0.00 31.44 35.96 1vle n GLU 530 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vle n GLY 531 N -0.55 2.83 0.09 -1.84 0.00 -1.16 -1.24 105.19 103.32 1vle n GLY 531 Ca -0.08 0.31 0.13 0.00 0.00 0.00 0.00 46.02 46.38 1vle n GLY 531 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vle n GLU 532 N 11.14 0.26 -0.32 1.61 1.02 0.63 -4.26 120.64 130.72 1vle n GLU 532 Ca 0.00 0.17 0.15 0.00 -0.02 0.00 0.00 57.16 57.46 1vle n GLU 532 Cb 0.00 -1.76 0.34 0.00 -0.02 0.00 0.00 31.44 29.99 1vle n GLU 532 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1vle h VAL 533 N 0.00 0.52 0.00 2.62 2.07 -1.37 -1.39 116.25 118.70 1vle h VAL 533 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1vle h VAL 533 Cb 0.73 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1vle h VAL 533 CO 0.00 0.09 0.00 -2.65 0.02 0.00 0.00 177.57 175.03 1vle n PRO 534 N -4.97 0.57 0.00 1.57 -0.02 -1.26 -2.21 135.00 128.68 1vle n PRO 534 Ca 0.24 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.78 1vle n PRO 534 Cb 0.68 -1.09 -0.04 0.00 -0.02 0.00 0.00 33.50 33.02 1vle n PRO 534 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1vle n PHE 535 N -0.26 0.00 -1.81 6.00 3.01 -0.52 -3.38 117.46 120.49 1vle n PHE 535 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 1vle n PHE 535 Cb 0.05 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.54 1vle n PHE 535 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1vle s ALA 536 N -1.92 2.91 -0.08 4.37 0.00 -0.94 -4.54 121.76 121.58 1vle s ALA 536 Ca 0.07 0.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.06 1vle s ALA 536 Cb 0.09 -3.13 -0.26 0.00 0.00 0.00 0.00 23.12 19.83 1vle s ALA 536 CO 0.42 -0.86 0.54 -0.44 0.00 0.00 0.00 175.76 175.42 1vle h ASP 537 N -0.31 0.28 -3.56 0.00 3.32 -1.31 -3.41 116.42 111.43 1vle h ASP 537 Ca -0.44 -0.59 -0.41 0.00 0.02 0.00 0.00 57.03 55.61 1vle h ASP 537 Cb 1.20 -0.09 -0.33 0.00 0.22 0.00 0.00 39.33 40.33 1vle h ASP 537 CO 0.60 1.53 -0.78 -0.63 -1.72 0.00 0.00 179.24 178.24 1vle s ILE 538 N -2.58 0.60 -0.09 0.35 -1.09 -0.94 -0.41 121.20 117.04 1vle s ILE 538 Ca -0.15 -0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.13 1vle s ILE 538 Cb 0.07 -0.59 -0.01 0.00 -1.58 0.00 0.00 42.46 40.36 1vle s ILE 538 CO 0.80 0.22 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.87 1vle s ILE 539 N 0.66 2.17 -0.19 2.92 1.01 0.48 -0.73 121.20 127.52 1vle s ILE 539 Ca -0.09 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 1vle s ILE 539 Cb -0.12 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 40.53 1vle s ILE 539 CO 0.00 0.56 -0.14 -0.76 0.00 0.00 0.00 174.94 174.61 1vle s LEU 540 N 0.15 2.44 -0.30 2.97 1.43 0.50 -1.55 118.68 124.31 1vle s LEU 540 Ca -0.13 -0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 52.15 1vle s LEU 540 Cb -0.16 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 1vle s LEU 540 CO 0.07 0.00 1.62 -2.84 0.23 0.00 0.00 176.35 175.43 1vle s PRO 541 N 1.29 3.60 0.22 1.29 0.02 -1.26 -2.18 135.00 137.98 1vle s PRO 541 Ca 0.04 1.40 0.05 0.00 0.02 0.00 0.00 61.00 62.52 1vle s PRO 541 Cb -0.14 -4.08 -0.03 0.00 0.02 0.00 0.00 34.50 30.27 1vle s PRO 541 CO -0.08 -1.53 0.26 0.00 -0.33 0.00 0.00 177.00 175.32 1vle s ALA 542 N 5.78 3.77 0.35 -1.55 0.00 -0.33 -1.54 121.76 128.24 1vle s ALA 542 Ca 0.71 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 51.50 1vle s ALA 542 Cb -0.21 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 1vle s ALA 542 CO 0.31 0.33 0.22 0.00 0.00 0.00 0.00 175.76 176.62 1vle s THR 544 N -2.39 1.99 -1.20 0.00 -4.23 -1.26 -4.81 115.64 103.73 1vle s THR 544 Ca 0.40 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.06 1vle s THR 544 Cb -0.03 -2.94 0.19 0.00 1.34 0.00 0.00 72.50 71.06 1vle s THR 544 CO 0.25 0.00 1.46 -0.46 -0.54 0.00 0.00 174.62 175.33 1vle n ASN 545 N -3.56 0.00 -0.31 3.99 6.94 -1.26 -2.07 115.26 118.98 1vle n ASN 545 Ca 0.10 0.30 0.15 0.00 -0.02 0.00 0.00 54.58 55.10 1vle n ASN 545 Cb 0.60 -0.40 0.64 0.00 -2.36 0.00 0.00 39.78 38.27 1vle n ASN 545 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1vle n PHE 546 N -1.40 0.00 -0.66 -2.53 3.01 -1.26 -3.58 117.46 111.04 1vle n PHE 546 Ca 0.05 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.58 1vle n PHE 546 Cb 0.15 -0.02 0.14 0.00 -0.01 0.00 0.00 39.48 39.74 1vle n PHE 546 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1vle n GLU 547 N -0.26 2.34 -3.94 -1.08 1.02 -0.88 -1.60 120.64 116.24 1vle n GLU 547 Ca 0.20 -2.30 -0.09 0.00 -0.02 0.00 0.00 57.16 54.94 1vle n GLU 547 Cb 0.28 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 1vle n GLU 547 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1vle s ARG 548 N -2.12 1.78 -0.10 3.49 1.70 -1.23 -4.29 118.95 118.17 1vle s ARG 548 Ca 0.25 -1.29 -0.12 0.00 -0.47 0.00 0.00 55.73 54.11 1vle s ARG 548 Cb 0.20 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 35.06 1vle s ARG 548 CO 0.06 -0.78 0.29 -1.58 -1.08 0.00 0.00 175.30 172.20 1vle s TRP 549 N -3.57 3.58 0.37 5.89 0.52 -1.26 -3.21 118.94 121.25 1vle s TRP 549 Ca 0.19 0.70 -0.14 0.00 0.02 0.00 0.00 56.10 56.87 1vle s TRP 549 Cb -0.03 -2.22 0.05 0.00 -1.15 0.00 0.00 33.47 30.12 1vle s TRP 549 CO 0.10 0.49 0.73 -3.47 0.02 0.00 0.00 176.95 174.82 1vle n ASP 550 N 2.65 -2.12 -3.83 2.95 -0.08 -0.81 -4.68 116.55 110.63 1vle n ASP 550 Ca -0.15 -2.48 -0.12 0.00 -1.51 0.00 0.00 54.79 50.54 1vle n ASP 550 Cb 0.53 3.53 -0.10 0.00 2.34 0.00 0.00 41.12 47.42 1vle n ASP 550 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1vle s ILE 551 N -2.18 0.06 0.24 5.18 2.07 -1.26 -0.40 121.20 124.91 1vle s ILE 551 Ca 0.15 -0.47 -0.20 0.00 -1.41 0.00 0.00 60.65 58.71 1vle s ILE 551 Cb -0.05 -0.43 0.07 0.00 0.13 0.00 0.00 42.46 42.18 1vle s ILE 551 CO 0.11 -0.26 0.96 -0.94 -1.91 0.00 0.00 174.94 172.90 1vle s SER 552 N -0.98 -0.01 -0.02 4.50 1.04 -0.97 -1.55 113.70 115.71 1vle s SER 552 Ca -0.11 -0.79 0.04 0.00 0.48 0.00 0.00 55.95 55.57 1vle s SER 552 Cb -0.06 0.60 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 1vle s SER 552 CO 0.02 -1.19 -0.12 -0.70 0.98 0.00 0.00 173.24 172.22 1vle s GLU 553 N -2.32 1.16 -0.47 4.02 2.12 -1.26 -1.18 118.70 120.77 1vle s GLU 553 Ca 0.19 -0.44 -0.43 0.00 0.36 0.00 0.00 54.97 54.65 1vle s GLU 553 Cb -0.03 -1.08 -0.18 0.00 0.26 0.00 0.00 34.13 33.10 1vle s GLU 553 CO 0.07 0.22 2.02 0.34 -0.54 0.00 0.00 175.26 177.37 1vle n PHE 554 N 3.00 1.38 -1.28 5.30 -0.00 0.41 -0.66 117.46 125.60 1vle n PHE 554 Ca -0.16 0.77 -0.12 0.00 -0.00 0.00 0.00 57.45 57.94 1vle n PHE 554 Cb 0.55 -2.32 -0.05 0.00 -0.00 0.00 0.00 39.48 37.66 1vle n PHE 554 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1vle n ALA 555 N 6.99 -0.18 -2.54 3.13 0.00 -1.25 -4.72 120.51 121.94 1vle n ALA 555 Ca 0.47 0.19 -0.41 0.00 0.00 0.00 0.00 53.44 53.69 1vle n ALA 555 Cb -0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 1vle n ALA 555 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1vle s ASN 556 N -2.21 6.22 -0.25 0.00 3.84 0.17 -4.34 114.94 118.37 1vle s ASN 556 Ca 0.00 -0.25 -0.16 0.00 0.21 0.00 0.00 52.86 52.66 1vle s ASN 556 Cb 0.00 -2.56 -0.13 0.00 -0.55 0.00 0.00 41.25 38.01 1vle s ASN 556 CO 0.00 -1.75 -0.19 0.00 -2.79 0.00 0.00 177.10 172.37 1vle n SER 558 N -4.33 -0.42 0.00 0.00 2.88 -1.14 -1.92 113.62 108.70 1vle n SER 558 Ca -0.45 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 1vle n SER 558 Cb 0.79 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 1vle n SER 558 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vle n GLY 559 N 0.00 3.48 0.00 0.46 0.00 -1.26 -1.31 105.19 106.55 1vle n GLY 559 Ca 0.00 0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1vle n GLY 559 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vle n TYR 560 N 10.08 0.00 -3.22 1.61 0.53 -1.26 -3.14 117.16 121.76 1vle n TYR 560 Ca 0.00 0.00 -0.24 0.00 -1.02 0.00 0.00 57.90 56.64 1vle n TYR 560 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.24 1vle n TYR 560 CO 0.00 0.00 0.00 -0.89 -1.02 0.00 0.00 176.86 174.95 1vle n ILE 561 N -0.86 -0.50 -1.64 -0.72 5.41 -0.43 -4.19 119.36 116.44 1vle n ILE 561 Ca 0.11 -4.07 -0.48 0.00 1.00 0.00 0.00 62.75 59.31 1vle n ILE 561 Cb 0.05 -1.95 -0.05 0.00 -0.71 0.00 0.00 39.64 36.98 1vle n ILE 561 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1vle n PRO 562 N 1.45 1.73 -3.89 0.38 -0.02 -1.19 -2.67 135.00 130.80 1vle n PRO 562 Ca 0.22 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 62.03 1vle n PRO 562 Cb 0.52 -2.32 0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1vle n PRO 562 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1vle n ASP 563 N 2.90 -4.94 0.00 2.55 8.00 -1.26 -4.86 116.55 118.94 1vle n ASP 563 Ca 0.17 -0.76 0.06 0.00 0.71 0.00 0.00 54.79 54.97 1vle n ASP 563 Cb 0.25 -3.99 0.36 0.00 -0.02 0.00 0.00 41.12 37.73 1vle n ASP 563 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1vle n ASN 564 N -2.85 0.00 0.07 -2.24 2.04 -1.09 -2.70 115.26 108.49 1vle n ASN 564 Ca 0.04 -1.23 0.10 0.00 -0.44 0.00 0.00 54.58 53.04 1vle n ASN 564 Cb 0.53 0.00 0.41 0.00 -2.53 0.00 0.00 39.78 38.19 1vle n ASN 564 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1vle n TYR 565 N -0.74 0.44 0.84 -2.53 4.11 -1.26 -2.13 117.16 115.91 1vle n TYR 565 Ca 0.09 0.18 0.05 0.00 -0.00 0.00 0.00 57.90 58.22 1vle n TYR 565 Cb 0.04 -0.78 0.32 0.00 -0.00 0.00 0.00 39.34 38.92 1vle n TYR 565 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1vle n GLN 566 N -1.91 0.42 0.23 -3.48 10.64 -1.10 -1.51 117.38 120.67 1vle n GLN 566 Ca 0.03 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.32 1vle n GLN 566 Cb 0.20 -1.40 0.25 0.00 -0.86 0.00 0.00 30.24 28.43 1vle n GLN 566 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1vle h LEU 567 N 0.00 0.00-10.18 2.61 3.38 -1.57 -3.14 115.31 106.41 1vle h LEU 567 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1vle h LEU 567 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1vle h LEU 567 CO 0.00 0.01 -0.39 0.00 0.09 0.00 0.00 178.44 178.15 1vle h ASN 569 N 1.20 0.00 -5.07 0.00 2.35 -1.86 -3.46 115.58 108.74 1vle h ASN 569 Ca -0.51 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.14 1vle h ASN 569 Cb 1.22 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.43 1vle h ASN 569 CO 0.62 0.00 -0.29 -1.00 -1.65 0.00 0.00 177.43 175.11 1vle s HIS 570 N -3.31 -0.04 -0.38 1.19 3.76 -1.26 -4.86 115.29 110.38 1vle s HIS 570 Ca 0.06 -0.14 -0.20 0.00 -0.15 0.00 0.00 55.06 54.63 1vle s HIS 570 Cb 0.09 0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.84 1vle s HIS 570 CO 0.54 -0.49 0.60 1.03 -0.85 0.00 0.00 174.74 175.57 1vle s ARG 571 N -2.70 3.51 -0.23 1.40 0.52 -1.26 -4.95 118.95 115.25 1vle s ARG 571 Ca -0.04 -0.17 -0.00 0.00 -0.52 0.00 0.00 55.73 54.99 1vle s ARG 571 Cb -0.00 -3.86 0.03 0.00 0.52 0.00 0.00 34.95 31.63 1vle s ARG 571 CO -0.04 -0.80 -0.11 0.08 0.02 0.00 0.00 175.30 174.44 1vle s VAL 572 N 2.64 2.56 -0.23 3.52 1.01 -1.26 -0.84 120.40 127.80 1vle s VAL 572 Ca 0.22 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1vle s VAL 572 Cb -0.15 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1vle s VAL 572 CO 0.16 0.28 0.07 -0.63 0.00 0.00 0.00 175.10 174.99 1vle s ILE 573 N 1.29 4.52 0.10 2.22 1.01 0.02 -0.45 121.20 129.91 1vle s ILE 573 Ca 0.01 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.58 1vle s ILE 573 Cb -0.16 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1vle s ILE 573 CO -0.07 0.37 -0.10 -0.94 0.00 0.00 0.00 174.94 174.20 1vle s SER 574 N 1.23 1.42 -0.00 3.58 1.04 -0.32 0.74 113.70 121.39 1vle s SER 574 Ca 0.05 -0.83 -0.23 0.00 0.48 0.00 0.00 55.95 55.42 1vle s SER 574 Cb -0.14 0.02 -0.05 0.00 0.10 0.00 0.00 66.02 65.94 1vle s SER 574 CO 0.04 -0.28 0.67 -0.22 0.98 0.00 0.00 173.24 174.43 1vle s LEU 575 N -2.51 4.40 -1.03 2.42 2.96 0.22 -2.28 118.68 122.87 1vle s LEU 575 Ca 0.06 1.26 -0.12 0.00 -0.22 0.00 0.00 54.13 55.11 1vle s LEU 575 Cb -0.02 -3.06 0.24 0.00 0.50 0.00 0.00 46.19 43.85 1vle s LEU 575 CO -0.00 0.02 1.05 -1.10 -1.32 0.00 0.00 176.35 175.00 1vle s GLN 576 N 0.10 3.97 0.39 1.98 -0.21 0.47 -3.49 119.66 122.87 1vle s GLN 576 Ca 0.35 -2.81 -0.27 0.00 0.02 0.00 0.00 55.36 52.64 1vle s GLN 576 Cb -0.19 -4.61 -0.10 0.00 1.00 0.00 0.00 33.01 29.12 1vle s GLN 576 CO 0.19 -1.36 1.40 0.00 -2.12 0.00 0.00 175.29 173.40 1vle s ALA 577 N -0.21 3.43 -0.54 6.09 0.00 -0.62 -1.92 121.76 127.99 1vle s ALA 577 Ca 0.28 1.42 -0.27 0.00 0.00 0.00 0.00 51.96 53.39 1vle s ALA 577 Cb -0.09 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1vle s ALA 577 CO -0.07 -0.96 1.77 0.21 0.00 0.00 0.00 175.76 176.71 1vle s LYS 578 N -2.14 2.91 0.16 0.00 2.20 -1.20 -4.74 119.74 116.93 1vle s LYS 578 Ca 0.54 0.78 0.01 0.00 -0.36 0.00 0.00 55.97 56.94 1vle s LYS 578 Cb -0.43 -4.30 -0.03 0.00 -1.51 0.00 0.00 37.83 31.57 1vle s LYS 578 CO 0.57 -2.39 1.36 0.00 -0.36 0.00 0.00 175.35 174.53 1vle s ILE 580 N -3.24 0.04 0.53 0.00 -4.36 -1.03 -4.83 121.20 108.32 1vle s ILE 580 Ca -0.04 -1.40 -0.19 0.00 -0.26 0.00 0.00 60.65 58.77 1vle s ILE 580 Cb 0.10 -1.96 -0.06 0.00 1.25 0.00 0.00 42.46 41.79 1vle s ILE 580 CO 0.84 -0.19 1.07 -1.61 0.24 0.00 0.00 174.94 175.28 1vle s GLU 581 N -3.99 3.53 0.25 0.37 0.41 -1.26 -4.29 118.70 113.73 1vle s GLU 581 Ca 0.19 1.39 -0.30 0.00 -0.41 0.00 0.00 54.97 55.85 1vle s GLU 581 Cb 0.02 -2.05 -0.14 0.00 -1.78 0.00 0.00 34.13 30.18 1vle s GLU 581 CO 0.03 -0.66 1.10 -2.30 -0.49 0.00 0.00 175.26 172.94 1vle n PRO 582 N -1.36 1.39 -2.44 0.39 -0.02 -1.26 -4.90 135.00 126.80 1vle n PRO 582 Ca 0.10 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 1vle n PRO 582 Cb 0.52 -1.93 -0.04 0.00 -0.02 0.00 0.00 33.50 32.03 1vle n PRO 582 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1vle s VAL 583 N -0.70 3.54 0.00 -1.45 1.01 -1.26 -4.76 120.40 116.78 1vle s VAL 583 Ca 0.64 1.44 0.00 0.00 0.00 0.00 0.00 61.98 64.05 1vle s VAL 583 Cb -0.73 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1vle s VAL 583 CO 0.57 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.57 1vle n GLY 584 N 1.60 2.82 1.84 4.51 0.00 -1.26 -2.45 105.19 112.26 1vle n GLY 584 Ca 0.01 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 1vle n GLY 584 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vle n GLU 585 N 12.97 2.20 -2.66 1.61 2.13 0.38 -4.99 120.64 132.28 1vle n GLU 585 Ca 0.00 -3.16 -0.28 0.00 0.66 0.00 0.00 57.16 54.38 1vle n GLU 585 Cb 0.00 -2.06 -0.01 0.00 0.27 0.00 0.00 31.44 29.64 1vle n GLU 585 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1vle s SER 586 N -1.92 6.34 0.11 4.31 1.04 -1.02 -4.72 113.70 117.83 1vle s SER 586 Ca 0.53 1.01 -0.04 0.00 0.48 0.00 0.00 55.95 57.94 1vle s SER 586 Cb 0.45 -2.28 -0.03 0.00 0.10 0.00 0.00 66.02 64.27 1vle s SER 586 CO 0.05 -0.54 0.10 0.00 0.98 0.00 0.00 173.24 173.83 1vle s MET 587 N -4.50 0.87 0.60 4.02 0.23 -0.59 -4.67 119.30 115.26 1vle s MET 587 Ca 0.49 -1.24 -0.19 0.00 -1.03 0.00 0.00 55.69 53.72 1vle s MET 587 Cb -0.10 0.28 -0.03 0.00 -1.53 0.00 0.00 34.83 33.44 1vle s MET 587 CO 0.41 -0.25 1.26 -1.54 -2.03 0.00 0.00 175.02 172.87 1vle s SER 588 N -2.96 5.00 0.39 -1.18 1.04 -1.26 -2.20 113.70 112.52 1vle s SER 588 Ca 0.15 2.53 0.10 0.00 0.48 0.00 0.00 55.95 59.20 1vle s SER 588 Cb 0.06 -2.61 0.87 0.00 0.10 0.00 0.00 66.02 64.45 1vle s SER 588 CO -0.04 -1.73 1.93 0.44 0.98 0.00 0.00 173.24 174.82 1vle h ASP 589 N 0.86 0.55 -0.27 7.02 3.32 -1.93 -0.31 116.42 125.66 1vle h ASP 589 Ca -0.51 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.52 1vle h ASP 589 Cb 1.31 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1vle h ASP 589 CO 0.55 0.32 0.02 0.22 -1.72 0.00 0.00 179.24 178.63 1vle h TYR 590 N 0.61 0.51 -0.16 4.55 5.03 -1.93 -0.96 116.97 124.62 1vle h TYR 590 Ca 0.35 -0.08 -0.07 0.00 2.58 0.00 0.00 58.73 61.51 1vle h TYR 590 Cb 0.55 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 1vle h TYR 590 CO -0.00 0.61 -0.22 0.93 -1.32 0.00 0.00 178.16 178.15 1vle h GLU 591 N 0.27 0.28 -0.05 1.82 4.39 -1.71 0.20 114.58 119.78 1vle h GLU 591 Ca 0.08 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1vle h GLU 591 Cb 0.39 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1vle h GLU 591 CO 0.01 0.50 0.01 0.82 -1.16 0.00 0.00 179.01 179.19 1vle h ILE 592 N 0.26 1.18 -0.46 3.13 2.04 -0.83 -1.28 117.51 121.56 1vle h ILE 592 Ca 0.04 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 1vle h ILE 592 Cb 0.54 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1vle h ILE 592 CO 0.04 0.15 0.02 1.88 0.00 0.00 0.00 178.15 180.24 1vle h TYR 593 N -0.13 0.78 -0.74 1.37 0.99 -0.84 -1.70 116.97 116.70 1vle h TYR 593 Ca 0.02 -0.10 -0.03 0.00 2.00 0.00 0.00 58.73 60.62 1vle h TYR 593 Cb 0.23 -0.22 -0.03 0.00 1.00 0.00 0.00 36.73 37.71 1vle h TYR 593 CO 0.00 0.72 0.33 -0.09 -0.00 0.00 0.00 178.16 179.12 1vle h ARG 594 N 0.70 1.07 -0.33 4.88 2.43 -0.40 0.28 114.38 123.02 1vle h ARG 594 Ca 0.14 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1vle h ARG 594 Cb 0.40 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1vle h ARG 594 CO 0.01 0.84 0.11 1.25 -1.51 0.00 0.00 179.97 180.68 1vle h LEU 595 N 1.05 0.46 -0.75 3.80 5.85 -0.70 -1.08 115.31 123.95 1vle h LEU 595 Ca 0.25 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1vle h LEU 595 Cb 0.14 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1vle h LEU 595 CO -0.03 0.53 0.37 -0.26 -0.34 0.00 0.00 178.44 178.71 1vle h PHE 596 N 0.37 1.07 -0.98 1.25 -1.00 -0.65 -2.20 116.94 114.80 1vle h PHE 596 Ca 0.11 -0.05 0.02 0.00 2.81 0.00 0.00 57.97 60.86 1vle h PHE 596 Cb 0.22 -0.33 -0.05 0.00 3.61 0.00 0.00 35.95 39.40 1vle h PHE 596 CO 0.00 0.78 0.65 0.00 -1.61 0.00 0.00 178.31 178.13 1vle h ALA 597 N 1.19 1.32 0.10 2.45 0.00 -0.14 0.18 119.26 124.35 1vle h ALA 597 Ca 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1vle h ALA 597 Cb 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1vle h ALA 597 CO -0.03 0.62 -0.05 -0.22 0.00 0.00 0.00 179.25 179.57 1vle h LYS 598 N 1.30 -0.13 0.00 0.00 3.64 -0.71 0.75 116.57 121.42 1vle h LYS 598 Ca 0.37 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1vle h LYS 598 Cb -0.11 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1vle h LYS 598 CO -0.09 0.02 0.00 1.63 -2.27 0.00 0.00 179.45 178.74 1vle n LYS 599 N -5.09 0.01 -0.09 1.90 5.02 -0.87 -1.79 118.16 117.25 1vle n LYS 599 Ca -0.08 0.23 0.10 0.00 -2.02 0.00 0.00 58.31 56.54 1vle n LYS 599 Cb 0.13 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.77 1vle n LYS 599 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1vle n LEU 600 N -1.49 2.91 -1.91 -0.35 4.77 0.58 -4.97 117.00 116.54 1vle n LEU 600 Ca 0.04 -1.27 -0.15 0.00 -0.03 0.00 0.00 56.01 54.60 1vle n LEU 600 Cb 0.18 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1vle n LEU 600 CO 0.14 0.58 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.49 1vle n ASN 601 N 1.16 -4.57 -0.30 -1.43 5.15 -0.63 -4.90 115.26 109.74 1vle n ASN 601 Ca 0.14 -0.11 0.01 0.00 -0.60 0.00 0.00 54.58 54.02 1vle n ASN 601 Cb 0.51 -3.57 0.02 0.00 -0.53 0.00 0.00 39.78 36.20 1vle n ASN 601 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1vle n ILE 602 N -4.07 0.26 -0.20 -1.44 -5.35 0.16 -4.87 119.36 103.84 1vle n ILE 602 Ca -0.12 -0.30 0.15 0.00 -0.27 0.00 0.00 62.75 62.20 1vle n ILE 602 Cb 0.61 0.55 0.47 0.00 -1.74 0.00 0.00 39.64 39.52 1vle n ILE 602 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1vle h GLU 603 N 0.00 0.48 0.66 6.28 4.81 -1.63 -0.92 114.58 124.26 1vle h GLU 603 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1vle h GLU 603 Cb 1.21 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1vle h GLU 603 CO 0.00 0.32 -0.34 1.49 -0.73 0.00 0.00 179.01 179.74 1vle h GLU 604 N 0.49 -0.89 -0.35 1.92 4.57 -1.89 -0.83 114.58 117.61 1vle h GLU 604 Ca 0.40 0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.59 1vle h GLU 604 Cb 0.83 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 1vle h GLU 604 CO -0.15 -0.59 -0.01 0.52 -1.18 0.00 0.00 179.01 177.60 1vle h MET 605 N -0.92 0.54 0.23 1.92 2.86 -1.79 -1.18 114.93 116.59 1vle h MET 605 Ca -0.09 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1vle h MET 605 Cb 0.72 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1vle h MET 605 CO 0.13 0.58 -0.11 0.35 1.06 0.00 0.00 176.91 178.92 1vle h PHE 606 N 0.52 -0.29 0.00 -0.22 3.57 -1.08 -3.38 116.94 116.06 1vle h PHE 606 Ca 0.11 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 1vle h PHE 606 Cb 0.36 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1vle h PHE 606 CO 0.01 -0.03 -0.71 0.66 -2.23 0.00 0.00 178.31 176.01 1vle h SER 607 N -1.03 0.00 -3.96 0.41 4.64 -1.24 -3.48 113.55 108.89 1vle h SER 607 Ca -0.03 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.94 1vle h SER 607 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1vle h SER 607 CO 0.05 0.56 -0.48 -0.62 -0.87 0.00 0.00 176.83 175.47 1vle n GLU 608 N -3.17 -2.80 -1.71 4.77 1.02 -0.45 -1.25 120.64 117.04 1vle n GLU 608 Ca -0.00 0.77 -0.14 0.00 -0.02 0.00 0.00 57.16 57.77 1vle n GLU 608 Cb 0.77 -5.46 -0.04 0.00 -0.02 0.00 0.00 31.44 26.69 1vle n GLU 608 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vle n GLY 609 N -1.07 0.86 3.36 0.62 0.00 -1.26 -5.01 105.19 102.69 1vle n GLY 609 Ca -0.15 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1vle n GLY 609 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vle s LYS 610 N -3.72 1.72 0.58 1.61 1.02 -0.38 -5.10 119.74 115.47 1vle s LYS 610 Ca 0.00 -1.16 0.06 0.00 0.02 0.00 0.00 55.97 54.89 1vle s LYS 610 Cb 0.00 -1.97 0.10 0.00 -0.52 0.00 0.00 37.83 35.44 1vle s LYS 610 CO 0.00 0.50 0.80 -0.40 -0.92 0.00 0.00 175.35 175.33 1vle n ASP 611 N 1.56 1.70 -0.21 2.83 5.68 -1.26 -4.86 116.55 121.98 1vle n ASP 611 Ca -0.17 -2.29 -0.00 0.00 -0.50 0.00 0.00 54.79 51.83 1vle n ASP 611 Cb 0.52 -0.46 0.11 0.00 -1.14 0.00 0.00 41.12 40.15 1vle n ASP 611 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1vle h GLU 612 N 0.00 0.49 -0.52 0.11 5.08 -1.99 -1.81 114.58 115.94 1vle h GLU 612 Ca -0.27 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1vle h GLU 612 Cb 1.14 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1vle h GLU 612 CO 0.35 0.32 0.19 1.25 -1.00 0.00 0.00 179.01 180.12 1vle h LEU 613 N 0.50 0.69 -0.53 1.33 5.85 -1.95 -1.12 115.31 120.08 1vle h LEU 613 Ca 0.31 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 1vle h LEU 613 Cb 0.33 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1vle h LEU 613 CO -0.26 0.63 -0.01 0.00 -0.34 0.00 0.00 178.44 178.46 1vle h ALA 614 N 1.47 0.72 -0.21 1.25 0.00 -1.72 -2.31 119.26 118.45 1vle h ALA 614 Ca 0.18 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1vle h ALA 614 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1vle h ALA 614 CO -0.01 0.55 -0.19 -1.49 0.00 0.00 0.00 179.25 178.11 1vle h TRP 615 N 0.83 0.40 -0.71 0.00 4.06 -0.78 -2.61 115.95 117.14 1vle h TRP 615 Ca 0.15 -0.07 -0.04 0.00 2.06 0.00 0.00 58.89 60.99 1vle h TRP 615 Cb 0.55 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.57 1vle h TRP 615 CO 0.04 0.54 0.27 0.00 -3.56 0.00 0.00 178.44 175.74 1vle h GLU 617 N 1.02 0.56 -0.71 0.00 4.81 -1.18 0.15 114.58 119.23 1vle h GLU 617 Ca 0.24 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1vle h GLU 617 Cb 0.23 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1vle h GLU 617 CO -0.02 0.76 0.38 0.37 -0.73 0.00 0.00 179.01 179.77 1vle h GLN 618 N 0.33 0.99 0.26 1.92 4.15 -1.28 -1.62 115.11 119.86 1vle h GLN 618 Ca 0.08 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1vle h GLN 618 Cb 0.55 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1vle h GLN 618 CO 0.03 0.75 -0.21 -0.92 -1.93 0.00 0.00 178.83 176.54 1vle h TYR 619 N 0.97 -0.56 -0.59 3.99 3.20 -0.36 -2.69 116.97 120.93 1vle h TYR 619 Ca 0.25 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.24 1vle h TYR 619 Cb 0.05 0.21 -0.11 0.00 1.54 0.00 0.00 36.73 38.42 1vle h TYR 619 CO -0.00 -0.32 -0.11 0.35 -1.64 0.00 0.00 178.16 176.43 1vle h PHE 620 N -0.48 -0.25 0.00 -3.82 3.57 -0.33 -0.42 116.94 115.20 1vle h PHE 620 Ca -0.01 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1vle h PHE 620 Cb 0.43 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1vle h PHE 620 CO -0.13 -0.23 0.00 0.09 -2.23 0.00 0.00 178.31 175.80 1vle n ASN 621 N -5.38 0.56 -1.04 0.41 3.02 -0.64 -1.91 115.26 110.28 1vle n ASN 621 Ca 0.07 0.65 0.07 0.00 -0.03 0.00 0.00 54.58 55.34 1vle n ASN 621 Cb 0.32 -0.76 0.23 0.00 -0.61 0.00 0.00 39.78 38.95 1vle n ASN 621 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vle n ALA 622 N -1.73 2.70 -4.27 5.41 0.00 -0.17 -4.88 120.51 117.56 1vle n ALA 622 Ca 0.02 -0.96 -0.14 0.00 0.00 0.00 0.00 53.44 52.35 1vle n ALA 622 Cb 0.20 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 1vle n ALA 622 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vle n THR 623 N 0.78 0.00 1.21 0.00 -2.24 -0.80 -4.69 114.28 108.54 1vle n THR 623 Ca 0.17 -1.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.02 1vle n THR 623 Cb 0.54 0.16 0.49 0.00 -2.10 0.00 0.00 70.33 69.42 1vle n THR 623 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1vle n ASP 624 N -1.22 0.48 -0.34 3.42 10.43 -0.47 -4.25 116.55 124.60 1vle n ASP 624 Ca -0.09 -0.36 0.14 0.00 2.57 0.00 0.00 54.79 57.06 1vle n ASP 624 Cb 0.29 -0.04 0.33 0.00 1.84 0.00 0.00 41.12 43.54 1vle n ASP 624 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 1vle h MET 625 N 0.43 0.66 -0.38 -1.24 2.86 -1.79 -0.64 114.93 114.83 1vle h MET 625 Ca 0.00 -0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.71 1vle h MET 625 Cb 0.44 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1vle h MET 625 CO 0.00 0.43 0.40 -1.35 1.06 0.00 0.00 176.91 177.45 1vle h PRO 626 N 0.68 0.00 0.00 -0.22 0.11 -1.74 0.35 132.00 131.18 1vle h PRO 626 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 1vle h PRO 626 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1vle h PRO 626 CO -0.42 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 178.24 1vle h LYS 627 N 0.00 0.00 0.00 1.05 1.57 -1.43 -3.24 116.57 114.52 1vle h LYS 627 Ca 0.18 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.78 1vle h LYS 627 Cb 0.97 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.25 1vle h LYS 627 CO -0.00 0.00 -1.68 0.66 -0.57 0.00 0.00 179.45 177.85 1vle n TYR 628 N -3.00 0.00 -3.51 -1.35 4.02 0.10 -5.08 117.16 108.35 1vle n TYR 628 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 1vle n TYR 628 Cb 0.25 -0.48 -0.05 0.00 -0.02 0.00 0.00 39.34 39.05 1vle n TYR 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1vle s MET 629 N -2.24 1.02 0.77 -0.72 0.23 -0.06 -5.13 119.30 113.16 1vle s MET 629 Ca -0.11 0.05 -0.11 0.00 -1.03 0.00 0.00 55.69 54.49 1vle s MET 629 Cb 0.04 0.48 0.05 0.00 -1.53 0.00 0.00 34.83 33.86 1vle s MET 629 CO 0.34 -0.36 1.09 0.95 -2.03 0.00 0.00 175.02 175.01 1vle s THR 630 N -1.84 3.32 0.21 3.16 -4.23 -1.26 -3.76 115.64 111.23 1vle s THR 630 Ca -0.06 0.43 -0.09 0.00 -1.18 0.00 0.00 61.69 60.79 1vle s THR 630 Cb -0.00 -3.20 0.15 0.00 1.34 0.00 0.00 72.50 70.78 1vle s THR 630 CO 0.03 -0.56 1.80 -0.25 -0.54 0.00 0.00 174.62 175.10 1vle h TRP 631 N -0.96 0.67 -0.88 3.99 2.91 -1.96 -1.34 115.95 118.37 1vle h TRP 631 Ca -0.46 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.58 1vle h TRP 631 Cb 1.25 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 29.66 1vle h TRP 631 CO 0.50 0.31 0.52 -0.44 -1.03 0.00 0.00 178.44 178.30 1vle h ASP 632 N 0.67 1.07 -0.38 2.65 3.45 -1.99 0.17 116.42 122.06 1vle h ASP 632 Ca 0.31 -0.07 -0.12 0.00 0.43 0.00 0.00 57.03 57.57 1vle h ASP 632 Cb 0.22 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 1vle h ASP 632 CO -0.20 0.83 -0.24 -0.33 -1.57 0.00 0.00 179.24 177.73 1vle h GLU 633 N 1.22 0.83 -0.14 3.56 5.08 -1.81 -1.93 114.58 121.38 1vle h GLU 633 Ca 0.32 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1vle h GLU 633 Cb -0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1vle h GLU 633 CO -0.06 1.02 0.02 0.35 -1.00 0.00 0.00 179.01 179.34 1vle h PHE 634 N 0.63 0.26 -0.80 4.33 3.57 -0.97 0.06 116.94 124.01 1vle h PHE 634 Ca 0.08 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.64 1vle h PHE 634 Cb 0.81 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.40 1vle h PHE 634 CO 0.06 0.43 0.44 0.35 -2.23 0.00 0.00 178.31 177.36 1vle h PHE 635 N 0.01 0.79 -0.32 0.41 3.57 -0.64 0.29 116.94 121.05 1vle h PHE 635 Ca 0.04 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 1vle h PHE 635 Cb 0.31 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1vle h PHE 635 CO 0.02 0.29 -0.13 -0.22 -2.23 0.00 0.00 178.31 176.04 1vle h LYS 636 N 0.72 0.66 -0.01 1.11 3.64 -1.11 -3.19 116.57 118.39 1vle h LYS 636 Ca 0.40 -0.28 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 1vle h LYS 636 Cb 0.41 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1vle h LYS 636 CO -0.27 0.87 -0.65 -0.22 -2.27 0.00 0.00 179.45 176.91 1vle h LYS 637 N 0.43 0.06 0.00 1.90 3.64 -0.23 -3.47 116.57 118.91 1vle h LYS 637 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1vle h LYS 637 Cb 0.66 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1vle h LYS 637 CO 0.04 0.69 0.00 0.41 -2.27 0.00 0.00 179.45 178.32 1vle n GLY 638 N 0.35 2.08 3.29 5.01 0.00 0.96 -4.93 105.19 111.94 1vle n GLY 638 Ca -0.01 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 1vle n GLY 638 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1vle s TYR 639 N -0.58 -0.23 -0.05 1.61 -0.85 -1.26 0.73 117.35 116.72 1vle s TYR 639 Ca 0.00 0.25 0.00 0.00 -0.52 0.00 0.00 57.07 56.81 1vle s TYR 639 Cb 0.00 0.17 0.02 0.00 0.38 0.00 0.00 41.96 42.53 1vle s TYR 639 CO 0.00 -0.50 -0.02 0.12 -1.52 0.00 0.00 175.55 173.63 1vle s PHE 640 N -2.01 0.63 -0.32 -3.49 5.36 0.23 -4.98 117.98 113.40 1vle s PHE 640 Ca -0.08 -0.15 -0.16 0.00 -0.96 0.00 0.00 56.93 55.57 1vle s PHE 640 Cb -0.02 -0.64 -0.02 0.00 -0.34 0.00 0.00 43.02 42.00 1vle s PHE 640 CO 0.01 -0.21 0.44 0.08 -1.46 0.00 0.00 175.22 174.07 1vle s VAL 641 N 1.18 5.10 0.16 3.12 1.01 -1.26 -0.80 120.40 128.91 1vle s VAL 641 Ca -0.07 0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.98 1vle s VAL 641 Cb -0.14 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1vle s VAL 641 CO -0.02 -0.05 1.52 -0.69 0.00 0.00 0.00 175.10 175.87 1vle s VAL 642 N 2.20 2.75 0.82 2.92 1.01 -0.02 -4.36 120.40 125.73 1vle s VAL 642 Ca 0.16 0.55 -0.13 0.00 0.00 0.00 0.00 61.98 62.56 1vle s VAL 642 Cb -0.16 -3.35 0.09 0.00 0.00 0.00 0.00 36.38 32.96 1vle s VAL 642 CO 0.11 0.05 1.19 -2.65 0.00 0.00 0.00 175.10 173.80 1vle n PRO 643 N 3.78 0.10 -2.00 2.72 -0.02 -1.26 -4.64 135.00 133.68 1vle n PRO 643 Ca 0.13 0.11 -0.32 0.00 -2.02 0.00 0.00 63.50 61.40 1vle n PRO 643 Cb 0.39 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.46 1vle n PRO 643 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1vle s ASP 644 N -2.18 5.94 -0.48 2.55 3.68 -1.26 -4.61 116.67 120.31 1vle s ASP 644 Ca 0.72 1.67 0.07 0.00 2.13 0.00 0.00 52.55 57.14 1vle s ASP 644 Cb -0.28 -2.51 0.23 0.00 -1.45 0.00 0.00 42.92 38.91 1vle s ASP 644 CO 0.52 -1.06 0.55 -3.20 0.13 0.00 0.00 175.17 172.11 1vle n ASN 645 N -2.26 1.16 0.00 -0.34 5.15 -1.26 -5.00 115.26 112.71 1vle n ASN 645 Ca 0.08 -2.87 0.00 0.00 -0.60 0.00 0.00 54.58 51.19 1vle n ASN 645 Cb 0.53 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 39.14 1vle n ASN 645 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1vle n PRO 646 N 1.52 0.00 -0.24 1.20 -0.02 -1.26 -3.14 135.00 133.06 1vle n PRO 646 Ca 0.25 0.51 0.28 0.00 -2.02 0.00 0.00 63.50 62.51 1vle n PRO 646 Cb 0.48 -1.24 0.43 0.00 -0.02 0.00 0.00 33.50 33.15 1vle n PRO 646 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1vle n ASN 647 N -1.61 0.00 -4.72 2.55 3.02 -1.26 -4.61 115.26 108.64 1vle n ASN 647 Ca 0.00 0.72 -0.43 0.00 -0.03 0.00 0.00 54.58 54.85 1vle n ASN 647 Cb 0.00 -0.26 -0.02 0.00 -0.61 0.00 0.00 39.78 38.89 1vle n ASN 647 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1vle n ARG 648 N -3.15 2.45 -1.97 3.52 1.85 -1.19 -4.88 116.66 113.29 1vle n ARG 648 Ca 0.23 0.87 -0.41 0.00 -1.00 0.00 0.00 57.85 57.55 1vle n ARG 648 Cb 1.46 -2.59 -0.01 0.00 -1.05 0.00 0.00 32.46 30.27 1vle n ARG 648 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1vle s LYS 649 N -0.68 4.16 0.10 2.89 -2.85 -1.26 -4.98 119.74 117.13 1vle s LYS 649 Ca 0.64 2.36 -0.26 0.00 -1.00 0.00 0.00 55.97 57.71 1vle s LYS 649 Cb -0.55 -2.96 -0.07 0.00 -2.06 0.00 0.00 37.83 32.20 1vle s LYS 649 CO 0.51 -0.40 0.79 0.15 0.10 0.00 0.00 175.35 176.50 1vle s LYS 650 N -2.01 4.55 -0.44 1.78 -0.14 -1.26 -5.03 119.74 117.19 1vle s LYS 650 Ca 0.52 1.15 0.02 0.00 -1.36 0.00 0.00 55.97 56.31 1vle s LYS 650 Cb -0.42 -3.32 0.14 0.00 -1.68 0.00 0.00 37.83 32.55 1vle s LYS 650 CO 0.56 0.39 0.27 0.95 -0.76 0.00 0.00 175.35 176.76 1vle s THR 651 N -0.49 1.18 0.31 2.17 -4.23 -1.26 -5.11 115.64 108.20 1vle s THR 651 Ca 0.38 -2.55 -0.30 0.00 -1.18 0.00 0.00 61.69 58.05 1vle s THR 651 Cb -0.22 -1.82 -0.12 0.00 1.34 0.00 0.00 72.50 71.68 1vle s THR 651 CO 0.25 -0.96 1.49 0.52 -0.54 0.00 0.00 174.62 175.38 1vle n VAL 652 N 3.43 1.37 -1.59 2.29 0.31 -1.26 -4.42 118.33 118.45 1vle n VAL 652 Ca 0.13 -0.34 -0.49 0.00 -0.01 0.00 0.00 64.34 63.62 1vle n VAL 652 Cb 0.37 -1.81 -0.05 0.00 -0.91 0.00 0.00 33.84 31.44 1vle n VAL 652 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vle n ALA 653 N 1.45 -0.59 -0.58 3.52 0.00 -0.51 -2.14 120.51 121.65 1vle n ALA 653 Ca 0.07 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1vle n ALA 653 Cb 0.36 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1vle n ALA 653 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vle n LEU 654 N 2.24 0.89 -0.04 0.00 4.77 -1.26 -4.47 117.00 119.13 1vle n LEU 654 Ca 0.16 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.13 1vle n LEU 654 Cb 0.24 -1.40 0.26 0.00 -2.33 0.00 0.00 43.42 40.19 1vle n LEU 654 CO 0.62 -0.47 0.94 -0.09 -1.33 0.00 0.00 177.39 177.05 1vle h ARG 655 N 0.32 0.62 -0.85 3.23 2.43 -1.51 0.44 114.38 119.05 1vle h ARG 655 Ca 0.00 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1vle h ARG 655 Cb 0.06 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 1vle h ARG 655 CO 0.00 0.62 0.56 0.11 -1.51 0.00 0.00 179.97 179.75 1vle h TRP 656 N 0.59 1.06 -0.36 2.20 5.08 -1.88 0.21 115.95 122.86 1vle h TRP 656 Ca 0.13 0.03 -0.08 0.00 1.08 0.00 0.00 58.89 60.04 1vle h TRP 656 Cb 0.34 -0.36 -0.01 0.00 -3.00 0.00 0.00 29.16 26.13 1vle h TRP 656 CO 0.01 0.65 -0.09 0.35 -1.28 0.00 0.00 178.44 178.08 1vle h PHE 657 N 1.13 0.78 -0.39 0.12 3.57 -1.59 -0.52 116.94 120.03 1vle h PHE 657 Ca 0.32 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1vle h PHE 657 Cb -0.08 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 1vle h PHE 657 CO -0.02 0.85 0.11 0.00 -2.23 0.00 0.00 178.31 177.03 1vle h ALA 658 N 0.82 1.47 -0.41 2.41 0.00 -0.25 -2.32 119.26 120.98 1vle h ALA 658 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1vle h ALA 658 Cb 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1vle h ALA 658 CO 0.04 0.39 0.00 0.39 0.00 0.00 0.00 179.25 180.07 1vle n GLU 659 N -4.35 2.20 -2.55 0.00 1.02 0.69 -4.96 120.64 112.68 1vle n GLU 659 Ca 0.02 -1.84 -0.21 0.00 -0.02 0.00 0.00 57.16 55.11 1vle n GLU 659 Cb 0.18 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1vle n GLU 659 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vle n GLY 660 N 1.35 -0.51 1.18 0.62 0.00 -0.46 -5.01 105.19 102.37 1vle n GLY 660 Ca 0.18 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 1vle n GLY 660 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vle n ARG 661 N -3.26 1.53 -2.07 1.61 1.85 -0.33 -4.96 116.66 111.04 1vle n ARG 661 Ca -0.21 -1.18 -0.41 0.00 -1.00 0.00 0.00 57.85 55.05 1vle n ARG 661 Cb 0.67 0.28 -0.02 0.00 -1.05 0.00 0.00 32.46 32.34 1vle n ARG 661 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1vle s GLU 662 N -2.62 4.31 0.06 2.89 8.01 -1.26 -4.50 118.70 125.60 1vle s GLU 662 Ca 0.02 2.25 -0.35 0.00 0.01 0.00 0.00 54.97 56.89 1vle s GLU 662 Cb -0.00 -3.09 -0.15 0.00 -4.31 0.00 0.00 34.13 26.58 1vle s GLU 662 CO 0.01 -0.30 1.56 1.17 0.01 0.00 0.00 175.26 177.72 1vle n LYS 663 N 1.52 1.75 -0.00 1.61 0.00 -0.99 -4.85 118.16 117.20 1vle n LYS 663 Ca 0.03 0.63 0.00 0.00 0.00 0.00 0.00 58.31 58.97 1vle n LYS 663 Cb 0.41 -2.37 0.00 0.00 0.00 0.00 0.00 35.03 33.08 1vle n LYS 663 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1vle n ASP 664 N 3.78 1.26 -4.89 3.14 5.75 -1.26 -5.08 116.55 119.26 1vle n ASP 664 Ca 0.19 -1.64 -0.21 0.00 -0.01 0.00 0.00 54.79 53.12 1vle n ASP 664 Cb 0.24 -0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.39 1vle n ASP 664 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1vle s THR 665 N -0.64 2.47 -2.00 2.12 -4.23 -1.26 -4.92 115.64 107.17 1vle s THR 665 Ca 0.00 -0.72 0.20 0.00 -1.18 0.00 0.00 61.69 59.99 1vle s THR 665 Cb 0.00 -2.74 0.58 0.00 1.34 0.00 0.00 72.50 71.68 1vle s THR 665 CO 0.00 0.00 1.71 -2.65 -0.54 0.00 0.00 174.62 173.14 1vle n PRO 666 N -2.43 0.88 -1.55 3.99 -0.02 -1.26 -4.91 135.00 129.70 1vle n PRO 666 Ca 0.11 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.18 1vle n PRO 666 Cb 0.60 -1.36 0.01 0.00 -0.02 0.00 0.00 33.50 32.73 1vle n PRO 666 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1vle n ASP 667 N -0.86 0.38 -0.50 2.55 2.03 -1.26 -4.84 116.55 114.05 1vle n ASP 667 Ca 0.15 0.96 0.00 0.00 0.52 0.00 0.00 54.79 56.43 1vle n ASP 667 Cb 0.07 -1.26 0.02 0.00 -0.72 0.00 0.00 41.12 39.23 1vle n ASP 667 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1vle n TRP 668 N -0.75 0.10 -3.75 -0.67 7.02 -1.26 -4.86 117.44 113.27 1vle n TRP 668 Ca 0.11 -0.03 -0.00 0.00 -1.02 0.00 0.00 57.50 56.55 1vle n TRP 668 Cb 0.40 -0.10 -0.00 0.00 -2.42 0.00 0.00 31.31 29.18 1vle n TRP 668 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1vle s GLY 669 N -0.17 -0.25 0.73 6.99 0.00 -1.26 -4.68 107.32 108.68 1vle s GLY 669 Ca 0.03 0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.94 1vle s GLY 669 CO 0.01 1.26 1.07 2.56 0.00 0.00 0.00 173.10 178.01 1vle s PRO 670 N -2.53 2.62 0.42 2.90 0.04 -1.26 -5.06 135.00 132.13 1vle s PRO 670 Ca 0.17 0.95 -0.25 0.00 0.04 0.00 0.00 61.00 61.92 1vle s PRO 670 Cb 0.01 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 1vle s PRO 670 CO -0.01 -1.32 1.18 1.03 0.04 0.00 0.00 177.00 177.92 1vle s ARG 671 N -5.03 3.96 0.32 4.56 0.52 -1.26 -4.90 118.95 117.12 1vle s ARG 671 Ca 0.59 1.84 0.09 0.00 -0.52 0.00 0.00 55.73 57.73 1vle s ARG 671 Cb -0.15 -2.60 0.93 0.00 0.52 0.00 0.00 34.95 33.65 1vle s ARG 671 CO 0.55 -0.40 1.67 -0.07 0.02 0.00 0.00 175.30 177.07 1vle h LEU 672 N 2.47 0.36 -0.91 2.53 3.38 -1.99 0.29 115.31 121.44 1vle h LEU 672 Ca -0.49 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1vle h LEU 672 Cb 1.24 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1vle h LEU 672 CO 0.62 -0.11 0.00 -0.46 0.09 0.00 0.00 178.44 178.58 1vle n ASN 673 N -5.09 0.65 -1.54 -0.43 0.23 -1.26 -1.72 115.26 106.11 1vle n ASN 673 Ca 0.27 0.69 0.08 0.00 -0.53 0.00 0.00 54.58 55.10 1vle n ASN 673 Cb 0.84 -0.82 0.33 0.00 -2.08 0.00 0.00 39.78 38.05 1vle n ASN 673 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1vle n ASN 674 N -2.26 4.55 -4.11 0.53 5.03 0.10 -4.92 115.26 114.19 1vle n ASN 674 Ca 0.01 -2.53 -0.08 0.00 0.87 0.00 0.00 54.58 52.85 1vle n ASN 674 Cb 0.18 -0.58 -0.10 0.00 -1.02 0.00 0.00 39.78 38.25 1vle n ASN 674 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1vle s GLN 675 N -2.05 0.71 -0.28 3.52 -0.21 -0.70 -4.30 119.66 116.34 1vle s GLN 675 Ca 0.46 -1.28 -0.06 0.00 0.02 0.00 0.00 55.36 54.50 1vle s GLN 675 Cb 0.31 0.19 0.01 0.00 1.00 0.00 0.00 33.01 34.52 1vle s GLN 675 CO 0.19 -0.14 0.05 0.08 -2.12 0.00 0.00 175.29 173.35 1vle s VAL 676 N -3.94 3.79 -1.49 1.09 1.01 -1.24 -4.43 120.40 115.19 1vle s VAL 676 Ca 0.12 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1vle s VAL 676 Cb 0.08 -2.91 0.08 0.00 0.00 0.00 0.00 36.38 33.62 1vle s VAL 676 CO -0.07 0.16 0.85 0.00 0.00 0.00 0.00 175.10 176.04 1vle n ARG 678 N -4.44 -1.55 -4.26 0.00 1.85 -1.26 -4.82 116.66 102.19 1vle n ARG 678 Ca 0.02 0.17 -0.18 0.00 -1.00 0.00 0.00 57.85 56.86 1vle n ARG 678 Cb 0.54 -3.90 -0.11 0.00 -1.05 0.00 0.00 32.46 27.94 1vle n ARG 678 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1vle s LYS 679 N -7.17 1.07 0.00 2.89 1.02 -0.88 -2.35 119.74 114.32 1vle s LYS 679 Ca 0.06 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.76 1vle s LYS 679 Cb -0.03 -0.94 0.00 0.00 -0.52 0.00 0.00 37.83 36.34 1vle s LYS 679 CO 0.97 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 175.99 1vle n GLY 680 N 0.42 -1.49 3.90 -3.33 0.00 -1.26 -3.69 105.19 99.73 1vle n GLY 680 Ca -0.15 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 1vle n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vle s LEU 681 N -3.97 2.66 0.60 0.99 1.43 0.56 -4.91 118.68 116.05 1vle s LEU 681 Ca 0.00 0.82 0.33 0.00 -1.03 0.00 0.00 54.13 54.25 1vle s LEU 681 Cb 0.00 -3.41 1.94 0.00 0.03 0.00 0.00 46.19 44.75 1vle s LEU 681 CO 0.00 -1.71 2.27 -0.61 0.23 0.00 0.00 176.35 176.53 1vle h GLN 682 N -0.88 0.00 -7.12 1.70 4.15 -1.76 -3.36 115.11 107.84 1vle h GLN 682 Ca -0.46 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.43 1vle h GLN 682 Cb 1.31 0.00 0.19 0.00 0.21 0.00 0.00 27.48 29.19 1vle h GLN 682 CO 0.65 0.01 0.13 0.25 -1.93 0.00 0.00 178.83 177.93 1vle n THR 683 N -3.65 1.26 -0.15 2.39 -2.24 -1.26 -4.83 114.28 105.80 1vle n THR 683 Ca -0.03 -0.17 -0.05 0.00 -2.27 0.00 0.00 64.05 61.53 1vle n THR 683 Cb 0.09 -1.04 0.01 0.00 -2.10 0.00 0.00 70.33 67.29 1vle n THR 683 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1vle h THR 684 N -1.19 0.29 0.00 4.28 2.02 -1.90 -0.61 112.91 115.79 1vle h THR 684 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1vle h THR 684 Cb 1.29 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1vle h THR 684 CO 0.43 0.00 0.00 0.71 0.37 0.00 0.00 175.52 177.03 1vle h THR 685 N -0.16 0.00 0.00 3.16 1.35 -1.91 -3.47 112.91 111.89 1vle h THR 685 Ca 0.21 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1vle h THR 685 Cb 0.50 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1vle h THR 685 CO -0.56 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.32 1vle n GLY 686 N 0.67 0.79 3.73 5.82 0.00 -0.24 -4.92 105.19 111.05 1vle n GLY 686 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1vle n GLY 686 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vle s LYS 687 N -0.25 2.16 -0.13 1.61 1.02 -1.26 -0.32 119.74 122.57 1vle s LYS 687 Ca 0.00 -2.00 -0.29 0.00 0.02 0.00 0.00 55.97 53.70 1vle s LYS 687 Cb 0.00 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1vle s LYS 687 CO 0.00 -0.18 1.37 0.08 -0.92 0.00 0.00 175.35 175.70 1vle s VAL 688 N -2.68 4.08 -0.53 3.17 1.01 0.57 -4.77 120.40 121.23 1vle s VAL 688 Ca 0.34 1.31 -0.14 0.00 0.00 0.00 0.00 61.98 63.49 1vle s VAL 688 Cb 0.04 -3.84 0.13 0.00 0.00 0.00 0.00 36.38 32.71 1vle s VAL 688 CO 0.19 -0.11 0.47 -1.61 0.00 0.00 0.00 175.10 174.04 1vle s GLU 689 N 3.59 2.88 0.58 2.72 2.02 0.13 -0.37 118.70 130.24 1vle s GLU 689 Ca 0.60 -1.76 0.37 0.00 0.02 0.00 0.00 54.97 54.20 1vle s GLU 689 Cb -0.25 -4.21 1.76 0.00 0.10 0.00 0.00 34.13 31.53 1vle s GLU 689 CO 0.19 -1.29 2.11 0.74 0.02 0.00 0.00 175.26 177.03 1vle h PHE 690 N 8.72 0.00 -3.30 1.61 -1.00 -1.67 -3.20 116.94 118.10 1vle h PHE 690 Ca -0.26 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 59.90 1vle h PHE 690 Cb 1.09 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 40.25 1vle h PHE 690 CO 0.72 0.00 -0.72 0.42 -1.61 0.00 0.00 178.31 177.12 1vle s ILE 691 N -3.83 1.75 -0.10 -0.55 1.01 -1.25 -1.60 121.20 116.62 1vle s ILE 691 Ca -0.01 -2.36 -0.29 0.00 0.00 0.00 0.00 60.65 57.98 1vle s ILE 691 Cb 0.10 -2.26 -0.07 0.00 0.01 0.00 0.00 42.46 40.25 1vle s ILE 691 CO 0.47 -0.74 2.09 0.00 0.00 0.00 0.00 174.94 176.76 1vle s ALA 692 N 0.69 3.13 0.29 9.38 0.00 0.22 -4.88 121.76 130.59 1vle s ALA 692 Ca 0.14 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 53.09 1vle s ALA 692 Cb -0.22 -3.97 0.42 0.00 0.00 0.00 0.00 23.12 19.36 1vle s ALA 692 CO -0.08 -2.22 1.96 1.79 0.00 0.00 0.00 175.76 177.20 1vle h THR 693 N 6.43 1.21 -0.03 0.00 1.35 -1.89 0.22 112.91 120.20 1vle h THR 693 Ca -0.45 -0.40 -0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1vle h THR 693 Cb 1.24 -0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1vle h THR 693 CO 0.95 0.21 0.02 0.77 -0.25 0.00 0.00 175.52 177.22 1vle h SER 694 N 1.16 0.04 -0.18 5.36 4.64 -1.90 -0.15 113.55 122.52 1vle h SER 694 Ca 0.32 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.51 1vle h SER 694 Cb -0.11 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1vle h SER 694 CO -0.07 0.09 -0.11 -0.07 -0.87 0.00 0.00 176.83 175.79 1vle h LEU 695 N -0.01 0.54 -0.77 5.97 3.38 -1.77 -0.99 115.31 121.65 1vle h LEU 695 Ca 0.01 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1vle h LEU 695 Cb 0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1vle h LEU 695 CO -0.00 0.69 0.20 0.50 0.09 0.00 0.00 178.44 179.91 1vle h LYS 696 N 0.51 1.12 -0.29 1.13 3.64 -0.21 0.52 116.57 122.99 1vle h LYS 696 Ca 0.09 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1vle h LYS 696 Cb 0.50 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1vle h LYS 696 CO 0.03 0.97 0.15 -0.91 -2.27 0.00 0.00 179.45 177.42 1vle h ASN 697 N 1.07 0.37 -0.24 4.20 -0.26 -0.48 0.04 115.58 120.29 1vle h ASN 697 Ca 0.23 -0.10 0.05 0.00 -0.56 0.00 0.00 56.30 55.91 1vle h ASN 697 Cb 0.34 -0.10 -0.05 0.00 -1.06 0.00 0.00 38.32 37.46 1vle h ASN 697 CO -0.00 0.37 -0.06 0.15 -1.06 0.00 0.00 177.43 176.83 1vle h PHE 698 N 0.35 -0.12 -0.22 1.19 3.57 -0.64 0.04 116.94 121.11 1vle h PHE 698 Ca 0.10 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 1vle h PHE 698 Cb 0.09 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1vle h PHE 698 CO -0.03 -0.10 -0.34 1.05 -2.23 0.00 0.00 178.31 176.67 1vle h GLU 699 N 0.00 0.45 0.00 1.11 4.11 -0.73 -1.92 114.58 117.60 1vle h GLU 699 Ca 0.12 -0.20 0.00 0.00 0.07 0.00 0.00 59.36 59.35 1vle h GLU 699 Cb 0.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1vle h GLU 699 CO -0.24 0.74 0.00 0.39 0.07 0.00 0.00 179.01 179.96 1vle n GLU 700 N -4.07 0.08 -0.12 1.06 1.02 -0.02 -1.23 120.64 117.37 1vle n GLU 700 Ca -0.01 0.24 0.10 0.00 -0.02 0.00 0.00 57.16 57.47 1vle n GLU 700 Cb 0.46 -1.63 0.32 0.00 -0.02 0.00 0.00 31.44 30.56 1vle n GLU 700 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1vle n GLN 701 N -1.78 1.88 -0.07 3.49 6.02 -0.06 -4.91 117.38 121.95 1vle n GLN 701 Ca 0.04 -1.33 0.00 0.00 -0.01 0.00 0.00 57.00 55.70 1vle n GLN 701 Cb 0.25 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.11 1vle n GLN 701 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vle n GLY 702 N 1.19 0.48 3.24 1.08 0.00 -0.37 -5.01 105.19 105.80 1vle n GLY 702 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1vle n GLY 702 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vle n TYR 703 N -2.00 4.19 -2.48 1.61 4.02 -0.91 -4.97 117.16 116.62 1vle n TYR 703 Ca 0.00 -3.03 -0.42 0.00 -0.01 0.00 0.00 57.90 54.44 1vle n TYR 703 Cb 0.00 -2.32 -0.03 0.00 -0.02 0.00 0.00 39.34 36.97 1vle n TYR 703 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1vle s ILE 704 N 2.30 4.28 -0.33 -0.72 -1.09 -1.26 -4.16 121.20 120.21 1vle s ILE 704 Ca 0.46 1.61 0.00 0.00 -2.23 0.00 0.00 60.65 60.49 1vle s ILE 704 Cb 0.05 -4.03 0.14 0.00 -1.58 0.00 0.00 42.46 37.03 1vle s ILE 704 CO 0.01 0.03 0.26 -0.62 -1.23 0.00 0.00 174.94 173.39 1vle s ASP 705 N 1.36 2.31 0.29 3.58 -1.08 -1.26 -5.01 116.67 116.86 1vle s ASP 705 Ca 0.56 -1.59 0.04 0.00 -0.52 0.00 0.00 52.55 51.04 1vle s ASP 705 Cb -0.25 0.06 0.74 0.00 -1.46 0.00 0.00 42.92 42.01 1vle s ASP 705 CO 0.23 -0.33 1.70 -0.08 0.52 0.00 0.00 175.17 177.21 1vle h GLU 706 N 7.51 0.42 -0.76 4.34 4.81 -2.02 -0.96 114.58 127.92 1vle h GLU 706 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1vle h GLU 706 Cb 1.02 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1vle h GLU 706 CO 0.29 0.28 0.00 0.72 -0.73 0.00 0.00 179.01 179.57 1vle n HIS 707 N -5.02 0.28 -2.83 0.92 8.25 -1.26 -4.00 115.22 111.56 1vle n HIS 707 Ca 0.22 -0.10 -0.11 0.00 -0.26 0.00 0.00 57.72 57.47 1vle n HIS 707 Cb 0.65 -0.13 0.04 0.00 1.12 0.00 0.00 29.99 31.68 1vle n HIS 707 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1vle n ARG 708 N 0.03 0.86 -2.37 -0.41 0.63 -0.36 -4.78 116.66 110.27 1vle n ARG 708 Ca 0.04 -2.11 -0.35 0.00 -0.92 0.00 0.00 57.85 54.51 1vle n ARG 708 Cb 0.33 -1.32 -0.01 0.00 0.45 0.00 0.00 32.46 31.90 1vle n ARG 708 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1vle s PRO 709 N 0.08 3.61 0.48 -0.14 0.04 -1.25 -4.78 135.00 133.05 1vle s PRO 709 Ca 0.30 1.55 0.15 0.00 0.04 0.00 0.00 61.00 63.05 1vle s PRO 709 Cb 0.25 -2.13 1.16 0.00 0.04 0.00 0.00 34.50 33.82 1vle s PRO 709 CO -0.16 -0.63 2.06 0.66 0.04 0.00 0.00 177.00 178.98 1vle h SER 710 N 1.53 0.18 -3.03 6.66 4.64 -1.89 -3.40 113.55 118.24 1vle h SER 710 Ca -0.50 -0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.21 1vle h SER 710 Cb 1.24 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 1vle h SER 710 CO 0.58 0.12 -0.28 -0.32 -0.87 0.00 0.00 176.83 176.06 1vle s MET 711 N -5.22 3.94 -0.23 4.77 -2.45 -1.26 -0.61 119.30 118.25 1vle s MET 711 Ca -0.06 0.23 -0.29 0.00 -1.25 0.00 0.00 55.69 54.32 1vle s MET 711 Cb 0.18 -3.28 -0.03 0.00 1.25 0.00 0.00 34.83 32.95 1vle s MET 711 CO 0.71 0.56 1.76 -1.58 1.05 0.00 0.00 175.02 177.52 1vle s HIS 712 N -0.56 1.85 0.26 4.11 2.46 -0.63 -4.95 115.29 117.84 1vle s HIS 712 Ca 0.20 0.48 0.03 0.00 0.47 0.00 0.00 55.06 56.24 1vle s HIS 712 Cb -0.15 -4.04 -0.04 0.00 -0.13 0.00 0.00 32.58 28.23 1vle s HIS 712 CO 0.09 -3.29 0.20 0.95 -2.47 0.00 0.00 174.74 170.22 1vle s THR 713 N 5.92 0.00 -1.12 0.89 -4.23 -1.26 -5.03 115.64 110.81 1vle s THR 713 Ca 0.78 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 59.10 1vle s THR 713 Cb -0.27 -2.50 0.09 0.00 1.34 0.00 0.00 72.50 71.17 1vle s THR 713 CO 0.32 0.00 1.47 -0.47 -0.54 0.00 0.00 174.62 175.40 1vle s TYR 714 N -3.81 2.89 -0.21 3.99 5.04 -1.26 -4.90 117.35 119.08 1vle s TYR 714 Ca 0.40 -1.40 -0.25 0.00 -2.44 0.00 0.00 57.07 53.38 1vle s TYR 714 Cb 0.05 -4.57 -0.01 0.00 0.35 0.00 0.00 41.96 37.78 1vle s TYR 714 CO 0.20 -1.72 0.82 0.08 -1.34 0.00 0.00 175.55 173.59 1vle s VAL 715 N 3.72 4.86 0.25 3.14 1.01 -1.26 -5.00 120.40 127.11 1vle s VAL 715 Ca 0.45 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.71 1vle s VAL 715 Cb -0.00 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 1vle s VAL 715 CO -0.03 -0.03 1.55 -2.84 0.00 0.00 0.00 175.10 173.75 1vle s PRO 716 N 2.56 4.19 0.06 2.72 0.02 -1.26 -4.90 135.00 138.39 1vle s PRO 716 Ca 0.36 2.45 -0.30 0.00 0.02 0.00 0.00 61.00 63.53 1vle s PRO 716 Cb -0.16 -3.08 -0.09 0.00 0.02 0.00 0.00 34.50 31.19 1vle s PRO 716 CO 0.09 -0.57 1.86 0.00 -0.33 0.00 0.00 177.00 178.05 1vle s ALA 717 N 0.30 3.66 -1.08 -1.55 0.00 -1.26 -4.85 121.76 116.97 1vle s ALA 717 Ca 0.64 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.96 1vle s ALA 717 Cb -0.45 -3.79 0.18 0.00 0.00 0.00 0.00 23.12 19.06 1vle s ALA 717 CO 0.42 -1.39 1.10 -2.67 0.00 0.00 0.00 175.76 173.22 1vle n TRP 718 N 6.66 0.00 -3.16 0.00 4.27 -1.26 -2.69 117.44 121.26 1vle n TRP 718 Ca 0.18 0.00 -0.23 0.00 -3.89 0.00 0.00 57.50 53.57 1vle n TRP 718 Cb 0.40 -0.46 -0.05 0.00 -1.36 0.00 0.00 31.31 29.85 1vle n TRP 718 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 1vle n GLU 719 N -1.46 1.71 -4.41 -2.67 4.07 -1.26 -4.59 120.64 112.04 1vle n GLU 719 Ca 0.01 -3.91 -0.20 0.00 -0.06 0.00 0.00 57.16 53.00 1vle n GLU 719 Cb 0.05 -1.81 -0.10 0.00 -0.06 0.00 0.00 31.44 29.51 1vle n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1vle s SER 720 N -2.42 2.68 0.14 4.31 1.04 -1.10 -4.39 113.70 113.97 1vle s SER 720 Ca 0.41 -1.16 -0.15 0.00 0.48 0.00 0.00 55.95 55.54 1vle s SER 720 Cb 0.26 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1vle s SER 720 CO -0.09 -0.31 1.69 1.56 0.98 0.00 0.00 173.24 177.06 1vle h GLN 721 N 2.34 0.68 0.00 4.02 4.20 -1.90 -2.18 115.11 122.27 1vle h GLN 721 Ca -0.39 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.19 1vle h GLN 721 Cb 1.23 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.90 1vle h GLN 721 CO 0.66 0.63 -0.66 0.36 -0.67 0.00 0.00 178.83 179.15 1vle n LYS 722 N -4.59 0.03 -0.00 1.46 2.85 -1.26 -4.38 118.16 112.27 1vle n LYS 722 Ca 0.01 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.30 1vle n LYS 722 Cb 0.16 -1.51 -0.04 0.00 -0.65 0.00 0.00 35.03 32.98 1vle n LYS 722 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1vle n HIS 723 N -1.55 0.00 -3.41 5.58 8.25 -1.24 -5.01 115.22 117.85 1vle n HIS 723 Ca 0.05 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.14 1vle n HIS 723 Cb 0.34 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 1vle n HIS 723 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1vle s SER 724 N -2.07 6.59 0.52 0.41 0.15 -0.82 -4.92 113.70 113.56 1vle s SER 724 Ca 0.01 0.70 0.20 0.00 0.70 0.00 0.00 55.95 57.56 1vle s SER 724 Cb 0.05 -2.24 1.31 0.00 -1.71 0.00 0.00 66.02 63.42 1vle s SER 724 CO 0.27 0.05 2.07 -0.65 1.20 0.00 0.00 173.24 176.18 1vle h PRO 725 N 6.60 0.03 -0.05 5.44 0.11 -1.88 -1.53 132.00 140.72 1vle h PRO 725 Ca -0.42 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 1vle h PRO 725 Cb 1.18 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1vle h PRO 725 CO 0.75 0.02 -0.18 -0.07 -0.21 0.00 0.00 178.00 178.31 1vle h LEU 726 N 0.03 0.07 -2.31 2.35 4.07 -1.92 -3.07 115.31 114.52 1vle h LEU 726 Ca 0.14 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.12 1vle h LEU 726 Cb 0.52 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.24 1vle h LEU 726 CO -0.01 0.26 0.21 0.00 -1.08 0.00 0.00 178.44 177.82 1vle h ALA 727 N 1.75 1.52 -0.28 1.53 0.00 -1.41 0.56 119.26 122.93 1vle h ALA 727 Ca 0.01 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1vle h ALA 727 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1vle h ALA 727 CO 0.02 -0.27 -0.23 0.28 0.00 0.00 0.00 179.25 179.06 1vle h VAL 728 N 0.00 1.26 0.11 0.00 2.07 -1.72 -2.56 116.25 115.41 1vle h VAL 728 Ca 0.05 -1.25 -0.36 0.00 0.82 0.00 0.00 66.70 65.95 1vle h VAL 728 Cb 0.47 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1vle h VAL 728 CO -0.00 0.40 -2.02 0.29 0.02 0.00 0.00 177.57 176.26 1vle n LYS 729 N -4.13 0.74 -3.94 1.57 5.02 -0.43 -4.69 118.16 112.31 1vle n LYS 729 Ca -0.00 0.26 -0.30 0.00 -2.02 0.00 0.00 58.31 56.25 1vle n LYS 729 Cb 0.40 -1.69 -0.14 0.00 -0.02 0.00 0.00 35.03 33.58 1vle n LYS 729 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1vle s TYR 730 N -2.55 3.26 -0.37 2.13 2.02 0.06 -4.83 117.35 117.07 1vle s TYR 730 Ca -0.24 -3.21 0.27 0.00 -0.37 0.00 0.00 57.07 53.52 1vle s TYR 730 Cb 0.07 -2.79 0.97 0.00 -0.40 0.00 0.00 41.96 39.81 1vle s TYR 730 CO 0.75 -0.70 1.79 -1.00 -1.57 0.00 0.00 175.55 174.82 1vle h PRO 731 N 6.26 0.00 -6.16 -1.71 0.13 -1.46 -3.35 132.00 125.70 1vle h PRO 731 Ca -0.03 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.52 1vle h PRO 731 Cb 0.86 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.94 1vle h PRO 731 CO 0.70 0.00 -0.05 -0.51 -0.23 0.00 0.00 178.00 177.91 1vle s LEU 732 N -5.19 4.49 -0.30 1.56 1.43 -0.76 -4.95 118.68 114.96 1vle s LEU 732 Ca 0.05 1.20 -0.13 0.00 -1.03 0.00 0.00 54.13 54.21 1vle s LEU 732 Cb 0.09 -2.87 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 1vle s LEU 732 CO 0.51 0.23 0.30 -0.83 0.23 0.00 0.00 176.35 176.79 1vle s GLY 733 N -0.81 1.91 -0.10 -3.19 0.00 -0.28 -1.60 107.32 103.24 1vle s GLY 733 Ca 0.29 -1.07 -0.01 0.00 0.00 0.00 0.00 44.72 43.94 1vle s GLY 733 CO 0.18 0.85 -0.06 -0.29 0.00 0.00 0.00 173.10 173.78 1vle s MET 734 N 1.92 3.09 0.08 2.90 1.75 0.05 -0.53 119.30 128.56 1vle s MET 734 Ca 0.11 -0.54 0.10 0.00 -1.25 0.00 0.00 55.69 54.10 1vle s MET 734 Cb -0.16 -2.70 -0.03 0.00 2.84 0.00 0.00 34.83 34.77 1vle s MET 734 CO 0.11 0.51 -0.25 -0.48 -0.65 0.00 0.00 175.02 174.26 1vle s LEU 735 N -0.38 2.35 -0.41 4.11 2.34 -1.06 -2.33 118.68 123.30 1vle s LEU 735 Ca 0.06 -0.62 0.05 0.00 0.06 0.00 0.00 54.13 53.67 1vle s LEU 735 Cb -0.12 -1.32 0.19 0.00 -0.56 0.00 0.00 46.19 44.37 1vle s LEU 735 CO 0.02 0.22 0.39 -1.54 -1.06 0.00 0.00 176.35 174.38 1vle n SER 736 N 1.32 -0.31 -3.16 1.48 3.41 -1.26 -2.77 113.62 112.33 1vle n SER 736 Ca -0.17 -2.46 -0.19 0.00 -0.26 0.00 0.00 58.87 55.79 1vle n SER 736 Cb 0.52 -0.57 0.17 0.00 -0.26 0.00 0.00 64.21 64.07 1vle n SER 736 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1vle n PRO 737 N 2.46 -2.79 -2.43 4.33 -0.02 -1.26 -3.73 135.00 131.56 1vle n PRO 737 Ca 0.28 -1.05 -0.41 0.00 -2.02 0.00 0.00 63.50 60.30 1vle n PRO 737 Cb 0.49 -1.08 -0.04 0.00 -0.02 0.00 0.00 33.50 32.85 1vle n PRO 737 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1vle s HIS 738 N -2.09 3.50 0.23 6.00 3.76 -1.26 -1.01 115.29 124.42 1vle s HIS 738 Ca 0.44 1.60 -0.31 0.00 -0.15 0.00 0.00 55.06 56.64 1vle s HIS 738 Cb -0.05 -3.35 -0.14 0.00 1.11 0.00 0.00 32.58 30.15 1vle s HIS 738 CO 0.35 -0.81 1.37 -0.35 -0.85 0.00 0.00 174.74 174.45 1vle n PRO 739 N 1.57 1.91 -0.11 8.40 -0.04 -1.26 -4.85 135.00 140.61 1vle n PRO 739 Ca 0.01 0.68 -0.12 0.00 -0.04 0.00 0.00 63.50 64.02 1vle n PRO 739 Cb 0.45 -2.31 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 1vle n PRO 739 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1vle h ARG 740 N 4.10 0.74 -0.81 0.54 9.65 -1.93 -3.31 114.38 123.36 1vle h ARG 740 Ca -0.45 -0.34 -0.52 0.00 -1.10 0.00 0.00 59.98 57.58 1vle h ARG 740 Cb 1.29 -0.01 -0.29 0.00 -1.39 0.00 0.00 29.97 29.56 1vle h ARG 740 CO 0.75 0.95 0.25 1.19 2.80 0.00 0.00 179.97 185.90 1vle n PHE 741 N -4.30 2.65 -3.62 2.20 3.01 -1.26 -4.85 117.46 111.29 1vle n PHE 741 Ca -0.02 -2.36 -0.09 0.00 1.01 0.00 0.00 57.45 55.98 1vle n PHE 741 Cb 0.42 -0.92 -0.06 0.00 -0.01 0.00 0.00 39.48 38.91 1vle n PHE 741 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1vle s SER 742 N -2.31 -0.39 -1.07 4.37 0.15 -1.25 -4.37 113.70 108.83 1vle s SER 742 Ca 0.56 0.68 -0.19 0.00 0.70 0.00 0.00 55.95 57.70 1vle s SER 742 Cb 0.46 0.66 0.10 0.00 -1.71 0.00 0.00 66.02 65.53 1vle s SER 742 CO 0.02 -0.19 1.39 -0.32 1.20 0.00 0.00 173.24 175.34 1vle s MET 743 N -0.15 3.74 6.41 5.44 1.75 -1.13 -4.45 119.30 130.90 1vle s MET 743 Ca 0.02 -1.71 0.00 0.00 -1.25 0.00 0.00 55.69 52.75 1vle s MET 743 Cb -0.04 -5.20 0.00 0.00 2.84 0.00 0.00 34.83 32.43 1vle s MET 743 CO -0.05 -2.00 0.00 0.72 -0.65 0.00 0.00 175.02 173.04 1vle n HIS 744 N 7.52 0.00 0.25 4.11 8.25 -1.26 -1.30 115.22 132.80 1vle n HIS 744 Ca 0.33 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.94 1vle n HIS 744 Cb 0.48 0.00 0.55 0.00 1.12 0.00 0.00 29.99 32.15 1vle n HIS 744 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1vle h THR 745 N 0.00 0.15 -0.71 1.59 1.35 -1.89 -3.40 112.91 110.00 1vle h THR 745 Ca 0.00 -0.75 -0.60 0.00 -0.55 0.00 0.00 66.41 64.51 1vle h THR 745 Cb 0.00 1.65 -0.07 0.00 -1.73 0.00 0.00 68.15 68.01 1vle h THR 745 CO 0.00 0.06 1.98 0.23 -0.25 0.00 0.00 175.52 177.54 1vle n MET 746 N -3.17 2.78 0.00 4.72 2.81 -0.42 -3.13 117.12 120.71 1vle n MET 746 Ca 0.01 -3.04 0.00 0.00 -1.81 0.00 0.00 57.70 52.86 1vle n MET 746 Cb 0.37 -3.54 0.00 0.00 -0.71 0.00 0.00 33.22 29.34 1vle n MET 746 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1vle n GLY 747 N 5.42 1.40 3.79 3.03 0.00 -1.26 -2.85 105.19 114.72 1vle n GLY 747 Ca 0.48 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 1vle n GLY 747 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vle s ASP 748 N 0.00 4.52 0.81 1.61 2.15 -1.18 -4.66 116.67 119.92 1vle s ASP 748 Ca 0.00 1.42 0.00 0.00 0.43 0.00 0.00 52.55 54.40 1vle s ASP 748 Cb 0.00 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 1vle s ASP 748 CO 0.00 -1.96 0.00 0.61 -0.17 0.00 0.00 175.17 173.65 1vle n GLY 749 N -1.90 1.94 2.20 2.66 0.00 -1.26 -4.78 105.19 104.04 1vle n GLY 749 Ca 0.07 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.59 1vle n GLY 749 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vle n LYS 750 N 7.80 -1.66 -2.86 1.61 5.02 -1.26 -0.51 118.16 126.29 1vle n LYS 750 Ca 0.00 0.42 -0.21 0.00 -2.02 0.00 0.00 58.31 56.50 1vle n LYS 750 Cb 0.00 -4.24 0.01 0.00 -0.02 0.00 0.00 35.03 30.78 1vle n LYS 750 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1vle n ASN 751 N 0.44 -5.39 -4.82 4.39 5.15 -1.26 -4.31 115.26 109.46 1vle n ASN 751 Ca -0.05 -0.18 -0.29 0.00 -0.60 0.00 0.00 54.58 53.46 1vle n ASN 751 Cb 0.30 -4.42 0.11 0.00 -0.53 0.00 0.00 39.78 35.24 1vle n ASN 751 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1vle s SER 752 N -2.47 4.07 0.37 1.20 1.04 0.33 -4.92 113.70 113.33 1vle s SER 752 Ca 0.21 1.02 0.12 0.00 0.48 0.00 0.00 55.95 57.78 1vle s SER 752 Cb -0.10 -1.63 0.73 0.00 0.10 0.00 0.00 66.02 65.12 1vle s SER 752 CO 0.26 -2.20 1.84 1.88 0.98 0.00 0.00 173.24 176.00 1vle h TYR 753 N -1.26 0.08 -0.03 5.02 0.05 -1.87 -2.92 116.97 116.04 1vle h TYR 753 Ca -0.48 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.29 1vle h TYR 753 Cb 1.31 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 39.03 1vle h TYR 753 CO 0.35 0.38 0.13 0.52 -1.05 0.00 0.00 178.16 178.49 1vle h MET 754 N 0.06 0.00 0.00 4.88 2.86 -1.88 -1.27 114.93 119.58 1vle h MET 754 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1vle h MET 754 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1vle h MET 754 CO 0.04 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.10 1vle n ASN 755 N -3.20 0.54 -0.40 1.22 3.02 -1.10 -2.11 115.26 113.23 1vle n ASN 755 Ca -0.02 0.63 0.13 0.00 -0.03 0.00 0.00 54.58 55.29 1vle n ASN 755 Cb 0.20 -0.75 0.28 0.00 -0.61 0.00 0.00 39.78 38.91 1vle n ASN 755 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1vle n TYR 756 N -2.09 0.00 -2.06 3.10 4.02 -0.48 -4.40 117.16 115.25 1vle n TYR 756 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 1vle n TYR 756 Cb 0.22 -0.06 -0.03 0.00 -0.02 0.00 0.00 39.34 39.44 1vle n TYR 756 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1vle s ILE 757 N -2.38 3.15 0.22 -0.72 1.01 -0.90 -4.91 121.20 116.67 1vle s ILE 757 Ca 0.25 0.74 -0.09 0.00 0.00 0.00 0.00 60.65 61.55 1vle s ILE 757 Cb 0.19 -3.47 0.22 0.00 0.01 0.00 0.00 42.46 39.41 1vle s ILE 757 CO 0.49 0.03 1.67 0.11 0.00 0.00 0.00 174.94 177.24 1vle h LYS 758 N 7.35 0.15 -0.62 2.79 1.57 -1.90 -1.48 116.57 124.44 1vle h LYS 758 Ca -0.42 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1vle h LYS 758 Cb 1.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1vle h LYS 758 CO 0.90 0.10 0.00 -3.47 -0.57 0.00 0.00 179.45 176.41 1vle n ASP 759 N -5.25 2.77 -0.08 0.86 2.03 -1.26 -4.17 116.55 111.44 1vle n ASP 759 Ca 0.11 -2.27 -0.15 0.00 0.52 0.00 0.00 54.79 52.99 1vle n ASP 759 Cb 0.39 -0.45 -0.05 0.00 -0.72 0.00 0.00 41.12 40.29 1vle n ASP 759 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1vle n HIS 760 N 0.42 0.00 -3.93 -0.67 -0.00 -0.57 -4.96 115.22 105.50 1vle n HIS 760 Ca 0.13 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.21 1vle n HIS 760 Cb 0.55 -0.57 -0.11 0.00 -0.12 0.00 0.00 29.99 29.74 1vle n HIS 760 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1vle s ARG 761 N -2.48 0.35 -0.17 1.57 0.52 -1.15 -3.97 118.95 113.62 1vle s ARG 761 Ca -0.25 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 1vle s ARG 761 Cb 0.08 0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.68 1vle s ARG 761 CO 0.33 -0.07 -0.16 0.08 0.02 0.00 0.00 175.30 175.50 1vle s VAL 762 N -1.30 2.52 -0.09 3.52 1.01 -0.40 -4.62 120.40 121.05 1vle s VAL 762 Ca -0.14 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 1vle s VAL 762 Cb -0.08 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1vle s VAL 762 CO -0.00 0.51 0.92 -0.70 0.00 0.00 0.00 175.10 175.83 1vle s GLU 763 N 0.99 4.43 -0.07 2.72 2.12 -1.26 -0.95 118.70 126.68 1vle s GLU 763 Ca -0.02 1.24 -0.02 0.00 0.36 0.00 0.00 54.97 56.53 1vle s GLU 763 Cb -0.15 -3.51 0.03 0.00 0.26 0.00 0.00 34.13 30.76 1vle s GLU 763 CO -0.03 -0.19 0.01 0.08 -0.54 0.00 0.00 175.26 174.59 1vle s VAL 764 N 1.60 0.29 -1.42 3.70 1.01 0.32 -4.82 120.40 121.08 1vle s VAL 764 Ca 0.45 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.49 1vle s VAL 764 Cb -0.19 -0.49 0.04 0.00 0.00 0.00 0.00 36.38 35.75 1vle s VAL 764 CO 0.19 0.22 0.96 0.47 0.00 0.00 0.00 175.10 176.94 1vle n ASP 765 N 5.17 -4.01 0.00 3.32 8.00 -1.26 -1.83 116.55 125.95 1vle n ASP 765 Ca -0.06 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1vle n ASP 765 Cb 0.50 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.35 1vle n ASP 765 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vle n GLY 766 N -1.69 0.59 3.21 0.44 0.00 -1.26 -5.02 105.19 101.47 1vle n GLY 766 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1vle n GLY 766 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vle s TYR 767 N -2.54 2.28 -0.55 1.61 5.04 -0.76 -5.09 117.35 117.34 1vle s TYR 767 Ca 0.00 -0.79 -0.22 0.00 -2.44 0.00 0.00 57.07 53.62 1vle s TYR 767 Cb 0.00 -1.52 0.05 0.00 0.35 0.00 0.00 41.96 40.84 1vle s TYR 767 CO 0.00 -0.29 0.83 0.15 -1.34 0.00 0.00 175.55 174.90 1vle s LYS 768 N 0.11 3.22 0.31 4.97 1.02 -1.26 -0.52 119.74 127.58 1vle s LYS 768 Ca -0.10 -0.60 -0.08 0.00 0.02 0.00 0.00 55.97 55.21 1vle s LYS 768 Cb -0.15 -4.10 -0.06 0.00 -0.52 0.00 0.00 37.83 33.00 1vle s LYS 768 CO 0.05 -1.45 0.62 0.71 -0.92 0.00 0.00 175.35 174.37 1vle s TYR 769 N 3.47 3.45 0.43 3.18 1.51 -0.13 -4.80 117.35 124.47 1vle s TYR 769 Ca 0.23 0.84 -0.23 0.00 -1.01 0.00 0.00 57.07 56.90 1vle s TYR 769 Cb -0.16 -2.26 -0.08 0.00 -0.11 0.00 0.00 41.96 39.35 1vle s TYR 769 CO 0.15 0.12 1.08 -0.46 -1.11 0.00 0.00 175.55 175.33 1vle s TRP 770 N -2.09 3.11 0.07 2.71 -0.11 -1.26 -1.27 118.94 120.10 1vle s TRP 770 Ca 0.47 1.60 -0.10 0.00 1.22 0.00 0.00 56.10 59.29 1vle s TRP 770 Cb -0.11 -3.20 -0.06 0.00 -1.50 0.00 0.00 33.47 28.61 1vle s TRP 770 CO 0.27 -0.92 0.41 0.42 -4.62 0.00 0.00 176.95 172.51 1vle s ILE 771 N -1.67 5.08 -0.07 5.86 1.01 -1.26 -0.76 121.20 129.40 1vle s ILE 771 Ca 0.61 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.77 1vle s ILE 771 Cb -0.23 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.61 1vle s ILE 771 CO 0.29 0.32 -0.05 -0.32 0.00 0.00 0.00 174.94 175.17 1vle s MET 772 N -1.83 1.02 -0.08 2.79 -2.45 -0.89 -4.46 119.30 113.40 1vle s MET 772 Ca 0.32 -0.11 -0.21 0.00 -1.25 0.00 0.00 55.69 54.44 1vle s MET 772 Cb -0.14 -1.11 -0.04 0.00 1.25 0.00 0.00 34.83 34.79 1vle s MET 772 CO 0.18 -0.17 0.58 1.03 1.05 0.00 0.00 175.02 177.69 1vle s ARG 773 N 1.36 4.37 -0.03 4.11 0.52 0.17 -1.29 118.95 128.16 1vle s ARG 773 Ca -0.03 0.66 0.04 0.00 -0.52 0.00 0.00 55.73 55.88 1vle s ARG 773 Cb -0.14 -3.43 -0.00 0.00 0.52 0.00 0.00 34.95 31.91 1vle s ARG 773 CO -0.03 0.15 -0.14 0.08 0.02 0.00 0.00 175.30 175.39 1vle s VAL 774 N 0.56 1.15 0.24 3.52 1.01 -0.31 -1.82 120.40 124.76 1vle s VAL 774 Ca 0.31 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 1vle s VAL 774 Cb -0.17 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.12 1vle s VAL 774 CO 0.14 0.34 1.32 0.21 0.00 0.00 0.00 175.10 177.11 1vle s ASN 775 N 0.08 6.85 0.30 3.32 3.84 -1.26 -0.12 114.94 127.95 1vle s ASN 775 Ca -0.03 2.50 -0.00 0.00 0.21 0.00 0.00 52.86 55.54 1vle s ASN 775 Cb -0.10 -2.62 0.69 0.00 -0.55 0.00 0.00 41.25 38.66 1vle s ASN 775 CO 0.01 -0.54 1.58 0.77 -2.79 0.00 0.00 177.10 176.13 1vle h SER 776 N 4.78 -0.51 -0.68 -4.21 4.64 -1.73 0.36 113.55 116.18 1vle h SER 776 Ca -0.46 0.27 0.03 0.00 -0.47 0.00 0.00 61.79 61.16 1vle h SER 776 Cb 1.22 0.49 -0.04 0.00 -0.31 0.00 0.00 62.40 63.75 1vle h SER 776 CO 0.74 -0.33 0.42 0.40 -0.87 0.00 0.00 176.83 177.19 1vle h ILE 777 N 0.02 1.08 -0.23 0.95 2.04 -1.91 0.11 117.51 119.58 1vle h ILE 777 Ca 0.57 -0.28 -0.18 0.00 1.00 0.00 0.00 64.86 65.96 1vle h ILE 777 Cb 1.12 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1vle h ILE 777 CO -0.91 0.15 -0.60 0.44 0.00 0.00 0.00 178.15 177.24 1vle h ASP 778 N 0.83 0.84 -0.34 1.72 3.32 -1.36 -2.36 116.42 119.05 1vle h ASP 778 Ca 0.28 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1vle h ASP 778 Cb 0.03 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1vle h ASP 778 CO -0.11 1.24 0.17 0.00 -1.72 0.00 0.00 179.24 178.82 1vle h ALA 779 N 0.77 0.44 -0.86 3.45 0.00 -0.79 -3.03 119.26 119.24 1vle h ALA 779 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1vle h ALA 779 Cb 1.19 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1vle h ALA 779 CO 0.12 -0.01 0.45 1.49 0.00 0.00 0.00 179.25 181.30 1vle h GLU 780 N 0.42 1.22 0.00 0.00 4.22 -0.75 0.75 114.58 120.44 1vle h GLU 780 Ca 0.12 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1vle h GLU 780 Cb 0.10 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1vle h GLU 780 CO -0.02 0.91 0.00 0.00 -2.18 0.00 0.00 179.01 177.72 1vle h ALA 781 N 1.24 1.00 -0.15 2.92 0.00 -1.31 -2.10 119.26 120.87 1vle h ALA 781 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1vle h ALA 781 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1vle h ALA 781 CO -0.04 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.75 1vle n ARG 782 N -2.55 1.80 -2.17 0.00 1.74 -0.87 -4.98 116.66 109.64 1vle n ARG 782 Ca 0.00 -1.52 -0.14 0.00 -0.77 0.00 0.00 57.85 55.43 1vle n ARG 782 Cb 0.19 -1.17 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 1vle n ARG 782 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vle n GLY 783 N 0.28 -0.02 3.75 -0.13 0.00 -0.50 -4.59 105.19 103.98 1vle n GLY 783 Ca 0.07 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1vle n GLY 783 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vle s ILE 784 N -2.66 5.20 0.22 -0.61 1.01 0.25 -4.96 121.20 119.64 1vle s ILE 784 Ca 0.00 0.77 0.10 0.00 0.00 0.00 0.00 60.65 61.52 1vle s ILE 784 Cb 0.00 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 1vle s ILE 784 CO 0.00 0.40 -0.19 -0.54 0.00 0.00 0.00 174.94 174.61 1vle s LYS 785 N 0.21 1.46 0.07 2.79 1.02 -1.26 -4.16 119.74 119.86 1vle s LYS 785 Ca 0.22 -1.59 -0.37 0.00 0.02 0.00 0.00 55.97 54.25 1vle s LYS 785 Cb -0.15 -1.51 -0.16 0.00 -0.52 0.00 0.00 37.83 35.49 1vle s LYS 785 CO 0.08 0.29 1.38 0.09 -0.92 0.00 0.00 175.35 176.28 1vle n ASN 786 N -0.17 1.78 0.00 2.83 5.03 -1.26 -1.05 115.26 122.42 1vle n ASN 786 Ca -0.09 1.11 0.00 0.00 0.87 0.00 0.00 54.58 56.47 1vle n ASN 786 Cb 0.59 -1.20 0.00 0.00 -1.02 0.00 0.00 39.78 38.14 1vle n ASN 786 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1vle n GLY 787 N 2.68 2.86 3.77 7.41 0.00 0.08 -5.00 105.19 117.00 1vle n GLY 787 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1vle n GLY 787 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vle s ASP 788 N -1.41 6.23 -0.04 1.61 1.01 -0.22 -4.54 116.67 119.30 1vle s ASP 788 Ca 0.00 2.91 -0.28 0.00 0.71 0.00 0.00 52.55 55.90 1vle s ASP 788 Cb 0.00 -2.66 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 1vle s ASP 788 CO 0.00 -0.93 0.90 -0.76 0.21 0.00 0.00 175.17 174.59 1vle s LEU 789 N -2.32 4.32 0.30 1.23 1.43 -1.26 -0.77 118.68 121.62 1vle s LEU 789 Ca 0.56 1.49 0.06 0.00 -1.03 0.00 0.00 54.13 55.21 1vle s LEU 789 Cb -0.44 -3.42 -0.06 0.00 0.03 0.00 0.00 46.19 42.30 1vle s LEU 789 CO 0.58 -0.26 -0.03 0.27 0.23 0.00 0.00 176.35 177.14 1vle s ILE 790 N 1.20 1.61 -0.22 -0.59 -4.36 0.13 -1.15 121.20 117.82 1vle s ILE 790 Ca 0.47 -2.09 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 1vle s ILE 790 Cb -0.19 -2.59 0.04 0.00 1.25 0.00 0.00 42.46 40.97 1vle s ILE 790 CO 0.23 -0.20 -0.14 -0.60 0.24 0.00 0.00 174.94 174.46 1vle s ARG 791 N -3.75 2.63 -0.14 0.37 3.52 0.09 -0.74 118.95 120.93 1vle s ARG 791 Ca 0.32 -1.08 -0.12 0.00 -0.13 0.00 0.00 55.73 54.72 1vle s ARG 791 Cb 0.05 -2.76 -0.05 0.00 -1.56 0.00 0.00 34.95 30.63 1vle s ARG 791 CO 0.13 -0.40 0.24 0.00 -0.81 0.00 0.00 175.30 174.47 1vle s ALA 792 N 1.21 3.68 0.25 6.12 0.00 -0.60 -2.37 121.76 130.04 1vle s ALA 792 Ca -0.02 -0.51 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 1vle s ALA 792 Cb -0.17 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1vle s ALA 792 CO -0.08 0.25 0.54 1.52 0.00 0.00 0.00 175.76 177.98 1vle s TYR 793 N -0.00 0.21 0.00 0.00 -0.85 0.25 -1.28 117.35 115.67 1vle s TYR 793 Ca 0.15 -0.60 0.00 0.00 -0.52 0.00 0.00 57.07 56.11 1vle s TYR 793 Cb -0.13 0.32 0.00 0.00 0.38 0.00 0.00 41.96 42.54 1vle s TYR 793 CO 0.04 -1.05 0.00 0.27 -1.52 0.00 0.00 175.55 173.29 1vle n ASN 794 N -0.40 0.00 0.24 -0.18 0.23 -1.04 -1.43 115.26 112.69 1vle n ASN 794 Ca -0.02 -0.33 0.09 0.00 -0.53 0.00 0.00 54.58 53.78 1vle n ASN 794 Cb 0.61 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.93 1vle n ASN 794 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1vle h ASP 795 N 0.00 0.00 1.07 0.53 3.32 -1.95 -3.14 116.42 116.25 1vle h ASP 795 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1vle h ASP 795 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1vle h ASP 795 CO 0.00 0.16 -0.62 0.03 -1.72 0.00 0.00 179.24 177.09 1vle h ARG 796 N 0.00 0.00 0.00 3.56 3.08 -1.89 -3.49 114.38 115.64 1vle h ARG 796 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vle h ARG 796 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1vle h ARG 796 CO 0.02 0.62 0.00 0.41 -1.07 0.00 0.00 179.97 179.95 1vle n GLY 797 N 0.86 -1.18 2.88 0.04 0.00 -1.19 -4.77 105.19 101.84 1vle n GLY 797 Ca 0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.84 1vle n GLY 797 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vle s SER 798 N -4.00 0.31 -0.09 1.61 0.01 -1.26 -2.48 113.70 107.80 1vle s SER 798 Ca 0.00 -0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.24 1vle s SER 798 Cb 0.00 -0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.16 1vle s SER 798 CO 0.00 -0.02 -0.11 -0.69 0.41 0.00 0.00 173.24 172.83 1vle s VAL 799 N 0.31 1.16 -0.20 3.43 1.01 -0.41 -1.74 120.40 123.95 1vle s VAL 799 Ca -0.03 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 1vle s VAL 799 Cb -0.05 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1vle s VAL 799 CO -0.01 0.37 0.66 -0.63 0.00 0.00 0.00 175.10 175.50 1vle s ILE 800 N 1.03 4.99 0.28 2.22 1.09 0.32 -1.56 121.20 129.58 1vle s ILE 800 Ca -0.07 1.25 0.02 0.00 -1.10 0.00 0.00 60.65 60.74 1vle s ILE 800 Cb -0.15 -3.97 -0.06 0.00 -1.06 0.00 0.00 42.46 37.23 1vle s ILE 800 CO -0.01 0.08 0.08 -0.76 -0.10 0.00 0.00 174.94 174.24 1vle s LEU 801 N 2.04 1.82 -0.24 2.97 1.43 0.08 -4.57 118.68 122.21 1vle s LEU 801 Ca 0.30 -1.38 -0.09 0.00 -1.03 0.00 0.00 54.13 51.93 1vle s LEU 801 Cb -0.16 -0.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.91 1vle s LEU 801 CO 0.10 -0.69 0.12 0.00 0.23 0.00 0.00 176.35 176.12 1vle s ALA 802 N -3.60 3.43 0.27 4.21 0.00 0.06 0.20 121.76 126.33 1vle s ALA 802 Ca 0.37 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 1vle s ALA 802 Cb 0.08 -2.20 -0.09 0.00 0.00 0.00 0.00 23.12 20.91 1vle s ALA 802 CO 0.14 -0.25 1.10 0.00 0.00 0.00 0.00 175.76 176.75 1vle s ALA 803 N 1.18 3.41 -0.32 0.00 0.00 0.05 -2.10 121.76 123.98 1vle s ALA 803 Ca 0.06 0.89 0.02 0.00 0.00 0.00 0.00 51.96 52.93 1vle s ALA 803 Cb -0.14 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.74 1vle s ALA 803 CO 0.05 -0.17 0.06 -1.14 0.00 0.00 0.00 175.76 174.56 1vle s GLN 804 N -1.28 1.17 0.16 0.00 0.74 -0.41 -0.74 119.66 119.30 1vle s GLN 804 Ca 0.45 -1.47 -0.30 0.00 0.05 0.00 0.00 55.36 54.09 1vle s GLN 804 Cb -0.32 -2.65 -0.08 0.00 1.10 0.00 0.00 33.01 31.06 1vle s GLN 804 CO 0.40 -0.93 1.30 0.08 -0.55 0.00 0.00 175.29 175.59 1vle s VAL 805 N 1.24 3.39 0.27 1.34 1.01 -1.26 -1.16 120.40 125.22 1vle s VAL 805 Ca 0.09 1.08 -0.11 0.00 0.00 0.00 0.00 61.98 63.05 1vle s VAL 805 Cb -0.18 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 1vle s VAL 805 CO -0.15 0.13 0.47 0.28 0.00 0.00 0.00 175.10 175.83 1vle s THR 806 N 0.48 0.00 -0.75 3.92 -1.32 0.83 -4.89 115.64 113.91 1vle s THR 806 Ca 0.59 -1.45 0.11 0.00 -1.21 0.00 0.00 61.69 59.72 1vle s THR 806 Cb -0.35 -2.32 -0.06 0.00 -1.51 0.00 0.00 72.50 68.26 1vle s THR 806 CO 0.35 0.00 0.56 -0.62 -2.21 0.00 0.00 174.62 172.70 1vle n GLU 807 N -0.41 2.78 0.00 7.08 -0.58 -1.26 -1.90 120.64 126.35 1vle n GLU 807 Ca -0.01 -0.31 0.00 0.00 -0.42 0.00 0.00 57.16 56.42 1vle n GLU 807 Cb 0.62 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 1vle n GLU 807 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vle s LEU 809 N 0.00 0.60 0.21 0.00 1.43 -1.26 -1.97 118.68 117.69 1vle s LEU 809 Ca 0.00 0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 1vle s LEU 809 Cb 0.00 1.33 -0.08 0.00 0.03 0.00 0.00 46.19 47.47 1vle s LEU 809 CO 0.00 -0.24 1.15 -1.58 0.23 0.00 0.00 176.35 175.91 1vle s GLN 810 N -0.30 4.55 0.11 1.70 0.74 -1.26 -4.78 119.66 120.42 1vle s GLN 810 Ca -0.04 1.82 -0.36 0.00 0.05 0.00 0.00 55.36 56.83 1vle s GLN 810 Cb -0.03 -3.24 -0.17 0.00 1.10 0.00 0.00 33.01 30.67 1vle s GLN 810 CO 0.02 0.02 1.26 -2.30 -0.55 0.00 0.00 175.29 173.75 1vle n PRO 811 N 2.14 1.07 0.00 1.67 -0.02 -1.26 -1.13 135.00 137.46 1vle n PRO 811 Ca 0.03 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1vle n PRO 811 Cb 0.45 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1vle n PRO 811 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vle n GLY 812 N 2.31 0.37 3.31 -1.23 0.00 -1.26 -5.07 105.19 103.62 1vle n GLY 812 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1vle n GLY 812 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vle s THR 813 N -2.00 2.40 0.27 2.61 2.01 -0.28 -1.13 115.64 119.52 1vle s THR 813 Ca 0.00 -0.93 0.11 0.00 0.31 0.00 0.00 61.69 61.18 1vle s THR 813 Cb 0.00 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 1vle s THR 813 CO 0.00 0.56 -0.15 0.68 -0.69 0.00 0.00 174.62 175.02 1vle s VAL 814 N -0.07 2.74 0.00 3.82 -7.23 0.31 -4.33 120.40 115.65 1vle s VAL 814 Ca -0.05 -2.24 0.00 0.00 -1.81 0.00 0.00 61.98 57.88 1vle s VAL 814 Cb -0.14 -2.44 -0.00 0.00 0.56 0.00 0.00 36.38 34.36 1vle s VAL 814 CO 0.04 -0.37 -0.01 -2.28 -0.31 0.00 0.00 175.10 172.18 1vle s HIS 815 N -2.39 0.08 -0.30 2.82 5.04 -0.75 -2.58 115.29 117.20 1vle s HIS 815 Ca 0.30 -0.05 -0.12 0.00 -1.54 0.00 0.00 55.06 53.65 1vle s HIS 815 Cb -0.06 -0.05 0.13 0.00 0.04 0.00 0.00 32.58 32.64 1vle s HIS 815 CO 0.16 -0.02 0.73 0.45 -2.34 0.00 0.00 174.74 173.72 1vle s SER 816 N -0.13 -1.00 0.64 9.88 0.15 -1.11 0.44 113.70 122.56 1vle s SER 816 Ca -0.01 1.40 -0.18 0.00 0.70 0.00 0.00 55.95 57.86 1vle s SER 816 Cb -0.01 2.06 -0.01 0.00 -1.71 0.00 0.00 66.02 66.35 1vle s SER 816 CO -0.00 -0.20 1.30 -0.31 1.20 0.00 0.00 173.24 175.23 1vle s TYR 817 N 2.65 2.09 0.00 3.44 4.12 -1.26 -4.09 117.35 124.29 1vle s TYR 817 Ca -0.06 1.47 0.00 0.00 0.02 0.00 0.00 57.07 58.51 1vle s TYR 817 Cb -0.10 -3.71 0.00 0.00 -1.52 0.00 0.00 41.96 36.63 1vle s TYR 817 CO -0.19 -2.94 0.00 -0.85 0.02 0.00 0.00 175.55 171.60 1vle n GLU 818 N -1.84 0.83 -1.19 -0.62 -0.00 -0.18 -4.69 120.64 112.95 1vle n GLU 818 Ca 0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 57.16 57.25 1vle n GLU 818 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.89 1vle n GLU 818 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1vle n SER 819 N -2.71 -4.04 -4.67 -1.84 7.64 -0.11 -4.12 113.62 103.78 1vle n SER 819 Ca 0.00 0.16 -0.46 0.00 1.01 0.00 0.00 58.87 59.58 1vle n SER 819 Cb 0.00 -2.11 -0.04 0.00 -1.01 0.00 0.00 64.21 61.05 1vle n SER 819 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vle n ALA 821 N 3.38 2.73 -2.71 0.00 0.00 -1.26 -4.30 120.51 118.36 1vle n ALA 821 Ca 0.17 -0.17 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 1vle n ALA 821 Cb 0.29 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.31 1vle n ALA 821 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vle s VAL 822 N -3.08 5.08 -0.34 0.00 1.01 -1.26 -3.01 120.40 118.80 1vle s VAL 822 Ca 0.10 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 1vle s VAL 822 Cb 0.15 -3.40 0.05 0.00 0.00 0.00 0.00 36.38 33.18 1vle s VAL 822 CO 0.64 0.29 0.09 -0.47 0.00 0.00 0.00 175.10 175.64 1vle s TYR 823 N 1.62 3.29 -0.52 5.22 5.04 -1.26 -3.86 117.35 126.88 1vle s TYR 823 Ca 0.07 -1.65 0.04 0.00 -2.44 0.00 0.00 57.07 53.09 1vle s TYR 823 Cb -0.15 -2.33 0.16 0.00 0.35 0.00 0.00 41.96 39.99 1vle s TYR 823 CO 0.08 -0.78 0.38 0.34 -1.34 0.00 0.00 175.55 174.23 1vle s ASP 824 N 1.43 3.05 0.27 4.32 -1.08 -1.26 -4.79 116.67 118.60 1vle s ASP 824 Ca -0.02 -3.26 -0.29 0.00 -0.52 0.00 0.00 52.55 48.46 1vle s ASP 824 Cb -0.20 -0.96 -0.09 0.00 -1.46 0.00 0.00 42.92 40.20 1vle s ASP 824 CO 0.01 -0.16 1.20 -2.84 0.52 0.00 0.00 175.17 173.91 1vle s PRO 825 N -0.41 4.50 0.15 4.34 0.02 -1.26 -1.37 135.00 140.97 1vle s PRO 825 Ca 0.27 1.97 0.25 0.00 0.02 0.00 0.00 61.00 63.51 1vle s PRO 825 Cb -0.04 -3.16 0.62 0.00 0.02 0.00 0.00 34.50 31.93 1vle s PRO 825 CO -0.15 -0.02 1.58 1.28 -0.33 0.00 0.00 177.00 179.36 1vle n LEU 826 N 1.50 0.70 0.00 -5.54 4.77 0.17 -4.65 117.00 113.96 1vle n LEU 826 Ca 0.01 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1vle n LEU 826 Cb 0.44 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1vle n LEU 826 CO 0.56 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1vle n GLY 827 N 1.34 5.49 3.75 -0.72 0.00 -1.26 -4.95 105.19 108.84 1vle n GLY 827 Ca 0.05 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1vle n GLY 827 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vle s THR 828 N 2.31 2.96 0.26 2.61 2.01 -1.26 -4.34 115.64 120.18 1vle s THR 828 Ca 0.00 0.85 -0.31 0.00 0.31 0.00 0.00 61.69 62.54 1vle s THR 828 Cb 0.00 -3.54 -0.13 0.00 0.01 0.00 0.00 72.50 68.84 1vle s THR 828 CO 0.00 0.16 1.48 0.00 -0.69 0.00 0.00 174.62 175.56 1vle n ALA 829 N 1.94 1.63 -0.85 7.40 0.00 -1.26 -1.44 120.51 127.94 1vle n ALA 829 Ca 0.04 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1vle n ALA 829 Cb 0.42 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1vle n ALA 829 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vle n GLY 830 N 2.21 0.74 0.00 0.00 0.00 -1.26 -4.75 105.19 102.13 1vle n GLY 830 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1vle n GLY 830 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vle n LYS 831 N -2.00 0.84 -4.00 1.61 5.02 -0.52 -4.81 118.16 114.30 1vle n LYS 831 Ca 0.00 -0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 55.94 1vle n LYS 831 Cb 0.00 -0.54 -0.06 0.00 -0.02 0.00 0.00 35.03 34.41 1vle n LYS 831 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1vle n SER 832 N -0.16 1.32 -4.78 4.39 3.41 -0.87 -1.82 113.62 115.11 1vle n SER 832 Ca 0.00 -2.80 -0.37 0.00 -0.26 0.00 0.00 58.87 55.44 1vle n SER 832 Cb 0.09 0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 64.82 1vle n SER 832 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vle s ALA 833 N -2.90 3.16 -0.11 7.33 0.00 0.10 -4.67 121.76 124.67 1vle s ALA 833 Ca 0.16 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 52.85 1vle s ALA 833 Cb 0.01 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1vle s ALA 833 CO 0.11 -0.22 -0.00 0.34 0.00 0.00 0.00 175.76 175.99 1vle s ASP 834 N -1.39 5.16 0.00 0.00 2.15 -0.71 -0.65 116.67 121.23 1vle s ASP 834 Ca 0.55 0.07 0.12 0.00 0.43 0.00 0.00 52.55 53.71 1vle s ASP 834 Cb -0.25 -1.59 0.12 0.00 -0.30 0.00 0.00 42.92 40.91 1vle s ASP 834 CO 0.31 0.31 0.92 -2.11 -0.17 0.00 0.00 175.17 174.43 1vle n ARG 835 N 2.62 0.92 -0.19 4.34 1.85 -0.47 -0.52 116.66 125.21 1vle n ARG 835 Ca -0.18 -1.31 -0.10 0.00 -1.00 0.00 0.00 57.85 55.25 1vle n ARG 835 Cb 0.53 -1.23 0.01 0.00 -1.05 0.00 0.00 32.46 30.72 1vle n ARG 835 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1vle h GLY 836 N 2.25 1.13 0.00 2.89 0.00 -1.74 -3.42 103.07 104.18 1vle h GLY 836 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.42 1vle h GLY 836 CO 0.00 0.83 0.00 0.61 0.00 0.00 0.00 176.54 177.98 1vle n GLY 837 N -0.27 1.97 3.57 4.60 0.00 -1.25 -4.37 105.19 109.44 1vle n GLY 837 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1vle n GLY 837 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vle h ILE 839 N 5.59 0.76 0.00 0.00 1.08 -1.88 -1.37 117.51 121.69 1vle h ILE 839 Ca 0.41 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.86 1vle h ILE 839 Cb 0.88 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1vle h ILE 839 CO 1.43 0.01 0.00 0.59 -0.69 0.00 0.00 178.15 179.50 1vle n ASN 840 N -4.40 0.00 0.15 1.72 3.02 -1.26 -0.57 115.26 113.92 1vle n ASN 840 Ca 0.10 -0.39 0.03 0.00 -0.03 0.00 0.00 54.58 54.29 1vle n ASN 840 Cb 0.57 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.88 1vle n ASN 840 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1vle h ILE 841 N 0.00 0.96 0.00 2.41 2.04 -1.48 -1.62 117.51 119.83 1vle h ILE 841 Ca 0.00 -2.06 -0.06 0.00 1.00 0.00 0.00 64.86 63.74 1vle h ILE 841 Cb 0.00 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1vle h ILE 841 CO 0.00 0.49 -1.41 0.18 0.00 0.00 0.00 178.15 177.42 1vle n LEU 842 N -3.36 0.61 -4.77 1.44 4.77 0.27 -4.17 117.00 111.79 1vle n LEU 842 Ca 0.01 0.25 -0.36 0.00 -0.03 0.00 0.00 56.01 55.88 1vle n LEU 842 Cb 0.66 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1vle n LEU 842 CO 0.40 -0.03 0.81 0.42 -1.33 0.00 0.00 177.39 177.66 1vle s THR 843 N -3.25 3.02 0.23 -5.08 -4.23 -1.24 -4.82 115.64 100.27 1vle s THR 843 Ca -0.03 0.68 -0.30 0.00 -1.18 0.00 0.00 61.69 60.86 1vle s THR 843 Cb 0.10 -3.30 -0.09 0.00 1.34 0.00 0.00 72.50 70.55 1vle s THR 843 CO 0.83 -0.09 1.27 -2.16 -0.54 0.00 0.00 174.62 173.92 1vle s PRO 844 N -3.09 4.42 0.00 3.99 0.04 -1.26 -0.76 135.00 138.34 1vle s PRO 844 Ca 0.71 2.03 0.26 0.00 0.04 0.00 0.00 61.00 64.03 1vle s PRO 844 Cb -0.27 -3.18 0.57 0.00 0.04 0.00 0.00 34.50 31.66 1vle s PRO 844 CO 0.31 -0.17 1.46 -0.40 0.04 0.00 0.00 177.00 178.24 1vle n ASP 845 N 2.16 1.90 -4.74 6.66 3.85 -1.26 -4.43 116.55 120.69 1vle n ASP 845 Ca 0.04 -1.51 -0.41 0.00 -0.71 0.00 0.00 54.79 52.20 1vle n ASP 845 Cb 0.43 0.11 -0.03 0.00 -1.35 0.00 0.00 41.12 40.29 1vle n ASP 845 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 1vle s ARG 846 N -2.19 4.30 0.64 0.11 3.52 -1.26 -4.96 118.95 119.11 1vle s ARG 846 Ca 0.29 2.24 -0.18 0.00 -0.13 0.00 0.00 55.73 57.95 1vle s ARG 846 Cb 0.20 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.44 1vle s ARG 846 CO 0.41 -0.39 1.28 0.71 -0.81 0.00 0.00 175.30 176.49 1vle s TYR 847 N 0.15 2.11 0.36 5.12 4.12 -1.26 -4.38 117.35 123.58 1vle s TYR 847 Ca 0.60 1.49 0.15 0.00 0.02 0.00 0.00 57.07 59.33 1vle s TYR 847 Cb -0.40 -3.66 1.02 0.00 -1.52 0.00 0.00 41.96 37.40 1vle s TYR 847 CO 0.41 -2.83 1.75 0.82 0.02 0.00 0.00 175.55 175.72 1vle h ILE 848 N 0.56 0.51 -3.76 2.71 2.04 -1.28 -3.43 117.51 114.85 1vle h ILE 848 Ca -0.51 -0.16 -0.22 0.00 1.00 0.00 0.00 64.86 64.98 1vle h ILE 848 Cb 1.33 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1vle h ILE 848 CO 0.53 0.08 -0.03 -1.54 0.00 0.00 0.00 178.15 177.19 1vle n SER 849 N -4.74 -1.64 -0.28 1.72 3.41 -1.11 -4.94 113.62 106.05 1vle n SER 849 Ca 0.26 -2.84 -0.04 0.00 -0.26 0.00 0.00 58.87 56.00 1vle n SER 849 Cb 0.84 2.93 0.07 0.00 -0.26 0.00 0.00 64.21 67.80 1vle n SER 849 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1vle h LYS 850 N 0.00 0.97 0.00 4.33 3.64 -1.92 -3.25 116.57 120.35 1vle h LYS 850 Ca -0.29 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1vle h LYS 850 Cb 1.22 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1vle h LYS 850 CO 0.39 0.65 -1.01 0.66 -2.27 0.00 0.00 179.45 177.86 1vle n TYR 851 N -4.58 0.00 -2.72 1.91 4.01 -1.26 -4.75 117.16 109.77 1vle n TYR 851 Ca 0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.39 1vle n TYR 851 Cb 0.04 -0.13 -0.01 0.00 -0.31 0.00 0.00 39.34 38.93 1vle n TYR 851 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1vle s ALA 852 N -2.46 3.28 -1.40 -0.72 0.00 -1.23 -4.66 121.76 114.57 1vle s ALA 852 Ca 0.00 -2.78 -0.09 0.00 0.00 0.00 0.00 51.96 49.10 1vle s ALA 852 Cb 0.09 -4.38 -0.08 0.00 0.00 0.00 0.00 23.12 18.75 1vle s ALA 852 CO 0.50 -3.22 2.71 0.00 0.00 0.00 0.00 175.76 175.75 1vle s GLY 854 N 2.54 2.64 0.12 0.00 0.00 -1.26 -4.90 107.32 106.46 1vle s GLY 854 Ca 0.61 -1.64 -0.24 0.00 0.00 0.00 0.00 44.72 43.45 1vle s GLY 854 CO -0.05 -2.10 0.73 -3.16 0.00 0.00 0.00 173.10 168.51 1vle s MET 855 N -3.81 4.47 -0.29 2.90 0.23 -1.26 -2.22 119.30 119.31 1vle s MET 855 Ca 0.27 1.04 0.08 0.00 -1.03 0.00 0.00 55.69 56.05 1vle s MET 855 Cb 0.06 -3.28 0.48 0.00 -1.53 0.00 0.00 34.83 30.56 1vle s MET 855 CO 0.14 0.52 1.41 0.00 -2.03 0.00 0.00 175.02 175.06 1vle n ALA 856 N 1.89 4.37 -0.25 3.16 0.00 -1.26 -3.69 120.51 124.74 1vle n ALA 856 Ca -0.06 -3.28 -0.02 0.00 0.00 0.00 0.00 53.44 50.08 1vle n ALA 856 Cb 0.49 -0.65 0.04 0.00 0.00 0.00 0.00 19.45 19.33 1vle n ALA 856 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1vle h ASN 857 N 1.18 -1.04 0.00 0.00 4.21 -1.76 -3.13 115.58 115.04 1vle h ASN 857 Ca 0.21 0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.96 1vle h ASN 857 Cb 1.47 0.56 0.00 0.00 -1.12 0.00 0.00 38.32 39.24 1vle h ASN 857 CO 0.40 -0.28 0.00 0.59 -1.29 0.00 0.00 177.43 176.85 1vle n ASN 858 N -5.46 0.03 -3.66 5.81 3.02 -0.53 -3.87 115.26 110.60 1vle n ASN 858 Ca 0.07 -0.38 -0.30 0.00 -0.03 0.00 0.00 54.58 53.95 1vle n ASN 858 Cb 0.37 -0.02 -0.15 0.00 -0.61 0.00 0.00 39.78 39.38 1vle n ASN 858 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1vle s THR 859 N -1.84 0.56 -0.04 3.41 -4.23 -1.18 -4.34 115.64 107.98 1vle s THR 859 Ca 0.00 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 1vle s THR 859 Cb 0.00 -1.44 0.03 0.00 1.34 0.00 0.00 72.50 72.43 1vle s THR 859 CO 0.00 -0.71 -0.01 0.00 -0.54 0.00 0.00 174.62 173.36 1vle s ALA 860 N 1.72 0.42 -0.16 3.99 0.00 -0.98 -4.60 121.76 122.16 1vle s ALA 860 Ca 0.10 0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.97 1vle s ALA 860 Cb -0.17 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1vle s ALA 860 CO -0.28 -0.09 0.52 -0.51 0.00 0.00 0.00 175.76 175.40 1vle s LEU 861 N 1.07 4.21 0.00 0.00 1.43 -1.26 -0.77 118.68 123.35 1vle s LEU 861 Ca -0.09 0.77 0.07 0.00 -1.03 0.00 0.00 54.13 53.85 1vle s LEU 861 Cb -0.14 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 1vle s LEU 861 CO -0.01 -0.11 0.28 1.33 0.23 0.00 0.00 176.35 178.07 1vle n VAL 862 N 4.15 0.00 -3.89 -1.59 0.24 -0.63 -4.77 118.33 111.85 1vle n VAL 862 Ca -0.05 -2.32 -0.11 0.00 -2.04 0.00 0.00 64.34 59.82 1vle n VAL 862 Cb 0.51 1.16 -0.12 0.00 -1.47 0.00 0.00 33.84 33.92 1vle n VAL 862 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1vle s GLU 863 N -3.28 0.22 0.15 7.34 2.56 -0.51 -1.82 118.70 123.35 1vle s GLU 863 Ca 0.38 -0.21 0.06 0.00 0.00 0.00 0.00 54.97 55.20 1vle s GLU 863 Cb 0.02 0.09 -0.04 0.00 2.00 0.00 0.00 34.13 36.19 1vle s GLU 863 CO 0.27 -0.04 -0.13 0.96 -0.56 0.00 0.00 175.26 175.76 1vle s ILE 864 N -0.68 1.38 0.16 -3.70 -4.36 -1.26 -0.58 121.20 112.16 1vle s ILE 864 Ca -0.08 -1.91 -0.23 0.00 -0.26 0.00 0.00 60.65 58.18 1vle s ILE 864 Cb -0.05 -1.72 0.07 0.00 1.25 0.00 0.00 42.46 42.01 1vle s ILE 864 CO 0.00 -0.54 0.60 -1.83 0.24 0.00 0.00 174.94 173.42 1vle s GLU 865 N -3.14 1.30 0.25 0.37 -1.05 -1.00 -4.98 118.70 110.45 1vle s GLU 865 Ca 0.14 -0.49 -0.30 0.00 -0.15 0.00 0.00 54.97 54.16 1vle s GLU 865 Cb -0.02 0.59 -0.10 0.00 -0.44 0.00 0.00 34.13 34.15 1vle s GLU 865 CO 0.03 -0.57 1.51 0.15 0.95 0.00 0.00 175.26 177.33 1vle s LYS 866 N -3.76 4.21 0.05 -4.83 1.02 -1.26 -0.73 119.74 114.44 1vle s LYS 866 Ca 0.01 2.40 -0.30 0.00 0.02 0.00 0.00 55.97 58.10 1vle s LYS 866 Cb -0.01 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1vle s LYS 866 CO -0.12 -0.51 1.18 -0.46 -0.92 0.00 0.00 175.35 174.52 1vle s TRP 867 N 0.16 3.43 -0.89 3.18 -0.00 -0.30 -4.72 118.94 119.80 1vle s TRP 867 Ca 0.62 1.33 0.25 0.00 -0.00 0.00 0.00 56.10 58.30 1vle s TRP 867 Cb -0.44 -3.39 0.46 0.00 -0.00 0.00 0.00 33.47 30.10 1vle s TRP 867 CO 0.43 -1.17 1.39 -0.40 -0.00 0.00 0.00 176.95 177.19 1vle n ASP 868 N 4.04 0.54 0.00 5.86 5.75 -1.26 -4.93 116.55 126.55 1vle n ASP 868 Ca 0.09 -0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 1vle n ASP 868 Cb 0.47 0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 1vle n ASP 868 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vle n GLY 869 N 1.45 0.63 3.77 6.12 0.00 -1.26 -5.09 105.19 110.81 1vle n GLY 869 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1vle n GLY 869 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vle s ASP 870 N -1.94 5.93 0.00 1.61 3.68 -1.26 -4.93 116.67 119.76 1vle s ASP 870 Ca 0.00 2.37 0.27 0.00 2.13 0.00 0.00 52.55 57.32 1vle s ASP 870 Cb 0.00 -2.61 0.86 0.00 -1.45 0.00 0.00 42.92 39.73 1vle s ASP 870 CO 0.00 -1.09 1.64 2.29 0.13 0.00 0.00 175.17 178.14 1vle n LYS 871 N -0.71 0.73 -3.90 4.34 2.85 -1.26 -4.95 118.16 115.26 1vle n LYS 871 Ca 0.09 -0.39 -0.34 0.00 -1.05 0.00 0.00 58.31 56.62 1vle n LYS 871 Cb 0.48 -1.49 0.01 0.00 -0.65 0.00 0.00 35.03 33.38 1vle n LYS 871 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1vle n TYR 872 N -0.80 -1.78 -2.95 5.58 4.02 -1.26 -0.72 117.16 119.25 1vle n TYR 872 Ca 0.12 0.51 -0.44 0.00 -0.01 0.00 0.00 57.90 58.08 1vle n TYR 872 Cb 0.33 -2.81 -0.01 0.00 -0.02 0.00 0.00 39.34 36.84 1vle n TYR 872 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1vle s GLU 873 N -5.99 3.99 -0.00 -0.72 2.12 -1.26 -3.27 118.70 113.57 1vle s GLU 873 Ca 0.22 -2.43 0.00 0.00 0.36 0.00 0.00 54.97 53.12 1vle s GLU 873 Cb -0.12 -5.02 0.00 0.00 0.26 0.00 0.00 34.13 29.26 1vle s GLU 873 CO 0.93 -1.75 0.66 0.44 -0.54 0.00 0.00 175.26 175.00 1vle n ILE 874 N 4.75 0.04 0.49 -3.70 -5.35 -0.83 -4.95 119.36 109.82 1vle n ILE 874 Ca 0.34 -0.05 0.06 0.00 -0.27 0.00 0.00 62.75 62.83 1vle n ILE 874 Cb 0.44 0.83 0.05 0.00 -1.74 0.00 0.00 39.64 39.22 1vle n ILE 874 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57