#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 1.25 4.00 3.03 0.00 -1.26 -5.01 105.19 107.19 1vle n GLY 2 Ca 0.00 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 1vle n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vle s GLU 3 N 1.68 2.89 -0.06 1.61 0.41 -1.26 -4.84 118.70 119.13 1vle s GLU 3 Ca 0.00 -1.06 -0.21 0.00 -0.41 0.00 0.00 54.97 53.29 1vle s GLU 3 Cb 0.00 -2.73 -0.04 0.00 -1.78 0.00 0.00 34.13 29.58 1vle s GLU 3 CO 0.00 -0.24 0.61 0.08 -0.49 0.00 0.00 175.26 175.23 1vle s VAL 4 N -2.37 5.03 -0.02 2.63 1.01 -1.26 -4.39 120.40 121.03 1vle s VAL 4 Ca 0.52 1.26 0.07 0.00 0.00 0.00 0.00 61.98 63.84 1vle s VAL 4 Cb -0.10 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1vle s VAL 4 CO 0.34 0.33 -0.24 -0.69 0.00 0.00 0.00 175.10 174.83 1vle s VAL 5 N 0.42 2.22 -0.39 2.92 1.01 0.56 -4.95 120.40 122.19 1vle s VAL 5 Ca 0.33 -1.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 1vle s VAL 5 Cb -0.17 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.43 1vle s VAL 5 CO 0.16 0.57 0.41 -0.60 0.00 0.00 0.00 175.10 175.64 1vle s ARG 6 N -0.67 3.26 0.53 2.72 3.52 -1.26 -0.59 118.95 126.46 1vle s ARG 6 Ca 0.10 -0.64 0.06 0.00 -0.13 0.00 0.00 55.73 55.13 1vle s ARG 6 Cb -0.10 -3.91 0.06 0.00 -1.56 0.00 0.00 34.95 29.44 1vle s ARG 6 CO -0.01 -0.74 0.49 1.28 -0.81 0.00 0.00 175.30 175.52 1vle n LEU 7 N 5.52 0.00 -4.29 -0.88 4.77 0.18 -4.90 117.00 117.39 1vle n LEU 7 Ca -0.08 -2.61 -0.21 0.00 -0.03 0.00 0.00 56.01 53.08 1vle n LEU 7 Cb 0.48 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 1vle n LEU 7 CO 0.44 -0.61 -0.48 0.42 -1.33 0.00 0.00 177.39 175.84 1vle s THR 8 N -2.53 1.64 0.03 -5.08 -4.23 -1.26 -0.33 115.64 103.88 1vle s THR 8 Ca 0.37 -1.80 -0.07 0.00 -1.18 0.00 0.00 61.69 59.01 1vle s THR 8 Cb -0.03 -1.70 0.02 0.00 1.34 0.00 0.00 72.50 72.14 1vle s THR 8 CO 0.24 -0.32 0.34 -3.20 -0.54 0.00 0.00 174.62 171.14 1vle n ASN 9 N 0.48 -0.47 -1.54 3.99 2.85 -1.00 -1.33 115.26 118.24 1vle n ASN 9 Ca -0.15 -1.21 -0.03 0.00 -0.11 0.00 0.00 54.58 53.08 1vle n ASN 9 Cb 0.57 0.76 0.00 0.00 1.24 0.00 0.00 39.78 42.35 1vle n ASN 9 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1vle n SER 10 N -0.67 -0.60 -3.54 1.20 2.88 -1.26 -1.48 113.62 110.14 1vle n SER 10 Ca 0.00 -1.49 -0.01 0.00 -1.33 0.00 0.00 58.87 56.04 1vle n SER 10 Cb 0.18 1.03 0.01 0.00 -0.75 0.00 0.00 64.21 64.68 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 -1.62 -0.00 0.00 -3.46 1.04 -1.07 -4.76 113.70 103.83 1vle s SER 11 Ca 0.06 -0.48 0.14 0.00 0.48 0.00 0.00 55.95 56.14 1vle s SER 11 Cb -0.01 0.37 0.82 0.00 0.10 0.00 0.00 66.02 67.29 1vle s SER 11 CO 0.04 -0.72 1.24 0.35 0.98 0.00 0.00 173.24 175.13 1vle n THR 12 N -0.75 0.00 -0.40 2.02 -2.24 -1.26 -1.36 114.28 110.29 1vle n THR 12 Ca -0.01 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 1vle n THR 12 Cb 0.59 -0.77 0.14 0.00 -2.10 0.00 0.00 70.33 68.19 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 -0.12 3.32 0.00 3.38 0.00 -1.26 -3.85 105.19 106.67 1vle n GLY 13 Ca 0.10 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.17 2.08 3.75 -0.02 0.00 -0.47 -1.72 105.19 108.65 1vle n GLY 14 Ca 0.11 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 1vle n GLY 14 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1vle s PRO 15 N -2.48 2.86 0.03 1.61 0.02 -1.26 -2.59 135.00 133.18 1vle s PRO 15 Ca 0.00 1.82 -0.09 0.00 0.02 0.00 0.00 61.00 62.75 1vle s PRO 15 Cb 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.61 1vle s PRO 15 CO 0.00 -1.30 0.18 0.14 -0.33 0.00 0.00 177.00 175.69 1vle s VAL 16 N -1.65 0.10 -0.20 3.83 -7.23 -0.55 -4.42 120.40 110.28 1vle s VAL 16 Ca 0.77 -0.84 -0.12 0.00 -1.81 0.00 0.00 61.98 59.98 1vle s VAL 16 Cb -0.30 -0.77 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 1vle s VAL 16 CO 0.35 -0.47 0.21 -0.36 -0.31 0.00 0.00 175.10 174.52 1vle s PHE 17 N -2.20 3.40 -0.23 2.82 2.99 -0.38 -2.36 117.98 122.01 1vle s PHE 17 Ca -0.08 0.41 -0.03 0.00 0.00 0.00 0.00 56.93 57.23 1vle s PHE 17 Cb -0.03 -2.27 0.00 0.00 0.00 0.00 0.00 43.02 40.73 1vle s PHE 17 CO -0.02 0.20 -0.05 0.08 -0.00 0.00 0.00 175.22 175.43 1vle s VAL 18 N 0.62 3.18 -0.27 -0.44 1.01 0.55 -1.75 120.40 123.30 1vle s VAL 18 Ca 0.11 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.20 1vle s VAL 18 Cb -0.12 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1vle s VAL 18 CO 0.02 0.34 0.62 -0.31 0.00 0.00 0.00 175.10 175.77 1vle s TYR 19 N 1.42 3.26 0.03 5.22 1.51 -0.48 0.48 117.35 128.78 1vle s TYR 19 Ca 0.04 0.73 0.08 0.00 -1.01 0.00 0.00 57.07 56.91 1vle s TYR 19 Cb -0.15 -2.87 -0.03 0.00 -0.11 0.00 0.00 41.96 38.80 1vle s TYR 19 CO -0.04 -0.37 -0.24 0.08 -1.11 0.00 0.00 175.55 173.88 1vle s VAL 20 N 2.51 2.31 -0.11 0.71 1.01 0.24 0.34 120.40 127.41 1vle s VAL 20 Ca 0.25 -1.25 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 1vle s VAL 20 Cb -0.15 -1.89 0.06 0.00 0.00 0.00 0.00 36.38 34.39 1vle s VAL 20 CO 0.09 0.42 0.22 -0.75 0.00 0.00 0.00 175.10 175.08 1vle s LYS 21 N -1.12 0.10 -1.25 2.72 2.20 0.15 -0.32 119.74 122.21 1vle s LYS 21 Ca 0.12 0.66 -0.06 0.00 -0.36 0.00 0.00 55.97 56.33 1vle s LYS 21 Cb -0.10 -0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.06 1vle s LYS 21 CO 0.02 -0.30 0.71 -0.25 -0.36 0.00 0.00 175.35 175.17 1vle n ASP 22 N 5.34 -2.75 -0.98 1.43 8.00 -1.26 -1.89 116.55 124.44 1vle n ASP 22 Ca -0.05 -0.89 -0.13 0.00 0.71 0.00 0.00 54.79 54.43 1vle n ASP 22 Cb 0.50 -3.85 -0.06 0.00 -0.02 0.00 0.00 41.12 37.69 1vle n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vle n GLY 23 N -1.63 1.34 2.96 0.44 0.00 -1.26 -4.95 105.19 102.10 1vle n GLY 23 Ca -0.22 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.01 0.87 0.08 1.61 2.20 -0.79 -4.67 119.74 116.02 1vle s LYS 24 Ca 0.00 -0.23 -0.30 0.00 -0.36 0.00 0.00 55.97 55.08 1vle s LYS 24 Cb 0.00 -0.83 -0.06 0.00 -1.51 0.00 0.00 37.83 35.44 1vle s LYS 24 CO 0.00 0.05 1.17 0.42 -0.36 0.00 0.00 175.35 176.63 1vle s ILE 25 N 0.40 4.04 -0.23 5.43 1.01 -1.26 -0.68 121.20 129.91 1vle s ILE 25 Ca -0.06 1.51 -0.02 0.00 0.00 0.00 0.00 60.65 62.08 1vle s ILE 25 Cb -0.10 -3.97 -0.18 0.00 0.01 0.00 0.00 42.46 38.22 1vle s ILE 25 CO 0.00 0.14 -0.11 -0.38 0.00 0.00 0.00 174.94 174.59 1vle n ILE 26 N 3.64 1.55 -3.50 2.92 5.41 0.15 -4.94 119.36 124.61 1vle n ILE 26 Ca 0.08 -0.55 -0.09 0.00 1.00 0.00 0.00 62.75 63.19 1vle n ILE 26 Cb 0.47 -1.56 -0.02 0.00 -0.71 0.00 0.00 39.64 37.81 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 -2.52 0.86 0.03 0.38 1.70 -1.21 -5.01 118.95 113.17 1vle s ARG 27 Ca -0.33 -0.29 0.07 0.00 -0.47 0.00 0.00 55.73 54.72 1vle s ARG 27 Cb 0.09 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.85 1vle s ARG 27 CO 0.62 -0.37 -0.21 -1.64 -1.08 0.00 0.00 175.30 172.62 1vle s MET 28 N -3.05 1.48 0.17 3.89 -1.94 -1.26 -1.38 119.30 117.20 1vle s MET 28 Ca 0.04 -0.88 -0.11 0.00 -1.71 0.00 0.00 55.69 53.03 1vle s MET 28 Cb -0.01 -1.54 0.00 0.00 2.01 0.00 0.00 34.83 35.29 1vle s MET 28 CO -0.09 0.40 0.34 0.95 -0.01 0.00 0.00 175.02 176.61 1vle s THR 29 N -0.70 0.06 1.11 2.05 -4.23 -0.71 -4.96 115.64 108.25 1vle s THR 29 Ca 0.08 -1.21 -0.13 0.00 -1.18 0.00 0.00 61.69 59.25 1vle s THR 29 Cb -0.09 -1.73 0.25 0.00 1.34 0.00 0.00 72.50 72.27 1vle s THR 29 CO 0.01 -0.28 1.05 -2.84 -0.54 0.00 0.00 174.62 172.02 1vle s PRO 30 N -3.93 -0.45 -0.19 3.99 0.02 -1.26 -1.25 135.00 131.93 1vle s PRO 30 Ca 0.14 0.72 -0.05 0.00 0.02 0.00 0.00 61.00 61.83 1vle s PRO 30 Cb 0.02 -1.62 -0.03 0.00 0.02 0.00 0.00 34.50 32.90 1vle s PRO 30 CO -0.02 -3.37 0.00 -1.64 -0.33 0.00 0.00 177.00 171.64 1vle s MET 31 N -4.65 3.68 0.02 5.54 -1.94 -1.26 -4.43 119.30 116.27 1vle s MET 31 Ca 0.67 -0.49 -0.16 0.00 -1.71 0.00 0.00 55.69 54.00 1vle s MET 31 Cb -0.23 -3.06 -0.06 0.00 2.01 0.00 0.00 34.83 33.50 1vle s MET 31 CO 0.62 0.11 0.45 -0.51 -0.01 0.00 0.00 175.02 175.67 1vle s ASP 32 N 0.75 6.86 0.36 3.03 1.01 -1.26 -1.18 116.67 126.24 1vle s ASP 32 Ca 0.00 1.03 -0.15 0.00 0.71 0.00 0.00 52.55 54.15 1vle s ASP 32 Cb -0.14 -2.27 -0.09 0.00 1.01 0.00 0.00 42.92 41.43 1vle s ASP 32 CO 0.02 0.31 0.77 -0.36 0.21 0.00 0.00 175.17 176.12 1vle s PHE 33 N -1.10 3.39 -0.53 4.23 2.99 -0.85 -4.99 117.98 121.12 1vle s PHE 33 Ca 0.25 1.23 -0.06 0.00 0.00 0.00 0.00 56.93 58.36 1vle s PHE 33 Cb -0.17 -2.56 0.14 0.00 0.00 0.00 0.00 43.02 40.43 1vle s PHE 33 CO 0.15 0.02 0.37 0.34 -0.00 0.00 0.00 175.22 176.10 1vle s ASP 34 N -2.46 5.54 0.14 1.36 2.15 -1.26 -4.95 116.67 117.18 1vle s ASP 34 Ca 0.55 -2.28 0.05 0.00 0.43 0.00 0.00 52.55 51.30 1vle s ASP 34 Cb -0.10 -1.93 0.26 0.00 -0.30 0.00 0.00 42.92 40.85 1vle s ASP 34 CO 0.20 -0.55 0.96 0.47 -0.17 0.00 0.00 175.17 176.08 1vle n ASP 35 N 4.34 0.13 0.15 -0.34 8.00 -1.26 -0.34 116.55 127.22 1vle n ASP 35 Ca -0.00 0.37 0.03 0.00 0.71 0.00 0.00 54.79 55.90 1vle n ASP 35 Cb 0.41 -0.34 0.05 0.00 -0.02 0.00 0.00 41.12 41.22 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 1.05 0.70 0.00 2.24 0.00 -2.01 -3.38 119.26 117.85 1vle h ALA 36 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1vle h ALA 36 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1vle h ALA 36 CO 0.00 0.60 -0.16 1.33 0.00 0.00 0.00 179.25 181.02 1vle n VAL 37 N -3.24 0.00 -3.60 0.00 0.24 0.54 -5.04 118.33 107.23 1vle n VAL 37 Ca 0.02 -0.16 -0.37 0.00 -2.04 0.00 0.00 64.34 61.79 1vle n VAL 37 Cb 0.71 0.75 -0.10 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 -0.65 6.14 0.48 -1.34 1.01 0.38 -4.97 116.67 117.71 1vle s ASP 38 Ca 0.00 0.14 -0.22 0.00 0.71 0.00 0.00 52.55 53.18 1vle s ASP 38 Cb 0.00 -2.13 -0.10 0.00 1.01 0.00 0.00 42.92 41.70 1vle s ASP 38 CO 0.00 0.01 0.78 0.00 0.21 0.00 0.00 175.17 176.17 1vle n ALA 39 N 4.54 -0.55 -0.81 5.23 0.00 -1.26 -4.55 120.51 123.12 1vle n ALA 39 Ca -0.14 0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 1vle n ALA 39 Cb 0.52 -1.95 0.15 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.03 1.26 0.72 0.00 0.02 -1.26 -4.95 135.00 128.76 1vle s PRO 40 Ca 0.66 1.48 -0.06 0.00 0.02 0.00 0.00 61.00 63.10 1vle s PRO 40 Cb -0.52 -1.76 0.08 0.00 0.02 0.00 0.00 34.50 32.31 1vle s PRO 40 CO 0.55 -2.44 1.02 -1.12 -0.33 0.00 0.00 177.00 174.68 1vle s SER 41 N -2.80 4.67 0.81 2.53 0.01 -1.26 -4.19 113.70 113.47 1vle s SER 41 Ca 0.66 0.35 -0.12 0.00 1.31 0.00 0.00 55.95 58.15 1vle s SER 41 Cb -0.22 -0.94 0.08 0.00 0.21 0.00 0.00 66.02 65.15 1vle s SER 41 CO 0.57 -1.68 1.14 -1.66 0.41 0.00 0.00 173.24 172.03 1vle s TRP 42 N -3.26 2.90 0.03 2.43 1.48 -1.26 -4.91 118.94 116.34 1vle s TRP 42 Ca 0.61 0.88 -0.00 0.00 -1.06 0.00 0.00 56.10 56.53 1vle s TRP 42 Cb -0.10 -3.35 -0.02 0.00 -1.16 0.00 0.00 33.47 28.84 1vle s TRP 42 CO 0.45 -1.81 -0.03 0.15 -4.06 0.00 0.00 176.95 171.65 1vle s LYS 43 N -5.42 0.38 -0.05 3.25 1.02 -1.26 -4.45 119.74 113.21 1vle s LYS 43 Ca 0.62 -0.76 -0.01 0.00 0.02 0.00 0.00 55.97 55.84 1vle s LYS 43 Cb -0.12 0.13 0.03 0.00 -0.52 0.00 0.00 37.83 37.35 1vle s LYS 43 CO 0.51 -0.06 0.02 0.42 -0.92 0.00 0.00 175.35 175.31 1vle s ILE 44 N -2.04 0.18 -0.29 2.17 1.01 0.20 -4.97 121.20 117.46 1vle s ILE 44 Ca -0.11 0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 1vle s ILE 44 Cb -0.06 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 1vle s ILE 44 CO -0.03 0.20 0.19 -1.61 0.00 0.00 0.00 174.94 173.69 1vle s GLU 45 N 1.70 3.84 -0.10 2.79 8.01 -1.26 0.15 118.70 133.84 1vle s GLU 45 Ca -0.00 -0.39 -0.09 0.00 0.01 0.00 0.00 54.97 54.50 1vle s GLU 45 Cb -0.13 -3.66 0.03 0.00 -4.31 0.00 0.00 34.13 26.06 1vle s GLU 45 CO -0.03 -0.23 0.26 0.00 0.01 0.00 0.00 175.26 175.26 1vle s ALA 46 N 1.74 -0.64 -1.55 5.21 0.00 -0.72 -4.93 121.76 120.87 1vle s ALA 46 Ca 0.07 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 52.73 1vle s ALA 46 Cb -0.16 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.56 1vle s ALA 46 CO 0.10 -0.12 0.24 0.54 0.00 0.00 0.00 175.76 176.52 1vle n ARG 47 N 2.98 -1.79 -1.06 0.00 1.74 -1.26 -0.94 116.66 116.33 1vle n ARG 47 Ca -0.13 0.21 -0.02 0.00 -0.77 0.00 0.00 57.85 57.14 1vle n ARG 47 Cb 0.58 -4.08 -0.01 0.00 -1.02 0.00 0.00 32.46 27.93 1vle n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vle n GLY 48 N -2.18 0.49 3.42 -0.13 0.00 -1.26 -5.01 105.19 100.51 1vle n GLY 48 Ca -0.25 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.24 1.54 -0.23 1.61 1.02 -0.11 -5.13 119.74 117.20 1vle s LYS 49 Ca 0.00 -1.81 -0.01 0.00 0.02 0.00 0.00 55.97 54.17 1vle s LYS 49 Cb 0.00 -0.93 0.03 0.00 -0.52 0.00 0.00 37.83 36.41 1vle s LYS 49 CO 0.00 -0.08 -0.10 0.99 -0.92 0.00 0.00 175.35 175.24 1vle s THR 50 N -3.21 2.61 -0.23 2.17 2.01 -1.26 -1.76 115.64 115.98 1vle s THR 50 Ca 0.32 -1.02 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 1vle s THR 50 Cb 0.06 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 1vle s THR 50 CO 0.12 0.29 0.04 -0.36 -0.69 0.00 0.00 174.62 174.03 1vle s PHE 51 N 1.30 3.08 -0.02 4.92 0.40 0.12 -4.94 117.98 122.85 1vle s PHE 51 Ca 0.01 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 55.92 1vle s PHE 51 Cb -0.16 -2.17 0.00 0.00 0.51 0.00 0.00 43.02 41.20 1vle s PHE 51 CO -0.07 -0.28 0.05 -0.08 0.70 0.00 0.00 175.22 175.55 1vle s THR 52 N 1.30 0.01 0.84 0.64 -1.32 -1.26 -0.62 115.64 115.22 1vle s THR 52 Ca 0.04 -0.07 -0.12 0.00 -1.21 0.00 0.00 61.69 60.33 1vle s THR 52 Cb -0.15 -0.10 0.10 0.00 -1.51 0.00 0.00 72.50 70.84 1vle s THR 52 CO 0.03 -0.04 1.13 -2.16 -2.21 0.00 0.00 174.62 171.37 1vle s PRO 53 N -0.10 1.70 0.50 7.08 0.04 -1.26 -5.03 135.00 137.92 1vle s PRO 53 Ca -0.01 0.35 -0.22 0.00 0.04 0.00 0.00 61.00 61.16 1vle s PRO 53 Cb -0.01 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 1vle s PRO 53 CO 0.00 -1.83 1.20 -2.14 0.04 0.00 0.00 177.00 174.27 1vle s PRO 54 N -5.32 3.54 -1.37 0.56 0.02 -1.26 -4.87 135.00 126.30 1vle s PRO 54 Ca 0.62 1.84 -0.09 0.00 0.02 0.00 0.00 61.00 63.39 1vle s PRO 54 Cb -0.14 -2.29 -0.08 0.00 0.02 0.00 0.00 34.50 32.01 1vle s PRO 54 CO 0.52 -0.75 2.97 0.54 -0.33 0.00 0.00 177.00 179.95 1vle n ARG 55 N -0.78 3.59 -3.58 5.54 5.12 -1.26 -4.80 116.66 120.50 1vle n ARG 55 Ca 0.09 -2.22 -0.06 0.00 -1.93 0.00 0.00 57.85 53.73 1vle n ARG 55 Cb 0.48 -2.67 -0.02 0.00 -1.16 0.00 0.00 32.46 29.10 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 1.50 0.74 0.51 5.56 2.20 -1.26 -2.00 119.74 126.98 1vle s LYS 56 Ca 0.67 -0.32 0.08 0.00 -0.36 0.00 0.00 55.97 56.05 1vle s LYS 56 Cb 0.20 0.31 0.04 0.00 -1.51 0.00 0.00 37.83 36.87 1vle s LYS 56 CO -0.06 -0.33 0.56 0.95 -0.36 0.00 0.00 175.35 176.11 1vle s THR 57 N -2.94 2.27 0.15 3.43 -4.23 -0.33 -4.97 115.64 109.02 1vle s THR 57 Ca 0.08 -1.21 0.03 0.00 -1.18 0.00 0.00 61.69 59.41 1vle s THR 57 Cb -0.01 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1vle s THR 57 CO -0.06 0.00 -0.05 -0.94 -0.54 0.00 0.00 174.62 173.03 1vle s SER 58 N -4.39 1.47 0.17 3.99 1.04 -1.26 -4.29 113.70 110.43 1vle s SER 58 Ca 0.50 -1.07 0.05 0.00 0.48 0.00 0.00 55.95 55.90 1vle s SER 58 Cb -0.05 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 1vle s SER 58 CO 0.31 -0.45 -0.08 0.27 0.98 0.00 0.00 173.24 174.26 1vle s ILE 59 N -3.50 1.19 0.46 -1.02 -4.36 -1.26 -4.50 121.20 108.20 1vle s ILE 59 Ca 0.18 -2.07 -0.02 0.00 -0.26 0.00 0.00 60.65 58.49 1vle s ILE 59 Cb 0.05 -1.97 -0.01 0.00 1.25 0.00 0.00 42.46 41.78 1vle s ILE 59 CO 0.01 -0.65 0.71 0.00 0.24 0.00 0.00 174.94 175.25 1vle s ALA 60 N -3.32 3.60 0.19 2.27 0.00 -0.70 -4.43 121.76 119.37 1vle s ALA 60 Ca 0.20 -0.86 -0.17 0.00 0.00 0.00 0.00 51.96 51.13 1vle s ALA 60 Cb 0.03 -2.30 0.16 0.00 0.00 0.00 0.00 23.12 21.01 1vle s ALA 60 CO 0.03 -0.38 1.63 -1.35 0.00 0.00 0.00 175.76 175.69 1vle h PRO 61 N 0.33 -0.06 0.00 0.00 0.11 -1.93 -1.45 132.00 129.00 1vle h PRO 61 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1vle h PRO 61 Cb 1.24 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1vle h PRO 61 CO 0.59 -0.04 -0.01 0.10 -0.21 0.00 0.00 178.00 178.44 1vle h TYR 62 N -0.06 0.00 0.16 0.65 -0.00 -1.91 -2.18 116.97 113.63 1vle h TYR 62 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 58.73 58.64 1vle h TYR 62 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.18 1vle h TYR 62 CO -0.49 0.01 -1.70 1.15 -0.00 0.00 0.00 178.16 177.13 1vle h THR 63 N 0.00 0.98 -0.96 -0.90 2.02 -1.64 -2.88 112.91 109.54 1vle h THR 63 Ca -0.00 -2.59 0.12 0.00 0.77 0.00 0.00 66.41 64.70 1vle h THR 63 Cb 0.22 2.74 -0.08 0.00 -1.74 0.00 0.00 68.15 69.30 1vle h THR 63 CO 0.00 0.84 0.61 0.00 0.37 0.00 0.00 175.52 177.34 1vle h ALA 64 N 0.25 1.60 -0.53 6.16 0.00 -0.71 -0.96 119.26 125.08 1vle h ALA 64 Ca -0.32 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.33 1vle h ALA 64 Cb 2.07 -0.20 -0.16 0.00 0.00 0.00 0.00 17.79 19.50 1vle h ALA 64 CO 0.17 0.17 0.12 0.41 0.00 0.00 0.00 179.25 180.11 1vle n GLY 65 N -1.38 4.78 0.24 0.00 0.00 -1.07 -4.66 105.19 103.10 1vle n GLY 65 Ca 0.18 -1.19 0.09 0.00 0.00 0.00 0.00 46.02 45.09 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 1.03 0.00 -0.74 1.61 3.57 -0.94 -2.79 116.94 118.68 1vle h PHE 66 Ca 0.33 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.92 1vle h PHE 66 Cb 1.99 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.68 1vle h PHE 66 CO 1.19 0.19 0.49 -0.22 -2.23 0.00 0.00 178.31 177.73 1vle h LYS 67 N 0.00 0.66 0.00 1.11 3.64 -1.83 0.59 116.57 120.74 1vle h LYS 67 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1vle h LYS 67 Cb 0.41 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1vle h LYS 67 CO 0.02 0.44 0.00 -1.13 -2.27 0.00 0.00 179.45 176.51 1vle n SER 68 N -4.49 0.58 0.01 4.20 3.41 -1.05 -2.14 113.62 114.14 1vle n SER 68 Ca 0.12 0.68 -0.22 0.00 -0.26 0.00 0.00 58.87 59.19 1vle n SER 68 Cb 0.31 -0.79 -0.14 0.00 -0.26 0.00 0.00 64.21 63.33 1vle n SER 68 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1vle h MET 69 N 0.00 0.27 -0.46 4.33 2.86 -1.05 -3.08 114.93 117.80 1vle h MET 69 Ca 0.00 -0.47 0.03 0.00 -2.06 0.00 0.00 59.70 57.21 1vle h MET 69 Cb 0.25 0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 1vle h MET 69 CO 0.00 1.22 0.24 0.82 1.06 0.00 0.00 176.91 180.26 1vle h ILE 70 N 0.05 0.99 -0.95 -1.22 2.04 -1.08 -2.42 117.51 114.92 1vle h ILE 70 Ca -0.42 -0.17 -0.59 0.00 1.00 0.00 0.00 64.86 64.69 1vle h ILE 70 Cb 2.02 0.46 -0.29 0.00 -0.74 0.00 0.00 36.82 38.27 1vle h ILE 70 CO 0.09 0.09 0.66 -1.22 0.00 0.00 0.00 178.15 177.77 1vle n TYR 71 N -4.88 3.04 -2.43 1.37 4.01 -0.91 -4.95 117.16 112.41 1vle n TYR 71 Ca 0.03 -2.52 -0.36 0.00 -0.16 0.00 0.00 57.90 54.89 1vle n TYR 71 Cb 0.10 -1.17 -0.03 0.00 -0.31 0.00 0.00 39.34 37.93 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 -1.79 6.47 0.00 7.72 0.15 -0.91 -4.92 113.70 120.41 1vle s SER 72 Ca 0.60 2.13 0.30 0.00 0.70 0.00 0.00 55.95 59.68 1vle s SER 72 Cb 0.49 -2.59 1.44 0.00 -1.71 0.00 0.00 66.02 63.65 1vle s SER 72 CO 0.03 -0.70 2.01 -0.90 1.20 0.00 0.00 173.24 174.88 1vle n ASP 73 N -0.35 0.07 -1.01 5.45 5.75 -1.26 -2.54 116.55 122.67 1vle n ASP 73 Ca 0.06 -0.15 0.12 0.00 -0.01 0.00 0.00 54.79 54.81 1vle n ASP 73 Cb 0.49 -0.27 0.24 0.00 -1.03 0.00 0.00 41.12 40.56 1vle n ASP 73 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1vle n LEU 74 N -1.26 3.02 -4.76 -2.12 4.77 -1.26 -4.93 117.00 110.46 1vle n LEU 74 Ca 0.14 -1.27 -0.41 0.00 -0.03 0.00 0.00 56.01 54.43 1vle n LEU 74 Cb 0.26 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1vle n LEU 74 CO 0.24 0.64 1.13 -0.60 -1.33 0.00 0.00 177.39 177.46 1vle s ARG 75 N -1.60 4.20 -0.23 3.23 6.06 -1.05 0.17 118.95 129.73 1vle s ARG 75 Ca 0.37 2.44 -0.29 0.00 -2.50 0.00 0.00 55.73 55.75 1vle s ARG 75 Cb 0.21 -3.03 -0.03 0.00 0.06 0.00 0.00 34.95 32.16 1vle s ARG 75 CO 0.30 -0.47 1.69 0.42 -2.50 0.00 0.00 175.30 174.75 1vle s ILE 76 N -0.58 3.60 0.30 4.11 1.01 -0.50 -4.70 121.20 124.44 1vle s ILE 76 Ca 0.56 0.66 0.12 0.00 0.00 0.00 0.00 60.65 62.00 1vle s ILE 76 Cb -0.44 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.42 1vle s ILE 76 CO 0.53 -0.29 1.71 1.55 0.00 0.00 0.00 174.94 178.44 1vle h PRO 77 N 11.26 0.00 -1.48 2.79 0.13 -1.90 -3.43 132.00 139.36 1vle h PRO 77 Ca -0.35 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 65.09 1vle h PRO 77 Cb 1.16 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 1vle h PRO 77 CO 1.00 0.50 0.81 1.52 -0.23 0.00 0.00 178.00 181.61 1vle s TYR 78 N -3.83 -0.07 0.23 1.56 -0.85 -1.26 -0.70 117.35 112.44 1vle s TYR 78 Ca -0.02 -0.03 -0.31 0.00 -0.52 0.00 0.00 57.07 56.19 1vle s TYR 78 Cb 0.13 0.54 -0.14 0.00 0.38 0.00 0.00 41.96 42.87 1vle s TYR 78 CO 0.74 -0.28 1.26 -2.30 -1.52 0.00 0.00 175.55 173.46 1vle n PRO 79 N -0.40 1.66 -4.27 -3.49 -0.02 -1.26 -4.67 135.00 122.55 1vle n PRO 79 Ca -0.07 0.59 -0.21 0.00 -2.02 0.00 0.00 63.50 61.79 1vle n PRO 79 Cb 0.62 -2.15 -0.12 0.00 -0.02 0.00 0.00 33.50 31.83 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 -0.65 1.10 -0.01 -0.52 -1.94 -0.48 -2.14 119.30 114.65 1vle s MET 80 Ca 0.68 -1.22 0.02 0.00 -1.71 0.00 0.00 55.69 53.46 1vle s MET 80 Cb -0.72 -1.17 -0.00 0.00 2.01 0.00 0.00 34.83 34.95 1vle s MET 80 CO 0.53 0.25 -0.07 0.21 -0.01 0.00 0.00 175.02 175.93 1vle s LYS 81 N -2.32 0.65 -0.03 2.03 2.20 0.27 -0.59 119.74 121.95 1vle s LYS 81 Ca 0.08 -0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.15 1vle s LYS 81 Cb -0.08 -0.63 -0.05 0.00 -1.51 0.00 0.00 37.83 35.56 1vle s LYS 81 CO 0.04 0.13 1.43 0.50 -0.36 0.00 0.00 175.35 177.09 1vle s ARG 82 N -0.02 4.26 0.16 4.03 3.52 0.14 -0.06 118.95 130.99 1vle s ARG 82 Ca 0.01 1.97 -0.16 0.00 -0.13 0.00 0.00 55.73 57.42 1vle s ARG 82 Cb -0.05 -3.66 0.11 0.00 -1.56 0.00 0.00 34.95 29.79 1vle s ARG 82 CO -0.00 -0.64 1.71 0.87 -0.81 0.00 0.00 175.30 176.43 1vle h LYS 83 N 8.15 0.14 0.00 5.12 1.57 -1.49 -2.12 116.57 127.94 1vle h LYS 83 Ca -0.37 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1vle h LYS 83 Cb 1.17 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1vle h LYS 83 CO 0.92 0.09 0.00 -1.13 -0.57 0.00 0.00 179.45 178.76 1vle n SER 84 N -5.15 0.00 -4.50 0.86 3.41 -1.26 -4.68 113.62 102.30 1vle n SER 84 Ca 0.03 -0.60 -0.38 0.00 -0.26 0.00 0.00 58.87 57.65 1vle n SER 84 Cb 0.20 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.03 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 3.19 -0.24 7.33 5.36 -0.80 -4.28 117.98 126.54 1vle s PHE 85 Ca 0.22 -0.29 0.01 0.00 -0.96 0.00 0.00 56.93 55.92 1vle s PHE 85 Cb 0.10 -2.37 0.06 0.00 -0.34 0.00 0.00 43.02 40.47 1vle s PHE 85 CO 0.17 -0.34 -0.05 0.34 -1.46 0.00 0.00 175.22 173.88 1vle s ASP 86 N 1.68 3.93 0.29 6.13 2.15 -0.73 -4.86 116.67 125.25 1vle s ASP 86 Ca 0.06 -1.22 0.04 0.00 0.43 0.00 0.00 52.55 51.86 1vle s ASP 86 Cb -0.17 -1.22 0.71 0.00 -0.30 0.00 0.00 42.92 41.95 1vle s ASP 86 CO 0.08 -0.24 1.74 -0.65 -0.17 0.00 0.00 175.17 175.93 1vle h PRO 87 N 7.93 0.56 -0.81 4.34 0.11 -1.96 -1.03 132.00 141.14 1vle h PRO 87 Ca -0.18 -0.03 -0.30 0.00 0.11 0.00 0.00 66.00 65.60 1vle h PRO 87 Cb 1.07 -0.13 -0.18 0.00 0.11 0.00 0.00 31.00 31.87 1vle h PRO 87 CO 0.42 0.37 0.38 0.09 -0.21 0.00 0.00 178.00 179.05 1vle n ASN 88 N -4.90 4.47 0.00 -2.05 4.13 -1.26 -4.94 115.26 110.72 1vle n ASN 88 Ca 0.22 -3.35 0.00 0.00 1.68 0.00 0.00 54.58 53.13 1vle n ASN 88 Cb 0.59 -0.77 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 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 -0.47 3.56 3.64 7.41 0.00 -0.39 -5.10 105.19 113.83 1vle n GLY 89 Ca 0.46 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 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 3.98 0.27 1.61 0.41 -1.25 -4.81 118.70 123.48 1vle s GLU 90 Ca 0.00 1.46 0.24 0.00 -0.41 0.00 0.00 54.97 56.27 1vle s GLU 90 Cb 0.00 -3.88 0.48 0.00 -1.78 0.00 0.00 34.13 28.95 1vle s GLU 90 CO 0.00 -1.04 1.56 0.00 -0.49 0.00 0.00 175.26 175.29 1vle h ARG 91 N 9.28 0.00 -6.83 1.61 3.08 -1.83 -1.94 114.38 117.76 1vle h ARG 91 Ca -0.28 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.23 1vle h ARG 91 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1vle h ARG 91 CO 1.01 0.00 -1.04 0.09 -1.07 0.00 0.00 179.97 178.95 1vle n ASN 92 N -2.56 -4.51 -0.30 7.04 3.02 -1.26 -4.45 115.26 112.24 1vle n ASN 92 Ca 0.04 -1.14 0.04 0.00 -0.03 0.00 0.00 54.58 53.49 1vle n ASN 92 Cb 0.48 -1.72 0.25 0.00 -0.61 0.00 0.00 39.78 38.18 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 -1.53 0.98 0.00 3.52 0.11 -1.90 -1.76 132.00 131.42 1vle h PRO 93 Ca -0.67 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.38 1vle h PRO 93 Cb 1.40 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1vle h PRO 93 CO 0.45 0.65 0.00 0.00 -0.21 0.00 0.00 178.00 178.89 1vle n GLN 94 N -4.49 0.06 -0.01 1.05 0.00 -1.26 -2.35 117.38 110.39 1vle n GLN 94 Ca 0.14 0.48 0.13 0.00 0.00 0.00 0.00 57.00 57.74 1vle n GLN 94 Cb 0.20 -1.67 0.26 0.00 0.00 0.00 0.00 30.24 29.02 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 -1.80 2.47 -4.73 2.61 4.77 -0.66 -4.82 117.00 114.84 1vle n LEU 95 Ca 0.01 -0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 54.73 1vle n LEU 95 Cb 0.07 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1vle n LEU 95 CO 0.08 0.42 1.11 -0.13 -1.33 0.00 0.00 177.39 177.54 1vle s ARG 96 N -1.97 4.28 0.00 3.23 0.52 -0.99 -1.17 118.95 122.85 1vle s ARG 96 Ca 0.32 2.21 0.00 0.00 -0.52 0.00 0.00 55.73 57.74 1vle s ARG 96 Cb 0.20 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.49 1vle s ARG 96 CO 0.31 -0.46 0.00 0.41 0.02 0.00 0.00 175.30 175.58 1vle n GLY 97 N 3.14 0.89 0.23 -3.53 0.00 -1.21 -4.77 105.19 99.94 1vle n GLY 97 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 0.74 -0.75 4.61 0.00 -1.43 -0.02 119.26 122.41 1vle h ALA 98 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1vle h ALA 98 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1vle h ALA 98 CO 0.00 -0.16 0.46 0.78 0.00 0.00 0.00 179.25 180.33 1vle h GLY 99 N 0.44 1.07 1.21 0.00 0.00 -1.80 -1.29 103.07 102.70 1vle h GLY 99 Ca 0.28 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 1vle h GLY 99 CO -0.26 0.42 0.06 -2.00 0.00 0.00 0.00 176.54 174.76 1vle h LEU 100 N 1.03 0.92 -2.01 3.11 5.85 -1.38 0.58 115.31 123.40 1vle h LEU 100 Ca 0.27 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1vle h LEU 100 Cb -0.06 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.72 1vle h LEU 100 CO -0.05 0.95 -0.02 0.28 -0.34 0.00 0.00 178.44 179.26 1vle h SER 101 N 0.90 0.00 -0.31 1.25 0.02 0.11 -1.79 113.55 113.73 1vle h SER 101 Ca 0.18 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 1vle h SER 101 Cb 0.45 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.92 1vle h SER 101 CO 0.02 0.02 -0.02 2.29 -1.14 0.00 0.00 176.83 177.99 1vle n LYS 102 N -3.14 2.26 -3.88 3.45 2.85 -0.92 -4.17 118.16 114.61 1vle n LYS 102 Ca -0.01 -3.01 -0.30 0.00 -1.05 0.00 0.00 58.31 53.94 1vle n LYS 102 Cb 0.22 -1.82 0.03 0.00 -0.65 0.00 0.00 35.03 32.81 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 -0.89 -5.53 -2.85 -1.58 3.00 -0.67 -4.92 117.38 103.93 1vle n GLN 103 Ca 0.28 0.60 -0.11 0.00 -0.01 0.00 0.00 57.00 57.77 1vle n GLN 103 Cb 0.97 -5.50 0.02 0.00 0.00 0.00 0.00 30.24 25.73 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 -2.82 -2.36 -0.06 1.08 2.03 0.20 -5.00 116.55 109.62 1vle n ASP 104 Ca 0.04 -3.11 -0.07 0.00 0.52 0.00 0.00 54.79 52.17 1vle n ASP 104 Cb 0.53 1.30 -0.01 0.00 -0.72 0.00 0.00 41.12 42.22 1vle n ASP 104 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1vle h PRO 105 N 4.21 -0.19 -0.91 -0.67 0.11 -1.87 -3.05 132.00 129.63 1vle h PRO 105 Ca -0.07 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.14 1vle h PRO 105 Cb 1.01 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.09 1vle h PRO 105 CO 0.31 -0.13 0.55 -1.49 -0.21 0.00 0.00 178.00 177.04 1vle h TRP 106 N -0.20 1.02 0.00 0.65 4.06 -1.96 -2.30 115.95 117.22 1vle h TRP 106 Ca 0.15 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.13 1vle h TRP 106 Cb 0.42 -0.32 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 1vle h TRP 106 CO -0.38 0.46 0.33 0.66 -3.56 0.00 0.00 178.44 175.94 1vle h SER 107 N 0.95 0.00 1.71 -3.49 4.64 -1.92 0.12 113.55 115.55 1vle h SER 107 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1vle h SER 107 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1vle h SER 107 CO -0.22 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.18 1vle h ASP 108 N 0.00 0.00 -3.80 4.97 5.19 -1.57 -3.47 116.42 117.74 1vle h ASP 108 Ca 0.00 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.73 1vle h ASP 108 Cb 0.65 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 39.97 1vle h ASP 108 CO 0.00 0.00 -0.79 -0.31 -3.12 0.00 0.00 179.24 175.02 1vle s TYR 109 N -3.17 2.59 0.20 4.55 1.51 0.40 -1.19 117.35 122.25 1vle s TYR 109 Ca 0.09 -0.23 0.11 0.00 -1.01 0.00 0.00 57.07 56.02 1vle s TYR 109 Cb 0.09 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 1vle s TYR 109 CO 0.63 0.33 -0.20 -1.83 -1.11 0.00 0.00 175.55 173.37 1vle s GLU 110 N -1.81 1.67 0.09 -0.62 -1.05 0.91 -4.88 118.70 113.01 1vle s GLU 110 Ca 0.17 -1.50 -0.21 0.00 -0.15 0.00 0.00 54.97 53.28 1vle s GLU 110 Cb -0.11 -1.91 -0.07 0.00 -0.44 0.00 0.00 34.13 31.61 1vle s GLU 110 CO 0.08 0.40 0.63 0.50 0.95 0.00 0.00 175.26 177.82 1vle s ARG 111 N -2.83 4.31 0.13 -4.83 3.52 -1.26 -0.56 118.95 117.42 1vle s ARG 111 Ca 0.23 0.85 -0.01 0.00 -0.13 0.00 0.00 55.73 56.67 1vle s ARG 111 Cb -0.08 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1vle s ARG 111 CO 0.12 0.58 0.07 0.96 -0.81 0.00 0.00 175.30 176.22 1vle s ILE 112 N -0.99 0.10 0.65 4.11 -4.36 -0.91 -4.92 121.20 114.89 1vle s ILE 112 Ca 0.31 -1.88 -0.10 0.00 -0.26 0.00 0.00 60.65 58.72 1vle s ILE 112 Cb -0.20 -2.01 -0.01 0.00 1.25 0.00 0.00 42.46 41.49 1vle s ILE 112 CO 0.21 -0.48 1.04 -0.94 0.24 0.00 0.00 174.94 175.01 1vle s SER 113 N -3.04 5.82 0.21 4.36 1.04 -1.26 -4.03 113.70 116.80 1vle s SER 113 Ca 0.23 1.20 -0.10 0.00 0.48 0.00 0.00 55.95 57.76 1vle s SER 113 Cb 0.07 -2.14 0.15 0.00 0.10 0.00 0.00 66.02 64.20 1vle s SER 113 CO 0.01 -1.08 1.83 -0.50 0.98 0.00 0.00 173.24 174.48 1vle h TRP 114 N -0.43 1.02 -0.53 5.02 4.06 -1.97 0.44 115.95 123.57 1vle h TRP 114 Ca -0.45 -0.02 0.06 0.00 2.06 0.00 0.00 58.89 60.55 1vle h TRP 114 Cb 1.23 -0.33 -0.05 0.00 -1.00 0.00 0.00 29.16 29.00 1vle h TRP 114 CO 0.57 0.71 0.23 0.22 -3.56 0.00 0.00 178.44 176.60 1vle h ASP 115 N 1.04 0.29 -0.01 -3.49 3.58 -1.99 0.49 116.42 116.33 1vle h ASP 115 Ca 0.27 0.05 -0.25 0.00 0.42 0.00 0.00 57.03 57.51 1vle h ASP 115 Cb 0.01 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.08 1vle h ASP 115 CO -0.05 0.20 -0.96 -0.08 -2.88 0.00 0.00 179.24 175.47 1vle h GLU 116 N 0.44 0.70 0.05 0.28 4.81 -1.87 -2.45 114.58 116.55 1vle h GLU 116 Ca 0.25 -0.70 0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1vle h GLU 116 Cb 0.22 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1vle h GLU 116 CO -0.21 1.29 -0.11 0.00 -0.73 0.00 0.00 179.01 179.24 1vle h ALA 117 N 0.48 -0.17 0.00 2.92 0.00 -0.59 -1.00 119.26 120.90 1vle h ALA 117 Ca -0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1vle h ALA 117 Cb 1.61 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1vle h ALA 117 CO 0.19 -0.62 -0.31 1.79 0.00 0.00 0.00 179.25 180.30 1vle h THR 118 N -0.22 0.89 -0.41 0.00 1.35 -0.99 -2.20 112.91 111.34 1vle h THR 118 Ca 0.02 -1.20 -0.10 0.00 -0.55 0.00 0.00 66.41 64.59 1vle h THR 118 Cb 0.24 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 1vle h THR 118 CO -0.08 0.30 -0.12 0.44 -0.25 0.00 0.00 175.52 175.82 1vle h ASP 119 N 0.00 0.81 -0.53 5.36 5.19 -0.94 -0.48 116.42 125.82 1vle h ASP 119 Ca -0.00 -0.37 -0.06 0.00 -0.62 0.00 0.00 57.03 55.97 1vle h ASP 119 Cb 0.69 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1vle h ASP 119 CO 0.04 0.99 0.09 0.40 -3.12 0.00 0.00 179.24 177.65 1vle h ILE 120 N 0.61 1.25 -0.39 0.35 2.04 -0.91 -1.59 117.51 118.88 1vle h ILE 120 Ca 0.10 -0.94 -0.10 0.00 1.00 0.00 0.00 64.86 64.92 1vle h ILE 120 Cb 0.65 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1vle h ILE 120 CO 0.04 0.34 -0.14 0.58 0.00 0.00 0.00 178.15 178.98 1vle h VAL 121 N 0.76 1.28 -0.82 1.67 2.07 -1.32 -2.59 116.25 117.30 1vle h VAL 121 Ca 0.16 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 1vle h VAL 121 Cb 0.40 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1vle h VAL 121 CO 0.01 0.41 0.49 0.58 0.02 0.00 0.00 177.57 179.09 1vle h VAL 122 N 0.58 1.23 -0.65 2.57 2.07 -0.95 -0.64 116.25 120.45 1vle h VAL 122 Ca 0.09 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1vle h VAL 122 Cb 0.67 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1vle h VAL 122 CO 0.05 0.24 0.24 0.00 0.02 0.00 0.00 177.57 178.12 1vle h ALA 123 N 1.27 1.20 -0.17 1.67 0.00 -1.18 -1.09 119.26 120.94 1vle h ALA 123 Ca 0.30 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1vle h ALA 123 Cb -0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1vle h ALA 123 CO -0.06 0.58 -0.11 0.93 0.00 0.00 0.00 179.25 180.60 1vle h GLU 124 N 0.95 0.37 -0.05 0.00 4.39 -1.03 -1.27 114.58 117.94 1vle h GLU 124 Ca 0.22 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.78 1vle h GLU 124 Cb 0.21 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1vle h GLU 124 CO -0.02 0.70 -0.16 0.82 -1.16 0.00 0.00 179.01 179.20 1vle h ILE 125 N 0.04 0.60 -0.13 3.13 2.04 -0.86 -0.28 117.51 122.04 1vle h ILE 125 Ca 0.03 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.78 1vle h ILE 125 Cb 0.60 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1vle h ILE 125 CO 0.03 0.00 -0.44 0.78 0.00 0.00 0.00 178.15 178.52 1vle h ASN 126 N -0.24 0.33 -0.43 1.72 2.35 -1.25 -0.73 115.58 117.33 1vle h ASN 126 Ca 0.07 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 1vle h ASN 126 Cb 0.33 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1vle h ASN 126 CO -0.19 0.73 -0.15 -0.09 -1.65 0.00 0.00 177.43 176.09 1vle h ARG 127 N 0.26 0.86 -0.27 0.81 2.43 -0.95 -2.78 114.38 114.74 1vle h ARG 127 Ca 0.02 -0.35 -0.14 0.00 -0.81 0.00 0.00 59.98 58.70 1vle h ARG 127 Cb 0.88 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1vle h ARG 127 CO 0.07 0.99 -0.37 0.82 -1.51 0.00 0.00 179.97 179.97 1vle h ILE 128 N 0.69 1.30 -0.66 1.20 2.04 -0.90 -2.58 117.51 118.61 1vle h ILE 128 Ca 0.10 -1.56 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 1vle h ILE 128 Cb 0.70 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 1vle h ILE 128 CO 0.05 0.50 0.31 0.11 0.00 0.00 0.00 178.15 179.12 1vle h LYS 129 N 0.46 0.93 0.00 2.37 1.57 -1.15 0.52 116.57 121.28 1vle h LYS 129 Ca 0.03 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1vle h LYS 129 Cb 0.96 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1vle h LYS 129 CO 0.09 0.72 -0.30 0.45 -0.57 0.00 0.00 179.45 179.84 1vle h HIS 130 N 0.93 0.00 0.03 -1.35 3.86 -1.50 -1.36 115.15 115.76 1vle h HIS 130 Ca 0.23 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 59.08 1vle h HIS 130 Cb 0.10 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.52 1vle h HIS 130 CO 0.01 0.20 -2.20 0.00 0.86 0.00 0.00 177.93 176.80 1vle n ALA 131 N -2.16 1.32 0.00 2.45 0.00 -0.97 -4.78 120.51 116.37 1vle n ALA 131 Ca 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1vle n ALA 131 Cb 0.62 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1vle n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1vle n TYR 132 N -3.16 0.00 0.00 0.00 4.01 0.17 -5.08 117.16 113.10 1vle n TYR 132 Ca -0.34 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 1vle n TYR 132 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 1vle n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vle n GLY 133 N 1.86 2.07 0.35 2.72 0.00 -0.51 -4.57 105.19 107.11 1vle n GLY 133 Ca 0.00 -2.00 0.13 0.00 0.00 0.00 0.00 46.02 44.15 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 0.30 0.00 1.61 0.11 -1.86 -1.70 132.00 130.47 1vle h PRO 134 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1vle h PRO 134 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1vle h PRO 134 CO 0.00 0.20 0.00 0.66 -0.21 0.00 0.00 178.00 178.65 1vle h SER 135 N 0.31 0.00 0.45 -2.05 4.64 -1.86 -1.81 113.55 113.24 1vle h SER 135 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1vle h SER 135 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1vle h SER 135 CO -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 1vle n ALA 136 N -1.97 2.32 -3.45 5.18 0.00 -0.64 -4.22 120.51 117.74 1vle n ALA 136 Ca -0.01 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 1vle n ALA 136 Cb 0.16 -1.42 -0.06 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 -2.53 4.72 0.41 0.00 1.01 -0.68 -0.46 121.20 123.66 1vle s ILE 137 Ca 0.26 -1.83 -0.23 0.00 0.00 0.00 0.00 60.65 58.85 1vle s ILE 137 Cb 0.17 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.50 1vle s ILE 137 CO 0.39 -0.85 0.97 -0.22 0.00 0.00 0.00 174.94 175.24 1vle s LEU 138 N 1.23 4.06 -0.07 2.97 2.96 0.11 -0.94 118.68 128.99 1vle s LEU 138 Ca 0.07 1.81 -0.30 0.00 -0.22 0.00 0.00 54.13 55.49 1vle s LEU 138 Cb -0.25 -4.36 0.09 0.00 0.50 0.00 0.00 46.19 42.17 1vle s LEU 138 CO -0.00 -0.36 0.79 -0.55 -1.32 0.00 0.00 176.35 174.90 1vle s SER 139 N -1.92 -0.54 -0.29 3.68 0.15 -0.54 0.42 113.70 114.66 1vle s SER 139 Ca 0.59 0.52 -0.25 0.00 0.70 0.00 0.00 55.95 57.51 1vle s SER 139 Cb -0.14 0.46 0.16 0.00 -1.71 0.00 0.00 66.02 64.79 1vle s SER 139 CO 0.19 -0.55 1.29 0.28 1.20 0.00 0.00 173.24 175.64 1vle s THR 140 N -1.48 0.00 0.00 6.45 -1.32 -1.14 -2.55 115.64 115.59 1vle s THR 140 Ca -0.06 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1vle s THR 140 Cb -0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1vle s THR 140 CO 0.04 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.64 1vle n PRO 141 N 1.78 1.10 -4.10 7.08 -0.04 -1.26 -2.30 135.00 137.26 1vle n PRO 141 Ca -0.11 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.20 1vle n PRO 141 Cb 0.57 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.98 1vle n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vle s SER 142 N -1.00 1.03 0.22 3.54 0.15 -1.26 -4.80 113.70 111.58 1vle s SER 142 Ca 0.00 -1.53 -0.08 0.00 0.70 0.00 0.00 55.95 55.04 1vle s SER 142 Cb 0.00 0.67 0.29 0.00 -1.71 0.00 0.00 66.02 65.27 1vle s SER 142 CO 0.00 -1.31 1.81 0.28 1.20 0.00 0.00 173.24 175.22 1vle h SER 143 N 2.09 0.57 -1.73 5.45 0.02 -1.99 -3.44 113.55 114.51 1vle h SER 143 Ca -0.28 0.04 -0.55 0.00 -0.84 0.00 0.00 61.79 60.16 1vle h SER 143 Cb 1.24 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 63.63 1vle h SER 143 CO 0.38 0.36 -0.51 -1.00 -1.14 0.00 0.00 176.83 174.92 1vle s HIS 144 N -6.08 2.65 0.18 3.45 3.76 -1.26 -5.10 115.29 112.90 1vle s HIS 144 Ca -0.13 -0.48 -0.20 0.00 -0.15 0.00 0.00 55.06 54.10 1vle s HIS 144 Cb 0.17 -1.81 0.04 0.00 1.11 0.00 0.00 32.58 32.10 1vle s HIS 144 CO 0.77 0.25 0.56 -1.58 -0.85 0.00 0.00 174.74 173.88 1vle s HIS 145 N -2.51 -0.29 0.40 1.40 5.04 -1.26 -5.06 115.29 113.01 1vle s HIS 145 Ca 0.40 -0.01 -0.26 0.00 -1.54 0.00 0.00 55.06 53.65 1vle s HIS 145 Cb 0.00 0.48 -0.10 0.00 0.04 0.00 0.00 32.58 33.00 1vle s HIS 145 CO 0.23 -0.91 1.29 -1.33 -2.34 0.00 0.00 174.74 171.68 1vle n MET 146 N -0.36 2.02 -1.91 2.88 2.81 -1.26 -4.82 117.12 116.49 1vle n MET 146 Ca -0.13 0.72 -0.40 0.00 -1.81 0.00 0.00 57.70 56.08 1vle n MET 146 Cb 0.63 -2.40 0.01 0.00 -0.71 0.00 0.00 33.22 30.75 1vle n MET 146 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 1vle s TRP 147 N -1.17 2.62 0.00 2.03 -0.00 -1.26 -4.75 118.94 116.40 1vle s TRP 147 Ca 0.59 1.32 0.00 0.00 -0.00 0.00 0.00 56.10 58.01 1vle s TRP 147 Cb -0.52 -3.82 0.00 0.00 -0.00 0.00 0.00 33.47 29.13 1vle s TRP 147 CO 0.59 -2.59 0.00 0.41 -0.00 0.00 0.00 176.95 175.37 1vle n GLY 148 N 0.61 2.96 0.18 5.86 0.00 -1.26 -4.73 105.19 108.81 1vle n GLY 148 Ca 0.04 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 0.53 -0.41 1.61 4.21 -1.64 0.12 115.58 120.00 1vle h ASN 149 Ca 0.00 -0.23 -0.05 0.00 1.21 0.00 0.00 56.30 57.23 1vle h ASN 149 Cb 0.00 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.05 1vle h ASN 149 CO 0.00 0.62 0.05 0.58 -1.29 0.00 0.00 177.43 177.39 1vle h VAL 150 N 0.41 1.25 -0.00 2.81 2.07 -1.95 -3.07 116.25 117.76 1vle h VAL 150 Ca 0.11 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1vle h VAL 150 Cb 0.30 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1vle h VAL 150 CO 0.00 0.31 -0.19 0.61 0.02 0.00 0.00 177.57 178.32 1vle n GLY 151 N -0.47 -1.21 3.63 2.17 0.00 -1.20 -3.18 105.19 104.93 1vle n GLY 151 Ca -0.01 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1vle n GLY 151 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1vle n TYR 152 N -1.29 0.82 0.13 1.61 9.36 0.42 -4.44 117.16 123.78 1vle n TYR 152 Ca 0.09 0.40 0.18 0.00 3.32 0.00 0.00 57.90 61.89 1vle n TYR 152 Cb 0.32 -2.10 0.76 0.00 -0.63 0.00 0.00 39.34 37.68 1vle n TYR 152 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1vle h ARG 153 N -0.17 0.00 0.00 2.98 0.11 -1.90 0.15 114.38 115.55 1vle h ARG 153 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1vle h ARG 153 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 1vle h ARG 153 CO 0.48 0.00 0.00 0.45 0.10 0.00 0.00 179.97 181.00 1vle h HIS 154 N 0.00 0.00 0.00 4.08 3.86 -1.90 -2.90 115.15 118.29 1vle h HIS 154 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1vle h HIS 154 Cb 0.69 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 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 -2.69 0.00 0.19 2.45 2.88 0.44 -4.50 113.62 112.38 1vle n SER 155 Ca 0.04 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.44 1vle n SER 155 Cb 0.44 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.82 1vle n SER 155 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1vle h THR 156 N 0.00 0.65 -0.27 2.46 2.02 -1.31 -1.76 112.91 114.71 1vle h THR 156 Ca 0.00 -0.37 0.06 0.00 0.77 0.00 0.00 66.41 66.87 1vle h THR 156 Cb 0.00 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 67.19 1vle h THR 156 CO 0.00 0.07 -0.17 0.22 0.37 0.00 0.00 175.52 176.01 1vle h TYR 157 N -0.69 -0.43 -0.52 3.16 3.20 -1.70 -2.33 116.97 117.66 1vle h TYR 157 Ca -0.05 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1vle h TYR 157 Cb 0.48 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1vle h TYR 157 CO -0.00 -0.24 0.07 0.74 -1.64 0.00 0.00 178.16 177.09 1vle h PHE 158 N -0.15 0.92 -0.95 -3.82 0.05 -1.56 -0.52 116.94 110.92 1vle h PHE 158 Ca 0.14 -0.13 0.06 0.00 3.82 0.00 0.00 57.97 61.86 1vle h PHE 158 Cb 0.37 -0.25 -0.06 0.00 2.00 0.00 0.00 35.95 38.00 1vle h PHE 158 CO -0.35 0.83 0.61 -0.09 -0.18 0.00 0.00 178.31 179.13 1vle h ARG 159 N 0.74 1.08 0.02 1.51 2.43 -1.05 -1.22 114.38 117.91 1vle h ARG 159 Ca 0.16 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1vle h ARG 159 Cb 0.42 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1vle h ARG 159 CO 0.01 0.72 -0.01 0.35 -1.51 0.00 0.00 179.97 179.53 1vle h PHE 160 N 1.12 -0.03 -0.87 2.20 3.57 -1.28 -3.30 116.94 118.35 1vle h PHE 160 Ca 0.41 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.96 1vle h PHE 160 Cb 0.14 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 1vle h PHE 160 CO -0.01 0.71 0.57 0.52 -2.23 0.00 0.00 178.31 177.87 1vle h MET 161 N -0.86 1.00 0.00 1.11 2.86 -1.03 -1.23 114.93 116.78 1vle h MET 161 Ca -0.00 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1vle h MET 161 Cb 0.75 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1vle h MET 161 CO 0.00 0.66 -0.08 -0.91 1.06 0.00 0.00 176.91 177.65 1vle h ASN 162 N 1.03 0.00 0.44 1.22 -0.26 -1.35 -0.19 115.58 116.46 1vle h ASN 162 Ca 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.10 1vle h ASN 162 Cb 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1vle h ASN 162 CO -0.12 0.08 -0.67 0.23 -1.06 0.00 0.00 177.43 175.88 1vle n MET 163 N -3.69 0.07 -0.04 0.81 2.81 -0.52 -4.60 117.12 111.96 1vle n MET 163 Ca -0.02 0.01 -0.05 0.00 -1.81 0.00 0.00 57.70 55.83 1vle n MET 163 Cb 0.18 -1.53 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 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 -1.62 0.27 0.00 0.03 0.00 -0.48 -5.10 117.12 110.23 1vle n MET 164 Ca 0.05 0.11 0.00 0.00 -0.00 0.00 0.00 57.70 57.85 1vle n MET 164 Cb 0.36 -0.94 0.00 0.00 0.00 0.00 0.00 33.22 32.64 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 1.91 1.58 3.59 -5.12 0.00 -0.20 -4.93 105.19 102.01 1vle n GLY 165 Ca -0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.33 1.61 -0.12 -1.25 -4.80 117.98 117.01 1vle s PHE 166 Ca 0.00 -0.01 -0.11 0.00 -0.05 0.00 0.00 56.93 56.75 1vle s PHE 166 Cb 0.00 0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1vle s PHE 166 CO 0.00 -0.09 0.20 0.99 -0.05 0.00 0.00 175.22 176.27 1vle s THR 167 N -2.15 4.99 0.07 -4.49 2.01 -0.12 -4.42 115.64 111.54 1vle s THR 167 Ca 0.14 -0.30 -0.19 0.00 0.31 0.00 0.00 61.69 61.65 1vle s THR 167 Cb 0.05 -3.55 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 1vle s THR 167 CO -0.05 0.03 0.56 -0.47 -0.69 0.00 0.00 174.62 174.00 1vle s TYR 168 N 1.68 3.80 -1.11 4.92 5.04 -1.26 -1.46 117.35 128.95 1vle s TYR 168 Ca 0.05 1.25 -0.11 0.00 -2.44 0.00 0.00 57.07 55.82 1vle s TYR 168 Cb -0.17 -2.48 0.23 0.00 0.35 0.00 0.00 41.96 39.89 1vle s TYR 168 CO 0.09 0.58 1.19 0.00 -1.34 0.00 0.00 175.55 176.07 1vle s ALA 169 N -1.13 4.39 0.43 3.97 0.00 -1.06 -1.38 121.76 126.98 1vle s ALA 169 Ca 0.29 -3.60 -0.24 0.00 0.00 0.00 0.00 51.96 48.41 1vle s ALA 169 Cb -0.19 -3.77 -0.10 0.00 0.00 0.00 0.00 23.12 19.06 1vle s ALA 169 CO 0.19 -2.43 0.97 -3.47 0.00 0.00 0.00 175.76 171.02 1vle n ASP 170 N 3.93 1.05 -4.74 0.00 -0.08 -0.68 -4.30 116.55 111.73 1vle n ASP 170 Ca 0.27 1.01 -0.40 0.00 -1.51 0.00 0.00 54.79 54.16 1vle n ASP 170 Cb 0.41 -1.33 -0.05 0.00 2.34 0.00 0.00 41.12 42.49 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 -1.30 3.85 0.65 -0.67 3.76 -1.26 -1.91 115.29 118.41 1vle s HIS 171 Ca 0.64 1.73 -0.15 0.00 -0.15 0.00 0.00 55.06 57.13 1vle s HIS 171 Cb -0.55 -2.94 -0.00 0.00 1.11 0.00 0.00 32.58 30.19 1vle s HIS 171 CO 0.56 0.33 1.12 0.54 -0.85 0.00 0.00 174.74 176.44 1vle s ASN 172 N -0.46 5.12 -1.37 1.40 4.22 -1.26 -3.45 114.94 119.14 1vle s ASN 172 Ca 0.42 2.04 -0.13 0.00 -2.14 0.00 0.00 52.86 53.04 1vle s ASN 172 Cb -0.23 -2.56 -0.03 0.00 1.28 0.00 0.00 41.25 39.71 1vle s ASN 172 CO 0.28 -1.62 2.37 -0.81 -2.04 0.00 0.00 177.10 175.28 1vle n PRO 173 N -2.32 2.82 -0.27 3.55 -0.04 -1.26 -4.76 135.00 132.73 1vle n PRO 173 Ca 0.11 -2.30 -0.10 0.00 -0.04 0.00 0.00 63.50 61.16 1vle n PRO 173 Cb 0.52 -3.05 -0.08 0.00 -0.04 0.00 0.00 33.50 30.85 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 6.03 -1.73 -0.94 3.54 3.04 -1.98 0.34 116.42 124.72 1vle h ASP 174 Ca 0.62 0.25 0.21 0.00 -3.24 0.00 0.00 57.03 54.87 1vle h ASP 174 Cb 0.51 0.75 -0.08 0.00 -1.04 0.00 0.00 39.33 39.47 1vle h ASP 174 CO 1.84 -0.25 0.61 0.28 -2.04 0.00 0.00 179.24 179.68 1vle h SER 175 N -0.12 0.48 0.00 4.15 0.02 -2.01 -3.16 113.55 112.91 1vle h SER 175 Ca 0.11 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1vle h SER 175 Cb 0.40 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1vle h SER 175 CO -0.68 0.18 -1.35 0.79 -1.14 0.00 0.00 176.83 174.63 1vle n TRP 176 N -4.56 0.00 0.00 3.45 8.01 -0.53 -4.52 117.44 119.29 1vle n TRP 176 Ca 0.21 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.40 1vle n TRP 176 Cb 0.69 -0.22 0.00 0.00 -2.01 0.00 0.00 31.31 29.77 1vle n TRP 176 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1vle n GLU 177 N -1.79 0.00 -0.17 -0.99 -0.58 0.11 0.65 120.64 117.87 1vle n GLU 177 Ca -0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1vle n GLU 177 Cb 0.36 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.27 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 0.37 1.70 0.62 0.00 -0.17 0.11 103.07 105.70 1vle h GLY 178 Ca 0.00 0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.41 1vle h GLY 178 CO 0.00 -0.20 -0.35 1.49 0.00 0.00 0.00 176.54 177.48 1vle h TRP 179 N -0.01 0.39 0.20 5.60 4.06 -0.05 -0.98 115.95 125.17 1vle h TRP 179 Ca 0.25 -0.10 -0.01 0.00 2.06 0.00 0.00 58.89 61.10 1vle h TRP 179 Cb 0.39 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1vle h TRP 179 CO -0.44 0.65 -0.10 1.25 -3.56 0.00 0.00 178.44 176.24 1vle h HIS 180 N 0.29 -0.25 -0.00 0.49 2.76 -0.12 0.11 115.15 118.42 1vle h HIS 180 Ca 0.03 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1vle h HIS 180 Cb 0.76 0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.80 1vle h HIS 180 CO 0.02 0.12 -0.21 0.91 -1.30 0.00 0.00 177.93 177.47 1vle n TRP 181 N -4.96 0.00 0.03 5.26 7.02 0.25 -4.21 117.44 120.83 1vle n TRP 181 Ca -0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.41 1vle n TRP 181 Cb 0.25 -0.26 0.00 0.00 -2.42 0.00 0.00 31.31 28.87 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 1.40 -0.02 0.38 6.99 0.00 -0.43 -4.85 105.19 108.66 1vle n GLY 182 Ca 0.10 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.27 1vle n GLY 182 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vle h GLY 183 N 0.00 0.84 0.35 -0.02 0.00 -1.00 -2.28 103.07 100.96 1vle h GLY 183 Ca 0.00 -0.21 0.12 0.00 0.00 0.00 0.00 47.33 47.25 1vle h GLY 183 CO 0.00 0.06 0.44 1.98 0.00 0.00 0.00 176.54 179.02 1vle h MET 184 N 0.48 0.66 0.00 4.80 -1.53 -0.96 0.92 114.93 119.30 1vle h MET 184 Ca 0.40 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.62 1vle h MET 184 Cb 0.87 -0.15 0.00 0.00 -0.55 0.00 0.00 31.60 31.77 1vle h MET 184 CO -0.15 0.44 0.00 0.45 0.14 0.00 0.00 176.91 177.79 1vle h HIS 185 N 0.68 0.00 0.11 1.39 3.86 -1.70 0.29 115.15 119.79 1vle h HIS 185 Ca 0.43 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 59.27 1vle h HIS 185 Cb 0.53 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 1vle h HIS 185 CO -0.08 0.00 -2.05 -0.12 0.86 0.00 0.00 177.93 176.53 1vle n MET 186 N -2.93 0.75 0.00 2.45 0.00 0.22 -4.60 117.12 113.01 1vle n MET 186 Ca 0.01 0.25 0.00 0.00 0.00 0.00 0.00 57.70 57.95 1vle n MET 186 Cb 0.27 -1.69 0.00 0.00 0.00 0.00 0.00 33.22 31.80 1vle n MET 186 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 175.97 173.30 1vle n TRP 187 N -3.45 0.00 0.00 1.12 4.27 -0.60 -0.40 117.44 118.37 1vle n TRP 187 Ca -0.33 -0.08 0.00 0.00 -3.89 0.00 0.00 57.50 53.19 1vle n TRP 187 Cb 1.04 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.98 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 -0.08 0.89 3.13 -1.67 0.00 0.10 -4.31 105.19 103.25 1vle n GLY 188 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 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 12.02 -2.12 -0.14 1.61 3.01 -1.26 -4.23 117.46 126.35 1vle n PHE 189 Ca 0.00 0.61 0.10 0.00 1.01 0.00 0.00 57.45 59.16 1vle n PHE 189 Cb 0.00 -4.55 0.43 0.00 -0.01 0.00 0.00 39.48 35.35 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 -1.60 0.51 0.48 4.37 4.64 -1.90 0.51 113.55 120.57 1vle h SER 190 Ca -0.54 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1vle h SER 190 Cb 1.37 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1vle h SER 190 CO 0.57 0.31 0.00 -2.67 -0.87 0.00 0.00 176.83 174.17 1vle n TRP 191 N -4.48 0.00 -0.43 4.77 2.14 -1.14 -0.89 117.44 117.41 1vle n TRP 191 Ca 0.11 0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.72 1vle n TRP 191 Cb 0.33 -0.49 0.07 0.00 -0.81 0.00 0.00 31.31 30.40 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 -1.49 2.36 -2.87 -2.67 1.74 -0.02 -4.34 116.66 109.37 1vle n ARG 192 Ca 0.04 -1.96 -0.19 0.00 -0.77 0.00 0.00 57.85 54.96 1vle n ARG 192 Cb 0.17 -1.22 0.01 0.00 -1.02 0.00 0.00 32.46 30.39 1vle n ARG 192 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1vle n LEU 193 N -0.80 -1.79 0.00 0.55 4.77 -0.06 -2.21 117.00 117.46 1vle n LEU 193 Ca 0.07 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1vle n LEU 193 Cb 0.42 -2.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.04 1vle n LEU 193 CO 0.01 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1vle n GLY 194 N -1.14 2.12 3.86 -0.72 0.00 -0.09 -2.69 105.19 106.53 1vle n GLY 194 Ca -0.11 0.00 -0.31 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 -1.59 6.58 0.48 1.61 0.01 -0.94 -4.72 114.94 116.38 1vle s ASN 195 Ca 0.00 1.28 -0.09 0.00 -0.71 0.00 0.00 52.86 53.34 1vle s ASN 195 Cb 0.00 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.22 1vle s ASN 195 CO 0.00 -0.44 0.85 -2.16 -1.51 0.00 0.00 177.10 173.84 1vle s PRO 196 N -3.82 3.68 0.74 -0.60 0.04 -1.26 -4.69 135.00 129.09 1vle s PRO 196 Ca 0.54 0.47 -0.11 0.00 0.04 0.00 0.00 61.00 61.94 1vle s PRO 196 Cb -0.10 -2.30 0.03 0.00 0.04 0.00 0.00 34.50 32.17 1vle s PRO 196 CO 0.30 -0.22 1.07 -1.83 0.04 0.00 0.00 177.00 176.36 1vle s GLU 197 N -4.44 2.56 -0.00 4.56 -1.05 -1.26 -4.92 118.70 114.15 1vle s GLU 197 Ca 0.51 0.95 0.00 0.00 -0.15 0.00 0.00 54.97 56.28 1vle s GLU 197 Cb -0.10 -1.95 0.00 0.00 -0.44 0.00 0.00 34.13 31.64 1vle s GLU 197 CO 0.40 -1.36 0.63 1.04 0.95 0.00 0.00 175.26 176.92 1vle n GLN 198 N -3.31 0.67 -1.47 -4.83 1.13 -1.26 -4.81 117.38 103.50 1vle n GLN 198 Ca 0.08 -0.75 -0.43 0.00 -1.94 0.00 0.00 57.00 53.95 1vle n GLN 198 Cb 0.54 -0.62 -0.00 0.00 0.11 0.00 0.00 30.24 30.27 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 -0.12 -0.11 -2.56 1.08 4.02 -1.26 -3.01 117.16 115.20 1vle n TYR 199 Ca 0.00 0.68 -0.05 0.00 -0.01 0.00 0.00 57.90 58.53 1vle n TYR 199 Cb 0.45 -2.04 -0.00 0.00 -0.02 0.00 0.00 39.34 37.73 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 1.40 -1.78 0.10 7.72 10.43 -1.25 -1.87 116.55 131.30 1vle n ASP 200 Ca 0.12 0.36 -0.01 0.00 2.57 0.00 0.00 54.79 57.83 1vle n ASP 200 Cb 0.35 -1.62 -0.04 0.00 1.84 0.00 0.00 41.12 41.65 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 -0.04 0.00 -0.36 0.64 3.38 -1.42 -3.32 115.31 114.18 1vle h LEU 201 Ca -0.10 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.93 1vle h LEU 201 Cb 1.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 1vle h LEU 201 CO 0.12 0.70 0.05 0.25 0.09 0.00 0.00 178.44 179.65 1vle h LEU 202 N 0.00 -0.03 -0.75 1.67 5.85 -1.51 0.40 115.31 120.95 1vle h LEU 202 Ca -0.03 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 1vle h LEU 202 Cb 1.56 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 1vle h LEU 202 CO 0.09 0.02 -0.23 -0.08 -0.34 0.00 0.00 178.44 177.90 1vle h GLU 203 N 0.17 0.71 -0.16 1.25 4.81 -1.78 -1.08 114.58 118.49 1vle h GLU 203 Ca 0.17 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1vle h GLU 203 Cb 0.21 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1vle h GLU 203 CO -0.24 0.87 0.09 0.22 -0.73 0.00 0.00 179.01 179.22 1vle h ASP 204 N 0.62 0.14 -0.17 1.04 -0.00 -1.50 -1.25 116.42 115.30 1vle h ASP 204 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.11 1vle h ASP 204 Cb 0.72 -0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 40.02 1vle h ASP 204 CO 0.06 0.10 0.05 1.23 -0.00 0.00 0.00 179.24 180.68 1vle h GLY 205 N 0.19 0.28 1.28 -0.78 0.00 -0.77 0.19 103.07 103.46 1vle h GLY 205 Ca 0.06 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.29 1vle h GLY 205 CO -0.04 0.16 0.33 1.41 0.00 0.00 0.00 176.54 178.40 1vle h LEU 206 N 0.08 0.35 0.07 3.11 3.38 -1.07 0.22 115.31 121.46 1vle h LEU 206 Ca 0.05 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.73 1vle h LEU 206 Cb 0.24 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1vle h LEU 206 CO -0.00 0.22 -1.53 0.11 0.09 0.00 0.00 178.44 177.34 1vle h LYS 207 N 0.39 0.16 0.00 1.13 1.57 -0.91 -3.42 116.57 115.48 1vle h LYS 207 Ca 0.21 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1vle h LYS 207 Cb 0.34 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1vle h LYS 207 CO -0.05 0.96 0.00 0.72 -0.57 0.00 0.00 179.45 180.51 1vle n HIS 208 N -3.35 0.00 -2.00 -1.35 8.25 0.65 -4.80 115.22 112.62 1vle n HIS 208 Ca -0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.90 1vle n HIS 208 Cb 1.03 0.00 -0.01 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 s ALA 209 N -0.85 3.53 0.00 -1.41 0.00 0.75 -4.68 121.76 119.10 1vle s ALA 209 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1vle s ALA 209 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1vle s ALA 209 CO 0.00 -0.79 0.00 0.39 0.00 0.00 0.00 175.76 175.36 1vle n GLU 210 N 0.76 2.67 -3.60 0.00 1.02 -0.22 -4.79 120.64 116.47 1vle n GLU 210 Ca 0.01 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 1vle n GLU 210 Cb 0.41 -0.85 -0.07 0.00 -0.02 0.00 0.00 31.44 30.90 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 -1.66 0.89 -0.08 3.49 0.00 -1.02 -1.82 119.30 119.08 1vle s MET 211 Ca 0.00 0.63 0.02 0.00 0.00 0.00 0.00 55.69 56.35 1vle s MET 211 Cb 0.00 0.42 0.01 0.00 0.00 0.00 0.00 34.83 35.27 1vle s MET 211 CO 0.00 -0.19 -0.14 0.42 0.00 0.00 0.00 175.02 175.11 1vle s ILE 212 N -0.30 1.34 -0.48 10.11 1.01 0.84 -1.62 121.20 132.10 1vle s ILE 212 Ca -0.05 -0.58 -0.13 0.00 0.00 0.00 0.00 60.65 59.89 1vle s ILE 212 Cb -0.03 -1.22 0.10 0.00 0.01 0.00 0.00 42.46 41.32 1vle s ILE 212 CO 0.04 0.40 0.39 -0.69 0.00 0.00 0.00 174.94 175.09 1vle s VAL 213 N 0.77 4.85 -0.70 2.92 1.01 -0.60 -1.47 120.40 127.18 1vle s VAL 213 Ca -0.12 -1.37 -0.25 0.00 0.00 0.00 0.00 61.98 60.24 1vle s VAL 213 Cb -0.16 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.26 1vle s VAL 213 CO 0.02 -0.67 1.14 -0.36 0.00 0.00 0.00 175.10 175.23 1vle s PHE 214 N 1.54 2.46 -0.33 5.22 0.08 0.11 -0.22 117.98 126.84 1vle s PHE 214 Ca 0.04 -0.25 -0.09 0.00 0.12 0.00 0.00 56.93 56.75 1vle s PHE 214 Cb -0.26 -4.48 0.01 0.00 -0.57 0.00 0.00 43.02 37.72 1vle s PHE 214 CO 0.03 -1.88 0.15 -0.46 -0.10 0.00 0.00 175.22 172.97 1vle s TRP 215 N 4.99 3.20 -1.43 0.36 -0.11 -0.19 -0.84 118.94 124.92 1vle s TRP 215 Ca 0.30 -0.83 -0.10 0.00 1.22 0.00 0.00 56.10 56.69 1vle s TRP 215 Cb -0.12 -2.35 0.05 0.00 -1.50 0.00 0.00 33.47 29.55 1vle s TRP 215 CO 0.13 -0.56 1.01 0.45 -4.62 0.00 0.00 176.95 173.37 1vle n SER 216 N 4.95 -4.69 -3.85 5.86 2.88 -0.40 -1.36 113.62 117.00 1vle n SER 216 Ca -0.13 -0.70 -0.24 0.00 -1.33 0.00 0.00 58.87 56.47 1vle n SER 216 Cb 0.48 -4.33 -0.17 0.00 -0.75 0.00 0.00 64.21 59.43 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 -3.51 1.64 -0.56 -3.46 0.15 -1.26 -3.40 113.70 103.30 1vle s SER 217 Ca 0.52 -0.17 0.06 0.00 0.70 0.00 0.00 55.95 57.06 1vle s SER 217 Cb -0.25 -0.59 0.21 0.00 -1.71 0.00 0.00 66.02 63.69 1vle s SER 217 CO 0.79 -0.13 0.55 -0.67 1.20 0.00 0.00 173.24 174.98 1vle n ASP 218 N 4.76 1.95 -0.22 5.45 -0.08 -1.26 -4.89 116.55 122.26 1vle n ASP 218 Ca -0.13 -3.01 -0.01 0.00 -1.51 0.00 0.00 54.79 50.13 1vle n ASP 218 Cb 0.50 -0.67 0.06 0.00 2.34 0.00 0.00 41.12 43.36 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 4.77 -0.03 -0.27 -0.67 0.11 -1.91 -1.65 132.00 132.36 1vle h PRO 219 Ca 0.17 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.35 1vle h PRO 219 Cb 0.78 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.83 1vle h PRO 219 CO 0.63 -0.02 -0.16 0.93 -0.21 0.00 0.00 178.00 179.17 1vle h GLU 220 N -0.03 -0.13 0.42 1.05 4.39 -1.94 1.24 114.58 119.59 1vle h GLU 220 Ca 0.31 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.00 1vle h GLU 220 Cb 0.51 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1vle h GLU 220 CO -0.69 -0.08 -0.20 1.15 -1.16 0.00 0.00 179.01 178.02 1vle h THR 221 N -0.13 0.53 0.12 1.13 2.02 -1.79 -3.36 112.91 111.43 1vle h THR 221 Ca 0.15 -0.42 -0.29 0.00 0.77 0.00 0.00 66.41 66.61 1vle h THR 221 Cb 0.35 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1vle h THR 221 CO -0.35 0.07 -1.43 0.78 0.37 0.00 0.00 175.52 174.96 1vle h ASN 222 N -0.83 0.39 -0.33 4.18 2.35 -1.28 -3.48 115.58 116.58 1vle h ASN 222 Ca -0.06 -0.49 -0.14 0.00 -0.55 0.00 0.00 56.30 55.06 1vle h ASN 222 Cb 0.55 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.74 1vle h ASN 222 CO 0.09 1.40 -0.13 -1.54 -1.65 0.00 0.00 177.43 175.61 1vle n SER 223 N -3.47 -5.38 0.00 5.81 3.41 0.43 -2.93 113.62 111.49 1vle n SER 223 Ca -0.13 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1vle n SER 223 Cb 1.04 -3.48 0.00 0.00 -0.26 0.00 0.00 64.21 61.50 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 -0.08 2.05 0.00 5.00 0.00 -1.26 -4.40 105.19 106.50 1vle n GLY 224 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1vle n GLY 224 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1vle n ILE 225 N 0.00 0.00 -0.96 -0.61 3.06 -1.15 -4.72 119.36 114.98 1vle n ILE 225 Ca 0.00 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.24 1vle n ILE 225 Cb 0.00 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.17 1vle n ILE 225 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1vle n TYR 226 N -0.02 -0.01 -1.21 9.51 0.53 -1.25 -4.84 117.16 119.87 1vle n TYR 226 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.80 1vle n TYR 226 Cb 0.00 -1.97 0.24 0.00 -1.03 0.00 0.00 39.34 36.57 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 0.94 4.52 -0.11 -0.72 0.00 -1.26 -3.84 120.51 120.02 1vle n ALA 227 Ca -0.01 -2.72 0.00 0.00 0.00 0.00 0.00 53.44 50.71 1vle n ALA 227 Cb 0.47 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.75 2.01 2.44 0.00 0.00 -1.26 -1.68 105.19 105.95 1vle n GLY 228 Ca 0.40 0.48 -0.08 0.00 0.00 0.00 0.00 46.02 46.82 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 5.30 1.70 -0.23 1.61 3.01 -1.26 -4.66 117.46 122.92 1vle n PHE 229 Ca 0.00 -2.08 0.02 0.00 1.01 0.00 0.00 57.45 56.40 1vle n PHE 229 Cb 0.00 -0.27 0.26 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 2.35 0.97 -0.01 -1.08 4.39 -1.64 -3.03 114.58 116.53 1vle h GLU 230 Ca 0.04 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1vle h GLU 230 Cb 1.39 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1vle h GLU 230 CO 0.38 0.64 -0.04 -1.13 -1.16 0.00 0.00 179.01 177.69 1vle n SER 231 N -4.44 0.67 -0.07 1.42 3.41 -1.26 -4.35 113.62 109.00 1vle n SER 231 Ca 0.10 -1.02 -0.07 0.00 -0.26 0.00 0.00 58.87 57.61 1vle n SER 231 Cb 0.08 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1vle n SER 231 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1vle h ASN 232 N 0.99 -0.21 0.15 4.04 -0.73 -1.92 -1.85 115.58 116.05 1vle h ASN 232 Ca 0.00 0.07 -0.02 0.00 1.87 0.00 0.00 56.30 58.22 1vle h ASN 232 Cb 0.29 0.15 -0.00 0.00 0.27 0.00 0.00 38.32 39.03 1vle h ASN 232 CO 0.00 -0.07 -0.10 -0.29 -0.37 0.00 0.00 177.43 176.60 1vle h ILE 233 N 0.02 0.86 -0.24 2.57 2.10 -1.83 -2.45 117.51 118.53 1vle h ILE 233 Ca 0.13 -0.36 -0.02 0.00 1.08 0.00 0.00 64.86 65.69 1vle h ILE 233 Cb 0.19 1.21 -0.01 0.00 -1.09 0.00 0.00 36.82 37.11 1vle h ILE 233 CO -0.26 0.09 0.06 0.03 -1.08 0.00 0.00 178.15 177.00 1vle h ARG 234 N 0.00 0.38 0.00 2.19 3.08 -1.61 -0.46 114.38 117.97 1vle h ARG 234 Ca -0.00 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1vle h ARG 234 Cb 0.20 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1vle h ARG 234 CO 0.01 0.48 -0.36 0.00 -1.07 0.00 0.00 179.97 179.04 1vle h ARG 235 N 0.22 0.00 -0.71 0.04 3.08 -1.37 -1.73 114.38 113.91 1vle h ARG 235 Ca 0.08 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1vle h ARG 235 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1vle h ARG 235 CO -0.00 0.36 0.20 0.37 -1.07 0.00 0.00 179.97 179.83 1vle h GLN 236 N 0.00 1.11 -0.08 0.04 5.75 -0.96 0.34 115.11 121.32 1vle h GLN 236 Ca -0.00 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.24 1vle h GLN 236 Cb 0.81 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.21 1vle h GLN 236 CO 0.05 0.96 0.02 -1.49 -2.65 0.00 0.00 178.83 175.72 1vle h TRP 237 N 1.05 0.14 -0.03 3.99 6.55 -0.46 -0.91 115.95 126.28 1vle h TRP 237 Ca 0.23 -0.02 0.01 0.00 0.95 0.00 0.00 58.89 60.06 1vle h TRP 237 Cb 0.33 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.58 1vle h TRP 237 CO 0.03 0.33 -0.01 -0.07 -1.05 0.00 0.00 178.44 177.67 1vle h LEU 238 N -0.10 -0.04 -0.80 -4.49 3.38 -1.09 -0.88 115.31 111.30 1vle h LEU 238 Ca 0.02 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1vle h LEU 238 Cb 0.27 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 1vle h LEU 238 CO 0.00 -0.02 0.44 0.50 0.09 0.00 0.00 178.44 179.45 1vle h LYS 239 N -0.01 0.71 0.00 1.13 3.64 -0.27 0.63 116.57 122.40 1vle h LYS 239 Ca 0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1vle h LYS 239 Cb 0.03 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1vle h LYS 239 CO -0.04 0.47 0.00 -0.25 -2.27 0.00 0.00 179.45 177.36 1vle n ASP 240 N -4.79 0.00 -0.09 4.20 8.00 -0.35 -2.08 116.55 121.44 1vle n ASP 240 Ca 0.13 0.32 0.12 0.00 0.71 0.00 0.00 54.79 56.07 1vle n ASP 240 Cb 0.29 -0.43 0.23 0.00 -0.02 0.00 0.00 41.12 41.19 1vle n ASP 240 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1vle n LEU 241 N -1.43 0.77 0.00 0.64 4.77 0.16 -4.93 117.00 116.97 1vle n LEU 241 Ca 0.07 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1vle n LEU 241 Cb 0.25 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1vle n LEU 241 CO 0.21 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1vle n GLY 242 N 1.45 0.98 3.71 -0.72 0.00 -0.88 -5.08 105.19 104.65 1vle n GLY 242 Ca 0.07 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 4.80 0.17 1.61 1.01 -0.86 -4.91 120.40 120.22 1vle s VAL 243 Ca 0.00 2.02 -0.24 0.00 0.00 0.00 0.00 61.98 63.76 1vle s VAL 243 Cb 0.00 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 1vle s VAL 243 CO 0.00 0.14 0.74 -1.81 0.00 0.00 0.00 175.10 174.17 1vle s ASP 244 N 1.03 7.29 -0.19 3.32 1.01 -0.76 -4.51 116.67 123.87 1vle s ASP 244 Ca 0.52 1.56 -0.01 0.00 0.71 0.00 0.00 52.55 55.33 1vle s ASP 244 Cb -0.21 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.25 1vle s ASP 244 CO 0.27 0.18 -0.13 -0.36 0.21 0.00 0.00 175.17 175.34 1vle s PHE 245 N -1.21 2.84 -0.10 4.23 2.99 -1.26 -0.11 117.98 125.36 1vle s PHE 245 Ca 0.36 -1.21 0.03 0.00 0.00 0.00 0.00 56.93 56.11 1vle s PHE 245 Cb -0.21 -1.97 -0.01 0.00 0.00 0.00 0.00 43.02 40.82 1vle s PHE 245 CO 0.24 -0.61 -0.20 0.08 -0.00 0.00 0.00 175.22 174.73 1vle s VAL 246 N 1.20 2.48 -0.16 -0.44 1.01 -0.54 -1.27 120.40 122.68 1vle s VAL 246 Ca 0.02 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1vle s VAL 246 Cb -0.14 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1vle s VAL 246 CO -0.06 0.55 -0.12 -0.36 0.00 0.00 0.00 175.10 175.11 1vle s PHE 247 N 0.17 2.83 -0.33 5.22 0.40 -0.36 0.07 117.98 125.99 1vle s PHE 247 Ca -0.11 -0.88 -0.03 0.00 -0.60 0.00 0.00 56.93 55.31 1vle s PHE 247 Cb -0.16 -1.92 0.06 0.00 0.51 0.00 0.00 43.02 41.51 1vle s PHE 247 CO 0.06 -0.39 0.06 0.42 0.70 0.00 0.00 175.22 176.07 1vle s ILE 248 N 0.78 3.23 -0.28 0.64 1.01 -0.02 -0.13 121.20 126.43 1vle s ILE 248 Ca -0.05 -1.44 -0.17 0.00 0.00 0.00 0.00 60.65 59.00 1vle s ILE 248 Cb -0.15 -2.91 0.11 0.00 0.01 0.00 0.00 42.46 39.52 1vle s ILE 248 CO 0.01 -0.22 0.82 -0.62 0.00 0.00 0.00 174.94 174.93 1vle s ASP 249 N 1.39 -0.74 0.43 3.58 -1.08 -0.29 -1.28 116.67 118.67 1vle s ASP 249 Ca -0.02 1.20 0.19 0.00 -0.52 0.00 0.00 52.55 53.40 1vle s ASP 249 Cb -0.20 1.30 1.12 0.00 -1.46 0.00 0.00 42.92 43.68 1vle s ASP 249 CO -0.01 -0.19 1.85 -0.65 0.52 0.00 0.00 175.17 176.69 1vle h PRO 250 N 6.46 0.36 -5.73 4.34 0.11 -1.77 -3.35 132.00 132.41 1vle h PRO 250 Ca -0.29 -0.02 -0.66 0.00 0.11 0.00 0.00 66.00 65.14 1vle h PRO 250 Cb 1.21 -0.08 -0.17 0.00 0.11 0.00 0.00 31.00 32.07 1vle h PRO 250 CO 0.17 0.24 -0.63 -1.58 -0.21 0.00 0.00 178.00 175.99 1vle s HIS 251 N -5.40 3.13 -1.11 0.65 5.65 -1.26 -3.92 115.29 113.03 1vle s HIS 251 Ca -0.08 0.05 -0.22 0.00 0.25 0.00 0.00 55.06 55.06 1vle s HIS 251 Cb 0.23 -1.86 0.01 0.00 -1.18 0.00 0.00 32.58 29.78 1vle s HIS 251 CO 0.78 0.30 1.73 1.41 -0.65 0.00 0.00 174.74 178.32 1vle s MET 252 N -0.42 3.27 1.24 2.88 1.75 -0.49 -4.94 119.30 122.60 1vle s MET 252 Ca 0.08 -1.21 -0.17 0.00 -1.25 0.00 0.00 55.69 53.14 1vle s MET 252 Cb -0.12 -5.33 0.28 0.00 2.84 0.00 0.00 34.83 32.51 1vle s MET 252 CO 0.02 -2.83 0.76 0.27 -0.65 0.00 0.00 175.02 172.60 1vle n ASN 253 N 10.91 -2.58 0.21 1.11 0.23 -1.26 -4.54 115.26 119.34 1vle n ASN 253 Ca 0.41 -0.36 0.05 0.00 -0.53 0.00 0.00 54.58 54.15 1vle n ASN 253 Cb 0.48 -1.11 0.51 0.00 -2.08 0.00 0.00 39.78 37.57 1vle n ASN 253 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 1vle h HIS 254 N -2.86 0.05 -0.09 -2.53 3.86 -1.94 0.32 115.15 111.95 1vle h HIS 254 Ca -0.55 -0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.47 1vle h HIS 254 Cb 1.31 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.77 1vle h HIS 254 CO -0.87 0.18 -0.74 1.15 0.86 0.00 0.00 177.93 178.50 1vle h THR 255 N 0.04 1.36 -0.30 2.45 2.02 -1.90 -2.85 112.91 113.74 1vle h THR 255 Ca 0.01 -2.12 -0.15 0.00 0.77 0.00 0.00 66.41 64.92 1vle h THR 255 Cb 0.26 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1vle h THR 255 CO 0.02 0.64 -0.42 0.00 0.37 0.00 0.00 175.52 176.13 1vle h ALA 256 N 0.87 0.70 0.00 6.16 0.00 -1.72 -1.46 119.26 123.82 1vle h ALA 256 Ca -0.04 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1vle h ALA 256 Cb 1.33 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1vle h ALA 256 CO 0.13 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 180.02 1vle h ARG 257 N 0.59 0.00 0.01 0.00 3.08 -0.87 -1.36 114.38 115.83 1vle h ARG 257 Ca 0.04 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.77 1vle h ARG 257 Cb 0.97 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.97 1vle h ARG 257 CO 0.09 0.03 -1.81 -0.11 -1.07 0.00 0.00 179.97 177.10 1vle n LEU 258 N -3.27 2.01 -0.19 3.04 7.94 -1.01 -4.81 117.00 120.72 1vle n LEU 258 Ca -0.02 0.35 0.03 0.00 -1.11 0.00 0.00 56.01 55.26 1vle n LEU 258 Cb 0.18 -0.93 0.04 0.00 0.53 0.00 0.00 43.42 43.24 1vle n LEU 258 CO 0.25 0.46 0.39 1.33 -1.11 0.00 0.00 177.39 178.71 1vle n VAL 259 N -4.23 0.74 -1.98 1.96 0.24 -0.58 -5.09 118.33 109.39 1vle n VAL 259 Ca -0.40 -0.86 -0.40 0.00 -2.04 0.00 0.00 64.34 60.64 1vle n VAL 259 Cb 0.80 0.37 -0.00 0.00 -1.47 0.00 0.00 33.84 33.53 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 -1.05 3.37 -0.09 2.33 0.00 -0.52 -4.72 121.76 121.09 1vle s ALA 260 Ca 0.10 1.35 0.17 0.00 0.00 0.00 0.00 51.96 53.58 1vle s ALA 260 Cb 0.09 -3.53 -0.25 0.00 0.00 0.00 0.00 23.12 19.42 1vle s ALA 260 CO 0.01 -0.89 0.25 -0.25 0.00 0.00 0.00 175.76 174.88 1vle n ASP 261 N 0.29 0.73 -3.59 0.00 9.92 -0.40 -4.98 116.55 118.52 1vle n ASP 261 Ca 0.03 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.14 1vle n ASP 261 Cb 0.42 1.42 -0.07 0.00 -0.64 0.00 0.00 41.12 42.26 1vle n ASP 261 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1vle s LYS 262 N -2.89 0.89 -0.05 -1.24 2.47 -1.21 -5.04 119.74 112.66 1vle s LYS 262 Ca -0.08 0.71 0.01 0.00 -1.56 0.00 0.00 55.97 55.06 1vle s LYS 262 Cb 0.09 0.43 0.02 0.00 -1.46 0.00 0.00 37.83 36.90 1vle s LYS 262 CO 0.75 -0.18 -0.06 -0.46 0.16 0.00 0.00 175.35 175.56 1vle s TRP 263 N -0.18 0.88 -0.09 4.03 -0.00 -1.26 -1.22 118.94 121.09 1vle s TRP 263 Ca -0.03 -0.28 -0.02 0.00 -0.00 0.00 0.00 56.10 55.77 1vle s TRP 263 Cb -0.03 -0.76 -0.03 0.00 -0.00 0.00 0.00 33.47 32.65 1vle s TRP 263 CO 0.04 -0.22 0.00 -0.06 -0.00 0.00 0.00 176.95 176.70 1vle s PHE 264 N 0.95 3.15 -0.61 5.86 0.40 0.81 -4.99 117.98 123.55 1vle s PHE 264 Ca -0.10 0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.43 1vle s PHE 264 Cb -0.14 -1.81 0.16 0.00 0.51 0.00 0.00 43.02 41.73 1vle s PHE 264 CO 0.00 0.42 0.41 0.45 0.70 0.00 0.00 175.22 177.20 1vle s SER 265 N -0.74 4.25 0.53 1.36 0.15 -1.26 -1.14 113.70 116.85 1vle s SER 265 Ca 0.12 -3.50 -0.19 0.00 0.70 0.00 0.00 55.95 53.08 1vle s SER 265 Cb -0.12 -1.45 -0.06 0.00 -1.71 0.00 0.00 66.02 62.68 1vle s SER 265 CO 0.02 -0.14 1.06 -2.16 1.20 0.00 0.00 173.24 173.23 1vle s PRO 266 N -0.90 3.56 0.80 5.44 0.04 -1.26 -4.69 135.00 137.98 1vle s PRO 266 Ca 0.24 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 1vle s PRO 266 Cb -0.10 -2.06 0.07 0.00 0.04 0.00 0.00 34.50 32.46 1vle s PRO 266 CO -0.12 -0.64 1.13 0.15 0.04 0.00 0.00 177.00 177.56 1vle s LYS 267 N -3.47 1.93 0.43 4.56 1.02 -0.24 -4.17 119.74 119.80 1vle s LYS 267 Ca 0.68 1.40 -0.26 0.00 0.02 0.00 0.00 55.97 57.81 1vle s LYS 267 Cb -0.18 -1.84 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 1vle s LYS 267 CO 0.26 -1.92 1.43 0.96 -0.92 0.00 0.00 175.35 175.15 1vle s ILE 268 N -2.62 2.12 -1.36 2.17 -4.36 -1.26 -2.77 121.20 113.12 1vle s ILE 268 Ca 0.65 0.11 0.00 0.00 -0.26 0.00 0.00 60.65 61.15 1vle s ILE 268 Cb -0.21 -3.06 0.00 0.00 1.25 0.00 0.00 42.46 40.44 1vle s ILE 268 CO 0.53 0.02 0.00 0.61 0.24 0.00 0.00 174.94 176.34 1vle n GLY 269 N 0.56 1.15 0.00 6.27 0.00 -1.26 -4.60 105.19 107.31 1vle n GLY 269 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1vle n GLY 269 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vle n THR 270 N -2.84 0.52 -0.23 2.61 -2.24 -1.11 -4.32 114.28 106.67 1vle n THR 270 Ca -0.14 -0.72 0.02 0.00 -2.27 0.00 0.00 64.05 60.95 1vle n THR 270 Cb 0.46 0.77 0.14 0.00 -2.10 0.00 0.00 70.33 69.61 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 0.27 0.13 3.42 5.19 -1.90 -0.72 116.42 122.80 1vle h ASP 271 Ca 0.00 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1vle h ASP 271 Cb 0.33 0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1vle h ASP 271 CO 0.00 0.14 0.00 1.12 -3.12 0.00 0.00 179.24 177.38 1vle h HIS 272 N 0.45 0.00 -0.37 4.55 2.07 -1.87 0.02 115.15 119.99 1vle h HIS 272 Ca 0.36 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.72 1vle h HIS 272 Cb 0.48 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.45 1vle h HIS 272 CO -0.16 0.00 -0.38 0.00 -3.07 0.00 0.00 177.93 174.32 1vle h ALA 273 N 2.04 0.62 -0.32 6.11 0.00 -1.49 -1.48 119.26 124.73 1vle h ALA 273 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 1vle h ALA 273 Cb 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1vle h ALA 273 CO 0.00 0.67 -0.46 -0.07 0.00 0.00 0.00 179.25 179.40 1vle h LEU 274 N 0.74 0.96 -1.03 0.00 3.38 -1.07 -1.56 115.31 116.72 1vle h LEU 274 Ca 0.06 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 1vle h LEU 274 Cb 0.96 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1vle h LEU 274 CO 0.09 1.28 -0.04 0.77 0.09 0.00 0.00 178.44 180.63 1vle h SER 275 N 0.67 0.62 0.13 -0.43 4.64 -1.44 0.12 113.55 117.85 1vle h SER 275 Ca 0.03 -0.15 -0.15 0.00 -0.47 0.00 0.00 61.79 61.06 1vle h SER 275 Cb 1.06 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1vle h SER 275 CO 0.11 0.72 -0.53 -0.26 -0.87 0.00 0.00 176.83 175.99 1vle h PHE 276 N 0.61 0.55 -0.22 4.77 -1.00 -1.19 -0.57 116.94 119.89 1vle h PHE 276 Ca 0.12 -0.19 -0.16 0.00 2.81 0.00 0.00 57.97 60.55 1vle h PHE 276 Cb 0.44 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1vle h PHE 276 CO 0.02 0.88 -0.52 0.00 -1.61 0.00 0.00 178.31 177.08 1vle h ALA 277 N 1.09 0.69 -0.33 2.45 0.00 -0.76 -0.36 119.26 122.03 1vle h ALA 277 Ca 0.01 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 1vle h ALA 277 Cb 1.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1vle h ALA 277 CO 0.09 0.68 -0.16 0.82 0.00 0.00 0.00 179.25 180.69 1vle h ILE 278 N 0.48 1.29 -0.68 0.00 2.04 -0.64 -1.60 117.51 118.41 1vle h ILE 278 Ca 0.02 -1.26 -0.04 0.00 1.00 0.00 0.00 64.86 64.57 1vle h ILE 278 Cb 1.06 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1vle h ILE 278 CO 0.10 0.41 0.25 0.00 0.00 0.00 0.00 178.15 178.91 1vle h ALA 279 N 0.78 0.88 -0.05 1.87 0.00 -1.00 -2.18 119.26 119.56 1vle h ALA 279 Ca 0.07 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1vle h ALA 279 Cb 0.69 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1vle h ALA 279 CO 0.05 0.52 -0.18 -0.92 0.00 0.00 0.00 179.25 178.71 1vle h TYR 280 N 0.97 -0.47 -0.82 0.00 3.20 -0.89 0.44 116.97 119.40 1vle h TYR 280 Ca 0.22 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.22 1vle h TYR 280 Cb 0.24 0.22 -0.08 0.00 1.54 0.00 0.00 36.73 38.64 1vle h TYR 280 CO 0.02 -0.26 0.45 1.15 -1.64 0.00 0.00 178.16 177.88 1vle h THR 281 N -0.27 0.85 -0.60 1.81 2.02 -1.01 0.35 112.91 116.07 1vle h THR 281 Ca 0.07 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.90 1vle h THR 281 Cb 0.37 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1vle h THR 281 CO -0.20 0.13 -0.02 -0.50 0.37 0.00 0.00 175.52 175.30 1vle h TRP 282 N 0.73 1.16 0.44 3.16 6.55 -0.71 -0.80 115.95 126.48 1vle h TRP 282 Ca 0.41 -0.20 -0.02 0.00 0.95 0.00 0.00 58.89 60.03 1vle h TRP 282 Cb 0.44 -0.30 0.00 0.00 -0.86 0.00 0.00 29.16 28.45 1vle h TRP 282 CO -0.07 1.03 -0.21 -0.07 -1.05 0.00 0.00 178.44 178.06 1vle h LEU 283 N 0.97 -0.50 -1.44 -4.49 3.38 0.06 0.18 115.31 113.46 1vle h LEU 283 Ca 0.17 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.17 1vle h LEU 283 Cb 0.58 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1vle h LEU 283 CO 0.03 -0.18 0.51 0.11 0.09 0.00 0.00 178.44 179.00 1vle h LYS 284 N -0.85 0.58 -0.63 1.13 1.79 -0.95 -2.26 116.57 115.38 1vle h LYS 284 Ca -0.06 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1vle h LYS 284 Cb 0.56 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1vle h LYS 284 CO 0.10 0.38 0.00 0.39 -1.08 0.00 0.00 179.45 179.24 1vle n GLU 285 N -4.50 2.83 -4.25 3.15 1.02 -0.31 -4.97 120.64 113.60 1vle n GLU 285 Ca 0.14 -2.52 -0.37 0.00 -0.02 0.00 0.00 57.16 54.39 1vle n GLU 285 Cb 0.41 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 1vle n GLU 285 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1vle n ASP 286 N 1.31 -3.07 -3.66 1.62 9.92 0.49 -4.88 116.55 118.28 1vle n ASP 286 Ca 0.21 -1.04 -0.37 0.00 -0.53 0.00 0.00 54.79 53.07 1vle n ASP 286 Cb 0.59 -2.64 -0.02 0.00 -0.64 0.00 0.00 41.12 38.42 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 -2.64 5.74 -3.70 -2.24 3.41 -0.32 -4.98 113.62 108.88 1vle n SER 287 Ca 0.07 -3.51 -0.08 0.00 -0.26 0.00 0.00 58.87 55.09 1vle n SER 287 Cb 0.49 -1.02 -0.02 0.00 -0.26 0.00 0.00 64.21 63.41 1vle n SER 287 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1vle s TYR 288 N -3.12 -0.03 -1.23 7.33 1.13 -1.26 -4.79 117.35 115.38 1vle s TYR 288 Ca 0.37 -0.45 -0.19 0.00 -1.41 0.00 0.00 57.07 55.38 1vle s TYR 288 Cb 0.13 0.64 0.05 0.00 -1.10 0.00 0.00 41.96 41.68 1vle s TYR 288 CO 0.00 -1.26 1.69 0.34 -2.51 0.00 0.00 175.55 173.82 1vle s ASP 289 N -2.97 6.64 0.21 -0.18 -1.08 0.31 -4.82 116.67 114.78 1vle s ASP 289 Ca 0.14 -2.17 -0.09 0.00 -0.52 0.00 0.00 52.55 49.90 1vle s ASP 289 Cb -0.05 -2.58 0.24 0.00 -1.46 0.00 0.00 42.92 39.07 1vle s ASP 289 CO 0.08 -1.37 1.80 0.11 0.52 0.00 0.00 175.17 176.31 1vle h LYS 290 N 8.21 0.62 -0.32 4.34 1.57 -1.96 -1.50 116.57 127.54 1vle h LYS 290 Ca 0.38 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.14 1vle h LYS 290 Cb 0.91 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1vle h LYS 290 CO 1.44 0.41 0.17 0.93 -0.57 0.00 0.00 179.45 181.83 1vle h GLU 291 N 0.64 0.34 -0.17 3.15 3.07 -1.98 0.68 114.58 120.30 1vle h GLU 291 Ca 0.30 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.15 1vle h GLU 291 Cb 0.21 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 1vle h GLU 291 CO -0.19 0.22 0.06 -0.92 -1.40 0.00 0.00 179.01 176.78 1vle h TYR 292 N 0.35 0.10 -0.53 4.33 3.20 -1.87 -2.21 116.97 120.34 1vle h TYR 292 Ca 0.13 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1vle h TYR 292 Cb 0.04 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1vle h TYR 292 CO -0.09 0.05 0.26 0.28 -1.64 0.00 0.00 178.16 177.02 1vle h VAL 293 N 0.14 1.20 -0.10 1.81 2.07 -0.97 0.39 116.25 120.78 1vle h VAL 293 Ca 0.07 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1vle h VAL 293 Cb 0.04 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1vle h VAL 293 CO -0.08 0.22 0.05 0.00 0.02 0.00 0.00 177.57 177.79 1vle h ALA 294 N 1.10 1.91 0.07 1.67 0.00 -0.64 -1.85 119.26 121.52 1vle h ALA 294 Ca 0.18 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.72 1vle h ALA 294 Cb 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1vle h ALA 294 CO -0.02 0.08 -2.06 0.00 0.00 0.00 0.00 179.25 177.24 1vle n ALA 295 N -2.52 1.14 -0.76 0.00 0.00 -0.85 -4.59 120.51 112.93 1vle n ALA 295 Ca -0.02 -0.77 0.08 0.00 0.00 0.00 0.00 53.44 52.74 1vle n ALA 295 Cb 0.09 -0.57 0.23 0.00 0.00 0.00 0.00 19.45 19.20 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 -3.31 3.65 -4.25 0.00 3.02 0.13 -5.00 115.26 109.50 1vle n ASN 296 Ca -0.32 -2.72 -0.22 0.00 -0.03 0.00 0.00 54.58 51.29 1vle n ASN 296 Cb 1.05 -0.46 -0.12 0.00 -0.61 0.00 0.00 39.78 39.63 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 -2.30 1.61 -0.05 5.41 0.00 -0.70 -1.28 121.76 124.45 1vle s ALA 297 Ca 0.37 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 51.22 1vle s ALA 297 Cb 0.28 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 1vle s ALA 297 CO 0.11 0.30 -0.19 -1.58 0.00 0.00 0.00 175.76 174.40 1vle s HIS 298 N -1.17 1.92 -1.14 0.00 2.46 0.58 -4.69 115.29 113.25 1vle s HIS 298 Ca 0.04 -0.59 0.00 0.00 0.47 0.00 0.00 55.06 54.97 1vle s HIS 298 Cb -0.10 -1.29 0.00 0.00 -0.13 0.00 0.00 32.58 31.06 1vle s HIS 298 CO 0.03 -0.21 0.00 0.41 -2.47 0.00 0.00 174.74 172.51 1vle n GLY 299 N 3.19 1.20 0.19 1.59 0.00 -1.26 -1.63 105.19 108.47 1vle n GLY 299 Ca -0.18 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 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 0.17 -0.23 1.61 3.57 -1.92 -2.58 116.94 117.56 1vle h PHE 300 Ca -0.22 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 1vle h PHE 300 Cb 0.70 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1vle h PHE 300 CO 0.30 0.56 0.11 0.93 -2.23 0.00 0.00 178.31 177.98 1vle h GLU 301 N 0.12 0.34 -0.34 1.11 3.07 -1.97 -0.42 114.58 116.49 1vle h GLU 301 Ca 0.01 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 1vle h GLU 301 Cb 0.81 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1vle h GLU 301 CO 0.06 0.34 0.07 0.93 -1.40 0.00 0.00 179.01 179.02 1vle h GLU 302 N 0.25 0.56 -0.72 2.33 3.07 -1.96 -2.13 114.58 115.97 1vle h GLU 302 Ca 0.08 -0.14 0.04 0.00 -0.50 0.00 0.00 59.36 58.84 1vle h GLU 302 Cb 0.12 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 27.91 1vle h GLU 302 CO -0.01 0.62 0.44 2.35 -1.40 0.00 0.00 179.01 181.01 1vle h TRP 303 N 0.40 0.81 -0.58 4.33 7.01 -1.30 -1.01 115.95 125.61 1vle h TRP 303 Ca 0.11 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1vle h TRP 303 Cb 0.32 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 1vle h TRP 303 CO 0.02 0.43 0.35 0.00 -2.79 0.00 0.00 178.44 176.45 1vle h ALA 304 N 1.33 0.74 -0.43 2.65 0.00 -0.89 0.89 119.26 123.54 1vle h ALA 304 Ca 0.30 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1vle h ALA 304 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1vle h ALA 304 CO -0.14 0.21 0.26 -0.44 0.00 0.00 0.00 179.25 179.14 1vle h ASP 305 N 0.78 0.51 -0.18 0.00 3.32 -0.67 -0.22 116.42 119.96 1vle h ASP 305 Ca 0.21 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1vle h ASP 305 Cb -0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1vle h ASP 305 CO -0.04 0.40 -0.03 0.22 -1.72 0.00 0.00 179.24 178.06 1vle h TYR 306 N 0.59 0.37 -0.68 4.55 3.20 0.11 -0.92 116.97 124.19 1vle h TYR 306 Ca 0.16 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1vle h TYR 306 Cb -0.02 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 1vle h TYR 306 CO 0.00 0.59 0.37 0.28 -1.64 0.00 0.00 178.16 177.76 1vle h VAL 307 N 0.05 1.20 0.00 1.81 2.07 -0.25 -1.39 116.25 119.75 1vle h VAL 307 Ca 0.05 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1vle h VAL 307 Cb 0.46 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1vle h VAL 307 CO 0.02 0.23 0.00 0.18 0.02 0.00 0.00 177.57 178.01 1vle n LEU 308 N -4.37 0.00 0.00 2.57 4.77 -0.15 -1.78 117.00 118.04 1vle n LEU 308 Ca 0.07 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1vle n LEU 308 Cb 0.10 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1vle n LEU 308 CO 0.38 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1vle n GLY 309 N 0.49 0.73 0.30 -0.72 0.00 -0.52 -4.35 105.19 101.12 1vle n GLY 309 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 2.29 0.80 0.00 1.61 1.57 -1.38 -0.69 116.57 120.77 1vle h LYS 310 Ca 0.00 -0.16 -0.21 0.00 -1.87 0.00 0.00 60.65 58.42 1vle h LYS 310 Cb 0.00 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 1vle h LYS 310 CO 0.00 0.71 -1.47 1.79 -0.57 0.00 0.00 179.45 179.91 1vle h THR 311 N 0.77 0.64 -0.03 -0.16 1.35 -1.84 -3.39 112.91 110.25 1vle h THR 311 Ca 0.17 -2.25 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 1vle h THR 311 Cb 0.28 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1vle h THR 311 CO -0.00 0.37 0.00 -0.90 -0.25 0.00 0.00 175.52 174.73 1vle n ASP 312 N -2.96 1.99 0.00 5.36 3.85 -1.23 -4.98 116.55 118.58 1vle n ASP 312 Ca -0.11 -1.91 0.00 0.00 -0.71 0.00 0.00 54.79 52.06 1vle n ASP 312 Cb 0.91 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.66 1vle n ASP 312 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vle n GLY 313 N -0.36 0.31 2.90 6.12 0.00 -0.27 -4.96 105.19 108.93 1vle n GLY 313 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1vle n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vle s THR 314 N -1.75 2.22 0.21 2.61 2.01 -1.20 -5.01 115.64 114.73 1vle s THR 314 Ca 0.00 -2.92 -0.32 0.00 0.31 0.00 0.00 61.69 58.75 1vle s THR 314 Cb 0.00 -2.56 -0.13 0.00 0.01 0.00 0.00 72.50 69.82 1vle s THR 314 CO 0.00 -0.78 1.63 -2.65 -0.69 0.00 0.00 174.62 172.13 1vle n PRO 315 N 3.46 2.50 -1.62 4.92 -0.02 -1.26 -4.09 135.00 138.89 1vle n PRO 315 Ca 0.05 0.90 -0.40 0.00 -2.02 0.00 0.00 63.50 62.03 1vle n PRO 315 Cb 0.35 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.12 1vle n PRO 315 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vle n LYS 316 N 3.30 3.71 -1.40 -0.52 4.76 -0.73 -4.85 118.16 122.44 1vle n LYS 316 Ca 0.15 -2.65 -0.29 0.00 -2.87 0.00 0.00 58.31 52.65 1vle n LYS 316 Cb 0.33 -2.87 0.16 0.00 -1.84 0.00 0.00 35.03 30.80 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 1.54 1.98 0.23 -0.18 -4.23 -1.26 -3.81 115.64 109.91 1vle s THR 317 Ca 0.60 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 61.23 1vle s THR 317 Cb 0.17 -2.65 -0.00 0.00 1.34 0.00 0.00 72.50 71.35 1vle s THR 317 CO -0.07 0.00 1.61 0.00 -0.54 0.00 0.00 174.62 175.62 1vle h GLU 319 N 0.00 0.68 -0.52 0.00 3.07 -1.93 0.60 114.58 116.49 1vle h GLU 319 Ca -0.01 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.36 58.62 1vle h GLU 319 Cb 1.11 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.93 1vle h GLU 319 CO 0.08 0.78 0.26 2.35 -1.40 0.00 0.00 179.01 181.08 1vle h TRP 320 N 0.51 0.74 -0.69 4.33 7.01 -1.84 -1.70 115.95 124.31 1vle h TRP 320 Ca 0.11 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 1vle h TRP 320 Cb 0.47 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 1vle h TRP 320 CO 0.04 0.57 0.42 0.00 -2.79 0.00 0.00 178.44 176.68 1vle h ALA 321 N 1.10 0.88 -0.79 2.65 0.00 -0.94 -2.10 119.26 120.05 1vle h ALA 321 Ca 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1vle h ALA 321 Cb 0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1vle h ALA 321 CO -0.02 0.35 0.52 1.49 0.00 0.00 0.00 179.25 181.58 1vle h GLU 322 N 0.94 1.02 0.00 0.00 4.81 -0.52 0.21 114.58 121.04 1vle h GLU 322 Ca 0.25 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1vle h GLU 322 Cb -0.04 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.11 1vle h GLU 322 CO -0.05 0.67 -0.08 1.49 -0.73 0.00 0.00 179.01 180.32 1vle h GLU 323 N 1.05 0.00 0.00 1.92 4.81 -0.66 0.29 114.58 121.99 1vle h GLU 323 Ca 0.30 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.44 1vle h GLU 323 Cb -0.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1vle h GLU 323 CO -0.08 0.08 -0.62 0.93 -0.73 0.00 0.00 179.01 178.59 1vle h GLU 324 N 0.00 0.00 0.03 1.92 4.39 -0.85 -3.42 114.58 116.66 1vle h GLU 324 Ca -0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1vle h GLU 324 Cb 0.16 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1vle h GLU 324 CO 0.01 0.61 -1.51 0.66 -1.16 0.00 0.00 179.01 177.62 1vle h SER 325 N -1.00 0.10 0.00 1.42 4.64 -0.97 -3.44 113.55 114.30 1vle h SER 325 Ca -0.14 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1vle h SER 325 Cb 0.86 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1vle h SER 325 CO -0.08 1.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.63 1vle n GLY 326 N 1.55 0.66 3.71 -0.77 0.00 0.10 -1.08 105.19 109.37 1vle n GLY 326 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.51 5.05 0.12 1.61 1.01 -1.26 -5.00 120.40 119.43 1vle s VAL 327 Ca 0.00 1.37 -0.35 0.00 0.00 0.00 0.00 61.98 63.00 1vle s VAL 327 Cb 0.00 -4.01 -0.16 0.00 0.00 0.00 0.00 36.38 32.21 1vle s VAL 327 CO 0.00 0.23 1.24 -2.65 0.00 0.00 0.00 175.10 173.92 1vle n PRO 328 N 3.99 1.08 -0.34 2.72 -0.02 -1.26 -4.03 135.00 137.14 1vle n PRO 328 Ca -0.02 0.39 0.01 0.00 -2.02 0.00 0.00 63.50 61.86 1vle n PRO 328 Cb 0.51 -1.95 0.17 0.00 -0.02 0.00 0.00 33.50 32.22 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 3.90 1.39 -0.78 3.55 0.00 -1.93 -2.32 119.26 123.07 1vle h ALA 329 Ca -0.46 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1vle h ALA 329 Cb 1.35 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1vle h ALA 329 CO 0.73 0.52 0.36 0.00 0.00 0.00 0.00 179.25 180.86 1vle h GLU 331 N 1.11 0.34 -0.10 0.00 5.08 -1.82 -0.72 114.58 118.47 1vle h GLU 331 Ca 0.27 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1vle h GLU 331 Cb 0.13 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1vle h GLU 331 CO -0.03 0.77 0.03 0.82 -1.00 0.00 0.00 179.01 179.60 1vle h ILE 332 N 0.27 1.17 -0.67 3.13 2.04 -0.98 -1.66 117.51 120.82 1vle h ILE 332 Ca 0.01 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 1vle h ILE 332 Cb 0.98 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 1vle h ILE 332 CO 0.08 0.16 0.19 -0.09 0.00 0.00 0.00 178.15 178.49 1vle h ARG 333 N -0.02 1.03 -0.67 2.37 2.43 -1.21 -1.23 114.38 117.07 1vle h ARG 333 Ca 0.03 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1vle h ARG 333 Cb 0.22 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1vle h ARG 333 CO -0.00 0.89 0.42 0.00 -1.51 0.00 0.00 179.97 179.77 1vle h ALA 334 N 1.22 0.86 -0.35 2.80 0.00 -0.96 -0.44 119.26 122.38 1vle h ALA 334 Ca 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1vle h ALA 334 Cb 0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1vle h ALA 334 CO -0.01 0.32 0.13 1.25 0.00 0.00 0.00 179.25 180.95 1vle h LEU 335 N 0.91 0.49 -0.32 0.00 5.85 -0.90 -1.37 115.31 119.99 1vle h LEU 335 Ca 0.24 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1vle h LEU 335 Cb -0.05 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1vle h LEU 335 CO -0.05 0.54 0.08 0.00 -0.34 0.00 0.00 178.44 178.67 1vle h ALA 336 N 0.97 0.34 -0.47 1.25 0.00 -0.71 0.32 119.26 120.97 1vle h ALA 336 Ca 0.12 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1vle h ALA 336 Cb 0.21 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1vle h ALA 336 CO -0.01 -0.32 -0.10 0.00 0.00 0.00 0.00 179.25 178.82 1vle h ARG 337 N 0.20 0.86 -0.28 0.00 3.08 -0.98 -2.16 114.38 115.11 1vle h ARG 337 Ca 0.15 -0.30 -0.15 0.00 0.07 0.00 0.00 59.98 59.75 1vle h ARG 337 Cb 0.14 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1vle h ARG 337 CO -0.17 0.93 -0.41 0.37 -1.07 0.00 0.00 179.97 179.61 1vle h GLN 338 N 0.78 0.78 -0.58 0.04 5.75 -0.87 -2.58 115.11 118.43 1vle h GLN 338 Ca 0.13 -0.46 0.05 0.00 -0.15 0.00 0.00 58.65 58.22 1vle h GLN 338 Cb 0.61 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.15 1vle h GLN 338 CO 0.04 1.09 0.30 2.35 -2.65 0.00 0.00 178.83 179.96 1vle h TRP 339 N 0.54 0.55 -0.40 3.99 2.91 -0.26 -1.58 115.95 121.69 1vle h TRP 339 Ca 0.03 0.02 -0.12 0.00 1.13 0.00 0.00 58.89 59.95 1vle h TRP 339 Cb 1.01 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.48 1vle h TRP 339 CO 0.08 0.27 -0.23 0.00 -1.03 0.00 0.00 178.44 177.52 1vle h ALA 340 N 1.31 0.57 0.00 2.65 0.00 -1.35 -3.28 119.26 119.17 1vle h ALA 340 Ca 0.26 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1vle h ALA 340 Cb 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1vle h ALA 340 CO -0.17 0.56 -0.31 0.36 0.00 0.00 0.00 179.25 179.69 1vle n LYS 341 N -4.20 0.15 -4.27 0.00 2.85 -0.98 -4.88 118.16 106.84 1vle n LYS 341 Ca -0.01 0.08 -0.23 0.00 -1.05 0.00 0.00 58.31 57.10 1vle n LYS 341 Cb 0.45 -1.63 -0.07 0.00 -0.65 0.00 0.00 35.03 33.13 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 -3.08 2.39 -0.66 -1.58 -0.14 -0.61 -5.04 119.74 111.03 1vle s LYS 342 Ca 0.10 -1.36 -0.27 0.00 -1.36 0.00 0.00 55.97 53.08 1vle s LYS 342 Cb 0.15 -2.22 0.01 0.00 -1.68 0.00 0.00 37.83 34.08 1vle s LYS 342 CO 0.64 0.37 1.55 -0.80 -0.76 0.00 0.00 175.35 176.35 1vle s ASN 343 N -3.70 5.79 -0.12 2.83 -0.87 -1.26 -4.84 114.94 112.77 1vle s ASN 343 Ca 0.32 0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.61 1vle s ASN 343 Cb -0.07 -2.54 -0.02 0.00 -0.02 0.00 0.00 41.25 38.60 1vle s ASN 343 CO 0.21 -2.04 -0.12 -0.89 -2.57 0.00 0.00 177.10 171.69 1vle s THR 344 N 7.17 3.17 -0.13 1.60 2.01 -1.08 -1.06 115.64 127.32 1vle s THR 344 Ca 0.51 -0.63 -0.05 0.00 0.31 0.00 0.00 61.69 61.83 1vle s THR 344 Cb -0.10 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1vle s THR 344 CO 0.19 0.54 0.05 -0.31 -0.69 0.00 0.00 174.62 174.40 1vle s TYR 345 N 0.11 3.27 -0.40 4.92 1.51 -0.64 -3.86 117.35 122.26 1vle s TYR 345 Ca -0.05 0.18 -0.20 0.00 -1.01 0.00 0.00 57.07 55.99 1vle s TYR 345 Cb -0.15 -1.94 0.01 0.00 -0.11 0.00 0.00 41.96 39.78 1vle s TYR 345 CO 0.04 0.37 0.59 -1.17 -1.11 0.00 0.00 175.55 174.27 1vle s LEU 346 N -0.36 4.46 -1.19 -1.29 2.96 -0.10 -1.56 118.68 121.61 1vle s LEU 346 Ca 0.09 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 1vle s LEU 346 Cb -0.12 -2.66 0.22 0.00 0.50 0.00 0.00 46.19 44.13 1vle s LEU 346 CO 0.02 -0.65 1.55 0.00 -1.32 0.00 0.00 176.35 175.95 1vle n ALA 347 N 6.02 4.78 -2.63 5.97 0.00 0.70 -0.67 120.51 134.68 1vle n ALA 347 Ca -0.03 -4.48 -0.43 0.00 0.00 0.00 0.00 53.44 48.51 1vle n ALA 347 Cb 0.48 -2.76 -0.03 0.00 0.00 0.00 0.00 19.45 17.14 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 -0.38 3.54 0.11 0.00 0.00 -1.26 -1.02 121.76 122.75 1vle s ALA 348 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1vle s ALA 348 Cb 0.02 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1vle s ALA 348 CO 0.02 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 174.87 1vle n GLY 349 N 3.88 -2.17 0.14 0.00 0.00 -0.47 -0.68 105.19 105.89 1vle n GLY 349 Ca 0.09 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.30 0.00 0.47 -0.02 0.00 -1.72 -3.36 103.07 98.15 1vle h GLY 350 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.12 1vle h GLY 350 CO 0.01 0.00 -1.82 -0.10 0.00 0.00 0.00 176.54 174.63 1vle n LEU 351 N -2.68 0.41 0.00 3.11 7.94 -1.26 -3.99 117.00 120.54 1vle n LEU 351 Ca 0.03 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 1vle n LEU 351 Cb 0.51 0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.63 1vle n LEU 351 CO 0.36 0.21 0.00 0.61 -1.11 0.00 0.00 177.39 177.46 1vle n GLY 352 N 1.46 0.76 0.00 -3.96 0.00 -1.24 -4.56 105.19 97.65 1vle n GLY 352 Ca -0.15 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.07 7.00 -0.02 0.00 0.14 -4.21 105.19 108.18 1vle n GLY 353 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.49 -0.48 0.00 1.61 8.01 -1.26 -3.74 117.44 121.09 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 0.12 0.00 0.00 -2.01 0.00 0.00 31.31 29.42 1vle n TRP 354 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1vle n GLY 355 N 0.00 2.82 0.42 6.99 0.00 -1.26 -3.94 105.19 110.22 1vle n GLY 355 Ca 0.00 -1.40 0.28 0.00 0.00 0.00 0.00 46.02 44.90 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 1.36 1.66 -0.02 0.00 -1.95 0.16 103.07 104.28 1vle h GLY 356 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.20 1vle h GLY 356 CO 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 176.54 176.39 1vle h ALA 357 N 1.64 2.03 0.00 3.60 0.00 -1.88 -2.31 119.26 122.34 1vle h ALA 357 Ca 0.69 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.56 1vle h ALA 357 Cb 1.89 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 1vle h ALA 357 CO -0.38 -0.21 -0.14 0.00 0.00 0.00 0.00 179.25 178.52 1vle n ARG 359 N -3.30 2.98 -3.98 0.00 1.85 -0.87 0.51 116.66 113.85 1vle n ARG 359 Ca 0.00 -4.59 -0.10 0.00 -1.00 0.00 0.00 57.85 52.17 1vle n ARG 359 Cb 0.38 -2.36 -0.04 0.00 -1.05 0.00 0.00 32.46 29.39 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 -2.21 -0.27 0.60 2.89 0.00 -1.24 -1.06 121.76 120.47 1vle s ALA 360 Ca 0.34 -0.88 0.36 0.00 0.00 0.00 0.00 51.96 51.77 1vle s ALA 360 Cb 0.06 1.02 2.05 0.00 0.00 0.00 0.00 23.12 26.25 1vle s ALA 360 CO -0.02 -0.88 2.29 0.66 0.00 0.00 0.00 175.76 177.80 1vle h SER 361 N 2.18 0.00 -0.50 0.00 4.64 -1.85 -0.34 113.55 117.68 1vle h SER 361 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1vle h SER 361 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1vle h SER 361 CO 0.35 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.32 1vle n HIS 362 N -3.48 0.96 -0.25 4.77 1.44 -1.26 -4.52 115.22 112.88 1vle n HIS 362 Ca -0.03 -0.59 0.06 0.00 -2.01 0.00 0.00 57.72 55.15 1vle n HIS 362 Cb 0.10 -0.14 0.18 0.00 0.12 0.00 0.00 29.99 30.25 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 3.04 0.98 0.89 -1.39 0.00 -1.12 -1.92 103.07 103.55 1vle h GLY 363 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.35 1vle h GLY 363 CO 0.11 -0.25 -0.06 -2.22 0.00 0.00 0.00 176.54 174.12 1vle h ILE 364 N 0.20 0.85 0.00 2.60 2.04 -1.80 -2.26 117.51 119.14 1vle h ILE 364 Ca 0.42 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.19 1vle h ILE 364 Cb 0.75 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1vle h ILE 364 CO -0.58 0.00 -0.43 -0.33 0.00 0.00 0.00 178.15 176.81 1vle h GLU 365 N -0.13 0.00 0.01 2.37 4.39 -1.83 -1.48 114.58 117.92 1vle h GLU 365 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1vle h GLU 365 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1vle h GLU 365 CO -0.03 0.43 -0.01 2.35 -1.16 0.00 0.00 179.01 180.59 1vle h TRP 366 N 0.00 -0.02 -0.22 4.33 7.01 -1.19 0.20 115.95 126.07 1vle h TRP 366 Ca -0.00 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1vle h TRP 366 Cb 0.85 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.88 1vle h TRP 366 CO 0.00 0.27 0.02 0.00 -2.79 0.00 0.00 178.44 175.94 1vle h ALA 367 N 0.68 0.21 0.00 2.65 0.00 -1.30 -0.21 119.26 121.29 1vle h ALA 367 Ca -0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1vle h ALA 367 Cb 0.29 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1vle h ALA 367 CO 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 179.25 178.63 1vle h ARG 368 N 0.10 0.00 -0.20 0.00 3.08 -1.18 -2.11 114.38 114.06 1vle h ARG 368 Ca 0.10 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.98 1vle h ARG 368 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1vle h ARG 368 CO -0.15 0.21 -0.58 0.78 -1.07 0.00 0.00 179.97 179.16 1vle h GLY 369 N 0.78 0.71 1.59 0.04 0.00 0.36 -0.30 103.07 106.25 1vle h GLY 369 Ca -0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.39 1vle h GLY 369 CO 0.03 0.76 -0.23 -0.33 0.00 0.00 0.00 176.54 176.77 1vle h MET 370 N 0.49 0.49 -0.18 4.80 2.86 -0.53 -1.48 114.93 121.37 1vle h MET 370 Ca 0.00 -0.18 -0.17 0.00 -2.06 0.00 0.00 59.70 57.30 1vle h MET 370 Cb 1.15 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.78 1vle h MET 370 CO 0.11 0.69 -0.55 0.82 1.06 0.00 0.00 176.91 179.04 1vle h ILE 371 N 0.43 1.31 0.08 -1.22 2.04 -1.26 -2.14 117.51 116.75 1vle h ILE 371 Ca 0.07 -1.78 0.01 0.00 1.00 0.00 0.00 64.86 64.16 1vle h ILE 371 Cb 0.64 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 1vle h ILE 371 CO 0.05 0.56 -0.15 0.00 0.00 0.00 0.00 178.15 178.60 1vle h ALA 372 N 0.57 -0.24 -0.16 1.87 0.00 -0.79 0.16 119.26 120.67 1vle h ALA 372 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1vle h ALA 372 Cb 1.17 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1vle h ALA 372 CO 0.12 -0.67 0.10 -0.07 0.00 0.00 0.00 179.25 178.73 1vle h LEU 373 N -0.29 0.19 -1.63 0.00 4.07 -1.33 -0.73 115.31 115.59 1vle h LEU 373 Ca 0.03 -0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 1vle h LEU 373 Cb 0.31 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 1vle h LEU 373 CO -0.09 0.19 -0.10 0.00 -1.08 0.00 0.00 178.44 177.36 1vle h ALA 374 N 1.01 1.70 -0.04 1.53 0.00 -1.23 -2.45 119.26 119.79 1vle h ALA 374 Ca 0.06 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1vle h ALA 374 Cb 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1vle h ALA 374 CO -0.01 0.22 -0.40 1.15 0.00 0.00 0.00 179.25 180.21 1vle h THR 375 N 0.11 1.44 -0.08 0.00 2.02 -0.63 -0.71 112.91 115.05 1vle h THR 375 Ca 0.02 -1.88 0.02 0.00 0.77 0.00 0.00 66.41 65.35 1vle h THR 375 Cb 0.25 2.48 -0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1vle h THR 375 CO 0.01 0.54 0.07 0.24 0.37 0.00 0.00 175.52 176.75 1vle h MET 376 N -0.18 0.00 -0.51 6.66 2.07 -0.83 0.13 114.93 122.27 1vle h MET 376 Ca -0.04 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1vle h MET 376 Cb 1.09 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.82 1vle h MET 376 CO 0.08 0.00 0.00 1.04 1.07 0.00 0.00 176.91 179.10 1vle n GLN 377 N -4.29 2.22 -2.69 1.72 1.13 -0.95 -0.53 117.38 113.99 1vle n GLN 377 Ca -0.01 -1.90 -0.09 0.00 -1.94 0.00 0.00 57.00 53.06 1vle n GLN 377 Cb 0.18 -1.42 0.05 0.00 0.11 0.00 0.00 30.24 29.15 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 1.35 -0.10 3.66 1.08 0.00 0.03 -4.80 105.19 106.41 1vle n GLY 378 Ca 0.18 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.66 1.97 0.00 1.61 0.00 -0.28 -2.88 117.12 114.87 1vle n MET 379 Ca -0.12 0.70 0.00 0.00 0.00 0.00 0.00 57.70 58.28 1vle n MET 379 Cb 0.59 -2.35 0.00 0.00 0.00 0.00 0.00 33.22 31.46 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 2.21 1.08 3.89 3.17 0.00 0.09 -4.48 105.19 111.16 1vle n GLY 380 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.02 3.33 0.04 1.61 -2.85 -1.14 -3.90 119.74 116.81 1vle s LYS 381 Ca 0.00 0.41 -0.34 0.00 -1.00 0.00 0.00 55.97 55.04 1vle s LYS 381 Cb 0.00 -2.18 -0.13 0.00 -2.06 0.00 0.00 37.83 33.46 1vle s LYS 381 CO 0.00 -0.58 1.73 -2.30 0.10 0.00 0.00 175.35 174.30 1vle n PRO 382 N -2.63 2.17 -0.65 1.78 -0.02 -1.26 -1.91 135.00 132.48 1vle n PRO 382 Ca 0.04 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1vle n PRO 382 Cb 0.55 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 3.90 0.80 2.84 -1.23 0.00 -1.26 -5.02 105.19 105.22 1vle n GLY 383 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.83 0.94 0.07 1.61 0.15 -0.80 -2.63 113.70 110.20 1vle s SER 384 Ca 0.00 0.08 -0.27 0.00 0.70 0.00 0.00 55.95 56.46 1vle s SER 384 Cb 0.00 0.55 0.09 0.00 -1.71 0.00 0.00 66.02 64.95 1vle s SER 384 CO 0.00 -0.30 1.15 0.21 1.20 0.00 0.00 173.24 175.51 1vle s ASN 385 N 2.38 -0.06 -0.40 5.45 3.84 -1.25 -0.73 114.94 124.17 1vle s ASN 385 Ca 0.06 -0.34 -0.18 0.00 0.21 0.00 0.00 52.86 52.61 1vle s ASN 385 Cb -0.15 0.31 0.01 0.00 -0.55 0.00 0.00 41.25 40.88 1vle s ASN 385 CO -0.11 -0.60 0.49 -0.32 -2.79 0.00 0.00 177.10 173.77 1vle s MET 386 N -2.50 3.31 -0.13 0.43 -2.45 -1.26 -0.92 119.30 115.77 1vle s MET 386 Ca 0.18 -0.50 -0.07 0.00 -1.25 0.00 0.00 55.69 54.05 1vle s MET 386 Cb 0.01 -3.91 0.05 0.00 1.25 0.00 0.00 34.83 32.23 1vle s MET 386 CO 0.00 -0.80 0.32 -0.46 1.05 0.00 0.00 175.02 175.13 1vle s TRP 387 N 2.33 -0.45 -0.95 4.11 -0.00 0.16 -4.89 118.94 119.25 1vle s TRP 387 Ca 0.16 1.00 0.17 0.00 -0.00 0.00 0.00 56.10 57.44 1vle s TRP 387 Cb -0.16 0.15 0.70 0.00 -0.00 0.00 0.00 33.47 34.16 1vle s TRP 387 CO 0.14 -0.28 1.62 0.43 -0.00 0.00 0.00 176.95 178.86 1vle n SER 388 N 4.18 4.74 0.00 5.86 7.64 -1.26 -3.09 113.62 131.69 1vle n SER 388 Ca -0.24 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.12 1vle n SER 388 Cb 0.54 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.92 0.00 -0.07 0.44 -2.24 -1.26 -4.80 114.28 107.28 1vle n THR 389 Ca 0.25 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.93 1vle n THR 389 Cb 0.91 -0.47 -0.15 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.05 1.50 -3.32 4.28 -2.24 -1.26 -4.88 114.28 106.30 1vle n THR 390 Ca 0.00 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1vle n THR 390 Cb 0.08 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 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 -2.91 1.89 -0.70 -0.78 6.02 -1.26 -4.22 117.38 115.42 1vle n GLN 391 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.72 1vle n GLN 391 Cb 1.11 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.37 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 5.00 0.76 3.76 1.08 0.00 -1.21 -4.35 105.19 110.23 1vle n GLY 392 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1vle n GLY 392 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vle s VAL 393 N -2.75 2.63 -0.44 1.61 1.01 -1.20 -1.64 120.40 119.62 1vle s VAL 393 Ca 0.00 0.57 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 1vle s VAL 393 Cb 0.00 -3.36 -0.14 0.00 0.00 0.00 0.00 36.38 32.88 1vle s VAL 393 CO 0.00 0.11 2.54 -0.81 0.00 0.00 0.00 175.10 176.94 1vle n PRO 394 N 1.64 1.84 -1.89 2.72 -0.04 -1.26 -4.65 135.00 133.35 1vle n PRO 394 Ca 0.04 -1.07 -0.30 0.00 -0.04 0.00 0.00 63.50 62.13 1vle n PRO 394 Cb 0.41 -2.12 0.07 0.00 -0.04 0.00 0.00 33.50 31.82 1vle n PRO 394 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vle s LEU 395 N 0.05 2.69 -0.91 1.53 1.43 -1.26 -4.76 118.68 117.44 1vle s LEU 395 Ca 0.47 0.95 -0.24 0.00 -1.03 0.00 0.00 54.13 54.28 1vle s LEU 395 Cb 0.18 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 1vle s LEU 395 CO -0.02 -1.64 1.83 -0.62 0.23 0.00 0.00 176.35 176.14 1vle s ASP 396 N -4.47 5.44 0.42 2.29 3.68 -1.26 -4.77 116.67 117.99 1vle s ASP 396 Ca 0.60 -0.79 0.29 0.00 2.13 0.00 0.00 52.55 54.78 1vle s ASP 396 Cb -0.11 -2.56 1.38 0.00 -1.45 0.00 0.00 42.92 40.17 1vle s ASP 396 CO 0.50 -2.47 1.88 1.88 0.13 0.00 0.00 175.17 177.10 1vle h TYR 397 N 11.11 0.00 0.00 -5.34 0.99 -1.95 -2.53 116.97 119.25 1vle h TYR 397 Ca 0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.83 1vle h TYR 397 Cb 1.01 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.74 1vle h TYR 397 CO 1.22 0.00 -0.56 0.39 -0.00 0.00 0.00 178.16 179.21 1vle n GLU 398 N -2.60 0.22 -2.61 4.88 1.02 -1.26 -4.81 120.64 115.48 1vle n GLU 398 Ca -0.00 0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 1vle n GLU 398 Cb 0.17 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 29.92 1vle n GLU 398 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1vle s PHE 399 N -3.12 3.64 -0.24 -0.32 5.36 -0.96 -5.02 117.98 117.32 1vle s PHE 399 Ca 0.08 1.62 -0.07 0.00 -0.96 0.00 0.00 56.93 57.59 1vle s PHE 399 Cb 0.14 -3.20 -0.03 0.00 -0.34 0.00 0.00 43.02 39.60 1vle s PHE 399 CO 0.71 -0.35 0.07 -0.47 -1.46 0.00 0.00 175.22 173.71 1vle s TYR 400 N 0.52 3.09 -0.08 10.12 5.04 -1.26 -5.03 117.35 129.74 1vle s TYR 400 Ca 0.52 -0.40 -0.03 0.00 -2.44 0.00 0.00 57.07 54.72 1vle s TYR 400 Cb -0.25 -2.22 0.05 0.00 0.35 0.00 0.00 41.96 39.89 1vle s TYR 400 CO 0.30 -0.32 0.17 0.12 -1.34 0.00 0.00 175.55 174.48 1vle s PHE 401 N 1.51 -0.20 0.62 4.97 5.36 -1.26 -1.68 117.98 127.29 1vle s PHE 401 Ca 0.06 0.62 -0.19 0.00 -0.96 0.00 0.00 56.93 56.46 1vle s PHE 401 Cb -0.15 -0.18 -0.02 0.00 -0.34 0.00 0.00 43.02 42.33 1vle s PHE 401 CO 0.03 -0.25 1.30 -2.30 -1.46 0.00 0.00 175.22 172.55 1vle n PRO 402 N 4.99 1.26 -3.28 10.12 -0.02 -1.26 -5.06 135.00 141.75 1vle n PRO 402 Ca -0.11 0.48 -0.20 0.00 -2.02 0.00 0.00 63.50 61.65 1vle n PRO 402 Cb 0.50 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 -1.25 1.64 0.45 -1.23 0.00 -1.26 -4.79 107.32 100.89 1vle s GLY 403 Ca 0.80 -1.40 0.13 0.00 0.00 0.00 0.00 44.72 44.25 1vle s GLY 403 CO 0.43 -1.28 2.02 0.10 0.00 0.00 0.00 173.10 174.37 1vle h TYR 404 N 0.73 0.08 0.00 1.90 -0.00 -1.34 -2.03 116.97 116.31 1vle h TYR 404 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 1vle h TYR 404 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.97 1vle h TYR 404 CO 0.42 0.18 0.00 0.00 -0.00 0.00 0.00 178.16 178.76 1vle h ALA 405 N 1.83 1.00 0.00 0.10 0.00 -1.63 -2.93 119.26 117.63 1vle h ALA 405 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1vle h ALA 405 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1vle h ALA 405 CO 0.01 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.65 1vle n GLU 406 N -2.41 0.76 0.00 0.00 1.02 -0.76 -0.81 120.64 118.43 1vle n GLU 406 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1vle n GLU 406 Cb 0.17 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.31 2.95 7.00 0.62 0.00 -1.11 -2.66 105.19 112.31 1vle n GLY 407 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1vle n GLY 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vle n GLY 408 N -2.00 3.02 0.21 -0.02 0.00 -1.26 -1.38 105.19 103.76 1vle n GLY 408 Ca 0.00 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 0.07 0.02 -0.61 -5.35 -1.26 -3.98 119.36 108.25 1vle n ILE 409 Ca 0.00 -0.13 -0.22 0.00 -0.27 0.00 0.00 62.75 62.13 1vle n ILE 409 Cb 0.00 -0.04 -0.14 0.00 -1.74 0.00 0.00 39.64 37.72 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 0.87 0.45 -0.46 7.28 4.64 -1.31 -3.44 113.55 121.59 1vle h SER 410 Ca 0.00 -0.94 -0.20 0.00 -0.47 0.00 0.00 61.79 60.18 1vle h SER 410 Cb 0.19 -0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 62.05 1vle h SER 410 CO 0.00 1.83 -0.18 0.61 -0.87 0.00 0.00 176.83 178.22 1vle n GLY 411 N 1.94 1.06 3.58 -0.77 0.00 -1.25 -0.15 105.19 109.61 1vle n GLY 411 Ca -0.30 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.59 5.51 0.51 1.61 -1.08 -1.26 -4.69 116.67 114.68 1vle s ASP 412 Ca 0.00 1.12 0.30 0.00 -0.52 0.00 0.00 52.55 53.46 1vle s ASP 412 Cb 0.00 -2.52 1.14 0.00 -1.46 0.00 0.00 42.92 40.08 1vle s ASP 412 CO 0.00 -2.04 1.90 0.00 0.52 0.00 0.00 175.17 175.55 1vle n GLU 414 N -3.15 0.67 -0.08 0.00 2.13 -1.26 -4.46 120.64 114.49 1vle n GLU 414 Ca 0.01 -0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.89 1vle n GLU 414 Cb 0.36 -1.57 0.10 0.00 0.27 0.00 0.00 31.44 30.61 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 -2.68 2.50 -4.08 4.31 3.02 -1.24 -4.98 115.26 112.11 1vle n ASN 415 Ca -0.23 -1.73 -0.13 0.00 -0.03 0.00 0.00 54.58 52.47 1vle n ASN 415 Cb 0.99 -0.10 -0.09 0.00 -0.61 0.00 0.00 39.78 39.97 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 -1.09 0.29 -0.12 6.41 1.04 -0.99 -5.02 113.70 114.21 1vle s SER 416 Ca 0.21 -1.39 0.08 0.00 0.48 0.00 0.00 55.95 55.32 1vle s SER 416 Cb 0.13 0.42 0.43 0.00 0.10 0.00 0.00 66.02 67.10 1vle s SER 416 CO 0.18 -0.90 1.17 0.00 0.98 0.00 0.00 173.24 174.67 1vle n ALA 417 N -0.32 3.21 -0.35 5.32 0.00 0.01 -4.44 120.51 123.94 1vle n ALA 417 Ca 0.02 -1.01 0.04 0.00 0.00 0.00 0.00 53.44 52.49 1vle n ALA 417 Cb 0.65 -1.06 0.19 0.00 0.00 0.00 0.00 19.45 19.22 1vle n ALA 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vle h ALA 418 N 3.09 1.37 -0.01 0.00 0.00 -1.69 -2.40 119.26 119.62 1vle h ALA 418 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vle h ALA 418 Cb 1.26 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1vle h ALA 418 CO 0.25 0.31 0.17 0.78 0.00 0.00 0.00 179.25 180.77 1vle h GLY 419 N 1.04 0.00 0.58 0.00 0.00 -1.78 -1.44 103.07 101.48 1vle h GLY 419 Ca 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 1vle h GLY 419 CO -0.21 0.00 -0.03 -2.75 0.00 0.00 0.00 176.54 173.55 1vle h PHE 420 N 0.00 -0.09 0.00 5.60 3.57 -1.79 -3.47 116.94 120.77 1vle h PHE 420 Ca 0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1vle h PHE 420 Cb 0.35 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1vle h PHE 420 CO 0.00 0.32 0.00 1.17 -2.23 0.00 0.00 178.31 177.57 1vle n LYS 421 N -4.94 0.00 0.05 1.11 4.81 -1.13 -4.99 118.16 113.08 1vle n LYS 421 Ca -0.08 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.25 1vle n LYS 421 Cb 0.23 -0.07 -0.04 0.00 0.02 0.00 0.00 35.03 35.16 1vle n LYS 421 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1vle h PHE 422 N 0.00 -0.50 -1.01 5.64 3.57 -1.83 -2.53 116.94 120.28 1vle h PHE 422 Ca 0.00 0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.76 1vle h PHE 422 Cb 0.00 0.22 -0.12 0.00 2.79 0.00 0.00 35.95 38.84 1vle h PHE 422 CO 0.00 -0.27 0.61 0.00 -2.23 0.00 0.00 178.31 176.41 1vle h ALA 423 N 0.61 1.84 0.00 2.41 0.00 -1.54 0.78 119.26 123.36 1vle h ALA 423 Ca 0.06 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1vle h ALA 423 Cb 0.38 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1vle h ALA 423 CO -0.18 -0.31 -0.01 -1.49 0.00 0.00 0.00 179.25 177.26 1vle h TRP 424 N 0.56 0.00 0.05 0.00 -0.00 -1.66 -2.54 115.95 112.36 1vle h TRP 424 Ca 0.64 0.00 -0.37 0.00 -0.00 0.00 0.00 58.89 59.16 1vle h TRP 424 Cb 1.26 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 30.37 1vle h TRP 424 CO -0.01 0.01 -2.24 0.54 -0.00 0.00 0.00 178.44 176.74 1vle n ARG 425 N -3.11 0.69 0.07 0.49 1.74 0.23 -4.56 116.66 112.22 1vle n ARG 425 Ca 0.01 0.19 -0.09 0.00 -0.77 0.00 0.00 57.85 57.18 1vle n ARG 425 Cb 0.32 -1.61 0.02 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.03 0.33 -6.48 5.56 4.05 -0.39 -3.44 114.93 114.58 1vle h MET 426 Ca -0.50 -0.30 -0.67 0.00 -0.28 0.00 0.00 59.70 57.95 1vle h MET 426 Cb 1.99 0.07 -0.18 0.00 -0.80 0.00 0.00 31.60 32.68 1vle h MET 426 CO -0.00 0.96 -0.74 -0.06 0.23 0.00 0.00 176.91 177.29 1vle s PHE 427 N -3.49 2.74 -0.69 1.39 0.40 -0.96 -4.97 117.98 112.41 1vle s PHE 427 Ca -0.05 -0.15 0.06 0.00 -0.60 0.00 0.00 56.93 56.20 1vle s PHE 427 Cb 0.10 -1.49 0.03 0.00 0.51 0.00 0.00 43.02 42.17 1vle s PHE 427 CO 0.83 0.37 0.62 -0.40 0.70 0.00 0.00 175.22 177.34 1vle n ASP 428 N 1.16 1.30 -2.16 1.36 5.68 -1.24 -4.77 116.55 117.88 1vle n ASP 428 Ca -0.15 -1.15 -0.21 0.00 -0.50 0.00 0.00 54.79 52.79 1vle n ASP 428 Cb 0.52 0.17 -0.03 0.00 -1.14 0.00 0.00 41.12 40.64 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 0.48 0.23 1.82 6.12 0.00 -1.25 -4.75 105.19 107.84 1vle n GLY 429 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.82 0.00 -0.02 1.61 5.02 -1.26 -5.00 118.16 115.69 1vle n LYS 430 Ca -0.23 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.04 1vle n LYS 430 Cb 0.68 -0.09 -0.03 0.00 -0.02 0.00 0.00 35.03 35.58 1vle n LYS 430 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1vle n THR 431 N -3.05 0.23 -5.11 -0.18 -2.24 -1.26 -5.02 114.28 97.64 1vle n THR 431 Ca 0.00 -0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.35 1vle n THR 431 Cb 0.05 -0.88 -0.16 0.00 -2.10 0.00 0.00 70.33 67.24 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 -2.08 1.84 0.10 4.28 -1.32 -1.26 -5.08 115.64 112.12 1vle s THR 432 Ca -0.02 -0.94 0.07 0.00 -1.21 0.00 0.00 61.69 59.59 1vle s THR 432 Cb 0.01 -1.56 -0.03 0.00 -1.51 0.00 0.00 72.50 69.40 1vle s THR 432 CO 0.13 0.52 -0.18 -0.36 -2.21 0.00 0.00 174.62 172.51 1vle s PHE 433 N -0.06 1.61 0.96 9.09 0.40 -1.26 -3.70 117.98 125.03 1vle s PHE 433 Ca -0.05 -0.44 -0.13 0.00 -0.60 0.00 0.00 56.93 55.72 1vle s PHE 433 Cb -0.13 -0.88 0.17 0.00 0.51 0.00 0.00 43.02 42.69 1vle s PHE 433 CO 0.03 0.17 1.12 -2.14 0.70 0.00 0.00 175.22 175.10 1vle s PRO 434 N -1.96 0.72 -0.51 0.24 0.02 -1.26 -5.01 135.00 127.24 1vle s PRO 434 Ca 0.05 0.35 0.03 0.00 0.02 0.00 0.00 61.00 61.45 1vle s PRO 434 Cb -0.09 -1.78 0.15 0.00 0.02 0.00 0.00 34.50 32.79 1vle s PRO 434 CO 0.04 -2.50 0.31 0.45 -0.33 0.00 0.00 177.00 174.97 1vle s SER 435 N -3.80 3.78 0.70 2.53 0.15 0.79 -5.02 113.70 112.84 1vle s SER 435 Ca 0.65 -3.03 -0.11 0.00 0.70 0.00 0.00 55.95 54.16 1vle s SER 435 Cb -0.16 -1.21 0.01 0.00 -1.71 0.00 0.00 66.02 62.95 1vle s SER 435 CO 0.55 -0.21 1.06 -2.84 1.20 0.00 0.00 173.24 173.01 1vle s PRO 436 N -0.22 2.88 -0.14 5.44 0.02 -1.26 -4.52 135.00 137.20 1vle s PRO 436 Ca 0.21 0.82 0.01 0.00 0.02 0.00 0.00 61.00 62.06 1vle s PRO 436 Cb -0.17 -1.99 0.02 0.00 0.02 0.00 0.00 34.50 32.38 1vle s PRO 436 CO -0.06 -1.11 -0.15 0.45 -0.33 0.00 0.00 177.00 175.80 1vle s SER 437 N -3.92 2.69 0.00 2.53 0.15 -1.26 -4.66 113.70 109.22 1vle s SER 437 Ca 0.58 -0.49 0.15 0.00 0.70 0.00 0.00 55.95 56.89 1vle s SER 437 Cb -0.13 -1.19 0.43 0.00 -1.71 0.00 0.00 66.02 63.41 1vle s SER 437 CO 0.54 -0.03 1.35 -0.46 1.20 0.00 0.00 173.24 175.84 1vle n ASN 438 N 4.62 2.46 -0.05 5.45 6.94 -1.26 -4.09 115.26 129.33 1vle n ASN 438 Ca -0.18 -1.99 -0.09 0.00 -0.02 0.00 0.00 54.58 52.31 1vle n ASN 438 Cb 0.50 -0.30 -0.04 0.00 -2.36 0.00 0.00 39.78 37.58 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 0.84 2.13 -3.81 -4.53 4.77 -1.26 -4.63 117.00 110.51 1vle n LEU 439 Ca 0.16 0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 1vle n LEU 439 Cb 0.39 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1vle n LEU 439 CO 0.11 0.50 2.52 -3.20 -1.33 0.00 0.00 177.39 175.98 1vle n ASN 440 N -3.06 4.14 -3.78 -1.43 2.85 -1.26 -1.51 115.26 111.22 1vle n ASN 440 Ca -0.19 -2.89 -0.10 0.00 -0.11 0.00 0.00 54.58 51.30 1vle n ASN 440 Cb 0.67 -1.64 -0.05 0.00 1.24 0.00 0.00 39.78 40.01 1vle n ASN 440 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1vle s THR 441 N 2.80 0.05 0.26 -0.44 -1.32 -1.26 -4.84 115.64 110.90 1vle s THR 441 Ca 0.46 -0.92 -0.04 0.00 -1.21 0.00 0.00 61.69 59.99 1vle s THR 441 Cb 0.13 -1.53 0.26 0.00 -1.51 0.00 0.00 72.50 69.84 1vle s THR 441 CO -0.06 -0.25 1.89 0.28 -2.21 0.00 0.00 174.62 174.27 1vle h SER 442 N 2.36 1.04 0.63 8.08 0.02 -1.97 -1.14 113.55 122.58 1vle h SER 442 Ca -0.31 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1vle h SER 442 Cb 1.25 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1vle h SER 442 CO 0.44 0.69 0.00 0.00 -1.14 0.00 0.00 176.83 176.82 1vle n ALA 443 N -2.36 2.29 -1.83 3.77 0.00 -1.26 -4.73 120.51 116.39 1vle n ALA 443 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1vle n ALA 443 Cb 0.13 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.05 0.71 3.00 0.00 0.00 -0.43 -5.02 105.19 104.50 1vle n GLY 444 Ca 0.11 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 3.41 0.16 0.28 1.61 0.74 -0.57 -4.86 119.66 120.43 1vle s GLN 445 Ca 0.00 0.46 -0.03 0.00 0.05 0.00 0.00 55.36 55.85 1vle s GLN 445 Cb 0.00 -0.15 -0.02 0.00 1.10 0.00 0.00 33.01 33.94 1vle s GLN 445 CO 0.00 -0.17 0.34 -3.38 -0.55 0.00 0.00 175.29 171.54 1vle s HIS 446 N 1.24 1.05 0.05 1.67 -3.43 -1.26 -4.02 115.29 110.58 1vle s HIS 446 Ca -0.09 -1.25 -0.04 0.00 -0.80 0.00 0.00 55.06 52.88 1vle s HIS 446 Cb -0.11 -0.27 -0.02 0.00 -1.43 0.00 0.00 32.58 30.75 1vle s HIS 446 CO -0.07 -0.91 0.05 0.96 -2.00 0.00 0.00 174.74 172.76 1vle s ILE 447 N -3.66 0.17 0.08 -5.38 -4.36 -0.48 -4.89 121.20 102.68 1vle s ILE 447 Ca 0.33 -1.42 -0.31 0.00 -0.26 0.00 0.00 60.65 59.00 1vle s ILE 447 Cb 0.02 -1.21 -0.06 0.00 1.25 0.00 0.00 42.46 42.46 1vle s ILE 447 CO 0.16 -0.78 1.20 -2.84 0.24 0.00 0.00 174.94 172.92 1vle s PRO 448 N -3.35 4.44 0.31 0.37 0.02 -1.26 -1.68 135.00 133.85 1vle s PRO 448 Ca 0.01 1.79 0.03 0.00 0.02 0.00 0.00 61.00 62.86 1vle s PRO 448 Cb 0.03 -3.33 0.61 0.00 0.02 0.00 0.00 34.50 31.84 1vle s PRO 448 CO -0.08 -0.23 1.90 -0.09 -0.33 0.00 0.00 177.00 178.17 1vle h ARG 449 N 6.54 0.90 0.00 5.54 2.43 -1.57 0.21 114.38 128.44 1vle h ARG 449 Ca -0.42 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1vle h ARG 449 Cb 1.21 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1vle h ARG 449 CO 0.80 0.60 0.00 -0.07 -1.51 0.00 0.00 179.97 179.79 1vle h LEU 450 N 0.93 0.00 -2.93 3.80 3.38 -1.91 -3.17 115.31 115.41 1vle h LEU 450 Ca 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.35 1vle h LEU 450 Cb 0.35 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 1vle h LEU 450 CO -0.17 0.00 -0.50 0.29 0.09 0.00 0.00 178.44 178.15 1vle n LYS 451 N -2.43 1.10 -0.28 1.13 4.76 0.02 -4.77 118.16 117.69 1vle n LYS 451 Ca 0.01 -2.74 -0.05 0.00 -2.87 0.00 0.00 58.31 52.67 1vle n LYS 451 Cb 0.21 -1.20 0.06 0.00 -1.84 0.00 0.00 35.03 32.27 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 2.40 1.21 -0.50 -0.18 2.04 -1.42 -2.29 117.51 118.77 1vle h ILE 452 Ca -0.04 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.40 1vle h ILE 452 Cb 1.20 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1vle h ILE 452 CO 0.02 0.22 0.24 -0.65 0.00 0.00 0.00 178.15 177.98 1vle h PRO 453 N 1.05 0.46 -0.35 2.37 0.11 -1.87 -1.17 132.00 132.59 1vle h PRO 453 Ca 0.28 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.27 1vle h PRO 453 Cb -0.04 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 1vle h PRO 453 CO -0.05 0.30 -0.15 0.93 -0.21 0.00 0.00 178.00 178.82 1vle h GLU 454 N 0.47 0.63 -0.38 1.05 3.07 -1.88 -1.18 114.58 116.36 1vle h GLU 454 Ca 0.22 -0.21 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 1vle h GLU 454 Cb 0.15 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1vle h GLU 454 CO -0.17 0.75 0.04 0.00 -1.40 0.00 0.00 179.01 178.24 1vle h ILE 456 N 0.48 0.55 -0.04 0.00 2.04 -1.06 0.79 117.51 120.27 1vle h ILE 456 Ca 0.11 -0.70 -0.21 0.00 1.00 0.00 0.00 64.86 65.06 1vle h ILE 456 Cb 0.40 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1vle h ILE 456 CO 0.01 0.11 -0.84 0.24 0.00 0.00 0.00 178.15 177.67 1vle h MET 457 N -0.90 0.41 0.00 2.37 2.86 -1.30 -3.30 114.93 115.07 1vle h MET 457 Ca -0.05 -0.39 -0.22 0.00 -2.06 0.00 0.00 59.70 56.99 1vle h MET 457 Cb 0.52 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 1vle h MET 457 CO 0.07 1.05 -1.31 0.78 1.06 0.00 0.00 176.91 178.56 1vle h GLY 458 N 1.26 0.00 -0.05 8.32 0.00 0.03 -3.48 103.07 109.15 1vle h GLY 458 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1vle h GLY 458 CO 0.15 0.00 -0.02 0.61 0.00 0.00 0.00 176.54 177.28 1vle n GLY 459 N 1.42 0.44 3.56 4.60 0.00 0.27 -4.97 105.19 110.51 1vle n GLY 459 Ca -0.09 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.92 0.71 -0.08 1.61 2.20 -1.25 -4.42 119.74 117.58 1vle s LYS 460 Ca 0.00 0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.43 1vle s LYS 460 Cb 0.00 0.33 0.12 0.00 -1.51 0.00 0.00 37.83 36.77 1vle s LYS 460 CO 0.00 -0.23 0.97 0.12 -0.36 0.00 0.00 175.35 175.85 1vle s PHE 461 N -1.34 -0.32 -0.04 4.03 5.36 -0.57 -4.54 117.98 120.57 1vle s PHE 461 Ca -0.03 0.32 -0.02 0.00 -0.96 0.00 0.00 56.93 56.24 1vle s PHE 461 Cb -0.00 0.51 0.02 0.00 -0.34 0.00 0.00 43.02 43.21 1vle s PHE 461 CO 0.02 -0.43 0.08 -1.14 -1.46 0.00 0.00 175.22 172.29 1vle s GLN 462 N -2.38 0.05 0.36 10.12 -0.44 -1.26 -0.13 119.66 125.97 1vle s GLN 462 Ca 0.04 0.21 -0.09 0.00 -2.50 0.00 0.00 55.36 53.01 1vle s GLN 462 Cb -0.01 -0.11 0.04 0.00 -1.64 0.00 0.00 33.01 31.29 1vle s GLN 462 CO -0.05 -0.10 0.63 -2.67 0.50 0.00 0.00 175.29 173.60 1vle n TRP 463 N 3.73 -1.93 -4.60 1.67 2.14 -0.71 -5.01 117.44 112.73 1vle n TRP 463 Ca -0.21 -1.96 -0.34 0.00 2.07 0.00 0.00 57.50 57.07 1vle n TRP 463 Cb 0.54 0.73 -0.12 0.00 -0.81 0.00 0.00 31.31 31.65 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 -3.00 4.53 0.19 -0.67 0.01 -1.26 -1.11 113.70 112.39 1vle s SER 464 Ca 0.20 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.33 1vle s SER 464 Cb -0.03 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.75 1vle s SER 464 CO 0.15 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1vle n GLY 465 N 2.94 -2.92 3.12 3.44 0.00 0.83 -4.68 105.19 107.92 1vle n GLY 465 Ca -0.18 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.60 2.86 0.87 1.61 2.20 -1.26 -4.89 119.74 117.54 1vle s LYS 466 Ca 0.00 -0.93 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 1vle s LYS 466 Cb 0.00 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 1vle s LYS 466 CO 0.00 -0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 1vle n GLY 467 N 4.59 2.65 3.51 5.54 0.00 -1.26 -3.72 105.19 116.50 1vle n GLY 467 Ca -0.19 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 2.64 -1.26 1.61 0.40 -1.22 -4.42 117.98 115.73 1vle s PHE 468 Ca 0.00 -0.14 -0.07 0.00 -0.60 0.00 0.00 56.93 56.11 1vle s PHE 468 Cb 0.00 -4.29 0.18 0.00 0.51 0.00 0.00 43.02 39.42 1vle s PHE 468 CO 0.00 -1.60 1.96 0.00 0.70 0.00 0.00 175.22 176.28 1vle n ALA 469 N 7.99 5.75 1.36 5.36 0.00 -1.24 -4.70 120.51 135.03 1vle n ALA 469 Ca 0.01 -4.33 0.14 0.00 0.00 0.00 0.00 53.44 49.25 1vle n ALA 469 Cb 0.47 -2.81 0.49 0.00 0.00 0.00 0.00 19.45 17.60 1vle n ALA 469 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vle n GLY 470 N 2.21 -0.58 0.14 0.00 0.00 -1.26 -4.32 105.19 101.37 1vle n GLY 470 Ca 0.44 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 4.92 0.24 -3.09 -0.02 0.00 -1.84 -3.01 103.07 100.28 1vle h GLY 471 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 1vle h GLY 471 CO 0.00 -0.10 0.15 -0.35 0.00 0.00 0.00 176.54 176.24 1vle s ASP 472 N -5.22 -0.51 0.25 0.19 2.15 -1.26 -4.85 116.67 107.42 1vle s ASP 472 Ca -0.14 -0.02 -0.05 0.00 0.43 0.00 0.00 52.55 52.78 1vle s ASP 472 Cb 0.12 0.57 0.49 0.00 -0.30 0.00 0.00 42.92 43.80 1vle s ASP 472 CO 0.70 -0.92 1.65 0.40 -0.17 0.00 0.00 175.17 176.82 1vle h ILE 473 N 2.15 0.37 -0.08 4.11 2.04 -1.88 -1.92 117.51 122.31 1vle h ILE 473 Ca -0.34 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1vle h ILE 473 Cb 1.29 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1vle h ILE 473 CO 0.40 0.03 0.00 -1.20 0.00 0.00 0.00 178.15 177.38 1vle n SER 474 N -5.29 1.10 -0.17 1.72 7.64 -1.26 -4.16 113.62 113.20 1vle n SER 474 Ca 0.15 -1.52 0.00 0.00 1.01 0.00 0.00 58.87 58.51 1vle n SER 474 Cb 0.51 -0.05 0.25 0.00 -1.01 0.00 0.00 64.21 63.91 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 1.55 0.88 0.00 1.43 3.86 -1.63 -1.59 115.15 119.65 1vle h HIS 475 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1vle h HIS 475 Cb 0.34 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1vle h HIS 475 CO 0.05 0.60 0.00 0.00 0.86 0.00 0.00 177.93 179.43 1vle n GLN 476 N -4.39 0.03 0.08 2.45 10.64 -1.26 -2.12 117.38 122.81 1vle n GLN 476 Ca 0.07 0.38 0.12 0.00 -1.83 0.00 0.00 57.00 55.74 1vle n GLN 476 Cb 0.08 -1.58 0.12 0.00 -0.86 0.00 0.00 30.24 28.00 1vle n GLN 476 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1vle h LEU 477 N 0.00 0.00 -9.83 2.61 3.38 -1.57 -2.68 115.31 107.22 1vle h LEU 477 Ca 0.00 -0.16 -0.55 0.00 0.09 0.00 0.00 57.88 57.26 1vle h LEU 477 Cb 0.16 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.02 1vle h LEU 477 CO 0.00 0.08 0.71 1.57 0.09 0.00 0.00 178.44 180.89 1vle n HIS 478 N -2.29 2.71 -3.43 1.13 -0.00 -0.90 -4.65 115.22 107.79 1vle n HIS 478 Ca 0.02 0.44 -0.38 0.00 0.46 0.00 0.00 57.72 58.26 1vle n HIS 478 Cb 0.47 -2.51 -0.06 0.00 -0.12 0.00 0.00 29.99 27.77 1vle n HIS 478 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1vle s GLN 479 N -1.60 4.06 0.23 1.57 -1.52 -1.26 -0.12 119.66 121.01 1vle s GLN 479 Ca 0.57 0.45 0.04 0.00 -1.95 0.00 0.00 55.36 54.47 1vle s GLN 479 Cb -0.52 -3.28 -0.05 0.00 -0.22 0.00 0.00 33.01 28.94 1vle s GLN 479 CO 0.59 0.56 -0.01 0.71 -0.25 0.00 0.00 175.29 176.89 1vle s TYR 480 N -0.67 1.55 0.09 0.91 1.51 -0.27 -4.94 117.35 115.53 1vle s TYR 480 Ca 0.25 -0.91 -0.10 0.00 -1.01 0.00 0.00 57.07 55.30 1vle s TYR 480 Cb -0.17 -0.89 0.00 0.00 -0.11 0.00 0.00 41.96 40.80 1vle s TYR 480 CO 0.13 -0.02 0.22 -1.83 -1.11 0.00 0.00 175.55 172.94 1vle s GLU 481 N -3.85 0.87 -0.03 -0.62 -1.05 -1.26 -1.74 118.70 111.01 1vle s GLU 481 Ca 0.28 -0.90 0.01 0.00 -0.15 0.00 0.00 54.97 54.21 1vle s GLU 481 Cb 0.05 0.36 0.02 0.00 -0.44 0.00 0.00 34.13 34.13 1vle s GLU 481 CO 0.08 -0.29 -0.01 -0.47 0.95 0.00 0.00 175.26 175.52 1vle s TYR 482 N -3.77 0.44 0.45 4.83 5.04 0.81 -2.99 117.35 122.16 1vle s TYR 482 Ca 0.04 -0.06 -0.22 0.00 -2.44 0.00 0.00 57.07 54.39 1vle s TYR 482 Cb 0.04 -0.47 -0.08 0.00 0.35 0.00 0.00 41.96 41.80 1vle s TYR 482 CO -0.11 -0.14 1.10 -1.25 -1.34 0.00 0.00 175.55 173.82 1vle s PRO 483 N 0.94 3.84 0.54 4.97 0.04 -1.26 -1.51 135.00 142.57 1vle s PRO 483 Ca -0.10 1.61 -0.21 0.00 0.04 0.00 0.00 61.00 62.34 1vle s PRO 483 Cb -0.14 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 32.00 1vle s PRO 483 CO -0.01 -0.44 1.24 0.00 0.04 0.00 0.00 177.00 177.83 1vle s ALA 484 N -1.68 2.73 -0.29 8.56 0.00 -1.16 -4.86 121.76 125.07 1vle s ALA 484 Ca 0.63 1.08 -0.42 0.00 0.00 0.00 0.00 51.96 53.26 1vle s ALA 484 Cb -0.24 -3.47 -0.17 0.00 0.00 0.00 0.00 23.12 19.24 1vle s ALA 484 CO 0.29 -1.09 1.64 -2.30 0.00 0.00 0.00 175.76 174.31 1vle n PRO 485 N -1.14 0.81 0.00 0.00 -0.02 -1.26 -0.76 135.00 132.63 1vle n PRO 485 Ca 0.11 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1vle n PRO 485 Cb 0.48 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1vle n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vle n GLY 486 N 3.87 3.07 3.94 -1.23 0.00 -1.26 -5.02 105.19 108.56 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 -1.41 2.92 0.05 1.61 1.51 0.06 -5.10 117.35 116.99 1vle s TYR 487 Ca 0.00 0.36 0.00 0.00 -1.01 0.00 0.00 57.07 56.42 1vle s TYR 487 Cb 0.00 -3.09 -0.04 0.00 -0.11 0.00 0.00 41.96 38.72 1vle s TYR 487 CO 0.00 -1.28 0.18 0.45 -1.11 0.00 0.00 175.55 173.79 1vle s SER 488 N -4.49 6.19 0.84 2.29 0.15 -1.26 -4.68 113.70 112.74 1vle s SER 488 Ca 0.59 0.23 -0.11 0.00 0.70 0.00 0.00 55.95 57.36 1vle s SER 488 Cb -0.11 -1.87 0.10 0.00 -1.71 0.00 0.00 66.02 62.43 1vle s SER 488 CO 0.43 0.19 1.10 -0.54 1.20 0.00 0.00 173.24 175.62 1vle s LYS 489 N -2.39 1.67 0.23 5.44 1.02 -1.26 -4.26 119.74 120.18 1vle s LYS 489 Ca 0.33 1.10 -0.30 0.00 0.02 0.00 0.00 55.97 57.12 1vle s LYS 489 Cb -0.13 -1.83 -0.10 0.00 -0.52 0.00 0.00 37.83 35.25 1vle s LYS 489 CO 0.25 -2.04 1.42 0.42 -0.92 0.00 0.00 175.35 174.48 1vle s ILE 490 N -2.86 2.79 0.00 2.17 -1.09 -1.26 -4.43 121.20 116.51 1vle s ILE 490 Ca 0.63 0.65 0.00 0.00 -2.23 0.00 0.00 60.65 59.70 1vle s ILE 490 Cb -0.18 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1vle s ILE 490 CO 0.57 0.10 0.00 0.29 -1.23 0.00 0.00 174.94 174.67 1vle n LYS 491 N 2.54 3.06 -4.21 2.79 4.76 0.39 -4.76 118.16 122.74 1vle n LYS 491 Ca 0.07 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.33 1vle n LYS 491 Cb 0.41 -0.93 -0.12 0.00 -1.84 0.00 0.00 35.03 32.54 1vle n LYS 491 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1vle s MET 492 N -1.84 0.78 -0.18 1.97 1.75 -0.86 -1.18 119.30 119.74 1vle s MET 492 Ca 0.00 -0.83 -0.01 0.00 -1.25 0.00 0.00 55.69 53.60 1vle s MET 492 Cb 0.00 -0.75 0.05 0.00 2.84 0.00 0.00 34.83 36.97 1vle s MET 492 CO 0.00 0.17 -0.02 0.12 -0.65 0.00 0.00 175.02 174.64 1vle s PHE 493 N -1.11 1.51 -0.63 4.11 5.99 -0.11 0.06 117.98 127.79 1vle s PHE 493 Ca -0.02 -1.05 -0.16 0.00 0.00 0.00 0.00 56.93 55.70 1vle s PHE 493 Cb -0.09 -1.22 0.15 0.00 0.00 0.00 0.00 43.02 41.86 1vle s PHE 493 CO 0.02 -0.62 0.60 -0.46 -0.00 0.00 0.00 175.22 174.76 1vle s TRP 494 N 1.69 3.37 0.24 10.12 -0.11 0.17 -1.32 118.94 133.10 1vle s TRP 494 Ca -0.01 -1.46 -0.18 0.00 1.22 0.00 0.00 56.10 55.67 1vle s TRP 494 Cb -0.16 -3.83 -0.08 0.00 -1.50 0.00 0.00 33.47 27.89 1vle s TRP 494 CO -0.07 -1.04 0.71 0.15 -4.62 0.00 0.00 176.95 172.07 1vle s LYS 495 N 1.30 4.15 -0.31 5.86 1.02 0.17 -2.90 119.74 129.04 1vle s LYS 495 Ca 0.08 0.77 0.02 0.00 0.02 0.00 0.00 55.97 56.87 1vle s LYS 495 Cb -0.23 -2.76 0.09 0.00 -0.52 0.00 0.00 37.83 34.41 1vle s LYS 495 CO -0.00 0.34 0.02 -0.47 -0.92 0.00 0.00 175.35 174.31 1vle s TYR 496 N -1.65 3.09 0.00 3.18 5.04 -0.97 -0.42 117.35 125.62 1vle s TYR 496 Ca 0.46 -2.48 0.00 0.00 -2.44 0.00 0.00 57.07 52.61 1vle s TYR 496 Cb -0.15 -2.35 0.00 0.00 0.35 0.00 0.00 41.96 39.81 1vle s TYR 496 CO 0.20 -0.90 0.00 0.41 -1.34 0.00 0.00 175.55 173.92 1vle n GLY 497 N 4.45 -2.82 2.71 8.97 0.00 -0.47 -4.15 105.19 113.90 1vle n GLY 497 Ca -0.02 -1.69 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 1vle n GLY 497 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vle n GLY 498 N -0.70 0.15 0.75 -0.02 0.00 -1.26 -4.81 105.19 99.29 1vle n GLY 498 Ca 0.00 0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 0.32 1.82 0.10 1.61 -0.04 -1.26 -1.15 135.00 136.40 1vle n PRO 499 Ca 0.02 -1.50 0.14 0.00 -0.04 0.00 0.00 63.50 62.12 1vle n PRO 499 Cb 0.72 -1.46 0.65 0.00 -0.04 0.00 0.00 33.50 33.37 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 3.66 0.04 0.00 0.54 3.86 -1.95 -0.78 115.15 120.53 1vle h HIS 500 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1vle h HIS 500 Cb 0.89 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.34 1vle h HIS 500 CO 0.00 0.02 -0.02 -0.07 0.86 0.00 0.00 177.93 178.72 1vle h LEU 501 N 0.04 0.00 -1.54 2.43 3.38 -1.87 -1.86 115.31 115.89 1vle h LEU 501 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1vle h LEU 501 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1vle h LEU 501 CO -0.01 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1vle n GLY 502 N -1.29 -0.15 0.00 0.83 0.00 -0.37 -4.52 105.19 99.69 1vle n GLY 502 Ca -0.03 -0.26 0.00 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 0.48 0.00 -0.38 2.61 -2.24 -0.77 -1.10 114.28 112.88 1vle n THR 503 Ca 0.06 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1vle n THR 503 Cb 0.25 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.08 3.50 -4.66 -0.78 2.81 -0.73 -4.95 117.12 111.22 1vle n MET 504 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.62 1vle n MET 504 Cb 0.00 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.37 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 3.11 1.87 -1.06 2.03 -4.23 -1.26 -4.75 115.64 111.35 1vle s THR 505 Ca 0.00 -1.35 -0.10 0.00 -1.18 0.00 0.00 61.69 59.06 1vle s THR 505 Cb 0.00 -1.63 0.01 0.00 1.34 0.00 0.00 72.50 72.23 1vle s THR 505 CO 0.00 0.21 0.19 0.00 -0.54 0.00 0.00 174.62 174.48 1vle n ALA 506 N 1.65 -1.92 0.00 3.99 0.00 0.36 -4.72 120.51 119.87 1vle n ALA 506 Ca -0.17 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1vle n ALA 506 Cb 0.53 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 -3.80 1.05 0.23 0.00 -2.24 -0.93 -2.78 114.28 105.80 1vle n THR 507 Ca -0.18 0.30 0.06 0.00 -2.27 0.00 0.00 64.05 61.96 1vle n THR 507 Cb 0.48 -1.30 0.54 0.00 -2.10 0.00 0.00 70.33 67.95 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 0.26 3.42 2.35 -1.84 -0.99 115.58 118.78 1vle h ASN 508 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1vle h ASN 508 Cb 0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1vle h ASN 508 CO 0.00 0.17 -0.14 0.08 -1.65 0.00 0.00 177.43 175.89 1vle h ARG 509 N 0.00 0.00 -0.04 0.81 0.11 -1.83 -1.24 114.38 112.18 1vle h ARG 509 Ca -0.00 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.94 1vle h ARG 509 Cb 0.31 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.38 1vle h ARG 509 CO 0.02 0.14 -0.60 1.88 0.10 0.00 0.00 179.97 181.51 1vle h TYR 510 N 0.00 0.19 -0.02 4.08 -1.99 -1.42 -2.47 116.97 115.35 1vle h TYR 510 Ca -0.00 -0.07 -0.21 0.00 2.00 0.00 0.00 58.73 60.45 1vle h TYR 510 Cb 0.31 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.00 1vle h TYR 510 CO 0.00 0.71 -0.87 0.00 -0.00 0.00 0.00 178.16 178.00 1vle h ALA 511 N 1.27 0.48 -0.43 3.88 0.00 -1.22 -3.31 119.26 119.93 1vle h ALA 511 Ca -0.01 -0.69 -0.14 0.00 0.00 0.00 0.00 54.91 54.08 1vle h ALA 511 Cb 1.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1vle h ALA 511 CO 0.09 0.84 -0.28 0.87 0.00 0.00 0.00 179.25 180.77 1vle h LYS 512 N 0.20 0.93 -0.29 0.00 1.57 -1.17 -3.26 116.57 114.55 1vle h LYS 512 Ca -0.06 -0.43 0.07 0.00 -1.87 0.00 0.00 60.65 58.37 1vle h LYS 512 Cb 1.49 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.76 1vle h LYS 512 CO 0.14 1.09 0.20 0.00 -0.57 0.00 0.00 179.45 180.31 1vle h MET 513 N 0.79 0.07 0.00 3.15 -0.00 -1.53 -2.90 114.93 114.51 1vle h MET 513 Ca 0.09 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.78 1vle h MET 513 Cb 0.85 -0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 32.43 1vle h MET 513 CO 0.07 0.05 -0.04 1.88 -0.00 0.00 0.00 176.91 178.87 1vle h TYR 514 N 0.07 0.00 -0.36 -0.10 -1.99 -1.71 -2.52 116.97 110.36 1vle h TYR 514 Ca 0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.86 1vle h TYR 514 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.18 1vle h TYR 514 CO -0.00 0.04 0.00 0.25 -0.00 0.00 0.00 178.16 178.45 1vle n THR 515 N -4.22 0.48 -2.30 -2.88 -2.24 -1.09 -4.83 114.28 97.20 1vle n THR 515 Ca -0.03 -0.57 -0.41 0.00 -2.27 0.00 0.00 64.05 60.77 1vle n THR 515 Cb 0.13 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1vle n THR 515 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1vle s HIS 516 N -1.52 3.35 -1.30 4.78 5.04 -0.95 -3.99 115.29 120.70 1vle s HIS 516 Ca 0.34 1.29 0.09 0.00 -1.54 0.00 0.00 55.06 55.23 1vle s HIS 516 Cb 0.18 -3.52 0.42 0.00 0.04 0.00 0.00 32.58 29.70 1vle s HIS 516 CO 0.25 -1.58 1.19 -0.40 -2.34 0.00 0.00 174.74 171.86 1vle n ASP 517 N 2.85 0.00 0.20 9.88 5.75 -1.26 -1.59 116.55 132.37 1vle n ASP 517 Ca 0.06 0.26 0.11 0.00 -0.01 0.00 0.00 54.79 55.21 1vle n ASP 517 Cb 0.44 -0.35 0.13 0.00 -1.03 0.00 0.00 41.12 40.31 1vle n ASP 517 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1vle h SER 518 N 0.00 0.00 -2.32 -1.12 4.64 -1.90 -3.41 113.55 109.44 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 -0.11 0.00 -0.31 0.00 0.00 62.40 62.08 1vle h SER 518 CO 0.00 0.07 0.93 -0.76 -0.87 0.00 0.00 176.83 176.19 1vle s LEU 519 N -6.15 3.71 0.19 5.97 1.43 -0.62 -4.57 118.68 118.63 1vle s LEU 519 Ca 0.06 -0.83 0.08 0.00 -1.03 0.00 0.00 54.13 52.41 1vle s LEU 519 Cb 0.06 -2.51 0.06 0.00 0.03 0.00 0.00 46.19 43.83 1vle s LEU 519 CO 0.69 -1.63 1.44 -0.33 0.23 0.00 0.00 176.35 176.75 1vle h GLU 520 N 9.78 0.01 -2.62 1.70 5.08 -1.39 -3.46 114.58 123.68 1vle h GLU 520 Ca -0.20 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.04 1vle h GLU 520 Cb 1.05 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.05 1vle h GLU 520 CO 1.26 0.82 -0.23 0.12 -1.00 0.00 0.00 179.01 179.98 1vle s PHE 521 N -3.14 -0.57 -0.09 4.33 5.36 -1.13 -5.04 117.98 117.69 1vle s PHE 521 Ca -0.00 1.29 0.01 0.00 -0.96 0.00 0.00 56.93 57.27 1vle s PHE 521 Cb 0.11 0.24 0.02 0.00 -0.34 0.00 0.00 43.02 43.05 1vle s PHE 521 CO 0.79 -0.30 -0.12 0.08 -1.46 0.00 0.00 175.22 174.21 1vle s VAL 522 N 0.87 1.21 -0.05 3.12 1.01 -1.26 -0.94 120.40 124.36 1vle s VAL 522 Ca -0.05 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1vle s VAL 522 Cb -0.06 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1vle s VAL 522 CO -0.07 0.38 -0.23 -0.69 0.00 0.00 0.00 175.10 174.49 1vle s VAL 523 N 1.07 1.89 -0.17 2.92 1.01 -0.44 -0.40 120.40 126.28 1vle s VAL 523 Ca -0.06 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1vle s VAL 523 Cb -0.15 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.66 1vle s VAL 523 CO -0.01 0.53 -0.19 -0.55 0.00 0.00 0.00 175.10 174.88 1vle s SER 524 N -0.19 3.04 -0.53 3.32 0.15 0.10 0.44 113.70 120.04 1vle s SER 524 Ca -0.02 -0.62 -0.07 0.00 0.70 0.00 0.00 55.95 55.95 1vle s SER 524 Cb -0.12 -1.42 0.14 0.00 -1.71 0.00 0.00 66.02 62.91 1vle s SER 524 CO 0.03 -0.01 0.38 -1.58 1.20 0.00 0.00 173.24 173.25 1vle s GLN 525 N 1.33 2.50 0.34 5.44 0.74 0.44 0.21 119.66 130.66 1vle s GLN 525 Ca 0.05 -2.02 0.07 0.00 0.05 0.00 0.00 55.36 53.51 1vle s GLN 525 Cb -0.13 -3.86 -0.03 0.00 1.10 0.00 0.00 33.01 30.09 1vle s GLN 525 CO -0.12 -1.17 0.27 -1.12 -0.55 0.00 0.00 175.29 172.59 1vle s SER 526 N 1.99 1.78 -0.26 6.67 0.01 -0.88 -1.36 113.70 121.65 1vle s SER 526 Ca 0.10 -1.76 -0.06 0.00 1.31 0.00 0.00 55.95 55.53 1vle s SER 526 Cb -0.23 0.56 -0.14 0.00 0.21 0.00 0.00 66.02 66.43 1vle s SER 526 CO -0.03 -1.06 -0.29 -0.38 0.41 0.00 0.00 173.24 171.90 1vle n ILE 527 N -0.65 1.44 -4.43 1.44 5.41 -1.26 -0.72 119.36 120.59 1vle n ILE 527 Ca 0.07 -0.45 -0.31 0.00 1.00 0.00 0.00 62.75 63.06 1vle n ILE 527 Cb 0.62 -1.64 -0.11 0.00 -0.71 0.00 0.00 39.64 37.80 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 -2.49 2.71 -0.90 1.39 0.51 -1.26 -1.41 118.94 117.49 1vle s TRP 528 Ca -0.36 -0.16 -0.22 0.00 -2.12 0.00 0.00 56.10 53.25 1vle s TRP 528 Cb 0.12 -1.48 0.08 0.00 -0.81 0.00 0.00 33.47 31.38 1vle s TRP 528 CO 0.52 0.36 1.23 0.12 -0.51 0.00 0.00 176.95 178.66 1vle s PHE 529 N -1.06 2.76 0.34 -1.98 5.36 0.13 -4.79 117.98 118.73 1vle s PHE 529 Ca 0.18 -0.93 -0.17 0.00 -0.96 0.00 0.00 56.93 55.04 1vle s PHE 529 Cb -0.11 -4.46 0.04 0.00 -0.34 0.00 0.00 43.02 38.14 1vle s PHE 529 CO 0.09 -1.73 0.74 -1.83 -1.46 0.00 0.00 175.22 171.04 1vle s GLU 530 N 4.01 2.03 2.72 10.12 -1.05 -1.26 -4.92 118.70 130.34 1vle s GLU 530 Ca 0.36 -1.26 0.00 0.00 -0.15 0.00 0.00 54.97 53.92 1vle s GLU 530 Cb -0.05 0.61 0.00 0.00 -0.44 0.00 0.00 34.13 34.25 1vle s GLU 530 CO -0.04 -0.94 0.00 0.41 0.95 0.00 0.00 175.26 175.64 1vle n GLY 531 N -0.50 2.23 0.11 -3.83 0.00 -1.19 -1.41 105.19 100.60 1vle n GLY 531 Ca -0.06 0.41 0.13 0.00 0.00 0.00 0.00 46.02 46.50 1vle n GLY 531 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1vle h GLU 532 N 0.00 0.00 -0.97 1.61 5.08 -1.49 -3.37 114.58 115.43 1vle h GLU 532 Ca 0.00 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 1vle h GLU 532 Cb 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 1vle h GLU 532 CO 0.00 0.00 0.61 0.28 -1.00 0.00 0.00 179.01 178.90 1vle h VAL 533 N 0.00 0.75 0.00 3.13 2.07 -1.45 -2.09 116.25 118.66 1vle h VAL 533 Ca 0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1vle h VAL 533 Cb 0.78 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1vle h VAL 533 CO 0.00 0.13 0.00 -2.65 0.02 0.00 0.00 177.57 175.07 1vle n PRO 534 N -4.66 0.53 0.00 1.57 -0.02 -1.26 -2.23 135.00 128.93 1vle n PRO 534 Ca 0.21 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.74 1vle n PRO 534 Cb 0.55 -1.05 -0.05 0.00 -0.02 0.00 0.00 33.50 32.93 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 -0.35 0.00 -1.98 6.00 3.01 -0.79 -3.33 117.46 120.03 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 0.03 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.51 1vle n PHE 535 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1vle s ALA 536 N -1.93 2.73 -0.02 4.37 0.00 -0.95 -4.52 121.76 121.45 1vle s ALA 536 Ca 0.04 0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 1vle s ALA 536 Cb 0.08 -3.23 -0.28 0.00 0.00 0.00 0.00 23.12 19.70 1vle s ALA 536 CO 0.41 -0.87 0.78 -0.44 0.00 0.00 0.00 175.76 175.64 1vle h ASP 537 N 0.28 0.40 -3.55 0.00 3.32 -1.07 -3.41 116.42 112.39 1vle h ASP 537 Ca -0.46 -0.60 -0.41 0.00 0.02 0.00 0.00 57.03 55.58 1vle h ASP 537 Cb 1.22 -0.13 -0.33 0.00 0.22 0.00 0.00 39.33 40.31 1vle h ASP 537 CO 0.57 1.50 -0.78 -0.63 -1.72 0.00 0.00 179.24 178.19 1vle s ILE 538 N -2.61 0.59 -0.15 0.35 -1.09 -0.99 -0.68 121.20 116.63 1vle s ILE 538 Ca -0.11 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.13 1vle s ILE 538 Cb 0.07 -0.59 -0.00 0.00 -1.58 0.00 0.00 42.46 40.36 1vle s ILE 538 CO 0.84 0.22 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.99 1vle s ILE 539 N 0.69 2.61 -0.23 2.92 1.01 0.24 -0.72 121.20 127.72 1vle s ILE 539 Ca -0.10 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 1vle s ILE 539 Cb -0.13 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 1vle s ILE 539 CO 0.01 0.52 0.00 -0.76 0.00 0.00 0.00 174.94 174.71 1vle s LEU 540 N 0.79 3.13 -0.29 2.97 1.43 0.13 -1.39 118.68 125.45 1vle s LEU 540 Ca -0.06 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 1vle s LEU 540 Cb -0.15 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.26 1vle s LEU 540 CO 0.00 -0.02 1.22 -2.84 0.23 0.00 0.00 176.35 174.95 1vle s PRO 541 N 1.48 3.99 0.26 1.29 0.02 -1.26 -2.07 135.00 138.71 1vle s PRO 541 Ca 0.06 1.22 0.07 0.00 0.02 0.00 0.00 61.00 62.37 1vle s PRO 541 Cb -0.15 -3.82 -0.03 0.00 0.02 0.00 0.00 34.50 30.52 1vle s PRO 541 CO -0.00 -1.01 0.23 0.00 -0.33 0.00 0.00 177.00 175.88 1vle s ALA 542 N 4.05 3.66 0.37 -1.55 0.00 0.10 -1.79 121.76 126.59 1vle s ALA 542 Ca 0.52 -1.43 0.07 0.00 0.00 0.00 0.00 51.96 51.13 1vle s ALA 542 Cb -0.16 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 1vle s ALA 542 CO 0.20 0.22 0.35 0.00 0.00 0.00 0.00 175.76 176.52 1vle s THR 544 N -2.35 2.01 -0.48 0.00 -4.23 -1.26 -4.82 115.64 104.51 1vle s THR 544 Ca 0.44 -0.01 0.22 0.00 -1.18 0.00 0.00 61.69 61.16 1vle s THR 544 Cb -0.05 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 71.02 1vle s THR 544 CO 0.28 0.00 1.67 -0.46 -0.54 0.00 0.00 174.62 175.57 1vle n ASN 545 N -3.46 0.59 0.00 3.99 6.94 -1.26 -2.05 115.26 120.01 1vle n ASN 545 Ca 0.11 0.67 0.15 0.00 -0.02 0.00 0.00 54.58 55.48 1vle n ASN 545 Cb 0.60 -0.79 0.76 0.00 -2.36 0.00 0.00 39.78 38.00 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 -2.18 0.00 -1.14 -2.53 3.01 -1.26 -3.38 117.46 109.98 1vle n PHE 546 Ca 0.02 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.54 1vle n PHE 546 Cb 0.19 -0.27 0.21 0.00 -0.01 0.00 0.00 39.48 39.60 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 -1.27 2.20 -3.74 -1.08 1.02 -0.87 -1.77 120.64 115.13 1vle n GLU 547 Ca 0.15 -2.87 -0.09 0.00 -0.02 0.00 0.00 57.16 54.33 1vle n GLU 547 Cb 0.23 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 29.88 1vle n GLU 547 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1vle s ARG 548 N -2.95 1.57 -0.02 3.49 1.70 -1.22 -4.41 118.95 117.11 1vle s ARG 548 Ca 0.40 -0.86 -0.18 0.00 -0.47 0.00 0.00 55.73 54.62 1vle s ARG 548 Cb 0.34 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 35.24 1vle s ARG 548 CO 0.05 -0.70 0.51 -1.58 -1.08 0.00 0.00 175.30 172.50 1vle s TRP 549 N -3.88 3.68 0.32 5.89 0.52 -1.26 -3.46 118.94 120.74 1vle s TRP 549 Ca 0.09 1.08 -0.12 0.00 0.02 0.00 0.00 56.10 57.17 1vle s TRP 549 Cb -0.03 -2.48 0.05 0.00 -1.15 0.00 0.00 33.47 29.85 1vle s TRP 549 CO 0.00 0.43 0.63 -3.47 0.02 0.00 0.00 176.95 174.57 1vle n ASP 550 N 2.53 -1.85 -3.77 2.95 -0.08 -0.71 -4.72 116.55 110.91 1vle n ASP 550 Ca -0.10 -2.29 -0.13 0.00 -1.51 0.00 0.00 54.79 50.77 1vle n ASP 550 Cb 0.51 3.08 -0.10 0.00 2.34 0.00 0.00 41.12 46.95 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 -2.28 0.04 0.23 5.18 2.07 -1.26 -0.36 121.20 124.81 1vle s ILE 551 Ca 0.13 -0.31 -0.21 0.00 -1.41 0.00 0.00 60.65 58.84 1vle s ILE 551 Cb -0.04 -0.53 0.07 0.00 0.13 0.00 0.00 42.46 42.08 1vle s ILE 551 CO 0.10 -0.17 0.95 -0.94 -1.91 0.00 0.00 174.94 172.96 1vle s SER 552 N -0.77 -0.05 0.02 4.50 1.04 -1.05 -1.55 113.70 115.84 1vle s SER 552 Ca -0.09 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.68 1vle s SER 552 Cb -0.04 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 1vle s SER 552 CO 0.03 -1.15 -0.16 -0.70 0.98 0.00 0.00 173.24 172.24 1vle s GLU 553 N -2.56 1.16 -0.45 4.02 2.12 -1.26 -1.52 118.70 120.22 1vle s GLU 553 Ca 0.18 -0.69 -0.42 0.00 0.36 0.00 0.00 54.97 54.39 1vle s GLU 553 Cb -0.03 -1.17 -0.17 0.00 0.26 0.00 0.00 34.13 33.02 1vle s GLU 553 CO 0.06 0.31 2.07 0.34 -0.54 0.00 0.00 175.26 177.49 1vle n PHE 554 N 2.26 1.40 -1.18 5.30 -0.00 0.64 -1.35 117.46 124.53 1vle n PHE 554 Ca -0.16 0.67 -0.09 0.00 -0.00 0.00 0.00 57.45 57.86 1vle n PHE 554 Cb 0.54 -2.36 -0.04 0.00 -0.00 0.00 0.00 39.48 37.63 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 7.55 -0.14 -2.59 3.13 0.00 -1.26 -4.71 120.51 122.50 1vle n ALA 555 Ca 0.47 0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.65 1vle n ALA 555 Cb 0.04 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.01 6.21 -0.20 0.00 3.84 -0.46 -4.35 114.94 117.97 1vle s ASN 556 Ca 0.00 -0.41 -0.17 0.00 0.21 0.00 0.00 52.86 52.49 1vle s ASN 556 Cb 0.00 -2.54 -0.14 0.00 -0.55 0.00 0.00 41.25 38.02 1vle s ASN 556 CO 0.00 -1.73 -0.01 0.00 -2.79 0.00 0.00 177.10 172.58 1vle n SER 558 N -4.44 -1.65 0.00 0.00 2.88 -1.17 -1.71 113.62 107.52 1vle n SER 558 Ca -0.30 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 1vle n SER 558 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 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 2.08 0.00 0.46 0.00 -1.26 -1.40 105.19 105.07 1vle n GLY 559 Ca 0.00 0.29 0.07 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 3.55 0.00 -3.16 1.61 0.53 -1.26 -3.02 117.16 115.41 1vle n TYR 560 Ca 0.00 0.00 -0.21 0.00 -1.02 0.00 0.00 57.90 56.67 1vle n TYR 560 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 38.26 1vle n TYR 560 CO 0.00 0.00 0.00 -0.89 -1.02 0.00 0.00 176.86 174.95 1vle n ILE 561 N -0.93 -0.44 -1.60 -0.72 5.41 -0.49 -4.25 119.36 116.34 1vle n ILE 561 Ca 0.11 -4.08 -0.51 0.00 1.00 0.00 0.00 62.75 59.27 1vle n ILE 561 Cb 0.05 -1.06 -0.05 0.00 -0.71 0.00 0.00 39.64 37.87 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 0.94 1.25 -3.10 0.38 -0.02 -1.17 -2.23 135.00 131.05 1vle n PRO 562 Ca 0.22 0.45 -0.22 0.00 -2.02 0.00 0.00 63.50 61.93 1vle n PRO 562 Cb 0.59 -2.08 0.01 0.00 -0.02 0.00 0.00 33.50 32.00 1vle n PRO 562 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1vle n ASP 563 N 2.51 -4.96 0.00 2.55 8.00 -1.26 -4.84 116.55 118.55 1vle n ASP 563 Ca 0.18 -0.29 0.09 0.00 0.71 0.00 0.00 54.79 55.47 1vle n ASP 563 Cb 0.21 -4.05 0.49 0.00 -0.02 0.00 0.00 41.12 37.75 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 -2.36 0.00 0.13 -2.24 2.04 -0.95 -2.13 115.26 109.75 1vle n ASN 564 Ca -0.08 -0.41 0.10 0.00 -0.44 0.00 0.00 54.58 53.75 1vle n ASN 564 Cb 0.59 -0.06 0.48 0.00 -2.53 0.00 0.00 39.78 38.26 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 -1.06 0.66 0.89 -2.53 4.11 -1.26 -1.47 117.16 116.50 1vle n TYR 565 Ca 0.12 0.30 0.01 0.00 -0.00 0.00 0.00 57.90 58.33 1vle n TYR 565 Cb 0.08 -0.98 0.06 0.00 -0.00 0.00 0.00 39.34 38.50 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 -2.14 0.44 0.13 -3.48 10.64 -0.91 -1.44 117.38 120.62 1vle n GLN 566 Ca 0.00 0.00 0.04 0.00 -1.83 0.00 0.00 57.00 55.22 1vle n GLN 566 Cb 0.12 -1.08 0.03 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 0.00-10.23 2.61 3.38 -1.43 -3.16 115.31 106.48 1vle h LEU 567 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1vle h LEU 567 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1vle h LEU 567 CO 0.00 0.40 -0.27 0.00 0.09 0.00 0.00 178.44 178.66 1vle h ASN 569 N 0.87 0.00 -4.87 0.00 2.35 -1.87 -3.45 115.58 108.61 1vle h ASN 569 Ca -0.50 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.14 1vle h ASN 569 Cb 1.22 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.39 1vle h ASN 569 CO 0.61 0.00 -0.21 -1.00 -1.65 0.00 0.00 177.43 175.17 1vle s HIS 570 N -3.36 -0.27 -0.26 1.19 3.76 -1.26 -4.84 115.29 110.26 1vle s HIS 570 Ca 0.05 0.46 -0.25 0.00 -0.15 0.00 0.00 55.06 55.17 1vle s HIS 570 Cb 0.09 0.14 -0.00 0.00 1.11 0.00 0.00 32.58 33.92 1vle s HIS 570 CO 0.53 -0.40 0.84 1.03 -0.85 0.00 0.00 174.74 175.90 1vle s ARG 571 N -1.15 4.15 -0.18 1.40 0.52 -1.26 -4.94 118.95 117.48 1vle s ARG 571 Ca -0.12 0.91 0.01 0.00 -0.52 0.00 0.00 55.73 56.01 1vle s ARG 571 Cb -0.04 -3.66 0.03 0.00 0.52 0.00 0.00 34.95 31.80 1vle s ARG 571 CO 0.05 -0.56 -0.14 0.08 0.02 0.00 0.00 175.30 174.75 1vle s VAL 572 N 2.91 1.75 -0.26 3.52 1.01 -1.26 -1.50 120.40 126.57 1vle s VAL 572 Ca 0.35 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1vle s VAL 572 Cb -0.15 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1vle s VAL 572 CO 0.08 0.32 0.10 -0.63 0.00 0.00 0.00 175.10 174.97 1vle s ILE 573 N 1.38 4.51 0.09 2.22 1.01 -0.19 -0.26 121.20 129.96 1vle s ILE 573 Ca 0.01 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.58 1vle s ILE 573 Cb -0.15 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 1vle s ILE 573 CO -0.10 0.30 -0.15 -0.94 0.00 0.00 0.00 174.94 174.05 1vle s SER 574 N 1.64 1.91 0.11 3.58 1.04 -0.57 0.85 113.70 122.25 1vle s SER 574 Ca 0.06 -0.69 -0.28 0.00 0.48 0.00 0.00 55.95 55.52 1vle s SER 574 Cb -0.15 -0.07 -0.06 0.00 0.10 0.00 0.00 66.02 65.84 1vle s SER 574 CO 0.05 -0.08 0.88 -0.22 0.98 0.00 0.00 173.24 174.85 1vle s LEU 575 N -2.00 4.51 -0.89 2.42 2.96 0.20 -2.52 118.68 123.36 1vle s LEU 575 Ca 0.03 1.68 -0.14 0.00 -0.22 0.00 0.00 54.13 55.48 1vle s LEU 575 Cb -0.08 -3.44 0.22 0.00 0.50 0.00 0.00 46.19 43.38 1vle s LEU 575 CO 0.03 0.01 0.86 -1.10 -1.32 0.00 0.00 176.35 174.83 1vle s GLN 576 N -0.23 3.71 0.41 1.98 -0.21 0.51 -3.56 119.66 122.27 1vle s GLN 576 Ca 0.43 -2.54 -0.26 0.00 0.02 0.00 0.00 55.36 53.00 1vle s GLN 576 Cb -0.23 -4.50 -0.09 0.00 1.00 0.00 0.00 33.01 29.20 1vle s GLN 576 CO 0.27 -1.32 1.29 0.00 -2.12 0.00 0.00 175.29 173.41 1vle s ALA 577 N 0.13 3.24 -1.05 6.09 0.00 -0.45 -1.73 121.76 127.99 1vle s ALA 577 Ca 0.22 1.21 -0.23 0.00 0.00 0.00 0.00 51.96 53.16 1vle s ALA 577 Cb -0.10 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1vle s ALA 577 CO -0.09 -0.81 1.70 0.21 0.00 0.00 0.00 175.76 176.77 1vle s LYS 578 N -2.26 3.22 0.18 0.00 2.20 -1.22 -4.71 119.74 117.14 1vle s LYS 578 Ca 0.57 -1.02 -0.13 0.00 -0.36 0.00 0.00 55.97 55.04 1vle s LYS 578 Cb -0.37 -5.29 0.09 0.00 -1.51 0.00 0.00 37.83 30.75 1vle s LYS 578 CO 0.48 -2.77 1.84 0.00 -0.36 0.00 0.00 175.35 174.53 1vle s ILE 580 N -6.08 0.48 0.57 0.00 -4.36 -1.13 -4.82 121.20 105.86 1vle s ILE 580 Ca -0.13 -1.97 -0.18 0.00 -0.26 0.00 0.00 60.65 58.11 1vle s ILE 580 Cb 0.13 -2.26 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 1vle s ILE 580 CO 0.76 -0.32 1.09 -1.61 0.24 0.00 0.00 174.94 175.09 1vle s GLU 581 N -3.99 3.31 0.39 0.37 0.41 -1.26 -4.37 118.70 113.56 1vle s GLU 581 Ca 0.28 1.39 -0.25 0.00 -0.41 0.00 0.00 54.97 55.99 1vle s GLU 581 Cb 0.07 -2.02 -0.11 0.00 -1.78 0.00 0.00 34.13 30.29 1vle s GLU 581 CO 0.06 -0.85 1.03 -2.30 -0.49 0.00 0.00 175.26 172.72 1vle n PRO 582 N -1.70 1.43 -2.88 0.39 -0.02 -1.26 -4.92 135.00 126.04 1vle n PRO 582 Ca 0.10 0.51 -0.40 0.00 -2.02 0.00 0.00 63.50 61.69 1vle n PRO 582 Cb 0.52 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.22 4.24 0.00 -1.45 1.01 -1.26 -4.83 120.40 116.89 1vle s VAL 583 Ca 0.61 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.47 1vle s VAL 583 Cb -0.59 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.57 1vle s VAL 583 CO 0.58 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.80 1vle n GLY 584 N 1.56 2.51 1.63 4.51 0.00 -1.26 -2.54 105.19 111.60 1vle n GLY 584 Ca -0.04 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 1vle n GLY 584 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vle n GLU 585 N 12.41 2.80 -2.15 1.61 2.13 0.12 -5.00 120.64 132.57 1vle n GLU 585 Ca 0.00 -3.06 -0.31 0.00 0.66 0.00 0.00 57.16 54.45 1vle n GLU 585 Cb 0.00 -2.04 -0.00 0.00 0.27 0.00 0.00 31.44 29.67 1vle n GLU 585 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1vle s SER 586 N -1.65 6.33 0.12 4.31 1.04 -1.05 -4.76 113.70 118.03 1vle s SER 586 Ca 0.51 1.36 -0.07 0.00 0.48 0.00 0.00 55.95 58.22 1vle s SER 586 Cb 0.42 -2.43 -0.01 0.00 0.10 0.00 0.00 66.02 64.09 1vle s SER 586 CO 0.09 -0.74 0.18 0.00 0.98 0.00 0.00 173.24 173.74 1vle s MET 587 N -4.82 0.95 0.57 4.02 0.23 -0.74 -4.67 119.30 114.84 1vle s MET 587 Ca 0.54 -1.14 -0.21 0.00 -1.03 0.00 0.00 55.69 53.86 1vle s MET 587 Cb -0.11 0.33 -0.04 0.00 -1.53 0.00 0.00 34.83 33.48 1vle s MET 587 CO 0.47 -0.31 1.34 -1.54 -2.03 0.00 0.00 175.02 172.95 1vle s SER 588 N -2.93 5.09 0.33 -1.18 1.04 -1.26 -2.22 113.70 112.57 1vle s SER 588 Ca 0.13 2.72 0.05 0.00 0.48 0.00 0.00 55.95 59.33 1vle s SER 588 Cb 0.05 -2.63 0.68 0.00 0.10 0.00 0.00 66.02 64.22 1vle s SER 588 CO -0.05 -1.69 1.88 0.44 0.98 0.00 0.00 173.24 174.80 1vle h ASP 589 N 1.21 0.78 -0.14 7.02 3.32 -1.94 -0.80 116.42 125.88 1vle h ASP 589 Ca -0.51 0.03 0.01 0.00 0.02 0.00 0.00 57.03 56.58 1vle h ASP 589 Cb 1.31 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1vle h ASP 589 CO 0.56 0.43 0.07 0.22 -1.72 0.00 0.00 179.24 178.80 1vle h TYR 590 N 0.85 0.13 -0.03 4.55 5.03 -1.93 -0.12 116.97 125.46 1vle h TYR 590 Ca 0.44 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.71 1vle h TYR 590 Cb 0.51 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 1vle h TYR 590 CO -0.00 0.08 -0.19 0.93 -1.32 0.00 0.00 178.16 177.65 1vle h GLU 591 N 0.15 0.04 -0.04 1.82 4.39 -1.62 0.10 114.58 119.43 1vle h GLU 591 Ca 0.05 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1vle h GLU 591 Cb 0.01 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1vle h GLU 591 CO -0.03 0.23 -0.00 0.82 -1.16 0.00 0.00 179.01 178.87 1vle h ILE 592 N 0.04 1.26 0.00 3.13 2.04 -0.50 -1.99 117.51 121.50 1vle h ILE 592 Ca 0.01 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 1vle h ILE 592 Cb 0.37 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1vle h ILE 592 CO 0.03 0.22 -0.22 1.88 0.00 0.00 0.00 178.15 180.05 1vle h TYR 593 N -0.23 0.00 -0.19 1.37 0.99 -0.49 -1.78 116.97 116.64 1vle h TYR 593 Ca 0.01 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.59 1vle h TYR 593 Cb 0.35 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.07 1vle h TYR 593 CO 0.04 0.22 -0.51 -0.09 -0.00 0.00 0.00 178.16 177.81 1vle h ARG 594 N 0.00 0.53 -0.28 4.88 2.43 -0.60 0.54 114.38 121.89 1vle h ARG 594 Ca -0.00 -0.32 -0.08 0.00 -0.81 0.00 0.00 59.98 58.77 1vle h ARG 594 Cb 0.43 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1vle h ARG 594 CO 0.03 0.92 -0.15 1.25 -1.51 0.00 0.00 179.97 180.50 1vle h LEU 595 N 0.42 0.62 -0.63 3.80 5.85 -0.82 -2.01 115.31 122.54 1vle h LEU 595 Ca 0.02 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 1vle h LEU 595 Cb 1.04 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 1vle h LEU 595 CO 0.10 0.90 0.27 -0.26 -0.34 0.00 0.00 178.44 179.11 1vle h PHE 596 N 0.34 0.94 -0.75 1.25 -1.00 -1.22 -2.22 116.94 114.28 1vle h PHE 596 Ca 0.06 -0.06 0.04 0.00 2.81 0.00 0.00 57.97 60.82 1vle h PHE 596 Cb 0.68 -0.28 -0.05 0.00 3.61 0.00 0.00 35.95 39.90 1vle h PHE 596 CO 0.06 0.73 0.46 0.00 -1.61 0.00 0.00 178.31 177.95 1vle h ALA 597 N 1.11 1.00 0.13 2.45 0.00 -0.77 0.11 119.26 123.29 1vle h ALA 597 Ca 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1vle h ALA 597 Cb 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1vle h ALA 597 CO -0.02 0.22 -0.07 -0.22 0.00 0.00 0.00 179.25 179.15 1vle h LYS 598 N 0.88 -0.18 0.00 0.00 3.64 -0.98 0.14 116.57 120.06 1vle h LYS 598 Ca 0.31 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1vle h LYS 598 Cb 0.08 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1vle h LYS 598 CO -0.14 -0.12 0.00 1.63 -2.27 0.00 0.00 179.45 178.55 1vle n LYS 599 N -5.18 0.10 -0.08 1.90 5.02 -0.87 -1.40 118.16 117.65 1vle n LYS 599 Ca -0.08 0.34 0.12 0.00 -2.02 0.00 0.00 58.31 56.67 1vle n LYS 599 Cb 0.11 -1.69 0.15 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.87 3.21 -1.88 -0.35 4.77 0.33 -4.96 117.00 116.25 1vle n LEU 600 Ca 0.03 -1.22 -0.15 0.00 -0.03 0.00 0.00 56.01 54.64 1vle n LEU 600 Cb 0.20 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1vle n LEU 600 CO 0.16 0.61 -0.13 -3.20 -1.33 0.00 0.00 177.39 173.51 1vle n ASN 601 N 1.42 -4.64 -0.74 -1.43 5.15 -0.40 -4.90 115.26 109.71 1vle n ASN 601 Ca 0.16 -0.08 0.04 0.00 -0.60 0.00 0.00 54.58 54.10 1vle n ASN 601 Cb 0.61 -3.69 0.06 0.00 -0.53 0.00 0.00 39.78 36.23 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 -4.06 0.64 -0.35 -1.44 -5.35 0.37 -4.89 119.36 104.28 1vle n ILE 602 Ca -0.15 -1.16 0.03 0.00 -0.27 0.00 0.00 62.75 61.20 1vle n ILE 602 Cb 0.62 0.42 0.17 0.00 -1.74 0.00 0.00 39.64 39.11 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 0.44 1.07 0.28 6.28 4.81 -1.78 -2.05 114.58 123.64 1vle h GLU 603 Ca -0.07 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1vle h GLU 603 Cb 1.43 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1vle h GLU 603 CO 0.03 0.71 -0.13 1.49 -0.73 0.00 0.00 179.01 180.37 1vle h GLU 604 N 1.10 -0.36 -0.91 1.92 4.57 -1.91 -0.71 114.58 118.29 1vle h GLU 604 Ca 0.43 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.66 1vle h GLU 604 Cb 0.21 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.83 1vle h GLU 604 CO -0.18 -0.19 0.59 0.52 -1.18 0.00 0.00 179.01 178.57 1vle h MET 605 N -0.45 1.13 0.23 1.92 2.86 -1.90 0.16 114.93 118.89 1vle h MET 605 Ca -0.04 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1vle h MET 605 Cb 0.34 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1vle h MET 605 CO 0.06 0.75 -0.11 0.35 1.06 0.00 0.00 176.91 179.02 1vle h PHE 606 N 1.17 -0.29 0.04 -0.22 3.57 -1.27 -3.37 116.94 116.56 1vle h PHE 606 Ca 0.35 -0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.61 1vle h PHE 606 Cb -0.04 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1vle h PHE 606 CO -0.01 0.07 -1.17 0.66 -2.23 0.00 0.00 178.31 175.63 1vle h SER 607 N -0.92 0.12 -2.39 0.41 4.64 -1.16 -3.47 113.55 110.78 1vle h SER 607 Ca -0.03 -0.14 -0.41 0.00 -0.47 0.00 0.00 61.79 60.74 1vle h SER 607 Cb 0.49 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.48 1vle h SER 607 CO 0.05 1.11 -0.47 -0.62 -0.87 0.00 0.00 176.83 176.03 1vle n GLU 608 N -3.37 -1.63 -1.42 4.77 1.02 0.56 -1.31 120.64 119.27 1vle n GLU 608 Ca -0.05 1.05 -0.11 0.00 -0.02 0.00 0.00 57.16 58.03 1vle n GLU 608 Cb 0.98 -5.62 -0.04 0.00 -0.02 0.00 0.00 31.44 26.74 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 -0.79 1.09 3.44 0.62 0.00 -1.26 -5.02 105.19 103.27 1vle n GLY 609 Ca -0.23 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1vle n GLY 609 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vle s LYS 610 N -3.12 2.61 0.66 1.61 1.02 -0.43 -5.10 119.74 116.99 1vle s LYS 610 Ca 0.00 -0.72 -0.03 0.00 0.02 0.00 0.00 55.97 55.24 1vle s LYS 610 Cb 0.00 -2.38 0.14 0.00 -0.52 0.00 0.00 37.83 35.07 1vle s LYS 610 CO 0.00 0.54 0.90 -0.40 -0.92 0.00 0.00 175.35 175.47 1vle n ASP 611 N 2.54 0.93 -0.11 2.83 5.68 -1.26 -4.83 116.55 122.33 1vle n ASP 611 Ca -0.17 -1.85 -0.05 0.00 -0.50 0.00 0.00 54.79 52.22 1vle n ASP 611 Cb 0.52 -0.61 0.03 0.00 -1.14 0.00 0.00 41.12 39.92 1vle n ASP 611 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1vle h GLU 612 N 0.00 0.21 -0.59 0.11 5.08 -1.99 -1.44 114.58 115.95 1vle h GLU 612 Ca -0.30 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.09 1vle h GLU 612 Cb 1.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1vle h GLU 612 CO 0.29 0.14 0.39 1.25 -1.00 0.00 0.00 179.01 180.08 1vle h LEU 613 N 0.21 0.56 -0.24 1.33 5.85 -1.94 0.42 115.31 121.50 1vle h LEU 613 Ca 0.18 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1vle h LEU 613 Cb 0.21 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1vle h LEU 613 CO -0.23 0.38 -0.21 0.00 -0.34 0.00 0.00 178.44 178.03 1vle h ALA 614 N 1.67 0.34 -0.68 1.25 0.00 -1.75 -2.26 119.26 117.82 1vle h ALA 614 Ca 0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1vle h ALA 614 Cb 0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1vle h ALA 614 CO -0.07 0.29 0.39 -1.49 0.00 0.00 0.00 179.25 178.37 1vle h TRP 615 N 0.26 0.91 -0.63 0.00 4.06 -0.38 -2.11 115.95 118.05 1vle h TRP 615 Ca 0.04 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.97 1vle h TRP 615 Cb 0.76 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.59 1vle h TRP 615 CO 0.07 0.62 0.35 0.00 -3.56 0.00 0.00 178.44 175.93 1vle h GLU 617 N 0.86 0.96 -0.57 0.00 4.81 -0.92 0.18 114.58 119.90 1vle h GLU 617 Ca 0.22 -0.34 -0.10 0.00 -0.13 0.00 0.00 59.36 59.01 1vle h GLU 617 Cb 0.03 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1vle h GLU 617 CO -0.04 1.00 -0.04 0.37 -0.73 0.00 0.00 179.01 179.57 1vle h GLN 618 N 0.86 1.04 -0.02 1.92 4.15 -1.12 -2.21 115.11 119.73 1vle h GLN 618 Ca 0.14 -0.35 -0.00 0.00 0.77 0.00 0.00 58.65 59.21 1vle h GLN 618 Cb 0.63 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.24 1vle h GLN 618 CO 0.04 1.05 0.01 -0.92 -1.93 0.00 0.00 178.83 177.08 1vle h TYR 619 N 0.92 0.03 -0.74 3.99 3.20 -0.51 -2.79 116.97 121.07 1vle h TYR 619 Ca 0.16 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.13 1vle h TYR 619 Cb 0.61 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.79 1vle h TYR 619 CO 0.04 0.09 0.36 0.35 -1.64 0.00 0.00 178.16 177.36 1vle h PHE 620 N -0.04 0.64 0.00 -3.82 3.57 -0.47 -0.71 116.94 116.11 1vle h PHE 620 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1vle h PHE 620 Cb 0.07 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1vle h PHE 620 CO -0.05 0.21 0.00 0.09 -2.23 0.00 0.00 178.31 176.33 1vle n ASN 621 N -4.88 0.00 -0.84 0.41 3.02 -0.85 -2.32 115.26 109.81 1vle n ASN 621 Ca 0.12 0.41 0.09 0.00 -0.03 0.00 0.00 54.58 55.17 1vle n ASN 621 Cb 0.31 -0.46 0.26 0.00 -0.61 0.00 0.00 39.78 39.27 1vle n ASN 621 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vle n ALA 622 N -1.46 2.45 -3.67 5.41 0.00 -0.28 -4.90 120.51 118.06 1vle n ALA 622 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1vle n ALA 622 Cb 0.23 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.84 0.00 1.31 0.00 -2.24 -0.98 -4.70 114.28 108.50 1vle n THR 623 Ca 0.17 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.08 1vle n THR 623 Cb 0.42 -0.30 0.37 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.57 1.57 -0.29 3.42 10.43 -0.68 -4.35 116.55 125.09 1vle n ASP 624 Ca 0.00 -1.36 0.05 0.00 2.57 0.00 0.00 54.79 56.05 1vle n ASP 624 Cb 0.00 0.09 0.19 0.00 1.84 0.00 0.00 41.12 43.24 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 2.27 0.69 -0.41 -1.24 2.86 -1.79 -1.49 114.93 115.82 1vle h MET 625 Ca 0.00 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.72 1vle h MET 625 Cb 0.59 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1vle h MET 625 CO 0.00 0.46 0.55 -1.35 1.06 0.00 0.00 176.91 177.63 1vle h PRO 626 N 0.71 0.00 0.00 -0.22 0.11 -1.76 0.74 132.00 131.59 1vle h PRO 626 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1vle h PRO 626 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1vle h PRO 626 CO -0.29 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.13 1vle n LYS 627 N -3.44 0.15 -0.04 1.05 5.02 -0.56 -3.53 118.16 116.81 1vle n LYS 627 Ca 0.08 0.32 -0.05 0.00 -2.02 0.00 0.00 58.31 56.64 1vle n LYS 627 Cb 0.72 -1.76 -0.04 0.00 -0.02 0.00 0.00 35.03 33.93 1vle n LYS 627 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1vle n TYR 628 N -2.04 0.00 -3.50 2.13 4.02 0.25 -5.10 117.16 112.93 1vle n TYR 628 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.80 1vle n TYR 628 Cb 0.26 -0.31 -0.04 0.00 -0.02 0.00 0.00 39.34 39.23 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 0.98 0.78 -0.72 0.23 -0.40 -5.13 119.30 112.88 1vle s MET 629 Ca -0.09 -0.12 -0.11 0.00 -1.03 0.00 0.00 55.69 54.33 1vle s MET 629 Cb 0.03 0.46 0.06 0.00 -1.53 0.00 0.00 34.83 33.84 1vle s MET 629 CO 0.21 -0.38 1.10 0.95 -2.03 0.00 0.00 175.02 174.87 1vle s THR 630 N -2.45 3.13 0.13 3.16 -4.23 -1.26 -3.72 115.64 110.40 1vle s THR 630 Ca -0.02 0.37 -0.19 0.00 -1.18 0.00 0.00 61.69 60.67 1vle s THR 630 Cb -0.01 -3.17 -0.01 0.00 1.34 0.00 0.00 72.50 70.65 1vle s THR 630 CO -0.03 -0.48 1.71 -0.25 -0.54 0.00 0.00 174.62 175.03 1vle h TRP 631 N -1.00 -0.05 -0.63 3.99 2.91 -1.96 -0.86 115.95 118.35 1vle h TRP 631 Ca -0.47 0.02 0.06 0.00 1.13 0.00 0.00 58.89 59.64 1vle h TRP 631 Cb 1.27 0.06 -0.06 0.00 -0.51 0.00 0.00 29.16 29.92 1vle h TRP 631 CO 0.47 -0.06 0.33 -0.44 -1.03 0.00 0.00 178.44 177.70 1vle h ASP 632 N 0.05 0.46 -0.59 2.65 3.45 -1.98 0.41 116.42 120.86 1vle h ASP 632 Ca 0.11 0.04 -0.04 0.00 0.43 0.00 0.00 57.03 57.57 1vle h ASP 632 Cb 0.16 -0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 38.86 1vle h ASP 632 CO -0.21 0.29 0.21 -0.33 -1.57 0.00 0.00 179.24 177.64 1vle h GLU 633 N 0.60 0.91 -0.45 3.56 5.08 -1.83 -0.10 114.58 122.35 1vle h GLU 633 Ca 0.29 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 1vle h GLU 633 Cb 0.22 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1vle h GLU 633 CO -0.20 0.79 -0.10 0.35 -1.00 0.00 0.00 179.01 178.85 1vle h PHE 634 N 0.83 0.96 -0.52 4.33 3.57 -0.52 0.04 116.94 125.64 1vle h PHE 634 Ca 0.20 -0.20 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1vle h PHE 634 Cb 0.24 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1vle h PHE 634 CO 0.01 0.96 0.32 0.35 -2.23 0.00 0.00 178.31 177.72 1vle h PHE 635 N 0.69 0.61 -0.30 0.41 3.57 0.05 0.17 116.94 122.14 1vle h PHE 635 Ca 0.11 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1vle h PHE 635 Cb 0.64 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1vle h PHE 635 CO 0.05 0.36 0.09 -0.22 -2.23 0.00 0.00 178.31 176.35 1vle h LYS 636 N 0.65 0.46 -0.40 1.11 3.64 -0.78 -3.17 116.57 118.08 1vle h LYS 636 Ca 0.21 -0.10 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 1vle h LYS 636 Cb -0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1vle h LYS 636 CO -0.08 0.52 -0.29 -0.22 -2.27 0.00 0.00 179.45 177.11 1vle h LYS 637 N 0.32 0.90 0.00 1.90 3.64 -0.67 -3.47 116.57 119.18 1vle h LYS 637 Ca 0.09 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1vle h LYS 637 Cb 0.25 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1vle h LYS 637 CO -0.00 1.09 0.00 0.41 -2.27 0.00 0.00 179.45 178.68 1vle n GLY 638 N 0.04 2.82 3.36 5.01 0.00 0.57 -4.97 105.19 112.03 1vle n GLY 638 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.83 -0.37 -0.03 1.61 -0.85 -1.26 0.63 117.35 115.24 1vle s TYR 639 Ca 0.00 0.51 0.01 0.00 -0.52 0.00 0.00 57.07 57.07 1vle s TYR 639 Cb 0.00 0.26 0.03 0.00 0.38 0.00 0.00 41.96 42.63 1vle s TYR 639 CO 0.00 -0.55 -0.01 0.12 -1.52 0.00 0.00 175.55 173.59 1vle s PHE 640 N -1.85 0.41 -0.33 -3.49 5.36 0.25 -4.97 117.98 113.35 1vle s PHE 640 Ca -0.09 -0.05 -0.15 0.00 -0.96 0.00 0.00 56.93 55.69 1vle s PHE 640 Cb -0.02 -0.46 -0.02 0.00 -0.34 0.00 0.00 43.02 42.19 1vle s PHE 640 CO 0.03 -0.14 0.34 0.08 -1.46 0.00 0.00 175.22 174.06 1vle s VAL 641 N 0.97 5.19 0.26 3.12 1.01 -1.26 -1.02 120.40 128.67 1vle s VAL 641 Ca -0.10 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1vle s VAL 641 Cb -0.14 -3.78 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 1vle s VAL 641 CO -0.01 -0.04 1.51 -0.69 0.00 0.00 0.00 175.10 175.86 1vle s VAL 642 N 1.97 2.45 0.84 2.92 1.01 -0.56 -4.37 120.40 124.66 1vle s VAL 642 Ca 0.11 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 1vle s VAL 642 Cb -0.17 -3.24 0.10 0.00 0.00 0.00 0.00 36.38 33.08 1vle s VAL 642 CO 0.11 0.06 1.14 -2.84 0.00 0.00 0.00 175.10 173.57 1vle s PRO 643 N -0.27 1.56 0.29 2.72 0.02 -1.26 -4.69 135.00 133.37 1vle s PRO 643 Ca 0.62 1.47 -0.28 0.00 0.02 0.00 0.00 61.00 62.83 1vle s PRO 643 Cb -0.44 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 32.19 1vle s PRO 643 CO 0.44 -2.21 0.98 0.34 -0.33 0.00 0.00 177.00 176.21 1vle s ASP 644 N -2.78 7.40 -0.75 2.53 3.68 -1.26 -4.62 116.67 120.87 1vle s ASP 644 Ca 0.66 1.98 0.04 0.00 2.13 0.00 0.00 52.55 57.36 1vle s ASP 644 Cb -0.22 -2.60 0.21 0.00 -1.45 0.00 0.00 42.92 38.86 1vle s ASP 644 CO 0.55 -0.03 0.68 -3.20 0.13 0.00 0.00 175.17 173.30 1vle n ASN 645 N 1.00 3.66 -0.31 -0.34 5.15 -1.26 -4.92 115.26 118.23 1vle n ASN 645 Ca 0.00 -3.28 0.00 0.00 -0.60 0.00 0.00 54.58 50.70 1vle n ASN 645 Cb 0.48 -0.82 0.00 0.00 -0.53 0.00 0.00 39.78 38.91 1vle n ASN 645 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1vle n PRO 646 N 1.66 0.77 -0.00 1.20 -0.04 -1.26 -3.56 135.00 133.76 1vle n PRO 646 Ca 0.24 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1vle n PRO 646 Cb 0.37 -1.24 -0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1vle n PRO 646 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1vle n ASN 647 N -0.12 4.50 -4.41 3.54 3.02 -1.26 -5.04 115.26 115.49 1vle n ASN 647 Ca 0.00 -0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1vle n ASN 647 Cb 0.12 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 1vle n ASN 647 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1vle n ARG 648 N -2.24 0.38 -2.20 3.52 1.85 -1.23 -4.80 116.66 111.93 1vle n ARG 648 Ca -0.00 0.14 -0.41 0.00 -1.00 0.00 0.00 57.85 56.57 1vle n ARG 648 Cb 0.51 -1.34 -0.03 0.00 -1.05 0.00 0.00 32.46 30.55 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 -1.40 4.39 0.01 2.89 -2.85 -1.26 -4.97 119.74 116.55 1vle s LYS 649 Ca 0.62 2.09 -0.30 0.00 -1.00 0.00 0.00 55.97 57.38 1vle s LYS 649 Cb -0.62 -3.17 -0.03 0.00 -2.06 0.00 0.00 37.83 31.95 1vle s LYS 649 CO 0.59 -0.23 0.98 0.15 0.10 0.00 0.00 175.35 176.94 1vle s LYS 650 N -0.47 4.57 -0.37 1.78 -0.14 -1.26 -5.01 119.74 118.84 1vle s LYS 650 Ca 0.55 1.42 0.01 0.00 -1.36 0.00 0.00 55.97 56.59 1vle s LYS 650 Cb -0.37 -3.45 0.12 0.00 -1.68 0.00 0.00 37.83 32.44 1vle s LYS 650 CO 0.41 -0.02 0.16 0.95 -0.76 0.00 0.00 175.35 176.09 1vle s THR 651 N 0.91 1.10 0.36 2.17 -4.23 -1.26 -5.11 115.64 109.57 1vle s THR 651 Ca 0.51 -1.94 -0.28 0.00 -1.18 0.00 0.00 61.69 58.80 1vle s THR 651 Cb -0.21 -1.80 -0.10 0.00 1.34 0.00 0.00 72.50 71.73 1vle s THR 651 CO 0.28 -0.79 1.38 -0.69 -0.54 0.00 0.00 174.62 174.27 1vle s VAL 652 N 1.02 2.41 0.09 2.29 1.01 -1.26 -4.34 120.40 121.62 1vle s VAL 652 Ca 0.14 0.41 -0.36 0.00 0.00 0.00 0.00 61.98 62.17 1vle s VAL 652 Cb -0.21 -3.26 -0.16 0.00 0.00 0.00 0.00 36.38 32.76 1vle s VAL 652 CO -0.12 0.09 1.43 0.00 0.00 0.00 0.00 175.10 176.50 1vle n ALA 653 N 0.57 -0.25 -0.81 5.51 0.00 -0.78 -1.86 120.51 122.88 1vle n ALA 653 Ca 0.01 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1vle n ALA 653 Cb 0.41 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 2.93 0.88 -0.07 0.00 4.77 -1.26 -4.42 117.00 119.83 1vle n LEU 654 Ca 0.18 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.10 1vle n LEU 654 Cb 0.22 -1.84 0.13 0.00 -2.33 0.00 0.00 43.42 39.60 1vle n LEU 654 CO 0.63 -0.68 0.75 -0.09 -1.33 0.00 0.00 177.39 176.67 1vle h ARG 655 N 0.23 0.71 -0.91 3.23 2.43 -1.48 0.12 114.38 118.70 1vle h ARG 655 Ca 0.00 -0.26 0.05 0.00 -0.81 0.00 0.00 59.98 58.96 1vle h ARG 655 Cb 0.49 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.94 1vle h ARG 655 CO 0.00 0.84 0.60 0.11 -1.51 0.00 0.00 179.97 180.01 1vle h TRP 656 N 0.63 1.08 -0.34 2.20 5.08 -1.88 0.13 115.95 122.85 1vle h TRP 656 Ca 0.10 0.03 -0.15 0.00 1.08 0.00 0.00 58.89 59.95 1vle h TRP 656 Cb 0.65 -0.36 -0.00 0.00 -3.00 0.00 0.00 29.16 26.45 1vle h TRP 656 CO 0.03 0.59 -0.37 0.35 -1.28 0.00 0.00 178.44 177.76 1vle h PHE 657 N 1.09 1.02 -0.08 0.12 3.57 -1.58 0.78 116.94 121.86 1vle h PHE 657 Ca 0.38 -0.32 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1vle h PHE 657 Cb 0.11 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1vle h PHE 657 CO -0.00 1.12 -0.19 0.00 -2.23 0.00 0.00 178.31 177.00 1vle h ALA 658 N 0.73 1.53 -0.66 2.41 0.00 0.45 -2.37 119.26 121.35 1vle h ALA 658 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1vle h ALA 658 Cb 0.96 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1vle h ALA 658 CO 0.09 0.34 0.00 0.39 0.00 0.00 0.00 179.25 180.07 1vle n GLU 659 N -4.25 3.37 -4.00 0.00 1.02 0.32 -4.98 120.64 112.12 1vle n GLU 659 Ca -0.01 -2.78 -0.31 0.00 -0.02 0.00 0.00 57.16 54.03 1vle n GLU 659 Cb 0.29 -1.76 0.01 0.00 -0.02 0.00 0.00 31.44 29.96 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 1.23 -0.45 2.91 0.62 0.00 -0.67 -4.99 105.19 103.84 1vle n GLY 660 Ca 0.25 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.56 0.86 -1.87 1.61 1.85 0.18 -4.99 116.66 109.75 1vle n ARG 661 Ca 0.01 -2.97 -0.41 0.00 -1.00 0.00 0.00 57.85 53.48 1vle n ARG 661 Cb 0.53 1.08 -0.01 0.00 -1.05 0.00 0.00 32.46 33.02 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 -3.43 4.17 0.01 2.89 8.01 -1.26 -4.47 118.70 124.62 1vle s GLU 662 Ca 0.06 2.49 -0.36 0.00 0.01 0.00 0.00 54.97 57.17 1vle s GLU 662 Cb 0.00 -3.02 -0.14 0.00 -4.31 0.00 0.00 34.13 26.67 1vle s GLU 662 CO 0.04 -0.49 1.63 1.17 0.01 0.00 0.00 175.26 177.62 1vle n LYS 663 N 1.19 1.77 -0.01 1.61 0.00 -0.83 -4.83 118.16 117.05 1vle n LYS 663 Ca 0.03 0.64 0.00 0.00 0.00 0.00 0.00 58.31 58.99 1vle n LYS 663 Cb 0.39 -2.39 0.01 0.00 0.00 0.00 0.00 35.03 33.04 1vle n LYS 663 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1vle n ASP 664 N 4.37 1.50 -4.91 3.14 5.75 -1.26 -5.07 116.55 120.06 1vle n ASP 664 Ca 0.20 -1.81 -0.21 0.00 -0.01 0.00 0.00 54.79 52.96 1vle n ASP 664 Cb 0.24 -0.02 0.05 0.00 -1.03 0.00 0.00 41.12 40.36 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 -0.83 2.53 -2.00 2.12 -4.23 -1.26 -4.90 115.64 107.06 1vle s THR 665 Ca 0.02 -0.68 0.07 0.00 -1.18 0.00 0.00 61.69 59.92 1vle s THR 665 Cb 0.01 -2.85 0.20 0.00 1.34 0.00 0.00 72.50 71.21 1vle s THR 665 CO 0.00 0.00 1.23 -2.65 -0.54 0.00 0.00 174.62 172.66 1vle n PRO 666 N -2.43 0.95 -1.57 3.99 -0.02 -1.26 -4.91 135.00 129.75 1vle n PRO 666 Ca 0.10 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.21 1vle n PRO 666 Cb 0.60 -1.12 0.06 0.00 -0.02 0.00 0.00 33.50 33.02 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 -0.62 0.71 -0.11 2.55 2.03 -1.26 -4.87 116.55 114.99 1vle n ASP 667 Ca 0.05 0.76 0.07 0.00 0.52 0.00 0.00 54.79 56.20 1vle n ASP 667 Cb 0.02 -1.40 0.39 0.00 -0.72 0.00 0.00 41.12 39.42 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 -1.97 0.05 -3.90 -0.67 7.02 -1.26 -4.87 117.44 111.85 1vle n TRP 668 Ca 0.14 -0.03 -0.09 0.00 -1.02 0.00 0.00 57.50 56.50 1vle n TRP 668 Cb 0.48 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.36 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 -1.43 0.40 0.69 6.99 0.00 -1.26 -4.63 107.32 108.07 1vle s GLY 669 Ca 0.23 -0.73 -0.11 0.00 0.00 0.00 0.00 44.72 44.10 1vle s GLY 669 CO 0.18 -0.39 1.07 2.56 0.00 0.00 0.00 173.10 176.52 1vle s PRO 670 N -3.24 2.99 0.42 2.90 0.04 -1.26 -5.04 135.00 131.81 1vle s PRO 670 Ca 0.17 0.64 -0.24 0.00 0.04 0.00 0.00 61.00 61.61 1vle s PRO 670 Cb -0.04 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1vle s PRO 670 CO 0.11 -0.98 1.18 1.03 0.04 0.00 0.00 177.00 178.38 1vle s ARG 671 N -5.23 3.92 0.40 4.56 0.52 -1.26 -4.91 118.95 116.94 1vle s ARG 671 Ca 0.58 1.85 0.18 0.00 -0.52 0.00 0.00 55.73 57.81 1vle s ARG 671 Cb -0.12 -2.57 1.10 0.00 0.52 0.00 0.00 34.95 33.88 1vle s ARG 671 CO 0.53 -0.43 1.77 -0.07 0.02 0.00 0.00 175.30 177.12 1vle h LEU 672 N 2.40 0.45 -1.47 2.53 3.38 -1.98 0.46 115.31 121.09 1vle h LEU 672 Ca -0.49 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1vle h LEU 672 Cb 1.24 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1vle h LEU 672 CO 0.62 0.08 0.00 -0.55 0.09 0.00 0.00 178.44 178.68 1vle h ASN 673 N 0.40 0.00 -0.37 -0.43 7.08 -2.03 -2.63 115.58 117.59 1vle h ASN 673 Ca 0.60 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.82 1vle h ASN 673 Cb 1.51 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.75 1vle h ASN 673 CO -0.30 0.00 0.00 0.59 -2.08 0.00 0.00 177.43 175.64 1vle n ASN 674 N -3.02 4.07 -4.04 6.14 5.03 0.15 -4.89 115.26 118.70 1vle n ASN 674 Ca 0.01 -2.60 -0.08 0.00 0.87 0.00 0.00 54.58 52.78 1vle n ASN 674 Cb 0.29 -0.62 -0.09 0.00 -1.02 0.00 0.00 39.78 38.34 1vle n ASN 674 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1vle s GLN 675 N -2.14 0.73 -0.31 3.52 -0.21 -0.99 -4.33 119.66 115.93 1vle s GLN 675 Ca 0.35 -1.19 -0.05 0.00 0.02 0.00 0.00 55.36 54.49 1vle s GLN 675 Cb 0.27 0.25 0.03 0.00 1.00 0.00 0.00 33.01 34.56 1vle s GLN 675 CO 0.10 -0.18 0.06 0.08 -2.12 0.00 0.00 175.29 173.24 1vle s VAL 676 N -3.92 3.66 -1.44 1.09 1.01 -1.24 -4.51 120.40 115.03 1vle s VAL 676 Ca 0.09 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 1vle s VAL 676 Cb 0.07 -2.98 0.05 0.00 0.00 0.00 0.00 36.38 33.51 1vle s VAL 676 CO -0.08 -0.03 1.08 0.00 0.00 0.00 0.00 175.10 176.07 1vle n ARG 678 N -4.84 -1.84 -4.31 0.00 1.85 -1.26 -4.81 116.66 101.45 1vle n ARG 678 Ca 0.02 0.23 -0.23 0.00 -1.00 0.00 0.00 57.85 56.87 1vle n ARG 678 Cb 0.55 -4.51 -0.13 0.00 -1.05 0.00 0.00 32.46 27.32 1vle n ARG 678 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1vle s LYS 679 N -7.09 1.08 0.00 2.89 1.02 -1.04 -1.97 119.74 114.63 1vle s LYS 679 Ca 0.48 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1vle s LYS 679 Cb -0.27 -1.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.78 1vle s LYS 679 CO 0.97 0.30 0.00 0.41 -0.92 0.00 0.00 175.35 176.11 1vle n GLY 680 N 1.28 -0.82 3.85 -3.33 0.00 -1.26 -3.70 105.19 101.21 1vle n GLY 680 Ca -0.19 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.19 2.28 0.41 0.99 1.43 -0.08 -4.90 118.68 115.62 1vle s LEU 681 Ca 0.00 0.71 0.29 0.00 -1.03 0.00 0.00 54.13 54.10 1vle s LEU 681 Cb 0.00 -2.99 1.29 0.00 0.03 0.00 0.00 46.19 44.52 1vle s LEU 681 CO 0.00 -2.45 1.87 -0.61 0.23 0.00 0.00 176.35 175.38 1vle h GLN 682 N -1.44 0.00 -7.25 1.70 4.15 -1.75 -3.36 115.11 107.16 1vle h GLN 682 Ca -0.47 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.43 1vle h GLN 682 Cb 1.31 0.00 0.17 0.00 0.21 0.00 0.00 27.48 29.17 1vle h GLN 682 CO 0.56 0.00 0.30 0.95 -1.93 0.00 0.00 178.83 178.71 1vle s THR 683 N -3.55 2.34 0.19 2.39 -4.23 -1.26 -4.87 115.64 106.64 1vle s THR 683 Ca 0.01 0.13 -0.17 0.00 -1.18 0.00 0.00 61.69 60.48 1vle s THR 683 Cb 0.09 -2.41 0.17 0.00 1.34 0.00 0.00 72.50 71.69 1vle s THR 683 CO 0.42 -0.12 1.61 0.74 -0.54 0.00 0.00 174.62 176.72 1vle h THR 684 N -1.22 0.30 0.00 3.99 2.02 -1.91 -0.52 112.91 115.57 1vle h THR 684 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1vle h THR 684 Cb 1.27 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1vle h THR 684 CO 0.46 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.70 1vle n THR 685 N -5.43 0.68 -0.97 3.16 -2.24 -1.26 -4.88 114.28 103.34 1vle n THR 685 Ca 0.05 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1vle n THR 685 Cb 0.33 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1vle n THR 685 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vle n GLY 686 N 0.86 0.75 3.70 3.38 0.00 -0.21 -4.93 105.19 108.75 1vle n GLY 686 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1vle n GLY 686 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vle s LYS 687 N -0.03 2.10 -0.12 1.61 1.02 -1.26 -0.90 119.74 122.16 1vle s LYS 687 Ca 0.00 -2.12 -0.29 0.00 0.02 0.00 0.00 55.97 53.57 1vle s LYS 687 Cb 0.00 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.57 1vle s LYS 687 CO 0.00 -0.18 1.23 0.08 -0.92 0.00 0.00 175.35 175.55 1vle s VAL 688 N -2.73 4.29 -0.53 3.17 1.01 -0.40 -4.74 120.40 120.46 1vle s VAL 688 Ca 0.28 1.58 -0.12 0.00 0.00 0.00 0.00 61.98 63.72 1vle s VAL 688 Cb 0.06 -4.02 0.13 0.00 0.00 0.00 0.00 36.38 32.55 1vle s VAL 688 CO 0.15 -0.08 0.44 -1.61 0.00 0.00 0.00 175.10 174.00 1vle s GLU 689 N 2.96 2.78 0.62 2.72 2.02 0.46 -0.31 118.70 129.95 1vle s GLU 689 Ca 0.55 -1.80 0.39 0.00 0.02 0.00 0.00 54.97 54.13 1vle s GLU 689 Cb -0.23 -4.12 1.99 0.00 0.10 0.00 0.00 34.13 31.87 1vle s GLU 689 CO 0.17 -1.26 2.22 0.74 0.02 0.00 0.00 175.26 177.15 1vle h PHE 690 N 8.57 0.00 -3.36 1.61 -1.00 -1.61 -3.16 116.94 118.00 1vle h PHE 690 Ca -0.23 0.00 -0.63 0.00 2.81 0.00 0.00 57.97 59.92 1vle h PHE 690 Cb 1.08 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 40.24 1vle h PHE 690 CO 0.71 0.01 -0.71 0.42 -1.61 0.00 0.00 178.31 177.13 1vle s ILE 691 N -4.00 1.88 -0.08 -0.55 1.01 -1.25 -1.45 121.20 116.76 1vle s ILE 691 Ca -0.03 -2.43 -0.29 0.00 0.00 0.00 0.00 60.65 57.90 1vle s ILE 691 Cb 0.12 -2.36 -0.07 0.00 0.01 0.00 0.00 42.46 40.16 1vle s ILE 691 CO 0.47 -0.73 2.03 0.00 0.00 0.00 0.00 174.94 176.71 1vle s ALA 692 N 0.65 3.23 0.36 9.38 0.00 -0.17 -4.88 121.76 130.33 1vle s ALA 692 Ca 0.14 1.03 0.05 0.00 0.00 0.00 0.00 51.96 53.18 1vle s ALA 692 Cb -0.21 -3.93 0.68 0.00 0.00 0.00 0.00 23.12 19.65 1vle s ALA 692 CO -0.08 -2.07 1.92 1.79 0.00 0.00 0.00 175.76 177.32 1vle h THR 693 N 6.25 1.17 -0.14 0.00 1.35 -1.89 0.24 112.91 119.90 1vle h THR 693 Ca -0.45 -0.64 -0.01 0.00 -0.55 0.00 0.00 66.41 64.76 1vle h THR 693 Cb 1.23 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1vle h THR 693 CO 0.95 0.23 0.04 0.77 -0.25 0.00 0.00 175.52 177.25 1vle h SER 694 N 0.50 0.21 -0.01 5.36 4.64 -1.90 -1.59 113.55 120.76 1vle h SER 694 Ca 0.11 -0.23 -0.09 0.00 -0.47 0.00 0.00 61.79 61.12 1vle h SER 694 Cb 0.24 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1vle h SER 694 CO 0.00 0.39 -0.26 -0.07 -0.87 0.00 0.00 176.83 176.02 1vle h LEU 695 N 0.03 0.43 -0.68 5.97 3.38 -1.84 -1.67 115.31 120.92 1vle h LEU 695 Ca 0.04 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1vle h LEU 695 Cb 0.25 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1vle h LEU 695 CO 0.00 0.68 0.26 0.50 0.09 0.00 0.00 178.44 179.97 1vle h LYS 696 N 0.38 1.03 -0.55 1.13 3.64 -0.76 0.45 116.57 121.89 1vle h LYS 696 Ca 0.06 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1vle h LYS 696 Cb 0.65 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1vle h LYS 696 CO 0.05 0.87 0.31 -0.91 -2.27 0.00 0.00 179.45 177.50 1vle h ASN 697 N 0.98 0.68 -0.28 4.20 -0.26 -0.97 -0.74 115.58 119.19 1vle h ASN 697 Ca 0.23 -0.08 0.03 0.00 -0.56 0.00 0.00 56.30 55.91 1vle h ASN 697 Cb 0.23 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.29 1vle h ASN 697 CO -0.02 0.56 0.11 0.15 -1.06 0.00 0.00 177.43 177.18 1vle h PHE 698 N 0.74 0.20 -0.08 1.19 3.57 -0.65 -0.71 116.94 121.21 1vle h PHE 698 Ca 0.20 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.60 1vle h PHE 698 Cb 0.03 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1vle h PHE 698 CO -0.02 0.10 -0.45 1.05 -2.23 0.00 0.00 178.31 176.76 1vle h GLU 699 N 0.25 0.18 0.00 1.11 4.11 -0.71 -2.30 114.58 117.23 1vle h GLU 699 Ca 0.12 -0.09 -0.02 0.00 0.07 0.00 0.00 59.36 59.43 1vle h GLU 699 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1vle h GLU 699 CO -0.11 0.60 -0.12 0.93 0.07 0.00 0.00 179.01 180.38 1vle h GLU 700 N 0.15 0.00 -0.02 1.06 5.08 -0.60 -1.33 114.58 118.92 1vle h GLU 700 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1vle h GLU 700 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1vle h GLU 700 CO 0.07 0.12 0.00 1.04 -1.00 0.00 0.00 179.01 179.23 1vle n GLN 701 N -3.26 1.18 0.00 2.33 6.02 -0.32 -4.88 117.38 118.46 1vle n GLN 701 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 1vle n GLN 701 Cb 0.37 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.23 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 0.96 0.39 3.07 1.08 0.00 -0.50 -5.01 105.19 105.17 1vle n GLY 702 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.91 3.74 -2.37 1.61 4.02 -0.91 -4.97 117.16 116.37 1vle n TYR 703 Ca 0.00 -2.97 -0.42 0.00 -0.01 0.00 0.00 57.90 54.49 1vle n TYR 703 Cb 0.00 -2.17 -0.03 0.00 -0.02 0.00 0.00 39.34 37.12 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 1.50 4.07 -0.34 -0.72 -1.09 -1.26 -4.19 121.20 119.17 1vle s ILE 704 Ca 0.43 1.41 -0.01 0.00 -2.23 0.00 0.00 60.65 60.25 1vle s ILE 704 Cb 0.06 -3.90 0.12 0.00 -1.58 0.00 0.00 42.46 37.16 1vle s ILE 704 CO -0.00 -0.02 0.17 -0.62 -1.23 0.00 0.00 174.94 173.24 1vle s ASP 705 N 1.70 3.48 0.33 3.58 -1.08 -1.26 -5.01 116.67 118.40 1vle s ASP 705 Ca 0.59 -1.89 0.10 0.00 -0.52 0.00 0.00 52.55 50.82 1vle s ASP 705 Cb -0.27 -0.60 0.86 0.00 -1.46 0.00 0.00 42.92 41.45 1vle s ASP 705 CO 0.23 -0.36 1.77 -0.08 0.52 0.00 0.00 175.17 177.25 1vle h GLU 706 N 7.60 0.62 -0.34 4.34 4.81 -2.02 -0.74 114.58 128.84 1vle h GLU 706 Ca -0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1vle h GLU 706 Cb 0.98 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1vle h GLU 706 CO 0.40 0.41 0.00 0.72 -0.73 0.00 0.00 179.01 179.80 1vle n HIS 707 N -4.75 0.40 -2.95 0.92 8.25 -1.26 -4.16 115.22 111.66 1vle n HIS 707 Ca 0.24 -0.18 -0.15 0.00 -0.26 0.00 0.00 57.72 57.37 1vle n HIS 707 Cb 0.67 -0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.75 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 0.24 0.83 -2.26 -0.41 0.63 -0.29 -4.81 116.66 110.59 1vle n ARG 708 Ca 0.09 -2.48 -0.35 0.00 -0.92 0.00 0.00 57.85 54.19 1vle n ARG 708 Cb 0.27 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 31.83 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 -0.43 3.38 0.42 -0.14 0.04 -1.23 -4.75 135.00 132.29 1vle s PRO 709 Ca 0.32 1.56 0.08 0.00 0.04 0.00 0.00 61.00 63.01 1vle s PRO 709 Cb 0.24 -2.01 0.89 0.00 0.04 0.00 0.00 34.50 33.65 1vle s PRO 709 CO -0.15 -0.82 2.05 0.66 0.04 0.00 0.00 177.00 178.78 1vle h SER 710 N 1.17 0.39 -3.12 6.66 4.64 -1.89 -3.41 113.55 117.99 1vle h SER 710 Ca -0.50 -0.02 -0.60 0.00 -0.47 0.00 0.00 61.79 60.20 1vle h SER 710 Cb 1.26 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 63.18 1vle h SER 710 CO 0.57 0.32 -0.23 -0.32 -0.87 0.00 0.00 176.83 176.30 1vle s MET 711 N -5.34 4.05 -0.29 4.77 -2.45 -1.26 -1.00 119.30 117.77 1vle s MET 711 Ca -0.08 0.33 -0.28 0.00 -1.25 0.00 0.00 55.69 54.41 1vle s MET 711 Cb 0.17 -3.31 -0.02 0.00 1.25 0.00 0.00 34.83 32.92 1vle s MET 711 CO 0.73 0.49 1.82 -1.58 1.05 0.00 0.00 175.02 177.52 1vle s HIS 712 N -0.39 1.77 0.36 4.11 2.46 -0.53 -4.94 115.29 118.14 1vle s HIS 712 Ca 0.22 0.58 0.05 0.00 0.47 0.00 0.00 55.06 56.38 1vle s HIS 712 Cb -0.15 -4.10 -0.02 0.00 -0.13 0.00 0.00 32.58 28.18 1vle s HIS 712 CO 0.10 -3.12 0.18 0.25 -2.47 0.00 0.00 174.74 169.68 1vle n THR 713 N 7.29 0.00 -3.00 0.89 -2.24 -1.26 -5.03 114.28 110.93 1vle n THR 713 Ca 0.23 -2.22 -0.44 0.00 -2.27 0.00 0.00 64.05 59.34 1vle n THR 713 Cb 0.46 0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 69.58 1vle n THR 713 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1vle s TYR 714 N -3.07 3.48 -0.19 4.78 5.04 -1.26 -4.90 117.35 121.24 1vle s TYR 714 Ca 0.25 -1.97 -0.26 0.00 -2.44 0.00 0.00 57.07 52.65 1vle s TYR 714 Cb 0.01 -4.23 -0.01 0.00 0.35 0.00 0.00 41.96 38.08 1vle s TYR 714 CO 0.18 -1.36 0.88 0.08 -1.34 0.00 0.00 175.55 173.99 1vle s VAL 715 N 1.54 4.83 0.26 3.14 1.01 -1.26 -4.99 120.40 124.91 1vle s VAL 715 Ca 0.37 1.73 -0.31 0.00 0.00 0.00 0.00 61.98 63.77 1vle s VAL 715 Cb -0.04 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 1vle s VAL 715 CO -0.04 -0.04 1.59 -2.84 0.00 0.00 0.00 175.10 173.78 1vle s PRO 716 N 2.49 4.15 0.09 2.72 0.02 -1.26 -4.89 135.00 138.32 1vle s PRO 716 Ca 0.39 2.52 -0.31 0.00 0.02 0.00 0.00 61.00 63.63 1vle s PRO 716 Cb -0.16 -3.06 -0.09 0.00 0.02 0.00 0.00 34.50 31.21 1vle s PRO 716 CO 0.11 -0.62 1.79 0.00 -0.33 0.00 0.00 177.00 177.94 1vle s ALA 717 N 0.34 3.71 -0.56 -1.55 0.00 -1.26 -4.85 121.76 117.59 1vle s ALA 717 Ca 0.66 1.34 0.14 0.00 0.00 0.00 0.00 51.96 54.10 1vle s ALA 717 Cb -0.47 -3.75 0.71 0.00 0.00 0.00 0.00 23.12 19.60 1vle s ALA 717 CO 0.42 -1.24 1.42 -2.67 0.00 0.00 0.00 175.76 173.69 1vle n TRP 718 N 5.96 0.44 -3.33 0.00 4.27 -1.26 -2.96 117.44 120.55 1vle n TRP 718 Ca 0.17 0.22 -0.26 0.00 -3.89 0.00 0.00 57.50 53.74 1vle n TRP 718 Cb 0.39 -0.85 -0.08 0.00 -1.36 0.00 0.00 31.31 29.42 1vle n TRP 718 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 1vle n GLU 719 N -1.94 1.75 -4.40 -2.67 4.07 -1.26 -4.52 120.64 111.66 1vle n GLU 719 Ca -0.00 -4.06 -0.20 0.00 -0.06 0.00 0.00 57.16 52.84 1vle n GLU 719 Cb 0.05 -1.82 -0.10 0.00 -0.06 0.00 0.00 31.44 29.50 1vle n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1vle s SER 720 N -1.91 2.40 0.27 4.31 1.04 -1.15 -4.43 113.70 114.23 1vle s SER 720 Ca 0.38 -1.24 0.06 0.00 0.48 0.00 0.00 55.95 55.62 1vle s SER 720 Cb 0.15 -0.10 0.36 0.00 0.10 0.00 0.00 66.02 66.54 1vle s SER 720 CO -0.06 -0.45 1.63 1.56 0.98 0.00 0.00 173.24 176.91 1vle h GLN 721 N 2.30 0.22 -0.02 4.02 4.20 -1.92 -2.69 115.11 121.23 1vle h GLN 721 Ca -0.40 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.19 1vle h GLN 721 Cb 1.23 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1vle h GLN 721 CO 0.67 0.68 -0.23 0.36 -0.67 0.00 0.00 178.83 179.64 1vle n LYS 722 N -3.95 1.62 0.00 1.46 2.85 -1.26 -4.58 118.16 114.30 1vle n LYS 722 Ca -0.02 -1.25 0.00 0.00 -1.05 0.00 0.00 58.31 55.99 1vle n LYS 722 Cb 0.55 -1.38 0.00 0.00 -0.65 0.00 0.00 35.03 33.55 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 0.44 0.00 -3.03 5.58 8.25 -1.24 -5.03 115.22 120.19 1vle n HIS 723 Ca 0.10 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.16 1vle n HIS 723 Cb 0.45 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.51 1vle n HIS 723 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1vle s SER 724 N -2.06 7.00 0.60 0.41 0.15 -1.01 -4.94 113.70 113.84 1vle s SER 724 Ca 0.00 1.21 0.31 0.00 0.70 0.00 0.00 55.95 58.16 1vle s SER 724 Cb 0.00 -2.42 1.81 0.00 -1.71 0.00 0.00 66.02 63.70 1vle s SER 724 CO 0.00 -0.13 2.19 -0.65 1.20 0.00 0.00 173.24 175.86 1vle h PRO 725 N 6.77 0.00 0.00 5.44 0.11 -1.89 -1.33 132.00 141.10 1vle h PRO 725 Ca -0.41 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.64 1vle h PRO 725 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1vle h PRO 725 CO 0.75 0.00 -0.28 1.25 -0.21 0.00 0.00 178.00 179.51 1vle h LEU 726 N 0.00 0.00 -2.71 2.35 5.85 -1.92 -3.26 115.31 115.62 1vle h LEU 726 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1vle h LEU 726 Cb 0.22 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1vle h LEU 726 CO -0.00 0.28 0.04 0.00 -0.34 0.00 0.00 178.44 178.42 1vle h ALA 727 N 1.72 1.25 0.00 1.25 0.00 -1.41 -1.79 119.26 120.27 1vle h ALA 727 Ca -0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1vle h ALA 727 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1vle h ALA 727 CO 0.04 -0.05 -0.43 -0.39 0.00 0.00 0.00 179.25 178.42 1vle h VAL 728 N 0.00 1.20 0.04 0.00 -1.51 -1.77 -2.71 116.25 111.50 1vle h VAL 728 Ca 0.01 -1.52 -0.36 0.00 -1.23 0.00 0.00 66.70 63.59 1vle h VAL 728 Cb 0.09 1.85 -0.05 0.00 -2.13 0.00 0.00 31.29 31.05 1vle h VAL 728 CO -0.00 0.42 -2.18 0.29 -1.23 0.00 0.00 177.57 174.87 1vle n LYS 729 N -3.87 0.69 -3.87 5.19 5.02 -0.89 -4.70 118.16 115.72 1vle n LYS 729 Ca -0.01 0.18 -0.29 0.00 -2.02 0.00 0.00 58.31 56.17 1vle n LYS 729 Cb 0.48 -1.63 -0.13 0.00 -0.02 0.00 0.00 35.03 33.73 1vle n LYS 729 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1vle s TYR 730 N -2.54 3.12 0.16 2.13 2.02 -0.73 -4.81 117.35 116.70 1vle s TYR 730 Ca -0.21 -3.13 0.26 0.00 -0.37 0.00 0.00 57.07 53.63 1vle s TYR 730 Cb 0.07 -2.57 1.07 0.00 -0.40 0.00 0.00 41.96 40.13 1vle s TYR 730 CO 0.74 -0.66 1.88 -1.00 -1.57 0.00 0.00 175.55 174.94 1vle h PRO 731 N 5.99 0.00 -6.25 -1.71 0.13 -1.48 -3.35 132.00 125.33 1vle h PRO 731 Ca 0.04 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.63 1vle h PRO 731 Cb 0.84 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 1vle h PRO 731 CO 0.66 0.17 0.14 -0.51 -0.23 0.00 0.00 178.00 178.23 1vle s LEU 732 N -6.71 4.43 -0.30 1.56 1.43 -0.82 -4.93 118.68 113.34 1vle s LEU 732 Ca 0.00 1.39 -0.16 0.00 -1.03 0.00 0.00 54.13 54.34 1vle s LEU 732 Cb 0.10 -3.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 1vle s LEU 732 CO 0.61 0.00 0.40 -0.83 0.23 0.00 0.00 176.35 176.76 1vle s GLY 733 N 0.06 1.87 -0.09 -3.19 0.00 -0.38 -1.21 107.32 104.38 1vle s GLY 733 Ca 0.38 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 1vle s GLY 733 CO 0.22 1.04 0.01 -0.29 0.00 0.00 0.00 173.10 174.08 1vle s MET 734 N 2.12 3.06 -0.01 2.90 1.75 0.14 -1.15 119.30 128.12 1vle s MET 734 Ca 0.15 -0.39 0.06 0.00 -1.25 0.00 0.00 55.69 54.26 1vle s MET 734 Cb -0.16 -2.83 -0.02 0.00 2.84 0.00 0.00 34.83 34.66 1vle s MET 734 CO 0.11 0.68 -0.18 -0.48 -0.65 0.00 0.00 175.02 174.49 1vle s LEU 735 N -0.81 2.06 -0.48 4.11 2.34 -1.04 -2.08 118.68 122.77 1vle s LEU 735 Ca 0.12 -0.36 0.05 0.00 0.06 0.00 0.00 54.13 54.01 1vle s LEU 735 Cb -0.11 -0.94 0.20 0.00 -0.56 0.00 0.00 46.19 44.78 1vle s LEU 735 CO 0.02 0.21 0.45 -1.54 -1.06 0.00 0.00 176.35 174.43 1vle n SER 736 N 2.51 0.67 -3.15 1.48 3.41 -1.26 -2.72 113.62 114.55 1vle n SER 736 Ca -0.15 -2.69 -0.20 0.00 -0.26 0.00 0.00 58.87 55.56 1vle n SER 736 Cb 0.54 -0.62 0.19 0.00 -0.26 0.00 0.00 64.21 64.06 1vle n SER 736 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1vle n PRO 737 N 2.15 -3.72 -2.46 4.33 -0.02 -1.26 -3.61 135.00 130.41 1vle n PRO 737 Ca 0.26 -1.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.34 1vle n PRO 737 Cb 0.46 -1.24 -0.04 0.00 -0.02 0.00 0.00 33.50 32.67 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 -1.82 3.52 0.17 6.00 3.76 -1.26 -1.06 115.29 124.61 1vle s HIS 738 Ca 0.45 1.68 -0.34 0.00 -0.15 0.00 0.00 55.06 56.70 1vle s HIS 738 Cb -0.07 -3.30 -0.14 0.00 1.11 0.00 0.00 32.58 30.18 1vle s HIS 738 CO 0.37 -0.63 1.56 -0.35 -0.85 0.00 0.00 174.74 174.84 1vle n PRO 739 N 1.07 2.14 -0.20 8.40 -0.04 -1.26 -4.84 135.00 140.27 1vle n PRO 739 Ca -0.01 0.77 -0.09 0.00 -0.04 0.00 0.00 63.50 64.13 1vle n PRO 739 Cb 0.45 -2.53 0.02 0.00 -0.04 0.00 0.00 33.50 31.40 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 5.78 0.95 -0.71 0.54 9.65 -1.93 -3.28 114.38 125.38 1vle h ARG 740 Ca -0.45 -0.28 -0.40 0.00 -1.10 0.00 0.00 59.98 57.75 1vle h ARG 740 Cb 1.26 -0.10 -0.23 0.00 -1.39 0.00 0.00 29.97 29.51 1vle h ARG 740 CO 0.88 0.93 0.28 1.19 2.80 0.00 0.00 179.97 186.05 1vle n PHE 741 N -4.30 2.24 -3.57 2.20 3.01 -1.26 -4.84 117.46 110.94 1vle n PHE 741 Ca 0.02 -1.92 -0.12 0.00 1.01 0.00 0.00 57.45 56.44 1vle n PHE 741 Cb 0.30 -0.78 -0.05 0.00 -0.01 0.00 0.00 39.48 38.93 1vle n PHE 741 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1vle s SER 742 N -2.03 -0.45 -0.99 4.37 0.15 -1.24 -4.34 113.70 109.17 1vle s SER 742 Ca 0.52 0.51 -0.16 0.00 0.70 0.00 0.00 55.95 57.52 1vle s SER 742 Cb 0.45 0.39 0.16 0.00 -1.71 0.00 0.00 66.02 65.32 1vle s SER 742 CO 0.04 -0.40 1.14 -0.32 1.20 0.00 0.00 173.24 174.90 1vle s MET 743 N -1.06 3.75 6.59 5.44 1.75 -1.06 -4.47 119.30 130.24 1vle s MET 743 Ca -0.04 -2.15 0.00 0.00 -1.25 0.00 0.00 55.69 52.25 1vle s MET 743 Cb -0.01 -4.85 0.00 0.00 2.84 0.00 0.00 34.83 32.81 1vle s MET 743 CO 0.03 -1.66 0.00 0.72 -0.65 0.00 0.00 175.02 173.46 1vle n HIS 744 N 5.69 0.00 0.40 4.11 8.25 -1.26 -1.03 115.22 131.38 1vle n HIS 744 Ca 0.25 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.84 1vle n HIS 744 Cb 0.47 0.01 0.50 0.00 1.12 0.00 0.00 29.99 32.09 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 -0.64 1.59 1.35 -1.87 -3.40 112.91 109.94 1vle h THR 745 Ca 0.00 -0.36 -0.67 0.00 -0.55 0.00 0.00 66.41 64.83 1vle h THR 745 Cb 0.00 1.21 -0.07 0.00 -1.73 0.00 0.00 68.15 67.56 1vle h THR 745 CO 0.00 0.00 2.35 0.23 -0.25 0.00 0.00 175.52 177.85 1vle n MET 746 N -2.46 3.01 0.00 4.72 2.81 -0.20 -3.34 117.12 121.66 1vle n MET 746 Ca 0.02 -3.06 0.00 0.00 -1.81 0.00 0.00 57.70 52.85 1vle n MET 746 Cb 0.29 -3.46 0.00 0.00 -0.71 0.00 0.00 33.22 29.34 1vle n MET 746 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1vle n GLY 747 N 5.12 1.72 3.80 3.03 0.00 -1.26 -2.55 105.19 115.05 1vle n GLY 747 Ca 0.49 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 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 5.49 0.92 1.61 2.15 -1.21 -4.66 116.67 120.97 1vle s ASP 748 Ca 0.00 1.78 0.00 0.00 0.43 0.00 0.00 52.55 54.76 1vle s ASP 748 Cb 0.00 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1vle s ASP 748 CO 0.00 -1.37 0.00 0.61 -0.17 0.00 0.00 175.17 174.24 1vle n GLY 749 N -1.23 1.03 2.37 2.66 0.00 -1.26 -4.71 105.19 104.04 1vle n GLY 749 Ca 0.09 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 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 0.02 -1.43 -3.19 1.61 5.02 -1.26 -1.21 118.16 117.72 1vle n LYS 750 Ca 0.00 1.03 -0.22 0.00 -2.02 0.00 0.00 58.31 57.10 1vle n LYS 750 Cb 0.00 -5.39 0.01 0.00 -0.02 0.00 0.00 35.03 29.63 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 -1.10 -4.39 -4.26 4.39 5.15 -1.26 -4.35 115.26 109.44 1vle n ASN 751 Ca -0.18 -0.31 -0.30 0.00 -0.60 0.00 0.00 54.58 53.19 1vle n ASN 751 Cb 0.59 -3.61 0.18 0.00 -0.53 0.00 0.00 39.78 36.41 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 -2.66 2.92 0.28 1.20 1.04 -0.35 -4.91 113.70 111.23 1vle s SER 752 Ca 0.34 0.49 0.15 0.00 0.48 0.00 0.00 55.95 57.41 1vle s SER 752 Cb -0.17 -0.70 0.25 0.00 0.10 0.00 0.00 66.02 65.50 1vle s SER 752 CO 0.42 -2.87 1.53 1.88 0.98 0.00 0.00 173.24 175.18 1vle h TYR 753 N -1.73 0.00 -0.00 5.02 0.05 -1.87 -3.16 116.97 115.28 1vle h TYR 753 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1vle h TYR 753 Cb 1.27 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.01 1vle h TYR 753 CO -0.97 0.55 0.02 0.52 -1.05 0.00 0.00 178.16 177.23 1vle h MET 754 N 0.00 0.00 0.00 4.88 2.86 -1.87 -0.99 114.93 119.80 1vle h MET 754 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1vle h MET 754 Cb 1.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.92 1vle h MET 754 CO 0.07 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.13 1vle n ASN 755 N -3.15 0.00 -1.02 1.22 3.02 -1.19 -2.08 115.26 112.06 1vle n ASN 755 Ca -0.03 0.15 0.11 0.00 -0.03 0.00 0.00 54.58 54.78 1vle n ASN 755 Cb 0.09 -0.34 0.17 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.34 0.37 -2.52 3.10 4.02 -0.38 -4.54 117.16 115.88 1vle n TYR 756 Ca 0.07 -0.20 -0.43 0.00 -0.01 0.00 0.00 57.90 57.33 1vle n TYR 756 Cb 0.16 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.45 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 -1.48 4.42 0.25 -0.72 1.01 -0.88 -4.93 121.20 118.87 1vle s ILE 757 Ca 0.33 1.72 -0.08 0.00 0.00 0.00 0.00 60.65 62.62 1vle s ILE 757 Cb 0.20 -4.11 0.34 0.00 0.01 0.00 0.00 42.46 38.91 1vle s ILE 757 CO 0.29 -0.08 1.60 0.11 0.00 0.00 0.00 174.94 176.85 1vle h LYS 758 N 7.67 0.03 -0.84 2.79 1.57 -1.90 0.13 116.57 126.01 1vle h LYS 758 Ca -0.28 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.39 1vle h LYS 758 Cb 1.12 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.36 1vle h LYS 758 CO 0.93 0.02 0.13 -3.47 -0.57 0.00 0.00 179.45 176.49 1vle n ASP 759 N -5.48 3.63 -0.01 0.86 2.03 -1.26 -4.21 116.55 112.11 1vle n ASP 759 Ca 0.14 -2.67 -0.05 0.00 0.52 0.00 0.00 54.79 52.73 1vle n ASP 759 Cb 0.47 -0.64 -0.02 0.00 -0.72 0.00 0.00 41.12 40.22 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 0.08 0.00 -3.84 -0.67 -0.00 0.02 -4.96 115.22 105.85 1vle n HIS 760 Ca 0.22 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.28 1vle n HIS 760 Cb 0.93 -0.19 -0.13 0.00 -0.12 0.00 0.00 29.99 30.48 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 -2.21 0.17 -0.15 1.57 0.52 -1.14 -3.90 118.95 113.82 1vle s ARG 761 Ca -0.09 0.07 -0.02 0.00 -0.52 0.00 0.00 55.73 55.17 1vle s ARG 761 Cb 0.02 0.08 -0.02 0.00 0.52 0.00 0.00 34.95 35.55 1vle s ARG 761 CO 0.12 -0.03 -0.08 0.08 0.02 0.00 0.00 175.30 175.42 1vle s VAL 762 N -0.14 3.48 -0.00 3.52 1.01 0.23 -4.65 120.40 123.84 1vle s VAL 762 Ca -0.02 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 1vle s VAL 762 Cb -0.02 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1vle s VAL 762 CO 0.00 0.50 0.77 -0.70 0.00 0.00 0.00 175.10 175.67 1vle s GLU 763 N 0.46 4.48 -0.05 2.72 2.12 -1.26 0.03 118.70 127.21 1vle s GLU 763 Ca -0.06 1.04 -0.02 0.00 0.36 0.00 0.00 54.97 56.29 1vle s GLU 763 Cb -0.15 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.87 1vle s GLU 763 CO 0.04 0.16 0.08 0.08 -0.54 0.00 0.00 175.26 175.08 1vle s VAL 764 N 0.41 -0.10 -1.40 3.70 1.01 0.12 -4.84 120.40 119.30 1vle s VAL 764 Ca 0.40 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 1vle s VAL 764 Cb -0.19 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.03 1vle s VAL 764 CO 0.22 0.12 0.26 0.47 0.00 0.00 0.00 175.10 176.16 1vle n ASP 765 N 4.68 -4.91 0.00 3.32 8.00 -1.26 -1.18 116.55 125.20 1vle n ASP 765 Ca -0.17 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1vle n ASP 765 Cb 0.50 -4.06 0.00 0.00 -0.02 0.00 0.00 41.12 37.54 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 -1.11 0.78 3.31 0.44 0.00 -1.26 -5.03 105.19 102.32 1vle n GLY 766 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1vle n GLY 766 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vle s TYR 767 N -2.97 2.57 -0.50 1.61 5.04 -0.32 -5.09 117.35 117.69 1vle s TYR 767 Ca 0.00 -0.66 -0.20 0.00 -2.44 0.00 0.00 57.07 53.76 1vle s TYR 767 Cb 0.00 -1.67 0.05 0.00 0.35 0.00 0.00 41.96 40.69 1vle s TYR 767 CO 0.00 -0.18 0.69 0.15 -1.34 0.00 0.00 175.55 174.86 1vle s LYS 768 N -0.08 3.20 0.14 4.97 1.02 -1.26 0.15 119.74 127.88 1vle s LYS 768 Ca -0.05 -0.65 -0.11 0.00 0.02 0.00 0.00 55.97 55.19 1vle s LYS 768 Cb -0.14 -4.05 -0.06 0.00 -0.52 0.00 0.00 37.83 33.05 1vle s LYS 768 CO 0.04 -1.21 0.48 0.71 -0.92 0.00 0.00 175.35 174.45 1vle s TYR 769 N 2.91 3.54 0.70 3.18 1.51 0.10 -4.80 117.35 124.50 1vle s TYR 769 Ca 0.20 0.88 -0.15 0.00 -1.01 0.00 0.00 57.07 56.98 1vle s TYR 769 Cb -0.17 -2.24 0.02 0.00 -0.11 0.00 0.00 41.96 39.47 1vle s TYR 769 CO 0.15 0.42 1.17 -0.46 -1.11 0.00 0.00 175.55 175.72 1vle s TRP 770 N -1.55 2.26 -0.05 2.71 -0.11 -1.26 -0.60 118.94 120.34 1vle s TRP 770 Ca 0.39 1.58 -0.03 0.00 1.22 0.00 0.00 56.10 59.26 1vle s TRP 770 Cb -0.13 -3.37 -0.04 0.00 -1.50 0.00 0.00 33.47 28.43 1vle s TRP 770 CO 0.20 -2.26 0.11 0.42 -4.62 0.00 0.00 176.95 170.79 1vle s ILE 771 N -2.09 5.03 -0.08 5.86 1.01 -1.25 -0.52 121.20 129.17 1vle s ILE 771 Ca 0.72 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 61.21 1vle s ILE 771 Cb -0.26 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 38.97 1vle s ILE 771 CO 0.43 0.45 -0.10 -0.32 0.00 0.00 0.00 174.94 175.41 1vle s MET 772 N -1.47 1.50 -0.09 2.79 -2.45 -0.69 -4.44 119.30 114.44 1vle s MET 772 Ca 0.20 -0.31 -0.19 0.00 -1.25 0.00 0.00 55.69 54.14 1vle s MET 772 Cb -0.12 -1.36 -0.04 0.00 1.25 0.00 0.00 34.83 34.56 1vle s MET 772 CO 0.11 -0.08 0.52 1.03 1.05 0.00 0.00 175.02 177.65 1vle s ARG 773 N 1.01 4.33 -0.03 4.11 0.52 0.16 -0.88 118.95 128.18 1vle s ARG 773 Ca -0.08 0.54 0.02 0.00 -0.52 0.00 0.00 55.73 55.69 1vle s ARG 773 Cb -0.15 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 31.91 1vle s ARG 773 CO -0.00 0.20 -0.09 0.08 0.02 0.00 0.00 175.30 175.51 1vle s VAL 774 N 0.46 0.78 0.21 3.52 1.01 -0.26 -1.88 120.40 124.24 1vle s VAL 774 Ca 0.28 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1vle s VAL 774 Cb -0.16 -0.70 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 1vle s VAL 774 CO 0.12 0.25 1.37 0.21 0.00 0.00 0.00 175.10 177.05 1vle s ASN 775 N 0.20 6.79 0.31 3.32 3.84 -1.26 -0.87 114.94 127.27 1vle s ASN 775 Ca -0.03 2.50 0.03 0.00 0.21 0.00 0.00 52.86 55.57 1vle s ASN 775 Cb -0.09 -2.61 0.79 0.00 -0.55 0.00 0.00 41.25 38.79 1vle s ASN 775 CO 0.00 -0.61 1.58 0.77 -2.79 0.00 0.00 177.10 176.05 1vle h SER 776 N 5.43 -0.36 -0.87 -4.21 4.64 -1.85 0.11 113.55 116.44 1vle h SER 776 Ca -0.45 0.27 0.01 0.00 -0.47 0.00 0.00 61.79 61.14 1vle h SER 776 Cb 1.21 0.44 -0.04 0.00 -0.31 0.00 0.00 62.40 63.70 1vle h SER 776 CO 0.79 -0.34 0.57 0.40 -0.87 0.00 0.00 176.83 177.38 1vle h ILE 777 N 0.03 1.23 -0.08 0.95 2.04 -1.90 -0.01 117.51 119.77 1vle h ILE 777 Ca 0.61 -0.44 -0.22 0.00 1.00 0.00 0.00 64.86 65.81 1vle h ILE 777 Cb 1.29 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1vle h ILE 777 CO -0.87 0.23 -0.83 0.44 0.00 0.00 0.00 178.15 177.11 1vle h ASP 778 N 1.19 0.70 -0.33 1.72 3.32 -1.21 -2.70 116.42 119.11 1vle h ASP 778 Ca 0.32 -0.49 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 1vle h ASP 778 Cb -0.11 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 1vle h ASP 778 CO -0.07 1.27 0.09 0.00 -1.72 0.00 0.00 179.24 178.82 1vle h ALA 779 N 0.70 0.43 -0.01 3.45 0.00 -0.87 -2.85 119.26 120.12 1vle h ALA 779 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1vle h ALA 779 Cb 1.45 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1vle h ALA 779 CO 0.15 0.08 0.00 1.49 0.00 0.00 0.00 179.25 180.98 1vle h GLU 780 N 0.37 0.01 -0.19 0.00 4.22 -1.04 0.48 114.58 118.43 1vle h GLU 780 Ca 0.10 -0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.60 1vle h GLU 780 Cb 0.26 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1vle h GLU 780 CO -0.00 0.01 0.32 0.00 -2.18 0.00 0.00 179.01 177.15 1vle h ALA 781 N 1.00 1.71 -0.38 2.92 0.00 -1.40 0.10 119.26 123.21 1vle h ALA 781 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vle h ALA 781 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1vle h ALA 781 CO -0.00 -0.42 0.00 0.54 0.00 0.00 0.00 179.25 179.37 1vle n ARG 782 N -3.42 2.97 -2.07 0.00 1.74 -0.69 -4.95 116.66 110.24 1vle n ARG 782 Ca 0.02 -2.36 -0.19 0.00 -0.77 0.00 0.00 57.85 54.56 1vle n ARG 782 Cb 0.43 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.35 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 0.41 0.37 3.73 -0.13 0.00 0.35 -4.61 105.19 105.30 1vle n GLY 783 Ca 0.16 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.85 5.22 0.22 -0.61 1.01 0.16 -4.97 121.20 119.39 1vle s ILE 784 Ca 0.00 0.82 0.09 0.00 0.00 0.00 0.00 60.65 61.57 1vle s ILE 784 Cb 0.00 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1vle s ILE 784 CO 0.00 0.35 -0.04 -0.54 0.00 0.00 0.00 174.94 174.72 1vle s LYS 785 N 0.51 2.22 0.13 2.79 1.02 -1.26 -4.21 119.74 120.95 1vle s LYS 785 Ca 0.23 -1.33 -0.31 0.00 0.02 0.00 0.00 55.97 54.58 1vle s LYS 785 Cb -0.14 -2.18 -0.11 0.00 -0.52 0.00 0.00 37.83 34.88 1vle s LYS 785 CO 0.08 0.40 1.83 -1.71 -0.92 0.00 0.00 175.35 175.03 1vle n ASN 786 N -0.47 4.05 0.00 2.83 4.05 -1.26 -1.83 115.26 122.64 1vle n ASN 786 Ca -0.08 0.99 0.00 0.00 0.45 0.00 0.00 54.58 55.94 1vle n ASN 786 Cb 0.57 -1.55 0.00 0.00 1.23 0.00 0.00 39.78 40.03 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 4.21 2.80 3.76 8.20 0.00 -0.03 -5.01 105.19 119.12 1vle n GLY 787 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.29 5.44 -0.11 1.61 1.01 -0.76 -4.55 116.67 118.01 1vle s ASP 788 Ca 0.00 2.52 -0.26 0.00 0.71 0.00 0.00 52.55 55.52 1vle s ASP 788 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1vle s ASP 788 CO 0.00 -1.44 0.86 -0.76 0.21 0.00 0.00 175.17 174.04 1vle s LEU 789 N -3.61 4.25 0.25 1.23 1.43 -1.26 -0.85 118.68 120.11 1vle s LEU 789 Ca 0.72 1.32 0.10 0.00 -1.03 0.00 0.00 54.13 55.24 1vle s LEU 789 Cb -0.34 -3.31 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 1vle s LEU 789 CO 0.39 -0.33 -0.17 0.27 0.23 0.00 0.00 176.35 176.74 1vle s ILE 790 N 1.68 2.19 -0.22 -0.59 -4.36 0.15 -1.12 121.20 118.93 1vle s ILE 790 Ca 0.42 -2.33 -0.01 0.00 -0.26 0.00 0.00 60.65 58.47 1vle s ILE 790 Cb -0.18 -2.22 0.02 0.00 1.25 0.00 0.00 42.46 41.33 1vle s ILE 790 CO 0.17 -0.47 -0.10 -0.60 0.24 0.00 0.00 174.94 174.18 1vle s ARG 791 N -3.57 3.01 -0.15 0.37 3.52 0.12 -0.62 118.95 121.64 1vle s ARG 791 Ca 0.27 -0.84 -0.07 0.00 -0.13 0.00 0.00 55.73 54.96 1vle s ARG 791 Cb -0.03 -2.85 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 1vle s ARG 791 CO 0.12 -0.29 0.09 0.00 -0.81 0.00 0.00 175.30 174.41 1vle s ALA 792 N 1.35 3.59 0.26 6.12 0.00 -0.49 -1.80 121.76 130.79 1vle s ALA 792 Ca 0.03 -0.71 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 1vle s ALA 792 Cb -0.15 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.08 1vle s ALA 792 CO -0.07 0.39 0.61 1.52 0.00 0.00 0.00 175.76 178.21 1vle s TYR 793 N -0.30 0.02 0.00 0.00 -0.85 0.00 -0.95 117.35 115.27 1vle s TYR 793 Ca 0.09 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.21 1vle s TYR 793 Cb -0.12 0.49 0.00 0.00 0.38 0.00 0.00 41.96 42.71 1vle s TYR 793 CO 0.01 -1.12 0.00 0.27 -1.52 0.00 0.00 175.55 173.19 1vle n ASN 794 N -0.42 0.00 0.24 -0.18 0.23 -1.04 -1.52 115.26 112.58 1vle n ASN 794 Ca -0.04 -0.57 0.08 0.00 -0.53 0.00 0.00 54.58 53.52 1vle n ASN 794 Cb 0.60 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.90 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 0.86 0.53 3.32 -1.95 -3.04 116.42 116.15 1vle h ASP 795 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1vle h ASP 795 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1vle h ASP 795 CO 0.00 0.11 -0.40 0.03 -1.72 0.00 0.00 179.24 177.27 1vle h ARG 796 N 0.00 0.00 0.00 3.56 3.08 -1.89 -3.50 114.38 115.63 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 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1vle h ARG 796 CO 0.01 0.40 0.00 0.41 -1.07 0.00 0.00 179.97 179.72 1vle n GLY 797 N 0.29 -1.14 3.06 0.04 0.00 -1.15 -4.78 105.19 101.50 1vle n GLY 797 Ca -0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 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 1.11 -0.04 1.61 0.01 -1.26 -2.49 113.70 108.64 1vle s SER 798 Ca 0.00 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 56.91 1vle s SER 798 Cb 0.00 -0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.19 1vle s SER 798 CO 0.00 -0.02 -0.05 -0.69 0.41 0.00 0.00 173.24 172.90 1vle s VAL 799 N -0.76 0.53 -0.24 3.43 1.01 -0.13 -2.11 120.40 122.13 1vle s VAL 799 Ca -0.01 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 1vle s VAL 799 Cb -0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1vle s VAL 799 CO 0.00 0.22 0.43 -0.63 0.00 0.00 0.00 175.10 175.12 1vle s ILE 800 N 0.82 5.15 0.21 2.22 1.09 0.15 -1.39 121.20 129.45 1vle s ILE 800 Ca -0.11 0.72 0.02 0.00 -1.10 0.00 0.00 60.65 60.17 1vle s ILE 800 Cb -0.14 -3.75 -0.05 0.00 -1.06 0.00 0.00 42.46 37.46 1vle s ILE 800 CO 0.00 0.17 0.04 -0.76 -0.10 0.00 0.00 174.94 174.29 1vle s LEU 801 N 1.84 1.93 -0.17 2.97 1.43 0.21 -4.55 118.68 122.34 1vle s LEU 801 Ca 0.18 -1.26 -0.15 0.00 -1.03 0.00 0.00 54.13 51.88 1vle s LEU 801 Cb -0.15 -0.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.98 1vle s LEU 801 CO 0.09 -0.63 0.33 0.00 0.23 0.00 0.00 176.35 176.37 1vle s ALA 802 N -3.68 3.57 0.15 4.21 0.00 0.32 0.31 121.76 126.65 1vle s ALA 802 Ca 0.30 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 1vle s ALA 802 Cb 0.07 -2.48 -0.07 0.00 0.00 0.00 0.00 23.12 20.64 1vle s ALA 802 CO 0.08 -0.04 0.92 0.00 0.00 0.00 0.00 175.76 176.72 1vle s ALA 803 N 0.75 3.30 -0.30 0.00 0.00 -0.03 -1.70 121.76 123.79 1vle s ALA 803 Ca 0.17 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.70 1vle s ALA 803 Cb -0.14 -3.21 0.09 0.00 0.00 0.00 0.00 23.12 19.86 1vle s ALA 803 CO 0.06 0.08 0.02 -1.14 0.00 0.00 0.00 175.76 174.78 1vle s GLN 804 N -0.48 1.38 0.16 0.00 0.74 -0.06 -0.85 119.66 120.55 1vle s GLN 804 Ca 0.43 -1.39 -0.30 0.00 0.05 0.00 0.00 55.36 54.15 1vle s GLN 804 Cb -0.24 -2.71 -0.07 0.00 1.10 0.00 0.00 33.01 31.09 1vle s GLN 804 CO 0.30 -0.83 1.16 0.08 -0.55 0.00 0.00 175.29 175.44 1vle s VAL 805 N 1.23 3.77 0.28 1.34 1.01 -1.26 -1.10 120.40 125.67 1vle s VAL 805 Ca 0.05 1.47 -0.08 0.00 0.00 0.00 0.00 61.98 63.41 1vle s VAL 805 Cb -0.19 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 1vle s VAL 805 CO -0.12 0.22 0.45 0.28 0.00 0.00 0.00 175.10 175.94 1vle s THR 806 N 0.04 0.00 -1.31 3.92 -1.32 -0.05 -4.89 115.64 112.02 1vle s THR 806 Ca 0.52 -1.51 0.11 0.00 -1.21 0.00 0.00 61.69 59.60 1vle s THR 806 Cb -0.31 -2.41 0.13 0.00 -1.51 0.00 0.00 72.50 68.41 1vle s THR 806 CO 0.35 0.00 0.94 -0.62 -2.21 0.00 0.00 174.62 173.08 1vle n GLU 807 N -0.44 1.03 -0.10 7.08 -0.58 -1.26 -2.53 120.64 123.85 1vle n GLU 807 Ca -0.01 -1.35 0.00 0.00 -0.42 0.00 0.00 57.16 55.39 1vle n GLU 807 Cb 0.62 -1.23 0.04 0.00 -0.57 0.00 0.00 31.44 30.30 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 -0.30 1.14 0.22 0.00 1.43 -1.26 -1.39 118.68 118.51 1vle s LEU 809 Ca 0.06 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.05 1vle s LEU 809 Cb 0.05 0.91 -0.09 0.00 0.03 0.00 0.00 46.19 47.09 1vle s LEU 809 CO 0.02 -0.26 1.14 -1.58 0.23 0.00 0.00 176.35 175.89 1vle s GLN 810 N -0.68 4.57 0.13 1.70 0.74 -1.25 -4.77 119.66 120.10 1vle s GLN 810 Ca -0.08 1.82 -0.34 0.00 0.05 0.00 0.00 55.36 56.81 1vle s GLN 810 Cb -0.04 -3.23 -0.17 0.00 1.10 0.00 0.00 33.01 30.67 1vle s GLN 810 CO 0.02 0.06 1.13 -2.30 -0.55 0.00 0.00 175.29 173.66 1vle n PRO 811 N 1.92 0.88 0.00 1.67 -0.02 -1.26 -0.84 135.00 137.36 1vle n PRO 811 Ca 0.02 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1vle n PRO 811 Cb 0.45 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1vle n PRO 811 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vle n GLY 812 N 2.03 0.18 3.34 -1.23 0.00 -1.26 -5.07 105.19 103.18 1vle n GLY 812 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1vle n GLY 812 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vle s THR 813 N -2.00 2.62 0.20 2.61 2.01 -0.02 -1.25 115.64 119.82 1vle s THR 813 Ca 0.00 -0.84 0.11 0.00 0.31 0.00 0.00 61.69 61.26 1vle s THR 813 Cb 0.00 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1vle s THR 813 CO 0.00 0.56 -0.18 0.68 -0.69 0.00 0.00 174.62 174.99 1vle s VAL 814 N -0.02 2.68 -0.03 3.82 -7.23 -0.30 -4.29 120.40 115.04 1vle s VAL 814 Ca -0.06 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.17 1vle s VAL 814 Cb -0.15 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.49 1vle s VAL 814 CO 0.05 -0.16 -0.03 -2.28 -0.31 0.00 0.00 175.10 172.37 1vle s HIS 815 N -1.80 0.46 -0.21 2.82 5.04 -0.79 -2.51 115.29 118.30 1vle s HIS 815 Ca 0.24 -0.08 -0.07 0.00 -1.54 0.00 0.00 55.06 53.61 1vle s HIS 815 Cb -0.08 -0.43 0.10 0.00 0.04 0.00 0.00 32.58 32.21 1vle s HIS 815 CO 0.13 -0.11 0.44 0.45 -2.34 0.00 0.00 174.74 173.30 1vle s SER 816 N 0.65 -0.30 0.63 9.88 0.15 -1.10 0.41 113.70 124.01 1vle s SER 816 Ca -0.07 0.95 -0.19 0.00 0.70 0.00 0.00 55.95 57.34 1vle s SER 816 Cb -0.10 1.42 -0.02 0.00 -1.71 0.00 0.00 66.02 65.60 1vle s SER 816 CO -0.01 -0.24 1.24 -1.22 1.20 0.00 0.00 173.24 174.21 1vle n TYR 817 N 5.39 1.75 -2.08 3.44 0.53 -1.26 -4.09 117.16 120.84 1vle n TYR 817 Ca -0.08 0.42 0.00 0.00 -1.02 0.00 0.00 57.90 57.22 1vle n TYR 817 Cb 0.49 -2.25 0.00 0.00 -1.03 0.00 0.00 39.34 36.55 1vle n TYR 817 CO 0.00 0.00 0.00 -0.85 -1.02 0.00 0.00 176.86 174.99 1vle n GLU 818 N -1.63 1.19 -1.10 -0.72 -0.00 -0.22 -4.71 120.64 113.46 1vle n GLU 818 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 57.16 57.28 1vle n GLU 818 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 31.44 31.90 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 -2.11 -4.11 -4.60 -1.84 7.64 -0.26 -4.11 113.62 104.23 1vle n SER 819 Ca 0.00 0.08 -0.50 0.00 1.01 0.00 0.00 58.87 59.47 1vle n SER 819 Cb 0.00 -1.90 -0.05 0.00 -1.01 0.00 0.00 64.21 61.25 1vle n SER 819 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vle h ALA 821 N 4.31 0.71 -2.77 0.00 0.00 -1.84 -3.38 119.26 116.28 1vle h ALA 821 Ca -0.46 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 53.83 1vle h ALA 821 Cb 1.32 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 1vle h ALA 821 CO 0.76 0.00 -0.26 0.08 0.00 0.00 0.00 179.25 179.84 1vle s VAL 822 N -3.28 5.20 -0.29 0.00 1.01 -1.26 -3.15 120.40 118.63 1vle s VAL 822 Ca 0.03 0.55 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 1vle s VAL 822 Cb 0.08 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.81 1vle s VAL 822 CO 0.73 0.19 0.02 -0.47 0.00 0.00 0.00 175.10 175.57 1vle s TYR 823 N 1.88 3.16 -0.40 5.22 5.04 -1.26 -4.04 117.35 126.94 1vle s TYR 823 Ca 0.15 -1.40 0.03 0.00 -2.44 0.00 0.00 57.07 53.41 1vle s TYR 823 Cb -0.15 -2.17 0.16 0.00 0.35 0.00 0.00 41.96 40.15 1vle s TYR 823 CO 0.09 -0.69 0.32 0.34 -1.34 0.00 0.00 175.55 174.27 1vle s ASP 824 N 1.38 1.66 0.33 4.32 2.15 -1.26 -4.74 116.67 120.52 1vle s ASP 824 Ca -0.00 -2.87 -0.28 0.00 0.43 0.00 0.00 52.55 49.82 1vle s ASP 824 Cb -0.18 -0.39 -0.10 0.00 -0.30 0.00 0.00 42.92 41.96 1vle s ASP 824 CO -0.00 -0.20 1.22 -2.16 -0.17 0.00 0.00 175.17 173.86 1vle s PRO 825 N 0.28 4.37 0.42 4.34 0.04 -1.26 -1.28 135.00 141.90 1vle s PRO 825 Ca 0.30 2.03 0.24 0.00 0.04 0.00 0.00 61.00 63.61 1vle s PRO 825 Cb -0.01 -3.02 0.47 0.00 0.04 0.00 0.00 34.50 31.97 1vle s PRO 825 CO -0.16 -0.11 1.65 -0.07 0.04 0.00 0.00 177.00 178.36 1vle h LEU 826 N 3.34 0.00 0.00 -3.56 3.38 -0.94 -3.43 115.31 114.09 1vle h LEU 826 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1vle h LEU 826 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1vle h LEU 826 CO 0.65 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.79 1vle n GLY 827 N 1.05 5.46 3.74 0.83 0.00 -1.26 -4.93 105.19 110.08 1vle n GLY 827 Ca 0.04 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 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 2.79 2.75 0.28 2.61 2.01 -1.26 -4.43 115.64 120.39 1vle s THR 828 Ca 0.00 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.32 1vle s THR 828 Cb 0.00 -3.40 -0.13 0.00 0.01 0.00 0.00 72.50 68.98 1vle s THR 828 CO 0.00 0.09 1.27 0.00 -0.69 0.00 0.00 174.62 175.29 1vle n ALA 829 N 2.51 0.73 -0.86 7.40 0.00 -1.26 -1.09 120.51 127.93 1vle n ALA 829 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1vle n ALA 829 Cb 0.41 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1vle n ALA 829 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vle n GLY 830 N 1.51 0.17 0.00 0.00 0.00 -1.26 -4.72 105.19 100.89 1vle n GLY 830 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.76 -0.01 -4.22 1.61 5.02 -0.25 -4.81 118.16 114.73 1vle n LYS 831 Ca 0.00 -0.20 -0.16 0.00 -2.02 0.00 0.00 58.31 55.94 1vle n LYS 831 Cb 0.23 -0.66 -0.08 0.00 -0.02 0.00 0.00 35.03 34.50 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 -0.05 0.91 0.56 4.39 1.04 -0.94 -2.14 113.70 117.46 1vle s SER 832 Ca 0.00 -1.55 -0.21 0.00 0.48 0.00 0.00 55.95 54.67 1vle s SER 832 Cb 0.00 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1vle s SER 832 CO 0.00 -0.99 1.32 0.00 0.98 0.00 0.00 173.24 174.55 1vle s ALA 833 N -3.73 2.73 -0.03 5.32 0.00 -0.66 -4.73 121.76 120.66 1vle s ALA 833 Ca 0.38 1.26 0.03 0.00 0.00 0.00 0.00 51.96 53.63 1vle s ALA 833 Cb 0.04 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1vle s ALA 833 CO 0.20 -1.34 -0.10 0.34 0.00 0.00 0.00 175.76 174.86 1vle s ASP 834 N -1.11 4.41 0.00 0.00 2.15 -0.90 -0.29 116.67 120.93 1vle s ASP 834 Ca 0.73 -0.15 0.09 0.00 0.43 0.00 0.00 52.55 53.66 1vle s ASP 834 Cb -0.38 -1.00 0.07 0.00 -0.30 0.00 0.00 42.92 41.30 1vle s ASP 834 CO 0.44 0.32 0.78 -2.11 -0.17 0.00 0.00 175.17 174.43 1vle n ARG 835 N 1.94 0.40 -0.05 4.34 1.85 -0.40 -0.68 116.66 124.07 1vle n ARG 835 Ca -0.17 -1.01 -0.05 0.00 -1.00 0.00 0.00 57.85 55.62 1vle n ARG 835 Cb 0.53 -1.17 0.15 0.00 -1.05 0.00 0.00 32.46 30.92 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 1.80 0.71 0.00 2.89 0.00 -1.74 -3.42 103.07 103.31 1vle h GLY 836 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1vle h GLY 836 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 176.54 177.67 1vle n GLY 837 N -0.38 1.82 3.58 4.60 0.00 -1.26 -4.38 105.19 109.17 1vle n GLY 837 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 6.13 0.91 0.00 0.00 1.08 -1.88 -1.81 117.51 121.93 1vle h ILE 839 Ca 0.29 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.62 1vle h ILE 839 Cb 0.93 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1vle h ILE 839 CO 1.33 0.07 0.00 0.59 -0.69 0.00 0.00 178.15 179.45 1vle n ASN 840 N -4.47 0.00 0.14 1.72 3.02 -1.26 -0.71 115.26 113.70 1vle n ASN 840 Ca 0.09 -0.29 -0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1vle n ASN 840 Cb 0.35 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.71 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 1.34 0.00 2.41 2.04 -1.56 -0.45 117.51 121.30 1vle h ILE 841 Ca 0.00 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.78 1vle h ILE 841 Cb 0.00 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1vle h ILE 841 CO 0.00 0.58 -1.06 0.18 0.00 0.00 0.00 178.15 177.84 1vle n LEU 842 N -3.72 0.62 -4.78 1.44 4.77 0.11 -4.17 117.00 111.28 1vle n LEU 842 Ca -0.01 0.11 -0.37 0.00 -0.03 0.00 0.00 56.01 55.71 1vle n LEU 842 Cb 0.61 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1vle n LEU 842 CO 0.41 -0.04 0.75 0.42 -1.33 0.00 0.00 177.39 177.61 1vle s THR 843 N -3.27 3.62 0.20 -5.08 -4.23 -1.23 -4.82 115.64 100.84 1vle s THR 843 Ca 0.02 1.32 -0.31 0.00 -1.18 0.00 0.00 61.69 61.54 1vle s THR 843 Cb 0.13 -3.72 -0.11 0.00 1.34 0.00 0.00 72.50 70.14 1vle s THR 843 CO 0.80 0.09 1.62 -2.16 -0.54 0.00 0.00 174.62 174.42 1vle s PRO 844 N -2.27 4.17 0.00 3.99 0.04 -1.26 -0.49 135.00 139.19 1vle s PRO 844 Ca 0.55 2.47 0.26 0.00 0.04 0.00 0.00 61.00 64.32 1vle s PRO 844 Cb -0.25 -3.10 0.65 0.00 0.04 0.00 0.00 34.50 31.83 1vle s PRO 844 CO 0.31 -0.65 1.51 -0.40 0.04 0.00 0.00 177.00 177.82 1vle n ASP 845 N 3.60 2.04 -4.74 6.66 3.85 -1.26 -4.44 116.55 122.26 1vle n ASP 845 Ca 0.13 -1.63 -0.41 0.00 -0.71 0.00 0.00 54.79 52.17 1vle n ASP 845 Cb 0.37 0.04 -0.03 0.00 -1.35 0.00 0.00 41.12 40.15 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 -2.07 4.44 0.54 0.11 3.52 -1.26 -4.98 118.95 119.26 1vle s ARG 846 Ca 0.32 2.00 -0.22 0.00 -0.13 0.00 0.00 55.73 57.70 1vle s ARG 846 Cb 0.20 -3.19 -0.05 0.00 -1.56 0.00 0.00 34.95 30.36 1vle s ARG 846 CO 0.35 -0.14 1.38 0.66 -0.81 0.00 0.00 175.30 176.74 1vle n TYR 847 N 2.16 2.37 -0.34 5.12 0.53 -1.26 -4.34 117.16 121.41 1vle n TYR 847 Ca 0.04 0.43 0.27 0.00 -1.02 0.00 0.00 57.90 57.61 1vle n TYR 847 Cb 0.43 -2.38 0.57 0.00 -1.03 0.00 0.00 39.34 36.93 1vle n TYR 847 CO 0.00 0.00 0.00 0.82 -1.02 0.00 0.00 176.86 176.66 1vle h ILE 848 N 1.48 0.45 -3.76 -0.72 2.04 -1.18 -3.43 117.51 112.39 1vle h ILE 848 Ca -0.51 -0.10 -0.15 0.00 1.00 0.00 0.00 64.86 65.10 1vle h ILE 848 Cb 1.30 0.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 1vle h ILE 848 CO 0.57 0.05 -0.08 -0.94 0.00 0.00 0.00 178.15 177.75 1vle s SER 849 N -5.13 0.40 0.22 1.72 1.04 -1.04 -4.94 113.70 105.95 1vle s SER 849 Ca -0.08 -1.23 -0.08 0.00 0.48 0.00 0.00 55.95 55.04 1vle s SER 849 Cb 0.26 0.67 0.28 0.00 0.10 0.00 0.00 66.02 67.33 1vle s SER 849 CO 0.80 -1.31 1.80 0.50 0.98 0.00 0.00 173.24 176.01 1vle h LYS 850 N 2.14 0.66 0.00 4.02 3.64 -1.93 -3.17 116.57 121.93 1vle h LYS 850 Ca -0.28 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1vle h LYS 850 Cb 1.25 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1vle h LYS 850 CO 0.38 0.44 -0.80 0.66 -2.27 0.00 0.00 179.45 177.85 1vle n TYR 851 N -4.80 0.00 -2.75 1.91 4.01 -1.26 -4.74 117.16 109.53 1vle n TYR 851 Ca 0.10 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.41 1vle n TYR 851 Cb 0.21 -0.07 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 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 -2.31 3.29 -1.47 -0.72 0.00 -1.20 -4.65 121.76 114.71 1vle s ALA 852 Ca 0.02 -2.77 -0.10 0.00 0.00 0.00 0.00 51.96 49.12 1vle s ALA 852 Cb 0.09 -4.33 -0.07 0.00 0.00 0.00 0.00 23.12 18.81 1vle s ALA 852 CO 0.50 -3.19 2.72 0.00 0.00 0.00 0.00 175.76 175.79 1vle s GLY 854 N 2.56 2.42 0.11 0.00 0.00 -1.26 -4.88 107.32 106.27 1vle s GLY 854 Ca 0.62 -1.98 -0.24 0.00 0.00 0.00 0.00 44.72 43.12 1vle s GLY 854 CO -0.05 -2.00 0.74 -3.16 0.00 0.00 0.00 173.10 168.62 1vle s MET 855 N -3.79 4.48 -0.38 2.90 0.23 -1.26 -1.95 119.30 119.54 1vle s MET 855 Ca 0.32 1.05 0.06 0.00 -1.03 0.00 0.00 55.69 56.09 1vle s MET 855 Cb 0.08 -3.29 0.48 0.00 -1.53 0.00 0.00 34.83 30.57 1vle s MET 855 CO 0.16 0.48 1.50 0.00 -2.03 0.00 0.00 175.02 175.13 1vle n ALA 856 N 2.05 5.06 -0.24 3.16 0.00 -1.26 -3.82 120.51 125.46 1vle n ALA 856 Ca -0.05 -3.46 0.04 0.00 0.00 0.00 0.00 53.44 49.97 1vle n ALA 856 Cb 0.50 -0.83 0.14 0.00 0.00 0.00 0.00 19.45 19.25 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 1.65 -0.33 0.00 0.00 4.21 -1.74 -3.13 115.58 116.24 1vle h ASN 857 Ca 0.37 0.18 0.00 0.00 1.21 0.00 0.00 56.30 58.06 1vle h ASN 857 Cb 1.45 0.32 0.00 0.00 -1.12 0.00 0.00 38.32 38.97 1vle h ASN 857 CO 0.81 -0.16 0.00 0.59 -1.29 0.00 0.00 177.43 177.38 1vle n ASN 858 N -5.32 0.22 -3.76 5.81 3.02 -0.22 -4.10 115.26 110.91 1vle n ASN 858 Ca 0.12 -1.20 -0.30 0.00 -0.03 0.00 0.00 54.58 53.17 1vle n ASN 858 Cb 0.43 -0.11 -0.15 0.00 -0.61 0.00 0.00 39.78 39.34 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 -1.63 1.03 -0.04 3.41 -4.23 -1.18 -4.37 115.64 108.62 1vle s THR 859 Ca 0.00 -1.54 -0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1vle s THR 859 Cb 0.00 -1.78 0.03 0.00 1.34 0.00 0.00 72.50 72.09 1vle s THR 859 CO 0.00 -0.68 0.01 0.00 -0.54 0.00 0.00 174.62 173.41 1vle s ALA 860 N 1.49 0.40 -0.14 3.99 0.00 -0.89 -4.60 121.76 122.01 1vle s ALA 860 Ca 0.10 0.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.98 1vle s ALA 860 Cb -0.18 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1vle s ALA 860 CO -0.22 -0.22 0.48 -0.51 0.00 0.00 0.00 175.76 175.28 1vle s LEU 861 N 1.40 4.24 0.00 0.00 1.43 -1.26 0.28 118.68 124.78 1vle s LEU 861 Ca -0.04 0.76 0.03 0.00 -1.03 0.00 0.00 54.13 53.84 1vle s LEU 861 Cb -0.13 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.40 1vle s LEU 861 CO -0.03 -0.04 0.24 1.33 0.23 0.00 0.00 176.35 178.08 1vle n VAL 862 N 3.89 0.00 -3.92 -1.59 0.24 -0.35 -4.79 118.33 111.81 1vle n VAL 862 Ca -0.07 -1.42 -0.10 0.00 -2.04 0.00 0.00 64.34 60.71 1vle n VAL 862 Cb 0.51 0.76 -0.11 0.00 -1.47 0.00 0.00 33.84 33.54 1vle n VAL 862 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1vle s GLU 863 N -2.74 0.33 0.08 7.34 2.56 -0.57 -1.94 118.70 123.76 1vle s GLU 863 Ca 0.23 -0.40 0.04 0.00 0.00 0.00 0.00 54.97 54.85 1vle s GLU 863 Cb 0.01 0.13 -0.03 0.00 2.00 0.00 0.00 34.13 36.23 1vle s GLU 863 CO 0.17 -0.07 -0.11 0.96 -0.56 0.00 0.00 175.26 175.65 1vle s ILE 864 N -1.14 0.98 0.09 -3.70 -4.36 -1.26 -0.82 121.20 110.99 1vle s ILE 864 Ca -0.12 -1.47 -0.25 0.00 -0.26 0.00 0.00 60.65 58.55 1vle s ILE 864 Cb -0.07 -1.19 0.07 0.00 1.25 0.00 0.00 42.46 42.51 1vle s ILE 864 CO 0.00 -0.42 0.60 -1.83 0.24 0.00 0.00 174.94 173.53 1vle s GLU 865 N -2.30 1.18 0.35 0.37 -1.05 -0.75 -4.97 118.70 111.53 1vle s GLU 865 Ca 0.02 -0.26 -0.28 0.00 -0.15 0.00 0.00 54.97 54.29 1vle s GLU 865 Cb -0.06 0.54 -0.11 0.00 -0.44 0.00 0.00 34.13 34.06 1vle s GLU 865 CO 0.01 -0.47 1.49 1.63 0.95 0.00 0.00 175.26 178.87 1vle n LYS 866 N 0.07 2.61 -2.44 -4.83 5.02 -1.26 0.10 118.16 117.44 1vle n LYS 866 Ca -0.18 0.92 -0.42 0.00 -2.02 0.00 0.00 58.31 56.61 1vle n LYS 866 Cb 0.62 -2.64 -0.03 0.00 -0.02 0.00 0.00 35.03 32.96 1vle n LYS 866 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1vle s TRP 867 N -0.86 3.24 -1.19 2.13 -0.00 -0.27 -4.65 118.94 117.33 1vle s TRP 867 Ca 0.56 1.22 0.28 0.00 -0.00 0.00 0.00 56.10 58.16 1vle s TRP 867 Cb -0.49 -3.43 1.04 0.00 -0.00 0.00 0.00 33.47 30.59 1vle s TRP 867 CO 0.60 -1.36 1.77 -0.40 -0.00 0.00 0.00 176.95 177.57 1vle n ASP 868 N 4.84 0.27 0.00 5.86 5.75 -1.26 -4.93 116.55 127.08 1vle n ASP 868 Ca 0.10 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1vle n ASP 868 Cb 0.46 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 1vle n ASP 868 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vle n GLY 869 N 1.43 0.52 3.81 6.12 0.00 -1.26 -5.08 105.19 110.73 1vle n GLY 869 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.99 5.47 0.07 1.61 3.68 -1.26 -4.96 116.67 118.30 1vle s ASP 870 Ca 0.00 1.73 0.25 0.00 2.13 0.00 0.00 52.55 56.66 1vle s ASP 870 Cb 0.00 -2.52 0.50 0.00 -1.45 0.00 0.00 42.92 39.46 1vle s ASP 870 CO 0.00 -1.38 1.43 2.29 0.13 0.00 0.00 175.17 177.64 1vle n LYS 871 N -2.67 0.16 -3.82 4.34 2.85 -1.26 -4.97 118.16 112.79 1vle n LYS 871 Ca 0.08 0.05 -0.35 0.00 -1.05 0.00 0.00 58.31 57.05 1vle n LYS 871 Cb 0.53 -1.61 0.03 0.00 -0.65 0.00 0.00 35.03 33.33 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 -1.84 -1.79 -2.79 5.58 4.02 -1.26 -1.65 117.16 117.44 1vle n TYR 872 Ca 0.04 0.40 -0.44 0.00 -0.01 0.00 0.00 57.90 57.90 1vle n TYR 872 Cb 0.39 -3.11 0.00 0.00 -0.02 0.00 0.00 39.34 36.61 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 -4.14 3.37 -1.13 -0.72 2.13 -1.26 -3.39 120.64 115.49 1vle n GLU 873 Ca -0.13 -3.70 0.04 0.00 0.66 0.00 0.00 57.16 54.03 1vle n GLU 873 Cb 0.59 -3.10 0.05 0.00 0.27 0.00 0.00 31.44 29.25 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 4.71 0.40 -0.29 6.31 -5.35 -1.05 -4.95 119.36 119.14 1vle n ILE 874 Ca 0.39 -1.21 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 1vle n ILE 874 Cb 0.42 0.68 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 1vle n ILE 874 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57