#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 1.66 3.91 3.03 0.00 -1.26 -5.02 105.19 107.51 1vle n GLY 2 Ca 0.00 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.14 3.60 0.21 1.61 0.41 -1.26 -4.70 118.70 116.43 1vle s GLU 3 Ca 0.11 -0.00 -0.30 0.00 -0.41 0.00 0.00 54.97 54.37 1vle s GLU 3 Cb -0.02 -2.58 -0.08 0.00 -1.78 0.00 0.00 34.13 29.66 1vle s GLU 3 CO 0.08 0.11 1.04 0.08 -0.49 0.00 0.00 175.26 176.08 1vle s VAL 4 N -2.27 3.89 0.01 2.63 1.01 -1.26 -4.54 120.40 119.87 1vle s VAL 4 Ca 0.44 1.76 0.05 0.00 0.00 0.00 0.00 61.98 64.23 1vle s VAL 4 Cb -0.10 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1vle s VAL 4 CO 0.34 0.36 -0.16 -0.69 0.00 0.00 0.00 175.10 174.95 1vle s VAL 5 N -0.71 1.29 -0.32 2.92 1.01 0.85 -4.95 120.40 120.49 1vle s VAL 5 Ca 0.46 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 1vle s VAL 5 Cb -0.29 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1vle s VAL 5 CO 0.35 0.24 0.35 -0.60 0.00 0.00 0.00 175.10 175.44 1vle s ARG 6 N -0.71 3.71 0.47 2.72 3.52 -1.26 -0.54 118.95 126.86 1vle s ARG 6 Ca 0.05 -0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.40 1vle s ARG 6 Cb -0.07 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.54 1vle s ARG 6 CO 0.00 -0.43 0.15 -0.51 -0.81 0.00 0.00 175.30 173.70 1vle s LEU 7 N 2.00 2.72 0.16 -0.88 1.43 0.14 -4.92 118.68 119.32 1vle s LEU 7 Ca 0.12 -1.35 0.11 0.00 -1.03 0.00 0.00 54.13 51.98 1vle s LEU 7 Cb -0.16 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1vle s LEU 7 CO 0.11 -0.76 -0.25 0.42 0.23 0.00 0.00 176.35 176.11 1vle s THR 8 N -2.75 2.35 0.16 5.49 -4.23 -1.26 0.22 115.64 115.63 1vle s THR 8 Ca 0.27 -1.85 -0.18 0.00 -1.18 0.00 0.00 61.69 58.75 1vle s THR 8 Cb 0.03 -2.08 0.06 0.00 1.34 0.00 0.00 72.50 71.85 1vle s THR 8 CO 0.15 0.00 0.85 -3.20 -0.54 0.00 0.00 174.62 171.88 1vle n ASN 9 N 0.62 -1.47 -1.36 3.99 2.85 -1.05 -0.85 115.26 117.99 1vle n ASN 9 Ca -0.15 -1.79 -0.03 0.00 -0.11 0.00 0.00 54.58 52.50 1vle n ASN 9 Cb 0.54 2.40 -0.00 0.00 1.24 0.00 0.00 39.78 43.96 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 -1.19 -0.27 -3.55 1.20 2.88 -1.26 -1.27 113.62 110.15 1vle n SER 10 Ca -0.02 -1.34 -0.01 0.00 -1.33 0.00 0.00 58.87 56.17 1vle n SER 10 Cb 0.49 0.49 0.01 0.00 -0.75 0.00 0.00 64.21 64.45 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 -1.39 -0.02 0.00 -3.46 1.04 -1.03 -4.75 113.70 104.09 1vle s SER 11 Ca 0.05 -0.46 0.13 0.00 0.48 0.00 0.00 55.95 56.15 1vle s SER 11 Cb -0.00 0.36 0.67 0.00 0.10 0.00 0.00 66.02 67.15 1vle s SER 11 CO 0.04 -0.71 1.30 0.35 0.98 0.00 0.00 173.24 175.19 1vle n THR 12 N -0.72 0.52 -0.34 2.02 -2.24 -1.26 -1.51 114.28 110.74 1vle n THR 12 Ca -0.02 0.13 0.05 0.00 -2.27 0.00 0.00 64.05 61.94 1vle n THR 12 Cb 0.60 -0.92 0.11 0.00 -2.10 0.00 0.00 70.33 68.02 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 -0.20 3.29 0.00 3.38 0.00 -1.26 -3.89 105.19 106.51 1vle n GLY 13 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.23 2.74 3.77 -0.02 0.00 -0.57 -1.61 105.19 109.27 1vle n GLY 14 Ca 0.09 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.91 3.17 0.05 1.61 0.02 -1.26 -2.45 135.00 133.22 1vle s PRO 15 Ca 0.00 1.69 -0.03 0.00 0.02 0.00 0.00 61.00 62.67 1vle s PRO 15 Cb 0.00 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 1vle s PRO 15 CO 0.00 -1.02 0.04 0.14 -0.33 0.00 0.00 177.00 175.83 1vle s VAL 16 N -1.73 0.17 -0.18 3.83 -7.23 -0.40 -4.41 120.40 110.45 1vle s VAL 16 Ca 0.74 -1.42 -0.12 0.00 -1.81 0.00 0.00 61.98 59.38 1vle s VAL 16 Cb -0.26 -1.19 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 1vle s VAL 16 CO 0.30 -0.78 0.20 -0.36 -0.31 0.00 0.00 175.10 174.14 1vle s PHE 17 N -3.30 3.43 -0.19 2.82 2.99 -0.57 -2.53 117.98 120.62 1vle s PHE 17 Ca 0.01 0.44 -0.01 0.00 0.00 0.00 0.00 56.93 57.36 1vle s PHE 17 Cb 0.03 -2.24 0.00 0.00 0.00 0.00 0.00 43.02 40.82 1vle s PHE 17 CO -0.08 0.27 -0.12 0.08 -0.00 0.00 0.00 175.22 175.37 1vle s VAL 18 N 0.41 2.73 -0.26 -0.44 1.01 0.13 -1.69 120.40 122.30 1vle s VAL 18 Ca 0.11 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 1vle s VAL 18 Cb -0.12 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1vle s VAL 18 CO 0.00 0.48 0.50 -0.31 0.00 0.00 0.00 175.10 175.78 1vle s TYR 19 N 1.30 3.26 0.04 5.22 1.51 -0.80 0.26 117.35 128.14 1vle s TYR 19 Ca 0.04 0.61 0.08 0.00 -1.01 0.00 0.00 57.07 56.79 1vle s TYR 19 Cb -0.14 -2.71 -0.03 0.00 -0.11 0.00 0.00 41.96 38.98 1vle s TYR 19 CO -0.07 -0.28 -0.24 0.08 -1.11 0.00 0.00 175.55 173.94 1vle s VAL 20 N 2.29 1.90 -0.10 0.71 1.01 0.29 0.43 120.40 126.93 1vle s VAL 20 Ca 0.20 -1.25 -0.06 0.00 0.00 0.00 0.00 61.98 60.87 1vle s VAL 20 Cb -0.16 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.64 1vle s VAL 20 CO 0.09 0.32 0.25 -0.75 0.00 0.00 0.00 175.10 175.01 1vle s LYS 21 N -1.12 0.23 -1.46 2.72 2.20 -0.43 -0.10 119.74 121.79 1vle s LYS 21 Ca 0.10 0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 56.15 1vle s LYS 21 Cb -0.09 -0.04 0.02 0.00 -1.51 0.00 0.00 37.83 36.21 1vle s LYS 21 CO 0.02 -0.12 0.46 -0.25 -0.36 0.00 0.00 175.35 175.09 1vle n ASP 22 N 3.82 -0.75 -0.96 1.43 8.00 -1.26 -1.06 116.55 125.77 1vle n ASP 22 Ca -0.21 -1.01 -0.12 0.00 0.71 0.00 0.00 54.79 54.15 1vle n ASP 22 Cb 0.55 -2.97 -0.05 0.00 -0.02 0.00 0.00 41.12 38.62 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 -1.93 1.29 3.11 0.44 0.00 -1.26 -4.99 105.19 101.85 1vle n GLY 23 Ca -0.25 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.95 1.49 -0.08 1.61 2.20 -0.23 -4.70 119.74 117.08 1vle s LYS 24 Ca 0.00 -0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 54.77 1vle s LYS 24 Cb 0.00 -1.34 -0.03 0.00 -1.51 0.00 0.00 37.83 34.95 1vle s LYS 24 CO 0.00 0.25 1.24 0.42 -0.36 0.00 0.00 175.35 176.89 1vle s ILE 25 N -0.05 4.21 -0.15 5.43 1.01 -1.26 -1.31 121.20 129.08 1vle s ILE 25 Ca -0.01 1.53 -0.12 0.00 0.00 0.00 0.00 60.65 62.05 1vle s ILE 25 Cb -0.09 -3.98 -0.24 0.00 0.01 0.00 0.00 42.46 38.16 1vle s ILE 25 CO 0.01 -0.04 0.31 -0.38 0.00 0.00 0.00 174.94 174.85 1vle n ILE 26 N 4.81 1.70 -3.69 2.92 5.41 0.17 -4.97 119.36 125.71 1vle n ILE 26 Ca 0.12 -0.44 -0.08 0.00 1.00 0.00 0.00 62.75 63.35 1vle n ILE 26 Cb 0.46 -1.84 -0.02 0.00 -0.71 0.00 0.00 39.64 37.52 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 -2.49 1.49 -0.03 0.38 1.70 -1.22 -5.02 118.95 113.77 1vle s ARG 27 Ca -0.25 -0.75 0.02 0.00 -0.47 0.00 0.00 55.73 54.29 1vle s ARG 27 Cb 0.06 0.56 0.01 0.00 -0.57 0.00 0.00 34.95 35.01 1vle s ARG 27 CO 0.71 -0.67 -0.07 -1.64 -1.08 0.00 0.00 175.30 172.55 1vle s MET 28 N -3.73 0.78 0.16 3.89 -1.94 -1.26 -1.90 119.30 115.30 1vle s MET 28 Ca 0.08 -0.21 -0.02 0.00 -1.71 0.00 0.00 55.69 53.83 1vle s MET 28 Cb -0.04 -0.75 -0.04 0.00 2.01 0.00 0.00 34.83 36.02 1vle s MET 28 CO -0.01 0.06 0.11 0.95 -0.01 0.00 0.00 175.02 176.12 1vle s THR 29 N 0.33 0.06 1.03 2.05 -4.23 -0.68 -4.95 115.64 109.24 1vle s THR 29 Ca -0.04 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 58.44 1vle s THR 29 Cb -0.09 -2.21 0.21 0.00 1.34 0.00 0.00 72.50 71.75 1vle s THR 29 CO 0.00 -0.26 1.08 -2.84 -0.54 0.00 0.00 174.62 172.05 1vle s PRO 30 N -4.09 0.17 -0.21 3.99 0.02 -1.26 -1.52 135.00 132.10 1vle s PRO 30 Ca 0.29 0.64 -0.09 0.00 0.02 0.00 0.00 61.00 61.86 1vle s PRO 30 Cb 0.07 -1.70 -0.05 0.00 0.02 0.00 0.00 34.50 32.85 1vle s PRO 30 CO 0.06 -2.94 0.11 -1.64 -0.33 0.00 0.00 177.00 172.27 1vle s MET 31 N -4.83 4.02 -0.17 5.54 -1.94 -1.26 -4.47 119.30 116.19 1vle s MET 31 Ca 0.66 -0.30 -0.19 0.00 -1.71 0.00 0.00 55.69 54.14 1vle s MET 31 Cb -0.20 -3.39 -0.03 0.00 2.01 0.00 0.00 34.83 33.21 1vle s MET 31 CO 0.59 0.15 0.54 -0.51 -0.01 0.00 0.00 175.02 175.79 1vle s ASP 32 N 0.76 6.65 0.58 3.03 1.01 -1.26 -0.94 116.67 126.50 1vle s ASP 32 Ca 0.06 0.78 -0.15 0.00 0.71 0.00 0.00 52.55 53.95 1vle s ASP 32 Cb -0.13 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 1vle s ASP 32 CO 0.02 -0.15 1.03 -0.36 0.21 0.00 0.00 175.17 175.92 1vle s PHE 33 N 1.36 3.19 -0.40 4.23 2.99 -0.78 -5.01 117.98 123.57 1vle s PHE 33 Ca 0.26 1.48 -0.02 0.00 0.00 0.00 0.00 56.93 58.65 1vle s PHE 33 Cb -0.16 -2.91 0.11 0.00 0.00 0.00 0.00 43.02 40.06 1vle s PHE 33 CO 0.11 -0.84 0.19 0.34 -0.00 0.00 0.00 175.22 175.01 1vle s ASP 34 N -3.04 5.22 0.30 1.36 -1.08 -1.26 -4.97 116.67 113.19 1vle s ASP 34 Ca 0.61 -2.00 0.17 0.00 -0.52 0.00 0.00 52.55 50.81 1vle s ASP 34 Cb -0.13 -1.81 0.92 0.00 -1.46 0.00 0.00 42.92 40.43 1vle s ASP 34 CO 0.37 -0.52 1.47 0.47 0.52 0.00 0.00 175.17 177.49 1vle n ASP 35 N 4.58 0.44 0.12 -0.34 8.00 -1.26 0.37 116.55 128.45 1vle n ASP 35 Ca -0.02 0.66 -0.01 0.00 0.71 0.00 0.00 54.79 56.13 1vle n ASP 35 Cb 0.41 -0.68 0.08 0.00 -0.02 0.00 0.00 41.12 40.91 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 1.69 0.71 0.00 2.24 0.00 -2.01 -3.38 119.26 118.52 1vle h ALA 36 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1vle h ALA 36 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1vle h ALA 36 CO 0.00 0.84 -0.31 1.33 0.00 0.00 0.00 179.25 181.11 1vle n VAL 37 N -3.48 0.00 -3.66 0.00 0.24 0.02 -5.02 118.33 106.43 1vle n VAL 37 Ca 0.00 -0.22 -0.37 0.00 -2.04 0.00 0.00 64.34 61.70 1vle n VAL 37 Cb 0.73 0.75 -0.11 0.00 -1.47 0.00 0.00 33.84 33.73 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 -1.06 5.81 0.46 -1.34 1.01 0.16 -4.97 116.67 116.73 1vle s ASP 38 Ca 0.00 -0.04 -0.21 0.00 0.71 0.00 0.00 52.55 53.02 1vle s ASP 38 Cb 0.00 -2.07 -0.13 0.00 1.01 0.00 0.00 42.92 41.74 1vle s ASP 38 CO 0.00 -0.02 0.34 0.00 0.21 0.00 0.00 175.17 175.69 1vle n ALA 39 N 4.86 -2.02 -1.13 5.23 0.00 -1.26 -4.55 120.51 121.65 1vle n ALA 39 Ca -0.15 0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 1vle n ALA 39 Cb 0.52 -1.66 0.12 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.45 1.67 0.67 0.00 0.02 -1.26 -4.95 135.00 129.69 1vle s PRO 40 Ca 0.62 1.75 -0.06 0.00 0.02 0.00 0.00 61.00 63.34 1vle s PRO 40 Cb -0.57 -1.78 0.04 0.00 0.02 0.00 0.00 34.50 32.22 1vle s PRO 40 CO 0.60 -2.19 0.98 -1.12 -0.33 0.00 0.00 177.00 174.93 1vle s SER 41 N -2.16 5.06 0.79 2.53 0.01 -1.26 -4.23 113.70 114.45 1vle s SER 41 Ca 0.73 0.52 -0.12 0.00 1.31 0.00 0.00 55.95 58.40 1vle s SER 41 Cb -0.29 -1.28 0.07 0.00 0.21 0.00 0.00 66.02 64.73 1vle s SER 41 CO 0.50 -1.43 1.12 -1.66 0.41 0.00 0.00 173.24 172.18 1vle s TRP 42 N -3.16 2.93 0.01 2.43 1.48 -1.26 -4.94 118.94 116.43 1vle s TRP 42 Ca 0.58 1.01 -0.00 0.00 -1.06 0.00 0.00 56.10 56.63 1vle s TRP 42 Cb -0.11 -3.21 -0.01 0.00 -1.16 0.00 0.00 33.47 28.99 1vle s TRP 42 CO 0.45 -1.71 -0.01 0.15 -4.06 0.00 0.00 176.95 171.77 1vle s LYS 43 N -5.30 0.10 -0.11 3.25 1.02 -1.26 -4.42 119.74 113.03 1vle s LYS 43 Ca 0.61 -0.20 0.02 0.00 0.02 0.00 0.00 55.97 56.42 1vle s LYS 43 Cb -0.13 0.04 0.01 0.00 -0.52 0.00 0.00 37.83 37.23 1vle s LYS 43 CO 0.53 -0.02 -0.17 0.42 -0.92 0.00 0.00 175.35 175.19 1vle s ILE 44 N -0.48 1.61 -0.36 2.17 1.01 0.65 -4.96 121.20 120.84 1vle s ILE 44 Ca -0.05 -0.72 -0.14 0.00 0.00 0.00 0.00 60.65 59.74 1vle s ILE 44 Cb -0.03 -1.45 -0.00 0.00 0.01 0.00 0.00 42.46 40.98 1vle s ILE 44 CO -0.00 0.46 0.26 -1.61 0.00 0.00 0.00 174.94 174.05 1vle s GLU 45 N 0.83 3.31 -0.05 2.79 8.01 -1.26 -0.15 118.70 132.17 1vle s GLU 45 Ca -0.09 -0.78 -0.02 0.00 0.01 0.00 0.00 54.97 54.09 1vle s GLU 45 Cb -0.16 -3.87 0.04 0.00 -4.31 0.00 0.00 34.13 25.83 1vle s GLU 45 CO 0.01 -0.55 0.11 0.00 0.01 0.00 0.00 175.26 174.83 1vle s ALA 46 N 1.71 -0.13 -1.43 5.21 0.00 -0.33 -4.89 121.76 121.90 1vle s ALA 46 Ca 0.06 0.53 -0.07 0.00 0.00 0.00 0.00 51.96 52.48 1vle s ALA 46 Cb -0.18 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1vle s ALA 46 CO 0.10 -0.22 0.81 0.54 0.00 0.00 0.00 175.76 176.99 1vle n ARG 47 N 4.42 -5.00 0.00 0.00 1.74 -1.26 -1.33 116.66 115.23 1vle n ARG 47 Ca -0.23 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1vle n ARG 47 Cb 0.51 -5.26 0.00 0.00 -1.02 0.00 0.00 32.46 26.69 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 -1.66 2.37 3.90 -0.13 0.00 -1.26 -4.98 105.19 103.43 1vle n GLY 48 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 3.60 -0.24 1.61 1.02 -0.44 -5.08 119.74 120.20 1vle s LYS 49 Ca 0.00 -0.13 -0.06 0.00 0.02 0.00 0.00 55.97 55.81 1vle s LYS 49 Cb 0.00 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 1vle s LYS 49 CO 0.00 0.45 0.02 0.99 -0.92 0.00 0.00 175.35 175.89 1vle s THR 50 N -1.70 3.86 -0.18 2.17 2.01 -1.26 -1.19 115.64 119.35 1vle s THR 50 Ca 0.41 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 1vle s THR 50 Cb -0.12 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1vle s THR 50 CO 0.26 0.34 0.01 -0.36 -0.69 0.00 0.00 174.62 174.18 1vle s PHE 51 N 1.54 3.11 -0.07 4.92 0.40 0.79 -4.94 117.98 123.74 1vle s PHE 51 Ca 0.06 -0.20 -0.06 0.00 -0.60 0.00 0.00 56.93 56.12 1vle s PHE 51 Cb -0.15 -2.04 0.02 0.00 0.51 0.00 0.00 43.02 41.36 1vle s PHE 51 CO 0.01 -0.03 0.18 -0.08 0.70 0.00 0.00 175.22 176.00 1vle s THR 52 N 0.57 -0.01 0.86 0.64 -1.32 -1.26 -0.25 115.64 114.87 1vle s THR 52 Ca 0.00 0.02 -0.12 0.00 -1.21 0.00 0.00 61.69 60.38 1vle s THR 52 Cb -0.14 -0.26 0.11 0.00 -1.51 0.00 0.00 72.50 70.70 1vle s THR 52 CO 0.02 0.01 1.11 -2.16 -2.21 0.00 0.00 174.62 171.38 1vle s PRO 53 N 0.22 1.55 0.48 7.08 0.04 -1.26 -5.03 135.00 138.09 1vle s PRO 53 Ca -0.01 0.58 -0.22 0.00 0.04 0.00 0.00 61.00 61.38 1vle s PRO 53 Cb -0.02 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 1vle s PRO 53 CO -0.01 -1.98 1.20 -2.14 0.04 0.00 0.00 177.00 174.12 1vle s PRO 54 N -5.13 3.59 -0.58 0.56 0.02 -1.26 -4.89 135.00 127.32 1vle s PRO 54 Ca 0.62 1.86 -0.06 0.00 0.02 0.00 0.00 61.00 63.44 1vle s PRO 54 Cb -0.16 -2.34 -0.13 0.00 0.02 0.00 0.00 34.50 31.89 1vle s PRO 54 CO 0.55 -0.72 3.21 0.54 -0.33 0.00 0.00 177.00 180.25 1vle n ARG 55 N -0.67 2.71 -3.52 5.54 5.12 -1.26 -4.81 116.66 119.77 1vle n ARG 55 Ca 0.08 -1.75 -0.11 0.00 -1.93 0.00 0.00 57.85 54.14 1vle n ARG 55 Cb 0.48 -2.27 -0.02 0.00 -1.16 0.00 0.00 32.46 29.49 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 0.57 1.39 0.54 5.56 2.20 -1.26 -1.86 119.74 126.87 1vle s LYS 56 Ca 0.65 -0.59 0.08 0.00 -0.36 0.00 0.00 55.97 55.75 1vle s LYS 56 Cb 0.29 0.59 0.05 0.00 -1.51 0.00 0.00 37.83 37.25 1vle s LYS 56 CO -0.06 -0.62 0.59 0.95 -0.36 0.00 0.00 175.35 175.85 1vle s THR 57 N -3.79 2.08 0.09 3.43 -4.23 -0.11 -4.99 115.64 108.12 1vle s THR 57 Ca 0.03 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 1vle s THR 57 Cb -0.02 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 1vle s THR 57 CO -0.09 0.00 -0.03 -0.94 -0.54 0.00 0.00 174.62 173.03 1vle s SER 58 N -4.45 0.74 0.13 3.99 1.04 -1.26 -4.25 113.70 109.64 1vle s SER 58 Ca 0.50 -1.05 0.04 0.00 0.48 0.00 0.00 55.95 55.92 1vle s SER 58 Cb -0.04 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 1vle s SER 58 CO 0.31 -0.57 -0.10 0.27 0.98 0.00 0.00 173.24 174.12 1vle s ILE 59 N -3.82 1.10 0.57 -1.02 -4.36 -1.26 -4.53 121.20 107.89 1vle s ILE 59 Ca 0.13 -1.96 -0.06 0.00 -0.26 0.00 0.00 60.65 58.50 1vle s ILE 59 Cb 0.07 -1.74 0.00 0.00 1.25 0.00 0.00 42.46 42.04 1vle s ILE 59 CO -0.05 -0.71 0.88 0.00 0.24 0.00 0.00 174.94 175.30 1vle s ALA 60 N -3.14 3.33 0.20 2.27 0.00 -0.63 -4.40 121.76 119.38 1vle s ALA 60 Ca 0.14 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 1vle s ALA 60 Cb 0.01 -2.58 0.23 0.00 0.00 0.00 0.00 23.12 20.78 1vle s ALA 60 CO 0.00 -0.74 1.75 -1.35 0.00 0.00 0.00 175.76 175.42 1vle h PRO 61 N -0.12 0.41 0.00 0.00 0.11 -1.92 -1.96 132.00 128.52 1vle h PRO 61 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1vle h PRO 61 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1vle h PRO 61 CO 0.61 0.27 0.00 0.10 -0.21 0.00 0.00 178.00 178.77 1vle h TYR 62 N 0.42 0.00 0.05 0.65 -0.00 -1.90 -1.37 116.97 114.82 1vle h TYR 62 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 58.73 58.68 1vle h TYR 62 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 36.99 1vle h TYR 62 CO -0.15 0.00 -1.81 1.15 -0.00 0.00 0.00 178.16 177.35 1vle h THR 63 N 0.00 0.77 -0.26 -0.90 2.02 -1.71 -3.06 112.91 109.77 1vle h THR 63 Ca 0.00 -2.57 0.02 0.00 0.77 0.00 0.00 66.41 64.63 1vle h THR 63 Cb 0.20 2.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 1vle h THR 63 CO 0.00 0.66 0.18 0.00 0.37 0.00 0.00 175.52 176.73 1vle h ALA 64 N 0.62 1.92 -0.21 6.16 0.00 -0.62 -1.80 119.26 125.34 1vle h ALA 64 Ca -0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1vle h ALA 64 Cb 2.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1vle h ALA 64 CO 0.09 0.05 -0.01 0.41 0.00 0.00 0.00 179.25 179.78 1vle n GLY 65 N -1.52 4.32 0.30 0.00 0.00 -1.00 -4.70 105.19 102.59 1vle n GLY 65 Ca 0.02 -1.08 0.12 0.00 0.00 0.00 0.00 46.02 45.07 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 1.32 0.03 -0.53 1.61 3.57 -1.21 -1.93 116.94 119.79 1vle h PHE 66 Ca 0.02 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.66 1vle h PHE 66 Cb 1.36 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 1vle h PHE 66 CO 0.43 0.01 0.38 -0.22 -2.23 0.00 0.00 178.31 176.68 1vle h LYS 67 N 0.03 0.06 0.00 1.11 3.64 -1.84 0.35 116.57 119.91 1vle h LYS 67 Ca 0.09 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1vle h LYS 67 Cb 0.33 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1vle h LYS 67 CO -0.00 0.04 0.00 0.66 -2.27 0.00 0.00 179.45 177.87 1vle h SER 68 N 0.06 0.00 0.37 4.20 4.64 -1.73 -2.48 113.55 118.61 1vle h SER 68 Ca 0.25 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.25 1vle h SER 68 Cb 0.93 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 1vle h SER 68 CO -0.02 0.00 -1.72 0.24 -0.87 0.00 0.00 176.83 174.46 1vle h MET 69 N 0.00 0.18 0.07 4.77 2.86 -0.46 -2.93 114.93 119.40 1vle h MET 69 Ca 0.00 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1vle h MET 69 Cb 0.47 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1vle h MET 69 CO 0.00 0.96 -0.03 0.82 1.06 0.00 0.00 176.91 179.72 1vle h ILE 70 N 0.05 1.08 -0.63 -1.22 2.04 -1.23 -2.93 117.51 114.66 1vle h ILE 70 Ca -0.31 -0.51 -0.29 0.00 1.00 0.00 0.00 64.86 64.76 1vle h ILE 70 Cb 2.02 1.42 -0.17 0.00 -0.74 0.00 0.00 36.82 39.34 1vle h ILE 70 CO 0.11 0.13 0.37 -1.22 0.00 0.00 0.00 178.15 177.54 1vle n TYR 71 N -5.02 2.00 -1.95 1.37 4.01 -0.96 -4.95 117.16 111.66 1vle n TYR 71 Ca -0.08 -1.25 -0.38 0.00 -0.16 0.00 0.00 57.90 56.03 1vle n TYR 71 Cb 0.16 -0.67 0.03 0.00 -0.31 0.00 0.00 39.34 38.54 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 -0.58 5.52 0.00 7.72 0.15 -1.11 -4.91 113.70 120.50 1vle s SER 72 Ca 0.39 2.59 0.22 0.00 0.70 0.00 0.00 55.95 59.85 1vle s SER 72 Cb 0.32 -2.62 0.84 0.00 -1.71 0.00 0.00 66.02 62.85 1vle s SER 72 CO 0.08 -1.38 1.60 -0.90 1.20 0.00 0.00 173.24 173.84 1vle n ASP 73 N -0.93 1.55 -1.00 5.45 5.75 -1.26 -2.85 116.55 123.26 1vle n ASP 73 Ca 0.10 -1.64 0.09 0.00 -0.01 0.00 0.00 54.79 53.32 1vle n ASP 73 Cb 0.46 -0.08 0.24 0.00 -1.03 0.00 0.00 41.12 40.72 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 0.23 3.50 -4.75 -2.12 4.77 -1.26 -4.95 117.00 112.42 1vle n LEU 74 Ca 0.17 -2.05 -0.41 0.00 -0.03 0.00 0.00 56.01 53.68 1vle n LEU 74 Cb 0.32 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1vle n LEU 74 CO 0.14 0.84 0.98 -0.60 -1.33 0.00 0.00 177.39 177.42 1vle s ARG 75 N -1.10 4.39 -0.23 3.23 6.06 -1.13 0.20 118.95 130.37 1vle s ARG 75 Ca 0.36 2.12 -0.29 0.00 -2.50 0.00 0.00 55.73 55.42 1vle s ARG 75 Cb 0.20 -3.14 -0.03 0.00 0.06 0.00 0.00 34.95 32.04 1vle s ARG 75 CO 0.24 -0.21 1.67 0.42 -2.50 0.00 0.00 175.30 174.91 1vle s ILE 76 N -0.45 3.63 0.18 4.11 1.01 -0.19 -4.71 121.20 124.78 1vle s ILE 76 Ca 0.53 0.70 -0.10 0.00 0.00 0.00 0.00 60.65 61.78 1vle s ILE 76 Cb -0.38 -3.66 0.08 0.00 0.01 0.00 0.00 42.46 38.51 1vle s ILE 76 CO 0.44 -0.29 1.67 -0.65 0.00 0.00 0.00 174.94 176.11 1vle h PRO 77 N 11.10 1.02 -2.51 2.79 0.11 -1.91 -3.43 132.00 139.18 1vle h PRO 77 Ca -0.34 -0.27 0.15 0.00 0.11 0.00 0.00 66.00 65.65 1vle h PRO 77 Cb 1.16 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1vle h PRO 77 CO 1.00 0.95 0.55 1.52 -0.21 0.00 0.00 178.00 181.81 1vle s TYR 78 N -5.22 0.03 0.46 0.65 -0.85 -1.26 -0.30 117.35 110.86 1vle s TYR 78 Ca -0.12 -0.43 -0.25 0.00 -0.52 0.00 0.00 57.07 55.75 1vle s TYR 78 Cb 0.13 0.70 -0.08 0.00 0.38 0.00 0.00 41.96 43.09 1vle s TYR 78 CO 0.83 -0.94 1.37 -2.30 -1.52 0.00 0.00 175.55 172.99 1vle n PRO 79 N -0.64 2.05 -4.11 -3.49 -0.02 -1.25 -4.56 135.00 122.98 1vle n PRO 79 Ca -0.04 0.73 -0.15 0.00 -2.02 0.00 0.00 63.50 62.02 1vle n PRO 79 Cb 0.60 -2.55 -0.12 0.00 -0.02 0.00 0.00 33.50 31.41 1vle n PRO 79 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1vle s MET 80 N -2.47 0.64 0.00 -0.52 -1.94 -0.53 -2.26 119.30 112.22 1vle s MET 80 Ca 0.63 -0.82 0.04 0.00 -1.71 0.00 0.00 55.69 53.83 1vle s MET 80 Cb -0.46 -0.50 -0.01 0.00 2.01 0.00 0.00 34.83 35.87 1vle s MET 80 CO 0.56 0.10 -0.12 0.21 -0.01 0.00 0.00 175.02 175.76 1vle s LYS 81 N -1.61 0.95 -0.12 2.03 2.20 0.23 -0.44 119.74 122.98 1vle s LYS 81 Ca -0.07 -0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 54.74 1vle s LYS 81 Cb -0.10 -0.92 -0.02 0.00 -1.51 0.00 0.00 37.83 35.27 1vle s LYS 81 CO 0.01 0.25 1.31 0.50 -0.36 0.00 0.00 175.35 177.06 1vle s ARG 82 N -0.49 4.25 0.20 4.03 3.52 -0.40 -0.31 118.95 129.75 1vle s ARG 82 Ca 0.04 1.75 -0.12 0.00 -0.13 0.00 0.00 55.73 57.27 1vle s ARG 82 Cb -0.05 -3.75 0.24 0.00 -1.56 0.00 0.00 34.95 29.83 1vle s ARG 82 CO -0.00 -0.68 1.68 0.87 -0.81 0.00 0.00 175.30 176.36 1vle h LYS 83 N 8.23 0.13 0.00 5.12 1.57 -1.48 -0.96 116.57 129.18 1vle h LYS 83 Ca -0.30 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1vle h LYS 83 Cb 1.13 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1vle h LYS 83 CO 0.95 0.09 0.00 -1.13 -0.57 0.00 0.00 179.45 178.79 1vle n SER 84 N -5.23 0.00 -4.43 0.86 3.41 -1.26 -4.69 113.62 102.27 1vle n SER 84 Ca 0.07 -0.80 -0.37 0.00 -0.26 0.00 0.00 58.87 57.51 1vle n SER 84 Cb 0.30 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.00 3.10 -0.25 7.33 5.36 -0.36 -4.12 117.98 127.03 1vle s PHE 85 Ca 0.14 -0.49 0.01 0.00 -0.96 0.00 0.00 56.93 55.62 1vle s PHE 85 Cb 0.06 -2.25 0.07 0.00 -0.34 0.00 0.00 43.02 40.56 1vle s PHE 85 CO 0.11 -0.39 -0.02 0.34 -1.46 0.00 0.00 175.22 173.80 1vle s ASP 86 N 1.60 3.88 0.40 6.13 2.15 -0.66 -4.87 116.67 125.31 1vle s ASP 86 Ca 0.06 -1.29 0.14 0.00 0.43 0.00 0.00 52.55 51.89 1vle s ASP 86 Cb -0.15 -1.14 0.99 0.00 -0.30 0.00 0.00 42.92 42.32 1vle s ASP 86 CO 0.04 -0.28 1.87 -0.65 -0.17 0.00 0.00 175.17 175.98 1vle h PRO 87 N 7.96 0.48 -0.54 4.34 0.11 -1.96 -1.21 132.00 141.19 1vle h PRO 87 Ca -0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1vle h PRO 87 Cb 1.06 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1vle h PRO 87 CO 0.42 0.32 0.00 0.09 -0.21 0.00 0.00 178.00 178.62 1vle n ASN 88 N -4.53 4.13 0.00 -2.05 4.13 -1.26 -4.97 115.26 110.71 1vle n ASN 88 Ca 0.18 -2.36 0.00 0.00 1.68 0.00 0.00 54.58 54.08 1vle n ASN 88 Cb 0.59 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 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 0.84 4.64 3.65 7.41 0.00 -0.46 -5.10 105.19 116.18 1vle n GLY 89 Ca 0.22 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 4.57 4.15 0.18 1.61 0.41 -1.25 -4.79 118.70 123.58 1vle s GLU 90 Ca 0.00 1.73 0.24 0.00 -0.41 0.00 0.00 54.97 56.53 1vle s GLU 90 Cb 0.00 -3.85 0.36 0.00 -1.78 0.00 0.00 34.13 28.86 1vle s GLU 90 CO 0.00 -0.83 1.37 0.00 -0.49 0.00 0.00 175.26 175.31 1vle h ARG 91 N 8.80 0.00 -6.73 1.61 3.08 -1.82 -1.74 114.38 117.58 1vle h ARG 91 Ca -0.30 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.25 1vle h ARG 91 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1vle h ARG 91 CO 0.98 0.00 -1.01 0.09 -1.07 0.00 0.00 179.97 178.96 1vle n ASN 92 N -2.33 -4.75 -0.27 7.04 3.02 -1.26 -4.42 115.26 112.30 1vle n ASN 92 Ca 0.03 -1.06 -0.01 0.00 -0.03 0.00 0.00 54.58 53.51 1vle n ASN 92 Cb 0.47 -1.95 0.11 0.00 -0.61 0.00 0.00 39.78 37.80 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 -1.27 0.80 0.00 3.52 0.11 -1.90 -1.75 132.00 131.51 1vle h PRO 93 Ca -0.64 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.42 1vle h PRO 93 Cb 1.38 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1vle h PRO 93 CO 0.43 0.53 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 1vle n GLN 94 N -4.70 0.04 -0.43 1.05 0.00 -1.25 -2.09 117.38 109.99 1vle n GLN 94 Ca 0.10 0.53 0.11 0.00 0.00 0.00 0.00 57.00 57.74 1vle n GLN 94 Cb 0.17 -1.62 0.32 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 -1.70 4.14 -4.71 2.61 4.77 -0.66 -4.87 117.00 116.59 1vle n LEU 95 Ca -0.00 -2.14 -0.42 0.00 -0.03 0.00 0.00 56.01 53.41 1vle n LEU 95 Cb 0.01 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 1vle n LEU 95 CO 0.03 0.92 0.91 -0.13 -1.33 0.00 0.00 177.39 177.79 1vle s ARG 96 N -1.27 4.41 0.00 3.23 0.52 -0.89 -2.53 118.95 122.42 1vle s ARG 96 Ca 0.48 1.75 0.00 0.00 -0.52 0.00 0.00 55.73 57.44 1vle s ARG 96 Cb 0.27 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 32.33 1vle s ARG 96 CO 0.29 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.71 1vle n GLY 97 N 3.27 0.52 0.18 -3.53 0.00 -1.18 -4.77 105.19 99.68 1vle n GLY 97 Ca 0.10 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 0.51 -0.42 4.61 0.00 -1.77 -0.20 119.26 121.99 1vle h ALA 98 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1vle h ALA 98 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1vle h ALA 98 CO 0.00 -0.02 0.08 0.78 0.00 0.00 0.00 179.25 180.08 1vle h GLY 99 N 0.54 0.49 0.58 0.00 0.00 -1.84 0.19 103.07 103.04 1vle h GLY 99 Ca 0.15 -0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.55 1vle h GLY 99 CO -0.03 -0.05 0.57 -2.00 0.00 0.00 0.00 176.54 175.03 1vle h LEU 100 N 0.21 0.86 -1.66 3.11 5.85 -1.62 0.45 115.31 122.52 1vle h LEU 100 Ca 0.20 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1vle h LEU 100 Cb 0.25 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1vle h LEU 100 CO -0.27 0.50 0.00 0.28 -0.34 0.00 0.00 178.44 178.61 1vle h SER 101 N 0.97 0.00 -0.13 1.25 0.02 0.83 -1.44 113.55 115.05 1vle h SER 101 Ca 0.43 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.36 1vle h SER 101 Cb 0.33 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1vle h SER 101 CO -0.23 0.00 -0.07 2.29 -1.14 0.00 0.00 176.83 177.68 1vle n LYS 102 N -2.78 1.91 -2.68 3.45 2.85 0.67 -4.20 118.16 117.38 1vle n LYS 102 Ca -0.00 -2.84 -0.19 0.00 -1.05 0.00 0.00 58.31 54.23 1vle n LYS 102 Cb 0.19 -1.67 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 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 -2.81 -3.10 -1.58 3.00 -0.36 -4.91 117.38 106.55 1vle n GLN 103 Ca 0.20 0.79 -0.20 0.00 -0.01 0.00 0.00 57.00 57.78 1vle n GLN 103 Cb 0.78 -5.49 -0.04 0.00 0.00 0.00 0.00 30.24 25.49 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 -2.10 -0.58 -0.01 1.08 -0.08 0.13 -4.97 116.55 110.01 1vle n ASP 104 Ca -0.16 -2.82 -0.09 0.00 -1.51 0.00 0.00 54.79 50.22 1vle n ASP 104 Cb 0.63 -0.06 -0.03 0.00 2.34 0.00 0.00 41.12 44.00 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 4.08 -0.24 -0.12 -0.67 0.11 -1.89 -2.63 132.00 130.64 1vle h PRO 105 Ca 0.03 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.19 1vle h PRO 105 Cb 0.92 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1vle h PRO 105 CO 0.42 -0.16 0.09 -1.49 -0.21 0.00 0.00 178.00 176.66 1vle h TRP 106 N -0.25 0.00 0.00 0.65 4.06 -1.95 -2.21 115.95 116.26 1vle h TRP 106 Ca 0.11 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.06 1vle h TRP 106 Cb 0.41 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.57 1vle h TRP 106 CO -0.33 0.00 -0.00 0.66 -3.56 0.00 0.00 178.44 175.21 1vle h SER 107 N 0.00 0.00 1.42 -3.49 4.64 -1.86 -1.90 113.55 112.36 1vle h SER 107 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1vle h SER 107 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1vle h SER 107 CO -0.00 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.40 1vle h ASP 108 N 0.00 0.00 -3.05 4.97 3.32 -1.53 -3.47 116.42 116.67 1vle h ASP 108 Ca -0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1vle h ASP 108 Cb 0.14 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.56 1vle h ASP 108 CO 0.00 0.00 -0.70 -0.31 -1.72 0.00 0.00 179.24 176.51 1vle s TYR 109 N -3.44 2.72 0.07 4.55 1.51 -0.72 -1.16 117.35 120.87 1vle s TYR 109 Ca 0.04 -0.18 0.06 0.00 -1.01 0.00 0.00 57.07 55.98 1vle s TYR 109 Cb 0.07 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 1vle s TYR 109 CO 0.59 0.50 -0.17 -1.83 -1.11 0.00 0.00 175.55 173.53 1vle s GLU 110 N -2.77 1.03 0.32 -0.62 -1.05 0.58 -4.88 118.70 111.30 1vle s GLU 110 Ca 0.25 -0.96 -0.28 0.00 -0.15 0.00 0.00 54.97 53.83 1vle s GLU 110 Cb -0.09 -1.13 -0.09 0.00 -0.44 0.00 0.00 34.13 32.38 1vle s GLU 110 CO 0.16 0.27 1.09 0.50 0.95 0.00 0.00 175.26 178.23 1vle s ARG 111 N -1.54 4.49 0.09 -4.83 3.52 -1.26 -0.60 118.95 118.82 1vle s ARG 111 Ca 0.03 1.73 -0.07 0.00 -0.13 0.00 0.00 55.73 57.28 1vle s ARG 111 Cb -0.09 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.29 1vle s ARG 111 CO 0.02 0.10 0.16 0.96 -0.81 0.00 0.00 175.30 175.73 1vle s ILE 112 N -1.30 0.15 0.65 4.11 -4.36 -0.96 -4.88 121.20 114.62 1vle s ILE 112 Ca 0.48 -1.32 -0.11 0.00 -0.26 0.00 0.00 60.65 59.45 1vle s ILE 112 Cb -0.29 -1.42 -0.02 0.00 1.25 0.00 0.00 42.46 41.98 1vle s ILE 112 CO 0.37 -0.68 1.04 -0.94 0.24 0.00 0.00 174.94 174.97 1vle s SER 113 N -2.88 5.82 0.20 4.36 1.04 -1.26 -3.89 113.70 117.08 1vle s SER 113 Ca 0.06 1.53 -0.11 0.00 0.48 0.00 0.00 55.95 57.91 1vle s SER 113 Cb 0.05 -2.48 0.13 0.00 0.10 0.00 0.00 66.02 63.81 1vle s SER 113 CO -0.10 -1.15 1.85 -0.50 0.98 0.00 0.00 173.24 174.32 1vle h TRP 114 N -0.48 0.88 0.02 5.02 4.06 -1.97 0.24 115.95 123.73 1vle h TRP 114 Ca -0.44 0.01 0.03 0.00 2.06 0.00 0.00 58.89 60.54 1vle h TRP 114 Cb 1.20 -0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 29.03 1vle h TRP 114 CO 0.64 0.58 -0.21 0.22 -3.56 0.00 0.00 178.44 176.11 1vle h ASP 115 N 0.93 -0.60 -0.49 -3.49 3.58 -1.99 0.10 116.42 114.46 1vle h ASP 115 Ca 0.25 0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.71 1vle h ASP 115 Cb -0.07 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1vle h ASP 115 CO -0.05 -0.28 0.04 -0.08 -2.88 0.00 0.00 179.24 175.99 1vle h GLU 116 N -0.34 0.85 -0.11 0.28 4.81 -1.87 -1.53 114.58 116.67 1vle h GLU 116 Ca 0.05 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1vle h GLU 116 Cb 0.41 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1vle h GLU 116 CO -0.17 0.87 0.07 0.00 -0.73 0.00 0.00 179.01 179.04 1vle h ALA 117 N 0.95 0.14 -0.12 2.92 0.00 -0.72 -1.34 119.26 121.09 1vle h ALA 117 Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1vle h ALA 117 Cb 0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1vle h ALA 117 CO 0.02 -0.38 -0.22 1.79 0.00 0.00 0.00 179.25 180.46 1vle h THR 118 N 0.14 1.21 -0.43 0.00 1.35 -0.93 -2.04 112.91 112.23 1vle h THR 118 Ca 0.04 -0.98 -0.12 0.00 -0.55 0.00 0.00 66.41 64.80 1vle h THR 118 Cb -0.01 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 1vle h THR 118 CO -0.01 0.30 -0.19 0.44 -0.25 0.00 0.00 175.52 175.80 1vle h ASP 119 N 0.19 0.90 -0.79 5.36 3.32 -0.91 -0.81 116.42 123.67 1vle h ASP 119 Ca 0.03 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 1vle h ASP 119 Cb 0.49 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 1vle h ASP 119 CO 0.03 1.10 0.43 0.40 -1.72 0.00 0.00 179.24 179.48 1vle h ILE 120 N 0.71 1.24 -0.13 0.35 2.04 -0.82 -0.96 117.51 119.93 1vle h ILE 120 Ca 0.10 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1vle h ILE 120 Cb 0.75 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1vle h ILE 120 CO 0.06 0.27 -0.11 0.58 0.00 0.00 0.00 178.15 178.94 1vle h VAL 121 N 1.10 1.35 -0.94 1.67 2.07 -1.27 -2.63 116.25 117.60 1vle h VAL 121 Ca 0.28 -1.25 0.09 0.00 0.82 0.00 0.00 66.70 66.63 1vle h VAL 121 Cb 0.04 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 1vle h VAL 121 CO -0.04 0.36 0.60 0.58 0.02 0.00 0.00 177.57 179.09 1vle h VAL 122 N -0.08 1.00 -0.50 2.57 2.07 -0.95 0.50 116.25 120.85 1vle h VAL 122 Ca 0.02 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1vle h VAL 122 Cb 0.63 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1vle h VAL 122 CO 0.03 0.18 0.18 0.00 0.02 0.00 0.00 177.57 177.98 1vle h ALA 123 N 1.53 0.65 -0.51 1.67 0.00 -1.09 -1.26 119.26 120.25 1vle h ALA 123 Ca 0.43 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1vle h ALA 123 Cb 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1vle h ALA 123 CO -0.19 0.28 0.07 0.93 0.00 0.00 0.00 179.25 180.35 1vle h GLU 124 N 0.67 0.84 0.35 0.00 4.39 -0.90 -1.61 114.58 118.33 1vle h GLU 124 Ca 0.16 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1vle h GLU 124 Cb 0.23 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1vle h GLU 124 CO -0.01 0.84 -0.21 0.82 -1.16 0.00 0.00 179.01 179.29 1vle h ILE 125 N 0.72 0.57 -0.67 3.13 2.04 -0.73 -1.37 117.51 121.19 1vle h ILE 125 Ca 0.15 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.93 1vle h ILE 125 Cb 0.41 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1vle h ILE 125 CO 0.01 0.00 0.11 0.78 0.00 0.00 0.00 178.15 179.05 1vle h ASN 126 N -0.53 1.06 0.05 1.72 2.35 -1.23 -0.27 115.58 118.74 1vle h ASN 126 Ca -0.04 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1vle h ASN 126 Cb 0.43 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1vle h ASN 126 CO 0.04 1.05 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.76 1vle h ARG 127 N 1.04 -0.07 -0.62 0.81 2.43 -1.25 -2.11 114.38 114.60 1vle h ARG 127 Ca 0.20 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1vle h ARG 127 Cb 0.44 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1vle h ARG 127 CO 0.01 0.03 0.29 0.82 -1.51 0.00 0.00 179.97 179.61 1vle h ILE 128 N -0.15 1.22 -0.74 1.20 2.04 -1.10 -1.90 117.51 118.07 1vle h ILE 128 Ca -0.01 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1vle h ILE 128 Cb 0.13 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1vle h ILE 128 CO 0.01 0.26 0.32 0.11 0.00 0.00 0.00 178.15 178.85 1vle h LYS 129 N 0.86 1.10 0.00 2.37 1.57 -0.96 0.27 116.57 121.78 1vle h LYS 129 Ca 0.21 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1vle h LYS 129 Cb 0.13 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1vle h LYS 129 CO -0.03 0.88 0.00 0.45 -0.57 0.00 0.00 179.45 180.19 1vle h HIS 130 N 1.06 0.00 0.00 -1.35 3.86 -1.23 -1.05 115.15 116.45 1vle h HIS 130 Ca 0.25 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 59.08 1vle h HIS 130 Cb 0.18 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.58 1vle h HIS 130 CO 0.01 0.00 -2.42 0.00 0.86 0.00 0.00 177.93 176.38 1vle n ALA 131 N -2.00 1.47 0.00 2.45 0.00 -0.73 -4.79 120.51 116.91 1vle n ALA 131 Ca 0.03 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1vle n ALA 131 Cb 0.42 -0.15 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 -2.99 0.00 0.00 0.00 4.01 0.89 -5.09 117.16 113.99 1vle n TYR 132 Ca -0.39 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.35 1vle n TYR 132 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.11 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 2.05 2.36 0.37 2.72 0.00 -0.40 -4.60 105.19 107.69 1vle n GLY 133 Ca 0.00 -1.97 0.19 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 0.00 1.61 0.11 -1.86 -1.96 132.00 129.91 1vle h PRO 134 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1vle h PRO 134 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1vle h PRO 134 CO 0.00 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.45 1vle h SER 135 N 0.00 0.00 0.67 -2.05 4.64 -1.86 -1.90 113.55 113.05 1vle h SER 135 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1vle h SER 135 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1vle h SER 135 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1vle n ALA 136 N -1.91 2.39 -3.17 5.18 0.00 -0.74 -4.18 120.51 118.08 1vle n ALA 136 Ca 0.00 -0.13 -0.45 0.00 0.00 0.00 0.00 53.44 52.87 1vle n ALA 136 Cb 0.19 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.70 4.99 0.33 0.00 1.01 -0.71 -0.62 121.20 123.50 1vle s ILE 137 Ca 0.23 -1.18 -0.21 0.00 0.00 0.00 0.00 60.65 59.50 1vle s ILE 137 Cb 0.19 -4.42 -0.10 0.00 0.01 0.00 0.00 42.46 38.15 1vle s ILE 137 CO 0.47 -1.00 0.85 -0.22 0.00 0.00 0.00 174.94 175.03 1vle s LEU 138 N 2.23 4.16 -0.00 2.97 2.96 0.13 -0.05 118.68 131.07 1vle s LEU 138 Ca 0.08 1.57 -0.29 0.00 -0.22 0.00 0.00 54.13 55.27 1vle s LEU 138 Cb -0.26 -4.09 0.07 0.00 0.50 0.00 0.00 46.19 42.41 1vle s LEU 138 CO 0.05 -0.17 0.67 -0.55 -1.32 0.00 0.00 176.35 175.04 1vle s SER 139 N -1.95 -0.63 -0.30 3.68 0.15 -0.33 0.12 113.70 114.45 1vle s SER 139 Ca 0.53 0.53 -0.23 0.00 0.70 0.00 0.00 55.95 57.48 1vle s SER 139 Cb -0.13 0.54 0.19 0.00 -1.71 0.00 0.00 66.02 64.91 1vle s SER 139 CO 0.18 -0.68 1.39 0.28 1.20 0.00 0.00 173.24 175.61 1vle s THR 140 N -1.80 0.00 0.00 6.45 -1.32 -1.15 -2.23 115.64 115.58 1vle s THR 140 Ca -0.08 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 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 1.92 1.57 -3.97 7.08 -0.04 -1.26 -2.16 135.00 138.15 1vle n PRO 141 Ca -0.12 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.20 1vle n PRO 141 Cb 0.57 0.00 -0.03 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 -1.47 -0.23 3.54 2.88 -1.26 -4.80 113.62 112.29 1vle n SER 142 Ca 0.00 -2.88 -0.00 0.00 -1.33 0.00 0.00 58.87 54.66 1vle n SER 142 Cb 0.00 2.69 0.07 0.00 -0.75 0.00 0.00 64.21 66.22 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 1.99 -0.66 -1.78 -3.46 0.02 -1.99 -3.44 113.55 104.24 1vle h SER 143 Ca -0.28 0.20 -0.54 0.00 -0.84 0.00 0.00 61.79 60.33 1vle h SER 143 Cb 1.20 0.43 -0.07 0.00 0.14 0.00 0.00 62.40 64.10 1vle h SER 143 CO 0.38 -0.23 -0.51 -1.00 -1.14 0.00 0.00 176.83 174.33 1vle s HIS 144 N -6.22 2.70 0.20 3.45 3.76 -1.26 -5.10 115.29 112.82 1vle s HIS 144 Ca -0.14 -0.43 -0.13 0.00 -0.15 0.00 0.00 55.06 54.21 1vle s HIS 144 Cb 0.20 -1.77 0.00 0.00 1.11 0.00 0.00 32.58 32.12 1vle s HIS 144 CO 0.74 0.25 0.42 -1.58 -0.85 0.00 0.00 174.74 173.71 1vle s HIS 145 N -2.46 0.23 0.43 1.40 2.46 -1.26 -5.06 115.29 111.02 1vle s HIS 145 Ca 0.40 -0.58 -0.26 0.00 0.47 0.00 0.00 55.06 55.09 1vle s HIS 145 Cb -0.02 0.16 -0.09 0.00 -0.13 0.00 0.00 32.58 32.51 1vle s HIS 145 CO 0.23 -0.87 1.37 -1.64 -2.47 0.00 0.00 174.74 171.37 1vle s MET 146 N -3.95 3.84 0.54 2.88 -1.94 -1.26 -4.82 119.30 114.58 1vle s MET 146 Ca 0.16 2.30 -0.22 0.00 -1.71 0.00 0.00 55.69 56.23 1vle s MET 146 Cb 0.01 -2.72 -0.05 0.00 2.01 0.00 0.00 34.83 34.08 1vle s MET 146 CO 0.02 -0.65 1.31 -0.46 -0.01 0.00 0.00 175.02 175.23 1vle s TRP 147 N -1.23 2.39 0.00 -0.03 -0.00 -1.26 -4.78 118.94 114.03 1vle s TRP 147 Ca 0.59 1.41 0.00 0.00 -0.00 0.00 0.00 56.10 58.10 1vle s TRP 147 Cb -0.41 -3.71 0.00 0.00 -0.00 0.00 0.00 33.47 29.35 1vle s TRP 147 CO 0.53 -2.61 0.00 0.41 -0.00 0.00 0.00 176.95 175.28 1vle n GLY 148 N 0.67 3.32 0.22 5.86 0.00 -1.26 -4.72 105.19 109.29 1vle n GLY 148 Ca 0.10 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 0.67 -0.40 1.61 4.21 -1.34 -1.89 115.58 118.46 1vle h ASN 149 Ca 0.00 -0.19 -0.13 0.00 1.21 0.00 0.00 56.30 57.19 1vle h ASN 149 Cb 0.00 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.01 1vle h ASN 149 CO 0.00 0.68 -0.24 0.58 -1.29 0.00 0.00 177.43 177.17 1vle h VAL 150 N 0.63 1.27 -0.09 2.81 2.07 -1.95 -3.13 116.25 117.86 1vle h VAL 150 Ca 0.15 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1vle h VAL 150 Cb 0.24 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1vle h VAL 150 CO -0.01 0.47 0.00 0.61 0.02 0.00 0.00 177.57 178.66 1vle n GLY 151 N -0.13 0.30 3.71 2.17 0.00 -1.22 -2.98 105.19 107.05 1vle n GLY 151 Ca -0.00 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1vle n GLY 151 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vle s TYR 152 N -1.90 2.00 0.43 1.61 5.04 -0.71 -4.50 117.35 119.32 1vle s TYR 152 Ca 0.35 1.67 0.12 0.00 -2.44 0.00 0.00 57.07 56.77 1vle s TYR 152 Cb 0.20 -3.31 0.99 0.00 0.35 0.00 0.00 41.96 40.19 1vle s TYR 152 CO 0.31 -2.48 2.02 0.07 -1.34 0.00 0.00 175.55 174.12 1vle h ARG 153 N -1.13 0.41 0.00 4.97 0.11 -1.90 -0.12 114.38 116.72 1vle h ARG 153 Ca -0.45 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.61 1vle h ARG 153 Cb 1.27 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1vle h ARG 153 CO 0.47 0.27 0.00 0.45 0.10 0.00 0.00 179.97 181.26 1vle h HIS 154 N 0.43 0.00 0.00 4.08 3.86 -1.90 -2.77 115.15 118.85 1vle h HIS 154 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1vle h HIS 154 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 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 -2.88 0.00 -0.01 2.45 2.88 -0.15 -4.54 113.62 111.37 1vle n SER 155 Ca 0.01 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.43 1vle n SER 155 Cb 0.27 -0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 63.56 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 1.16 0.43 2.46 2.02 -1.19 -2.05 112.91 115.75 1vle h THR 156 Ca 0.00 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1vle h THR 156 Cb 0.00 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1vle h THR 156 CO 0.00 0.14 -0.38 0.22 0.37 0.00 0.00 175.52 175.87 1vle h TYR 157 N -0.05 -1.03 -0.97 3.16 3.20 -1.66 -2.68 116.97 116.93 1vle h TYR 157 Ca 0.03 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1vle h TYR 157 Cb 0.20 0.40 -0.05 0.00 1.54 0.00 0.00 36.73 38.82 1vle h TYR 157 CO -0.01 -0.54 0.64 0.74 -1.64 0.00 0.00 178.16 177.35 1vle h PHE 158 N -0.82 1.23 -0.93 -3.82 0.05 -1.56 -0.55 116.94 110.54 1vle h PHE 158 Ca -0.04 0.02 0.06 0.00 3.82 0.00 0.00 57.97 61.83 1vle h PHE 158 Cb 0.72 -0.42 -0.06 0.00 2.00 0.00 0.00 35.95 38.19 1vle h PHE 158 CO -0.19 0.78 0.61 -0.09 -0.18 0.00 0.00 178.31 179.24 1vle h ARG 159 N 1.32 1.06 0.00 1.51 2.43 -1.20 -0.03 114.38 119.47 1vle h ARG 159 Ca 0.36 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1vle h ARG 159 Cb -0.14 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.17 1vle h ARG 159 CO -0.08 0.70 -0.00 0.35 -1.51 0.00 0.00 179.97 179.43 1vle h PHE 160 N 1.09 -0.00 -0.90 2.20 3.57 -1.12 -3.32 116.94 118.45 1vle h PHE 160 Ca 0.40 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 62.00 1vle h PHE 160 Cb 0.16 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 1vle h PHE 160 CO -0.00 0.57 0.58 0.52 -2.23 0.00 0.00 178.31 177.75 1vle h MET 161 N -1.00 0.83 0.00 1.11 2.86 -1.05 0.04 114.93 117.72 1vle h MET 161 Ca -0.00 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1vle h MET 161 Cb 0.58 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1vle h MET 161 CO 0.00 0.55 -0.08 -0.91 1.06 0.00 0.00 176.91 177.53 1vle h ASN 162 N 0.85 0.00 0.42 1.22 -0.26 -1.15 -0.27 115.58 116.38 1vle h ASN 162 Ca 0.43 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.17 1vle h ASN 162 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1vle h ASN 162 CO -0.19 0.08 -0.59 0.23 -1.06 0.00 0.00 177.43 175.90 1vle n MET 163 N -3.92 0.00 -0.03 0.81 2.81 -0.07 -4.64 117.12 112.08 1vle n MET 163 Ca -0.02 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.82 1vle n MET 163 Cb 0.17 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.16 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 -1.51 0.25 0.00 0.03 0.00 -0.27 -5.10 117.12 110.53 1vle n MET 164 Ca 0.05 0.10 0.00 0.00 -0.00 0.00 0.00 57.70 57.85 1vle n MET 164 Cb 0.34 -0.90 0.00 0.00 0.00 0.00 0.00 33.22 32.66 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 2.05 1.55 3.60 -5.12 0.00 -0.32 -4.92 105.19 102.02 1vle n GLY 165 Ca -0.07 0.00 0.00 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 3.93 -0.02 -0.28 1.61 -0.12 -1.24 -4.82 117.98 117.04 1vle s PHE 166 Ca 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 56.93 56.77 1vle s PHE 166 Cb 0.00 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 1vle s PHE 166 CO 0.00 -0.07 0.20 0.99 -0.05 0.00 0.00 175.22 176.29 1vle s THR 167 N -2.12 5.31 -0.03 -4.49 2.01 0.93 -4.45 115.64 112.80 1vle s THR 167 Ca 0.13 0.19 -0.18 0.00 0.31 0.00 0.00 61.69 62.15 1vle s THR 167 Cb 0.03 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 1vle s THR 167 CO -0.04 0.25 0.49 -0.47 -0.69 0.00 0.00 174.62 174.16 1vle s TYR 168 N 1.73 3.66 -1.13 4.92 5.04 -1.26 -1.18 117.35 129.14 1vle s TYR 168 Ca 0.07 1.04 -0.14 0.00 -2.44 0.00 0.00 57.07 55.60 1vle s TYR 168 Cb -0.16 -2.47 0.18 0.00 0.35 0.00 0.00 41.96 39.86 1vle s TYR 168 CO 0.11 0.42 1.31 0.00 -1.34 0.00 0.00 175.55 176.05 1vle s ALA 169 N -0.34 3.97 0.33 3.97 0.00 -0.95 -1.56 121.76 127.18 1vle s ALA 169 Ca 0.27 -3.30 -0.28 0.00 0.00 0.00 0.00 51.96 48.64 1vle s ALA 169 Cb -0.17 -4.02 -0.12 0.00 0.00 0.00 0.00 23.12 18.80 1vle s ALA 169 CO 0.14 -2.73 1.29 -3.47 0.00 0.00 0.00 175.76 170.98 1vle n ASP 170 N 5.43 2.69 -4.74 0.00 -0.08 -0.06 -4.29 116.55 115.50 1vle n ASP 170 Ca 0.32 1.20 -0.41 0.00 -1.51 0.00 0.00 54.79 54.39 1vle n ASP 170 Cb 0.44 -1.47 -0.04 0.00 2.34 0.00 0.00 41.12 42.38 1vle n ASP 170 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1vle s HIS 171 N -1.01 3.70 0.47 -0.67 3.76 -1.26 -1.71 115.29 118.58 1vle s HIS 171 Ca 0.56 1.71 -0.20 0.00 -0.15 0.00 0.00 55.06 56.98 1vle s HIS 171 Cb -0.58 -3.18 -0.09 0.00 1.11 0.00 0.00 32.58 29.84 1vle s HIS 171 CO 0.61 -0.25 1.02 0.54 -0.85 0.00 0.00 174.74 175.81 1vle s ASN 172 N -0.42 6.49 -0.80 1.40 4.22 -1.26 -3.42 114.94 121.14 1vle s ASN 172 Ca 0.47 1.87 -0.05 0.00 -2.14 0.00 0.00 52.86 53.01 1vle s ASN 172 Cb -0.28 -2.56 -0.05 0.00 1.28 0.00 0.00 41.25 39.64 1vle s ASN 172 CO 0.34 -0.68 2.01 -0.81 -2.04 0.00 0.00 177.10 175.93 1vle n PRO 173 N -0.88 1.87 -0.39 3.55 -0.04 -1.26 -4.72 135.00 133.13 1vle n PRO 173 Ca 0.09 -1.34 -0.07 0.00 -0.04 0.00 0.00 63.50 62.14 1vle n PRO 173 Cb 0.53 -2.38 -0.04 0.00 -0.04 0.00 0.00 33.50 31.56 1vle n PRO 173 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1vle h ASP 174 N 6.39 -1.83 -0.97 3.54 3.04 -1.98 0.37 116.42 124.97 1vle h ASP 174 Ca 0.44 0.32 0.11 0.00 -3.24 0.00 0.00 57.03 54.65 1vle h ASP 174 Cb 0.17 0.86 -0.08 0.00 -1.04 0.00 0.00 39.33 39.24 1vle h ASP 174 CO 1.36 -0.26 0.62 0.28 -2.04 0.00 0.00 179.24 179.20 1vle h SER 175 N -0.02 0.89 -0.01 4.15 0.02 -2.00 -3.19 113.55 113.38 1vle h SER 175 Ca 0.23 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1vle h SER 175 Cb 0.50 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1vle h SER 175 CO -0.94 0.50 -0.71 0.79 -1.14 0.00 0.00 176.83 175.33 1vle n TRP 176 N -4.57 0.00 0.00 3.45 8.01 -0.01 -4.53 117.44 119.79 1vle n TRP 176 Ca 0.17 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.36 1vle n TRP 176 Cb 0.33 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.63 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 -0.87 0.00 -0.15 -0.99 -0.58 0.11 0.47 120.64 118.62 1vle n GLU 177 Ca 0.06 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.82 1vle n GLU 177 Cb 0.35 0.00 0.30 0.00 -0.57 0.00 0.00 31.44 31.53 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 0.92 1.34 0.62 0.00 -1.03 0.23 103.07 105.16 1vle h GLY 178 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 47.33 46.78 1vle h GLY 178 CO 0.00 0.33 -0.76 1.49 0.00 0.00 0.00 176.54 177.59 1vle h TRP 179 N 0.87 0.87 0.40 5.60 4.06 -0.23 -0.10 115.95 127.43 1vle h TRP 179 Ca 0.24 -0.39 -0.02 0.00 2.06 0.00 0.00 58.89 60.79 1vle h TRP 179 Cb -0.08 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 27.95 1vle h TRP 179 CO -0.00 1.19 -0.19 1.25 -3.56 0.00 0.00 178.44 177.13 1vle h HIS 180 N 0.44 -0.49 0.00 0.49 2.76 -0.46 0.26 115.15 118.15 1vle h HIS 180 Ca -0.05 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1vle h HIS 180 Cb 1.37 0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.50 1vle h HIS 180 CO 0.07 -0.20 -0.07 0.91 -1.30 0.00 0.00 177.93 177.34 1vle n TRP 181 N -5.14 0.68 0.01 5.26 7.02 0.77 -4.11 117.44 121.93 1vle n TRP 181 Ca -0.08 0.20 -0.00 0.00 -1.02 0.00 0.00 57.50 56.59 1vle n TRP 181 Cb 0.26 -0.81 -0.00 0.00 -2.42 0.00 0.00 31.31 28.35 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 1.36 0.02 0.29 6.99 0.00 -0.17 -4.81 105.19 108.87 1vle n GLY 182 Ca 0.06 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.03 1.29 -0.39 -0.02 0.00 -0.53 -2.08 103.07 101.31 1vle h GLY 183 Ca 0.00 -0.19 0.26 0.00 0.00 0.00 0.00 47.33 47.40 1vle h GLY 183 CO 0.00 -0.10 0.41 1.98 0.00 0.00 0.00 176.54 178.82 1vle h MET 184 N 0.50 0.31 0.00 4.80 -1.53 -0.65 0.68 114.93 119.03 1vle h MET 184 Ca 0.46 -0.02 -0.04 0.00 -3.44 0.00 0.00 59.70 56.66 1vle h MET 184 Cb 0.71 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.69 1vle h MET 184 CO -0.41 0.20 -0.17 0.45 0.14 0.00 0.00 176.91 177.12 1vle h HIS 185 N 0.32 0.00 0.16 1.39 3.86 -1.65 0.13 115.15 119.36 1vle h HIS 185 Ca 0.62 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 59.48 1vle h HIS 185 Cb 1.29 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.76 1vle h HIS 185 CO -0.13 0.17 -1.84 1.98 0.86 0.00 0.00 177.93 178.97 1vle h MET 186 N 0.00 0.34 0.00 2.45 -1.53 0.26 -3.43 114.93 113.02 1vle h MET 186 Ca -0.00 -0.58 0.00 0.00 -3.44 0.00 0.00 59.70 55.68 1vle h MET 186 Cb 0.62 0.21 0.00 0.00 -0.55 0.00 0.00 31.60 31.89 1vle h MET 186 CO 0.02 1.26 0.00 -2.67 0.14 0.00 0.00 176.91 175.67 1vle n TRP 187 N -3.54 0.00 0.00 1.39 4.27 -0.41 -0.38 117.44 118.77 1vle n TRP 187 Ca -0.27 -0.06 0.00 0.00 -3.89 0.00 0.00 57.50 53.28 1vle n TRP 187 Cb 1.06 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 31.01 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 -0.06 0.95 2.97 -1.67 0.00 0.46 -4.35 105.19 103.50 1vle n GLY 188 Ca 0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 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 10.31 -1.75 -0.36 1.61 3.01 -1.26 -4.20 117.46 124.81 1vle n PHE 189 Ca 0.00 0.39 0.05 0.00 1.01 0.00 0.00 57.45 58.90 1vle n PHE 189 Cb 0.00 -3.85 0.20 0.00 -0.01 0.00 0.00 39.48 35.82 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 -0.97 0.97 0.20 4.37 4.64 -1.90 0.67 113.55 121.54 1vle h SER 190 Ca -0.48 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1vle h SER 190 Cb 1.33 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1vle h SER 190 CO 0.54 0.57 0.00 -2.67 -0.87 0.00 0.00 176.83 174.40 1vle n TRP 191 N -4.57 0.00 -0.63 4.77 2.14 -1.16 -0.04 117.44 117.96 1vle n TRP 191 Ca 0.17 0.00 0.06 0.00 2.07 0.00 0.00 57.50 59.80 1vle n TRP 191 Cb 0.27 -0.45 0.09 0.00 -0.81 0.00 0.00 31.31 30.41 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 -1.45 2.04 -2.94 -2.67 1.74 0.06 -4.36 116.66 109.08 1vle n ARG 192 Ca 0.02 -2.15 -0.20 0.00 -0.77 0.00 0.00 57.85 54.75 1vle n ARG 192 Cb 0.07 -1.31 0.01 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.00 -1.81 0.00 0.55 4.77 0.94 -2.08 117.00 118.38 1vle n LEU 193 Ca 0.10 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1vle n LEU 193 Cb 0.49 -2.45 0.00 0.00 -2.33 0.00 0.00 43.42 39.13 1vle n LEU 193 CO 0.01 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1vle n GLY 194 N -1.17 3.33 3.80 -0.72 0.00 -0.22 -2.10 105.19 108.12 1vle n GLY 194 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.05 5.49 0.54 1.61 0.01 -0.88 -4.66 114.94 116.00 1vle s ASN 195 Ca 0.00 1.76 -0.06 0.00 -0.71 0.00 0.00 52.86 53.85 1vle s ASN 195 Cb 0.00 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.12 1vle s ASN 195 CO 0.00 -1.37 0.86 -2.16 -1.51 0.00 0.00 177.10 172.92 1vle s PRO 196 N -4.47 3.34 0.65 -0.60 0.04 -1.26 -4.74 135.00 127.95 1vle s PRO 196 Ca 0.62 0.20 -0.14 0.00 0.04 0.00 0.00 61.00 61.72 1vle s PRO 196 Cb -0.16 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 1vle s PRO 196 CO 0.45 -0.42 1.08 -2.00 0.04 0.00 0.00 177.00 176.15 1vle s GLU 197 N -4.89 2.97 0.00 4.56 2.12 -1.26 -4.91 118.70 117.29 1vle s GLU 197 Ca 0.51 1.25 0.00 0.00 0.36 0.00 0.00 54.97 57.09 1vle s GLU 197 Cb -0.10 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.30 1vle s GLU 197 CO 0.46 -1.10 0.10 1.04 -0.54 0.00 0.00 175.26 175.22 1vle n GLN 198 N -2.44 -0.06 -1.50 4.30 1.13 -1.26 -4.82 117.38 112.72 1vle n GLN 198 Ca 0.09 -0.10 -0.50 0.00 -1.94 0.00 0.00 57.00 54.55 1vle n GLN 198 Cb 0.53 -0.55 -0.04 0.00 0.11 0.00 0.00 30.24 30.28 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 -0.00 0.56 -2.45 1.08 4.02 -1.26 -2.95 117.16 116.16 1vle n TYR 199 Ca 0.00 0.86 -0.11 0.00 -0.01 0.00 0.00 57.90 58.64 1vle n TYR 199 Cb 0.25 -2.13 -0.01 0.00 -0.02 0.00 0.00 39.34 37.43 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 1.81 -3.53 0.19 7.72 10.43 -1.23 -1.22 116.55 130.73 1vle n ASP 200 Ca 0.16 0.24 0.09 0.00 2.57 0.00 0.00 54.79 57.85 1vle n ASP 200 Cb 0.22 -3.02 0.12 0.00 1.84 0.00 0.00 41.12 40.28 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 0.00 0.00 0.49 0.64 3.38 -1.37 -3.33 115.31 115.12 1vle h LEU 201 Ca -0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1vle h LEU 201 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1vle h LEU 201 CO 0.30 0.13 -0.30 0.25 0.09 0.00 0.00 178.44 178.91 1vle h LEU 202 N 0.00 -0.76 -0.75 1.67 5.85 -1.59 0.81 115.31 120.55 1vle h LEU 202 Ca -0.01 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1vle h LEU 202 Cb 1.10 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.31 1vle h LEU 202 CO 0.02 -0.48 0.47 -0.08 -0.34 0.00 0.00 178.44 178.02 1vle h GLU 203 N -0.76 0.87 -0.58 1.25 4.81 -1.79 0.54 114.58 118.93 1vle h GLU 203 Ca -0.06 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1vle h GLU 203 Cb 0.62 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 1vle h GLU 203 CO 0.06 0.58 0.32 0.22 -0.73 0.00 0.00 179.01 179.46 1vle h ASP 204 N 0.90 0.49 -0.38 1.04 1.82 -1.61 -0.73 116.42 117.95 1vle h ASP 204 Ca 0.30 0.02 -0.10 0.00 -0.39 0.00 0.00 57.03 56.87 1vle h ASP 204 Cb 0.05 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 1vle h ASP 204 CO -0.12 0.33 -0.15 1.23 -1.61 0.00 0.00 179.24 178.92 1vle h GLY 205 N 0.62 0.84 1.73 -0.78 0.00 -0.17 -1.05 103.07 104.26 1vle h GLY 205 Ca 0.25 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1vle h GLY 205 CO -0.15 0.67 0.06 1.41 0.00 0.00 0.00 176.54 178.53 1vle h LEU 206 N 0.58 0.31 0.10 3.11 3.38 -0.49 0.21 115.31 122.51 1vle h LEU 206 Ca 0.09 -0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.75 1vle h LEU 206 Cb 0.69 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1vle h LEU 206 CO 0.05 0.33 -1.36 0.11 0.09 0.00 0.00 178.44 177.65 1vle h LYS 207 N 0.34 0.21 0.00 1.13 1.57 -0.99 -3.43 116.57 115.40 1vle h LYS 207 Ca 0.08 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1vle h LYS 207 Cb 0.14 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1vle h LYS 207 CO -0.00 1.10 -0.64 0.72 -0.57 0.00 0.00 179.45 180.05 1vle n HIS 208 N -3.44 0.00 -1.73 -1.35 8.25 -0.41 -4.85 115.22 111.68 1vle n HIS 208 Ca -0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.93 1vle n HIS 208 Cb 1.02 0.00 -0.00 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 -1.21 1.75 0.00 -1.41 0.00 0.73 -4.67 120.51 115.70 1vle n ALA 209 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1vle n ALA 209 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.13 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 0.50 2.43 -3.59 0.00 1.02 -0.22 -4.80 120.64 115.98 1vle n GLU 210 Ca 0.03 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.01 1vle n GLU 210 Cb 0.37 -0.84 -0.06 0.00 -0.02 0.00 0.00 31.44 30.89 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 -1.56 0.97 -0.04 3.49 0.00 -0.90 -2.04 119.30 119.23 1vle s MET 211 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 55.69 55.71 1vle s MET 211 Cb 0.00 0.45 0.03 0.00 0.00 0.00 0.00 34.83 35.30 1vle s MET 211 CO 0.00 -0.31 -0.01 0.42 0.00 0.00 0.00 175.02 175.11 1vle s ILE 212 N -1.60 0.29 -0.43 10.11 1.01 -0.26 -1.82 121.20 128.49 1vle s ILE 212 Ca -0.10 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.47 1vle s ILE 212 Cb -0.01 -0.37 0.08 0.00 0.01 0.00 0.00 42.46 42.17 1vle s ILE 212 CO 0.05 0.17 0.29 -0.69 0.00 0.00 0.00 174.94 174.76 1vle s VAL 213 N 1.02 4.40 -0.61 2.92 1.01 -0.60 -1.81 120.40 126.72 1vle s VAL 213 Ca -0.10 -1.36 -0.25 0.00 0.00 0.00 0.00 61.98 60.28 1vle s VAL 213 Cb -0.14 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.60 1vle s VAL 213 CO -0.01 -0.53 1.03 -0.36 0.00 0.00 0.00 175.10 175.23 1vle s PHE 214 N 1.46 2.66 -0.34 5.22 0.08 0.74 0.25 117.98 128.04 1vle s PHE 214 Ca 0.03 -0.10 -0.09 0.00 0.12 0.00 0.00 56.93 56.89 1vle s PHE 214 Cb -0.23 -4.28 0.02 0.00 -0.57 0.00 0.00 43.02 37.96 1vle s PHE 214 CO 0.03 -1.57 0.15 -0.46 -0.10 0.00 0.00 175.22 173.26 1vle s TRP 215 N 4.40 3.22 -1.39 0.36 -0.11 0.05 -0.95 118.94 124.52 1vle s TRP 215 Ca 0.31 -1.02 -0.07 0.00 1.22 0.00 0.00 56.10 56.53 1vle s TRP 215 Cb -0.12 -2.35 0.03 0.00 -1.50 0.00 0.00 33.47 29.53 1vle s TRP 215 CO 0.17 -0.63 0.98 0.45 -4.62 0.00 0.00 176.95 173.30 1vle n SER 216 N 4.92 -4.03 -3.92 5.86 2.88 -0.37 -1.01 113.62 117.96 1vle n SER 216 Ca -0.13 -0.70 -0.25 0.00 -1.33 0.00 0.00 58.87 56.46 1vle n SER 216 Cb 0.46 -4.41 -0.17 0.00 -0.75 0.00 0.00 64.21 59.35 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 -3.70 1.90 -0.53 -3.46 0.15 -1.26 -3.41 113.70 103.38 1vle s SER 217 Ca 0.40 -0.26 0.06 0.00 0.70 0.00 0.00 55.95 56.85 1vle s SER 217 Cb -0.19 -0.76 0.22 0.00 -1.71 0.00 0.00 66.02 63.58 1vle s SER 217 CO 0.79 -0.08 0.56 -0.67 1.20 0.00 0.00 173.24 175.03 1vle n ASP 218 N 4.60 1.73 -0.25 5.45 -0.08 -1.26 -4.85 116.55 121.89 1vle n ASP 218 Ca -0.16 -2.97 0.06 0.00 -1.51 0.00 0.00 54.79 50.21 1vle n ASP 218 Cb 0.50 -0.66 0.18 0.00 2.34 0.00 0.00 41.12 43.49 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 4.58 0.20 0.28 -0.67 0.11 -1.90 -1.70 132.00 132.90 1vle h PRO 219 Ca 0.16 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1vle h PRO 219 Cb 0.79 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1vle h PRO 219 CO 0.61 0.13 -0.24 0.93 -0.21 0.00 0.00 178.00 179.23 1vle h GLU 220 N 0.20 -0.51 0.61 1.05 4.39 -1.94 0.74 114.58 119.12 1vle h GLU 220 Ca 0.42 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.12 1vle h GLU 220 Cb 0.73 0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.51 1vle h GLU 220 CO -0.57 -0.34 -0.29 1.15 -1.16 0.00 0.00 179.01 177.80 1vle h THR 221 N -0.53 0.37 0.01 1.13 2.02 -1.82 -3.31 112.91 110.78 1vle h THR 221 Ca -0.01 -0.10 -0.23 0.00 0.77 0.00 0.00 66.41 66.84 1vle h THR 221 Cb 0.48 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1vle h THR 221 CO -0.03 0.01 -1.13 0.78 0.37 0.00 0.00 175.52 175.52 1vle h ASN 222 N -0.89 0.04 -0.55 4.18 2.35 -1.37 -3.48 115.58 115.85 1vle h ASN 222 Ca -0.08 -0.04 -0.23 0.00 -0.55 0.00 0.00 56.30 55.39 1vle h ASN 222 Cb 0.66 -0.01 -0.09 0.00 0.05 0.00 0.00 38.32 38.92 1vle h ASN 222 CO 0.14 1.03 -0.21 -1.54 -1.65 0.00 0.00 177.43 175.20 1vle n SER 223 N -3.32 -5.68 0.00 5.81 3.41 0.26 -2.79 113.62 111.31 1vle n SER 223 Ca -0.03 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1vle n SER 223 Cb 0.96 -4.21 0.00 0.00 -0.26 0.00 0.00 64.21 60.70 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 0.24 2.01 3.65 5.00 0.00 -1.25 -4.34 105.19 110.50 1vle n GLY 224 Ca -0.11 -0.42 0.02 0.00 0.00 0.00 0.00 46.02 45.51 1vle n GLY 224 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vle s ILE 225 N 0.00 0.00 -0.70 -0.61 2.07 -1.12 -4.66 121.20 116.18 1vle s ILE 225 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1vle s ILE 225 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1vle s ILE 225 CO 0.00 0.00 0.00 -1.22 -1.91 0.00 0.00 174.94 171.81 1vle n TYR 226 N 2.72 0.00 -1.02 3.50 0.53 -1.25 -4.87 117.16 116.77 1vle n TYR 226 Ca -0.16 0.00 0.05 0.00 -1.02 0.00 0.00 57.90 56.77 1vle n TYR 226 Cb 0.56 -2.29 0.31 0.00 -1.03 0.00 0.00 39.34 36.88 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 1.12 3.62 -0.50 -0.72 0.00 -1.26 -4.03 120.51 118.75 1vle n ALA 227 Ca -0.07 -2.28 0.00 0.00 0.00 0.00 0.00 53.44 51.10 1vle n ALA 227 Cb 0.51 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.18 2.39 2.03 0.00 0.00 -1.26 -1.90 105.19 106.27 1vle n GLY 228 Ca 0.28 0.38 -0.05 0.00 0.00 0.00 0.00 46.02 46.62 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 6.79 1.26 -0.25 1.61 3.01 -1.26 -4.68 117.46 123.94 1vle n PHE 229 Ca 0.00 -1.76 0.01 0.00 1.01 0.00 0.00 57.45 56.71 1vle n PHE 229 Cb 0.00 -0.25 0.24 0.00 -0.01 0.00 0.00 39.48 39.46 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 1.95 1.01 -0.01 -1.08 4.39 -1.70 -2.95 114.58 116.20 1vle h GLU 230 Ca 0.01 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1vle h GLU 230 Cb 1.43 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1vle h GLU 230 CO 0.30 0.67 -0.10 -1.13 -1.16 0.00 0.00 179.01 177.60 1vle n SER 231 N -4.43 0.81 -0.18 1.42 3.41 -1.26 -4.30 113.62 109.08 1vle n SER 231 Ca 0.10 -0.95 -0.01 0.00 -0.26 0.00 0.00 58.87 57.75 1vle n SER 231 Cb 0.07 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.11 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 1.12 0.03 0.50 4.04 -0.73 -1.90 -1.24 115.58 117.40 1vle h ASN 232 Ca 0.00 0.10 -0.04 0.00 1.87 0.00 0.00 56.30 58.22 1vle h ASN 232 Cb 0.38 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 1vle h ASN 232 CO 0.00 0.03 -0.21 -0.29 -0.37 0.00 0.00 177.43 176.59 1vle h ILE 233 N 0.27 0.74 -0.42 2.57 2.10 -1.81 -2.46 117.51 118.50 1vle h ILE 233 Ca 0.29 -0.87 -0.13 0.00 1.08 0.00 0.00 64.86 65.23 1vle h ILE 233 Cb 0.40 1.54 -0.01 0.00 -1.09 0.00 0.00 36.82 37.66 1vle h ILE 233 CO -0.36 0.21 -0.23 0.03 -1.08 0.00 0.00 178.15 176.71 1vle h ARG 234 N 0.00 0.91 0.00 2.19 3.08 -1.49 0.01 114.38 119.08 1vle h ARG 234 Ca -0.00 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.64 1vle h ARG 234 Cb 0.52 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1vle h ARG 234 CO 0.03 1.06 -0.01 0.00 -1.07 0.00 0.00 179.97 179.98 1vle h ARG 235 N 0.73 0.00 -0.16 0.04 3.08 -1.32 -1.51 114.38 115.24 1vle h ARG 235 Ca 0.09 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1vle h ARG 235 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 1vle h ARG 235 CO 0.07 0.01 -0.26 0.37 -1.07 0.00 0.00 179.97 179.09 1vle h GLN 236 N 0.00 0.46 -0.30 0.04 5.75 -0.94 0.30 115.11 120.43 1vle h GLN 236 Ca -0.00 -0.28 -0.00 0.00 -0.15 0.00 0.00 58.65 58.22 1vle h GLN 236 Cb 0.74 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 1vle h GLN 236 CO 0.00 0.87 0.18 -1.49 -2.65 0.00 0.00 178.83 175.74 1vle h TRP 237 N 0.10 0.40 -0.32 3.99 6.55 -0.61 -0.85 115.95 125.21 1vle h TRP 237 Ca 0.01 -0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.85 1vle h TRP 237 Cb 0.83 -0.13 -0.02 0.00 -0.86 0.00 0.00 29.16 28.99 1vle h TRP 237 CO 0.09 0.30 0.19 -0.07 -1.05 0.00 0.00 178.44 177.91 1vle h LEU 238 N 0.38 0.38 -0.45 -4.49 3.38 -1.24 -1.24 115.31 112.03 1vle h LEU 238 Ca 0.11 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1vle h LEU 238 Cb 0.02 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1vle h LEU 238 CO -0.02 0.32 0.16 0.50 0.09 0.00 0.00 178.44 179.49 1vle h LYS 239 N 0.41 0.33 0.00 1.13 3.64 -0.72 -0.76 116.57 120.60 1vle h LYS 239 Ca 0.11 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1vle h LYS 239 Cb 0.01 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1vle h LYS 239 CO -0.02 0.22 0.00 -0.44 -2.27 0.00 0.00 179.45 176.93 1vle h ASP 240 N 0.34 0.00 -0.02 4.20 3.32 -0.84 -1.45 116.42 121.96 1vle h ASP 240 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1vle h ASP 240 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1vle h ASP 240 CO -0.21 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.49 1vle n LEU 241 N -2.58 0.79 0.00 1.55 4.77 -0.37 -4.89 117.00 116.26 1vle n LEU 241 Ca 0.02 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1vle n LEU 241 Cb 0.27 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1vle n LEU 241 CO 0.23 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1vle n GLY 242 N 1.06 0.67 3.70 -0.72 0.00 -0.55 -5.04 105.19 104.32 1vle n GLY 242 Ca 0.20 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 4.21 0.27 1.61 1.01 -0.71 -4.94 120.40 119.86 1vle s VAL 243 Ca 0.00 1.57 -0.25 0.00 0.00 0.00 0.00 61.98 63.31 1vle s VAL 243 Cb 0.00 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 1vle s VAL 243 CO 0.00 0.08 0.87 -1.81 0.00 0.00 0.00 175.10 174.24 1vle s ASP 244 N 1.19 7.31 -0.19 3.32 1.01 -0.86 -4.49 116.67 123.96 1vle s ASP 244 Ca 0.57 1.72 0.01 0.00 0.71 0.00 0.00 52.55 55.56 1vle s ASP 244 Cb -0.27 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.15 1vle s ASP 244 CO 0.27 0.01 -0.19 -0.36 0.21 0.00 0.00 175.17 175.11 1vle s PHE 245 N -1.50 2.81 -0.11 4.23 2.99 -1.26 -1.10 117.98 124.04 1vle s PHE 245 Ca 0.46 -1.64 0.01 0.00 0.00 0.00 0.00 56.93 55.76 1vle s PHE 245 Cb -0.19 -1.93 -0.01 0.00 0.00 0.00 0.00 43.02 40.88 1vle s PHE 245 CO 0.24 -0.80 -0.16 0.08 -0.00 0.00 0.00 175.22 174.59 1vle s VAL 246 N 1.29 2.84 -0.18 -0.44 1.01 -0.75 -0.27 120.40 123.90 1vle s VAL 246 Ca 0.04 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1vle s VAL 246 Cb -0.13 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1vle s VAL 246 CO -0.12 0.54 -0.15 -0.36 0.00 0.00 0.00 175.10 175.02 1vle s PHE 247 N 0.16 2.82 -0.36 5.22 0.40 -0.10 -0.18 117.98 125.93 1vle s PHE 247 Ca -0.08 -1.24 -0.05 0.00 -0.60 0.00 0.00 56.93 54.95 1vle s PHE 247 Cb -0.15 -1.95 0.06 0.00 0.51 0.00 0.00 43.02 41.49 1vle s PHE 247 CO 0.05 -0.62 0.13 0.42 0.70 0.00 0.00 175.22 175.91 1vle s ILE 248 N 1.14 3.56 -0.28 0.64 1.01 -0.12 0.22 121.20 127.37 1vle s ILE 248 Ca 0.01 -1.44 -0.17 0.00 0.00 0.00 0.00 60.65 59.06 1vle s ILE 248 Cb -0.14 -3.14 0.11 0.00 0.01 0.00 0.00 42.46 39.29 1vle s ILE 248 CO -0.05 -0.33 0.82 -0.62 0.00 0.00 0.00 174.94 174.75 1vle s ASP 249 N 1.59 -0.75 0.39 3.58 -1.08 -0.07 -1.23 116.67 119.09 1vle s ASP 249 Ca 0.00 1.21 0.17 0.00 -0.52 0.00 0.00 52.55 53.42 1vle s ASP 249 Cb -0.21 1.30 1.07 0.00 -1.46 0.00 0.00 42.92 43.62 1vle s ASP 249 CO 0.00 -0.19 1.77 -0.65 0.52 0.00 0.00 175.17 176.62 1vle h PRO 250 N 6.49 0.41 -5.69 4.34 0.11 -1.77 -3.36 132.00 132.53 1vle h PRO 250 Ca -0.29 -0.02 -0.66 0.00 0.11 0.00 0.00 66.00 65.13 1vle h PRO 250 Cb 1.21 -0.09 -0.15 0.00 0.11 0.00 0.00 31.00 32.08 1vle h PRO 250 CO 0.17 0.27 -0.60 -1.58 -0.21 0.00 0.00 178.00 176.06 1vle s HIS 251 N -5.53 3.22 -1.05 0.65 5.65 -1.26 -4.00 115.29 112.97 1vle s HIS 251 Ca -0.09 0.15 -0.23 0.00 0.25 0.00 0.00 55.06 55.14 1vle s HIS 251 Cb 0.25 -1.89 -0.01 0.00 -1.18 0.00 0.00 32.58 29.75 1vle s HIS 251 CO 0.80 0.37 1.77 1.41 -0.65 0.00 0.00 174.74 178.44 1vle s MET 252 N -0.46 3.05 1.25 2.88 1.75 -0.74 -4.93 119.30 122.09 1vle s MET 252 Ca 0.09 -0.96 -0.15 0.00 -1.25 0.00 0.00 55.69 53.42 1vle s MET 252 Cb -0.12 -5.25 0.32 0.00 2.84 0.00 0.00 34.83 32.61 1vle s MET 252 CO 0.02 -3.00 0.99 0.54 -0.65 0.00 0.00 175.02 172.92 1vle s ASN 253 N 6.29 0.30 0.37 1.11 2.20 -1.26 -4.52 114.94 119.43 1vle s ASN 253 Ca 0.61 1.36 0.04 0.00 -0.94 0.00 0.00 52.86 53.93 1vle s ASN 253 Cb -0.02 -2.09 0.72 0.00 -2.00 0.00 0.00 41.25 37.86 1vle s ASN 253 CO 0.01 -4.60 2.03 0.45 -2.94 0.00 0.00 177.10 172.05 1vle h HIS 254 N -2.90 0.69 -0.27 1.54 3.86 -1.95 0.10 115.15 116.23 1vle h HIS 254 Ca -0.59 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 58.57 1vle h HIS 254 Cb 1.34 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.57 1vle h HIS 254 CO -0.48 0.43 -0.06 1.15 0.86 0.00 0.00 177.93 179.83 1vle h THR 255 N 0.74 1.28 -0.76 2.45 2.02 -1.90 -2.67 112.91 114.08 1vle h THR 255 Ca 0.20 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1vle h THR 255 Cb -0.09 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1vle h THR 255 CO -0.04 0.34 0.47 0.00 0.37 0.00 0.00 175.52 176.66 1vle h ALA 256 N 0.78 0.97 0.00 6.16 0.00 -1.70 -1.06 119.26 124.41 1vle h ALA 256 Ca 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1vle h ALA 256 Cb 0.54 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1vle h ALA 256 CO 0.03 0.43 -0.02 0.00 0.00 0.00 0.00 179.25 179.69 1vle h ARG 257 N 1.04 0.00 0.07 0.00 3.08 -0.68 -1.16 114.38 116.73 1vle h ARG 257 Ca 0.27 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.96 1vle h ARG 257 Cb -0.05 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1vle h ARG 257 CO -0.05 0.02 -2.10 -0.11 -1.07 0.00 0.00 179.97 176.65 1vle n LEU 258 N -3.55 2.62 -0.24 3.04 7.94 -0.60 -4.79 117.00 121.41 1vle n LEU 258 Ca -0.03 0.14 0.01 0.00 -1.11 0.00 0.00 56.01 55.02 1vle n LEU 258 Cb 0.11 -1.02 0.02 0.00 0.53 0.00 0.00 43.42 43.06 1vle n LEU 258 CO 0.26 0.80 0.32 1.33 -1.11 0.00 0.00 177.39 178.98 1vle n VAL 259 N -3.57 0.35 -2.13 1.96 0.24 -0.50 -5.10 118.33 109.58 1vle n VAL 259 Ca -0.38 -0.40 -0.41 0.00 -2.04 0.00 0.00 64.34 61.11 1vle n VAL 259 Cb 0.98 0.55 -0.03 0.00 -1.47 0.00 0.00 33.84 33.87 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 -0.49 3.56 -0.13 2.33 0.00 -0.44 -4.68 121.76 121.90 1vle s ALA 260 Ca 0.04 1.21 0.19 0.00 0.00 0.00 0.00 51.96 53.40 1vle s ALA 260 Cb 0.04 -3.51 -0.17 0.00 0.00 0.00 0.00 23.12 19.48 1vle s ALA 260 CO 0.00 -0.62 0.69 -0.25 0.00 0.00 0.00 175.76 175.58 1vle n ASP 261 N 2.35 0.59 -3.60 0.00 10.43 0.62 -4.94 116.55 122.00 1vle n ASP 261 Ca 0.06 0.25 -0.14 0.00 2.57 0.00 0.00 54.79 57.53 1vle n ASP 261 Cb 0.42 0.64 -0.07 0.00 1.84 0.00 0.00 41.12 43.95 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 -3.03 0.81 -0.05 -1.24 2.47 -1.14 -5.02 119.74 112.53 1vle s LYS 262 Ca -0.04 0.69 0.03 0.00 -1.56 0.00 0.00 55.97 55.09 1vle s LYS 262 Cb 0.09 0.39 0.00 0.00 -1.46 0.00 0.00 37.83 36.86 1vle s LYS 262 CO 0.83 -0.15 -0.15 -0.46 0.16 0.00 0.00 175.35 175.58 1vle s TRP 263 N -0.12 1.60 -0.08 4.03 -0.00 -1.26 -0.93 118.94 122.18 1vle s TRP 263 Ca -0.02 -0.51 0.01 0.00 -0.00 0.00 0.00 56.10 55.58 1vle s TRP 263 Cb -0.04 -1.11 -0.02 0.00 -0.00 0.00 0.00 33.47 32.30 1vle s TRP 263 CO 0.02 -0.21 -0.11 -0.06 -0.00 0.00 0.00 176.95 176.58 1vle s PHE 264 N 0.29 2.81 -0.64 5.86 0.40 0.13 -4.97 117.98 121.85 1vle s PHE 264 Ca -0.08 -0.24 0.05 0.00 -0.60 0.00 0.00 56.93 56.06 1vle s PHE 264 Cb -0.13 -1.73 0.17 0.00 0.51 0.00 0.00 43.02 41.84 1vle s PHE 264 CO 0.03 0.11 0.46 0.45 0.70 0.00 0.00 175.22 176.97 1vle s SER 265 N -0.41 4.17 0.50 1.36 0.15 -1.26 -0.90 113.70 117.32 1vle s SER 265 Ca 0.05 -3.68 -0.21 0.00 0.70 0.00 0.00 55.95 52.81 1vle s SER 265 Cb -0.12 -1.40 -0.07 0.00 -1.71 0.00 0.00 66.02 62.71 1vle s SER 265 CO 0.02 -0.10 1.10 -2.16 1.20 0.00 0.00 173.24 173.30 1vle s PRO 266 N -1.14 3.64 0.58 5.44 0.04 -1.26 -4.66 135.00 137.64 1vle s PRO 266 Ca 0.26 1.56 -0.20 0.00 0.04 0.00 0.00 61.00 62.66 1vle s PRO 266 Cb -0.03 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1vle s PRO 266 CO -0.17 -0.60 1.28 0.15 0.04 0.00 0.00 177.00 177.70 1vle s LYS 267 N -3.09 3.00 0.27 4.56 1.02 -0.74 -4.20 119.74 120.56 1vle s LYS 267 Ca 0.68 2.03 -0.29 0.00 0.02 0.00 0.00 55.97 58.41 1vle s LYS 267 Cb -0.22 -2.07 -0.14 0.00 -0.52 0.00 0.00 37.83 34.87 1vle s LYS 267 CO 0.26 -1.24 1.01 0.44 -0.92 0.00 0.00 175.35 174.90 1vle n ILE 268 N -1.36 1.84 -1.92 2.17 -5.35 -1.26 -2.31 119.36 111.17 1vle n ILE 268 Ca 0.12 -0.46 -0.13 0.00 -0.27 0.00 0.00 62.75 62.02 1vle n ILE 268 Cb 0.47 -0.93 -0.02 0.00 -1.74 0.00 0.00 39.64 37.42 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 1.38 0.40 0.03 3.28 0.00 -1.26 -4.64 105.19 104.38 1vle n GLY 269 Ca 0.11 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.50 0.67 -0.26 2.61 -2.24 -0.98 -4.38 114.28 106.20 1vle n THR 270 Ca -0.14 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1vle n THR 270 Cb 0.54 0.62 0.13 0.00 -2.10 0.00 0.00 70.33 69.52 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 0.61 0.23 3.42 5.19 -1.91 -1.39 116.42 122.55 1vle h ASP 271 Ca 0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1vle h ASP 271 Cb 0.75 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1vle h ASP 271 CO 0.00 0.37 0.00 1.12 -3.12 0.00 0.00 179.24 177.61 1vle h HIS 272 N 0.74 0.00 -0.37 4.55 2.07 -1.88 0.55 115.15 120.82 1vle h HIS 272 Ca 0.34 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.75 1vle h HIS 272 Cb 0.26 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.23 1vle h HIS 272 CO -0.07 0.00 -0.21 0.00 -3.07 0.00 0.00 177.93 174.58 1vle h ALA 273 N 2.03 0.52 -0.21 6.11 0.00 -1.62 -1.22 119.26 124.87 1vle h ALA 273 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1vle h ALA 273 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1vle h ALA 273 CO 0.00 0.48 0.04 -0.07 0.00 0.00 0.00 179.25 179.69 1vle h LEU 274 N 0.58 0.33 -1.38 0.00 3.38 -0.95 -1.68 115.31 115.59 1vle h LEU 274 Ca 0.08 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1vle h LEU 274 Cb 0.76 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1vle h LEU 274 CO 0.06 0.51 0.43 0.77 0.09 0.00 0.00 178.44 180.30 1vle h SER 275 N 0.15 0.71 -0.18 -0.43 4.64 -1.34 -0.65 113.55 116.45 1vle h SER 275 Ca 0.06 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.23 1vle h SER 275 Cb 0.31 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1vle h SER 275 CO 0.00 0.50 -0.38 -0.26 -0.87 0.00 0.00 176.83 175.82 1vle h PHE 276 N 0.83 0.85 -0.35 4.77 -1.00 -0.99 -1.60 116.94 119.44 1vle h PHE 276 Ca 0.25 -0.24 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 1vle h PHE 276 Cb -0.01 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.35 1vle h PHE 276 CO -0.00 0.98 -0.21 0.00 -1.61 0.00 0.00 178.31 177.48 1vle h ALA 277 N 0.98 0.98 -0.17 2.45 0.00 -0.42 0.50 119.26 123.60 1vle h ALA 277 Ca 0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1vle h ALA 277 Cb 0.91 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1vle h ALA 277 CO 0.08 0.60 -0.05 0.82 0.00 0.00 0.00 179.25 180.70 1vle h ILE 278 N 0.60 1.30 -0.91 0.00 2.04 -1.01 -0.81 117.51 118.72 1vle h ILE 278 Ca 0.09 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1vle h ILE 278 Cb 0.68 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 1vle h ILE 278 CO 0.05 0.31 0.53 0.00 0.00 0.00 0.00 178.15 179.04 1vle h ALA 279 N 0.70 1.16 0.09 1.87 0.00 -1.14 -1.58 119.26 120.36 1vle h ALA 279 Ca 0.04 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1vle h ALA 279 Cb 0.50 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1vle h ALA 279 CO 0.02 0.64 -0.24 -0.92 0.00 0.00 0.00 179.25 178.74 1vle h TYR 280 N 1.26 -0.65 -0.82 0.00 3.20 -0.71 -0.42 116.97 118.83 1vle h TYR 280 Ca 0.32 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.31 1vle h TYR 280 Cb -0.02 0.28 -0.07 0.00 1.54 0.00 0.00 36.73 38.45 1vle h TYR 280 CO 0.01 -0.34 0.46 1.15 -1.64 0.00 0.00 178.16 177.79 1vle h THR 281 N -0.43 0.89 -0.64 1.81 2.02 -0.68 -0.38 112.91 115.51 1vle h THR 281 Ca 0.04 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 1vle h THR 281 Cb 0.47 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1vle h THR 281 CO -0.16 0.14 0.10 -0.50 0.37 0.00 0.00 175.52 175.47 1vle h TRP 282 N 0.77 1.10 -0.39 3.16 6.55 -0.80 -1.36 115.95 124.97 1vle h TRP 282 Ca 0.40 -0.15 -0.12 0.00 0.95 0.00 0.00 58.89 59.98 1vle h TRP 282 Cb 0.39 -0.31 -0.01 0.00 -0.86 0.00 0.00 29.16 28.37 1vle h TRP 282 CO -0.07 0.93 -0.22 -0.07 -1.05 0.00 0.00 178.44 177.96 1vle h LEU 283 N 0.98 0.87 -1.19 -4.49 3.38 -0.17 0.11 115.31 114.80 1vle h LEU 283 Ca 0.20 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1vle h LEU 283 Cb 0.42 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1vle h LEU 283 CO 0.01 1.10 -0.33 0.11 0.09 0.00 0.00 178.44 179.42 1vle h LYS 284 N 0.65 0.00 -0.29 1.13 1.79 -0.94 -3.13 116.57 115.77 1vle h LYS 284 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1vle h LYS 284 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1vle h LYS 284 CO 0.06 0.33 0.00 0.39 -1.08 0.00 0.00 179.45 179.16 1vle n GLU 285 N -3.69 2.87 -4.31 3.15 1.02 -0.53 -4.97 120.64 114.19 1vle n GLU 285 Ca -0.01 -2.25 -0.38 0.00 -0.02 0.00 0.00 57.16 54.50 1vle n GLU 285 Cb 0.44 -1.42 -0.04 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.12 -2.57 -3.59 1.62 9.92 0.16 -4.85 116.55 117.37 1vle n ASP 286 Ca 0.14 -1.09 -0.40 0.00 -0.53 0.00 0.00 54.79 52.91 1vle n ASP 286 Cb 0.55 -2.39 0.01 0.00 -0.64 0.00 0.00 41.12 38.66 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 -2.62 6.97 -3.89 -2.24 3.41 0.03 -4.96 113.62 110.32 1vle n SER 287 Ca 0.05 -3.67 -0.08 0.00 -0.26 0.00 0.00 58.87 54.92 1vle n SER 287 Cb 0.50 -1.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 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 -4.13 -0.04 -1.19 7.33 1.13 -1.26 -4.75 117.35 114.45 1vle s TYR 288 Ca 0.40 -0.39 -0.20 0.00 -1.41 0.00 0.00 57.07 55.47 1vle s TYR 288 Cb 0.19 0.55 0.06 0.00 -1.10 0.00 0.00 41.96 41.65 1vle s TYR 288 CO -0.11 -1.15 1.64 0.34 -2.51 0.00 0.00 175.55 173.76 1vle s ASP 289 N -2.94 6.64 0.23 -0.18 -1.08 -0.16 -4.84 116.67 114.33 1vle s ASP 289 Ca 0.14 -2.03 -0.07 0.00 -0.52 0.00 0.00 52.55 50.07 1vle s ASP 289 Cb -0.04 -2.58 0.21 0.00 -1.46 0.00 0.00 42.92 39.05 1vle s ASP 289 CO 0.07 -1.37 1.88 0.11 0.52 0.00 0.00 175.17 176.38 1vle h LYS 290 N 8.51 1.22 -0.13 4.34 1.57 -1.96 -1.62 116.57 128.51 1vle h LYS 290 Ca 0.35 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1vle h LYS 290 Cb 0.93 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1vle h LYS 290 CO 1.44 0.84 -0.04 0.93 -0.57 0.00 0.00 179.45 182.05 1vle h GLU 291 N 1.24 -0.02 0.09 3.15 3.07 -1.98 0.13 114.58 120.26 1vle h GLU 291 Ca 0.32 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.20 1vle h GLU 291 Cb -0.07 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 1vle h GLU 291 CO -0.06 -0.01 -0.19 -0.92 -1.40 0.00 0.00 179.01 176.43 1vle h TYR 292 N -0.02 -0.49 -0.73 4.33 3.20 -1.89 -2.46 116.97 118.91 1vle h TYR 292 Ca 0.07 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.97 1vle h TYR 292 Cb 0.12 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1vle h TYR 292 CO -0.18 -0.27 0.46 0.28 -1.64 0.00 0.00 178.16 176.81 1vle h VAL 293 N -0.35 1.11 0.00 1.81 2.07 -1.02 0.28 116.25 120.15 1vle h VAL 293 Ca 0.03 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1vle h VAL 293 Cb 0.38 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1vle h VAL 293 CO -0.11 0.17 -0.04 0.00 0.02 0.00 0.00 177.57 177.60 1vle h ALA 294 N 1.30 1.62 0.00 1.67 0.00 -0.47 -1.67 119.26 121.71 1vle h ALA 294 Ca 0.29 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1vle h ALA 294 Cb -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1vle h ALA 294 CO -0.10 0.05 -2.05 0.00 0.00 0.00 0.00 179.25 177.15 1vle n ALA 295 N -2.39 2.14 0.12 0.00 0.00 -0.75 -4.65 120.51 114.97 1vle n ALA 295 Ca -0.03 -0.82 0.03 0.00 0.00 0.00 0.00 53.44 52.63 1vle n ALA 295 Cb 0.13 -0.39 0.05 0.00 0.00 0.00 0.00 19.45 19.23 1vle n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vle n ASN 296 N -2.41 1.91 -4.56 0.00 3.02 0.91 -4.98 115.26 109.15 1vle n ASN 296 Ca -0.16 -1.55 -0.27 0.00 -0.03 0.00 0.00 54.58 52.57 1vle n ASN 296 Cb 0.79 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.82 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 -0.70 2.91 -0.05 5.41 0.00 -0.64 0.06 121.76 128.75 1vle s ALA 297 Ca 0.09 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.60 1vle s ALA 297 Cb 0.06 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.48 1vle s ALA 297 CO 0.08 0.47 -0.09 -1.58 0.00 0.00 0.00 175.76 174.64 1vle s HIS 298 N -1.68 1.16 -0.73 0.00 2.46 0.31 -4.74 115.29 112.06 1vle s HIS 298 Ca 0.24 -0.38 0.00 0.00 0.47 0.00 0.00 55.06 55.39 1vle s HIS 298 Cb -0.09 -0.88 0.00 0.00 -0.13 0.00 0.00 32.58 31.48 1vle s HIS 298 CO 0.15 -0.22 0.00 0.41 -2.47 0.00 0.00 174.74 172.61 1vle n GLY 299 N 3.79 0.77 0.21 1.59 0.00 -1.26 -0.99 105.19 109.30 1vle n GLY 299 Ca -0.23 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 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 0.69 -0.13 1.61 3.57 -1.92 -2.22 116.94 118.54 1vle h PHE 300 Ca -0.15 -0.25 0.01 0.00 3.53 0.00 0.00 57.97 61.10 1vle h PHE 300 Cb 0.59 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1vle h PHE 300 CO 0.20 0.99 0.05 0.93 -2.23 0.00 0.00 178.31 178.25 1vle h GLU 301 N 0.41 0.12 -0.66 1.11 3.07 -1.97 0.15 114.58 116.80 1vle h GLU 301 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1vle h GLU 301 Cb 1.13 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.99 1vle h GLU 301 CO 0.11 0.08 0.37 0.93 -1.40 0.00 0.00 179.01 179.09 1vle h GLU 302 N 0.12 0.92 -0.38 2.33 3.07 -1.97 -2.03 114.58 116.63 1vle h GLU 302 Ca 0.05 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1vle h GLU 302 Cb 0.02 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 1vle h GLU 302 CO -0.05 0.69 0.24 2.35 -1.40 0.00 0.00 179.01 180.84 1vle h TRP 303 N 0.90 0.49 -0.94 4.33 7.01 -0.93 -2.48 115.95 124.33 1vle h TRP 303 Ca 0.23 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.29 1vle h TRP 303 Cb 0.03 -0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 26.87 1vle h TRP 303 CO -0.01 0.33 0.60 0.00 -2.79 0.00 0.00 178.44 176.58 1vle h ALA 304 N 1.12 1.27 -0.68 2.65 0.00 -0.43 -0.25 119.26 122.93 1vle h ALA 304 Ca 0.14 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1vle h ALA 304 Cb -0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1vle h ALA 304 CO -0.03 0.43 0.45 -0.44 0.00 0.00 0.00 179.25 179.66 1vle h ASP 305 N 1.14 0.77 0.12 0.00 3.32 -0.94 -0.10 116.42 120.73 1vle h ASP 305 Ca 0.39 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.42 1vle h ASP 305 Cb 0.08 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1vle h ASP 305 CO -0.15 0.55 -0.06 0.22 -1.72 0.00 0.00 179.24 178.08 1vle h TYR 306 N 0.90 -0.15 -0.81 4.55 3.20 -0.79 0.08 116.97 123.95 1vle h TYR 306 Ca 0.26 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.25 1vle h TYR 306 Cb -0.06 0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.17 1vle h TYR 306 CO -0.00 0.22 0.42 0.28 -1.64 0.00 0.00 178.16 177.44 1vle h VAL 307 N -0.56 0.79 0.00 1.81 2.07 -0.71 0.48 116.25 120.14 1vle h VAL 307 Ca -0.02 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1vle h VAL 307 Cb 0.44 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1vle h VAL 307 CO 0.03 0.12 0.00 0.18 0.02 0.00 0.00 177.57 177.92 1vle n LEU 308 N -4.85 0.00 -0.21 2.57 4.77 -0.09 -1.21 117.00 117.99 1vle n LEU 308 Ca 0.15 0.18 -0.03 0.00 -0.03 0.00 0.00 56.01 56.28 1vle n LEU 308 Cb 0.36 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1vle n LEU 308 CO 0.23 -0.06 -0.03 0.61 -1.33 0.00 0.00 177.39 176.81 1vle n GLY 309 N 0.41 0.59 0.10 -0.72 0.00 0.17 -4.09 105.19 101.65 1vle n GLY 309 Ca 0.12 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 0.37 0.20 0.00 1.61 1.57 -1.18 -0.34 116.57 118.80 1vle h LYS 310 Ca -0.06 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.50 1vle h LYS 310 Cb 0.32 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1vle h LYS 310 CO 0.08 0.52 -0.68 1.79 -0.57 0.00 0.00 179.45 180.60 1vle h THR 311 N -0.13 1.25 -0.00 -0.16 1.35 -1.86 -3.33 112.91 110.02 1vle h THR 311 Ca 0.02 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 1vle h THR 311 Cb 0.45 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1vle h THR 311 CO 0.01 0.66 -0.48 -0.90 -0.25 0.00 0.00 175.52 174.56 1vle n ASP 312 N -3.39 0.58 0.00 5.36 3.85 -1.25 -5.00 116.55 116.70 1vle n ASP 312 Ca 0.01 -0.79 0.00 0.00 -0.71 0.00 0.00 54.79 53.30 1vle n ASP 312 Cb 0.76 0.95 0.00 0.00 -1.35 0.00 0.00 41.12 41.48 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 1.23 0.77 2.86 6.12 0.00 -0.15 -5.03 105.19 110.99 1vle n GLY 313 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.83 1.71 0.24 2.61 2.01 -1.16 -4.97 115.64 113.25 1vle s THR 314 Ca 0.00 -2.25 -0.31 0.00 0.31 0.00 0.00 61.69 59.44 1vle s THR 314 Cb 0.00 -2.25 -0.11 0.00 0.01 0.00 0.00 72.50 70.15 1vle s THR 314 CO 0.00 -0.72 1.63 -2.84 -0.69 0.00 0.00 174.62 172.01 1vle s PRO 315 N 0.82 4.14 -1.51 4.92 0.02 -1.26 -3.93 135.00 138.20 1vle s PRO 315 Ca 0.13 2.55 -0.12 0.00 0.02 0.00 0.00 61.00 63.57 1vle s PRO 315 Cb -0.21 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 31.25 1vle s PRO 315 CO -0.10 -0.66 2.48 1.63 -0.33 0.00 0.00 177.00 180.02 1vle n LYS 316 N 3.08 3.18 -1.53 5.54 4.76 -0.35 -4.88 118.16 127.97 1vle n LYS 316 Ca 0.12 -2.49 -0.30 0.00 -2.87 0.00 0.00 58.31 52.77 1vle n LYS 316 Cb 0.37 -3.11 0.10 0.00 -1.84 0.00 0.00 35.03 30.56 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 2.74 2.79 0.28 -0.18 -4.23 -1.26 -3.76 115.64 112.03 1vle s THR 317 Ca 0.55 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 1vle s THR 317 Cb 0.15 -2.99 0.12 0.00 1.34 0.00 0.00 72.50 71.12 1vle s THR 317 CO -0.08 -0.34 1.79 0.00 -0.54 0.00 0.00 174.62 175.45 1vle h GLU 319 N 0.63 1.12 -0.66 0.00 3.07 -1.93 0.20 114.58 117.02 1vle h GLU 319 Ca 0.12 -0.24 -0.05 0.00 -0.50 0.00 0.00 59.36 58.70 1vle h GLU 319 Cb 0.44 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 1vle h GLU 319 CO 0.02 0.95 0.23 2.35 -1.40 0.00 0.00 179.01 181.17 1vle h TRP 320 N 1.07 1.03 -0.13 4.33 7.01 -1.77 -1.71 115.95 125.79 1vle h TRP 320 Ca 0.23 -0.09 -0.10 0.00 2.11 0.00 0.00 58.89 61.04 1vle h TRP 320 Cb 0.31 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 1vle h TRP 320 CO 0.02 0.83 -0.36 0.00 -2.79 0.00 0.00 178.44 176.14 1vle h ALA 321 N 1.09 1.15 -0.21 2.65 0.00 -0.64 -2.69 119.26 120.62 1vle h ALA 321 Ca 0.21 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1vle h ALA 321 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1vle h ALA 321 CO -0.01 0.56 0.05 1.49 0.00 0.00 0.00 179.25 181.34 1vle h GLU 322 N 0.24 0.33 0.00 0.00 4.81 -0.08 0.58 114.58 120.45 1vle h GLU 322 Ca 0.03 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1vle h GLU 322 Cb 0.75 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 1vle h GLU 322 CO 0.06 0.44 -0.01 1.49 -0.73 0.00 0.00 179.01 180.25 1vle h GLU 323 N 0.15 0.00 0.17 1.92 4.81 -1.15 0.72 114.58 121.19 1vle h GLU 323 Ca 0.07 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.95 1vle h GLU 323 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1vle h GLU 323 CO -0.00 0.01 -1.77 0.93 -0.73 0.00 0.00 179.01 177.45 1vle h GLU 324 N 0.00 0.35 0.00 1.92 4.39 -1.12 -3.41 114.58 116.71 1vle h GLU 324 Ca -0.00 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.10 1vle h GLU 324 Cb 0.03 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1vle h GLU 324 CO 0.00 1.29 -1.75 -1.13 -1.16 0.00 0.00 179.01 176.27 1vle n SER 325 N -3.61 1.01 0.00 1.42 3.41 0.16 -4.76 113.62 111.25 1vle n SER 325 Ca -0.26 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1vle n SER 325 Cb 1.05 1.76 0.00 0.00 -0.26 0.00 0.00 64.21 66.76 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 1.51 1.69 3.71 5.00 0.00 0.25 -1.80 105.19 115.54 1vle n GLY 326 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.56 4.78 0.10 1.61 1.01 -1.26 -4.98 120.40 119.10 1vle s VAL 327 Ca 0.00 2.00 -0.35 0.00 0.00 0.00 0.00 61.98 63.63 1vle s VAL 327 Cb 0.00 -4.28 -0.15 0.00 0.00 0.00 0.00 36.38 31.95 1vle s VAL 327 CO 0.00 0.12 1.49 -2.65 0.00 0.00 0.00 175.10 174.06 1vle n PRO 328 N 4.16 1.67 -0.16 2.72 -0.02 -1.26 -4.05 135.00 138.06 1vle n PRO 328 Ca 0.07 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 62.13 1vle n PRO 328 Cb 0.50 -2.32 0.06 0.00 -0.02 0.00 0.00 33.50 31.73 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 5.52 0.50 -0.78 3.55 0.00 -1.93 -1.76 119.26 124.37 1vle h ALA 329 Ca -0.46 0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.62 1vle h ALA 329 Cb 1.29 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 1vle h ALA 329 CO 0.84 -0.36 0.49 0.00 0.00 0.00 0.00 179.25 180.22 1vle h GLU 331 N 0.92 0.37 -0.13 0.00 5.08 -1.73 0.79 114.58 119.89 1vle h GLU 331 Ca 0.32 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1vle h GLU 331 Cb 0.08 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1vle h GLU 331 CO -0.14 0.57 -0.06 0.82 -1.00 0.00 0.00 179.01 179.20 1vle h ILE 332 N 0.34 1.31 -0.37 3.13 2.04 -0.53 -2.04 117.51 121.39 1vle h ILE 332 Ca 0.06 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1vle h ILE 332 Cb 0.55 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1vle h ILE 332 CO 0.04 0.31 0.24 -0.09 0.00 0.00 0.00 178.15 178.65 1vle h ARG 333 N -0.08 0.49 -0.23 2.37 2.43 -0.89 -1.03 114.38 117.44 1vle h ARG 333 Ca 0.03 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1vle h ARG 333 Cb 0.51 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.89 1vle h ARG 333 CO 0.02 0.34 -0.22 0.00 -1.51 0.00 0.00 179.97 178.60 1vle h ALA 334 N 1.12 -0.09 -0.82 2.80 0.00 -0.78 0.84 119.26 122.33 1vle h ALA 334 Ca 0.14 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1vle h ALA 334 Cb -0.04 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1vle h ALA 334 CO -0.03 -0.64 0.54 1.25 0.00 0.00 0.00 179.25 180.37 1vle h LEU 335 N -0.23 0.93 -0.28 0.00 5.85 -1.08 -0.37 115.31 120.13 1vle h LEU 335 Ca 0.13 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1vle h LEU 335 Cb 0.43 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1vle h LEU 335 CO -0.37 0.67 0.18 0.00 -0.34 0.00 0.00 178.44 178.59 1vle h ALA 336 N 1.30 0.36 -0.49 1.25 0.00 -0.19 0.17 119.26 121.66 1vle h ALA 336 Ca 0.30 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1vle h ALA 336 Cb -0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1vle h ALA 336 CO -0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 179.25 178.96 1vle h ARG 337 N 0.38 0.87 -0.14 0.00 3.08 -0.54 -1.42 114.38 116.61 1vle h ARG 337 Ca 0.10 -0.28 -0.18 0.00 0.07 0.00 0.00 59.98 59.70 1vle h ARG 337 Cb -0.03 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 1vle h ARG 337 CO -0.02 0.91 -0.65 0.37 -1.07 0.00 0.00 179.97 179.51 1vle h GLN 338 N 0.79 0.52 -0.43 0.04 5.75 -0.83 -2.69 115.11 118.26 1vle h GLN 338 Ca 0.14 -0.37 -0.02 0.00 -0.15 0.00 0.00 58.65 58.24 1vle h GLN 338 Cb 0.56 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 1vle h GLN 338 CO 0.03 0.99 0.18 2.35 -2.65 0.00 0.00 178.83 179.73 1vle h TRP 339 N 0.37 0.64 -0.35 3.99 2.91 -0.47 -1.49 115.95 121.56 1vle h TRP 339 Ca -0.01 -0.05 -0.02 0.00 1.13 0.00 0.00 58.89 59.94 1vle h TRP 339 Cb 1.21 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 29.66 1vle h TRP 339 CO 0.05 0.56 0.12 0.00 -1.03 0.00 0.00 178.44 178.14 1vle h ALA 340 N 1.02 0.45 -0.00 2.65 0.00 -1.18 -3.22 119.26 118.98 1vle h ALA 340 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vle h ALA 340 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1vle h ALA 340 CO -0.01 0.07 -0.34 0.36 0.00 0.00 0.00 179.25 179.33 1vle n LYS 341 N -4.67 0.10 -4.25 0.00 2.85 -1.02 -4.91 118.16 106.26 1vle n LYS 341 Ca -0.01 -0.05 -0.25 0.00 -1.05 0.00 0.00 58.31 56.96 1vle n LYS 341 Cb 0.15 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 32.96 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 -2.94 2.36 -0.69 -1.58 -0.14 -0.57 -5.04 119.74 111.15 1vle s LYS 342 Ca 0.14 -1.26 -0.26 0.00 -1.36 0.00 0.00 55.97 53.23 1vle s LYS 342 Cb 0.18 -2.27 -0.01 0.00 -1.68 0.00 0.00 37.83 34.06 1vle s LYS 342 CO 0.63 0.41 1.69 -0.80 -0.76 0.00 0.00 175.35 176.52 1vle s ASN 343 N -3.34 5.56 -0.13 2.83 0.01 -1.26 -4.82 114.94 113.79 1vle s ASN 343 Ca 0.29 -0.06 -0.01 0.00 -0.71 0.00 0.00 52.86 52.37 1vle s ASN 343 Cb -0.08 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 1vle s ASN 343 CO 0.19 -2.23 -0.09 -0.89 -1.51 0.00 0.00 177.10 172.57 1vle s THR 344 N 8.08 3.41 -0.15 1.60 2.01 -1.05 -1.06 115.64 128.48 1vle s THR 344 Ca 0.58 -0.54 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 1vle s THR 344 Cb -0.10 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1vle s THR 344 CO 0.16 0.53 0.02 -0.31 -0.69 0.00 0.00 174.62 174.32 1vle s TYR 345 N 0.17 3.18 -0.47 4.92 1.51 -0.76 -3.78 117.35 122.13 1vle s TYR 345 Ca -0.05 0.01 -0.22 0.00 -1.01 0.00 0.00 57.07 55.80 1vle s TYR 345 Cb -0.15 -1.97 0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1vle s TYR 345 CO 0.04 0.19 0.77 -1.17 -1.11 0.00 0.00 175.55 174.27 1vle s LEU 346 N 0.02 4.35 -1.23 -1.29 2.96 -0.07 -1.56 118.68 121.86 1vle s LEU 346 Ca 0.04 -0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 53.58 1vle s LEU 346 Cb -0.13 -2.85 0.19 0.00 0.50 0.00 0.00 46.19 43.91 1vle s LEU 346 CO 0.02 -0.94 1.68 0.00 -1.32 0.00 0.00 176.35 175.79 1vle n ALA 347 N 6.69 4.94 -2.65 5.97 0.00 0.14 -0.91 120.51 134.69 1vle n ALA 347 Ca 0.01 -4.38 -0.43 0.00 0.00 0.00 0.00 53.44 48.63 1vle n ALA 347 Cb 0.48 -2.89 -0.02 0.00 0.00 0.00 0.00 19.45 17.02 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 0.14 3.59 0.12 0.00 0.00 -1.26 -0.77 121.76 123.59 1vle s ALA 348 Ca 0.39 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1vle s ALA 348 Cb 0.05 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1vle s ALA 348 CO 0.01 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 174.94 1vle n GLY 349 N 3.63 -2.38 0.11 0.00 0.00 -0.18 -0.86 105.19 105.51 1vle n GLY 349 Ca 0.11 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.31 0.00 0.00 -0.02 0.00 -1.70 -3.35 103.07 97.70 1vle h GLY 350 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 1vle h GLY 350 CO 0.01 0.00 -2.12 -0.10 0.00 0.00 0.00 176.54 174.33 1vle n LEU 351 N -2.33 0.00 0.00 3.11 7.94 -1.26 -3.77 117.00 120.69 1vle n LEU 351 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1vle n LEU 351 Cb 0.45 0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.58 1vle n LEU 351 CO 0.33 0.18 0.00 0.61 -1.11 0.00 0.00 177.39 177.40 1vle n GLY 352 N 1.47 0.76 0.00 -3.96 0.00 -1.24 -4.60 105.19 97.62 1vle n GLY 352 Ca -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.74 7.00 -0.02 0.00 -0.04 -4.13 105.19 108.74 1vle n GLY 353 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.51 0.00 0.00 1.61 8.01 -1.26 -3.90 117.44 121.39 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 0.05 0.00 0.00 -2.01 0.00 0.00 31.31 29.35 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 1.90 0.39 6.99 0.00 -1.26 -4.13 105.19 109.08 1vle n GLY 355 Ca 0.00 -1.43 0.21 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.94 0.48 103.07 103.59 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 1.54 1.25 0.00 3.60 0.00 -1.88 -2.29 119.26 121.48 1vle h ALA 357 Ca 0.22 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1vle h ALA 357 Cb 1.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1vle h ALA 357 CO -0.00 0.07 -0.30 0.00 0.00 0.00 0.00 179.25 179.02 1vle n ARG 359 N -3.30 2.74 -3.91 0.00 1.85 -0.86 -0.55 116.66 112.63 1vle n ARG 359 Ca 0.01 -4.53 -0.08 0.00 -1.00 0.00 0.00 57.85 52.25 1vle n ARG 359 Cb 0.55 -2.38 -0.02 0.00 -1.05 0.00 0.00 32.46 29.56 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 -1.78 -0.71 -0.42 2.89 0.00 -1.25 -1.82 121.76 118.67 1vle s ALA 360 Ca 0.30 -0.64 0.18 0.00 0.00 0.00 0.00 51.96 51.80 1vle s ALA 360 Cb -0.01 0.90 0.92 0.00 0.00 0.00 0.00 23.12 24.93 1vle s ALA 360 CO -0.08 -0.96 1.55 -1.13 0.00 0.00 0.00 175.76 175.13 1vle n SER 361 N -0.68 0.46 -0.22 0.00 3.41 -1.23 -1.16 113.62 114.20 1vle n SER 361 Ca -0.04 0.69 0.05 0.00 -0.26 0.00 0.00 58.87 59.32 1vle n SER 361 Cb 0.60 -0.76 0.10 0.00 -0.26 0.00 0.00 64.21 63.90 1vle n SER 361 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vle n HIS 362 N -2.09 0.18 0.05 7.33 1.44 -1.26 -4.45 115.22 116.42 1vle n HIS 362 Ca -0.00 -0.73 0.16 0.00 -2.01 0.00 0.00 57.72 55.13 1vle n HIS 362 Cb 0.06 -0.12 0.64 0.00 0.12 0.00 0.00 29.99 30.70 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 0.49 0.10 0.56 -1.39 0.00 -1.20 -1.73 103.07 99.90 1vle h GLY 363 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1vle h GLY 363 CO 0.03 0.02 -0.02 -2.22 0.00 0.00 0.00 176.54 174.34 1vle h ILE 364 N 0.07 1.38 0.00 2.60 2.04 -1.80 -2.46 117.51 119.34 1vle h ILE 364 Ca 0.19 -1.15 -0.11 0.00 1.00 0.00 0.00 64.86 64.79 1vle h ILE 364 Cb 0.67 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 1vle h ILE 364 CO -0.01 0.31 -0.51 -0.33 0.00 0.00 0.00 178.15 177.60 1vle h GLU 365 N -0.40 0.00 -0.01 2.37 4.39 -1.85 -1.26 114.58 117.81 1vle h GLU 365 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1vle h GLU 365 Cb 0.51 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1vle h GLU 365 CO 0.01 0.51 -0.00 2.35 -1.16 0.00 0.00 179.01 180.72 1vle h TRP 366 N 0.00 0.02 -0.30 4.33 7.01 -1.35 0.25 115.95 125.92 1vle h TRP 366 Ca -0.01 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1vle h TRP 366 Cb 1.01 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 28.05 1vle h TRP 366 CO 0.00 0.36 0.19 0.00 -2.79 0.00 0.00 178.44 176.20 1vle h ALA 367 N 0.66 0.38 -0.08 2.65 0.00 -1.37 0.61 119.26 122.10 1vle h ALA 367 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1vle h ALA 367 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1vle h ALA 367 CO 0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 179.25 178.82 1vle h ARG 368 N 0.39 0.14 -0.49 0.00 3.08 -1.21 -2.21 114.38 114.08 1vle h ARG 368 Ca 0.11 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1vle h ARG 368 Cb -0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1vle h ARG 368 CO -0.04 0.41 0.06 0.78 -1.07 0.00 0.00 179.97 180.11 1vle h GLY 369 N 0.93 0.88 1.20 0.04 0.00 0.42 0.85 103.07 107.40 1vle h GLY 369 Ca 0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 1vle h GLY 369 CO 0.04 0.55 0.25 -0.33 0.00 0.00 0.00 176.54 177.05 1vle h MET 370 N 0.69 1.01 -0.25 4.80 2.86 -0.49 -1.17 114.93 122.38 1vle h MET 370 Ca 0.15 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1vle h MET 370 Cb 0.41 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1vle h MET 370 CO 0.01 0.84 -0.05 0.82 1.06 0.00 0.00 176.91 179.59 1vle h ILE 371 N 0.99 1.28 -0.37 -1.22 2.04 -1.16 -1.51 117.51 117.56 1vle h ILE 371 Ca 0.23 -1.06 0.06 0.00 1.00 0.00 0.00 64.86 65.09 1vle h ILE 371 Cb 0.22 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 1vle h ILE 371 CO -0.02 0.33 0.04 0.00 0.00 0.00 0.00 178.15 178.50 1vle h ALA 372 N 0.77 0.37 0.10 1.87 0.00 -0.39 0.15 119.26 122.12 1vle h ALA 372 Ca 0.06 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1vle h ALA 372 Cb 0.52 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1vle h ALA 372 CO 0.02 -0.36 -0.05 -0.07 0.00 0.00 0.00 179.25 178.79 1vle h LEU 373 N 0.15 -0.11 -1.34 0.00 4.07 -1.19 -1.32 115.31 115.57 1vle h LEU 373 Ca 0.18 -0.24 0.05 0.00 0.08 0.00 0.00 57.88 57.95 1vle h LEU 373 Cb 0.23 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.95 1vle h LEU 373 CO -0.27 0.18 0.48 0.00 -1.08 0.00 0.00 178.44 177.76 1vle h ALA 374 N 0.46 1.64 0.09 1.53 0.00 -1.09 -2.52 119.26 119.38 1vle h ALA 374 Ca -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1vle h ALA 374 Cb 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1vle h ALA 374 CO 0.02 0.26 -0.04 1.15 0.00 0.00 0.00 179.25 180.63 1vle h THR 375 N 0.82 1.06 -0.47 0.00 2.02 -0.55 -1.89 112.91 113.90 1vle h THR 375 Ca 0.31 -0.56 0.14 0.00 0.77 0.00 0.00 66.41 67.06 1vle h THR 375 Cb 0.18 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1vle h THR 375 CO -0.10 0.14 0.37 0.24 0.37 0.00 0.00 175.52 176.54 1vle h MET 376 N -0.38 0.00 -0.58 6.66 2.07 -0.82 0.14 114.93 122.02 1vle h MET 376 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1vle h MET 376 Cb 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.05 1vle h MET 376 CO 0.02 0.00 0.00 1.04 1.07 0.00 0.00 176.91 179.04 1vle n GLN 377 N -4.22 2.49 -2.73 1.72 1.13 -1.04 -0.99 117.38 113.74 1vle n GLN 377 Ca 0.08 -2.10 -0.10 0.00 -1.94 0.00 0.00 57.00 52.94 1vle n GLN 377 Cb 0.57 -1.51 0.05 0.00 0.11 0.00 0.00 30.24 29.46 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 1.32 -0.56 3.72 1.08 0.00 0.50 -4.80 105.19 106.46 1vle n GLY 378 Ca 0.19 0.33 -0.42 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.71 2.39 0.00 1.61 0.00 -0.72 -2.96 117.12 114.73 1vle n MET 379 Ca -0.05 0.84 0.00 0.00 0.00 0.00 0.00 57.70 58.49 1vle n MET 379 Cb 0.58 -2.53 0.00 0.00 0.00 0.00 0.00 33.22 31.28 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 1.30 1.29 3.88 3.17 0.00 -0.20 -4.46 105.19 110.17 1vle n GLY 380 Ca 0.06 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.61 0.17 1.61 -2.85 -1.16 -3.77 119.74 117.36 1vle s LYS 381 Ca 0.00 0.65 -0.34 0.00 -1.00 0.00 0.00 55.97 55.29 1vle s LYS 381 Cb 0.00 -2.15 -0.15 0.00 -2.06 0.00 0.00 37.83 33.48 1vle s LYS 381 CO 0.00 -0.47 1.42 -2.30 0.10 0.00 0.00 175.35 174.10 1vle n PRO 382 N -2.56 1.77 -0.98 1.78 -0.02 -1.26 -1.83 135.00 131.90 1vle n PRO 382 Ca 0.05 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1vle n PRO 382 Cb 0.54 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 2.68 0.73 2.90 -1.23 0.00 -1.26 -4.99 105.19 104.01 1vle n GLY 383 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.54 0.66 -0.09 1.61 0.15 -0.76 -2.54 113.70 110.18 1vle s SER 384 Ca 0.00 0.38 -0.32 0.00 0.70 0.00 0.00 55.95 56.71 1vle s SER 384 Cb 0.00 0.45 0.14 0.00 -1.71 0.00 0.00 66.02 64.90 1vle s SER 384 CO 0.00 -0.25 1.42 0.21 1.20 0.00 0.00 173.24 175.82 1vle s ASN 385 N 2.35 -0.00 -0.26 5.45 3.84 -1.25 -1.03 114.94 124.03 1vle s ASN 385 Ca 0.03 -0.01 -0.17 0.00 0.21 0.00 0.00 52.86 52.92 1vle s ASN 385 Cb -0.12 0.02 -0.03 0.00 -0.55 0.00 0.00 41.25 40.56 1vle s ASN 385 CO -0.07 -0.03 0.45 -0.32 -2.79 0.00 0.00 177.10 174.34 1vle s MET 386 N -2.03 4.06 -0.27 0.43 -2.45 -1.26 -0.89 119.30 116.88 1vle s MET 386 Ca 0.18 0.20 -0.15 0.00 -1.25 0.00 0.00 55.69 54.67 1vle s MET 386 Cb 0.06 -3.64 0.08 0.00 1.25 0.00 0.00 34.83 32.59 1vle s MET 386 CO -0.06 -0.29 0.67 -0.46 1.05 0.00 0.00 175.02 175.93 1vle s TRP 387 N 2.12 -1.07 -1.19 4.11 -0.00 -0.09 -4.88 118.94 117.94 1vle s TRP 387 Ca 0.19 2.11 0.18 0.00 -0.00 0.00 0.00 56.10 58.58 1vle s TRP 387 Cb -0.16 0.63 0.67 0.00 -0.00 0.00 0.00 33.47 34.62 1vle s TRP 387 CO 0.09 -0.53 1.58 0.43 -0.00 0.00 0.00 176.95 178.52 1vle n SER 388 N 4.43 4.48 0.00 5.86 7.64 -1.26 -3.09 113.62 131.68 1vle n SER 388 Ca -0.19 -2.38 0.00 0.00 1.01 0.00 0.00 58.87 57.31 1vle n SER 388 Cb 0.58 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 1.08 0.00 -0.08 0.44 -2.24 -1.26 -4.83 114.28 107.39 1vle n THR 389 Ca 0.24 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.93 1vle n THR 389 Cb 0.82 -0.45 -0.15 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.14 1.45 -3.67 4.28 -2.24 -1.26 -4.87 114.28 105.82 1vle n THR 390 Ca 0.00 -0.84 -0.03 0.00 -2.27 0.00 0.00 64.05 60.92 1vle n THR 390 Cb 0.13 -0.64 -0.00 0.00 -2.10 0.00 0.00 70.33 67.72 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 -2.84 1.53 -0.49 -0.78 6.02 -1.26 -4.17 117.38 115.39 1vle n GLN 391 Ca -0.29 -0.35 0.00 0.00 -0.01 0.00 0.00 57.00 56.35 1vle n GLN 391 Cb 1.13 0.05 0.00 0.00 1.02 0.00 0.00 30.24 32.44 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 4.36 0.75 3.76 1.08 0.00 -1.22 -4.35 105.19 109.57 1vle n GLY 392 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.80 2.50 0.00 1.61 1.01 -1.19 -1.96 120.40 119.56 1vle s VAL 393 Ca 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1vle s VAL 393 Cb 0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 1vle s VAL 393 CO 0.00 0.10 1.66 -2.65 0.00 0.00 0.00 175.10 174.21 1vle n PRO 394 N 1.41 0.81 -1.52 2.72 -0.02 -1.26 -4.62 135.00 132.52 1vle n PRO 394 Ca 0.03 -0.32 -0.30 0.00 -2.02 0.00 0.00 63.50 60.89 1vle n PRO 394 Cb 0.40 -1.57 0.08 0.00 -0.02 0.00 0.00 33.50 32.39 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 2.73 -0.81 2.45 1.43 -1.26 -4.73 118.68 118.48 1vle s LEU 395 Ca 0.21 1.42 -0.25 0.00 -1.03 0.00 0.00 54.13 54.48 1vle s LEU 395 Cb 0.10 -4.09 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 1vle s LEU 395 CO 0.00 -1.89 1.72 -0.62 0.23 0.00 0.00 176.35 175.79 1vle s ASP 396 N -3.82 5.61 0.26 2.29 3.68 -1.26 -4.80 116.67 118.63 1vle s ASP 396 Ca 0.60 -0.49 0.22 0.00 2.13 0.00 0.00 52.55 55.01 1vle s ASP 396 Cb -0.15 -2.55 1.00 0.00 -1.45 0.00 0.00 42.92 39.77 1vle s ASP 396 CO 0.55 -2.25 1.67 -1.22 0.13 0.00 0.00 175.17 174.04 1vle n TYR 397 N 11.88 0.74 0.14 -5.34 0.53 -1.26 -2.34 117.16 121.51 1vle n TYR 397 Ca 0.27 0.32 0.03 0.00 -1.02 0.00 0.00 57.90 57.50 1vle n TYR 397 Cb 0.50 -1.01 0.04 0.00 -1.03 0.00 0.00 39.34 37.83 1vle n TYR 397 CO 0.00 0.00 0.00 0.93 -1.02 0.00 0.00 176.86 176.77 1vle h GLU 398 N 0.00 0.00 -6.75 -0.72 5.08 -2.01 -3.45 114.58 106.73 1vle h GLU 398 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1vle h GLU 398 Cb 0.24 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.50 1vle h GLU 398 CO 0.00 0.48 0.49 0.12 -1.00 0.00 0.00 179.01 179.10 1vle s PHE 399 N -2.99 3.55 -0.22 4.33 5.36 -0.99 -5.02 117.98 122.01 1vle s PHE 399 Ca 0.04 1.63 -0.03 0.00 -0.96 0.00 0.00 56.93 57.61 1vle s PHE 399 Cb 0.08 -3.31 -0.01 0.00 -0.34 0.00 0.00 43.02 39.44 1vle s PHE 399 CO 0.74 -0.69 -0.06 -0.47 -1.46 0.00 0.00 175.22 173.29 1vle s TYR 400 N -0.78 2.94 -0.07 10.12 5.04 -1.26 -5.04 117.35 128.29 1vle s TYR 400 Ca 0.47 -0.99 -0.03 0.00 -2.44 0.00 0.00 57.07 54.08 1vle s TYR 400 Cb -0.32 -2.09 0.04 0.00 0.35 0.00 0.00 41.96 39.95 1vle s TYR 400 CO 0.39 -0.56 0.14 0.12 -1.34 0.00 0.00 175.55 174.30 1vle s PHE 401 N 1.44 -0.14 0.56 4.97 5.36 -1.26 -1.57 117.98 127.35 1vle s PHE 401 Ca 0.05 0.51 -0.21 0.00 -0.96 0.00 0.00 56.93 56.33 1vle s PHE 401 Cb -0.14 -0.24 -0.05 0.00 -0.34 0.00 0.00 43.02 42.25 1vle s PHE 401 CO -0.04 -0.23 1.21 -2.30 -1.46 0.00 0.00 175.22 172.40 1vle n PRO 402 N 4.98 1.36 -2.95 10.12 -0.02 -1.26 -5.04 135.00 142.19 1vle n PRO 402 Ca -0.11 0.51 -0.18 0.00 -2.02 0.00 0.00 63.50 61.69 1vle n PRO 402 Cb 0.50 -2.41 0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1vle n PRO 402 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1vle s GLY 403 N -1.05 1.89 0.37 -1.23 0.00 -1.26 -4.75 107.32 101.29 1vle s GLY 403 Ca 0.74 -1.71 0.08 0.00 0.00 0.00 0.00 44.72 43.83 1vle s GLY 403 CO 0.48 -1.45 1.88 0.10 0.00 0.00 0.00 173.10 174.11 1vle h TYR 404 N 0.44 0.30 0.00 1.90 -0.00 -1.26 -2.67 116.97 115.69 1vle h TYR 404 Ca -0.38 -0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.31 1vle h TYR 404 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 36.73 37.93 1vle h TYR 404 CO 0.38 0.43 0.00 0.00 -0.00 0.00 0.00 178.16 178.97 1vle n ALA 405 N -2.49 1.35 1.86 0.10 0.00 -0.57 -2.62 120.51 118.15 1vle n ALA 405 Ca -0.00 0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.55 1vle n ALA 405 Cb 0.29 -1.27 0.23 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.97 0.93 0.00 0.00 1.02 -1.01 0.08 120.64 119.69 1vle n GLU 406 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1vle n GLU 406 Cb 0.12 -1.13 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 0.54 2.91 7.00 0.62 0.00 -1.08 -2.63 105.19 112.56 1vle n GLY 407 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.01 4.12 0.39 -0.02 0.00 -1.26 -2.06 105.19 106.36 1vle n GLY 408 Ca 0.00 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.28 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 0.03 0.04 -0.61 -5.35 -1.26 -4.14 119.36 108.07 1vle n ILE 409 Ca 0.00 -0.21 -0.22 0.00 -0.27 0.00 0.00 62.75 62.05 1vle n ILE 409 Cb 0.00 0.28 -0.14 0.00 -1.74 0.00 0.00 39.64 38.04 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 1.85 0.49 -0.28 7.28 4.64 -1.49 -3.43 113.55 122.61 1vle h SER 410 Ca 0.00 -0.90 -0.12 0.00 -0.47 0.00 0.00 61.79 60.30 1vle h SER 410 Cb 0.39 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 62.28 1vle h SER 410 CO 0.00 1.60 -0.11 0.61 -0.87 0.00 0.00 176.83 178.06 1vle n GLY 411 N 1.74 0.79 3.55 -0.77 0.00 -1.26 0.36 105.19 109.59 1vle n GLY 411 Ca -0.21 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.54 4.91 0.00 1.61 -1.08 -1.26 -4.68 116.67 113.63 1vle s ASP 412 Ca 0.00 0.67 0.19 0.00 -0.52 0.00 0.00 52.55 52.89 1vle s ASP 412 Cb 0.00 -2.52 1.04 0.00 -1.46 0.00 0.00 42.92 39.99 1vle s ASP 412 CO 0.00 -2.59 1.54 0.00 0.52 0.00 0.00 175.17 174.64 1vle n GLU 414 N -1.13 2.59 -0.19 0.00 2.13 -1.26 -4.52 120.64 118.26 1vle n GLU 414 Ca 0.12 -0.01 0.06 0.00 0.66 0.00 0.00 57.16 57.99 1vle n GLU 414 Cb 0.10 -1.07 0.16 0.00 0.27 0.00 0.00 31.44 30.90 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 2.99 -3.98 4.31 3.02 -1.23 -4.97 115.26 113.43 1vle n ASN 415 Ca -0.03 -2.07 -0.09 0.00 -0.03 0.00 0.00 54.58 52.35 1vle n ASN 415 Cb 0.45 -0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.06 -0.07 -0.21 6.41 1.04 -1.06 -4.99 113.70 113.75 1vle s SER 416 Ca 0.24 -0.91 0.05 0.00 0.48 0.00 0.00 55.95 55.81 1vle s SER 416 Cb 0.13 0.54 0.43 0.00 0.10 0.00 0.00 66.02 67.22 1vle s SER 416 CO 0.15 -1.06 1.41 0.00 0.98 0.00 0.00 173.24 174.72 1vle n ALA 417 N -0.34 3.90 -0.06 5.32 0.00 0.11 -4.43 120.51 125.02 1vle n ALA 417 Ca -0.03 -1.45 0.08 0.00 0.00 0.00 0.00 53.44 52.04 1vle n ALA 417 Cb 0.62 -1.19 0.46 0.00 0.00 0.00 0.00 19.45 19.35 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 2.13 1.86 0.00 0.00 0.00 -1.67 -2.38 119.26 119.20 1vle h ALA 418 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1vle h ALA 418 Cb 1.80 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1vle h ALA 418 CO 0.50 0.06 0.00 0.78 0.00 0.00 0.00 179.25 180.59 1vle h GLY 419 N 0.50 0.00 0.56 0.00 0.00 -1.79 0.65 103.07 102.98 1vle h GLY 419 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 1vle h GLY 419 CO -0.06 0.00 -0.12 -2.75 0.00 0.00 0.00 176.54 173.60 1vle h PHE 420 N 0.00 0.22 0.00 5.60 3.57 -1.79 -3.47 116.94 121.08 1vle h PHE 420 Ca 0.00 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1vle h PHE 420 Cb 0.23 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1vle h PHE 420 CO 0.00 0.73 0.00 1.17 -2.23 0.00 0.00 178.31 177.98 1vle n LYS 421 N -4.64 0.00 -0.33 1.11 4.81 -1.19 -4.98 118.16 112.94 1vle n LYS 421 Ca -0.08 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.37 1vle n LYS 421 Cb 0.37 -0.07 0.15 0.00 0.02 0.00 0.00 35.03 35.51 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 1.05 -0.51 5.64 3.57 -1.82 -2.74 116.94 122.15 1vle h PHE 422 Ca 0.00 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1vle h PHE 422 Cb 0.00 -0.34 -0.06 0.00 2.79 0.00 0.00 35.95 38.34 1vle h PHE 422 CO 0.00 0.53 0.18 0.00 -2.23 0.00 0.00 178.31 176.79 1vle h ALA 423 N 1.42 0.62 0.00 2.41 0.00 -1.14 0.46 119.26 123.03 1vle h ALA 423 Ca 0.40 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1vle h ALA 423 Cb 0.18 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1vle h ALA 423 CO -0.18 -0.21 -0.06 -1.49 0.00 0.00 0.00 179.25 177.31 1vle h TRP 424 N 0.36 0.00 0.07 0.00 4.06 -1.70 -2.03 115.95 116.71 1vle h TRP 424 Ca 0.24 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.86 1vle h TRP 424 Cb 0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.39 1vle h TRP 424 CO -0.16 0.06 -1.85 0.54 -3.56 0.00 0.00 178.44 173.47 1vle n ARG 425 N -3.52 0.68 0.10 0.49 1.74 -0.33 -4.46 116.66 111.37 1vle n ARG 425 Ca -0.02 0.35 -0.02 0.00 -0.77 0.00 0.00 57.85 57.39 1vle n ARG 425 Cb 0.19 -1.69 0.20 0.00 -1.02 0.00 0.00 32.46 30.13 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 -0.33 0.19 -6.55 5.56 4.05 -0.04 -3.45 114.93 114.35 1vle h MET 426 Ca -0.43 -0.10 -0.68 0.00 -0.28 0.00 0.00 59.70 58.20 1vle h MET 426 Cb 1.77 0.01 -0.22 0.00 -0.80 0.00 0.00 31.60 32.36 1vle h MET 426 CO -0.05 0.64 -0.80 -0.06 0.23 0.00 0.00 176.91 176.87 1vle s PHE 427 N -3.96 2.58 -0.89 1.39 0.40 -0.77 -4.96 117.98 111.76 1vle s PHE 427 Ca -0.04 -0.24 0.10 0.00 -0.60 0.00 0.00 56.93 56.15 1vle s PHE 427 Cb 0.13 -1.47 -0.00 0.00 0.51 0.00 0.00 43.02 42.18 1vle s PHE 427 CO 0.77 0.26 0.62 -0.40 0.70 0.00 0.00 175.22 177.17 1vle n ASP 428 N 1.56 1.19 -1.37 1.36 5.68 -1.25 -4.74 116.55 118.98 1vle n ASP 428 Ca -0.16 -1.09 -0.15 0.00 -0.50 0.00 0.00 54.79 52.89 1vle n ASP 428 Cb 0.52 0.47 -0.04 0.00 -1.14 0.00 0.00 41.12 40.93 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 0.89 0.84 1.92 6.12 0.00 -1.25 -4.78 105.19 108.93 1vle n GLY 429 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.52 0.00 -0.00 1.61 5.02 -1.26 -4.99 118.16 116.02 1vle n LYS 430 Ca -0.16 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.15 1vle n LYS 430 Cb 0.55 -0.04 -0.03 0.00 -0.02 0.00 0.00 35.03 35.49 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 -2.69 0.00 -3.92 -0.18 -2.24 -1.26 -5.02 114.28 98.98 1vle n THR 431 Ca 0.00 -0.10 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 1vle n THR 431 Cb 0.03 0.46 -0.15 0.00 -2.10 0.00 0.00 70.33 68.57 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 -2.17 0.12 0.09 4.28 -1.32 -1.26 -5.08 115.64 110.30 1vle s THR 432 Ca -0.01 0.05 0.07 0.00 -1.21 0.00 0.00 61.69 60.58 1vle s THR 432 Cb 0.02 -0.18 -0.03 0.00 -1.51 0.00 0.00 72.50 70.80 1vle s THR 432 CO 0.14 0.09 -0.17 -0.36 -2.21 0.00 0.00 174.62 172.11 1vle s PHE 433 N 0.61 1.48 1.16 9.09 0.40 -1.26 -3.81 117.98 125.66 1vle s PHE 433 Ca -0.06 -0.45 -0.15 0.00 -0.60 0.00 0.00 56.93 55.68 1vle s PHE 433 Cb -0.09 -0.82 0.27 0.00 0.51 0.00 0.00 43.02 42.90 1vle s PHE 433 CO -0.01 0.13 1.05 -2.14 0.70 0.00 0.00 175.22 174.94 1vle s PRO 434 N -1.87 -0.88 -0.51 0.24 0.02 -1.26 -5.00 135.00 125.74 1vle s PRO 434 Ca 0.02 0.47 0.03 0.00 0.02 0.00 0.00 61.00 61.55 1vle s PRO 434 Cb -0.10 -1.59 0.15 0.00 0.02 0.00 0.00 34.50 32.99 1vle s PRO 434 CO 0.03 -3.60 0.34 0.45 -0.33 0.00 0.00 177.00 173.89 1vle s SER 435 N -3.13 3.47 0.81 2.53 0.15 0.16 -5.00 113.70 112.68 1vle s SER 435 Ca 0.68 -3.11 -0.11 0.00 0.70 0.00 0.00 55.95 54.11 1vle s SER 435 Cb -0.19 -1.08 0.07 0.00 -1.71 0.00 0.00 66.02 63.12 1vle s SER 435 CO 0.60 -0.19 1.09 -2.84 1.20 0.00 0.00 173.24 173.10 1vle s PRO 436 N -0.27 2.01 -0.09 5.44 0.02 -1.26 -4.52 135.00 136.33 1vle s PRO 436 Ca 0.23 0.81 0.00 0.00 0.02 0.00 0.00 61.00 62.07 1vle s PRO 436 Cb -0.12 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.53 1vle s PRO 436 CO -0.10 -1.72 -0.08 0.45 -0.33 0.00 0.00 177.00 175.23 1vle s SER 437 N -3.68 1.95 0.00 2.53 0.15 -1.26 -4.63 113.70 108.76 1vle s SER 437 Ca 0.61 -0.27 0.19 0.00 0.70 0.00 0.00 55.95 57.18 1vle s SER 437 Cb -0.16 -0.77 0.53 0.00 -1.71 0.00 0.00 66.02 63.91 1vle s SER 437 CO 0.55 -0.09 1.43 -0.46 1.20 0.00 0.00 173.24 175.88 1vle n ASN 438 N 4.65 2.60 -0.06 5.45 6.94 -1.26 -4.19 115.26 129.39 1vle n ASN 438 Ca -0.15 -1.91 -0.10 0.00 -0.02 0.00 0.00 54.58 52.40 1vle n ASN 438 Cb 0.50 -0.25 -0.05 0.00 -2.36 0.00 0.00 39.78 37.62 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 0.92 2.31 -3.68 -4.53 4.77 -1.26 -4.62 117.00 110.91 1vle n LEU 439 Ca 0.17 0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.75 1vle n LEU 439 Cb 0.44 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1vle n LEU 439 CO 0.13 0.56 2.68 -3.20 -1.33 0.00 0.00 177.39 176.22 1vle n ASN 440 N -3.08 4.93 -3.74 -1.43 5.15 -1.26 -1.18 115.26 114.65 1vle n ASN 440 Ca -0.22 -2.85 -0.10 0.00 -0.60 0.00 0.00 54.58 50.80 1vle n ASN 440 Cb 0.71 -1.61 -0.06 0.00 -0.53 0.00 0.00 39.78 38.29 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 2.46 0.10 0.33 -0.44 -1.32 -1.26 -4.84 115.64 110.66 1vle s THR 441 Ca 0.49 -0.80 0.06 0.00 -1.21 0.00 0.00 61.69 60.23 1vle s THR 441 Cb 0.14 -1.18 0.31 0.00 -1.51 0.00 0.00 72.50 70.26 1vle s THR 441 CO -0.07 -0.44 1.85 0.28 -2.21 0.00 0.00 174.62 174.02 1vle h SER 442 N 2.69 0.75 0.15 8.08 0.02 -1.98 0.52 113.55 123.79 1vle h SER 442 Ca -0.33 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1vle h SER 442 Cb 1.22 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1vle h SER 442 CO 0.50 0.37 -0.04 0.00 -1.14 0.00 0.00 176.83 176.52 1vle n ALA 443 N -2.40 2.68 -1.89 3.77 0.00 -1.26 -4.77 120.51 116.64 1vle n ALA 443 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1vle n ALA 443 Cb 0.45 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 1.16 1.01 2.83 0.00 0.00 0.17 -5.01 105.19 105.34 1vle n GLY 444 Ca 0.19 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 3.90 -0.00 0.18 1.61 0.74 -0.32 -4.84 119.66 120.93 1vle s GLN 445 Ca 0.00 0.08 -0.14 0.00 0.05 0.00 0.00 55.36 55.35 1vle s GLN 445 Cb 0.00 -0.13 0.01 0.00 1.10 0.00 0.00 33.01 33.99 1vle s GLN 445 CO 0.00 -0.08 0.44 -3.38 -0.55 0.00 0.00 175.29 171.72 1vle s HIS 446 N 0.50 0.07 0.07 1.67 -3.43 -1.26 -4.01 115.29 108.91 1vle s HIS 446 Ca -0.04 -0.42 0.01 0.00 -0.80 0.00 0.00 55.06 53.81 1vle s HIS 446 Cb -0.06 0.23 -0.04 0.00 -1.43 0.00 0.00 32.58 31.28 1vle s HIS 446 CO -0.01 -0.85 -0.06 0.96 -2.00 0.00 0.00 174.74 172.78 1vle s ILE 447 N -3.91 0.57 0.10 -5.38 -4.36 -0.60 -4.88 121.20 102.74 1vle s ILE 447 Ca 0.12 -1.63 -0.30 0.00 -0.26 0.00 0.00 60.65 58.58 1vle s ILE 447 Cb 0.01 -1.29 -0.06 0.00 1.25 0.00 0.00 42.46 42.36 1vle s ILE 447 CO -0.02 -0.73 1.20 -2.84 0.24 0.00 0.00 174.94 172.79 1vle s PRO 448 N -3.09 4.45 0.30 0.37 0.02 -1.26 -0.88 135.00 134.91 1vle s PRO 448 Ca 0.04 1.80 0.01 0.00 0.02 0.00 0.00 61.00 62.87 1vle s PRO 448 Cb 0.01 -3.31 0.53 0.00 0.02 0.00 0.00 34.50 31.74 1vle s PRO 448 CO -0.04 -0.20 1.92 -0.09 -0.33 0.00 0.00 177.00 178.26 1vle h ARG 449 N 6.34 1.00 0.00 5.54 2.43 -1.51 -1.00 114.38 127.17 1vle h ARG 449 Ca -0.42 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1vle h ARG 449 Cb 1.21 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1vle h ARG 449 CO 0.79 0.66 0.00 1.28 -1.51 0.00 0.00 179.97 181.19 1vle n LEU 450 N -4.48 0.56 -0.60 3.80 4.77 -1.26 -2.86 117.00 116.92 1vle n LEU 450 Ca 0.13 0.71 0.05 0.00 -0.03 0.00 0.00 56.01 56.87 1vle n LEU 450 Cb 0.19 -0.71 0.10 0.00 -2.33 0.00 0.00 43.42 40.67 1vle n LEU 450 CO 0.33 -0.77 0.34 0.29 -1.33 0.00 0.00 177.39 176.25 1vle n LYS 451 N -2.19 0.79 -0.21 3.23 4.76 -0.41 -4.81 118.16 119.32 1vle n LYS 451 Ca 0.00 -2.26 -0.01 0.00 -2.87 0.00 0.00 58.31 53.17 1vle n LYS 451 Cb 0.11 -0.98 0.10 0.00 -1.84 0.00 0.00 35.03 32.42 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 3.38 0.84 -0.69 -0.18 2.04 -1.34 -1.78 117.51 119.79 1vle h ILE 452 Ca -0.05 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.71 1vle h ILE 452 Cb 1.28 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 1vle h ILE 452 CO 0.02 0.09 0.37 -0.65 0.00 0.00 0.00 178.15 177.98 1vle h PRO 453 N 0.50 0.65 -0.45 2.37 0.11 -1.87 -0.85 132.00 132.47 1vle h PRO 453 Ca 0.30 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.27 1vle h PRO 453 Cb 0.31 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1vle h PRO 453 CO -0.26 0.43 -0.15 0.93 -0.21 0.00 0.00 178.00 178.74 1vle h GLU 454 N 0.67 0.85 -0.36 1.05 3.07 -1.78 -0.59 114.58 117.49 1vle h GLU 454 Ca 0.32 -0.31 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 1vle h GLU 454 Cb 0.24 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1vle h GLU 454 CO -0.21 0.94 0.00 0.00 -1.40 0.00 0.00 179.01 178.34 1vle h ILE 456 N 0.44 1.32 0.05 0.00 2.04 -1.06 0.18 117.51 120.48 1vle h ILE 456 Ca 0.10 -1.06 -0.24 0.00 1.00 0.00 0.00 64.86 64.66 1vle h ILE 456 Cb 0.46 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 1vle h ILE 456 CO 0.02 0.27 -1.18 0.24 0.00 0.00 0.00 178.15 177.50 1vle h MET 457 N -0.49 0.10 0.00 2.37 2.86 -1.18 -3.34 114.93 115.24 1vle h MET 457 Ca -0.00 -0.17 -0.25 0.00 -2.06 0.00 0.00 59.70 57.22 1vle h MET 457 Cb 0.46 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 1vle h MET 457 CO 0.00 1.03 -1.60 0.41 1.06 0.00 0.00 176.91 177.81 1vle n GLY 458 N 1.45 -1.07 2.16 8.32 0.00 0.83 -4.98 105.19 111.91 1vle n GLY 458 Ca -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 1.50 0.51 3.59 -0.02 0.00 0.63 -4.99 105.19 106.40 1vle n GLY 459 Ca -0.14 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.09 0.58 0.02 1.61 2.20 -1.24 -4.46 119.74 117.36 1vle s LYS 460 Ca 0.00 0.23 -0.27 0.00 -0.36 0.00 0.00 55.97 55.56 1vle s LYS 460 Cb 0.00 0.28 0.09 0.00 -1.51 0.00 0.00 37.83 36.69 1vle s LYS 460 CO 0.00 -0.16 0.80 0.12 -0.36 0.00 0.00 175.35 175.74 1vle s PHE 461 N -0.86 -0.43 -0.02 4.03 5.36 -0.46 -4.53 117.98 121.07 1vle s PHE 461 Ca -0.01 0.38 -0.01 0.00 -0.96 0.00 0.00 56.93 56.33 1vle s PHE 461 Cb -0.01 0.52 0.01 0.00 -0.34 0.00 0.00 43.02 43.20 1vle s PHE 461 CO 0.00 -0.62 0.03 -1.14 -1.46 0.00 0.00 175.22 172.04 1vle s GLN 462 N -2.90 0.02 0.39 10.12 -0.44 -1.26 -0.46 119.66 125.12 1vle s GLN 462 Ca 0.02 0.10 -0.12 0.00 -2.50 0.00 0.00 55.36 52.85 1vle s GLN 462 Cb -0.01 -0.07 0.05 0.00 -1.64 0.00 0.00 33.01 31.35 1vle s GLN 462 CO -0.07 -0.06 0.73 -2.67 0.50 0.00 0.00 175.29 173.72 1vle n TRP 463 N 3.42 -2.18 -4.59 1.67 2.14 -0.63 -5.01 117.44 112.26 1vle n TRP 463 Ca -0.17 -1.95 -0.34 0.00 2.07 0.00 0.00 57.50 57.11 1vle n TRP 463 Cb 0.57 0.85 -0.12 0.00 -0.81 0.00 0.00 31.31 31.79 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 -3.08 4.54 0.16 -0.67 0.01 -1.26 -1.04 113.70 112.36 1vle s SER 464 Ca 0.18 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1vle s SER 464 Cb -0.04 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.73 1vle s SER 464 CO 0.14 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.65 1vle n GLY 465 N 2.94 -2.94 3.07 3.44 0.00 0.26 -4.66 105.19 107.30 1vle n GLY 465 Ca -0.18 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.72 2.04 4.50 1.61 2.20 -1.26 -4.89 119.74 120.22 1vle s LYS 466 Ca 0.00 -1.52 0.00 0.00 -0.36 0.00 0.00 55.97 54.09 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 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.69 1vle n GLY 467 N 4.42 3.17 3.52 5.54 0.00 -1.26 -3.88 105.19 116.70 1vle n GLY 467 Ca -0.08 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 2.46 -1.33 1.61 0.40 -1.22 -4.42 117.98 115.47 1vle s PHE 468 Ca 0.00 -0.36 -0.11 0.00 -0.60 0.00 0.00 56.93 55.86 1vle s PHE 468 Cb 0.00 -4.53 0.13 0.00 0.51 0.00 0.00 43.02 39.13 1vle s PHE 468 CO 0.00 -1.92 1.98 0.00 0.70 0.00 0.00 175.22 175.99 1vle n ALA 469 N 8.72 5.42 -0.04 5.36 0.00 -1.25 -4.69 120.51 134.02 1vle n ALA 469 Ca 0.06 -4.19 0.11 0.00 0.00 0.00 0.00 53.44 49.43 1vle n ALA 469 Cb 0.48 -3.15 0.29 0.00 0.00 0.00 0.00 19.45 17.07 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 3.19 2.04 0.15 0.00 0.00 -1.26 -4.44 105.19 104.87 1vle n GLY 470 Ca 0.43 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 4.55 0.44 -2.90 -0.02 0.00 -1.84 -3.06 103.07 100.24 1vle h GLY 471 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1vle h GLY 471 CO 0.00 0.33 -0.05 -0.35 0.00 0.00 0.00 176.54 176.47 1vle s ASP 472 N -5.99 -0.24 0.22 0.19 2.15 -1.26 -4.84 116.67 106.90 1vle s ASP 472 Ca -0.14 -0.39 -0.09 0.00 0.43 0.00 0.00 52.55 52.36 1vle s ASP 472 Cb 0.07 0.51 0.36 0.00 -0.30 0.00 0.00 42.92 43.55 1vle s ASP 472 CO 0.75 -0.92 1.67 0.40 -0.17 0.00 0.00 175.17 176.89 1vle h ILE 473 N 2.31 0.50 -0.00 4.11 2.04 -1.90 -2.45 117.51 122.12 1vle h ILE 473 Ca -0.32 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1vle h ILE 473 Cb 1.26 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1vle h ILE 473 CO 0.44 0.03 -0.03 -1.20 0.00 0.00 0.00 178.15 177.39 1vle n SER 474 N -5.24 0.23 -0.37 1.72 7.64 -1.26 -4.16 113.62 112.19 1vle n SER 474 Ca 0.11 -0.63 0.03 0.00 1.01 0.00 0.00 58.87 59.39 1vle n SER 474 Cb 0.39 -0.11 0.18 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.32 1.20 0.00 1.43 3.86 -1.72 -0.74 115.15 119.50 1vle h HIS 475 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1vle h HIS 475 Cb 0.23 -0.39 0.00 0.00 1.06 0.00 0.00 27.41 28.30 1vle h HIS 475 CO 0.00 0.61 0.00 -0.56 0.86 0.00 0.00 177.93 178.84 1vle h GLN 476 N 1.17 0.00 0.00 2.45 3.07 -1.78 -2.32 115.11 117.70 1vle h GLN 476 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.18 1vle h GLN 476 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 1vle h GLN 476 CO -0.18 0.00 -0.17 1.28 0.09 0.00 0.00 178.83 179.84 1vle n LEU 477 N -2.76 0.66 -4.74 0.06 4.77 -0.28 -1.38 117.00 113.32 1vle n LEU 477 Ca -0.01 0.46 -0.38 0.00 -0.03 0.00 0.00 56.01 56.05 1vle n LEU 477 Cb 0.13 -0.31 0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1vle n LEU 477 CO 0.19 -0.11 0.95 -2.28 -1.33 0.00 0.00 177.39 174.81 1vle s HIS 478 N -3.10 2.23 -0.13 -1.77 2.46 -0.87 -4.69 115.29 109.42 1vle s HIS 478 Ca 0.10 1.42 -0.06 0.00 0.47 0.00 0.00 55.06 56.98 1vle s HIS 478 Cb 0.14 -3.75 -0.04 0.00 -0.13 0.00 0.00 32.58 28.80 1vle s HIS 478 CO 0.62 -2.86 0.11 -0.65 -2.47 0.00 0.00 174.74 169.49 1vle s GLN 479 N -3.07 3.47 0.21 2.88 -1.52 -1.26 -0.58 119.66 119.79 1vle s GLN 479 Ca 0.75 -0.21 0.04 0.00 -1.95 0.00 0.00 55.36 54.00 1vle s GLN 479 Cb -0.39 -3.14 -0.05 0.00 -0.22 0.00 0.00 33.01 29.21 1vle s GLN 479 CO 0.44 0.68 -0.05 0.71 -0.25 0.00 0.00 175.29 176.82 1vle s TYR 480 N -0.76 1.51 0.05 0.91 1.51 -0.21 -4.96 117.35 115.41 1vle s TYR 480 Ca 0.13 -0.82 -0.05 0.00 -1.01 0.00 0.00 57.07 55.32 1vle s TYR 480 Cb -0.12 -0.83 -0.02 0.00 -0.11 0.00 0.00 41.96 40.88 1vle s TYR 480 CO 0.03 0.06 0.08 -1.83 -1.11 0.00 0.00 175.55 172.77 1vle s GLU 481 N -3.80 0.63 -0.05 -0.62 -1.05 -1.26 -1.61 118.70 110.94 1vle s GLU 481 Ca 0.24 -0.90 0.01 0.00 -0.15 0.00 0.00 54.97 54.17 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 0.06 -0.16 -0.04 -0.47 0.95 0.00 0.00 175.26 175.61 1vle s TYR 482 N -3.10 0.72 0.64 4.83 5.04 0.39 -2.98 117.35 122.88 1vle s TYR 482 Ca -0.01 -0.20 -0.15 0.00 -2.44 0.00 0.00 57.07 54.28 1vle s TYR 482 Cb 0.02 -0.67 -0.01 0.00 0.35 0.00 0.00 41.96 41.64 1vle s TYR 482 CO -0.07 -0.21 1.09 -1.25 -1.34 0.00 0.00 175.55 173.77 1vle s PRO 483 N 1.08 2.96 0.58 4.97 0.04 -1.26 -1.36 135.00 142.02 1vle s PRO 483 Ca -0.08 1.31 -0.18 0.00 0.04 0.00 0.00 61.00 62.09 1vle s PRO 483 Cb -0.14 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1vle s PRO 483 CO -0.01 -1.11 1.11 0.00 0.04 0.00 0.00 177.00 177.03 1vle s ALA 484 N -2.41 2.65 -0.28 8.56 0.00 -1.16 -4.87 121.76 124.24 1vle s ALA 484 Ca 0.65 0.68 -0.40 0.00 0.00 0.00 0.00 51.96 52.89 1vle s ALA 484 Cb -0.19 -3.32 -0.16 0.00 0.00 0.00 0.00 23.12 19.45 1vle s ALA 484 CO 0.41 -0.88 1.73 -2.30 0.00 0.00 0.00 175.76 174.71 1vle n PRO 485 N -1.68 1.09 0.00 0.00 -0.02 -1.26 -0.68 135.00 132.46 1vle n PRO 485 Ca 0.11 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1vle n PRO 485 Cb 0.52 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 4.15 2.92 3.96 -1.23 0.00 -1.26 -5.02 105.19 108.71 1vle n GLY 486 Ca 0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.78 2.19 0.10 1.61 1.51 0.15 -5.10 117.35 116.03 1vle s TYR 487 Ca 0.00 0.08 0.04 0.00 -1.01 0.00 0.00 57.07 56.18 1vle s TYR 487 Cb 0.00 -3.20 -0.04 0.00 -0.11 0.00 0.00 41.96 38.61 1vle s TYR 487 CO 0.00 -1.64 0.07 0.45 -1.11 0.00 0.00 175.55 173.32 1vle s SER 488 N -4.65 5.39 0.80 2.29 0.15 -1.26 -4.68 113.70 111.74 1vle s SER 488 Ca 0.64 -0.09 -0.11 0.00 0.70 0.00 0.00 55.95 57.09 1vle s SER 488 Cb -0.07 -1.39 0.08 0.00 -1.71 0.00 0.00 66.02 62.92 1vle s SER 488 CO 0.45 0.15 1.13 -0.54 1.20 0.00 0.00 173.24 175.63 1vle s LYS 489 N -2.53 1.86 0.15 5.44 1.02 -1.26 -4.26 119.74 120.15 1vle s LYS 489 Ca 0.29 1.41 -0.31 0.00 0.02 0.00 0.00 55.97 57.39 1vle s LYS 489 Cb -0.12 -1.83 -0.08 0.00 -0.52 0.00 0.00 37.83 35.28 1vle s LYS 489 CO 0.21 -1.98 1.34 0.42 -0.92 0.00 0.00 175.35 174.43 1vle s ILE 490 N -2.62 3.30 -0.02 2.17 -1.09 -1.26 -4.38 121.20 117.30 1vle s ILE 490 Ca 0.66 0.99 0.02 0.00 -2.23 0.00 0.00 60.65 60.08 1vle s ILE 490 Cb -0.21 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1vle s ILE 490 CO 0.53 0.11 0.00 0.29 -1.23 0.00 0.00 174.94 174.64 1vle n LYS 491 N 3.37 2.83 -4.33 2.79 4.76 0.21 -4.73 118.16 123.06 1vle n LYS 491 Ca 0.09 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.29 1vle n LYS 491 Cb 0.43 -1.06 -0.13 0.00 -1.84 0.00 0.00 35.03 32.43 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 -2.06 1.15 -0.19 1.97 1.75 -0.81 -0.64 119.30 120.49 1vle s MET 492 Ca -0.02 -1.12 -0.02 0.00 -1.25 0.00 0.00 55.69 53.28 1vle s MET 492 Cb 0.01 -1.39 0.05 0.00 2.84 0.00 0.00 34.83 36.35 1vle s MET 492 CO 0.09 0.33 0.01 0.12 -0.65 0.00 0.00 175.02 174.91 1vle s PHE 493 N -1.11 1.29 -0.61 4.11 5.99 -0.36 0.21 117.98 127.50 1vle s PHE 493 Ca 0.06 -0.96 -0.14 0.00 0.00 0.00 0.00 56.93 55.89 1vle s PHE 493 Cb -0.10 -1.13 0.15 0.00 0.00 0.00 0.00 43.02 41.95 1vle s PHE 493 CO 0.04 -0.61 0.54 -0.46 -0.00 0.00 0.00 175.22 174.73 1vle s TRP 494 N 1.77 3.43 0.11 10.12 -0.11 0.12 -1.19 118.94 133.19 1vle s TRP 494 Ca -0.01 -1.66 -0.18 0.00 1.22 0.00 0.00 56.10 55.47 1vle s TRP 494 Cb -0.17 -3.72 -0.07 0.00 -1.50 0.00 0.00 33.47 28.01 1vle s TRP 494 CO -0.07 -1.00 0.58 0.15 -4.62 0.00 0.00 176.95 171.99 1vle s LYS 495 N 1.08 4.13 -0.30 5.86 1.02 0.49 -2.94 119.74 129.08 1vle s LYS 495 Ca 0.08 0.67 -0.00 0.00 0.02 0.00 0.00 55.97 56.74 1vle s LYS 495 Cb -0.23 -3.10 0.06 0.00 -0.52 0.00 0.00 37.83 34.04 1vle s LYS 495 CO -0.01 0.56 -0.01 -0.47 -0.92 0.00 0.00 175.35 174.49 1vle s TYR 496 N -1.28 3.33 0.00 3.18 5.04 -0.92 -0.37 117.35 126.33 1vle s TYR 496 Ca 0.33 -2.13 0.00 0.00 -2.44 0.00 0.00 57.07 52.83 1vle s TYR 496 Cb -0.18 -2.20 0.00 0.00 0.35 0.00 0.00 41.96 39.93 1vle s TYR 496 CO 0.19 -0.85 0.00 0.41 -1.34 0.00 0.00 175.55 173.96 1vle n GLY 497 N 4.54 -1.20 2.72 8.97 0.00 -0.72 -4.11 105.19 115.38 1vle n GLY 497 Ca -0.11 -1.58 -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 -1.07 0.29 0.01 -0.02 0.00 -1.26 -4.82 105.19 98.33 1vle n GLY 498 Ca 0.00 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 0.40 0.21 -0.29 1.61 -0.04 -1.26 -0.83 135.00 134.80 1vle n PRO 499 Ca 0.04 -0.03 0.34 0.00 -0.04 0.00 0.00 63.50 63.81 1vle n PRO 499 Cb 0.71 -1.54 0.74 0.00 -0.04 0.00 0.00 33.50 33.36 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 0.00 0.00 0.00 0.54 3.86 -1.95 0.09 115.15 117.69 1vle h HIS 500 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1vle h HIS 500 Cb 0.66 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 1vle h HIS 500 CO 0.00 0.00 -0.12 -0.07 0.86 0.00 0.00 177.93 178.60 1vle h LEU 501 N 0.00 0.00 -0.77 2.43 3.38 -1.88 -2.22 115.31 116.25 1vle h LEU 501 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1vle h LEU 501 Cb 2.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.00 1vle h LEU 501 CO -0.01 0.12 -0.20 0.61 0.09 0.00 0.00 178.44 179.06 1vle n GLY 502 N -0.83 -0.17 0.00 0.83 0.00 -0.02 -4.51 105.19 100.49 1vle n GLY 502 Ca -0.02 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.22 0.00 -0.29 2.61 -2.24 -0.96 -1.55 114.28 111.62 1vle n THR 503 Ca 0.04 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1vle n THR 503 Cb 0.21 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.31 3.39 -4.59 -0.78 2.81 -0.85 -4.95 117.12 110.83 1vle n MET 504 Ca 0.00 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.63 1vle n MET 504 Cb 0.06 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.44 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 3.72 1.83 -1.05 2.03 -4.23 -1.26 -4.74 115.64 111.93 1vle s THR 505 Ca 0.00 -1.37 -0.05 0.00 -1.18 0.00 0.00 61.69 59.10 1vle s THR 505 Cb 0.00 -1.60 0.01 0.00 1.34 0.00 0.00 72.50 72.25 1vle s THR 505 CO 0.00 0.17 0.09 0.00 -0.54 0.00 0.00 174.62 174.33 1vle n ALA 506 N 1.57 -1.79 0.00 3.99 0.00 0.12 -4.71 120.51 119.69 1vle n ALA 506 Ca -0.18 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1vle n ALA 506 Cb 0.53 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -3.58 1.48 0.25 0.00 -2.24 -0.81 -2.76 114.28 106.62 1vle n THR 507 Ca -0.20 0.50 0.13 0.00 -2.27 0.00 0.00 64.05 62.21 1vle n THR 507 Cb 0.47 -1.50 0.80 0.00 -2.10 0.00 0.00 70.33 68.00 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 0.30 3.42 2.35 -1.84 0.50 115.58 120.31 1vle h ASN 508 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1vle h ASN 508 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1vle h ASN 508 CO 0.00 0.00 -0.24 0.08 -1.65 0.00 0.00 177.43 175.62 1vle h ARG 509 N 0.00 0.00 0.00 0.81 0.11 -1.84 -1.07 114.38 112.39 1vle h ARG 509 Ca 0.03 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.07 1vle h ARG 509 Cb 0.15 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 1vle h ARG 509 CO -0.00 0.24 -0.20 1.88 0.10 0.00 0.00 179.97 181.99 1vle h TYR 510 N 0.00 0.00 0.18 4.08 -1.99 -1.14 -2.32 116.97 115.78 1vle h TYR 510 Ca -0.00 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.41 1vle h TYR 510 Cb 0.45 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.20 1vle h TYR 510 CO 0.00 0.20 -1.52 0.00 -0.00 0.00 0.00 178.16 176.84 1vle h ALA 511 N 1.80 0.07 -0.23 3.88 0.00 -1.22 -3.35 119.26 120.21 1vle h ALA 511 Ca -0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 54.91 53.82 1vle h ALA 511 Cb 0.75 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1vle h ALA 511 CO 0.03 0.93 -0.27 0.87 0.00 0.00 0.00 179.25 180.81 1vle h LYS 512 N 0.11 0.45 -0.16 0.00 1.57 -1.12 -3.22 116.57 114.19 1vle h LYS 512 Ca -0.25 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 1vle h LYS 512 Cb 2.08 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 34.36 1vle h LYS 512 CO 0.21 0.69 0.07 0.00 -0.57 0.00 0.00 179.45 179.85 1vle h MET 513 N 0.40 0.22 0.00 3.15 -0.00 -1.55 -3.08 114.93 114.07 1vle h MET 513 Ca 0.06 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.73 1vle h MET 513 Cb 0.68 -0.05 -0.00 0.00 -0.00 0.00 0.00 31.60 32.23 1vle h MET 513 CO 0.05 0.18 -0.05 1.88 -0.00 0.00 0.00 176.91 178.98 1vle h TYR 514 N 0.23 0.00 -0.01 -0.10 -1.99 -1.73 -2.59 116.97 110.77 1vle h TYR 514 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1vle h TYR 514 Cb 0.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.77 1vle h TYR 514 CO 0.00 0.05 -0.15 0.25 -0.00 0.00 0.00 178.16 178.31 1vle n THR 515 N -4.19 0.00 -1.86 -2.88 -2.24 -1.16 -4.81 114.28 97.14 1vle n THR 515 Ca -0.03 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 1vle n THR 515 Cb 0.13 0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 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 -2.24 2.87 -1.32 4.78 5.04 -0.98 -3.77 115.29 119.68 1vle s HIS 516 Ca 0.30 0.79 0.09 0.00 -1.54 0.00 0.00 55.06 54.70 1vle s HIS 516 Cb 0.20 -3.99 0.44 0.00 0.04 0.00 0.00 32.58 29.27 1vle s HIS 516 CO 0.43 -3.38 1.20 -0.40 -2.34 0.00 0.00 174.74 170.25 1vle n ASP 517 N 2.58 0.00 0.17 9.88 3.85 -1.26 -2.28 116.55 129.48 1vle n ASP 517 Ca 0.09 0.25 0.05 0.00 -0.71 0.00 0.00 54.79 54.47 1vle n ASP 517 Cb 0.38 -0.34 0.16 0.00 -1.35 0.00 0.00 41.12 39.96 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 -2.75 -1.12 4.64 -1.89 -3.41 113.55 109.02 1vle h SER 518 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 1vle h SER 518 Cb 0.10 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.09 1vle h SER 518 CO 0.00 0.39 0.84 -0.76 -0.87 0.00 0.00 176.83 176.43 1vle s LEU 519 N -6.56 3.67 0.24 5.97 1.43 -0.97 -4.58 118.68 117.88 1vle s LEU 519 Ca 0.03 -0.44 0.13 0.00 -1.03 0.00 0.00 54.13 52.82 1vle s LEU 519 Cb 0.08 -2.70 0.06 0.00 0.03 0.00 0.00 46.19 43.66 1vle s LEU 519 CO 0.71 -1.57 1.43 -0.33 0.23 0.00 0.00 176.35 176.83 1vle h GLU 520 N 9.70 0.00 -2.67 1.70 5.08 -1.12 -3.47 114.58 123.80 1vle h GLU 520 Ca -0.27 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.98 1vle h GLU 520 Cb 1.06 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.08 1vle h GLU 520 CO 1.20 0.64 -0.19 0.12 -1.00 0.00 0.00 179.01 179.78 1vle s PHE 521 N -2.97 -0.47 -0.07 4.33 5.36 -1.16 -5.04 117.98 117.95 1vle s PHE 521 Ca 0.03 1.13 -0.01 0.00 -0.96 0.00 0.00 56.93 57.12 1vle s PHE 521 Cb 0.09 0.17 0.03 0.00 -0.34 0.00 0.00 43.02 42.96 1vle s PHE 521 CO 0.76 -0.25 0.00 0.08 -1.46 0.00 0.00 175.22 174.35 1vle s VAL 522 N 0.12 0.38 -0.05 3.12 1.01 -1.26 -1.22 120.40 122.49 1vle s VAL 522 Ca -0.01 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.13 1vle s VAL 522 Cb -0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1vle s VAL 522 CO 0.01 0.26 -0.16 -0.69 0.00 0.00 0.00 175.10 174.52 1vle s VAL 523 N 1.95 2.90 -0.19 2.92 1.01 -0.33 -0.05 120.40 128.60 1vle s VAL 523 Ca 0.05 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1vle s VAL 523 Cb -0.12 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.17 1vle s VAL 523 CO -0.05 0.59 -0.13 -0.55 0.00 0.00 0.00 175.10 174.95 1vle s SER 524 N -0.66 3.31 -0.54 3.32 0.15 0.35 -0.38 113.70 119.25 1vle s SER 524 Ca 0.10 -0.81 -0.09 0.00 0.70 0.00 0.00 55.95 55.85 1vle s SER 524 Cb -0.11 -1.31 0.14 0.00 -1.71 0.00 0.00 66.02 63.03 1vle s SER 524 CO 0.01 -0.10 0.42 -1.58 1.20 0.00 0.00 173.24 173.18 1vle s GLN 525 N 1.36 2.64 0.26 5.44 0.74 0.50 -0.34 119.66 130.26 1vle s GLN 525 Ca 0.00 -1.98 0.05 0.00 0.05 0.00 0.00 55.36 53.48 1vle s GLN 525 Cb -0.15 -3.97 -0.02 0.00 1.10 0.00 0.00 33.01 29.97 1vle s GLN 525 CO -0.09 -1.21 0.25 0.43 -0.55 0.00 0.00 175.29 174.11 1vle n SER 526 N 4.56 -0.63 -0.12 6.67 7.64 -0.91 -1.76 113.62 129.08 1vle n SER 526 Ca -0.03 -2.68 -0.24 0.00 1.01 0.00 0.00 58.87 56.93 1vle n SER 526 Cb 0.41 1.41 -0.08 0.00 -1.01 0.00 0.00 64.21 64.94 1vle n SER 526 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1vle n ILE 527 N -0.49 1.26 -4.62 0.44 5.41 -1.26 -0.52 119.36 119.58 1vle n ILE 527 Ca 0.05 -0.33 -0.34 0.00 1.00 0.00 0.00 62.75 63.13 1vle n ILE 527 Cb 0.47 -1.77 -0.12 0.00 -0.71 0.00 0.00 39.64 37.51 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 -2.42 2.92 -0.75 1.39 0.51 -1.26 -1.02 118.94 118.31 1vle s TRP 528 Ca -0.32 -0.12 -0.26 0.00 -2.12 0.00 0.00 56.10 53.28 1vle s TRP 528 Cb 0.12 -1.76 0.00 0.00 -0.81 0.00 0.00 33.47 31.02 1vle s TRP 528 CO 0.41 0.20 1.60 0.12 -0.51 0.00 0.00 176.95 178.77 1vle s PHE 529 N -0.47 2.02 0.22 -1.98 5.36 0.13 -4.84 117.98 118.42 1vle s PHE 529 Ca 0.07 0.24 -0.20 0.00 -0.96 0.00 0.00 56.93 56.08 1vle s PHE 529 Cb -0.12 -4.37 0.07 0.00 -0.34 0.00 0.00 43.02 38.26 1vle s PHE 529 CO 0.02 -2.10 0.95 -0.85 -1.46 0.00 0.00 175.22 171.78 1vle n GLU 530 N 9.18 0.72 0.00 10.12 0.28 -1.26 -4.92 120.64 134.77 1vle n GLU 530 Ca 0.18 -1.58 0.00 0.00 -0.16 0.00 0.00 57.16 55.60 1vle n GLU 530 Cb 0.50 2.09 0.00 0.00 1.43 0.00 0.00 31.44 35.46 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 -0.67 3.13 0.04 -1.84 0.00 -1.17 -1.27 105.19 103.41 1vle n GLY 531 Ca -0.03 0.21 0.14 0.00 0.00 0.00 0.00 46.02 46.33 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 14.00 0.10 -0.36 1.61 1.02 -0.01 -4.21 120.64 132.79 1vle n GLU 532 Ca 0.00 0.07 0.10 0.00 -0.02 0.00 0.00 57.16 57.31 1vle n GLU 532 Cb 0.00 -1.61 0.27 0.00 -0.02 0.00 0.00 31.44 30.09 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 0.83 0.00 2.62 2.07 -1.41 -2.34 116.25 118.02 1vle h VAL 533 Ca 0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1vle h VAL 533 Cb 0.59 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1vle h VAL 533 CO 0.00 0.16 0.00 -2.65 0.02 0.00 0.00 177.57 175.10 1vle n PRO 534 N -4.68 0.62 -0.00 1.57 -0.02 -1.26 -2.15 135.00 129.08 1vle n PRO 534 Ca 0.21 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.73 1vle n PRO 534 Cb 0.45 -1.25 -0.05 0.00 -0.02 0.00 0.00 33.50 32.62 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 0.07 0.00 -1.69 6.00 3.01 -0.88 -3.07 117.46 120.90 1vle n PHE 535 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 1vle n PHE 535 Cb 0.13 -0.05 0.04 0.00 -0.01 0.00 0.00 39.48 39.59 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 -2.00 2.63 -0.06 4.37 0.00 -0.91 -4.49 121.76 121.30 1vle s ALA 536 Ca 0.02 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1vle s ALA 536 Cb 0.06 -3.22 -0.25 0.00 0.00 0.00 0.00 23.12 19.71 1vle s ALA 536 CO 0.35 -1.17 0.61 -0.44 0.00 0.00 0.00 175.76 175.11 1vle h ASP 537 N -0.35 0.25 -3.58 0.00 3.32 -0.81 -3.41 116.42 111.83 1vle h ASP 537 Ca -0.45 -0.49 -0.39 0.00 0.02 0.00 0.00 57.03 55.72 1vle h ASP 537 Cb 1.22 -0.08 -0.33 0.00 0.22 0.00 0.00 39.33 40.36 1vle h ASP 537 CO 0.56 1.43 -0.77 -0.63 -1.72 0.00 0.00 179.24 178.11 1vle s ILE 538 N -2.59 0.51 -0.08 0.35 -1.09 -0.98 -1.28 121.20 116.04 1vle s ILE 538 Ca -0.12 -0.15 0.05 0.00 -2.23 0.00 0.00 60.65 58.20 1vle s ILE 538 Cb 0.07 -0.51 -0.01 0.00 -1.58 0.00 0.00 42.46 40.43 1vle s ILE 538 CO 0.81 0.20 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.87 1vle s ILE 539 N 0.65 2.25 -0.16 2.92 1.01 0.41 -0.50 121.20 127.79 1vle s ILE 539 Ca -0.08 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.60 1vle s ILE 539 Cb -0.12 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.52 1vle s ILE 539 CO 0.00 0.56 -0.20 -0.76 0.00 0.00 0.00 174.94 174.54 1vle s LEU 540 N -0.01 2.18 -0.34 2.97 1.43 0.54 -1.46 118.68 124.00 1vle s LEU 540 Ca -0.08 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.14 1vle s LEU 540 Cb -0.15 -1.48 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 1vle s LEU 540 CO 0.05 0.05 1.42 -2.84 0.23 0.00 0.00 176.35 175.27 1vle s PRO 541 N 0.98 3.72 0.16 1.29 0.02 -1.26 -2.13 135.00 137.78 1vle s PRO 541 Ca -0.03 1.19 0.04 0.00 0.02 0.00 0.00 61.00 62.23 1vle s PRO 541 Cb -0.15 -3.98 -0.04 0.00 0.02 0.00 0.00 34.50 30.35 1vle s PRO 541 CO -0.05 -1.38 0.20 0.00 -0.33 0.00 0.00 177.00 175.44 1vle s ALA 542 N 5.09 3.73 0.37 -1.55 0.00 0.32 -1.56 121.76 128.16 1vle s ALA 542 Ca 0.62 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 51.51 1vle s ALA 542 Cb -0.17 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 1vle s ALA 542 CO 0.29 0.51 0.34 0.00 0.00 0.00 0.00 175.76 176.90 1vle s THR 544 N -2.37 2.02 -0.38 0.00 -4.23 -1.26 -4.83 115.64 104.59 1vle s THR 544 Ca 0.44 -0.02 0.22 0.00 -1.18 0.00 0.00 61.69 61.16 1vle s THR 544 Cb -0.05 -3.00 0.22 0.00 1.34 0.00 0.00 72.50 71.01 1vle s THR 544 CO 0.27 0.00 1.66 -0.46 -0.54 0.00 0.00 174.62 175.56 1vle n ASN 545 N -3.30 0.59 0.00 3.99 6.94 -1.26 -1.51 115.26 120.71 1vle n ASN 545 Ca 0.08 0.70 0.14 0.00 -0.02 0.00 0.00 54.58 55.48 1vle n ASN 545 Cb 0.61 -0.80 0.70 0.00 -2.36 0.00 0.00 39.78 37.93 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 -2.21 0.00 -0.53 -2.53 3.01 -1.26 -3.29 117.46 110.64 1vle n PHE 546 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 1vle n PHE 546 Cb 0.13 -0.36 0.19 0.00 -0.01 0.00 0.00 39.48 39.43 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 -1.36 2.84 -3.88 -1.08 1.02 -0.57 -1.57 120.64 116.04 1vle n GLU 547 Ca 0.11 -2.36 -0.09 0.00 -0.02 0.00 0.00 57.16 54.80 1vle n GLU 547 Cb 0.27 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.82 1.34 0.12 3.49 1.70 -1.21 -4.32 118.95 118.26 1vle s ARG 548 Ca 0.30 -1.06 -0.19 0.00 -0.47 0.00 0.00 55.73 54.31 1vle s ARG 548 Cb 0.21 0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 34.98 1vle s ARG 548 CO 0.11 -0.54 0.61 -1.58 -1.08 0.00 0.00 175.30 172.82 1vle s TRP 549 N -3.94 3.75 0.07 5.89 0.52 -1.26 -3.58 118.94 120.38 1vle s TRP 549 Ca 0.15 1.28 -0.03 0.00 0.02 0.00 0.00 56.10 57.52 1vle s TRP 549 Cb 0.01 -2.51 0.01 0.00 -1.15 0.00 0.00 33.47 29.82 1vle s TRP 549 CO 0.01 0.51 0.17 -3.47 0.02 0.00 0.00 176.95 174.18 1vle n ASP 550 N 1.34 -0.42 -3.62 2.95 -0.08 -0.71 -4.75 116.55 111.25 1vle n ASP 550 Ca -0.07 -1.27 -0.16 0.00 -1.51 0.00 0.00 54.79 51.77 1vle n ASP 550 Cb 0.51 0.69 -0.07 0.00 2.34 0.00 0.00 41.12 44.59 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 -2.73 0.02 0.11 5.18 2.07 -1.26 -1.43 121.20 123.16 1vle s ILE 551 Ca 0.03 -0.17 -0.25 0.00 -1.41 0.00 0.00 60.65 58.85 1vle s ILE 551 Cb -0.01 -0.85 0.08 0.00 0.13 0.00 0.00 42.46 41.82 1vle s ILE 551 CO 0.02 -0.10 1.10 -0.94 -1.91 0.00 0.00 174.94 173.12 1vle s SER 552 N -1.15 -0.04 0.04 4.50 1.04 -1.02 -0.83 113.70 116.25 1vle s SER 552 Ca -0.11 -0.45 0.08 0.00 0.48 0.00 0.00 55.95 55.95 1vle s SER 552 Cb -0.02 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 1vle s SER 552 CO 0.07 -0.74 -0.23 -0.70 0.98 0.00 0.00 173.24 172.62 1vle s GLU 553 N -2.43 1.57 -0.34 4.02 2.12 -1.26 -1.37 118.70 121.01 1vle s GLU 553 Ca 0.20 -1.00 -0.36 0.00 0.36 0.00 0.00 54.97 54.16 1vle s GLU 553 Cb -0.01 -1.70 -0.12 0.00 0.26 0.00 0.00 34.13 32.56 1vle s GLU 553 CO 0.02 0.44 2.15 0.34 -0.54 0.00 0.00 175.26 177.67 1vle n PHE 554 N 1.84 1.65 -1.09 5.30 -0.00 0.10 -1.80 117.46 123.46 1vle n PHE 554 Ca -0.17 0.29 -0.03 0.00 -0.00 0.00 0.00 57.45 57.54 1vle n PHE 554 Cb 0.53 -2.53 -0.01 0.00 -0.00 0.00 0.00 39.48 37.47 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 9.37 -0.05 -2.48 3.13 0.00 -1.26 -4.72 120.51 124.50 1vle n ALA 555 Ca 0.40 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 1vle n ALA 555 Cb 0.22 -1.49 -0.02 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.12 6.30 -0.21 0.00 3.84 -0.74 -4.43 114.94 117.56 1vle s ASN 556 Ca 0.00 0.23 -0.16 0.00 0.21 0.00 0.00 52.86 53.14 1vle s ASN 556 Cb 0.00 -2.55 -0.10 0.00 -0.55 0.00 0.00 41.25 38.05 1vle s ASN 556 CO 0.00 -1.58 -0.21 0.00 -2.79 0.00 0.00 177.10 172.51 1vle n SER 558 N -4.41 -0.21 0.00 0.00 2.88 -1.17 -1.51 113.62 109.20 1vle n SER 558 Ca -0.31 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 1vle n SER 558 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 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 2.27 0.00 0.46 0.00 -1.26 -1.16 105.19 105.51 1vle n GLY 559 Ca 0.00 0.34 0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 4.47 0.00 -3.08 1.61 4.02 -1.26 -3.28 117.16 119.63 1vle n TYR 560 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.70 1vle n TYR 560 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 1vle n TYR 560 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1vle n ILE 561 N -0.62 -0.46 -1.59 -0.72 5.41 -0.31 -4.35 119.36 116.72 1vle n ILE 561 Ca 0.04 -3.49 -0.48 0.00 1.00 0.00 0.00 62.75 59.83 1vle n ILE 561 Cb 0.02 -0.92 -0.04 0.00 -0.71 0.00 0.00 39.64 38.00 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 1.27 1.33 -4.05 0.38 -0.02 -1.20 -2.41 135.00 130.29 1vle n PRO 562 Ca 0.19 0.47 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 1vle n PRO 562 Cb 0.57 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 1.96 -3.73 0.00 2.55 8.00 -1.26 -4.85 116.55 119.22 1vle n ASP 563 Ca 0.14 -0.90 0.09 0.00 0.71 0.00 0.00 54.79 54.83 1vle n ASP 563 Cb 0.26 -3.34 0.55 0.00 -0.02 0.00 0.00 41.12 38.57 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 -2.77 0.00 0.05 -2.24 2.04 -1.01 -2.73 115.26 108.60 1vle n ASN 564 Ca 0.02 -1.01 0.08 0.00 -0.44 0.00 0.00 54.58 53.23 1vle n ASN 564 Cb 0.53 0.00 0.34 0.00 -2.53 0.00 0.00 39.78 38.12 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 -0.86 0.27 0.94 -2.53 4.11 -1.26 -2.01 117.16 115.81 1vle n TYR 565 Ca 0.14 0.11 0.01 0.00 -0.00 0.00 0.00 57.90 58.16 1vle n TYR 565 Cb 0.06 -0.68 0.08 0.00 -0.00 0.00 0.00 39.34 38.80 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 -1.75 0.47 0.11 -3.48 10.64 -1.10 -1.60 117.38 120.66 1vle n GLN 566 Ca 0.02 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.21 1vle n GLN 566 Cb 0.16 -1.09 -0.00 0.00 -0.86 0.00 0.00 30.24 28.45 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 0.00-10.42 2.61 3.38 -1.57 -3.15 115.31 106.16 1vle h LEU 567 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 1vle h LEU 567 Cb 0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 1vle h LEU 567 CO 0.00 0.52 -0.18 0.00 0.09 0.00 0.00 178.44 178.87 1vle h ASN 569 N 0.48 0.00 -5.00 0.00 2.35 -1.86 -3.46 115.58 108.08 1vle h ASN 569 Ca -0.43 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.17 1vle h ASN 569 Cb 1.28 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.46 1vle h ASN 569 CO 0.50 0.03 -0.20 -1.00 -1.65 0.00 0.00 177.43 175.11 1vle s HIS 570 N -3.16 -0.24 -0.42 1.19 3.76 -1.26 -4.84 115.29 110.33 1vle s HIS 570 Ca 0.08 0.33 -0.24 0.00 -0.15 0.00 0.00 55.06 55.08 1vle s HIS 570 Cb 0.11 0.15 0.02 0.00 1.11 0.00 0.00 32.58 33.97 1vle s HIS 570 CO 0.65 -0.45 0.84 1.03 -0.85 0.00 0.00 174.74 175.96 1vle s ARG 571 N -1.59 3.59 -0.25 1.40 0.52 -1.26 -4.96 118.95 116.40 1vle s ARG 571 Ca -0.11 0.17 -0.02 0.00 -0.52 0.00 0.00 55.73 55.24 1vle s ARG 571 Cb -0.04 -3.88 0.02 0.00 0.52 0.00 0.00 34.95 31.58 1vle s ARG 571 CO 0.03 -1.05 -0.04 0.08 0.02 0.00 0.00 175.30 174.34 1vle s VAL 572 N 3.39 3.00 -0.27 3.52 1.01 -1.26 -1.17 120.40 128.61 1vle s VAL 572 Ca 0.33 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 1vle s VAL 572 Cb -0.12 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1vle s VAL 572 CO 0.22 0.18 0.14 -0.63 0.00 0.00 0.00 175.10 175.01 1vle s ILE 573 N 1.34 4.91 0.08 2.22 1.01 -0.02 -0.73 121.20 130.01 1vle s ILE 573 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.72 1vle s ILE 573 Cb -0.17 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1vle s ILE 573 CO -0.04 0.28 -0.13 -0.94 0.00 0.00 0.00 174.94 174.11 1vle s SER 574 N 1.70 1.58 -0.04 3.58 1.04 -0.47 0.81 113.70 121.91 1vle s SER 574 Ca 0.07 -0.66 -0.28 0.00 0.48 0.00 0.00 55.95 55.56 1vle s SER 574 Cb -0.16 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 1vle s SER 574 CO 0.08 -0.13 0.88 -0.22 0.98 0.00 0.00 173.24 174.84 1vle s LEU 575 N -1.91 4.34 -0.88 2.42 2.96 0.81 -2.43 118.68 123.99 1vle s LEU 575 Ca -0.01 1.48 -0.17 0.00 -0.22 0.00 0.00 54.13 55.21 1vle s LEU 575 Cb -0.08 -3.40 0.16 0.00 0.50 0.00 0.00 46.19 43.38 1vle s LEU 575 CO 0.02 -0.23 0.97 -1.10 -1.32 0.00 0.00 176.35 174.69 1vle s GLN 576 N 1.06 3.58 0.34 1.98 -0.21 -0.51 -3.56 119.66 122.34 1vle s GLN 576 Ca 0.46 -2.02 -0.28 0.00 0.02 0.00 0.00 55.36 53.54 1vle s GLN 576 Cb -0.20 -4.70 -0.10 0.00 1.00 0.00 0.00 33.01 29.01 1vle s GLN 576 CO 0.23 -1.58 1.28 0.00 -2.12 0.00 0.00 175.29 173.10 1vle s ALA 577 N 1.70 3.43 -0.65 6.09 0.00 -0.03 -1.75 121.76 130.55 1vle s ALA 577 Ca 0.26 1.20 -0.27 0.00 0.00 0.00 0.00 51.96 53.16 1vle s ALA 577 Cb -0.08 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1vle s ALA 577 CO -0.09 -0.61 1.72 0.21 0.00 0.00 0.00 175.76 176.99 1vle s LYS 578 N -1.86 2.76 0.15 0.00 2.20 -1.23 -4.74 119.74 117.00 1vle s LYS 578 Ca 0.50 0.39 -0.07 0.00 -0.36 0.00 0.00 55.97 56.43 1vle s LYS 578 Cb -0.38 -4.35 -0.03 0.00 -1.51 0.00 0.00 37.83 31.56 1vle s LYS 578 CO 0.50 -2.60 1.40 0.00 -0.36 0.00 0.00 175.35 174.29 1vle s ILE 580 N -3.81 0.05 0.47 0.00 -4.36 -1.11 -4.82 121.20 107.62 1vle s ILE 580 Ca -0.08 -1.81 -0.21 0.00 -0.26 0.00 0.00 60.65 58.29 1vle s ILE 580 Cb 0.10 -2.20 -0.08 0.00 1.25 0.00 0.00 42.46 41.53 1vle s ILE 580 CO 0.87 -0.21 1.06 -1.61 0.24 0.00 0.00 174.94 175.29 1vle s GLU 581 N -4.07 3.81 0.22 0.37 0.41 -1.26 -4.38 118.70 113.80 1vle s GLU 581 Ca 0.28 1.44 -0.31 0.00 -0.41 0.00 0.00 54.97 55.98 1vle s GLU 581 Cb 0.06 -2.18 -0.15 0.00 -1.78 0.00 0.00 34.13 30.07 1vle s GLU 581 CO 0.06 -0.43 1.08 -2.30 -0.49 0.00 0.00 175.26 173.18 1vle n PRO 582 N -0.81 1.22 -2.40 0.39 -0.02 -1.26 -4.89 135.00 127.23 1vle n PRO 582 Ca 0.09 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 1vle n PRO 582 Cb 0.52 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 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 -0.56 3.77 0.00 -1.45 1.01 -1.26 -4.75 120.40 117.16 1vle s VAL 583 Ca 0.67 1.39 0.00 0.00 0.00 0.00 0.00 61.98 64.04 1vle s VAL 583 Cb -0.79 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 31.70 1vle s VAL 583 CO 0.55 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.44 1vle n GLY 584 N 2.61 2.66 1.80 4.51 0.00 -1.26 -2.49 105.19 113.03 1vle n GLY 584 Ca 0.06 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 1vle n GLY 584 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vle n GLU 585 N 13.63 3.33 -1.81 1.61 1.02 0.58 -4.99 120.64 134.01 1vle n GLU 585 Ca 0.00 -3.07 -0.30 0.00 -0.02 0.00 0.00 57.16 53.76 1vle n GLU 585 Cb 0.00 -2.13 0.04 0.00 -0.02 0.00 0.00 31.44 29.33 1vle n GLU 585 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1vle s SER 586 N -1.33 5.56 0.10 1.62 1.04 -1.04 -4.77 113.70 114.87 1vle s SER 586 Ca 0.53 1.28 -0.14 0.00 0.48 0.00 0.00 55.95 58.10 1vle s SER 586 Cb 0.43 -2.15 0.02 0.00 0.10 0.00 0.00 66.02 64.42 1vle s SER 586 CO 0.11 -1.29 0.34 0.00 0.98 0.00 0.00 173.24 173.39 1vle s MET 587 N -5.25 0.97 0.59 4.02 0.23 -0.60 -4.72 119.30 114.53 1vle s MET 587 Ca 0.58 -0.71 -0.20 0.00 -1.03 0.00 0.00 55.69 54.32 1vle s MET 587 Cb -0.12 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.57 1vle s MET 587 CO 0.53 -0.35 1.32 -1.13 -2.03 0.00 0.00 175.02 173.35 1vle n SER 588 N -0.03 2.37 -0.30 -1.18 3.41 -1.26 -2.55 113.62 114.08 1vle n SER 588 Ca -0.16 0.91 0.10 0.00 -0.26 0.00 0.00 58.87 59.46 1vle n SER 588 Cb 0.63 -1.56 0.33 0.00 -0.26 0.00 0.00 64.21 63.34 1vle n SER 588 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1vle h ASP 589 N 1.04 0.75 -0.24 4.04 3.32 -1.93 -0.78 116.42 122.62 1vle h ASP 589 Ca -0.51 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1vle h ASP 589 Cb 1.32 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1vle h ASP 589 CO 0.55 0.40 0.11 0.22 -1.72 0.00 0.00 179.24 178.80 1vle h TYR 590 N 0.81 0.35 0.00 4.55 5.03 -1.93 0.07 116.97 125.85 1vle h TYR 590 Ca 0.45 -0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.71 1vle h TYR 590 Cb 0.60 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 1vle h TYR 590 CO -0.00 0.35 -0.18 0.93 -1.32 0.00 0.00 178.16 177.93 1vle h GLU 591 N 0.26 0.00 -0.07 1.82 4.39 -1.64 0.19 114.58 119.53 1vle h GLU 591 Ca 0.08 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 1vle h GLU 591 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1vle h GLU 591 CO -0.01 0.18 -0.14 0.82 -1.16 0.00 0.00 179.01 178.70 1vle h ILE 592 N 0.00 1.41 -0.46 3.13 2.04 -0.62 -2.06 117.51 120.96 1vle h ILE 592 Ca -0.00 -1.45 -0.06 0.00 1.00 0.00 0.00 64.86 64.35 1vle h ILE 592 Cb 0.47 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 1vle h ILE 592 CO 0.02 0.41 0.03 1.88 0.00 0.00 0.00 178.15 180.49 1vle h TYR 593 N -0.27 0.77 -0.36 1.37 0.99 -0.41 -1.01 116.97 118.06 1vle h TYR 593 Ca 0.00 -0.09 -0.06 0.00 2.00 0.00 0.00 58.73 60.58 1vle h TYR 593 Cb 0.73 -0.22 -0.02 0.00 1.00 0.00 0.00 36.73 38.22 1vle h TYR 593 CO 0.11 0.71 -0.04 -0.09 -0.00 0.00 0.00 178.16 178.86 1vle h ARG 594 N 0.70 0.58 -0.27 4.88 2.43 -0.64 0.42 114.38 122.47 1vle h ARG 594 Ca 0.14 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1vle h ARG 594 Cb 0.39 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1vle h ARG 594 CO 0.01 0.63 -0.15 1.25 -1.51 0.00 0.00 179.97 180.20 1vle h LEU 595 N 0.54 0.60 -0.83 3.80 5.85 -0.60 -2.08 115.31 122.60 1vle h LEU 595 Ca 0.11 -0.42 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 1vle h LEU 595 Cb 0.40 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1vle h LEU 595 CO 0.02 0.89 0.10 -0.26 -0.34 0.00 0.00 178.44 178.85 1vle h PHE 596 N 0.31 1.03 -0.89 1.25 -1.00 -0.70 -2.53 116.94 114.42 1vle h PHE 596 Ca 0.06 -0.13 0.04 0.00 2.81 0.00 0.00 57.97 60.75 1vle h PHE 596 Cb 0.67 -0.29 -0.05 0.00 3.61 0.00 0.00 35.95 39.89 1vle h PHE 596 CO 0.06 0.87 0.58 0.00 -1.61 0.00 0.00 178.31 178.22 1vle h ALA 597 N 1.18 1.44 -0.12 2.45 0.00 0.01 0.12 119.26 124.34 1vle h ALA 597 Ca 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1vle h ALA 597 Cb 0.39 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1vle h ALA 597 CO 0.01 0.47 0.01 -0.22 0.00 0.00 0.00 179.25 179.52 1vle h LYS 598 N 1.11 0.20 0.00 0.00 3.64 -1.00 0.27 116.57 120.79 1vle h LYS 598 Ca 0.35 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1vle h LYS 598 Cb 0.02 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1vle h LYS 598 CO -0.11 0.42 0.00 1.63 -2.27 0.00 0.00 179.45 179.12 1vle n LYS 599 N -4.82 0.12 -0.15 1.90 5.02 -0.88 -1.92 118.16 117.43 1vle n LYS 599 Ca -0.06 0.30 0.11 0.00 -2.02 0.00 0.00 58.31 56.64 1vle n LYS 599 Cb 0.18 -1.70 0.18 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.92 3.21 -2.20 -0.35 4.77 0.38 -4.97 117.00 115.91 1vle n LEU 600 Ca 0.04 -1.45 -0.17 0.00 -0.03 0.00 0.00 56.01 54.40 1vle n LEU 600 Cb 0.25 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1vle n LEU 600 CO 0.20 0.68 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.64 1vle n ASN 601 N 1.30 -5.10 -0.64 -1.43 5.15 -0.74 -4.90 115.26 108.89 1vle n ASN 601 Ca 0.17 -0.13 0.03 0.00 -0.60 0.00 0.00 54.58 54.04 1vle n ASN 601 Cb 0.55 -4.07 0.04 0.00 -0.53 0.00 0.00 39.78 35.78 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 -4.15 0.46 -0.16 -1.44 -5.35 0.88 -4.91 119.36 104.69 1vle n ILE 602 Ca -0.14 -0.80 -0.03 0.00 -0.27 0.00 0.00 62.75 61.51 1vle n ILE 602 Cb 0.62 0.43 0.06 0.00 -1.74 0.00 0.00 39.64 39.02 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 0.27 0.37 -0.28 6.28 4.81 -1.66 -1.53 114.58 122.84 1vle h GLU 603 Ca -0.05 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1vle h GLU 603 Cb 1.41 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 1vle h GLU 603 CO 0.02 0.24 0.18 1.49 -0.73 0.00 0.00 179.01 180.21 1vle h GLU 604 N 0.38 0.35 -0.82 1.92 4.57 -1.90 0.16 114.58 119.23 1vle h GLU 604 Ca 0.24 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1vle h GLU 604 Cb 0.24 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1vle h GLU 604 CO -0.23 0.23 0.39 0.52 -1.18 0.00 0.00 179.01 178.75 1vle h MET 605 N 0.36 1.19 0.19 1.92 2.86 -1.88 0.29 114.93 119.86 1vle h MET 605 Ca 0.10 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1vle h MET 605 Cb -0.03 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.41 1vle h MET 605 CO -0.03 0.91 -0.09 0.35 1.06 0.00 0.00 176.91 179.11 1vle h PHE 606 N 1.17 -0.24 0.00 -0.22 3.57 -0.95 -3.38 116.94 116.90 1vle h PHE 606 Ca 0.28 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 1vle h PHE 606 Cb 0.12 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1vle h PHE 606 CO 0.01 0.14 -0.83 0.66 -2.23 0.00 0.00 178.31 176.07 1vle h SER 607 N -0.92 0.00 -2.89 0.41 4.64 -0.73 -3.47 113.55 110.59 1vle h SER 607 Ca -0.03 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.01 1vle h SER 607 Cb 0.49 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.53 1vle h SER 607 CO 0.04 0.30 -0.33 -0.62 -0.87 0.00 0.00 176.83 175.35 1vle n GLU 608 N -2.95 -1.85 -1.25 4.77 1.02 0.10 -0.46 120.64 120.02 1vle n GLU 608 Ca -0.02 0.74 -0.09 0.00 -0.02 0.00 0.00 57.16 57.78 1vle n GLU 608 Cb 0.68 -5.24 -0.04 0.00 -0.02 0.00 0.00 31.44 26.82 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 -0.66 1.05 3.56 0.62 0.00 -1.26 -5.03 105.19 103.47 1vle n GLY 609 Ca -0.16 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.71 2.66 0.67 1.61 1.02 0.39 -5.11 119.74 118.28 1vle s LYS 610 Ca 0.00 -0.60 -0.02 0.00 0.02 0.00 0.00 55.97 55.37 1vle s LYS 610 Cb 0.00 -2.53 0.09 0.00 -0.52 0.00 0.00 37.83 34.87 1vle s LYS 610 CO 0.00 0.65 0.94 0.16 -0.92 0.00 0.00 175.35 176.17 1vle s ASP 611 N -0.86 4.69 0.23 2.83 1.47 -1.26 -4.87 116.67 118.91 1vle s ASP 611 Ca 0.13 -0.08 -0.07 0.00 1.18 0.00 0.00 52.55 53.71 1vle s ASP 611 Cb -0.11 -0.51 0.39 0.00 -0.34 0.00 0.00 42.92 42.36 1vle s ASP 611 CO 0.02 -1.61 1.70 -0.33 0.68 0.00 0.00 175.17 175.63 1vle h GLU 612 N -0.38 0.29 -0.60 2.11 5.08 -1.99 -0.94 114.58 118.15 1vle h GLU 612 Ca -0.40 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1vle h GLU 612 Cb 1.28 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1vle h GLU 612 CO 0.48 0.19 0.35 1.25 -1.00 0.00 0.00 179.01 180.28 1vle h LEU 613 N 0.30 0.71 -0.55 1.33 5.85 -1.94 -1.04 115.31 119.98 1vle h LEU 613 Ca 0.38 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.96 1vle h LEU 613 Cb 0.60 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1vle h LEU 613 CO -0.45 0.55 -0.04 0.00 -0.34 0.00 0.00 178.44 178.17 1vle h ALA 614 N 1.57 0.75 -0.70 1.25 0.00 -1.55 -2.34 119.26 118.23 1vle h ALA 614 Ca 0.21 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1vle h ALA 614 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1vle h ALA 614 CO -0.04 0.60 0.25 -1.49 0.00 0.00 0.00 179.25 178.57 1vle h TRP 615 N 0.88 1.07 -0.54 0.00 4.06 -0.79 -2.43 115.95 118.20 1vle h TRP 615 Ca 0.15 -0.09 0.03 0.00 2.06 0.00 0.00 58.89 61.04 1vle h TRP 615 Cb 0.59 -0.32 -0.04 0.00 -1.00 0.00 0.00 29.16 28.39 1vle h TRP 615 CO 0.04 0.84 0.32 0.00 -3.56 0.00 0.00 178.44 176.08 1vle h GLU 617 N 0.63 0.50 -0.95 0.00 4.81 -1.18 0.28 114.58 118.67 1vle h GLU 617 Ca 0.22 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1vle h GLU 617 Cb 0.04 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1vle h GLU 617 CO -0.10 0.50 0.58 0.37 -0.73 0.00 0.00 179.01 179.62 1vle h GLN 618 N 0.39 1.29 -0.31 1.92 4.15 -1.02 -1.47 115.11 120.06 1vle h GLN 618 Ca 0.11 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1vle h GLN 618 Cb 0.19 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1vle h GLN 618 CO -0.01 0.90 0.13 -0.92 -1.93 0.00 0.00 178.83 177.00 1vle h TYR 619 N 1.31 0.46 -0.56 3.99 3.20 0.05 -2.93 116.97 122.49 1vle h TYR 619 Ca 0.34 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.24 1vle h TYR 619 Cb -0.06 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.02 1vle h TYR 619 CO 0.01 0.43 0.28 0.35 -1.64 0.00 0.00 178.16 177.59 1vle h PHE 620 N 0.35 0.51 0.00 -3.82 3.57 0.13 -2.17 116.94 115.52 1vle h PHE 620 Ca 0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1vle h PHE 620 Cb 0.16 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1vle h PHE 620 CO -0.01 0.24 0.00 -0.91 -2.23 0.00 0.00 178.31 175.40 1vle h ASN 621 N 0.53 0.00 -0.35 0.41 2.35 -1.14 -2.59 115.58 114.79 1vle h ASN 621 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1vle h ASN 621 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1vle h ASN 621 CO -0.18 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.60 1vle n ALA 622 N -1.89 2.45 -3.78 -0.83 0.00 -0.82 -4.87 120.51 110.77 1vle n ALA 622 Ca 0.01 -0.63 -0.05 0.00 0.00 0.00 0.00 53.44 52.77 1vle n ALA 622 Cb 0.23 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 0.55 0.00 1.22 0.00 -2.24 -0.98 -4.72 114.28 108.11 1vle n THR 623 Ca 0.12 -0.38 0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1vle n THR 623 Cb 0.31 -0.23 0.38 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.62 0.88 -0.33 3.42 10.43 -0.61 -4.28 116.55 124.44 1vle n ASP 624 Ca -0.02 -0.74 0.19 0.00 2.57 0.00 0.00 54.79 56.79 1vle n ASP 624 Cb 0.11 0.13 0.43 0.00 1.84 0.00 0.00 41.12 43.63 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 0.94 0.51 -0.00 -1.24 2.86 -1.80 0.12 114.93 116.33 1vle h MET 625 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1vle h MET 625 Cb 0.49 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1vle h MET 625 CO 0.00 0.34 0.17 -1.35 1.06 0.00 0.00 176.91 177.13 1vle h PRO 626 N 0.52 0.00 0.00 -0.22 0.11 -1.75 0.18 132.00 130.85 1vle h PRO 626 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1vle h PRO 626 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1vle h PRO 626 CO -0.37 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 178.29 1vle h LYS 627 N 0.00 0.00 0.00 1.05 1.57 -1.07 -3.33 116.57 114.79 1vle h LYS 627 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1vle h LYS 627 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1vle h LYS 627 CO -0.00 0.00 -1.45 0.66 -0.57 0.00 0.00 179.45 178.09 1vle n TYR 628 N -2.99 0.00 -3.59 -1.35 4.02 0.51 -5.09 117.16 108.67 1vle n TYR 628 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1vle n TYR 628 Cb 0.28 -0.31 -0.05 0.00 -0.02 0.00 0.00 39.34 39.24 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 -2.16 1.03 0.78 -0.72 0.23 -0.55 -5.11 119.30 112.79 1vle s MET 629 Ca -0.09 -0.33 -0.12 0.00 -1.03 0.00 0.00 55.69 54.12 1vle s MET 629 Cb 0.03 0.47 0.06 0.00 -1.53 0.00 0.00 34.83 33.85 1vle s MET 629 CO 0.20 -0.38 1.15 0.95 -2.03 0.00 0.00 175.02 174.92 1vle s THR 630 N -2.67 2.48 0.13 3.16 -4.23 -1.26 -3.84 115.64 109.41 1vle s THR 630 Ca -0.04 0.16 -0.20 0.00 -1.18 0.00 0.00 61.69 60.43 1vle s THR 630 Cb -0.00 -3.15 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 1vle s THR 630 CO -0.04 -0.20 1.71 -0.25 -0.54 0.00 0.00 174.62 175.30 1vle h TRP 631 N -0.94 -0.06 -0.57 3.99 2.91 -1.96 -0.03 115.95 119.29 1vle h TRP 631 Ca -0.46 0.02 0.05 0.00 1.13 0.00 0.00 58.89 59.63 1vle h TRP 631 Cb 1.31 0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.96 1vle h TRP 631 CO 0.37 -0.06 0.29 -0.44 -1.03 0.00 0.00 178.44 177.58 1vle h ASP 632 N 0.03 0.42 -0.28 2.65 3.45 -1.98 0.36 116.42 121.07 1vle h ASP 632 Ca 0.10 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.57 1vle h ASP 632 Cb 0.13 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 1vle h ASP 632 CO -0.18 0.28 0.11 -0.33 -1.57 0.00 0.00 179.24 177.55 1vle h GLU 633 N 0.56 0.42 0.00 3.56 5.08 -1.84 -1.01 114.58 121.35 1vle h GLU 633 Ca 0.25 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1vle h GLU 633 Cb 0.16 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1vle h GLU 633 CO -0.17 0.44 -0.00 0.35 -1.00 0.00 0.00 179.01 178.62 1vle h PHE 634 N 0.30 -0.01 -0.52 4.33 3.57 -0.50 -0.30 116.94 123.82 1vle h PHE 634 Ca 0.09 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.69 1vle h PHE 634 Cb 0.18 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.84 1vle h PHE 634 CO -0.01 -0.00 0.06 0.35 -2.23 0.00 0.00 178.31 176.48 1vle h PHE 635 N -0.01 0.08 -0.37 0.41 3.57 -0.12 0.11 116.94 120.62 1vle h PHE 635 Ca 0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1vle h PHE 635 Cb 0.01 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1vle h PHE 635 CO -0.08 -0.06 0.12 -0.22 -2.23 0.00 0.00 178.31 175.83 1vle h LYS 636 N 0.18 0.57 -0.40 1.11 3.64 -0.83 -3.15 116.57 117.69 1vle h LYS 636 Ca 0.26 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 1vle h LYS 636 Cb 0.38 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1vle h LYS 636 CO -0.38 0.59 -0.24 -0.22 -2.27 0.00 0.00 179.45 176.93 1vle h LYS 637 N 0.45 0.82 0.00 1.90 3.64 -0.40 -3.47 116.57 119.50 1vle h LYS 637 Ca 0.12 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1vle h LYS 637 Cb 0.25 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1vle h LYS 637 CO -0.00 0.97 0.00 0.41 -2.27 0.00 0.00 179.45 178.56 1vle n GLY 638 N -0.18 2.86 3.40 5.01 0.00 0.33 -4.98 105.19 111.63 1vle n GLY 638 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.15 -0.46 -0.02 1.61 -0.85 -1.26 -0.14 117.35 114.08 1vle s TYR 639 Ca 0.00 0.30 0.01 0.00 -0.52 0.00 0.00 57.07 56.86 1vle s TYR 639 Cb 0.00 0.46 0.01 0.00 0.38 0.00 0.00 41.96 42.81 1vle s TYR 639 CO 0.00 -0.78 -0.03 0.12 -1.52 0.00 0.00 175.55 173.34 1vle s PHE 640 N -3.44 0.42 -0.40 -3.49 5.36 0.24 -4.97 117.98 111.70 1vle s PHE 640 Ca -0.00 -0.07 -0.13 0.00 -0.96 0.00 0.00 56.93 55.77 1vle s PHE 640 Cb -0.00 -0.37 0.02 0.00 -0.34 0.00 0.00 43.02 42.33 1vle s PHE 640 CO -0.10 -0.08 0.26 0.08 -1.46 0.00 0.00 175.22 173.92 1vle s VAL 641 N 0.43 4.95 0.21 3.12 1.01 -1.26 -0.84 120.40 128.02 1vle s VAL 641 Ca -0.05 -0.76 -0.32 0.00 0.00 0.00 0.00 61.98 60.86 1vle s VAL 641 Cb -0.08 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 1vle s VAL 641 CO -0.01 -0.28 1.68 -0.69 0.00 0.00 0.00 175.10 175.80 1vle s VAL 642 N 1.62 2.15 0.77 2.92 1.01 -0.32 -4.33 120.40 124.23 1vle s VAL 642 Ca 0.04 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 1vle s VAL 642 Cb -0.19 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.18 1vle s VAL 642 CO 0.08 0.01 1.20 -2.84 0.00 0.00 0.00 175.10 173.56 1vle s PRO 643 N 1.00 1.89 0.62 2.72 0.02 -1.26 -4.64 135.00 135.36 1vle s PRO 643 Ca 0.73 1.75 -0.14 0.00 0.02 0.00 0.00 61.00 63.35 1vle s PRO 643 Cb -0.48 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 1vle s PRO 643 CO 0.33 -2.02 1.06 0.34 -0.33 0.00 0.00 177.00 176.38 1vle s ASP 644 N -2.13 5.68 -0.65 2.53 3.68 -1.26 -4.62 116.67 119.91 1vle s ASP 644 Ca 0.73 1.74 0.05 0.00 2.13 0.00 0.00 52.55 57.20 1vle s ASP 644 Cb -0.29 -2.52 0.17 0.00 -1.45 0.00 0.00 42.92 38.83 1vle s ASP 644 CO 0.48 -1.24 0.45 0.21 0.13 0.00 0.00 175.17 175.21 1vle s ASN 645 N -3.12 4.29 0.23 -0.34 3.84 -1.26 -4.97 114.94 113.60 1vle s ASN 645 Ca 0.62 -3.67 -0.07 0.00 0.21 0.00 0.00 52.86 49.95 1vle s ASN 645 Cb -0.15 -1.45 0.31 0.00 -0.55 0.00 0.00 41.25 39.40 1vle s ASN 645 CO 0.43 -0.11 1.81 -0.65 -2.79 0.00 0.00 177.10 175.79 1vle h PRO 646 N 5.53 0.74 -0.00 0.43 0.11 -1.95 -3.21 132.00 133.64 1vle h PRO 646 Ca 0.15 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 66.02 1vle h PRO 646 Cb 0.79 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 1vle h PRO 646 CO 0.66 0.49 -0.85 -0.91 -0.21 0.00 0.00 178.00 177.18 1vle h ASN 647 N 0.76 0.25 -1.94 -2.05 2.35 -2.03 -3.46 115.58 109.46 1vle h ASN 647 Ca 0.34 -0.20 -0.64 0.00 -0.55 0.00 0.00 56.30 55.25 1vle h ASN 647 Cb 0.24 -0.08 0.10 0.00 0.05 0.00 0.00 38.32 38.63 1vle h ASN 647 CO -0.20 0.99 0.02 -2.11 -1.65 0.00 0.00 177.43 174.48 1vle n ARG 648 N -3.68 0.95 -2.41 0.81 1.85 -1.21 -4.87 116.66 108.11 1vle n ARG 648 Ca -0.03 0.34 -0.36 0.00 -1.00 0.00 0.00 57.85 56.79 1vle n ARG 648 Cb 0.79 -1.67 -0.02 0.00 -1.05 0.00 0.00 32.46 30.51 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 -1.03 3.82 -0.12 2.89 -2.85 -1.26 -4.99 119.74 116.19 1vle s LYS 649 Ca 0.65 1.58 -0.23 0.00 -1.00 0.00 0.00 55.97 56.97 1vle s LYS 649 Cb -0.81 -2.31 -0.03 0.00 -2.06 0.00 0.00 37.83 32.61 1vle s LYS 649 CO 0.57 -0.45 0.71 0.15 0.10 0.00 0.00 175.35 176.42 1vle s LYS 650 N -2.85 4.35 -0.45 1.78 -0.14 -1.26 -5.02 119.74 116.14 1vle s LYS 650 Ca 0.64 0.84 0.04 0.00 -1.36 0.00 0.00 55.97 56.13 1vle s LYS 650 Cb -0.23 -3.51 0.12 0.00 -1.68 0.00 0.00 37.83 32.53 1vle s LYS 650 CO 0.28 -0.10 0.19 0.95 -0.76 0.00 0.00 175.35 175.91 1vle s THR 651 N 1.39 2.54 0.24 2.17 -4.23 -1.26 -5.09 115.64 111.41 1vle s THR 651 Ca 0.35 -2.92 -0.30 0.00 -1.18 0.00 0.00 61.69 57.64 1vle s THR 651 Cb -0.17 -2.80 -0.09 0.00 1.34 0.00 0.00 72.50 70.78 1vle s THR 651 CO 0.15 -0.73 1.34 -0.69 -0.54 0.00 0.00 174.62 174.15 1vle s VAL 652 N 0.19 2.95 -0.03 2.29 1.01 -1.26 -4.31 120.40 121.23 1vle s VAL 652 Ca 0.15 0.83 -0.39 0.00 0.00 0.00 0.00 61.98 62.56 1vle s VAL 652 Cb -0.23 -3.53 -0.18 0.00 0.00 0.00 0.00 36.38 32.44 1vle s VAL 652 CO -0.03 0.14 1.31 0.00 0.00 0.00 0.00 175.10 176.52 1vle n ALA 653 N 2.10 -1.91 -0.78 5.51 0.00 -0.36 -1.76 120.51 123.31 1vle n ALA 653 Ca 0.05 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1vle n ALA 653 Cb 0.42 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 2.58 0.94 -0.19 0.00 4.77 -1.26 -4.43 117.00 119.40 1vle n LEU 654 Ca 0.21 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.12 1vle n LEU 654 Cb 0.12 -1.93 0.07 0.00 -2.33 0.00 0.00 43.42 39.35 1vle n LEU 654 CO 0.66 -0.72 0.86 -0.09 -1.33 0.00 0.00 177.39 176.77 1vle h ARG 655 N 0.12 1.01 -0.97 3.23 2.43 -1.43 -0.23 114.38 118.54 1vle h ARG 655 Ca 0.00 -0.29 0.09 0.00 -0.81 0.00 0.00 59.98 58.97 1vle h ARG 655 Cb 0.51 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.88 1vle h ARG 655 CO 0.00 0.97 0.62 0.11 -1.51 0.00 0.00 179.97 180.17 1vle h TRP 656 N 0.94 1.12 -0.11 2.20 5.08 -1.88 -0.14 115.95 123.16 1vle h TRP 656 Ca 0.18 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 60.14 1vle h TRP 656 Cb 0.50 -0.36 -0.00 0.00 -3.00 0.00 0.00 29.16 26.29 1vle h TRP 656 CO 0.03 0.52 -0.06 0.35 -1.28 0.00 0.00 178.44 178.01 1vle h PHE 657 N 1.04 0.27 -0.67 0.12 3.57 -1.61 -0.61 116.94 119.05 1vle h PHE 657 Ca 0.44 -0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.97 1vle h PHE 657 Cb 0.32 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 1vle h PHE 657 CO -0.00 0.59 0.45 0.00 -2.23 0.00 0.00 178.31 177.11 1vle h ALA 658 N 0.64 1.88 -0.60 2.41 0.00 -0.22 -1.16 119.26 122.20 1vle h ALA 658 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1vle h ALA 658 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1vle h ALA 658 CO 0.02 -0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.64 1vle n GLU 659 N -4.48 2.43 -3.73 0.00 1.02 -0.15 -4.97 120.64 110.76 1vle n GLU 659 Ca 0.11 -2.23 -0.24 0.00 -0.02 0.00 0.00 57.16 54.79 1vle n GLU 659 Cb 0.32 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.30 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 1.49 -0.38 2.89 0.62 0.00 -0.44 -5.01 105.19 104.37 1vle n GLY 660 Ca 0.21 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.44 0.68 -1.89 1.61 1.85 -0.29 -4.99 116.66 109.19 1vle n ARG 661 Ca -0.17 -2.97 -0.39 0.00 -1.00 0.00 0.00 57.85 53.32 1vle n ARG 661 Cb 0.62 1.48 0.02 0.00 -1.05 0.00 0.00 32.46 33.53 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 -3.36 3.59 0.18 2.89 8.01 -1.26 -4.44 118.70 124.32 1vle s GLU 662 Ca 0.15 2.26 -0.32 0.00 0.01 0.00 0.00 54.97 57.07 1vle s GLU 662 Cb 0.01 -2.54 -0.11 0.00 -4.31 0.00 0.00 34.13 27.17 1vle s GLU 662 CO 0.11 -0.83 1.66 0.21 0.01 0.00 0.00 175.26 176.41 1vle s LYS 663 N -2.56 4.16 0.00 1.61 2.36 -0.83 -4.81 119.74 119.67 1vle s LYS 663 Ca 0.63 2.50 0.00 0.00 -2.55 0.00 0.00 55.97 56.55 1vle s LYS 663 Cb -0.40 -3.14 0.00 0.00 -1.05 0.00 0.00 37.83 33.24 1vle s LYS 663 CO 0.50 -0.69 0.71 -0.40 1.55 0.00 0.00 175.35 177.02 1vle n ASP 664 N 4.07 1.20 -4.80 1.43 5.75 -1.26 -5.07 116.55 117.87 1vle n ASP 664 Ca 0.15 -1.51 -0.24 0.00 -0.01 0.00 0.00 54.79 53.18 1vle n ASP 664 Cb 0.37 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.54 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 -0.51 2.33 -2.01 2.12 -4.23 -1.26 -4.91 115.64 107.17 1vle s THR 665 Ca 0.00 -0.47 0.21 0.00 -1.18 0.00 0.00 61.69 60.25 1vle s THR 665 Cb 0.00 -2.85 0.60 0.00 1.34 0.00 0.00 72.50 71.59 1vle s THR 665 CO 0.00 0.00 1.81 -2.65 -0.54 0.00 0.00 174.62 173.24 1vle n PRO 666 N -2.79 1.03 -1.59 3.99 -0.02 -1.26 -4.93 135.00 129.44 1vle n PRO 666 Ca 0.11 -0.04 -0.39 0.00 -2.02 0.00 0.00 63.50 61.16 1vle n PRO 666 Cb 0.60 -1.34 0.04 0.00 -0.02 0.00 0.00 33.50 32.78 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 -0.79 0.57 -0.01 2.55 2.03 -1.26 -4.84 116.55 114.81 1vle n ASP 667 Ca 0.16 0.86 0.00 0.00 0.52 0.00 0.00 54.79 56.33 1vle n ASP 667 Cb 0.08 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.15 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 -1.36 0.00 -3.84 -0.67 7.02 -1.26 -4.84 117.44 112.49 1vle n TRP 668 Ca 0.12 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.56 1vle n TRP 668 Cb 0.45 -0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.35 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 -1.15 0.03 0.74 6.99 0.00 -1.26 -4.66 107.32 108.01 1vle s GLY 669 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.39 1vle s GLY 669 CO 0.00 1.53 1.08 2.56 0.00 0.00 0.00 173.10 178.27 1vle s PRO 670 N -2.48 2.48 0.37 2.90 0.04 -1.26 -5.05 135.00 131.99 1vle s PRO 670 Ca 0.19 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.10 1vle s PRO 670 Cb -0.02 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 1vle s PRO 670 CO 0.05 -1.47 1.13 1.03 0.04 0.00 0.00 177.00 177.78 1vle s ARG 671 N -4.87 4.22 0.37 4.56 0.52 -1.26 -4.91 118.95 117.58 1vle s ARG 671 Ca 0.61 1.77 0.18 0.00 -0.52 0.00 0.00 55.73 57.76 1vle s ARG 671 Cb -0.17 -2.77 1.13 0.00 0.52 0.00 0.00 34.95 33.66 1vle s ARG 671 CO 0.55 -0.15 1.70 -0.07 0.02 0.00 0.00 175.30 177.34 1vle h LEU 672 N 2.90 0.46 -0.73 2.53 3.38 -1.98 0.33 115.31 122.20 1vle h LEU 672 Ca -0.48 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1vle h LEU 672 Cb 1.22 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1vle h LEU 672 CO 0.64 -0.04 0.00 -0.55 0.09 0.00 0.00 178.44 178.57 1vle h ASN 673 N 0.33 0.00 -0.49 -0.43 7.08 -2.03 -2.77 115.58 117.27 1vle h ASN 673 Ca 0.70 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.92 1vle h ASN 673 Cb 1.74 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.98 1vle h ASN 673 CO -0.46 0.00 0.00 0.59 -2.08 0.00 0.00 177.43 175.48 1vle n ASN 674 N -2.43 3.64 -4.06 6.14 5.03 0.12 -4.91 115.26 118.79 1vle n ASN 674 Ca 0.02 -2.32 -0.07 0.00 0.87 0.00 0.00 54.58 53.08 1vle n ASN 674 Cb 0.28 -0.49 -0.10 0.00 -1.02 0.00 0.00 39.78 38.45 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 -1.75 0.65 -0.32 3.52 -0.21 -1.05 -4.31 119.66 116.20 1vle s GLN 675 Ca 0.38 -1.19 -0.09 0.00 0.02 0.00 0.00 55.36 54.48 1vle s GLN 675 Cb 0.24 0.23 0.01 0.00 1.00 0.00 0.00 33.01 34.49 1vle s GLN 675 CO 0.19 -0.14 0.15 0.08 -2.12 0.00 0.00 175.29 173.45 1vle s VAL 676 N -3.92 4.42 -1.48 1.09 1.01 -1.25 -4.42 120.40 115.86 1vle s VAL 676 Ca 0.07 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1vle s VAL 676 Cb 0.08 -3.31 0.06 0.00 0.00 0.00 0.00 36.38 33.20 1vle s VAL 676 CO -0.10 -0.00 1.00 0.00 0.00 0.00 0.00 175.10 176.00 1vle n ARG 678 N -4.70 -2.43 -4.31 0.00 1.85 -1.26 -4.80 116.66 101.01 1vle n ARG 678 Ca 0.02 0.30 -0.23 0.00 -1.00 0.00 0.00 57.85 56.94 1vle n ARG 678 Cb 0.54 -4.75 -0.12 0.00 -1.05 0.00 0.00 32.46 27.08 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 -6.99 1.20 0.00 2.89 1.02 -1.03 -1.97 119.74 114.86 1vle s LYS 679 Ca 0.56 -1.26 0.00 0.00 0.02 0.00 0.00 55.97 55.28 1vle s LYS 679 Cb -0.31 -1.40 0.00 0.00 -0.52 0.00 0.00 37.83 35.60 1vle s LYS 679 CO 0.95 0.31 0.00 0.41 -0.92 0.00 0.00 175.35 176.10 1vle n GLY 680 N 0.78 -1.40 3.81 -3.33 0.00 -1.26 -3.80 105.19 99.99 1vle n GLY 680 Ca -0.17 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.93 2.18 0.62 0.99 1.43 -0.17 -4.90 118.68 114.90 1vle s LEU 681 Ca 0.00 0.98 0.38 0.00 -1.03 0.00 0.00 54.13 54.46 1vle s LEU 681 Cb 0.00 -3.37 2.02 0.00 0.03 0.00 0.00 46.19 44.86 1vle s LEU 681 CO 0.00 -2.35 2.24 -0.61 0.23 0.00 0.00 176.35 175.86 1vle h GLN 682 N -1.36 0.00 -7.16 1.70 4.15 -1.76 -3.37 115.11 107.31 1vle h GLN 682 Ca -0.49 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.40 1vle h GLN 682 Cb 1.32 0.00 0.20 0.00 0.21 0.00 0.00 27.48 29.21 1vle h GLN 682 CO 0.62 0.02 0.11 0.25 -1.93 0.00 0.00 178.83 177.90 1vle n THR 683 N -3.25 0.56 -0.06 2.39 -2.24 -1.26 -4.82 114.28 105.60 1vle n THR 683 Ca -0.02 -0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1vle n THR 683 Cb 0.14 -0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 67.37 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 -1.56 0.30 0.00 4.28 2.02 -1.90 -1.38 112.91 114.67 1vle h THR 684 Ca -0.44 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 1vle h THR 684 Cb 1.28 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1vle h THR 684 CO 0.41 0.00 -0.16 0.71 0.37 0.00 0.00 175.52 176.85 1vle h THR 685 N -0.29 0.37 0.00 3.16 1.35 -1.91 -3.46 112.91 112.13 1vle h THR 685 Ca 0.14 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1vle h THR 685 Cb 0.51 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1vle h THR 685 CO -0.44 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 175.60 1vle n GLY 686 N 0.27 0.79 3.78 5.82 0.00 -0.52 -4.94 105.19 110.38 1vle n GLY 686 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.36 2.22 -0.28 1.61 1.02 -1.26 -1.00 119.74 121.69 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 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 1vle s LYS 687 CO 0.00 -0.29 1.27 0.08 -0.92 0.00 0.00 175.35 175.50 1vle s VAL 688 N -2.70 4.19 -0.58 3.17 1.01 0.11 -4.76 120.40 120.85 1vle s VAL 688 Ca 0.33 1.36 -0.18 0.00 0.00 0.00 0.00 61.98 63.48 1vle s VAL 688 Cb 0.02 -4.16 0.10 0.00 0.00 0.00 0.00 36.38 32.34 1vle s VAL 688 CO 0.18 -0.43 0.66 -1.61 0.00 0.00 0.00 175.10 173.91 1vle s GLU 689 N 4.04 3.04 0.53 2.72 2.02 0.49 -0.53 118.70 131.00 1vle s GLU 689 Ca 0.55 -1.34 0.30 0.00 0.02 0.00 0.00 54.97 54.50 1vle s GLU 689 Cb -0.17 -4.25 1.43 0.00 0.10 0.00 0.00 34.13 31.23 1vle s GLU 689 CO 0.21 -1.48 2.04 0.74 0.02 0.00 0.00 175.26 176.79 1vle h PHE 690 N 9.12 0.00 -3.61 1.61 -1.00 -1.35 -3.20 116.94 118.51 1vle h PHE 690 Ca -0.29 0.00 -0.65 0.00 2.81 0.00 0.00 57.97 59.84 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 0.81 0.11 -0.73 0.42 -1.61 0.00 0.00 178.31 177.31 1vle s ILE 691 N -3.98 2.07 -0.04 -0.55 1.01 -1.24 -1.99 121.20 116.48 1vle s ILE 691 Ca -0.02 -2.20 -0.30 0.00 0.00 0.00 0.00 60.65 58.13 1vle s ILE 691 Cb 0.12 -2.53 -0.06 0.00 0.01 0.00 0.00 42.46 40.00 1vle s ILE 691 CO 0.57 -0.61 1.57 0.00 0.00 0.00 0.00 174.94 176.47 1vle s ALA 692 N 1.01 3.63 0.30 9.38 0.00 0.08 -4.85 121.76 131.30 1vle s ALA 692 Ca 0.11 0.92 0.02 0.00 0.00 0.00 0.00 51.96 53.00 1vle s ALA 692 Cb -0.19 -3.70 0.46 0.00 0.00 0.00 0.00 23.12 19.69 1vle s ALA 692 CO -0.11 -1.25 1.80 1.79 0.00 0.00 0.00 175.76 177.99 1vle h THR 693 N 5.34 1.23 0.11 0.00 1.35 -1.90 -0.80 112.91 118.24 1vle h THR 693 Ca -0.38 -0.97 -0.01 0.00 -0.55 0.00 0.00 66.41 64.51 1vle h THR 693 Cb 1.17 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1vle h THR 693 CO 0.94 0.33 -0.05 0.77 -0.25 0.00 0.00 175.52 177.26 1vle h SER 694 N 0.58 -0.12 0.28 5.36 4.64 -1.90 0.23 113.55 122.62 1vle h SER 694 Ca 0.11 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.34 1vle h SER 694 Cb 0.44 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1vle h SER 694 CO 0.02 -0.08 -0.40 -0.07 -0.87 0.00 0.00 176.83 175.42 1vle h LEU 695 N -0.14 0.17 -0.88 5.97 3.38 -1.87 -1.71 115.31 120.23 1vle h LEU 695 Ca -0.01 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1vle h LEU 695 Cb 0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1vle h LEU 695 CO 0.02 0.56 -0.02 0.50 0.09 0.00 0.00 178.44 179.59 1vle h LYS 696 N 0.14 0.81 -0.31 1.13 3.64 -0.73 -0.03 116.57 121.22 1vle h LYS 696 Ca 0.01 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.11 1vle h LYS 696 Cb 0.78 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1vle h LYS 696 CO 0.06 0.83 0.01 -0.91 -2.27 0.00 0.00 179.45 177.16 1vle h ASN 697 N 0.75 0.53 -0.12 4.20 -0.26 -0.56 -2.33 115.58 117.79 1vle h ASN 697 Ca 0.14 -0.30 0.04 0.00 -0.56 0.00 0.00 56.30 55.62 1vle h ASN 697 Cb 0.49 -0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 37.56 1vle h ASN 697 CO 0.02 0.70 -0.12 0.15 -1.06 0.00 0.00 177.43 177.13 1vle h PHE 698 N 0.34 -0.29 0.00 1.19 3.57 -0.82 -1.13 116.94 119.80 1vle h PHE 698 Ca 0.09 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1vle h PHE 698 Cb 0.43 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1vle h PHE 698 CO 0.03 -0.18 -0.35 1.05 -2.23 0.00 0.00 178.31 176.64 1vle h GLU 699 N -0.14 0.00 0.00 1.11 4.11 -0.99 -2.01 114.58 116.65 1vle h GLU 699 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1vle h GLU 699 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1vle h GLU 699 CO -0.21 0.35 0.00 0.39 0.07 0.00 0.00 179.01 179.61 1vle n GLU 700 N -4.02 0.21 -0.00 1.06 1.02 -0.88 -2.24 120.64 115.78 1vle n GLU 700 Ca -0.02 0.18 0.14 0.00 -0.02 0.00 0.00 57.16 57.45 1vle n GLU 700 Cb 0.40 -1.75 0.67 0.00 -0.02 0.00 0.00 31.44 30.74 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 -2.11 1.42 0.00 3.49 6.02 -0.47 -4.90 117.38 120.83 1vle n GLN 701 Ca 0.06 -0.62 0.00 0.00 -0.01 0.00 0.00 57.00 56.43 1vle n GLN 701 Cb 0.41 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.19 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 1.11 0.54 3.29 1.08 0.00 -0.95 -5.03 105.19 105.23 1vle n GLY 702 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.72 4.43 -2.41 1.61 4.02 -0.97 -4.99 117.16 117.12 1vle n TYR 703 Ca 0.00 -3.29 -0.42 0.00 -0.01 0.00 0.00 57.90 54.18 1vle n TYR 703 Cb 0.00 -1.99 -0.03 0.00 -0.02 0.00 0.00 39.34 37.30 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 0.50 4.03 -0.32 -0.72 -1.09 -1.26 -4.14 121.20 118.20 1vle s ILE 704 Ca 0.39 1.45 0.01 0.00 -2.23 0.00 0.00 60.65 60.27 1vle s ILE 704 Cb -0.01 -3.93 0.15 0.00 -1.58 0.00 0.00 42.46 37.09 1vle s ILE 704 CO -0.00 0.09 0.34 -0.62 -1.23 0.00 0.00 174.94 173.52 1vle s ASP 705 N 1.17 1.32 0.47 3.58 2.15 -1.26 -4.99 116.67 119.11 1vle s ASP 705 Ca 0.59 -1.05 0.18 0.00 0.43 0.00 0.00 52.55 52.70 1vle s ASP 705 Cb -0.29 0.60 1.17 0.00 -0.30 0.00 0.00 42.92 44.10 1vle s ASP 705 CO 0.28 -0.33 1.99 -0.08 -0.17 0.00 0.00 175.17 176.86 1vle h GLU 706 N 7.76 0.24 -0.69 4.34 4.81 -2.02 -2.05 114.58 126.97 1vle h GLU 706 Ca -0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1vle h GLU 706 Cb 1.07 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1vle h GLU 706 CO 0.27 0.16 0.00 0.72 -0.73 0.00 0.00 179.01 179.43 1vle n HIS 707 N -4.45 0.74 -2.82 0.92 8.25 -1.26 -4.09 115.22 112.52 1vle n HIS 707 Ca 0.09 -0.27 -0.11 0.00 -0.26 0.00 0.00 57.72 57.17 1vle n HIS 707 Cb 0.44 -0.20 0.05 0.00 1.12 0.00 0.00 29.99 31.40 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 0.29 0.90 -1.82 -0.41 0.63 -0.77 -4.74 116.66 110.74 1vle n ARG 708 Ca 0.11 -2.09 -0.34 0.00 -0.92 0.00 0.00 57.85 54.61 1vle n ARG 708 Cb 0.54 -1.28 0.05 0.00 0.45 0.00 0.00 32.46 32.22 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 0.07 2.79 0.45 -0.14 0.04 -1.24 -4.82 135.00 132.14 1vle s PRO 709 Ca 0.29 1.57 0.13 0.00 0.04 0.00 0.00 61.00 63.02 1vle s PRO 709 Cb 0.26 -1.93 1.01 0.00 0.04 0.00 0.00 34.50 33.87 1vle s PRO 709 CO -0.14 -1.29 2.02 0.66 0.04 0.00 0.00 177.00 178.30 1vle h SER 710 N 0.30 0.11 -3.15 6.66 4.64 -1.89 -3.41 113.55 116.81 1vle h SER 710 Ca -0.48 -0.01 -0.62 0.00 -0.47 0.00 0.00 61.79 60.21 1vle h SER 710 Cb 1.27 -0.03 -0.12 0.00 -0.31 0.00 0.00 62.40 63.21 1vle h SER 710 CO 0.54 0.20 -0.50 -0.32 -0.87 0.00 0.00 176.83 175.87 1vle s MET 711 N -4.88 3.97 -0.18 4.77 -2.45 -1.26 -0.74 119.30 118.53 1vle s MET 711 Ca -0.05 -0.23 -0.29 0.00 -1.25 0.00 0.00 55.69 53.87 1vle s MET 711 Cb 0.16 -3.32 -0.05 0.00 1.25 0.00 0.00 34.83 32.87 1vle s MET 711 CO 0.70 0.40 2.00 -1.58 1.05 0.00 0.00 175.02 177.60 1vle s HIS 712 N 0.04 1.44 0.31 4.11 2.46 -0.84 -4.94 115.29 117.87 1vle s HIS 712 Ca 0.09 0.33 0.04 0.00 0.47 0.00 0.00 55.06 55.99 1vle s HIS 712 Cb -0.11 -4.03 -0.03 0.00 -0.13 0.00 0.00 32.58 28.27 1vle s HIS 712 CO -0.00 -4.07 0.18 0.95 -2.47 0.00 0.00 174.74 169.33 1vle s THR 713 N 6.74 0.24 -1.17 0.89 -4.23 -1.26 -5.04 115.64 111.82 1vle s THR 713 Ca 0.90 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 59.24 1vle s THR 713 Cb -0.32 -2.49 0.12 0.00 1.34 0.00 0.00 72.50 71.14 1vle s THR 713 CO 0.35 0.00 1.48 -0.47 -0.54 0.00 0.00 174.62 175.45 1vle s TYR 714 N -3.58 3.08 -0.39 3.99 5.04 -1.26 -4.91 117.35 119.33 1vle s TYR 714 Ca 0.36 -1.68 -0.26 0.00 -2.44 0.00 0.00 57.07 53.05 1vle s TYR 714 Cb 0.04 -4.50 0.02 0.00 0.35 0.00 0.00 41.96 37.87 1vle s TYR 714 CO 0.19 -1.61 0.92 0.08 -1.34 0.00 0.00 175.55 173.79 1vle s VAL 715 N 3.05 4.56 0.27 3.14 1.01 -1.26 -4.99 120.40 126.18 1vle s VAL 715 Ca 0.45 1.11 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 1vle s VAL 715 Cb -0.01 -4.35 -0.13 0.00 0.00 0.00 0.00 36.38 31.89 1vle s VAL 715 CO -0.00 -0.59 1.39 -2.65 0.00 0.00 0.00 175.10 173.24 1vle n PRO 716 N 6.85 2.09 -1.85 2.72 -0.02 -1.26 -4.87 135.00 138.66 1vle n PRO 716 Ca 0.07 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 1vle n PRO 716 Cb 0.48 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1vle n PRO 716 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vle s ALA 717 N -0.30 3.71 0.56 3.55 0.00 -1.26 -4.88 121.76 123.14 1vle s ALA 717 Ca 0.65 1.29 0.36 0.00 0.00 0.00 0.00 51.96 54.26 1vle s ALA 717 Cb -0.62 -3.72 2.00 0.00 0.00 0.00 0.00 23.12 20.78 1vle s ALA 717 CO 0.52 -1.15 2.26 0.11 0.00 0.00 0.00 175.76 177.51 1vle h TRP 718 N 8.43 0.00 -2.76 0.00 5.08 -1.90 -3.14 115.95 121.67 1vle h TRP 718 Ca -0.44 0.00 -0.61 0.00 1.08 0.00 0.00 58.89 58.92 1vle h TRP 718 Cb 1.21 0.00 -0.42 0.00 -3.00 0.00 0.00 29.16 26.95 1vle h TRP 718 CO 0.78 0.02 -0.62 -1.91 -1.28 0.00 0.00 178.44 175.43 1vle n GLU 719 N -3.44 1.87 -4.27 0.12 2.13 -1.26 -4.42 120.64 111.37 1vle n GLU 719 Ca -0.03 -4.41 -0.15 0.00 0.66 0.00 0.00 57.16 53.24 1vle n GLU 719 Cb 0.12 -2.20 -0.10 0.00 0.27 0.00 0.00 31.44 29.52 1vle n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1vle s SER 720 N -1.62 1.53 0.35 4.31 1.04 -1.19 -4.39 113.70 113.72 1vle s SER 720 Ca 0.30 -1.15 0.07 0.00 0.48 0.00 0.00 55.95 55.65 1vle s SER 720 Cb 0.02 0.06 0.64 0.00 0.10 0.00 0.00 66.02 66.84 1vle s SER 720 CO -0.13 -0.50 1.84 1.56 0.98 0.00 0.00 173.24 176.99 1vle h GLN 721 N 2.64 0.31 -0.02 4.02 4.20 -1.91 -2.68 115.11 121.67 1vle h GLN 721 Ca -0.37 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1vle h GLN 721 Cb 1.21 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1vle h GLN 721 CO 0.63 0.49 -0.29 0.36 -0.67 0.00 0.00 178.83 179.36 1vle n LYS 722 N -4.20 1.57 0.00 1.46 2.85 -1.26 -4.51 118.16 114.06 1vle n LYS 722 Ca -0.01 -1.06 0.02 0.00 -1.05 0.00 0.00 58.31 56.21 1vle n LYS 722 Cb 0.33 -1.35 0.01 0.00 -0.65 0.00 0.00 35.03 33.37 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 0.19 0.00 -5.12 5.58 8.25 -1.21 -5.00 115.22 117.92 1vle n HIS 723 Ca 0.08 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.22 1vle n HIS 723 Cb 0.41 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.36 3.32 0.60 0.41 0.15 -1.02 -4.85 113.70 111.95 1vle s SER 724 Ca 0.04 -0.49 0.30 0.00 0.70 0.00 0.00 55.95 56.51 1vle s SER 724 Cb 0.03 -1.35 1.75 0.00 -1.71 0.00 0.00 66.02 64.74 1vle s SER 724 CO 0.05 0.18 2.14 -0.65 1.20 0.00 0.00 173.24 176.16 1vle h PRO 725 N 6.56 0.00 -0.33 5.44 0.11 -1.89 -1.24 132.00 140.65 1vle h PRO 725 Ca -0.23 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.90 1vle h PRO 725 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1vle h PRO 725 CO 0.49 0.00 0.22 -0.07 -0.21 0.00 0.00 178.00 178.43 1vle h LEU 726 N 0.00 0.30 -1.81 2.35 4.07 -1.93 -2.75 115.31 115.53 1vle h LEU 726 Ca 0.06 -0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.12 1vle h LEU 726 Cb 0.39 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1vle h LEU 726 CO -0.00 0.21 0.52 0.00 -1.08 0.00 0.00 178.44 178.09 1vle h ALA 727 N 1.81 2.02 0.14 1.53 0.00 -1.35 -0.30 119.26 123.11 1vle h ALA 727 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1vle h ALA 727 Cb 0.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1vle h ALA 727 CO -0.03 -0.71 -0.07 0.28 0.00 0.00 0.00 179.25 178.73 1vle h VAL 728 N 0.00 0.90 0.04 0.00 2.07 -1.70 -1.91 116.25 115.63 1vle h VAL 728 Ca 0.17 -0.11 -0.26 0.00 0.82 0.00 0.00 66.70 67.32 1vle h VAL 728 Cb 1.21 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1vle h VAL 728 CO -0.00 0.03 -1.34 0.11 0.02 0.00 0.00 177.57 176.39 1vle h LYS 729 N -0.23 0.08 -2.98 1.57 1.57 -1.56 -3.40 116.57 111.61 1vle h LYS 729 Ca -0.02 -0.13 -0.62 0.00 -1.87 0.00 0.00 60.65 58.02 1vle h LYS 729 Cb 0.18 0.05 -0.41 0.00 0.08 0.00 0.00 32.23 32.13 1vle h LYS 729 CO 0.03 0.90 -0.67 0.71 -0.57 0.00 0.00 179.45 179.86 1vle s TYR 730 N -2.65 2.94 -0.39 -1.35 2.02 -0.21 -4.64 117.35 113.07 1vle s TYR 730 Ca -0.03 -3.06 0.27 0.00 -0.37 0.00 0.00 57.07 53.88 1vle s TYR 730 Cb 0.09 -2.32 0.89 0.00 -0.40 0.00 0.00 41.96 40.21 1vle s TYR 730 CO 0.83 -0.64 1.77 -1.00 -1.57 0.00 0.00 175.55 174.95 1vle h PRO 731 N 5.69 0.00 -6.08 -1.71 0.13 -1.38 -3.35 132.00 125.30 1vle h PRO 731 Ca 0.13 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.70 1vle h PRO 731 Cb 0.81 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.89 1vle h PRO 731 CO 0.63 0.00 0.12 -0.51 -0.23 0.00 0.00 178.00 178.02 1vle s LEU 732 N -5.33 4.32 -0.25 1.56 1.43 -0.71 -4.93 118.68 114.77 1vle s LEU 732 Ca 0.06 1.25 -0.19 0.00 -1.03 0.00 0.00 54.13 54.21 1vle s LEU 732 Cb 0.09 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 1vle s LEU 732 CO 0.55 -0.14 0.59 -0.83 0.23 0.00 0.00 176.35 176.75 1vle s GLY 733 N 0.83 1.84 -0.11 -3.19 0.00 -0.43 -1.25 107.32 105.01 1vle s GLY 733 Ca 0.39 -0.48 -0.01 0.00 0.00 0.00 0.00 44.72 44.63 1vle s GLY 733 CO 0.19 1.35 -0.07 -0.29 0.00 0.00 0.00 173.10 174.29 1vle s MET 734 N 2.37 3.19 0.00 2.90 1.75 0.12 -0.81 119.30 128.82 1vle s MET 734 Ca 0.25 -0.57 0.08 0.00 -1.25 0.00 0.00 55.69 54.20 1vle s MET 734 Cb -0.16 -2.71 -0.02 0.00 2.84 0.00 0.00 34.83 34.78 1vle s MET 734 CO 0.09 0.43 -0.25 -0.48 -0.65 0.00 0.00 175.02 174.16 1vle s LEU 735 N -0.18 2.09 -0.48 4.11 2.34 -1.12 -2.23 118.68 123.21 1vle s LEU 735 Ca 0.02 -0.50 0.06 0.00 0.06 0.00 0.00 54.13 53.78 1vle s LEU 735 Cb -0.13 -1.28 0.21 0.00 -0.56 0.00 0.00 46.19 44.43 1vle s LEU 735 CO 0.03 0.29 0.50 -1.54 -1.06 0.00 0.00 176.35 174.57 1vle n SER 736 N 2.25 0.94 -2.92 1.48 3.41 -1.26 -2.83 113.62 114.69 1vle n SER 736 Ca -0.16 -2.79 -0.05 0.00 -0.26 0.00 0.00 58.87 55.61 1vle n SER 736 Cb 0.52 -0.63 0.05 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.83 -2.13 -2.64 4.33 -0.02 -1.26 -3.71 135.00 131.40 1vle n PRO 737 Ca 0.25 -0.26 -0.39 0.00 -2.02 0.00 0.00 63.50 61.08 1vle n PRO 737 Cb 0.47 -0.30 -0.05 0.00 -0.02 0.00 0.00 33.50 33.59 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 -1.23 3.75 0.10 6.00 3.76 -1.26 -1.31 115.29 125.10 1vle s HIS 738 Ca 0.11 1.80 -0.34 0.00 -0.15 0.00 0.00 55.06 56.48 1vle s HIS 738 Cb -0.02 -3.09 -0.14 0.00 1.11 0.00 0.00 32.58 30.44 1vle s HIS 738 CO 0.09 -0.02 1.61 -0.35 -0.85 0.00 0.00 174.74 175.22 1vle n PRO 739 N 1.13 2.04 -0.22 8.40 -0.04 -1.26 -4.85 135.00 140.20 1vle n PRO 739 Ca -0.01 0.74 -0.07 0.00 -0.04 0.00 0.00 63.50 64.12 1vle n PRO 739 Cb 0.47 -2.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.46 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 6.36 0.91 -0.62 0.54 9.65 -1.93 -3.22 114.38 126.06 1vle h ARG 740 Ca -0.46 -0.16 -0.29 0.00 -1.10 0.00 0.00 59.98 57.97 1vle h ARG 740 Cb 1.27 -0.15 -0.17 0.00 -1.39 0.00 0.00 29.97 29.53 1vle h ARG 740 CO 0.89 0.77 0.23 1.19 2.80 0.00 0.00 179.97 185.85 1vle n PHE 741 N -4.46 1.95 -3.58 2.20 3.01 -1.26 -4.85 117.46 110.48 1vle n PHE 741 Ca 0.04 -1.57 -0.16 0.00 1.01 0.00 0.00 57.45 56.77 1vle n PHE 741 Cb 0.16 -0.66 -0.07 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 -1.85 -0.70 -1.00 4.37 0.15 -1.22 -4.22 113.70 109.24 1vle s SER 742 Ca 0.50 1.13 -0.20 0.00 0.70 0.00 0.00 55.95 58.08 1vle s SER 742 Cb 0.43 1.06 0.10 0.00 -1.71 0.00 0.00 66.02 65.90 1vle s SER 742 CO 0.06 -0.40 1.29 -0.32 1.20 0.00 0.00 173.24 175.08 1vle s MET 743 N -0.29 3.64 6.31 5.44 1.75 -1.11 -4.44 119.30 130.62 1vle s MET 743 Ca -0.04 -1.58 0.00 0.00 -1.25 0.00 0.00 55.69 52.81 1vle s MET 743 Cb -0.03 -5.12 0.00 0.00 2.84 0.00 0.00 34.83 32.52 1vle s MET 743 CO 0.05 -1.96 0.00 0.72 -0.65 0.00 0.00 175.02 173.18 1vle n HIS 744 N 7.44 0.00 0.44 4.11 8.25 -1.26 -0.98 115.22 133.23 1vle n HIS 744 Ca 0.29 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.88 1vle n HIS 744 Cb 0.49 0.00 0.36 0.00 1.12 0.00 0.00 29.99 31.96 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 0.00 -0.90 1.59 1.35 -1.88 -3.41 112.91 109.66 1vle h THR 745 Ca 0.00 -0.62 -0.69 0.00 -0.55 0.00 0.00 66.41 64.55 1vle h THR 745 Cb 0.00 1.59 -0.09 0.00 -1.73 0.00 0.00 68.15 67.92 1vle h THR 745 CO 0.00 0.00 2.24 0.23 -0.25 0.00 0.00 175.52 177.74 1vle n MET 746 N -2.59 3.18 0.00 4.72 2.81 -0.15 -3.21 117.12 121.88 1vle n MET 746 Ca 0.04 -3.26 0.00 0.00 -1.81 0.00 0.00 57.70 52.68 1vle n MET 746 Cb 0.43 -3.40 0.00 0.00 -0.71 0.00 0.00 33.22 29.54 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 4.98 1.29 3.77 3.03 0.00 -1.26 -2.74 105.19 114.27 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 4.36 0.55 1.61 2.15 -1.20 -4.67 116.67 119.47 1vle s ASP 748 Ca 0.00 1.56 0.00 0.00 0.43 0.00 0.00 52.55 54.54 1vle s ASP 748 Cb 0.00 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 1vle s ASP 748 CO 0.00 -2.09 0.00 0.61 -0.17 0.00 0.00 175.17 173.52 1vle n GLY 749 N -1.56 1.25 2.96 2.66 0.00 -1.26 -4.78 105.19 104.47 1vle n GLY 749 Ca 0.08 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 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 3.32 -1.97 -2.45 1.61 5.02 -1.26 -1.41 118.16 121.02 1vle n LYS 750 Ca 0.00 0.53 -0.21 0.00 -2.02 0.00 0.00 58.31 56.61 1vle n LYS 750 Cb 0.00 -4.99 -0.01 0.00 -0.02 0.00 0.00 35.03 30.01 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 -0.95 -5.93 -4.77 4.39 5.15 -1.26 -4.29 115.26 107.59 1vle n ASN 751 Ca -0.01 -0.03 -0.29 0.00 -0.60 0.00 0.00 54.58 53.65 1vle n ASN 751 Cb 0.50 -4.93 0.14 0.00 -0.53 0.00 0.00 39.78 34.96 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 -2.10 3.45 0.36 1.20 1.04 -0.50 -4.93 113.70 112.23 1vle s SER 752 Ca 0.02 1.03 0.16 0.00 0.48 0.00 0.00 55.95 57.64 1vle s SER 752 Cb -0.01 -1.64 0.68 0.00 0.10 0.00 0.00 66.02 65.15 1vle s SER 752 CO 0.03 -2.60 1.76 1.88 0.98 0.00 0.00 173.24 175.29 1vle h TYR 753 N -1.53 0.00 -0.20 5.02 0.05 -1.87 -3.03 116.97 115.41 1vle h TYR 753 Ca -0.51 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.33 1vle h TYR 753 Cb 1.33 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.06 1vle h TYR 753 CO 0.31 0.41 0.19 0.52 -1.05 0.00 0.00 178.16 178.55 1vle h MET 754 N 0.00 0.00 0.00 4.88 2.86 -1.87 -0.86 114.93 119.94 1vle h MET 754 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1vle h MET 754 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1vle h MET 754 CO 0.05 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.11 1vle n ASN 755 N -3.96 0.67 -0.63 1.22 3.02 -1.14 -1.84 115.26 112.60 1vle n ASN 755 Ca 0.02 0.70 0.13 0.00 -0.03 0.00 0.00 54.58 55.40 1vle n ASN 755 Cb 0.33 -0.83 0.39 0.00 -0.61 0.00 0.00 39.78 39.06 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 -2.28 0.09 -2.36 3.10 4.02 -0.33 -4.41 117.16 115.00 1vle n TYR 756 Ca 0.01 -0.05 -0.42 0.00 -0.01 0.00 0.00 57.90 57.43 1vle n TYR 756 Cb 0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.47 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 -1.91 3.93 0.24 -0.72 1.01 -0.77 -4.93 121.20 118.06 1vle s ILE 757 Ca 0.35 1.36 -0.07 0.00 0.00 0.00 0.00 60.65 62.29 1vle s ILE 757 Cb 0.20 -3.87 0.23 0.00 0.01 0.00 0.00 42.46 39.03 1vle s ILE 757 CO 0.31 0.07 1.68 0.11 0.00 0.00 0.00 174.94 177.10 1vle h LYS 758 N 7.11 0.21 -0.94 2.79 1.57 -1.90 -1.57 116.57 123.84 1vle h LYS 758 Ca -0.40 -0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.07 1vle h LYS 758 Cb 1.20 -0.05 -0.18 0.00 0.08 0.00 0.00 32.23 33.28 1vle h LYS 758 CO 0.85 0.14 0.38 -3.47 -0.57 0.00 0.00 179.45 176.78 1vle n ASP 759 N -5.20 3.70 0.03 0.86 2.03 -1.26 -4.32 116.55 112.38 1vle n ASP 759 Ca 0.13 -3.06 -0.02 0.00 0.52 0.00 0.00 54.79 52.36 1vle n ASP 759 Cb 0.43 -0.72 -0.01 0.00 -0.72 0.00 0.00 41.12 40.10 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 -0.47 0.00 -3.99 -0.67 -0.00 -0.60 -4.93 115.22 104.56 1vle n HIS 760 Ca 0.39 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.47 1vle n HIS 760 Cb 1.27 -0.08 -0.11 0.00 -0.12 0.00 0.00 29.99 30.95 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 -2.13 0.34 -0.17 1.57 0.52 -1.17 -3.89 118.95 114.01 1vle s ARG 761 Ca -0.04 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 1vle s ARG 761 Cb 0.01 0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.56 1vle s ARG 761 CO 0.07 -0.04 -0.16 0.08 0.02 0.00 0.00 175.30 175.26 1vle s VAL 762 N -1.51 2.48 -0.16 3.52 1.01 0.36 -4.64 120.40 121.46 1vle s VAL 762 Ca -0.15 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 1vle s VAL 762 Cb -0.10 -2.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.23 1vle s VAL 762 CO -0.01 0.52 1.07 -0.70 0.00 0.00 0.00 175.10 175.98 1vle s GLU 763 N 1.05 4.32 -0.21 2.72 2.12 -1.26 -0.38 118.70 127.06 1vle s GLU 763 Ca -0.01 1.44 -0.01 0.00 0.36 0.00 0.00 54.97 56.75 1vle s GLU 763 Cb -0.15 -3.62 0.06 0.00 0.26 0.00 0.00 34.13 30.69 1vle s GLU 763 CO -0.05 -0.52 -0.02 0.08 -0.54 0.00 0.00 175.26 174.21 1vle s VAL 764 N 2.76 1.08 -1.28 3.70 1.01 0.18 -4.82 120.40 123.04 1vle s VAL 764 Ca 0.48 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1vle s VAL 764 Cb -0.18 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1vle s VAL 764 CO 0.13 -0.10 1.03 0.47 0.00 0.00 0.00 175.10 176.62 1vle n ASP 765 N 4.85 -3.45 0.00 3.32 8.00 -1.26 -2.62 116.55 125.39 1vle n ASP 765 Ca -0.11 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.77 1vle n ASP 765 Cb 0.46 -4.92 0.00 0.00 -0.02 0.00 0.00 41.12 36.64 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 -1.49 1.71 3.31 0.44 0.00 -1.26 -5.02 105.19 102.87 1vle n GLY 766 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.07 2.56 -0.59 1.61 5.04 -1.08 -5.08 117.35 116.74 1vle s TYR 767 Ca 0.00 -0.68 -0.20 0.00 -2.44 0.00 0.00 57.07 53.76 1vle s TYR 767 Cb 0.00 -1.66 0.09 0.00 0.35 0.00 0.00 41.96 40.74 1vle s TYR 767 CO 0.00 -0.19 0.74 0.15 -1.34 0.00 0.00 175.55 174.91 1vle s LYS 768 N -0.08 3.07 0.45 4.97 1.02 -1.26 0.51 119.74 128.42 1vle s LYS 768 Ca -0.05 -1.17 -0.12 0.00 0.02 0.00 0.00 55.97 54.65 1vle s LYS 768 Cb -0.14 -4.23 -0.06 0.00 -0.52 0.00 0.00 37.83 32.87 1vle s LYS 768 CO 0.04 -1.54 0.84 0.71 -0.92 0.00 0.00 175.35 174.48 1vle s TYR 769 N 2.91 3.48 0.43 3.18 1.51 0.49 -4.71 117.35 124.63 1vle s TYR 769 Ca 0.14 1.15 -0.23 0.00 -1.01 0.00 0.00 57.07 57.12 1vle s TYR 769 Cb -0.22 -2.53 -0.09 0.00 -0.11 0.00 0.00 41.96 39.01 1vle s TYR 769 CO 0.08 -0.21 1.04 -0.46 -1.11 0.00 0.00 175.55 174.89 1vle s TRP 770 N -2.49 3.18 -0.01 2.71 -0.11 -1.26 -0.49 118.94 120.46 1vle s TRP 770 Ca 0.53 1.62 -0.14 0.00 1.22 0.00 0.00 56.10 59.33 1vle s TRP 770 Cb -0.10 -3.10 -0.05 0.00 -1.50 0.00 0.00 33.47 28.71 1vle s TRP 770 CO 0.33 -0.69 0.38 0.42 -4.62 0.00 0.00 176.95 172.77 1vle s ILE 771 N -1.77 5.08 -0.09 5.86 1.01 -1.25 -0.38 121.20 129.66 1vle s ILE 771 Ca 0.61 0.77 0.01 0.00 0.00 0.00 0.00 60.65 62.04 1vle s ILE 771 Cb -0.20 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.61 1vle s ILE 771 CO 0.25 0.58 -0.11 -0.32 0.00 0.00 0.00 174.94 175.34 1vle s MET 772 N -1.06 1.77 -0.11 2.79 -2.45 -0.52 -4.45 119.30 115.26 1vle s MET 772 Ca 0.23 -0.40 -0.19 0.00 -1.25 0.00 0.00 55.69 54.08 1vle s MET 772 Cb -0.16 -1.59 -0.04 0.00 1.25 0.00 0.00 34.83 34.29 1vle s MET 772 CO 0.12 -0.10 0.53 1.03 1.05 0.00 0.00 175.02 177.65 1vle s ARG 773 N 1.10 4.35 -0.03 4.11 0.52 0.12 -1.38 118.95 127.74 1vle s ARG 773 Ca -0.06 0.54 0.03 0.00 -0.52 0.00 0.00 55.73 55.72 1vle s ARG 773 Cb -0.14 -3.45 -0.00 0.00 0.52 0.00 0.00 34.95 31.88 1vle s ARG 773 CO -0.02 0.11 -0.12 0.08 0.02 0.00 0.00 175.30 175.37 1vle s VAL 774 N 0.74 1.02 0.31 3.52 1.01 -0.46 -1.89 120.40 124.66 1vle s VAL 774 Ca 0.28 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 1vle s VAL 774 Cb -0.16 -0.89 -0.10 0.00 0.00 0.00 0.00 36.38 35.23 1vle s VAL 774 CO 0.12 0.30 1.42 0.21 0.00 0.00 0.00 175.10 177.16 1vle s ASN 775 N 0.04 6.59 0.33 3.32 3.84 -1.26 -0.55 114.94 127.26 1vle s ASN 775 Ca -0.02 2.79 0.13 0.00 0.21 0.00 0.00 52.86 55.97 1vle s ASN 775 Cb -0.09 -2.64 1.00 0.00 -0.55 0.00 0.00 41.25 38.97 1vle s ASN 775 CO 0.01 -0.71 1.70 0.77 -2.79 0.00 0.00 177.10 176.08 1vle h SER 776 N 4.04 0.59 -0.50 -4.21 4.64 -1.77 -0.11 113.55 116.23 1vle h SER 776 Ca -0.48 0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 1vle h SER 776 Cb 1.23 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 1vle h SER 776 CO 0.71 -0.02 0.22 0.40 -0.87 0.00 0.00 176.83 177.27 1vle h ILE 777 N 0.44 1.20 -0.06 0.95 2.04 -1.90 0.65 117.51 120.84 1vle h ILE 777 Ca 0.69 -0.60 -0.22 0.00 1.00 0.00 0.00 64.86 65.74 1vle h ILE 777 Cb 1.47 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1vle h ILE 777 CO -0.53 0.23 -0.85 0.44 0.00 0.00 0.00 178.15 177.44 1vle h ASP 778 N 0.66 0.65 -0.26 1.72 3.32 -1.47 -2.44 116.42 118.61 1vle h ASP 778 Ca 0.17 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1vle h ASP 778 Cb 0.15 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1vle h ASP 778 CO -0.02 1.25 0.12 0.00 -1.72 0.00 0.00 179.24 178.88 1vle h ALA 779 N 0.72 0.34 -0.84 3.45 0.00 -0.96 -2.86 119.26 119.11 1vle h ALA 779 Ca -0.06 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1vle h ALA 779 Cb 1.46 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1vle h ALA 779 CO 0.16 -0.10 0.55 1.49 0.00 0.00 0.00 179.25 181.34 1vle h GLU 780 N 0.29 1.05 0.00 0.00 4.22 -0.86 0.87 114.58 120.15 1vle h GLU 780 Ca 0.09 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1vle h GLU 780 Cb 0.12 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1vle h GLU 780 CO -0.01 0.69 0.00 0.00 -2.18 0.00 0.00 179.01 177.51 1vle n ALA 781 N -2.34 1.54 -0.03 2.92 0.00 -0.92 -2.33 120.51 119.35 1vle n ALA 781 Ca 0.10 0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.61 1vle n ALA 781 Cb 0.07 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.28 1vle n ALA 781 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vle n ARG 782 N -1.93 2.43 -1.71 0.00 1.74 -0.51 -4.97 116.66 111.70 1vle n ARG 782 Ca 0.02 -1.59 -0.14 0.00 -0.77 0.00 0.00 57.85 55.37 1vle n ARG 782 Cb 0.17 -1.11 -0.04 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 -0.00 0.87 3.75 -0.13 0.00 -0.79 -4.58 105.19 104.31 1vle n GLY 783 Ca 0.05 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.58 5.23 0.23 -0.61 1.01 0.19 -4.96 121.20 119.71 1vle s ILE 784 Ca 0.00 0.71 0.10 0.00 0.00 0.00 0.00 60.65 61.46 1vle s ILE 784 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1vle s ILE 784 CO 0.00 0.40 -0.11 -0.54 0.00 0.00 0.00 174.94 174.69 1vle s LYS 785 N 0.24 1.98 0.20 2.79 1.02 -1.26 -4.19 119.74 120.51 1vle s LYS 785 Ca 0.20 -1.45 -0.33 0.00 0.02 0.00 0.00 55.97 54.42 1vle s LYS 785 Cb -0.14 -2.04 -0.13 0.00 -0.52 0.00 0.00 37.83 35.00 1vle s LYS 785 CO 0.07 0.39 1.53 -1.71 -0.92 0.00 0.00 175.35 174.71 1vle n ASN 786 N -0.33 3.11 0.00 2.83 4.05 -1.26 -1.34 115.26 122.32 1vle n ASN 786 Ca -0.09 1.11 0.00 0.00 0.45 0.00 0.00 54.58 56.05 1vle n ASN 786 Cb 0.57 -1.45 0.00 0.00 1.23 0.00 0.00 39.78 40.13 1vle n ASN 786 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1vle n GLY 787 N 2.94 2.18 3.76 8.20 0.00 0.11 -4.99 105.19 117.38 1vle n GLY 787 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.78 5.23 -0.11 1.61 1.01 -0.45 -4.56 116.67 117.62 1vle s ASP 788 Ca 0.00 2.24 -0.22 0.00 0.71 0.00 0.00 52.55 55.28 1vle s ASP 788 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1vle s ASP 788 CO 0.00 -1.56 0.67 -0.76 0.21 0.00 0.00 175.17 173.73 1vle s LEU 789 N -4.26 4.27 0.25 1.23 1.43 -1.26 -0.53 118.68 119.80 1vle s LEU 789 Ca 0.74 1.07 0.07 0.00 -1.03 0.00 0.00 54.13 54.98 1vle s LEU 789 Cb -0.26 -3.01 -0.05 0.00 0.03 0.00 0.00 46.19 42.89 1vle s LEU 789 CO 0.34 -0.16 -0.10 0.27 0.23 0.00 0.00 176.35 176.94 1vle s ILE 790 N 1.11 1.70 -0.23 -0.59 -4.36 0.20 -0.97 121.20 118.06 1vle s ILE 790 Ca 0.34 -2.17 -0.01 0.00 -0.26 0.00 0.00 60.65 58.55 1vle s ILE 790 Cb -0.17 -2.29 0.02 0.00 1.25 0.00 0.00 42.46 41.27 1vle s ILE 790 CO 0.15 -0.42 -0.09 -0.60 0.24 0.00 0.00 174.94 174.23 1vle s ARG 791 N -3.69 2.94 -0.15 0.37 3.52 0.24 0.44 118.95 122.62 1vle s ARG 791 Ca 0.27 -0.90 -0.14 0.00 -0.13 0.00 0.00 55.73 54.83 1vle s ARG 791 Cb 0.02 -2.90 -0.05 0.00 -1.56 0.00 0.00 34.95 30.46 1vle s ARG 791 CO 0.10 -0.33 0.30 0.00 -0.81 0.00 0.00 175.30 174.56 1vle s ALA 792 N 1.34 3.60 0.16 6.12 0.00 0.30 -2.60 121.76 130.67 1vle s ALA 792 Ca 0.02 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.37 1vle s ALA 792 Cb -0.16 -2.38 0.03 0.00 0.00 0.00 0.00 23.12 20.61 1vle s ALA 792 CO -0.06 0.13 0.46 1.52 0.00 0.00 0.00 175.76 177.81 1vle s TYR 793 N 0.34 -0.17 0.00 0.00 -0.85 -0.27 -0.85 117.35 115.55 1vle s TYR 793 Ca 0.17 -0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.57 1vle s TYR 793 Cb -0.13 0.32 0.00 0.00 0.38 0.00 0.00 41.96 42.53 1vle s TYR 793 CO 0.05 -0.80 0.00 0.27 -1.52 0.00 0.00 175.55 173.54 1vle n ASN 794 N -0.28 0.00 0.20 -0.18 0.23 -0.93 -1.68 115.26 112.62 1vle n ASN 794 Ca -0.13 -0.46 0.15 0.00 -0.53 0.00 0.00 54.58 53.60 1vle n ASN 794 Cb 0.63 0.00 0.68 0.00 -2.08 0.00 0.00 39.78 39.01 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 1.04 0.53 3.32 -1.95 -2.94 116.42 116.41 1vle h ASP 795 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vle h ASP 795 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1vle h ASP 795 CO 0.00 0.00 -0.63 0.03 -1.72 0.00 0.00 179.24 176.92 1vle h ARG 796 N 0.00 0.00 0.00 3.56 3.08 -1.90 -3.50 114.38 115.62 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 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1vle h ARG 796 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1vle n GLY 797 N 1.27 -0.84 3.01 0.04 0.00 -1.11 -4.78 105.19 102.79 1vle n GLY 797 Ca 0.03 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 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 0.67 -0.03 1.61 0.01 -1.26 -2.19 113.70 108.51 1vle s SER 798 Ca 0.00 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 56.88 1vle s SER 798 Cb 0.00 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.26 1vle s SER 798 CO 0.00 -0.13 -0.01 -0.69 0.41 0.00 0.00 173.24 172.82 1vle s VAL 799 N -0.97 0.26 -0.17 3.43 1.01 -0.03 -1.82 120.40 122.11 1vle s VAL 799 Ca -0.07 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 1vle s VAL 799 Cb -0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1vle s VAL 799 CO 0.00 0.15 0.42 -0.63 0.00 0.00 0.00 175.10 175.04 1vle s ILE 800 N 0.82 5.20 0.23 2.22 1.09 0.50 -0.54 121.20 130.71 1vle s ILE 800 Ca -0.09 0.79 0.01 0.00 -1.10 0.00 0.00 60.65 60.27 1vle s ILE 800 Cb -0.12 -3.76 -0.05 0.00 -1.06 0.00 0.00 42.46 37.47 1vle s ILE 800 CO -0.01 0.28 0.06 -0.76 -0.10 0.00 0.00 174.94 174.41 1vle s LEU 801 N 1.04 1.80 -0.17 2.97 1.43 0.17 -4.58 118.68 121.34 1vle s LEU 801 Ca 0.21 -1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 51.88 1vle s LEU 801 Cb -0.15 -0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.01 1vle s LEU 801 CO 0.08 -0.67 0.22 0.00 0.23 0.00 0.00 176.35 176.21 1vle s ALA 802 N -3.71 3.65 0.11 4.21 0.00 0.49 0.60 121.76 127.10 1vle s ALA 802 Ca 0.33 -0.55 -0.24 0.00 0.00 0.00 0.00 51.96 51.50 1vle s ALA 802 Cb 0.07 -2.28 -0.07 0.00 0.00 0.00 0.00 23.12 20.84 1vle s ALA 802 CO 0.11 0.15 0.73 0.00 0.00 0.00 0.00 175.76 176.75 1vle s ALA 803 N 0.33 3.45 -0.33 0.00 0.00 0.31 -1.44 121.76 124.06 1vle s ALA 803 Ca 0.13 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1vle s ALA 803 Cb -0.12 -2.91 0.10 0.00 0.00 0.00 0.00 23.12 20.19 1vle s ALA 803 CO 0.02 0.23 0.08 -1.14 0.00 0.00 0.00 175.76 174.95 1vle s GLN 804 N -0.76 1.10 0.11 0.00 0.74 -0.48 0.03 119.66 120.41 1vle s GLN 804 Ca 0.35 -1.50 -0.31 0.00 0.05 0.00 0.00 55.36 53.96 1vle s GLN 804 Cb -0.22 -2.59 -0.07 0.00 1.10 0.00 0.00 33.01 31.24 1vle s GLN 804 CO 0.24 -0.97 1.26 0.08 -0.55 0.00 0.00 175.29 175.35 1vle s VAL 805 N 1.22 3.65 0.29 1.34 1.01 -1.26 -1.36 120.40 125.30 1vle s VAL 805 Ca 0.11 1.24 -0.06 0.00 0.00 0.00 0.00 61.98 63.26 1vle s VAL 805 Cb -0.18 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 1vle s VAL 805 CO -0.16 0.13 0.44 0.28 0.00 0.00 0.00 175.10 175.79 1vle s THR 806 N 0.75 0.00 -1.03 3.92 -1.32 0.28 -4.90 115.64 113.34 1vle s THR 806 Ca 0.59 -1.56 0.09 0.00 -1.21 0.00 0.00 61.69 59.60 1vle s THR 806 Cb -0.33 -2.48 0.05 0.00 -1.51 0.00 0.00 72.50 68.23 1vle s THR 806 CO 0.32 0.00 0.72 -0.62 -2.21 0.00 0.00 174.62 172.83 1vle n GLU 807 N -0.47 0.96 -0.04 7.08 -0.58 -1.26 -2.06 120.64 124.28 1vle n GLU 807 Ca -0.00 -0.88 0.00 0.00 -0.42 0.00 0.00 57.16 55.86 1vle n GLU 807 Cb 0.62 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.36 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 -0.53 0.30 0.00 1.43 -1.26 -1.79 118.68 116.84 1vle s LEU 809 Ca 0.00 1.30 -0.29 0.00 -1.03 0.00 0.00 54.13 54.11 1vle s LEU 809 Cb 0.00 2.28 -0.10 0.00 0.03 0.00 0.00 46.19 48.40 1vle s LEU 809 CO 0.00 -0.25 1.32 -1.58 0.23 0.00 0.00 176.35 176.07 1vle s GLN 810 N 0.28 4.36 0.22 1.70 0.74 -1.26 -4.77 119.66 120.93 1vle s GLN 810 Ca -0.01 2.19 -0.31 0.00 0.05 0.00 0.00 55.36 57.29 1vle s GLN 810 Cb -0.04 -3.09 -0.15 0.00 1.10 0.00 0.00 33.01 30.82 1vle s GLN 810 CO 0.01 -0.21 1.17 -2.30 -0.55 0.00 0.00 175.29 173.42 1vle n PRO 811 N 1.23 1.42 -0.00 1.67 -0.02 -1.26 -1.51 135.00 136.52 1vle n PRO 811 Ca 0.02 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1vle n PRO 811 Cb 0.42 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 1.80 0.34 3.19 -1.23 0.00 -1.26 -5.07 105.19 102.96 1vle n GLY 812 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.01 1.83 0.29 2.61 2.01 -0.57 -1.31 115.64 118.49 1vle s THR 813 Ca 0.00 -0.91 0.11 0.00 0.31 0.00 0.00 61.69 61.20 1vle s THR 813 Cb 0.00 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 1vle s THR 813 CO 0.00 0.51 -0.10 0.68 -0.69 0.00 0.00 174.62 175.03 1vle s VAL 814 N 0.19 2.82 -0.03 3.82 -7.23 0.01 -4.31 120.40 115.67 1vle s VAL 814 Ca -0.11 -2.16 -0.02 0.00 -1.81 0.00 0.00 61.98 57.87 1vle s VAL 814 Cb -0.15 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.22 1vle s VAL 814 CO 0.06 -0.35 0.08 -2.28 -0.31 0.00 0.00 175.10 172.29 1vle s HIS 815 N -2.45 -0.07 -0.23 2.82 5.04 -0.79 -2.78 115.29 116.82 1vle s HIS 815 Ca 0.31 0.24 -0.10 0.00 -1.54 0.00 0.00 55.06 53.97 1vle s HIS 815 Cb -0.04 -0.05 0.09 0.00 0.04 0.00 0.00 32.58 32.62 1vle s HIS 815 CO 0.17 -0.08 0.53 0.45 -2.34 0.00 0.00 174.74 173.47 1vle s SER 816 N 0.50 -0.67 0.73 9.88 0.15 -1.13 0.13 113.70 123.30 1vle s SER 816 Ca -0.04 1.22 -0.15 0.00 0.70 0.00 0.00 55.95 57.69 1vle s SER 816 Cb -0.05 1.51 0.04 0.00 -1.71 0.00 0.00 66.02 65.80 1vle s SER 816 CO -0.02 -0.22 1.19 -0.31 1.20 0.00 0.00 173.24 175.08 1vle s TYR 817 N 2.29 2.10 0.00 3.44 4.12 -1.26 -4.05 117.35 123.99 1vle s TYR 817 Ca -0.06 1.60 0.00 0.00 0.02 0.00 0.00 57.07 58.63 1vle s TYR 817 Cb -0.10 -3.44 0.00 0.00 -1.52 0.00 0.00 41.96 36.90 1vle s TYR 817 CO -0.16 -2.52 0.00 -0.85 0.02 0.00 0.00 175.55 172.04 1vle n GLU 818 N -2.74 1.25 -1.08 -0.62 -0.00 -0.42 -4.72 120.64 112.31 1vle n GLU 818 Ca 0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 57.16 57.26 1vle n GLU 818 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 31.44 31.93 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 -2.43 -3.81 -4.63 -1.84 7.64 -0.59 -4.05 113.62 103.89 1vle n SER 819 Ca 0.00 0.07 -0.48 0.00 1.01 0.00 0.00 58.87 59.47 1vle n SER 819 Cb 0.00 -1.56 -0.04 0.00 -1.01 0.00 0.00 64.21 61.59 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 2.61 3.45 -2.74 0.00 0.00 -1.26 -4.27 120.51 118.30 1vle n ALA 821 Ca 0.16 -0.33 -0.37 0.00 0.00 0.00 0.00 53.44 52.89 1vle n ALA 821 Cb 0.26 -1.14 -0.11 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.01 4.99 -0.33 0.00 1.01 -1.26 -3.06 120.40 118.74 1vle s VAL 822 Ca 0.11 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 1vle s VAL 822 Cb 0.17 -3.37 0.05 0.00 0.00 0.00 0.00 36.38 33.23 1vle s VAL 822 CO 0.69 0.28 0.08 -0.47 0.00 0.00 0.00 175.10 175.69 1vle s TYR 823 N 1.69 3.27 -0.50 5.22 5.04 -1.26 -3.93 117.35 126.87 1vle s TYR 823 Ca 0.07 -1.58 0.04 0.00 -2.44 0.00 0.00 57.07 53.15 1vle s TYR 823 Cb -0.16 -2.27 0.17 0.00 0.35 0.00 0.00 41.96 40.05 1vle s TYR 823 CO 0.08 -0.76 0.37 0.34 -1.34 0.00 0.00 175.55 174.25 1vle s ASP 824 N 1.39 2.75 0.31 4.32 2.15 -1.26 -4.77 116.67 121.56 1vle s ASP 824 Ca -0.02 -3.24 -0.29 0.00 0.43 0.00 0.00 52.55 49.42 1vle s ASP 824 Cb -0.20 -0.86 -0.11 0.00 -0.30 0.00 0.00 42.92 41.45 1vle s ASP 824 CO 0.01 -0.16 1.43 -2.84 -0.17 0.00 0.00 175.17 173.45 1vle s PRO 825 N -0.35 4.23 0.16 4.34 0.02 -1.26 -1.91 135.00 140.23 1vle s PRO 825 Ca 0.28 2.38 0.26 0.00 0.02 0.00 0.00 61.00 63.94 1vle s PRO 825 Cb -0.02 -3.05 0.67 0.00 0.02 0.00 0.00 34.50 32.11 1vle s PRO 825 CO -0.16 -0.40 1.62 1.28 -0.33 0.00 0.00 177.00 179.00 1vle n LEU 826 N 1.35 0.72 0.00 -5.54 4.77 -0.36 -4.69 117.00 113.26 1vle n LEU 826 Ca 0.03 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1vle n LEU 826 Cb 0.40 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1vle n LEU 826 CO 0.61 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1vle n GLY 827 N 1.34 5.50 3.77 -0.72 0.00 -1.26 -4.92 105.19 108.89 1vle n GLY 827 Ca 0.05 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 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 2.09 2.64 0.29 2.61 2.01 -1.26 -4.42 115.64 119.61 1vle s THR 828 Ca 0.00 0.58 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 1vle s THR 828 Cb 0.00 -3.34 -0.11 0.00 0.01 0.00 0.00 72.50 69.06 1vle s THR 828 CO 0.00 0.09 1.60 0.00 -0.69 0.00 0.00 174.62 175.61 1vle s ALA 829 N -1.26 3.75 0.00 7.40 0.00 -1.26 -2.09 121.76 128.30 1vle s ALA 829 Ca 0.57 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.10 1vle s ALA 829 Cb -0.38 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1vle s ALA 829 CO 0.49 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1vle n GLY 830 N 2.16 0.63 0.00 0.00 0.00 -1.26 -4.74 105.19 101.97 1vle n GLY 830 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.44 -4.33 1.61 5.02 -0.89 -4.81 118.16 112.33 1vle n LYS 831 Ca 0.00 -0.30 -0.17 0.00 -2.02 0.00 0.00 58.31 55.82 1vle n LYS 831 Cb 0.00 -0.77 -0.10 0.00 -0.02 0.00 0.00 35.03 34.14 1vle n LYS 831 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1vle s SER 832 N -0.02 1.28 0.40 4.39 1.04 -1.01 -1.38 113.70 118.40 1vle s SER 832 Ca 0.00 -1.39 -0.27 0.00 0.48 0.00 0.00 55.95 54.77 1vle s SER 832 Cb 0.00 0.15 -0.10 0.00 0.10 0.00 0.00 66.02 66.17 1vle s SER 832 CO 0.00 -0.72 1.41 0.00 0.98 0.00 0.00 173.24 174.91 1vle s ALA 833 N -3.72 3.40 -0.10 5.32 0.00 -0.30 -4.74 121.76 121.62 1vle s ALA 833 Ca 0.38 1.44 -0.05 0.00 0.00 0.00 0.00 51.96 53.73 1vle s ALA 833 Cb 0.08 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1vle s ALA 833 CO 0.14 -1.00 0.09 0.34 0.00 0.00 0.00 175.76 175.33 1vle s ASP 834 N -0.41 5.98 0.00 0.00 2.15 -0.76 -1.22 116.67 122.41 1vle s ASP 834 Ca 0.56 0.35 0.07 0.00 0.43 0.00 0.00 52.55 53.96 1vle s ASP 834 Cb -0.43 -1.85 0.11 0.00 -0.30 0.00 0.00 42.92 40.44 1vle s ASP 834 CO 0.57 0.39 0.88 -2.11 -0.17 0.00 0.00 175.17 174.73 1vle n ARG 835 N 1.99 0.95 -0.09 4.34 1.85 -0.80 -0.37 116.66 124.52 1vle n ARG 835 Ca -0.19 -1.24 -0.13 0.00 -1.00 0.00 0.00 57.85 55.28 1vle n ARG 835 Cb 0.54 -1.16 -0.02 0.00 -1.05 0.00 0.00 32.46 30.78 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 1.44 0.96 0.00 2.89 0.00 -1.73 -3.43 103.07 103.20 1vle h GLY 836 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 47.33 46.28 1vle h GLY 836 CO 0.00 0.94 0.00 0.61 0.00 0.00 0.00 176.54 178.09 1vle n GLY 837 N 0.24 1.96 3.58 4.60 0.00 -1.25 -4.37 105.19 109.95 1vle n GLY 837 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 6.04 0.74 0.00 0.00 1.08 -1.86 -1.90 117.51 121.60 1vle h ILE 839 Ca 0.31 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.78 1vle h ILE 839 Cb 0.92 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 35.54 1vle h ILE 839 CO 1.34 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 179.39 1vle n ASN 840 N -4.24 0.00 0.14 1.72 3.02 -1.26 -1.13 115.26 113.51 1vle n ASN 840 Ca 0.02 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1vle n ASN 840 Cb 0.32 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.65 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 1.25 0.00 2.41 2.04 -1.57 -0.51 117.51 121.13 1vle h ILE 841 Ca 0.00 -2.16 0.00 0.00 1.00 0.00 0.00 64.86 63.70 1vle h ILE 841 Cb 0.00 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1vle h ILE 841 CO 0.00 0.58 -0.89 0.18 0.00 0.00 0.00 178.15 178.02 1vle n LEU 842 N -3.58 0.65 -4.78 1.44 4.77 -0.28 -4.19 117.00 111.04 1vle n LEU 842 Ca -0.00 -0.10 -0.37 0.00 -0.03 0.00 0.00 56.01 55.50 1vle n LEU 842 Cb 0.65 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 1vle n LEU 842 CO 0.41 0.10 0.72 0.42 -1.33 0.00 0.00 177.39 177.71 1vle s THR 843 N -3.11 3.84 0.23 -5.08 -4.23 -1.23 -4.81 115.64 101.25 1vle s THR 843 Ca 0.06 1.52 -0.31 0.00 -1.18 0.00 0.00 61.69 61.78 1vle s THR 843 Cb 0.15 -3.84 -0.11 0.00 1.34 0.00 0.00 72.50 70.05 1vle s THR 843 CO 0.79 0.11 1.54 -2.16 -0.54 0.00 0.00 174.62 174.37 1vle s PRO 844 N -2.17 4.20 0.00 3.99 0.04 -1.26 -0.70 135.00 139.10 1vle s PRO 844 Ca 0.53 2.42 0.26 0.00 0.04 0.00 0.00 61.00 64.24 1vle s PRO 844 Cb -0.23 -3.10 0.60 0.00 0.04 0.00 0.00 34.50 31.82 1vle s PRO 844 CO 0.29 -0.56 1.48 -0.40 0.04 0.00 0.00 177.00 177.84 1vle n ASP 845 N 2.95 1.69 -4.76 6.66 3.85 -1.26 -4.48 116.55 121.20 1vle n ASP 845 Ca 0.10 -1.38 -0.41 0.00 -0.71 0.00 0.00 54.79 52.39 1vle n ASP 845 Cb 0.38 0.14 -0.02 0.00 -1.35 0.00 0.00 41.12 40.27 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 -2.26 4.32 0.64 0.11 3.52 -1.26 -4.96 118.95 119.05 1vle s ARG 846 Ca 0.28 2.24 -0.18 0.00 -0.13 0.00 0.00 55.73 57.94 1vle s ARG 846 Cb 0.20 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.48 1vle s ARG 846 CO 0.44 -0.29 1.29 0.71 -0.81 0.00 0.00 175.30 176.63 1vle s TYR 847 N -0.57 2.12 0.25 5.12 4.12 -1.26 -4.41 117.35 122.72 1vle s TYR 847 Ca 0.54 1.48 -0.05 0.00 0.02 0.00 0.00 57.07 59.05 1vle s TYR 847 Cb -0.40 -3.68 0.46 0.00 -1.52 0.00 0.00 41.96 36.82 1vle s TYR 847 CO 0.48 -2.85 1.66 0.82 0.02 0.00 0.00 175.55 175.68 1vle h ILE 848 N 0.63 0.44 -3.89 2.71 2.04 -1.29 -3.44 117.51 114.71 1vle h ILE 848 Ca -0.51 -0.07 -0.31 0.00 1.00 0.00 0.00 64.86 64.97 1vle h ILE 848 Cb 1.33 0.23 -0.08 0.00 -0.74 0.00 0.00 36.82 37.55 1vle h ILE 848 CO 0.54 0.04 -0.30 -1.54 0.00 0.00 0.00 178.15 176.88 1vle n SER 849 N -5.23 -0.51 -0.18 1.72 3.41 -1.02 -4.95 113.62 106.86 1vle n SER 849 Ca 0.14 -2.47 -0.08 0.00 -0.26 0.00 0.00 58.87 56.21 1vle n SER 849 Cb 0.48 1.17 0.02 0.00 -0.26 0.00 0.00 64.21 65.61 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 0.73 0.00 4.33 3.64 -1.91 -3.28 116.57 120.08 1vle h LYS 850 Ca -0.16 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1vle h LYS 850 Cb 0.81 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1vle h LYS 850 CO 0.23 0.59 -1.14 0.66 -2.27 0.00 0.00 179.45 177.53 1vle n TYR 851 N -4.61 0.00 -2.67 1.91 4.01 -1.26 -4.76 117.16 109.77 1vle n TYR 851 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 1vle n TYR 851 Cb 0.11 -0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 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 -2.65 2.91 -1.26 -0.72 0.00 -1.24 -4.60 121.76 114.20 1vle s ALA 852 Ca 0.00 -2.29 -0.08 0.00 0.00 0.00 0.00 51.96 49.60 1vle s ALA 852 Cb 0.10 -4.34 -0.04 0.00 0.00 0.00 0.00 23.12 18.85 1vle s ALA 852 CO 0.59 -3.37 2.85 0.00 0.00 0.00 0.00 175.76 175.84 1vle s GLY 854 N 1.47 2.46 0.14 0.00 0.00 -1.26 -4.90 107.32 105.23 1vle s GLY 854 Ca 0.64 -1.93 -0.23 0.00 0.00 0.00 0.00 44.72 43.20 1vle s GLY 854 CO -0.08 -2.00 0.71 -3.16 0.00 0.00 0.00 173.10 168.58 1vle s MET 855 N -3.87 4.46 -0.32 2.90 0.23 -1.26 -2.04 119.30 119.40 1vle s MET 855 Ca 0.35 1.03 0.07 0.00 -1.03 0.00 0.00 55.69 56.12 1vle s MET 855 Cb 0.05 -3.25 0.47 0.00 -1.53 0.00 0.00 34.83 30.57 1vle s MET 855 CO 0.19 0.59 1.40 0.00 -2.03 0.00 0.00 175.02 175.17 1vle n ALA 856 N 1.63 4.67 -0.28 3.16 0.00 -1.26 -3.79 120.51 124.64 1vle n ALA 856 Ca -0.07 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 49.94 1vle n ALA 856 Cb 0.49 -0.65 0.07 0.00 0.00 0.00 0.00 19.45 19.36 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 1.49 -0.95 0.00 0.00 4.21 -1.78 -3.03 115.58 115.53 1vle h ASN 857 Ca 0.28 0.25 0.00 0.00 1.21 0.00 0.00 56.30 58.03 1vle h ASN 857 Cb 1.42 0.56 0.00 0.00 -1.12 0.00 0.00 38.32 39.18 1vle h ASN 857 CO 0.58 -0.28 0.00 0.59 -1.29 0.00 0.00 177.43 177.03 1vle n ASN 858 N -5.50 0.04 -3.83 5.81 3.02 -0.75 -3.91 115.26 110.14 1vle n ASN 858 Ca 0.10 -0.74 -0.30 0.00 -0.03 0.00 0.00 54.58 53.60 1vle n ASN 858 Cb 0.40 -0.02 -0.15 0.00 -0.61 0.00 0.00 39.78 39.40 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 -1.90 1.55 -0.04 3.41 -4.23 -1.14 -4.40 115.64 108.88 1vle s THR 859 Ca 0.00 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1vle s THR 859 Cb 0.00 -2.13 0.03 0.00 1.34 0.00 0.00 72.50 71.73 1vle s THR 859 CO 0.00 -0.71 0.02 0.00 -0.54 0.00 0.00 174.62 173.39 1vle s ALA 860 N 1.00 0.39 -0.04 3.99 0.00 -0.95 -4.60 121.76 121.55 1vle s ALA 860 Ca 0.12 0.09 -0.18 0.00 0.00 0.00 0.00 51.96 52.00 1vle s ALA 860 Cb -0.20 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 1vle s ALA 860 CO -0.13 -0.29 0.50 -0.51 0.00 0.00 0.00 175.76 175.33 1vle s LEU 861 N 1.60 4.38 0.26 0.00 1.43 -1.26 0.11 118.68 125.20 1vle s LEU 861 Ca -0.02 0.98 -0.07 0.00 -1.03 0.00 0.00 54.13 54.00 1vle s LEU 861 Cb -0.13 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 1vle s LEU 861 CO -0.03 0.13 0.38 0.68 0.23 0.00 0.00 176.35 177.73 1vle s VAL 862 N -0.14 0.00 0.05 -1.59 -7.23 -0.38 -4.79 120.40 106.31 1vle s VAL 862 Ca 0.27 -1.62 0.04 0.00 -1.81 0.00 0.00 61.98 58.85 1vle s VAL 862 Cb -0.17 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 1vle s VAL 862 CO 0.14 0.00 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.12 1vle s GLU 863 N -3.83 0.67 0.10 4.82 2.56 -0.67 -1.74 118.70 120.60 1vle s GLU 863 Ca 0.29 -0.81 0.03 0.00 0.00 0.00 0.00 54.97 54.49 1vle s GLU 863 Cb 0.02 -0.56 -0.04 0.00 2.00 0.00 0.00 34.13 35.55 1vle s GLU 863 CO 0.13 0.12 -0.10 0.96 -0.56 0.00 0.00 175.26 175.81 1vle s ILE 864 N -1.24 0.93 0.13 -3.70 -4.36 -1.26 -1.12 121.20 110.59 1vle s ILE 864 Ca -0.05 -1.74 -0.23 0.00 -0.26 0.00 0.00 60.65 58.37 1vle s ILE 864 Cb -0.09 -1.47 0.07 0.00 1.25 0.00 0.00 42.46 42.21 1vle s ILE 864 CO 0.01 -0.63 0.59 -1.83 0.24 0.00 0.00 174.94 173.32 1vle s GLU 865 N -3.07 1.22 0.31 0.37 -1.05 -1.07 -4.98 118.70 110.43 1vle s GLU 865 Ca 0.08 -0.40 -0.30 0.00 -0.15 0.00 0.00 54.97 54.21 1vle s GLU 865 Cb -0.01 0.56 -0.11 0.00 -0.44 0.00 0.00 34.13 34.13 1vle s GLU 865 CO -0.01 -0.51 1.56 0.15 0.95 0.00 0.00 175.26 177.40 1vle s LYS 866 N -3.40 4.13 0.03 -4.83 1.02 -1.26 -0.59 119.74 114.85 1vle s LYS 866 Ca -0.01 2.56 -0.30 0.00 0.02 0.00 0.00 55.97 58.24 1vle s LYS 866 Cb -0.01 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 34.23 1vle s LYS 866 CO -0.10 -0.60 1.23 -0.46 -0.92 0.00 0.00 175.35 174.51 1vle s TRP 867 N -0.25 3.31 -1.87 3.18 -0.00 -0.14 -4.68 118.94 118.49 1vle s TRP 867 Ca 0.61 1.21 0.30 0.00 -0.00 0.00 0.00 56.10 58.21 1vle s TRP 867 Cb -0.47 -3.46 1.40 0.00 -0.00 0.00 0.00 33.47 30.94 1vle s TRP 867 CO 0.51 -1.48 1.96 -0.40 -0.00 0.00 0.00 176.95 177.53 1vle n ASP 868 N 4.34 0.48 0.00 5.86 5.68 -1.26 -4.92 116.55 126.74 1vle n ASP 868 Ca 0.10 -0.81 0.00 0.00 -0.50 0.00 0.00 54.79 53.58 1vle n ASP 868 Cb 0.46 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1vle n ASP 868 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vle n GLY 869 N 1.19 0.64 3.80 6.12 0.00 -1.26 -5.07 105.19 110.61 1vle n GLY 869 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.68 5.11 0.04 1.61 3.68 -1.26 -4.96 116.67 118.20 1vle s ASP 870 Ca 0.00 1.71 0.24 0.00 2.13 0.00 0.00 52.55 56.62 1vle s ASP 870 Cb 0.00 -2.51 0.21 0.00 -1.45 0.00 0.00 42.92 39.18 1vle s ASP 870 CO 0.00 -1.63 1.19 2.29 0.13 0.00 0.00 175.17 177.15 1vle n LYS 871 N -3.18 0.15 -3.73 4.34 2.85 -1.26 -4.97 118.16 112.36 1vle n LYS 871 Ca 0.08 0.01 -0.33 0.00 -1.05 0.00 0.00 58.31 57.02 1vle n LYS 871 Cb 0.53 -1.56 0.04 0.00 -0.65 0.00 0.00 35.03 33.39 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 -1.76 -1.85 -2.64 5.58 4.02 -1.26 -1.15 117.16 118.09 1vle n TYR 872 Ca 0.04 0.41 -0.43 0.00 -0.01 0.00 0.00 57.90 57.90 1vle n TYR 872 Cb 0.39 -3.33 0.00 0.00 -0.02 0.00 0.00 39.34 36.38 1vle n TYR 872 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1vle n GLU 873 N -4.24 3.24 -0.08 -0.72 2.13 -1.26 -3.41 120.64 116.31 1vle n GLU 873 Ca -0.10 -3.42 0.01 0.00 0.66 0.00 0.00 57.16 54.31 1vle n GLU 873 Cb 0.59 -3.33 0.01 0.00 0.27 0.00 0.00 31.44 28.97 1vle n GLU 873 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1vle n ILE 874 N 5.68 0.30 0.48 6.31 -5.35 -0.77 -4.95 119.36 121.06 1vle n ILE 874 Ca 0.45 -0.32 0.06 0.00 -0.27 0.00 0.00 62.75 62.67 1vle n ILE 874 Cb 0.44 0.76 0.05 0.00 -1.74 0.00 0.00 39.64 39.15 1vle n ILE 874 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57