#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vlf n GLY 2 N 0.00 1.33 3.92 3.03 0.00 -1.26 -5.01 105.19 107.20 1vlf n GLY 2 Ca 0.00 -1.30 -0.26 0.00 0.00 0.00 0.00 46.02 44.46 1vlf n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vlf s GLU 3 N -2.21 3.42 0.13 1.61 0.41 -1.26 -4.72 118.70 116.07 1vlf s GLU 3 Ca 0.16 -0.07 -0.30 0.00 -0.41 0.00 0.00 54.97 54.35 1vlf s GLU 3 Cb -0.04 -2.48 -0.07 0.00 -1.78 0.00 0.00 34.13 29.77 1vlf s GLU 3 CO 0.12 -0.14 1.08 0.08 -0.49 0.00 0.00 175.26 175.92 1vlf s VAL 4 N -2.60 4.09 -0.03 2.63 1.01 -1.26 -4.60 120.40 119.65 1vlf s VAL 4 Ca 0.46 1.70 0.07 0.00 0.00 0.00 0.00 61.98 64.21 1vlf s VAL 4 Cb -0.10 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1vlf s VAL 4 CO 0.41 0.24 -0.23 -0.69 0.00 0.00 0.00 175.10 174.83 1vlf s VAL 5 N 0.16 1.85 -0.31 2.92 1.01 0.31 -4.94 120.40 121.40 1vlf s VAL 5 Ca 0.51 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 1vlf s VAL 5 Cb -0.28 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1vlf s VAL 5 CO 0.32 0.52 0.36 -0.60 0.00 0.00 0.00 175.10 175.70 1vlf s ARG 6 N -0.45 3.80 0.51 2.72 3.52 -1.26 -1.02 118.95 126.77 1vlf s ARG 6 Ca 0.06 -0.20 0.04 0.00 -0.13 0.00 0.00 55.73 55.50 1vlf s ARG 6 Cb -0.10 -3.73 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 1vlf s ARG 6 CO 0.00 -0.39 0.20 -0.51 -0.81 0.00 0.00 175.30 173.79 1vlf s LEU 7 N 2.03 2.56 0.13 -0.88 1.43 0.89 -4.93 118.68 119.91 1vlf s LEU 7 Ca 0.13 -1.41 0.09 0.00 -1.03 0.00 0.00 54.13 51.91 1vlf s LEU 7 Cb -0.16 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 1vlf s LEU 7 CO 0.11 -0.93 -0.22 0.42 0.23 0.00 0.00 176.35 175.96 1vlf s THR 8 N -2.80 1.92 0.15 5.49 -4.23 -1.26 -0.29 115.64 114.62 1vlf s THR 8 Ca 0.22 -1.70 -0.15 0.00 -1.18 0.00 0.00 61.69 58.89 1vlf s THR 8 Cb 0.00 -1.76 0.05 0.00 1.34 0.00 0.00 72.50 72.14 1vlf s THR 8 CO 0.13 -0.07 0.72 -3.20 -0.54 0.00 0.00 174.62 171.66 1vlf n ASN 9 N 0.85 -1.31 -1.99 3.99 2.85 -0.96 -1.13 115.26 117.57 1vlf n ASN 9 Ca -0.18 -1.73 -0.07 0.00 -0.11 0.00 0.00 54.58 52.50 1vlf n ASN 9 Cb 0.54 2.14 -0.01 0.00 1.24 0.00 0.00 39.78 43.69 1vlf n ASN 9 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1vlf n SER 10 N -1.14 -0.77 -3.39 1.20 2.88 -1.26 -1.12 113.62 110.02 1vlf n SER 10 Ca -0.02 -1.94 -0.04 0.00 -1.33 0.00 0.00 58.87 55.54 1vlf n SER 10 Cb 0.42 1.39 0.01 0.00 -0.75 0.00 0.00 64.21 65.28 1vlf n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1vlf s SER 11 N -2.09 -0.04 0.00 -3.46 1.04 -1.01 -4.78 113.70 103.36 1vlf s SER 11 Ca 0.14 -0.68 0.13 0.00 0.48 0.00 0.00 55.95 56.02 1vlf s SER 11 Cb -0.01 0.55 0.73 0.00 0.10 0.00 0.00 66.02 67.39 1vlf s SER 11 CO 0.10 -1.07 1.30 0.35 0.98 0.00 0.00 173.24 174.90 1vlf n THR 12 N -0.62 0.40 -0.37 2.02 -2.24 -1.26 -1.51 114.28 110.69 1vlf n THR 12 Ca -0.04 0.10 0.05 0.00 -2.27 0.00 0.00 64.05 61.88 1vlf n THR 12 Cb 0.60 -0.88 0.12 0.00 -2.10 0.00 0.00 70.33 68.06 1vlf n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vlf n GLY 13 N -0.15 3.34 0.00 3.38 0.00 -1.26 -3.86 105.19 106.63 1vlf n GLY 13 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1vlf n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vlf n GLY 14 N -0.26 2.78 3.77 -0.02 0.00 -0.57 -1.80 105.19 109.09 1vlf n GLY 14 Ca 0.10 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1vlf n GLY 14 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1vlf s PRO 15 N -2.92 3.01 0.06 1.61 0.02 -1.26 -2.40 135.00 133.12 1vlf s PRO 15 Ca 0.00 1.57 -0.07 0.00 0.02 0.00 0.00 61.00 62.51 1vlf s PRO 15 Cb 0.00 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.55 1vlf s PRO 15 CO 0.00 -1.12 0.14 0.14 -0.33 0.00 0.00 177.00 175.83 1vlf s VAL 16 N -1.98 0.14 -0.21 3.83 -7.23 -0.27 -4.42 120.40 110.26 1vlf s VAL 16 Ca 0.71 -1.19 -0.10 0.00 -1.81 0.00 0.00 61.98 59.58 1vlf s VAL 16 Cb -0.24 -1.19 -0.05 0.00 0.56 0.00 0.00 36.38 35.46 1vlf s VAL 16 CO 0.35 -0.66 0.15 -0.36 -0.31 0.00 0.00 175.10 174.27 1vlf s PHE 17 N -3.36 3.38 -0.19 2.82 2.99 -0.26 -2.26 117.98 121.10 1vlf s PHE 17 Ca 0.01 0.32 -0.02 0.00 0.00 0.00 0.00 56.93 57.25 1vlf s PHE 17 Cb 0.03 -2.21 0.00 0.00 0.00 0.00 0.00 43.02 40.84 1vlf s PHE 17 CO -0.08 0.22 -0.11 0.08 -0.00 0.00 0.00 175.22 175.32 1vlf s VAL 18 N 0.59 2.87 -0.23 -0.44 1.01 0.60 -1.37 120.40 123.42 1vlf s VAL 18 Ca 0.09 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1vlf s VAL 18 Cb -0.12 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1vlf s VAL 18 CO 0.00 0.48 0.44 -0.31 0.00 0.00 0.00 175.10 175.72 1vlf s TYR 19 N 1.25 3.31 0.01 5.22 1.51 -0.58 -0.08 117.35 127.99 1vlf s TYR 19 Ca 0.03 0.60 0.07 0.00 -1.01 0.00 0.00 57.07 56.76 1vlf s TYR 19 Cb -0.14 -2.61 -0.02 0.00 -0.11 0.00 0.00 41.96 39.07 1vlf s TYR 19 CO -0.05 -0.15 -0.21 0.08 -1.11 0.00 0.00 175.55 174.11 1vlf s VAL 20 N 1.83 1.67 -0.08 0.71 1.01 -0.19 0.24 120.40 125.58 1vlf s VAL 20 Ca 0.19 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1vlf s VAL 20 Cb -0.15 -1.42 0.04 0.00 0.00 0.00 0.00 36.38 34.85 1vlf s VAL 20 CO 0.09 0.35 0.18 -0.75 0.00 0.00 0.00 175.10 174.97 1vlf s LYS 21 N -0.81 0.12 -1.39 2.72 2.20 -0.40 -0.53 119.74 121.65 1vlf s LYS 21 Ca 0.08 0.46 -0.02 0.00 -0.36 0.00 0.00 55.97 56.13 1vlf s LYS 21 Cb -0.08 -0.16 0.02 0.00 -1.51 0.00 0.00 37.83 36.09 1vlf s LYS 21 CO 0.00 -0.18 0.62 -0.25 -0.36 0.00 0.00 175.35 175.18 1vlf n ASP 22 N 4.38 -1.28 -1.07 1.43 8.00 -1.26 -1.45 116.55 125.30 1vlf n ASP 22 Ca -0.23 -0.90 -0.14 0.00 0.71 0.00 0.00 54.79 54.23 1vlf n ASP 22 Cb 0.52 -3.59 -0.06 0.00 -0.02 0.00 0.00 41.12 37.97 1vlf n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vlf n GLY 23 N -1.74 1.41 3.09 0.44 0.00 -1.26 -4.99 105.19 102.13 1vlf n GLY 23 Ca -0.25 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 1vlf n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vlf s LYS 24 N -3.11 1.46 -0.05 1.61 2.20 -0.53 -4.69 119.74 116.64 1vlf s LYS 24 Ca 0.00 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 54.81 1vlf s LYS 24 Cb 0.00 -1.30 -0.03 0.00 -1.51 0.00 0.00 37.83 34.98 1vlf s LYS 24 CO 0.00 0.20 1.20 0.42 -0.36 0.00 0.00 175.35 176.81 1vlf s ILE 25 N 0.08 4.25 -0.19 5.43 1.01 -1.26 -1.27 121.20 129.24 1vlf s ILE 25 Ca -0.03 1.58 -0.18 0.00 0.00 0.00 0.00 60.65 62.02 1vlf s ILE 25 Cb -0.10 -4.01 -0.20 0.00 0.01 0.00 0.00 42.46 38.15 1vlf s ILE 25 CO 0.01 0.01 0.22 -0.38 0.00 0.00 0.00 174.94 174.80 1vlf n ILE 26 N 4.56 1.59 -3.59 2.92 5.41 0.14 -4.97 119.36 125.42 1vlf n ILE 26 Ca 0.11 -0.19 -0.10 0.00 1.00 0.00 0.00 62.75 63.56 1vlf n ILE 26 Cb 0.46 -1.96 -0.02 0.00 -0.71 0.00 0.00 39.64 37.41 1vlf n ILE 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vlf s ARG 27 N -2.42 1.45 -0.05 0.38 1.70 -1.21 -5.01 118.95 113.79 1vlf s ARG 27 Ca -0.28 -0.67 0.02 0.00 -0.47 0.00 0.00 55.73 54.33 1vlf s ARG 27 Cb 0.06 0.59 0.01 0.00 -0.57 0.00 0.00 34.95 35.04 1vlf s ARG 27 CO 0.63 -0.64 -0.11 -1.64 -1.08 0.00 0.00 175.30 172.45 1vlf s MET 28 N -3.81 1.49 0.15 3.89 -1.94 -1.26 -1.53 119.30 116.28 1vlf s MET 28 Ca 0.05 -0.38 -0.00 0.00 -1.71 0.00 0.00 55.69 53.64 1vlf s MET 28 Cb -0.03 -1.28 -0.04 0.00 2.01 0.00 0.00 34.83 35.50 1vlf s MET 28 CO -0.06 0.05 0.04 0.95 -0.01 0.00 0.00 175.02 176.00 1vlf s THR 29 N 0.54 0.30 1.02 2.05 -4.23 -0.47 -4.95 115.64 109.90 1vlf s THR 29 Ca -0.11 -1.94 -0.12 0.00 -1.18 0.00 0.00 61.69 58.34 1vlf s THR 29 Cb -0.14 -2.09 0.20 0.00 1.34 0.00 0.00 72.50 71.81 1vlf s THR 29 CO 0.03 -0.45 1.08 -2.84 -0.54 0.00 0.00 174.62 171.89 1vlf s PRO 30 N -4.00 0.26 -0.15 3.99 0.02 -1.26 -1.10 135.00 132.74 1vlf s PRO 30 Ca 0.24 0.68 -0.06 0.00 0.02 0.00 0.00 61.00 61.89 1vlf s PRO 30 Cb 0.07 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.85 1vlf s PRO 30 CO 0.03 -2.89 0.04 -1.64 -0.33 0.00 0.00 177.00 172.21 1vlf s MET 31 N -4.83 3.68 -0.16 5.54 -1.94 -1.26 -4.47 119.30 115.86 1vlf s MET 31 Ca 0.66 -0.37 -0.14 0.00 -1.71 0.00 0.00 55.69 54.13 1vlf s MET 31 Cb -0.20 -3.08 -0.05 0.00 2.01 0.00 0.00 34.83 33.52 1vlf s MET 31 CO 0.59 0.40 0.28 -0.51 -0.01 0.00 0.00 175.02 175.77 1vlf s ASP 32 N -0.01 6.42 0.47 3.03 1.01 -1.26 -0.86 116.67 125.47 1vlf s ASP 32 Ca 0.05 0.48 -0.20 0.00 0.71 0.00 0.00 52.55 53.60 1vlf s ASP 32 Cb -0.12 -2.18 -0.10 0.00 1.01 0.00 0.00 42.92 41.54 1vlf s ASP 32 CO 0.01 0.10 0.98 -0.36 0.21 0.00 0.00 175.17 176.12 1vlf s PHE 33 N 0.47 3.26 -0.45 4.23 2.99 -0.91 -5.00 117.98 122.56 1vlf s PHE 33 Ca 0.16 1.57 -0.10 0.00 0.00 0.00 0.00 56.93 58.56 1vlf s PHE 33 Cb -0.13 -2.89 0.10 0.00 0.00 0.00 0.00 43.02 40.11 1vlf s PHE 33 CO 0.03 -0.35 0.32 0.34 -0.00 0.00 0.00 175.22 175.56 1vlf s ASP 34 N -2.34 5.71 0.03 1.36 -1.08 -1.26 -4.95 116.67 114.13 1vlf s ASP 34 Ca 0.63 -1.74 0.02 0.00 -0.52 0.00 0.00 52.55 50.94 1vlf s ASP 34 Cb -0.11 -2.01 0.09 0.00 -1.46 0.00 0.00 42.92 39.43 1vlf s ASP 34 CO 0.19 -0.64 0.99 0.47 0.52 0.00 0.00 175.17 176.70 1vlf n ASP 35 N 4.93 0.04 0.08 -0.34 8.00 -1.26 0.35 116.55 128.35 1vlf n ASP 35 Ca -0.09 0.45 -0.02 0.00 0.71 0.00 0.00 54.79 55.84 1vlf n ASP 35 Cb 0.42 -0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 1vlf n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vlf h ALA 36 N 1.72 0.57 0.00 2.24 0.00 -2.01 -3.39 119.26 118.39 1vlf h ALA 36 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1vlf h ALA 36 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1vlf h ALA 36 CO 0.00 0.98 -0.50 1.33 0.00 0.00 0.00 179.25 181.06 1vlf n VAL 37 N -3.19 0.00 -3.66 0.00 0.24 0.01 -5.03 118.33 106.70 1vlf n VAL 37 Ca -0.03 -0.14 -0.36 0.00 -2.04 0.00 0.00 64.34 61.78 1vlf n VAL 37 Cb 0.85 0.61 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 1vlf n VAL 37 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1vlf s ASP 38 N -1.28 6.22 0.54 -1.34 1.01 0.16 -4.98 116.67 117.00 1vlf s ASP 38 Ca 0.00 0.24 -0.20 0.00 0.71 0.00 0.00 52.55 53.30 1vlf s ASP 38 Cb 0.00 -2.11 -0.08 0.00 1.01 0.00 0.00 42.92 41.74 1vlf s ASP 38 CO 0.00 0.11 0.86 0.00 0.21 0.00 0.00 175.17 176.35 1vlf n ALA 39 N 3.86 -0.19 -1.55 5.23 0.00 -1.26 -4.57 120.51 122.03 1vlf n ALA 39 Ca -0.15 0.06 -0.36 0.00 0.00 0.00 0.00 53.44 53.00 1vlf n ALA 39 Cb 0.52 -2.02 0.08 0.00 0.00 0.00 0.00 19.45 18.03 1vlf n ALA 39 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vlf n PRO 40 N -0.41 0.84 -2.21 0.00 -0.02 -1.26 -4.96 135.00 126.98 1vlf n PRO 40 Ca 0.12 0.35 -0.27 0.00 -2.02 0.00 0.00 63.50 61.67 1vlf n PRO 40 Cb 0.45 -2.48 0.05 0.00 -0.02 0.00 0.00 33.50 31.50 1vlf n PRO 40 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1vlf s SER 41 N -1.57 5.31 0.87 2.55 0.01 -1.26 -4.19 113.70 115.42 1vlf s SER 41 Ca 0.80 0.75 -0.12 0.00 1.31 0.00 0.00 55.95 58.69 1vlf s SER 41 Cb -0.36 -1.59 0.11 0.00 0.21 0.00 0.00 66.02 64.40 1vlf s SER 41 CO 0.44 -1.30 1.11 -1.66 0.41 0.00 0.00 173.24 172.24 1vlf s TRP 42 N -3.17 2.58 -0.01 2.43 1.48 -1.26 -4.95 118.94 116.04 1vlf s TRP 42 Ca 0.57 1.04 -0.02 0.00 -1.06 0.00 0.00 56.10 56.63 1vlf s TRP 42 Cb -0.11 -3.24 -0.00 0.00 -1.16 0.00 0.00 33.47 28.97 1vlf s TRP 42 CO 0.47 -2.18 0.05 0.15 -4.06 0.00 0.00 176.95 171.37 1vlf s LYS 43 N -5.15 0.16 -0.09 3.25 1.02 -1.26 -4.41 119.74 113.25 1vlf s LYS 43 Ca 0.63 -0.11 0.02 0.00 0.02 0.00 0.00 55.97 56.52 1vlf s LYS 43 Cb -0.15 0.06 0.01 0.00 -0.52 0.00 0.00 37.83 37.23 1vlf s LYS 43 CO 0.55 -0.03 -0.15 0.42 -0.92 0.00 0.00 175.35 175.22 1vlf s ILE 44 N -0.42 1.41 -0.29 2.17 1.01 0.17 -4.96 121.20 120.29 1vlf s ILE 44 Ca -0.05 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 1vlf s ILE 44 Cb -0.03 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1vlf s ILE 44 CO 0.00 0.42 0.16 -1.61 0.00 0.00 0.00 174.94 173.92 1vlf s GLU 45 N 0.84 3.66 -0.10 2.79 8.01 -1.26 0.07 118.70 132.71 1vlf s GLU 45 Ca -0.10 -0.51 -0.05 0.00 0.01 0.00 0.00 54.97 54.32 1vlf s GLU 45 Cb -0.15 -3.59 0.05 0.00 -4.31 0.00 0.00 34.13 26.12 1vlf s GLU 45 CO 0.01 -0.29 0.22 0.00 0.01 0.00 0.00 175.26 175.22 1vlf s ALA 46 N 1.69 -0.50 -1.37 5.21 0.00 -0.19 -4.90 121.76 121.71 1vlf s ALA 46 Ca 0.06 0.93 -0.04 0.00 0.00 0.00 0.00 51.96 52.91 1vlf s ALA 46 Cb -0.16 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.37 1vlf s ALA 46 CO 0.08 -0.20 0.83 0.54 0.00 0.00 0.00 175.76 177.01 1vlf n ARG 47 N 4.26 -5.39 0.00 0.00 1.74 -1.26 -1.62 116.66 114.39 1vlf n ARG 47 Ca -0.25 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 1vlf n ARG 47 Cb 0.53 -5.35 0.00 0.00 -1.02 0.00 0.00 32.46 26.61 1vlf n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vlf n GLY 48 N -1.61 2.11 3.97 -0.13 0.00 -1.26 -4.98 105.19 103.29 1vlf n GLY 48 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 1vlf n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vlf s LYS 49 N 0.00 3.38 -0.18 1.61 1.02 -0.64 -5.10 119.74 119.82 1vlf s LYS 49 Ca 0.00 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.26 1vlf s LYS 49 Cb 0.00 -2.84 0.02 0.00 -0.52 0.00 0.00 37.83 34.49 1vlf s LYS 49 CO 0.00 0.30 -0.19 0.99 -0.92 0.00 0.00 175.35 175.54 1vlf s THR 50 N -2.08 2.19 -0.18 2.17 2.01 -1.26 -1.02 115.64 117.48 1vlf s THR 50 Ca 0.37 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.43 1vlf s THR 50 Cb -0.09 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1vlf s THR 50 CO 0.31 0.53 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.37 1vlf s PHE 51 N 1.24 2.99 -0.02 4.92 0.40 0.11 -4.94 117.98 122.69 1vlf s PHE 51 Ca 0.04 -0.49 -0.02 0.00 -0.60 0.00 0.00 56.93 55.86 1vlf s PHE 51 Cb -0.13 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.39 1vlf s PHE 51 CO -0.11 -0.20 0.05 -0.08 0.70 0.00 0.00 175.22 175.58 1vlf s THR 52 N 0.74 0.01 0.78 0.64 -1.32 -1.26 -0.66 115.64 114.56 1vlf s THR 52 Ca -0.02 -0.06 -0.11 0.00 -1.21 0.00 0.00 61.69 60.29 1vlf s THR 52 Cb -0.14 -0.10 0.06 0.00 -1.51 0.00 0.00 72.50 70.80 1vlf s THR 52 CO 0.02 -0.04 1.08 -2.16 -2.21 0.00 0.00 174.62 171.32 1vlf s PRO 53 N -0.09 2.25 0.49 7.08 0.04 -1.26 -5.02 135.00 138.50 1vlf s PRO 53 Ca -0.01 0.80 -0.23 0.00 0.04 0.00 0.00 61.00 61.60 1vlf s PRO 53 Cb -0.01 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 1vlf s PRO 53 CO 0.00 -1.54 1.25 -2.14 0.04 0.00 0.00 177.00 174.60 1vlf s PRO 54 N -5.07 3.54 -1.28 0.56 0.02 -1.26 -4.88 135.00 126.62 1vlf s PRO 54 Ca 0.60 1.97 -0.08 0.00 0.02 0.00 0.00 61.00 63.51 1vlf s PRO 54 Cb -0.15 -2.37 -0.08 0.00 0.02 0.00 0.00 34.50 31.92 1vlf s PRO 54 CO 0.55 -0.79 2.98 0.54 -0.33 0.00 0.00 177.00 179.95 1vlf n ARG 55 N -0.65 3.52 -3.50 5.54 5.12 -1.26 -4.81 116.66 120.61 1vlf n ARG 55 Ca 0.08 -2.20 -0.09 0.00 -1.93 0.00 0.00 57.85 53.72 1vlf n ARG 55 Cb 0.47 -2.62 -0.02 0.00 -1.16 0.00 0.00 32.46 29.12 1vlf n ARG 55 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1vlf s LYS 56 N 1.36 0.89 0.59 5.56 2.20 -1.26 -2.14 119.74 126.93 1vlf s LYS 56 Ca 0.67 -0.34 0.09 0.00 -0.36 0.00 0.00 55.97 56.03 1vlf s LYS 56 Cb 0.21 0.40 0.09 0.00 -1.51 0.00 0.00 37.83 37.03 1vlf s LYS 56 CO -0.06 -0.39 0.82 0.95 -0.36 0.00 0.00 175.35 176.30 1vlf s THR 57 N -3.20 2.12 0.06 3.43 -4.23 -0.04 -4.99 115.64 108.79 1vlf s THR 57 Ca 0.05 -0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 1vlf s THR 57 Cb -0.01 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 1vlf s THR 57 CO -0.09 0.00 -0.03 -0.94 -0.54 0.00 0.00 174.62 173.02 1vlf s SER 58 N -4.68 0.57 0.15 3.99 1.04 -1.26 -4.38 113.70 109.12 1vlf s SER 58 Ca 0.62 -1.01 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1vlf s SER 58 Cb -0.06 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 1vlf s SER 58 CO 0.40 -0.59 -0.09 0.27 0.98 0.00 0.00 173.24 174.21 1vlf s ILE 59 N -3.88 1.13 0.55 -1.02 -4.36 -1.26 -4.52 121.20 107.83 1vlf s ILE 59 Ca 0.08 -2.05 -0.05 0.00 -0.26 0.00 0.00 60.65 58.37 1vlf s ILE 59 Cb 0.08 -1.88 -0.01 0.00 1.25 0.00 0.00 42.46 41.90 1vlf s ILE 59 CO -0.09 -0.72 0.85 0.00 0.24 0.00 0.00 174.94 175.22 1vlf s ALA 60 N -3.35 3.36 0.22 2.27 0.00 -0.74 -4.42 121.76 119.10 1vlf s ALA 60 Ca 0.17 -0.66 -0.08 0.00 0.00 0.00 0.00 51.96 51.40 1vlf s ALA 60 Cb 0.03 -2.57 0.30 0.00 0.00 0.00 0.00 23.12 20.88 1vlf s ALA 60 CO 0.01 -0.64 1.80 -1.35 0.00 0.00 0.00 175.76 175.58 1vlf h PRO 61 N -0.02 0.66 0.00 0.00 0.11 -1.92 -1.77 132.00 129.06 1vlf h PRO 61 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1vlf h PRO 61 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1vlf h PRO 61 CO 0.61 0.44 0.00 0.10 -0.21 0.00 0.00 178.00 178.93 1vlf h TYR 62 N 0.68 0.00 0.04 0.65 -0.00 -1.91 -1.85 116.97 114.58 1vlf h TYR 62 Ca 0.33 0.00 -0.31 0.00 0.00 0.00 0.00 58.73 58.75 1vlf h TYR 62 Cb 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 36.97 1vlf h TYR 62 CO -0.09 0.00 -1.78 1.15 -0.00 0.00 0.00 178.16 177.45 1vlf h THR 63 N 0.00 0.80 -0.41 -0.90 2.02 -1.68 -3.07 112.91 109.67 1vlf h THR 63 Ca 0.00 -2.61 -0.01 0.00 0.77 0.00 0.00 66.41 64.56 1vlf h THR 63 Cb 0.31 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 1vlf h THR 63 CO 0.00 0.63 0.22 0.00 0.37 0.00 0.00 175.52 176.74 1vlf h ALA 64 N 0.70 1.61 -0.29 6.16 0.00 -0.70 -2.33 119.26 124.42 1vlf h ALA 64 Ca -0.32 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1vlf h ALA 64 Cb 2.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1vlf h ALA 64 CO 0.09 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1vlf n GLY 65 N -1.33 3.92 0.31 0.00 0.00 -1.00 -4.67 105.19 102.43 1vlf n GLY 65 Ca 0.03 -1.02 0.13 0.00 0.00 0.00 0.00 46.02 45.16 1vlf n GLY 65 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1vlf h PHE 66 N 1.98 0.00 -0.65 1.61 3.57 -1.31 -1.87 116.94 120.28 1vlf h PHE 66 Ca 0.00 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1vlf h PHE 66 Cb 1.47 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.17 1vlf h PHE 66 CO 0.54 0.00 0.45 -0.22 -2.23 0.00 0.00 178.31 176.84 1vlf h LYS 67 N 0.00 0.21 0.00 1.11 3.64 -1.83 0.19 116.57 119.89 1vlf h LYS 67 Ca 0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1vlf h LYS 67 Cb 0.34 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1vlf h LYS 67 CO -0.00 0.14 0.00 0.66 -2.27 0.00 0.00 179.45 177.98 1vlf h SER 68 N 0.22 0.00 0.41 4.20 4.64 -1.72 -2.21 113.55 119.08 1vlf h SER 68 Ca 0.31 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.32 1vlf h SER 68 Cb 0.93 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 1vlf h SER 68 CO -0.06 0.00 -1.69 0.24 -0.87 0.00 0.00 176.83 174.45 1vlf h MET 69 N 0.00 0.15 -0.20 4.77 2.86 -0.78 -2.87 114.93 118.87 1vlf h MET 69 Ca 0.00 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1vlf h MET 69 Cb 0.48 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1vlf h MET 69 CO 0.00 0.92 0.04 0.82 1.06 0.00 0.00 176.91 179.75 1vlf h ILE 70 N 0.04 1.22 -0.62 -1.22 2.04 -1.22 -3.01 117.51 114.73 1vlf h ILE 70 Ca -0.29 -0.70 -0.20 0.00 1.00 0.00 0.00 64.86 64.66 1vlf h ILE 70 Cb 2.01 1.30 -0.12 0.00 -0.74 0.00 0.00 36.82 39.27 1vlf h ILE 70 CO 0.11 0.22 0.26 -1.22 0.00 0.00 0.00 178.15 177.52 1vlf n TYR 71 N -4.76 2.04 -2.04 1.37 4.01 -0.85 -4.96 117.16 111.97 1vlf n TYR 71 Ca -0.04 -1.06 -0.39 0.00 -0.16 0.00 0.00 57.90 56.24 1vlf n TYR 71 Cb 0.18 -0.61 -0.00 0.00 -0.31 0.00 0.00 39.34 38.59 1vlf n TYR 71 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1vlf s SER 72 N -0.71 6.23 0.00 7.72 0.15 -1.08 -4.91 113.70 121.09 1vlf s SER 72 Ca 0.44 2.65 0.30 0.00 0.70 0.00 0.00 55.95 60.05 1vlf s SER 72 Cb 0.35 -2.64 1.58 0.00 -1.71 0.00 0.00 66.02 63.60 1vlf s SER 72 CO 0.11 -0.91 2.06 -0.90 1.20 0.00 0.00 173.24 174.80 1vlf n ASP 73 N 0.01 0.18 -1.34 5.45 5.75 -1.26 -2.32 116.55 123.02 1vlf n ASP 73 Ca 0.04 -0.62 0.12 0.00 -0.01 0.00 0.00 54.79 54.32 1vlf n ASP 73 Cb 0.44 -0.12 0.32 0.00 -1.03 0.00 0.00 41.12 40.72 1vlf n ASP 73 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1vlf n LEU 74 N -1.03 3.93 -4.75 -2.12 4.77 -1.26 -4.93 117.00 111.60 1vlf n LEU 74 Ca 0.18 -1.96 -0.41 0.00 -0.03 0.00 0.00 56.01 53.78 1vlf n LEU 74 Cb 0.21 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 1vlf n LEU 74 CO 0.21 0.97 1.02 -0.60 -1.33 0.00 0.00 177.39 177.67 1vlf s ARG 75 N -1.03 4.34 -0.21 3.23 6.06 -0.98 -0.00 118.95 130.35 1vlf s ARG 75 Ca 0.48 2.20 -0.29 0.00 -2.50 0.00 0.00 55.73 55.62 1vlf s ARG 75 Cb 0.25 -3.12 -0.03 0.00 0.06 0.00 0.00 34.95 32.11 1vlf s ARG 75 CO 0.33 -0.28 1.68 0.42 -2.50 0.00 0.00 175.30 174.95 1vlf s ILE 76 N -0.38 3.61 0.23 4.11 1.01 -0.27 -4.72 121.20 124.79 1vlf s ILE 76 Ca 0.55 0.68 -0.03 0.00 0.00 0.00 0.00 60.65 61.85 1vlf s ILE 76 Cb -0.39 -3.62 0.05 0.00 0.01 0.00 0.00 42.46 38.50 1vlf s ILE 76 CO 0.45 -0.26 1.65 -0.65 0.00 0.00 0.00 174.94 176.13 1vlf h PRO 77 N 11.04 0.75 -2.23 2.79 0.11 -1.90 -3.44 132.00 139.12 1vlf h PRO 77 Ca -0.35 -0.29 0.20 0.00 0.11 0.00 0.00 66.00 65.68 1vlf h PRO 77 Cb 1.16 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 1vlf h PRO 77 CO 1.00 0.89 0.58 1.52 -0.21 0.00 0.00 178.00 181.77 1vlf s TYR 78 N -4.63 -0.06 0.36 0.65 -0.85 -1.26 -1.07 117.35 110.49 1vlf s TYR 78 Ca -0.09 -0.23 -0.28 0.00 -0.52 0.00 0.00 57.07 55.95 1vlf s TYR 78 Cb 0.13 0.64 -0.12 0.00 0.38 0.00 0.00 41.96 42.99 1vlf s TYR 78 CO 0.83 -0.75 1.37 -2.30 -1.52 0.00 0.00 175.55 173.18 1vlf n PRO 79 N -0.54 2.34 -4.23 -3.49 -0.02 -1.25 -4.63 135.00 123.17 1vlf n PRO 79 Ca -0.06 0.82 -0.18 0.00 -2.02 0.00 0.00 63.50 62.07 1vlf n PRO 79 Cb 0.61 -2.46 -0.11 0.00 -0.02 0.00 0.00 33.50 31.51 1vlf n PRO 79 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1vlf s MET 80 N -1.97 1.00 -0.01 -0.52 -1.94 -0.52 -1.83 119.30 113.50 1vlf s MET 80 Ca 0.55 -1.22 0.02 0.00 -1.71 0.00 0.00 55.69 53.32 1vlf s MET 80 Cb -0.53 -0.87 0.00 0.00 2.01 0.00 0.00 34.83 35.44 1vlf s MET 80 CO 0.63 0.17 -0.05 0.21 -0.01 0.00 0.00 175.02 175.97 1vlf s LYS 81 N -2.65 0.53 0.04 2.03 2.20 -0.01 -0.75 119.74 121.11 1vlf s LYS 81 Ca 0.08 -0.16 -0.30 0.00 -0.36 0.00 0.00 55.97 55.23 1vlf s LYS 81 Cb -0.05 -0.53 -0.07 0.00 -1.51 0.00 0.00 37.83 35.67 1vlf s LYS 81 CO 0.03 0.06 1.55 0.50 -0.36 0.00 0.00 175.35 177.13 1vlf s ARG 82 N 0.19 4.23 0.23 4.03 3.52 0.06 -1.04 118.95 130.18 1vlf s ARG 82 Ca -0.02 2.18 -0.07 0.00 -0.13 0.00 0.00 55.73 57.69 1vlf s ARG 82 Cb -0.06 -3.60 0.29 0.00 -1.56 0.00 0.00 34.95 30.02 1vlf s ARG 82 CO -0.00 -0.68 1.86 0.87 -0.81 0.00 0.00 175.30 176.54 1vlf h LYS 83 N 8.18 0.94 0.00 5.12 1.57 -1.50 -2.08 116.57 128.80 1vlf h LYS 83 Ca -0.40 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1vlf h LYS 83 Cb 1.19 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1vlf h LYS 83 CO 0.92 0.62 0.00 -1.13 -0.57 0.00 0.00 179.45 179.29 1vlf n SER 84 N -4.62 0.00 -4.41 0.86 3.41 -1.26 -4.71 113.62 102.90 1vlf n SER 84 Ca 0.11 -1.22 -0.38 0.00 -0.26 0.00 0.00 58.87 57.12 1vlf n SER 84 Cb 0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 1vlf n SER 84 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1vlf s PHE 85 N -2.00 3.15 -0.27 7.33 5.36 -0.78 -4.12 117.98 126.65 1vlf s PHE 85 Ca 0.19 -0.68 0.03 0.00 -0.96 0.00 0.00 56.93 55.51 1vlf s PHE 85 Cb 0.09 -2.30 0.07 0.00 -0.34 0.00 0.00 43.02 40.54 1vlf s PHE 85 CO 0.15 -0.48 -0.07 0.34 -1.46 0.00 0.00 175.22 173.70 1vlf s ASP 86 N 1.58 4.42 0.27 6.13 2.15 -0.75 -4.87 116.67 125.59 1vlf s ASP 86 Ca 0.04 -1.51 0.00 0.00 0.43 0.00 0.00 52.55 51.52 1vlf s ASP 86 Cb -0.17 -1.50 0.59 0.00 -0.30 0.00 0.00 42.92 41.54 1vlf s ASP 86 CO 0.04 -0.23 1.74 -0.65 -0.17 0.00 0.00 175.17 175.90 1vlf h PRO 87 N 7.77 0.52 -0.58 4.34 0.11 -1.97 -1.31 132.00 140.89 1vlf h PRO 87 Ca -0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1vlf h PRO 87 Cb 1.04 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1vlf h PRO 87 CO 0.46 0.35 0.00 0.09 -0.21 0.00 0.00 178.00 178.69 1vlf n ASN 88 N -4.93 5.32 0.00 -2.05 4.13 -1.26 -4.94 115.26 111.52 1vlf n ASN 88 Ca 0.18 -2.78 0.00 0.00 1.68 0.00 0.00 54.58 53.67 1vlf n ASN 88 Cb 0.50 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 1vlf n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vlf n GLY 89 N 0.72 4.45 3.64 7.41 0.00 -0.49 -5.10 105.19 115.83 1vlf n GLY 89 Ca 0.27 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1vlf n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vlf s GLU 90 N 4.28 4.08 0.18 1.61 0.41 -1.25 -4.83 118.70 123.19 1vlf s GLU 90 Ca 0.00 1.36 0.25 0.00 -0.41 0.00 0.00 54.97 56.17 1vlf s GLU 90 Cb 0.00 -3.79 0.49 0.00 -1.78 0.00 0.00 34.13 29.05 1vlf s GLU 90 CO 0.00 -0.90 1.49 0.00 -0.49 0.00 0.00 175.26 175.37 1vlf h ARG 91 N 8.53 0.00 -6.86 1.61 3.08 -1.82 -2.00 114.38 116.92 1vlf h ARG 91 Ca -0.24 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.24 1vlf h ARG 91 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1vlf h ARG 91 CO 1.01 0.00 -1.02 0.09 -1.07 0.00 0.00 179.97 178.98 1vlf n ASN 92 N -2.28 -4.36 -0.29 7.04 3.02 -1.26 -4.43 115.26 112.71 1vlf n ASN 92 Ca 0.04 -1.23 0.09 0.00 -0.03 0.00 0.00 54.58 53.45 1vlf n ASN 92 Cb 0.45 -1.80 0.33 0.00 -0.61 0.00 0.00 39.78 38.15 1vlf n ASN 92 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1vlf h PRO 93 N -2.23 0.79 0.00 3.52 0.11 -1.90 -0.94 132.00 131.35 1vlf h PRO 93 Ca -0.70 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.37 1vlf h PRO 93 Cb 1.40 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1vlf h PRO 93 CO 0.49 0.52 0.00 0.00 -0.21 0.00 0.00 178.00 178.80 1vlf n GLN 94 N -4.56 0.11 -0.22 1.05 0.00 -1.25 -2.41 117.38 110.10 1vlf n GLN 94 Ca 0.17 0.22 0.11 0.00 0.00 0.00 0.00 57.00 57.50 1vlf n GLN 94 Cb 0.39 -1.50 0.23 0.00 0.00 0.00 0.00 30.24 29.36 1vlf n GLN 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1vlf n LEU 95 N -1.34 3.52 -4.71 2.61 4.77 -0.36 -4.87 117.00 116.62 1vlf n LEU 95 Ca 0.04 -1.62 -0.42 0.00 -0.03 0.00 0.00 56.01 53.98 1vlf n LEU 95 Cb 0.09 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 1vlf n LEU 95 CO 0.09 0.79 1.02 -0.13 -1.33 0.00 0.00 177.39 177.82 1vlf s ARG 96 N -1.34 4.35 0.00 3.23 0.52 -1.01 -2.10 118.95 122.60 1vlf s ARG 96 Ca 0.39 1.99 0.00 0.00 -0.52 0.00 0.00 55.73 57.60 1vlf s ARG 96 Cb 0.22 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.42 1vlf s ARG 96 CO 0.31 -0.39 0.00 0.41 0.02 0.00 0.00 175.30 175.65 1vlf n GLY 97 N 3.42 0.50 0.27 -3.53 0.00 -1.21 -4.78 105.19 99.86 1vlf n GLY 97 Ca 0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 1vlf n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vlf h ALA 98 N 0.00 0.81 -0.75 4.61 0.00 -1.71 -0.18 119.26 122.05 1vlf h ALA 98 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1vlf h ALA 98 Cb 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 1vlf h ALA 98 CO 0.00 0.34 0.47 0.78 0.00 0.00 0.00 179.25 180.85 1vlf h GLY 99 N 0.87 1.09 1.00 0.00 0.00 -1.83 -1.48 103.07 102.71 1vlf h GLY 99 Ca 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1vlf h GLY 99 CO -0.03 0.30 0.36 -2.00 0.00 0.00 0.00 176.54 175.16 1vlf h LEU 100 N 0.92 0.79 -1.72 3.11 5.85 -1.62 0.55 115.31 123.18 1vlf h LEU 100 Ca 0.30 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1vlf h LEU 100 Cb 0.02 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1vlf h LEU 100 CO -0.11 0.65 0.00 0.28 -0.34 0.00 0.00 178.44 178.91 1vlf h SER 101 N 0.87 0.00 -0.14 1.25 0.02 -0.04 -0.96 113.55 114.54 1vlf h SER 101 Ca 0.23 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 1vlf h SER 101 Cb 0.03 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1vlf h SER 101 CO -0.04 0.00 -0.08 2.29 -1.14 0.00 0.00 176.83 177.86 1vlf n LYS 102 N -2.69 1.93 -3.70 3.45 2.85 -0.66 -4.19 118.16 115.15 1vlf n LYS 102 Ca -0.01 -2.87 -0.28 0.00 -1.05 0.00 0.00 58.31 54.10 1vlf n LYS 102 Cb 0.15 -1.68 0.02 0.00 -0.65 0.00 0.00 35.03 32.87 1vlf n LYS 102 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1vlf n GLN 103 N -1.05 -5.08 -2.96 -1.58 3.00 -0.36 -4.92 117.38 104.42 1vlf n GLN 103 Ca 0.21 0.61 -0.16 0.00 -0.01 0.00 0.00 57.00 57.66 1vlf n GLN 103 Cb 0.80 -5.47 -0.01 0.00 0.00 0.00 0.00 30.24 25.56 1vlf n GLN 103 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1vlf n ASP 104 N -2.69 -1.43 -0.07 1.08 -0.08 0.18 -4.99 116.55 108.56 1vlf n ASP 104 Ca 0.02 -3.01 -0.09 0.00 -1.51 0.00 0.00 54.79 50.20 1vlf n ASP 104 Cb 0.54 0.64 -0.03 0.00 2.34 0.00 0.00 41.12 44.61 1vlf n ASP 104 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1vlf h PRO 105 N 4.01 -0.29 -0.21 -0.67 0.11 -1.89 -2.66 132.00 130.40 1vlf h PRO 105 Ca -0.04 0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.15 1vlf h PRO 105 Cb 0.96 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1vlf h PRO 105 CO 0.39 -0.20 0.15 -1.49 -0.21 0.00 0.00 178.00 176.65 1vlf h TRP 106 N -0.31 0.00 0.00 0.65 4.06 -1.96 -2.34 115.95 116.05 1vlf h TRP 106 Ca 0.14 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.09 1vlf h TRP 106 Cb 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.70 1vlf h TRP 106 CO -0.49 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 175.05 1vlf h SER 107 N 0.00 0.00 1.46 -3.49 4.64 -1.86 -1.68 113.55 112.63 1vlf h SER 107 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1vlf h SER 107 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1vlf h SER 107 CO -0.00 0.00 -0.01 0.47 -0.87 0.00 0.00 176.83 176.42 1vlf n ASP 108 N -2.34 0.80 -4.51 4.97 9.92 -0.88 -4.91 116.55 119.60 1vlf n ASP 108 Ca -0.00 0.57 -0.25 0.00 -0.53 0.00 0.00 54.79 54.58 1vlf n ASP 108 Cb 0.11 -0.78 -0.10 0.00 -0.64 0.00 0.00 41.12 39.71 1vlf n ASP 108 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1vlf s TYR 109 N -3.10 2.40 0.06 1.24 1.51 -0.63 -1.23 117.35 117.60 1vlf s TYR 109 Ca 0.11 -0.30 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 1vlf s TYR 109 Cb 0.12 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 1vlf s TYR 109 CO 0.60 0.64 -0.12 -1.83 -1.11 0.00 0.00 175.55 173.74 1vlf s GLU 110 N -3.34 0.70 0.32 -0.62 -1.05 -0.20 -4.87 118.70 109.63 1vlf s GLU 110 Ca 0.28 -0.87 -0.28 0.00 -0.15 0.00 0.00 54.97 53.96 1vlf s GLU 110 Cb -0.06 -0.61 -0.09 0.00 -0.44 0.00 0.00 34.13 32.93 1vlf s GLU 110 CO 0.15 0.13 1.08 0.50 0.95 0.00 0.00 175.26 178.07 1vlf s ARG 111 N -1.66 4.46 0.06 -4.83 3.52 -1.26 -0.83 118.95 118.41 1vlf s ARG 111 Ca -0.05 1.71 -0.05 0.00 -0.13 0.00 0.00 55.73 57.21 1vlf s ARG 111 Cb -0.10 -2.96 -0.02 0.00 -1.56 0.00 0.00 34.95 30.31 1vlf s ARG 111 CO 0.01 0.08 0.09 0.96 -0.81 0.00 0.00 175.30 175.63 1vlf s ILE 112 N -1.33 0.16 0.69 4.11 -4.36 -0.76 -4.87 121.20 114.84 1vlf s ILE 112 Ca 0.49 -1.34 -0.11 0.00 -0.26 0.00 0.00 60.65 59.43 1vlf s ILE 112 Cb -0.29 -1.23 0.00 0.00 1.25 0.00 0.00 42.46 42.20 1vlf s ILE 112 CO 0.37 -0.74 1.06 -0.94 0.24 0.00 0.00 174.94 174.92 1vlf s SER 113 N -2.60 5.50 0.19 4.36 1.04 -1.26 -3.89 113.70 117.03 1vlf s SER 113 Ca 0.02 1.51 -0.10 0.00 0.48 0.00 0.00 55.95 57.85 1vlf s SER 113 Cb 0.04 -2.41 0.11 0.00 0.10 0.00 0.00 66.02 63.86 1vlf s SER 113 CO -0.08 -1.35 1.77 -0.50 0.98 0.00 0.00 173.24 174.05 1vlf h TRP 114 N -0.66 1.01 -0.52 5.02 4.06 -1.97 -0.21 115.95 122.68 1vlf h TRP 114 Ca -0.44 -0.06 0.03 0.00 2.06 0.00 0.00 58.89 60.48 1vlf h TRP 114 Cb 1.21 -0.31 -0.04 0.00 -1.00 0.00 0.00 29.16 29.03 1vlf h TRP 114 CO 0.61 0.77 0.30 0.22 -3.56 0.00 0.00 178.44 176.77 1vlf h ASP 115 N 0.96 0.47 0.10 -3.49 3.58 -1.99 -0.91 116.42 115.14 1vlf h ASP 115 Ca 0.23 0.01 -0.20 0.00 0.42 0.00 0.00 57.03 57.50 1vlf h ASP 115 Cb 0.16 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1vlf h ASP 115 CO -0.02 0.33 -0.73 -0.08 -2.88 0.00 0.00 179.24 175.85 1vlf h GLU 116 N 0.59 0.55 0.01 0.28 4.81 -1.88 -1.92 114.58 117.02 1vlf h GLU 116 Ca 0.22 -0.44 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1vlf h GLU 116 Cb 0.06 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1vlf h GLU 116 CO -0.11 1.07 -0.00 0.00 -0.73 0.00 0.00 179.01 179.23 1vlf h ALA 117 N 0.81 -0.01 -0.34 2.92 0.00 -0.76 -1.46 119.26 120.42 1vlf h ALA 117 Ca -0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1vlf h ALA 117 Cb 1.32 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1vlf h ALA 117 CO 0.14 -0.44 -0.12 1.79 0.00 0.00 0.00 179.25 180.62 1vlf h THR 118 N -0.13 1.24 -0.68 0.00 1.35 -1.23 -1.83 112.91 111.64 1vlf h THR 118 Ca -0.00 -1.07 -0.02 0.00 -0.55 0.00 0.00 66.41 64.77 1vlf h THR 118 Cb 0.13 1.11 -0.03 0.00 -1.73 0.00 0.00 68.15 67.63 1vlf h THR 118 CO 0.00 0.35 0.35 0.44 -0.25 0.00 0.00 175.52 176.42 1vlf h ASP 119 N 0.54 0.86 -0.44 5.36 3.32 -1.14 0.10 116.42 125.02 1vlf h ASP 119 Ca 0.10 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1vlf h ASP 119 Cb 0.52 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1vlf h ASP 119 CO 0.03 0.73 0.16 0.40 -1.72 0.00 0.00 179.24 178.84 1vlf h ILE 120 N 0.93 1.21 -0.43 0.35 2.04 -0.90 -1.21 117.51 119.51 1vlf h ILE 120 Ca 0.24 -0.68 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 1vlf h ILE 120 Cb 0.07 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1vlf h ILE 120 CO -0.03 0.25 0.01 0.58 0.00 0.00 0.00 178.15 178.96 1vlf h VAL 121 N 0.57 1.26 -0.68 1.67 2.07 -1.05 -2.51 116.25 117.57 1vlf h VAL 121 Ca 0.14 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1vlf h VAL 121 Cb 0.23 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1vlf h VAL 121 CO -0.01 0.34 0.33 0.58 0.02 0.00 0.00 177.57 178.84 1vlf h VAL 122 N 0.59 1.22 -0.76 2.57 2.07 -0.67 -0.71 116.25 120.56 1vlf h VAL 122 Ca 0.12 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1vlf h VAL 122 Cb 0.47 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1vlf h VAL 122 CO 0.02 0.26 0.32 0.00 0.02 0.00 0.00 177.57 178.18 1vlf h ALA 123 N 1.40 0.99 -0.29 1.67 0.00 -1.01 -1.49 119.26 120.52 1vlf h ALA 123 Ca 0.24 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1vlf h ALA 123 Cb 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1vlf h ALA 123 CO -0.03 0.60 -0.25 0.93 0.00 0.00 0.00 179.25 180.50 1vlf h GLU 124 N 1.09 0.68 0.26 0.00 4.39 -1.00 -2.23 114.58 117.78 1vlf h GLU 124 Ca 0.25 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1vlf h GLU 124 Cb 0.20 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1vlf h GLU 124 CO -0.02 0.95 -0.26 0.82 -1.16 0.00 0.00 179.01 179.34 1vlf h ILE 125 N 0.43 0.44 -0.81 3.13 2.04 -0.93 -1.37 117.51 120.44 1vlf h ILE 125 Ca 0.05 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 1vlf h ILE 125 Cb 0.81 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1vlf h ILE 125 CO 0.06 0.00 0.34 0.78 0.00 0.00 0.00 178.15 179.33 1vlf h ASN 126 N -0.56 1.10 -0.13 1.72 2.35 -1.32 -0.89 115.58 117.84 1vlf h ASN 126 Ca -0.01 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1vlf h ASN 126 Cb 0.51 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1vlf h ASN 126 CO -0.06 0.96 0.06 -0.09 -1.65 0.00 0.00 177.43 176.66 1vlf h ARG 127 N 1.17 0.20 -0.63 0.81 2.43 -1.28 -2.32 114.38 114.75 1vlf h ARG 127 Ca 0.27 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 1vlf h ARG 127 Cb 0.19 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1vlf h ARG 127 CO -0.03 0.26 0.13 0.82 -1.51 0.00 0.00 179.97 179.64 1vlf h ILE 128 N 0.08 1.26 -0.43 1.20 2.04 -1.10 -1.80 117.51 118.77 1vlf h ILE 128 Ca 0.05 -0.97 -0.07 0.00 1.00 0.00 0.00 64.86 64.87 1vlf h ILE 128 Cb 0.13 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1vlf h ILE 128 CO -0.01 0.36 -0.01 0.11 0.00 0.00 0.00 178.15 178.61 1vlf h LYS 129 N 0.94 0.69 0.00 2.37 1.57 -1.09 0.39 116.57 121.43 1vlf h LYS 129 Ca 0.19 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1vlf h LYS 129 Cb 0.39 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1vlf h LYS 129 CO 0.01 0.71 -0.08 0.45 -0.57 0.00 0.00 179.45 179.97 1vlf h HIS 130 N 0.65 0.00 0.00 -1.35 3.86 -1.27 -1.44 115.15 115.61 1vlf h HIS 130 Ca 0.13 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.97 1vlf h HIS 130 Cb 0.42 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.82 1vlf h HIS 130 CO 0.02 0.00 -2.40 0.00 0.86 0.00 0.00 177.93 176.41 1vlf n ALA 131 N -2.01 1.49 0.00 2.45 0.00 -0.69 -4.79 120.51 116.95 1vlf n ALA 131 Ca 0.04 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1vlf n ALA 131 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1vlf n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1vlf n TYR 132 N -2.93 0.00 0.00 0.00 4.01 0.13 -5.08 117.16 113.28 1vlf n TYR 132 Ca -0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 1vlf n TYR 132 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.12 1vlf n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vlf n GLY 133 N 1.72 1.84 0.37 2.72 0.00 -0.54 -4.58 105.19 106.73 1vlf n GLY 133 Ca 0.00 -1.98 0.15 0.00 0.00 0.00 0.00 46.02 44.19 1vlf n GLY 133 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1vlf h PRO 134 N 0.00 0.36 0.00 1.61 0.11 -1.86 -1.99 132.00 130.23 1vlf h PRO 134 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1vlf h PRO 134 Cb 0.00 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 1vlf h PRO 134 CO 0.00 0.24 -0.01 0.66 -0.21 0.00 0.00 178.00 178.67 1vlf h SER 135 N 0.37 0.00 0.67 -2.05 4.64 -1.86 -1.64 113.55 113.68 1vlf h SER 135 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1vlf h SER 135 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1vlf h SER 135 CO -0.09 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 1vlf n ALA 136 N -2.11 2.03 -2.78 5.18 0.00 -0.75 -4.13 120.51 117.95 1vlf n ALA 136 Ca -0.02 -0.08 -0.44 0.00 0.00 0.00 0.00 53.44 52.90 1vlf n ALA 136 Cb 0.16 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.18 1vlf n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vlf s ILE 137 N -2.90 5.13 0.16 0.00 1.01 -0.62 -0.97 121.20 123.00 1vlf s ILE 137 Ca 0.13 -0.82 -0.18 0.00 0.00 0.00 0.00 60.65 59.78 1vlf s ILE 137 Cb 0.14 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.39 1vlf s ILE 137 CO 0.38 -0.61 0.62 -0.22 0.00 0.00 0.00 174.94 175.12 1vlf s LEU 138 N 1.95 4.39 0.01 2.97 2.96 0.67 0.14 118.68 131.77 1vlf s LEU 138 Ca 0.08 1.26 -0.22 0.00 -0.22 0.00 0.00 54.13 55.03 1vlf s LEU 138 Cb -0.22 -3.29 0.05 0.00 0.50 0.00 0.00 46.19 43.22 1vlf s LEU 138 CO 0.09 0.12 0.50 -0.55 -1.32 0.00 0.00 176.35 175.19 1vlf s SER 139 N -1.53 -0.42 -0.29 3.68 0.15 -0.39 0.01 113.70 114.90 1vlf s SER 139 Ca 0.37 0.25 -0.18 0.00 0.70 0.00 0.00 55.95 57.10 1vlf s SER 139 Cb -0.17 0.46 0.17 0.00 -1.71 0.00 0.00 66.02 64.77 1vlf s SER 139 CO 0.20 -0.64 1.16 0.28 1.20 0.00 0.00 173.24 175.44 1vlf s THR 140 N -1.96 0.00 0.00 6.45 -1.32 -1.15 -1.99 115.64 115.67 1vlf s THR 140 Ca -0.08 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1vlf s THR 140 Cb -0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 1vlf s THR 140 CO 0.02 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.62 1vlf n PRO 141 N 3.00 2.68 -4.01 7.08 -0.04 -1.26 -2.60 135.00 139.85 1vlf n PRO 141 Ca -0.16 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.13 1vlf n PRO 141 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 1vlf n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vlf n SER 142 N 0.00 -0.91 -0.10 3.54 2.88 -1.26 -4.80 113.62 112.98 1vlf n SER 142 Ca 0.00 -2.97 -0.06 0.00 -1.33 0.00 0.00 58.87 54.52 1vlf n SER 142 Cb 0.00 1.91 0.01 0.00 -0.75 0.00 0.00 64.21 65.38 1vlf n SER 142 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1vlf h SER 143 N 1.91 -0.14 -1.56 -3.46 0.02 -1.99 -3.45 113.55 104.88 1vlf h SER 143 Ca -0.24 0.08 -0.49 0.00 -0.84 0.00 0.00 61.79 60.30 1vlf h SER 143 Cb 1.13 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.78 1vlf h SER 143 CO 0.33 -0.03 -0.39 -1.00 -1.14 0.00 0.00 176.83 174.60 1vlf s HIS 144 N -6.18 2.73 0.19 3.45 3.76 -1.26 -5.10 115.29 112.88 1vlf s HIS 144 Ca -0.13 -0.47 -0.21 0.00 -0.15 0.00 0.00 55.06 54.09 1vlf s HIS 144 Cb 0.13 -2.12 0.05 0.00 1.11 0.00 0.00 32.58 31.75 1vlf s HIS 144 CO 0.70 -0.08 0.60 -1.58 -0.85 0.00 0.00 174.74 173.54 1vlf s HIS 145 N -2.45 -0.39 0.40 1.40 5.04 -1.26 -5.06 115.29 112.98 1vlf s HIS 145 Ca 0.47 0.10 -0.26 0.00 -1.54 0.00 0.00 55.06 53.83 1vlf s HIS 145 Cb -0.03 0.55 -0.10 0.00 0.04 0.00 0.00 32.58 33.04 1vlf s HIS 145 CO 0.28 -0.93 1.32 -1.33 -2.34 0.00 0.00 174.74 171.73 1vlf n MET 146 N -0.38 2.09 -1.98 2.88 2.81 -1.26 -4.84 117.12 116.44 1vlf n MET 146 Ca -0.13 0.74 -0.38 0.00 -1.81 0.00 0.00 57.70 56.11 1vlf n MET 146 Cb 0.63 -2.43 0.02 0.00 -0.71 0.00 0.00 33.22 30.73 1vlf n MET 146 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 1vlf s TRP 147 N -1.17 2.58 0.00 2.03 -0.11 -1.26 -4.75 118.94 116.25 1vlf s TRP 147 Ca 0.59 1.42 0.00 0.00 1.22 0.00 0.00 56.10 59.33 1vlf s TRP 147 Cb -0.51 -3.66 0.00 0.00 -1.50 0.00 0.00 33.47 27.80 1vlf s TRP 147 CO 0.59 -2.34 0.00 0.41 -4.62 0.00 0.00 176.95 171.00 1vlf n GLY 148 N 0.62 3.36 0.12 5.86 0.00 -1.26 -4.76 105.19 109.13 1vlf n GLY 148 Ca 0.08 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1vlf n GLY 148 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1vlf h ASN 149 N 0.00 0.26 -0.04 1.61 4.21 -1.53 -1.28 115.58 118.81 1vlf h ASN 149 Ca 0.00 -0.01 -0.12 0.00 1.21 0.00 0.00 56.30 57.38 1vlf h ASN 149 Cb 0.00 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 1vlf h ASN 149 CO 0.00 0.19 -0.34 0.58 -1.29 0.00 0.00 177.43 176.57 1vlf h VAL 150 N 0.30 1.29 -0.00 2.81 2.07 -1.95 -3.09 116.25 117.68 1vlf h VAL 150 Ca 0.08 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1vlf h VAL 150 Cb -0.03 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1vlf h VAL 150 CO -0.02 0.46 -0.28 0.61 0.02 0.00 0.00 177.57 178.36 1vlf n GLY 151 N -0.17 -0.87 3.70 2.17 0.00 -1.19 -3.14 105.19 105.70 1vlf n GLY 151 Ca -0.01 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 1vlf n GLY 151 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1vlf n TYR 152 N -0.95 1.41 -0.01 1.61 9.36 -0.49 -4.46 117.16 123.63 1vlf n TYR 152 Ca 0.11 0.41 0.12 0.00 3.32 0.00 0.00 57.90 61.86 1vlf n TYR 152 Cb 0.33 -2.15 0.55 0.00 -0.63 0.00 0.00 39.34 37.44 1vlf n TYR 152 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1vlf h ARG 153 N -0.43 0.27 0.00 2.98 0.11 -1.90 0.14 114.38 115.55 1vlf h ARG 153 Ca -0.48 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.59 1vlf h ARG 153 Cb 1.31 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1vlf h ARG 153 CO 0.48 0.18 0.00 0.72 0.10 0.00 0.00 179.97 181.45 1vlf n HIS 154 N -4.46 0.83 0.00 4.08 8.25 -1.26 -2.40 115.22 120.26 1vlf n HIS 154 Ca 0.07 0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 1vlf n HIS 154 Cb 0.35 -1.02 0.00 0.00 1.12 0.00 0.00 29.99 30.44 1vlf n HIS 154 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1vlf n SER 155 N -2.25 0.00 -0.04 0.41 2.88 0.40 -4.50 113.62 110.51 1vlf n SER 155 Ca 0.02 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.44 1vlf n SER 155 Cb 0.24 -0.12 -0.07 0.00 -0.75 0.00 0.00 64.21 63.51 1vlf n SER 155 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1vlf h THR 156 N 0.00 1.31 0.09 2.46 2.02 -1.25 -2.28 112.91 115.26 1vlf h THR 156 Ca 0.00 -1.04 0.02 0.00 0.77 0.00 0.00 66.41 66.16 1vlf h THR 156 Cb 0.00 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1vlf h THR 156 CO 0.00 0.30 -0.21 0.22 0.37 0.00 0.00 175.52 176.20 1vlf h TYR 157 N -0.10 -0.56 -0.63 3.16 3.20 -1.68 -2.65 116.97 117.71 1vlf h TYR 157 Ca 0.03 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1vlf h TYR 157 Cb 0.49 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 1vlf h TYR 157 CO 0.06 -0.31 0.22 0.74 -1.64 0.00 0.00 178.16 177.24 1vlf h PHE 158 N -0.39 0.99 -0.95 -3.82 0.05 -1.56 -1.00 116.94 110.27 1vlf h PHE 158 Ca 0.03 -0.09 0.10 0.00 3.82 0.00 0.00 57.97 61.83 1vlf h PHE 158 Cb 0.42 -0.29 -0.08 0.00 2.00 0.00 0.00 35.95 38.00 1vlf h PHE 158 CO -0.22 0.80 0.59 -0.09 -0.18 0.00 0.00 178.31 179.22 1vlf h ARG 159 N 0.90 0.97 0.00 1.51 2.43 -1.22 -0.67 114.38 118.30 1vlf h ARG 159 Ca 0.21 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1vlf h ARG 159 Cb 0.25 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1vlf h ARG 159 CO -0.01 0.64 -0.00 0.35 -1.51 0.00 0.00 179.97 179.44 1vlf h PHE 160 N 1.00 -0.00 -0.64 2.20 3.57 -1.32 -3.30 116.94 118.44 1vlf h PHE 160 Ca 0.45 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.99 1vlf h PHE 160 Cb 0.35 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1vlf h PHE 160 CO -0.02 0.92 0.42 0.52 -2.23 0.00 0.00 178.31 177.93 1vlf h MET 161 N -0.97 0.72 0.00 1.11 2.86 -1.09 -0.82 114.93 116.74 1vlf h MET 161 Ca -0.00 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1vlf h MET 161 Cb 0.93 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 1vlf h MET 161 CO 0.00 0.48 -0.14 -0.91 1.06 0.00 0.00 176.91 177.40 1vlf h ASN 162 N 0.74 0.00 0.26 1.22 -0.26 -1.26 0.45 115.58 116.73 1vlf h ASN 162 Ca 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.00 1vlf h ASN 162 Cb 0.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 1vlf h ASN 162 CO -0.07 0.14 -0.44 0.23 -1.06 0.00 0.00 177.43 176.22 1vlf n MET 163 N -3.73 0.54 -0.04 0.81 2.81 -0.38 -4.60 117.12 112.52 1vlf n MET 163 Ca -0.02 -0.35 -0.08 0.00 -1.81 0.00 0.00 57.70 55.44 1vlf n MET 163 Cb 0.25 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.24 1vlf n MET 163 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1vlf n MET 164 N -0.92 0.32 0.00 0.03 0.00 -0.44 -5.11 117.12 110.99 1vlf n MET 164 Ca 0.09 0.13 0.00 0.00 -0.00 0.00 0.00 57.70 57.92 1vlf n MET 164 Cb 0.36 -1.05 0.00 0.00 0.00 0.00 0.00 33.22 32.52 1vlf n MET 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vlf n GLY 165 N 2.23 2.16 3.61 -5.12 0.00 0.02 -4.91 105.19 103.17 1vlf n GLY 165 Ca -0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1vlf n GLY 165 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1vlf s PHE 166 N 3.94 -0.06 -0.30 1.61 -0.12 -1.25 -4.81 117.98 116.99 1vlf s PHE 166 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 56.93 56.77 1vlf s PHE 166 Cb 0.00 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1vlf s PHE 166 CO 0.00 -0.17 0.20 0.99 -0.05 0.00 0.00 175.22 176.19 1vlf s THR 167 N -2.30 5.27 -0.02 -4.49 2.01 0.12 -4.43 115.64 111.80 1vlf s THR 167 Ca 0.12 0.02 -0.19 0.00 0.31 0.00 0.00 61.69 61.96 1vlf s THR 167 Cb 0.02 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 1vlf s THR 167 CO -0.04 0.16 0.54 -0.47 -0.69 0.00 0.00 174.62 174.12 1vlf s TYR 168 N 1.74 3.67 -1.04 4.92 5.04 -1.26 -1.26 117.35 129.16 1vlf s TYR 168 Ca 0.07 1.11 -0.17 0.00 -2.44 0.00 0.00 57.07 55.64 1vlf s TYR 168 Cb -0.16 -2.54 0.14 0.00 0.35 0.00 0.00 41.96 39.75 1vlf s TYR 168 CO 0.11 0.38 1.26 0.00 -1.34 0.00 0.00 175.55 175.96 1vlf s ALA 169 N -0.26 3.58 0.34 3.97 0.00 -0.84 -2.22 121.76 126.34 1vlf s ALA 169 Ca 0.29 -2.98 -0.29 0.00 0.00 0.00 0.00 51.96 48.98 1vlf s ALA 169 Cb -0.17 -4.10 -0.12 0.00 0.00 0.00 0.00 23.12 18.73 1vlf s ALA 169 CO 0.15 -2.93 1.47 -3.47 0.00 0.00 0.00 175.76 170.98 1vlf n ASP 170 N 6.31 3.55 -4.73 0.00 -0.08 -0.52 -4.33 116.55 116.75 1vlf n ASP 170 Ca 0.29 1.20 -0.41 0.00 -1.51 0.00 0.00 54.79 54.36 1vlf n ASP 170 Cb 0.47 -1.58 -0.04 0.00 2.34 0.00 0.00 41.12 42.31 1vlf n ASP 170 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1vlf s HIS 171 N -0.80 3.53 0.59 -0.67 3.76 -1.26 -1.68 115.29 118.76 1vlf s HIS 171 Ca 0.57 1.50 -0.17 0.00 -0.15 0.00 0.00 55.06 56.81 1vlf s HIS 171 Cb -0.51 -3.32 -0.03 0.00 1.11 0.00 0.00 32.58 29.82 1vlf s HIS 171 CO 0.59 -0.83 1.10 0.54 -0.85 0.00 0.00 174.74 175.30 1vlf s ASN 172 N 0.29 5.54 -1.28 1.40 4.22 -1.26 -3.49 114.94 120.36 1vlf s ASN 172 Ca 0.52 2.03 -0.11 0.00 -2.14 0.00 0.00 52.86 53.16 1vlf s ASN 172 Cb -0.29 -2.56 -0.06 0.00 1.28 0.00 0.00 41.25 39.62 1vlf s ASN 172 CO 0.33 -1.34 2.44 -0.81 -2.04 0.00 0.00 177.10 175.68 1vlf n PRO 173 N -1.84 2.79 -0.34 3.55 -0.04 -1.26 -4.74 135.00 133.11 1vlf n PRO 173 Ca 0.10 -2.02 -0.06 0.00 -0.04 0.00 0.00 63.50 61.48 1vlf n PRO 173 Cb 0.52 -2.81 -0.03 0.00 -0.04 0.00 0.00 33.50 31.14 1vlf n PRO 173 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1vlf h ASP 174 N 5.95 -1.69 -0.92 3.54 3.04 -1.98 0.28 116.42 124.64 1vlf h ASP 174 Ca 0.65 0.30 0.10 0.00 -3.24 0.00 0.00 57.03 54.84 1vlf h ASP 174 Cb 0.37 0.80 -0.07 0.00 -1.04 0.00 0.00 39.33 39.39 1vlf h ASP 174 CO 1.73 -0.28 0.59 0.28 -2.04 0.00 0.00 179.24 179.52 1vlf h SER 175 N -0.07 0.82 -0.00 4.15 0.02 -2.00 -3.16 113.55 113.31 1vlf h SER 175 Ca 0.24 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1vlf h SER 175 Cb 0.53 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1vlf h SER 175 CO -0.89 0.47 -0.90 0.79 -1.14 0.00 0.00 176.83 175.16 1vlf n TRP 176 N -4.54 0.00 0.00 3.45 8.01 -0.20 -4.57 117.44 119.59 1vlf n TRP 176 Ca 0.16 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.35 1vlf n TRP 176 Cb 0.32 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.62 1vlf n TRP 176 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1vlf n GLU 177 N -1.30 0.00 -0.15 -0.99 -0.58 0.81 0.64 120.64 119.07 1vlf n GLU 177 Ca 0.05 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.88 1vlf n GLU 177 Cb 0.34 0.00 0.42 0.00 -0.57 0.00 0.00 31.44 31.63 1vlf n GLU 177 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1vlf h GLY 178 N 0.00 0.83 1.46 0.62 0.00 -0.05 0.66 103.07 106.59 1vlf h GLY 178 Ca 0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 47.33 46.86 1vlf h GLY 178 CO 0.00 0.15 -0.91 1.49 0.00 0.00 0.00 176.54 177.27 1vlf h TRP 179 N 0.60 0.72 0.26 5.60 4.06 -0.06 -1.40 115.95 125.73 1vlf h TRP 179 Ca 0.32 -0.37 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 1vlf h TRP 179 Cb 0.44 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.52 1vlf h TRP 179 CO -0.00 1.18 -0.12 1.25 -3.56 0.00 0.00 178.44 177.19 1vlf h HIS 180 N 0.29 -0.32 0.00 0.49 2.76 -0.29 0.18 115.15 118.27 1vlf h HIS 180 Ca -0.08 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 1vlf h HIS 180 Cb 1.54 0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.61 1vlf h HIS 180 CO 0.07 0.01 0.00 -1.49 -1.30 0.00 0.00 177.93 175.22 1vlf h TRP 181 N -0.96 0.00 0.00 5.26 4.06 -1.05 -3.36 115.95 119.90 1vlf h TRP 181 Ca -0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.91 1vlf h TRP 181 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 1vlf h TRP 181 CO 0.05 0.00 -0.24 0.41 -3.56 0.00 0.00 178.44 175.10 1vlf n GLY 182 N 1.28 -0.06 0.37 1.49 0.00 -0.74 -4.82 105.19 102.71 1vlf n GLY 182 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1vlf n GLY 182 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vlf h GLY 183 N 0.00 1.48 0.15 -0.02 0.00 -0.56 -2.67 103.07 101.45 1vlf h GLY 183 Ca 0.00 -0.45 0.19 0.00 0.00 0.00 0.00 47.33 47.06 1vlf h GLY 183 CO 0.00 0.31 0.61 1.98 0.00 0.00 0.00 176.54 179.44 1vlf h MET 184 N 1.11 0.76 0.00 4.80 -1.53 -0.82 0.88 114.93 120.13 1vlf h MET 184 Ca 0.43 -0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.62 1vlf h MET 184 Cb 0.22 -0.17 -0.00 0.00 -0.55 0.00 0.00 31.60 31.10 1vlf h MET 184 CO -0.18 0.50 -0.13 0.45 0.14 0.00 0.00 176.91 177.69 1vlf h HIS 185 N 0.78 0.00 0.14 1.39 3.86 -1.76 0.19 115.15 119.75 1vlf h HIS 185 Ca 0.57 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 59.43 1vlf h HIS 185 Cb 0.87 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.33 1vlf h HIS 185 CO -0.01 0.13 -1.89 1.98 0.86 0.00 0.00 177.93 179.01 1vlf h MET 186 N 0.00 0.29 0.00 2.45 -1.53 -0.92 -3.42 114.93 111.79 1vlf h MET 186 Ca -0.00 -0.49 0.00 0.00 -3.44 0.00 0.00 59.70 55.77 1vlf h MET 186 Cb 0.64 0.18 0.00 0.00 -0.55 0.00 0.00 31.60 31.87 1vlf h MET 186 CO 0.02 1.20 0.00 -2.67 0.14 0.00 0.00 176.91 175.59 1vlf n TRP 187 N -3.49 0.00 0.00 1.39 4.27 -0.62 -0.18 117.44 118.81 1vlf n TRP 187 Ca -0.28 -0.06 0.00 0.00 -3.89 0.00 0.00 57.50 53.26 1vlf n TRP 187 Cb 1.06 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 31.00 1vlf n TRP 187 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1vlf n GLY 188 N -0.06 0.95 3.17 -1.67 0.00 0.66 -4.38 105.19 103.85 1vlf n GLY 188 Ca 0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 1vlf n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vlf n PHE 189 N 10.52 -1.94 -0.36 1.61 3.01 -1.26 -4.21 117.46 124.83 1vlf n PHE 189 Ca 0.00 0.52 0.03 0.00 1.01 0.00 0.00 57.45 59.01 1vlf n PHE 189 Cb 0.00 -3.95 0.19 0.00 -0.01 0.00 0.00 39.48 35.71 1vlf n PHE 189 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1vlf h SER 190 N -1.28 1.01 0.21 4.37 4.64 -1.90 0.89 113.55 121.49 1vlf h SER 190 Ca -0.50 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1vlf h SER 190 Cb 1.34 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1vlf h SER 190 CO 0.56 0.64 0.00 -2.67 -0.87 0.00 0.00 176.83 174.48 1vlf n TRP 191 N -4.51 0.78 -0.40 4.77 2.14 -1.11 0.18 117.44 119.30 1vlf n TRP 191 Ca 0.16 0.38 0.06 0.00 2.07 0.00 0.00 57.50 60.17 1vlf n TRP 191 Cb 0.21 -1.11 0.17 0.00 -0.81 0.00 0.00 31.31 29.77 1vlf n TRP 191 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1vlf n ARG 192 N -2.28 2.86 -2.97 -2.67 1.74 0.11 -4.33 116.66 109.12 1vlf n ARG 192 Ca -0.01 -2.22 -0.22 0.00 -0.77 0.00 0.00 57.85 54.63 1vlf n ARG 192 Cb 0.09 -1.40 0.02 0.00 -1.02 0.00 0.00 32.46 30.15 1vlf n ARG 192 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1vlf n LEU 193 N 0.11 -2.25 0.00 0.55 4.77 0.13 -2.35 117.00 117.96 1vlf n LEU 193 Ca 0.13 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1vlf n LEU 193 Cb 0.54 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.89 1vlf n LEU 193 CO 0.09 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1vlf n GLY 194 N -1.34 2.31 3.83 -0.72 0.00 -0.09 -2.54 105.19 106.65 1vlf n GLY 194 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1vlf n GLY 194 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vlf s ASN 195 N -1.35 6.42 0.49 1.61 0.01 -0.99 -4.68 114.94 116.45 1vlf s ASN 195 Ca 0.00 1.63 -0.05 0.00 -0.71 0.00 0.00 52.86 53.73 1vlf s ASN 195 Cb 0.00 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 1vlf s ASN 195 CO 0.00 -0.73 0.78 -2.16 -1.51 0.00 0.00 177.10 173.49 1vlf s PRO 196 N -4.09 3.48 0.72 -0.60 0.04 -1.26 -4.71 135.00 128.58 1vlf s PRO 196 Ca 0.60 0.15 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 1vlf s PRO 196 Cb -0.11 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 32.07 1vlf s PRO 196 CO 0.33 -0.24 1.07 -1.83 0.04 0.00 0.00 177.00 176.37 1vlf s GLU 197 N -4.74 2.75 0.00 4.56 -1.05 -1.26 -4.92 118.70 114.04 1vlf s GLU 197 Ca 0.48 0.91 0.00 0.00 -0.15 0.00 0.00 54.97 56.20 1vlf s GLU 197 Cb -0.10 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.61 1vlf s GLU 197 CO 0.44 -1.22 0.58 1.04 0.95 0.00 0.00 175.26 177.06 1vlf n GLN 198 N -3.20 0.60 -1.53 -4.83 1.13 -1.26 -4.82 117.38 103.46 1vlf n GLN 198 Ca 0.07 -0.68 -0.49 0.00 -1.94 0.00 0.00 57.00 53.97 1vlf n GLN 198 Cb 0.54 -0.61 -0.04 0.00 0.11 0.00 0.00 30.24 30.25 1vlf n GLN 198 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1vlf n TYR 199 N -0.10 0.80 -2.14 1.08 4.02 -1.26 -2.97 117.16 116.59 1vlf n TYR 199 Ca 0.00 0.79 -0.09 0.00 -0.01 0.00 0.00 57.90 58.59 1vlf n TYR 199 Cb 0.43 -2.18 -0.01 0.00 -0.02 0.00 0.00 39.34 37.56 1vlf n TYR 199 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1vlf n ASP 200 N 1.78 -3.01 0.21 7.72 10.43 -1.23 -1.44 116.55 131.00 1vlf n ASP 200 Ca 0.15 0.26 0.11 0.00 2.57 0.00 0.00 54.79 57.88 1vlf n ASP 200 Cb 0.25 -2.68 0.20 0.00 1.84 0.00 0.00 41.12 40.72 1vlf n ASP 200 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1vlf h LEU 201 N 0.00 0.00 0.33 0.64 3.38 -1.42 -3.31 115.31 114.93 1vlf h LEU 201 Ca -0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1vlf h LEU 201 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1vlf h LEU 201 CO 0.27 0.08 -0.16 0.25 0.09 0.00 0.00 178.44 178.97 1vlf h LEU 202 N 0.00 -0.37 -1.14 1.67 5.85 -1.67 0.22 115.31 119.86 1vlf h LEU 202 Ca -0.00 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1vlf h LEU 202 Cb 1.01 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1vlf h LEU 202 CO 0.01 -0.25 0.31 -0.08 -0.34 0.00 0.00 178.44 178.09 1vlf h GLU 203 N -0.47 0.91 -0.50 1.25 4.81 -1.79 0.85 114.58 119.64 1vlf h GLU 203 Ca -0.05 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1vlf h GLU 203 Cb 0.36 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1vlf h GLU 203 CO 0.07 0.70 0.25 0.22 -0.73 0.00 0.00 179.01 179.52 1vlf h ASP 204 N 0.90 0.65 -0.42 1.04 1.82 -1.57 -1.38 116.42 117.47 1vlf h ASP 204 Ca 0.22 -0.12 -0.09 0.00 -0.39 0.00 0.00 57.03 56.65 1vlf h ASP 204 Cb 0.10 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 1vlf h ASP 204 CO -0.03 0.59 -0.10 1.23 -1.61 0.00 0.00 179.24 179.32 1vlf h GLY 205 N 0.66 0.87 1.87 -0.78 0.00 0.07 -0.83 103.07 104.93 1vlf h GLY 205 Ca 0.17 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1vlf h GLY 205 CO -0.02 0.65 -0.10 1.41 0.00 0.00 0.00 176.54 178.48 1vlf h LEU 206 N 0.63 0.15 0.16 3.11 3.38 -0.66 0.17 115.31 122.26 1vlf h LEU 206 Ca 0.11 -0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.74 1vlf h LEU 206 Cb 0.63 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.35 1vlf h LEU 206 CO 0.04 0.28 -1.46 0.11 0.09 0.00 0.00 178.44 177.50 1vlf h LYS 207 N 0.16 0.35 0.00 1.13 1.57 -1.06 -3.43 116.57 115.28 1vlf h LYS 207 Ca 0.04 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1vlf h LYS 207 Cb 0.29 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1vlf h LYS 207 CO 0.02 1.25 -0.85 0.72 -0.57 0.00 0.00 179.45 180.02 1vlf n HIS 208 N -3.56 0.00 -1.71 -1.35 8.25 -0.33 -4.86 115.22 111.66 1vlf n HIS 208 Ca -0.15 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.88 1vlf n HIS 208 Cb 1.06 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 32.14 1vlf n HIS 208 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vlf n ALA 209 N -1.43 1.75 0.00 -1.41 0.00 0.04 -4.69 120.51 114.77 1vlf n ALA 209 Ca -0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1vlf n ALA 209 Cb 0.01 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.12 1vlf n ALA 209 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vlf n GLU 210 N 1.49 2.63 -3.66 0.00 1.02 -0.58 -4.77 120.64 116.76 1vlf n GLU 210 Ca 0.08 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.07 1vlf n GLU 210 Cb 0.35 -0.88 -0.08 0.00 -0.02 0.00 0.00 31.44 30.82 1vlf n GLU 210 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1vlf s MET 211 N -1.69 0.79 -0.05 3.49 0.00 -1.03 -1.81 119.30 118.99 1vlf s MET 211 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 55.69 55.92 1vlf s MET 211 Cb 0.00 0.37 0.02 0.00 0.00 0.00 0.00 34.83 35.22 1vlf s MET 211 CO 0.00 -0.21 -0.05 0.42 0.00 0.00 0.00 175.02 175.18 1vlf s ILE 212 N -0.85 0.64 -0.39 10.11 1.01 -0.07 -1.49 121.20 130.16 1vlf s ILE 212 Ca -0.09 -0.16 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 1vlf s ILE 212 Cb -0.03 -0.66 0.05 0.00 0.01 0.00 0.00 42.46 41.83 1vlf s ILE 212 CO 0.05 0.26 0.22 -0.69 0.00 0.00 0.00 174.94 174.78 1vlf s VAL 213 N 1.03 4.43 -0.50 2.92 1.01 -0.66 -1.54 120.40 127.09 1vlf s VAL 213 Ca -0.09 -1.07 -0.23 0.00 0.00 0.00 0.00 61.98 60.59 1vlf s VAL 213 Cb -0.14 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1vlf s VAL 213 CO -0.00 -0.34 0.84 -0.36 0.00 0.00 0.00 175.10 175.24 1vlf s PHE 214 N 1.50 2.91 -0.28 5.22 0.08 0.11 -0.18 117.98 127.35 1vlf s PHE 214 Ca 0.02 0.04 -0.04 0.00 0.12 0.00 0.00 56.93 57.07 1vlf s PHE 214 Cb -0.21 -3.84 0.02 0.00 -0.57 0.00 0.00 43.02 38.43 1vlf s PHE 214 CO 0.05 -1.15 0.01 -0.46 -0.10 0.00 0.00 175.22 173.57 1vlf s TRP 215 N 3.52 3.13 -1.42 0.36 -0.11 -0.37 -0.78 118.94 123.28 1vlf s TRP 215 Ca 0.29 -1.40 -0.09 0.00 1.22 0.00 0.00 56.10 56.12 1vlf s TRP 215 Cb -0.13 -2.15 0.04 0.00 -1.50 0.00 0.00 33.47 29.74 1vlf s TRP 215 CO 0.21 -0.69 1.00 0.45 -4.62 0.00 0.00 176.95 173.29 1vlf n SER 216 N 4.74 -4.43 -3.86 5.86 2.88 -0.44 -1.60 113.62 116.78 1vlf n SER 216 Ca -0.15 -0.71 -0.23 0.00 -1.33 0.00 0.00 58.87 56.45 1vlf n SER 216 Cb 0.47 -4.34 -0.17 0.00 -0.75 0.00 0.00 64.21 59.41 1vlf n SER 216 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1vlf s SER 217 N -3.58 1.61 -0.51 -3.46 0.15 -1.26 -3.50 113.70 103.15 1vlf s SER 217 Ca 0.48 -0.17 0.06 0.00 0.70 0.00 0.00 55.95 57.02 1vlf s SER 217 Cb -0.23 -0.58 0.22 0.00 -1.71 0.00 0.00 66.02 63.72 1vlf s SER 217 CO 0.79 -0.12 0.54 -0.67 1.20 0.00 0.00 173.24 174.98 1vlf n ASP 218 N 4.73 1.47 -0.28 5.45 -0.08 -1.26 -4.88 116.55 121.70 1vlf n ASP 218 Ca -0.14 -2.92 0.10 0.00 -1.51 0.00 0.00 54.79 50.32 1vlf n ASP 218 Cb 0.50 -0.65 0.25 0.00 2.34 0.00 0.00 41.12 43.56 1vlf n ASP 218 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1vlf h PRO 219 N 4.59 0.30 -0.37 -0.67 0.11 -1.90 -1.41 132.00 132.65 1vlf h PRO 219 Ca 0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1vlf h PRO 219 Cb 0.81 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 1vlf h PRO 219 CO 0.59 0.20 0.24 0.93 -0.21 0.00 0.00 178.00 179.75 1vlf h GLU 220 N 0.30 0.49 0.26 1.05 4.39 -1.94 0.57 114.58 119.72 1vlf h GLU 220 Ca 0.49 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.15 1vlf h GLU 220 Cb 0.91 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1vlf h GLU 220 CO -0.55 0.34 -0.13 1.15 -1.16 0.00 0.00 179.01 178.66 1vlf h THR 221 N 0.50 0.69 0.00 1.13 2.02 -1.75 -3.37 112.91 112.14 1vlf h THR 221 Ca 0.14 -0.81 -0.16 0.00 0.77 0.00 0.00 66.41 66.35 1vlf h THR 221 Cb -0.05 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1vlf h THR 221 CO -0.03 0.15 -0.97 0.78 0.37 0.00 0.00 175.52 175.82 1vlf h ASN 222 N -0.84 0.00 -1.47 4.18 2.35 -1.34 -3.48 115.58 114.98 1vlf h ASN 222 Ca -0.04 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.38 1vlf h ASN 222 Cb 0.51 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.76 1vlf h ASN 222 CO 0.06 0.64 -0.31 -1.54 -1.65 0.00 0.00 177.43 174.63 1vlf n SER 223 N -3.12 -4.33 0.00 5.81 3.41 0.20 -2.80 113.62 112.79 1vlf n SER 223 Ca -0.04 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1vlf n SER 223 Cb 0.82 -3.90 0.00 0.00 -0.26 0.00 0.00 64.21 60.88 1vlf n SER 223 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vlf n GLY 224 N -0.37 2.08 3.65 5.00 0.00 -1.25 -4.24 105.19 110.06 1vlf n GLY 224 Ca -0.17 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.65 1vlf n GLY 224 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vlf s ILE 225 N 0.00 0.00 0.00 -0.61 2.07 -1.12 -4.69 121.20 116.85 1vlf s ILE 225 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1vlf s ILE 225 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1vlf s ILE 225 CO 0.00 0.00 0.00 -1.22 -1.91 0.00 0.00 174.94 171.81 1vlf n TYR 226 N 2.93 0.00 -1.28 3.50 0.53 -1.25 -4.87 117.16 116.71 1vlf n TYR 226 Ca -0.16 0.00 -0.09 0.00 -1.02 0.00 0.00 57.90 56.62 1vlf n TYR 226 Cb 0.56 -1.53 0.22 0.00 -1.03 0.00 0.00 39.34 37.55 1vlf n TYR 226 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1vlf n ALA 227 N 1.00 4.61 -0.23 -0.72 0.00 -1.26 -3.98 120.51 119.93 1vlf n ALA 227 Ca 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 53.44 50.57 1vlf n ALA 227 Cb 0.38 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1vlf n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vlf n GLY 228 N -0.93 2.26 1.74 0.00 0.00 -1.26 -1.81 105.19 105.20 1vlf n GLY 228 Ca 0.41 0.40 -0.04 0.00 0.00 0.00 0.00 46.02 46.79 1vlf n GLY 228 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vlf n PHE 229 N 8.23 1.03 -0.12 1.61 3.01 -1.26 -4.66 117.46 125.30 1vlf n PHE 229 Ca 0.00 -1.61 0.06 0.00 1.01 0.00 0.00 57.45 56.92 1vlf n PHE 229 Cb 0.00 -0.24 0.39 0.00 -0.01 0.00 0.00 39.48 39.61 1vlf n PHE 229 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1vlf h GLU 230 N 1.71 0.64 -0.01 -1.08 4.39 -1.67 -2.81 114.58 115.76 1vlf h GLU 230 Ca 0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1vlf h GLU 230 Cb 1.42 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1vlf h GLU 230 CO 0.27 0.43 -0.12 -1.13 -1.16 0.00 0.00 179.01 177.29 1vlf n SER 231 N -4.47 0.67 -0.17 1.42 3.41 -1.26 -4.30 113.62 108.91 1vlf n SER 231 Ca 0.08 -0.76 -0.02 0.00 -0.26 0.00 0.00 58.87 57.91 1vlf n SER 231 Cb 0.20 -0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.20 1vlf n SER 231 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1vlf h ASN 232 N 0.86 0.19 0.43 4.04 -0.73 -1.88 -1.78 115.58 116.71 1vlf h ASN 232 Ca 0.00 0.06 -0.05 0.00 1.87 0.00 0.00 56.30 58.18 1vlf h ASN 232 Cb 0.38 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.01 1vlf h ASN 232 CO 0.00 0.13 -0.24 -0.29 -0.37 0.00 0.00 177.43 176.66 1vlf h ILE 233 N 0.37 0.89 -0.44 2.57 2.10 -1.81 -2.48 117.51 118.70 1vlf h ILE 233 Ca 0.25 -0.92 -0.09 0.00 1.08 0.00 0.00 64.86 65.18 1vlf h ILE 233 Cb 0.28 1.54 -0.01 0.00 -1.09 0.00 0.00 36.82 37.53 1vlf h ILE 233 CO -0.26 0.24 -0.09 0.03 -1.08 0.00 0.00 178.15 176.98 1vlf h ARG 234 N 0.00 0.85 0.00 2.19 3.08 -1.59 0.20 114.38 119.11 1vlf h ARG 234 Ca -0.00 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.67 1vlf h ARG 234 Cb 0.52 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1vlf h ARG 234 CO 0.03 0.95 -0.27 0.00 -1.07 0.00 0.00 179.97 179.61 1vlf h ARG 235 N 0.68 0.00 -0.30 0.04 3.08 -1.32 -1.58 114.38 114.98 1vlf h ARG 235 Ca 0.11 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1vlf h ARG 235 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1vlf h ARG 235 CO 0.04 0.27 -0.12 0.37 -1.07 0.00 0.00 179.97 179.46 1vlf h GLN 236 N 0.00 0.61 -0.25 0.04 5.75 -0.95 0.86 115.11 121.17 1vlf h GLN 236 Ca -0.00 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.24 1vlf h GLN 236 Cb 0.83 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 1vlf h GLN 236 CO 0.04 0.83 0.16 -1.49 -2.65 0.00 0.00 178.83 175.71 1vlf h TRP 237 N 0.37 0.33 -0.23 3.99 6.55 -0.59 -0.17 115.95 126.20 1vlf h TRP 237 Ca 0.07 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.91 1vlf h TRP 237 Cb 0.63 -0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 28.81 1vlf h TRP 237 CO 0.06 0.23 0.15 -0.07 -1.05 0.00 0.00 178.44 177.76 1vlf h LEU 238 N 0.32 0.27 -0.61 -4.49 3.38 -1.18 -1.00 115.31 112.01 1vlf h LEU 238 Ca 0.09 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1vlf h LEU 238 Cb -0.00 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1vlf h LEU 238 CO -0.02 0.22 0.33 0.50 0.09 0.00 0.00 178.44 179.56 1vlf h LYS 239 N 0.30 0.60 0.00 1.13 3.64 -0.62 -0.31 116.57 121.31 1vlf h LYS 239 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1vlf h LYS 239 Cb -0.01 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1vlf h LYS 239 CO -0.02 0.40 0.00 -0.44 -2.27 0.00 0.00 179.45 177.12 1vlf h ASP 240 N 0.62 0.00 0.16 4.20 3.32 -0.64 -1.55 116.42 122.53 1vlf h ASP 240 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1vlf h ASP 240 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1vlf h ASP 240 CO -0.17 0.00 -0.06 0.18 -1.72 0.00 0.00 179.24 177.46 1vlf n LEU 241 N -2.67 0.71 0.00 1.55 4.77 -0.20 -4.90 117.00 116.25 1vlf n LEU 241 Ca 0.02 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1vlf n LEU 241 Cb 0.28 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1vlf n LEU 241 CO 0.24 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1vlf n GLY 242 N 1.19 0.72 3.72 -0.72 0.00 -0.58 -5.04 105.19 104.48 1vlf n GLY 242 Ca 0.18 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1vlf n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vlf s VAL 243 N -2.00 3.95 0.22 1.61 1.01 -0.76 -4.94 120.40 119.48 1vlf s VAL 243 Ca 0.00 1.47 -0.22 0.00 0.00 0.00 0.00 61.98 63.23 1vlf s VAL 243 Cb 0.00 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 1vlf s VAL 243 CO 0.00 0.16 0.77 -1.81 0.00 0.00 0.00 175.10 174.22 1vlf s ASP 244 N 0.72 7.20 -0.21 3.32 1.01 -0.75 -4.52 116.67 123.44 1vlf s ASP 244 Ca 0.56 1.55 0.01 0.00 0.71 0.00 0.00 52.55 55.38 1vlf s ASP 244 Cb -0.30 -2.47 0.03 0.00 1.01 0.00 0.00 42.92 41.20 1vlf s ASP 244 CO 0.31 0.08 -0.16 -0.36 0.21 0.00 0.00 175.17 175.25 1vlf s PHE 245 N -1.42 2.94 -0.11 4.23 2.99 -1.26 -0.89 117.98 124.47 1vlf s PHE 245 Ca 0.42 -1.83 -0.00 0.00 0.00 0.00 0.00 56.93 55.52 1vlf s PHE 245 Cb -0.19 -1.94 -0.02 0.00 0.00 0.00 0.00 43.02 40.87 1vlf s PHE 245 CO 0.23 -0.82 -0.09 0.08 -0.00 0.00 0.00 175.22 174.61 1vlf s VAL 246 N 1.24 3.42 -0.13 -0.44 1.01 -0.59 -0.46 120.40 124.45 1vlf s VAL 246 Ca 0.01 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1vlf s VAL 246 Cb -0.15 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1vlf s VAL 246 CO -0.10 0.55 -0.19 -0.36 0.00 0.00 0.00 175.10 175.00 1vlf s PHE 247 N -0.13 2.69 -0.30 5.22 0.40 0.12 0.04 117.98 126.03 1vlf s PHE 247 Ca 0.00 -1.07 0.00 0.00 -0.60 0.00 0.00 56.93 55.27 1vlf s PHE 247 Cb -0.13 -1.81 0.06 0.00 0.51 0.00 0.00 43.02 41.65 1vlf s PHE 247 CO 0.03 -0.46 -0.02 0.42 0.70 0.00 0.00 175.22 175.89 1vlf s ILE 248 N 0.61 2.67 -0.28 0.64 1.01 0.04 0.26 121.20 126.15 1vlf s ILE 248 Ca -0.10 -1.59 -0.17 0.00 0.00 0.00 0.00 60.65 58.79 1vlf s ILE 248 Cb -0.16 -2.60 0.12 0.00 0.01 0.00 0.00 42.46 39.83 1vlf s ILE 248 CO 0.03 -0.15 0.86 -0.62 0.00 0.00 0.00 174.94 175.05 1vlf s ASP 249 N 1.21 -0.69 0.44 3.58 -1.08 -0.32 -1.32 116.67 118.50 1vlf s ASP 249 Ca -0.05 1.11 0.21 0.00 -0.52 0.00 0.00 52.55 53.30 1vlf s ASP 249 Cb -0.20 1.27 1.18 0.00 -1.46 0.00 0.00 42.92 43.71 1vlf s ASP 249 CO -0.03 -0.18 1.86 -0.65 0.52 0.00 0.00 175.17 176.69 1vlf h PRO 250 N 6.35 0.30 -5.73 4.34 0.11 -1.77 -3.36 132.00 132.23 1vlf h PRO 250 Ca -0.29 -0.02 -0.66 0.00 0.11 0.00 0.00 66.00 65.14 1vlf h PRO 250 Cb 1.21 -0.07 -0.18 0.00 0.11 0.00 0.00 31.00 32.07 1vlf h PRO 250 CO 0.18 0.20 -0.64 -1.58 -0.21 0.00 0.00 178.00 175.95 1vlf s HIS 251 N -5.33 3.10 -0.92 0.65 5.65 -1.26 -4.08 115.29 113.09 1vlf s HIS 251 Ca -0.07 0.01 -0.24 0.00 0.25 0.00 0.00 55.06 55.00 1vlf s HIS 251 Cb 0.23 -1.86 -0.01 0.00 -1.18 0.00 0.00 32.58 29.76 1vlf s HIS 251 CO 0.78 0.27 1.77 1.41 -0.65 0.00 0.00 174.74 178.32 1vlf s MET 252 N -0.38 2.89 1.16 2.88 1.75 -0.62 -4.93 119.30 122.04 1vlf s MET 252 Ca 0.07 -0.49 -0.14 0.00 -1.25 0.00 0.00 55.69 53.88 1vlf s MET 252 Cb -0.12 -5.09 0.28 0.00 2.84 0.00 0.00 34.83 32.73 1vlf s MET 252 CO 0.02 -2.96 1.03 0.54 -0.65 0.00 0.00 175.02 173.01 1vlf s ASN 253 N 7.00 1.09 0.41 1.11 2.20 -1.26 -4.59 114.94 120.89 1vlf s ASN 253 Ca 0.62 1.32 0.07 0.00 -0.94 0.00 0.00 52.86 53.93 1vlf s ASN 253 Cb -0.05 -2.04 0.84 0.00 -2.00 0.00 0.00 41.25 38.00 1vlf s ASN 253 CO -0.02 -4.10 2.05 0.45 -2.94 0.00 0.00 177.10 172.54 1vlf h HIS 254 N -2.56 0.52 -0.25 1.54 3.86 -1.94 0.91 115.15 117.23 1vlf h HIS 254 Ca -0.59 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 58.53 1vlf h HIS 254 Cb 1.34 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 1vlf h HIS 254 CO -0.07 0.34 -0.21 1.15 0.86 0.00 0.00 177.93 180.00 1vlf h THR 255 N 0.55 1.31 -0.86 2.45 2.02 -1.91 -2.71 112.91 113.76 1vlf h THR 255 Ca 0.15 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 1vlf h THR 255 Cb -0.04 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1vlf h THR 255 CO -0.03 0.43 0.53 0.00 0.37 0.00 0.00 175.52 176.82 1vlf h ALA 256 N 0.69 1.10 0.00 6.16 0.00 -1.68 -0.00 119.26 125.52 1vlf h ALA 256 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1vlf h ALA 256 Cb 0.76 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1vlf h ALA 256 CO 0.05 0.55 -0.06 0.00 0.00 0.00 0.00 179.25 179.80 1vlf h ARG 257 N 1.18 0.00 0.06 0.00 3.08 -0.76 -1.64 114.38 116.30 1vlf h ARG 257 Ca 0.31 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.09 1vlf h ARG 257 Cb -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1vlf h ARG 257 CO -0.06 0.06 -1.47 1.25 -1.07 0.00 0.00 179.97 178.68 1vlf h LEU 258 N 0.00 0.19 -2.05 3.04 5.85 -0.94 -3.44 115.31 117.95 1vlf h LEU 258 Ca -0.00 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 58.01 1vlf h LEU 258 Cb 0.12 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1vlf h LEU 258 CO 0.01 1.61 -0.20 1.33 -0.34 0.00 0.00 178.44 180.84 1vlf n VAL 259 N -4.07 0.50 -2.19 1.05 0.24 -0.12 -5.10 118.33 108.64 1vlf n VAL 259 Ca -0.30 -0.57 -0.41 0.00 -2.04 0.00 0.00 64.34 61.02 1vlf n VAL 259 Cb 0.82 0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 33.66 1vlf n VAL 259 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vlf s ALA 260 N -0.69 3.49 -0.12 2.33 0.00 -0.62 -4.68 121.76 121.46 1vlf s ALA 260 Ca 0.06 1.18 0.19 0.00 0.00 0.00 0.00 51.96 53.40 1vlf s ALA 260 Cb 0.05 -3.46 -0.22 0.00 0.00 0.00 0.00 23.12 19.50 1vlf s ALA 260 CO 0.01 -0.55 0.55 -0.25 0.00 0.00 0.00 175.76 175.52 1vlf n ASP 261 N 1.18 0.36 -3.59 0.00 10.43 0.40 -4.95 116.55 120.37 1vlf n ASP 261 Ca 0.01 0.15 -0.15 0.00 2.57 0.00 0.00 54.79 57.38 1vlf n ASP 261 Cb 0.42 1.01 -0.07 0.00 1.84 0.00 0.00 41.12 44.33 1vlf n ASP 261 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1vlf s LYS 262 N -3.07 0.87 -0.04 -1.24 2.47 -1.17 -5.03 119.74 112.52 1vlf s LYS 262 Ca -0.06 0.69 0.02 0.00 -1.56 0.00 0.00 55.97 55.06 1vlf s LYS 262 Cb 0.10 0.42 0.01 0.00 -1.46 0.00 0.00 37.83 36.90 1vlf s LYS 262 CO 0.85 -0.18 -0.09 -0.46 0.16 0.00 0.00 175.35 175.63 1vlf s TRP 263 N -0.21 1.06 -0.08 4.03 -0.00 -1.26 -0.70 118.94 121.77 1vlf s TRP 263 Ca -0.03 -0.33 0.01 0.00 -0.00 0.00 0.00 56.10 55.75 1vlf s TRP 263 Cb -0.03 -0.81 -0.03 0.00 -0.00 0.00 0.00 33.47 32.60 1vlf s TRP 263 CO 0.03 -0.19 -0.10 -0.06 -0.00 0.00 0.00 176.95 176.63 1vlf s PHE 264 N 0.58 2.84 -0.65 5.86 0.08 0.14 -4.97 117.98 121.86 1vlf s PHE 264 Ca -0.10 -0.20 0.05 0.00 0.12 0.00 0.00 56.93 56.79 1vlf s PHE 264 Cb -0.13 -1.74 0.16 0.00 -0.57 0.00 0.00 43.02 40.74 1vlf s PHE 264 CO 0.02 0.14 0.43 0.45 -0.10 0.00 0.00 175.22 176.15 1vlf s SER 265 N -0.43 4.64 0.50 1.36 0.15 -1.26 -1.17 113.70 117.49 1vlf s SER 265 Ca 0.06 -3.62 -0.21 0.00 0.70 0.00 0.00 55.95 52.88 1vlf s SER 265 Cb -0.12 -1.62 -0.07 0.00 -1.71 0.00 0.00 66.02 62.50 1vlf s SER 265 CO 0.02 -0.12 1.10 -2.16 1.20 0.00 0.00 173.24 173.28 1vlf s PRO 266 N -1.13 3.64 0.64 5.44 0.04 -1.26 -4.69 135.00 137.68 1vlf s PRO 266 Ca 0.23 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.66 1vlf s PRO 266 Cb -0.10 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 1vlf s PRO 266 CO -0.12 -0.61 1.21 0.15 0.04 0.00 0.00 177.00 177.67 1vlf s LYS 267 N -3.08 2.68 0.28 4.56 1.02 -0.65 -4.25 119.74 120.30 1vlf s LYS 267 Ca 0.68 1.80 -0.29 0.00 0.02 0.00 0.00 55.97 58.18 1vlf s LYS 267 Cb -0.23 -1.90 -0.14 0.00 -0.52 0.00 0.00 37.83 35.05 1vlf s LYS 267 CO 0.27 -1.42 1.18 0.44 -0.92 0.00 0.00 175.35 174.89 1vlf n ILE 268 N -2.00 1.68 -1.73 2.17 -5.35 -1.26 -2.40 119.36 110.47 1vlf n ILE 268 Ca 0.14 -0.42 -0.13 0.00 -0.27 0.00 0.00 62.75 62.07 1vlf n ILE 268 Cb 0.50 -1.22 -0.03 0.00 -1.74 0.00 0.00 39.64 37.14 1vlf n ILE 268 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vlf n GLY 269 N 1.36 0.72 0.00 3.28 0.00 -1.26 -4.62 105.19 104.67 1vlf n GLY 269 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1vlf n GLY 269 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vlf n THR 270 N -3.21 0.75 -0.37 2.61 -2.24 -1.01 -4.36 114.28 106.45 1vlf n THR 270 Ca -0.14 -0.76 0.05 0.00 -2.27 0.00 0.00 64.05 60.93 1vlf n THR 270 Cb 0.50 0.63 0.20 0.00 -2.10 0.00 0.00 70.33 69.56 1vlf n THR 270 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1vlf h ASP 271 N 0.00 0.99 0.58 3.42 5.19 -1.91 -1.51 116.42 123.18 1vlf h ASP 271 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1vlf h ASP 271 Cb 0.60 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1vlf h ASP 271 CO 0.00 0.59 0.00 0.00 -3.12 0.00 0.00 179.24 176.71 1vlf n HIS 272 N -4.55 0.50 -0.05 4.55 1.44 -1.26 -1.21 115.22 114.65 1vlf n HIS 272 Ca 0.17 0.20 -0.13 0.00 -2.01 0.00 0.00 57.72 55.95 1vlf n HIS 272 Cb 0.25 -0.82 -0.00 0.00 0.12 0.00 0.00 29.99 29.54 1vlf n HIS 272 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1vlf h ALA 273 N 2.32 0.55 -0.24 1.59 0.00 -1.63 -1.72 119.26 120.12 1vlf h ALA 273 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1vlf h ALA 273 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1vlf h ALA 273 CO 0.00 0.68 -0.08 -0.07 0.00 0.00 0.00 179.25 179.78 1vlf h LEU 274 N 0.58 0.49 -1.14 0.00 3.38 -1.21 -1.76 115.31 115.65 1vlf h LEU 274 Ca 0.01 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1vlf h LEU 274 Cb 1.13 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1vlf h LEU 274 CO 0.12 0.76 0.37 0.77 0.09 0.00 0.00 178.44 180.55 1vlf h SER 275 N 0.21 0.87 -0.19 -0.43 4.64 -1.36 -0.95 113.55 116.34 1vlf h SER 275 Ca 0.06 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.17 1vlf h SER 275 Cb 0.56 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1vlf h SER 275 CO 0.03 0.71 -0.35 -0.26 -0.87 0.00 0.00 176.83 176.09 1vlf h PHE 276 N 0.98 0.82 -0.30 4.77 -1.00 -1.20 -1.83 116.94 119.18 1vlf h PHE 276 Ca 0.25 -0.22 -0.10 0.00 2.81 0.00 0.00 57.97 60.70 1vlf h PHE 276 Cb 0.04 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.41 1vlf h PHE 276 CO 0.01 0.95 -0.24 0.00 -1.61 0.00 0.00 178.31 177.41 1vlf h ALA 277 N 1.03 1.02 -0.30 2.45 0.00 -0.78 -0.13 119.26 122.55 1vlf h ALA 277 Ca 0.06 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1vlf h ALA 277 Cb 0.87 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1vlf h ALA 277 CO 0.08 0.59 -0.15 0.82 0.00 0.00 0.00 179.25 180.58 1vlf h ILE 278 N 0.51 1.29 -0.80 0.00 2.04 -1.06 -1.25 117.51 118.25 1vlf h ILE 278 Ca 0.07 -1.26 -0.05 0.00 1.00 0.00 0.00 64.86 64.63 1vlf h ILE 278 Cb 0.70 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1vlf h ILE 278 CO 0.05 0.40 0.31 0.00 0.00 0.00 0.00 178.15 178.91 1vlf h ALA 279 N 0.75 1.04 -0.21 1.87 0.00 -1.14 -1.51 119.26 120.06 1vlf h ALA 279 Ca 0.06 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1vlf h ALA 279 Cb 0.68 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1vlf h ALA 279 CO 0.05 0.67 0.05 -0.92 0.00 0.00 0.00 179.25 179.10 1vlf h TYR 280 N 1.16 0.09 -0.59 0.00 3.20 -0.88 0.23 116.97 120.19 1vlf h TYR 280 Ca 0.26 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.20 1vlf h TYR 280 Cb 0.23 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 1vlf h TYR 280 CO 0.02 0.03 0.32 1.15 -1.64 0.00 0.00 178.16 178.05 1vlf h THR 281 N 0.14 0.97 -0.56 1.81 2.02 -0.76 0.36 112.91 116.88 1vlf h THR 281 Ca 0.09 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 1vlf h THR 281 Cb 0.08 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1vlf h THR 281 CO -0.12 0.11 -0.02 -0.50 0.37 0.00 0.00 175.52 175.37 1vlf h TRP 282 N 0.61 1.06 -0.24 3.16 6.55 -0.80 -1.17 115.95 125.12 1vlf h TRP 282 Ca 0.26 -0.18 -0.04 0.00 0.95 0.00 0.00 58.89 59.88 1vlf h TRP 282 Cb 0.15 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.16 1vlf h TRP 282 CO -0.09 0.95 -0.01 -0.07 -1.05 0.00 0.00 178.44 178.18 1vlf h LEU 283 N 0.89 0.41 -1.33 -4.49 3.38 -0.39 0.18 115.31 113.96 1vlf h LEU 283 Ca 0.16 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1vlf h LEU 283 Cb 0.54 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1vlf h LEU 283 CO 0.03 0.63 -0.30 0.11 0.09 0.00 0.00 178.44 179.00 1vlf h LYS 284 N 0.19 0.06 -0.44 1.13 1.79 -0.85 -3.05 116.57 115.39 1vlf h LYS 284 Ca 0.07 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1vlf h LYS 284 Cb 0.42 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1vlf h LYS 284 CO 0.01 0.35 0.00 0.39 -1.08 0.00 0.00 179.45 179.12 1vlf n GLU 285 N -4.17 2.52 -3.05 3.15 1.02 -0.45 -4.96 120.64 114.70 1vlf n GLU 285 Ca -0.02 -2.21 -0.20 0.00 -0.02 0.00 0.00 57.16 54.71 1vlf n GLU 285 Cb 0.36 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1vlf n GLU 285 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1vlf n ASP 286 N 1.10 -4.03 -3.72 1.62 9.92 0.47 -4.88 116.55 117.03 1vlf n ASP 286 Ca 0.17 -0.20 -0.41 0.00 -0.53 0.00 0.00 54.79 53.81 1vlf n ASP 286 Cb 0.51 -3.35 0.02 0.00 -0.64 0.00 0.00 41.12 37.66 1vlf n ASP 286 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1vlf n SER 287 N -2.17 7.16 -3.51 -2.24 3.41 -0.25 -4.95 113.62 111.07 1vlf n SER 287 Ca -0.06 -3.61 -0.10 0.00 -0.26 0.00 0.00 58.87 54.83 1vlf n SER 287 Cb 0.57 -1.20 -0.02 0.00 -0.26 0.00 0.00 64.21 63.30 1vlf n SER 287 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1vlf s TYR 288 N -3.89 0.35 -1.24 7.33 1.13 -1.26 -4.76 117.35 115.01 1vlf s TYR 288 Ca 0.38 -0.79 -0.17 0.00 -1.41 0.00 0.00 57.07 55.07 1vlf s TYR 288 Cb 0.16 0.40 0.10 0.00 -1.10 0.00 0.00 41.96 41.52 1vlf s TYR 288 CO -0.07 -1.23 1.60 0.34 -2.51 0.00 0.00 175.55 173.68 1vlf s ASP 289 N -3.06 6.87 0.23 -0.18 -1.08 -0.04 -4.84 116.67 114.56 1vlf s ASP 289 Ca 0.20 -2.50 -0.06 0.00 -0.52 0.00 0.00 52.55 49.67 1vlf s ASP 289 Cb -0.03 -2.52 0.33 0.00 -1.46 0.00 0.00 42.92 39.24 1vlf s ASP 289 CO 0.12 -1.08 1.82 0.11 0.52 0.00 0.00 175.17 176.66 1vlf h LYS 290 N 7.70 0.76 -0.11 4.34 1.57 -1.95 -1.25 116.57 127.63 1vlf h LYS 290 Ca 0.38 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.13 1vlf h LYS 290 Cb 0.89 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1vlf h LYS 290 CO 1.38 0.50 0.01 0.93 -0.57 0.00 0.00 179.45 181.70 1vlf h GLU 291 N 0.78 0.05 -0.08 3.15 3.07 -1.98 0.17 114.58 119.74 1vlf h GLU 291 Ca 0.36 -0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.24 1vlf h GLU 291 Cb 0.27 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1vlf h GLU 291 CO -0.21 0.03 -0.05 -0.92 -1.40 0.00 0.00 179.01 176.46 1vlf h TYR 292 N 0.05 -0.11 -0.78 4.33 3.20 -1.86 -2.30 116.97 119.50 1vlf h TYR 292 Ca 0.05 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1vlf h TYR 292 Cb 0.05 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 1vlf h TYR 292 CO -0.12 -0.08 0.51 0.28 -1.64 0.00 0.00 178.16 177.11 1vlf h VAL 293 N -0.05 1.20 -0.65 1.81 2.07 -0.95 0.29 116.25 119.98 1vlf h VAL 293 Ca 0.05 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1vlf h VAL 293 Cb 0.12 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 1vlf h VAL 293 CO -0.11 0.20 0.43 0.00 0.02 0.00 0.00 177.57 178.10 1vlf h ALA 294 N 1.28 1.62 0.00 1.67 0.00 -0.31 -1.77 119.26 121.75 1vlf h ALA 294 Ca 0.28 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.94 1vlf h ALA 294 Cb -0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1vlf h ALA 294 CO -0.06 0.32 -1.80 0.00 0.00 0.00 0.00 179.25 177.70 1vlf n ALA 295 N -2.45 1.85 0.01 0.00 0.00 -0.87 -4.57 120.51 114.48 1vlf n ALA 295 Ca 0.08 -0.79 0.04 0.00 0.00 0.00 0.00 53.44 52.76 1vlf n ALA 295 Cb 0.11 -0.70 0.08 0.00 0.00 0.00 0.00 19.45 18.94 1vlf n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vlf n ASN 296 N -2.80 2.30 -4.41 0.00 3.02 0.96 -4.99 115.26 109.35 1vlf n ASN 296 Ca -0.17 -1.80 -0.29 0.00 -0.03 0.00 0.00 54.58 52.30 1vlf n ASN 296 Cb 0.93 -0.11 -0.13 0.00 -0.61 0.00 0.00 39.78 39.87 1vlf n ASN 296 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vlf s ALA 297 N -0.88 2.45 -0.08 5.41 0.00 -0.67 -0.86 121.76 127.12 1vlf s ALA 297 Ca 0.13 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.64 1vlf s ALA 297 Cb 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1vlf s ALA 297 CO 0.10 0.53 -0.16 -1.58 0.00 0.00 0.00 175.76 174.65 1vlf s HIS 298 N -1.15 1.82 -0.30 0.00 2.46 0.27 -4.70 115.29 113.69 1vlf s HIS 298 Ca 0.15 -0.71 0.00 0.00 0.47 0.00 0.00 55.06 54.97 1vlf s HIS 298 Cb -0.10 -1.28 0.00 0.00 -0.13 0.00 0.00 32.58 31.07 1vlf s HIS 298 CO 0.07 -0.33 0.00 0.41 -2.47 0.00 0.00 174.74 172.42 1vlf n GLY 299 N 3.74 0.60 0.33 1.59 0.00 -1.26 -1.06 105.19 109.13 1vlf n GLY 299 Ca -0.22 -0.54 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 1vlf n GLY 299 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1vlf h PHE 300 N 0.00 1.16 -0.30 1.61 3.57 -1.92 -2.29 116.94 118.77 1vlf h PHE 300 Ca -0.06 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.36 1vlf h PHE 300 Cb 0.27 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1vlf h PHE 300 CO 0.13 0.92 0.10 0.93 -2.23 0.00 0.00 178.31 178.16 1vlf h GLU 301 N 1.08 0.22 -0.48 1.11 3.07 -1.97 0.23 114.58 117.84 1vlf h GLU 301 Ca 0.23 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 59.01 1vlf h GLU 301 Cb 0.31 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1vlf h GLU 301 CO -0.01 0.15 0.01 0.93 -1.40 0.00 0.00 179.01 178.69 1vlf h GLU 302 N 0.23 0.79 -0.33 2.33 3.07 -1.95 -2.39 114.58 116.32 1vlf h GLU 302 Ca 0.14 -0.21 -0.05 0.00 -0.50 0.00 0.00 59.36 58.74 1vlf h GLU 302 Cb 0.11 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1vlf h GLU 302 CO -0.15 0.79 0.01 2.35 -1.40 0.00 0.00 179.01 180.61 1vlf h TRP 303 N 0.74 0.63 -0.76 4.33 7.01 -0.80 -2.73 115.95 124.37 1vlf h TRP 303 Ca 0.15 -0.11 0.04 0.00 2.11 0.00 0.00 58.89 61.08 1vlf h TRP 303 Cb 0.43 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.28 1vlf h TRP 303 CO 0.02 0.69 0.50 0.00 -2.79 0.00 0.00 178.44 176.86 1vlf h ALA 304 N 0.86 1.56 -0.21 2.65 0.00 -0.36 -0.60 119.26 123.16 1vlf h ALA 304 Ca 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1vlf h ALA 304 Cb 0.43 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1vlf h ALA 304 CO 0.02 0.36 -0.13 -0.44 0.00 0.00 0.00 179.25 179.06 1vlf h ASP 305 N 0.92 0.32 -0.03 0.00 3.32 -1.19 -0.72 116.42 119.05 1vlf h ASP 305 Ca 0.30 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1vlf h ASP 305 Cb 0.06 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1vlf h ASP 305 CO -0.09 0.48 -0.05 0.22 -1.72 0.00 0.00 179.24 178.09 1vlf h TYR 306 N 0.32 0.11 -0.93 4.55 3.20 -0.88 -0.90 116.97 122.44 1vlf h TYR 306 Ca 0.06 -0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.97 1vlf h TYR 306 Cb 0.43 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 1vlf h TYR 306 CO 0.01 0.61 0.60 0.28 -1.64 0.00 0.00 178.16 178.02 1vlf h VAL 307 N -0.42 1.03 0.00 1.81 2.07 -0.94 0.17 116.25 119.96 1vlf h VAL 307 Ca 0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1vlf h VAL 307 Cb 0.60 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1vlf h VAL 307 CO 0.01 0.18 0.00 0.18 0.02 0.00 0.00 177.57 177.97 1vlf n LEU 308 N -4.51 0.00 -0.06 2.57 4.77 -0.30 -1.67 117.00 117.80 1vlf n LEU 308 Ca 0.15 0.34 -0.01 0.00 -0.03 0.00 0.00 56.01 56.46 1vlf n LEU 308 Cb 0.24 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1vlf n LEU 308 CO 0.32 -0.07 -0.01 0.61 -1.33 0.00 0.00 177.39 176.91 1vlf n GLY 309 N 0.81 0.49 0.27 -0.72 0.00 0.58 -4.15 105.19 102.47 1vlf n GLY 309 Ca 0.10 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 1vlf n GLY 309 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vlf h LYS 310 N 0.55 0.94 0.00 1.61 1.57 -1.38 -0.33 116.57 119.53 1vlf h LYS 310 Ca -0.02 -0.43 -0.11 0.00 -1.87 0.00 0.00 60.65 58.22 1vlf h LYS 310 Cb 0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1vlf h LYS 310 CO 0.03 1.09 -1.14 1.79 -0.57 0.00 0.00 179.45 180.65 1vlf h THR 311 N 0.80 0.40 -0.00 -0.16 1.35 -1.86 -3.37 112.91 110.07 1vlf h THR 311 Ca 0.09 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 1vlf h THR 311 Cb 0.85 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1vlf h THR 311 CO 0.08 0.23 -0.24 -0.90 -0.25 0.00 0.00 175.52 174.43 1vlf n ASP 312 N -2.89 0.69 0.00 5.36 3.85 -1.25 -5.00 116.55 117.31 1vlf n ASP 312 Ca -0.05 -0.84 0.00 0.00 -0.71 0.00 0.00 54.79 53.18 1vlf n ASP 312 Cb 0.74 0.73 0.00 0.00 -1.35 0.00 0.00 41.12 41.24 1vlf n ASP 312 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vlf n GLY 313 N 0.97 0.80 2.85 6.12 0.00 -0.14 -5.02 105.19 110.78 1vlf n GLY 313 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1vlf n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vlf s THR 314 N -3.05 1.61 0.30 2.61 2.01 -1.20 -4.98 115.64 112.94 1vlf s THR 314 Ca 0.00 -2.09 -0.30 0.00 0.31 0.00 0.00 61.69 59.62 1vlf s THR 314 Cb 0.00 -2.18 -0.11 0.00 0.01 0.00 0.00 72.50 70.22 1vlf s THR 314 CO 0.00 -0.69 1.56 -2.84 -0.69 0.00 0.00 174.62 171.95 1vlf s PRO 315 N 1.00 4.14 -1.45 4.92 0.02 -1.26 -4.06 135.00 138.30 1vlf s PRO 315 Ca 0.12 2.55 -0.11 0.00 0.02 0.00 0.00 61.00 63.58 1vlf s PRO 315 Cb -0.20 -3.02 0.04 0.00 0.02 0.00 0.00 34.50 31.34 1vlf s PRO 315 CO -0.13 -0.59 2.40 1.63 -0.33 0.00 0.00 177.00 179.98 1vlf n LYS 316 N 1.88 3.51 -1.50 5.54 4.76 -0.67 -4.87 118.16 126.82 1vlf n LYS 316 Ca 0.07 -2.80 -0.30 0.00 -2.87 0.00 0.00 58.31 52.41 1vlf n LYS 316 Cb 0.38 -2.98 0.11 0.00 -1.84 0.00 0.00 35.03 30.70 1vlf n LYS 316 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1vlf s THR 317 N 1.69 2.72 0.36 -0.18 -4.23 -1.26 -3.77 115.64 110.97 1vlf s THR 317 Ca 0.53 0.23 0.08 0.00 -1.18 0.00 0.00 61.69 61.36 1vlf s THR 317 Cb 0.15 -2.95 0.14 0.00 1.34 0.00 0.00 72.50 71.18 1vlf s THR 317 CO -0.06 -0.31 1.87 0.00 -0.54 0.00 0.00 174.62 175.58 1vlf h GLU 319 N 0.27 0.46 -0.39 0.00 3.07 -1.92 0.14 114.58 116.20 1vlf h GLU 319 Ca 0.05 -0.23 -0.06 0.00 -0.50 0.00 0.00 59.36 58.62 1vlf h GLU 319 Cb 0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1vlf h GLU 319 CO 0.03 0.80 0.00 2.35 -1.40 0.00 0.00 179.01 180.78 1vlf h TRP 320 N 0.38 0.75 -0.38 4.33 7.01 -1.70 -2.41 115.95 123.92 1vlf h TRP 320 Ca 0.03 -0.13 -0.06 0.00 2.11 0.00 0.00 58.89 60.84 1vlf h TRP 320 Cb 0.89 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.74 1vlf h TRP 320 CO 0.03 0.77 -0.04 0.00 -2.79 0.00 0.00 178.44 176.41 1vlf h ALA 321 N 0.88 1.23 -0.43 2.65 0.00 -0.90 -2.56 119.26 120.13 1vlf h ALA 321 Ca 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1vlf h ALA 321 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1vlf h ALA 321 CO 0.02 0.51 0.10 1.49 0.00 0.00 0.00 179.25 181.37 1vlf h GLU 322 N 0.58 0.70 0.00 0.00 4.81 -0.79 0.76 114.58 120.64 1vlf h GLU 322 Ca 0.12 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1vlf h GLU 322 Cb 0.42 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1vlf h GLU 322 CO 0.02 0.71 -0.14 1.49 -0.73 0.00 0.00 179.01 180.35 1vlf h GLU 323 N 0.57 0.00 0.09 1.92 4.81 -1.12 0.64 114.58 121.49 1vlf h GLU 323 Ca 0.14 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.19 1vlf h GLU 323 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1vlf h GLU 323 CO 0.00 0.14 -0.86 0.93 -0.73 0.00 0.00 179.01 178.49 1vlf h GLU 324 N 0.00 0.19 0.00 1.92 4.39 -1.07 -3.41 114.58 116.60 1vlf h GLU 324 Ca -0.00 -0.33 -0.08 0.00 0.34 0.00 0.00 59.36 59.28 1vlf h GLU 324 Cb 0.28 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1vlf h GLU 324 CO 0.02 1.16 -2.09 -1.13 -1.16 0.00 0.00 179.01 175.81 1vlf n SER 325 N -4.19 0.00 0.00 1.42 3.41 0.23 -4.78 113.62 109.71 1vlf n SER 325 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1vlf n SER 325 Cb 0.76 1.78 0.00 0.00 -0.26 0.00 0.00 64.21 66.49 1vlf n SER 325 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vlf n GLY 326 N 1.37 0.90 3.68 5.00 0.00 0.22 -1.64 105.19 114.73 1vlf n GLY 326 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1vlf n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vlf s VAL 327 N -3.09 5.02 0.13 1.61 1.01 -1.25 -5.01 120.40 118.83 1vlf s VAL 327 Ca 0.00 1.31 -0.35 0.00 0.00 0.00 0.00 61.98 62.94 1vlf s VAL 327 Cb 0.00 -3.99 -0.16 0.00 0.00 0.00 0.00 36.38 32.23 1vlf s VAL 327 CO 0.00 0.16 1.27 -2.65 0.00 0.00 0.00 175.10 173.88 1vlf n PRO 328 N 4.60 1.22 -0.23 2.72 -0.02 -1.26 -4.02 135.00 138.01 1vlf n PRO 328 Ca -0.01 0.44 -0.03 0.00 -2.02 0.00 0.00 63.50 61.88 1vlf n PRO 328 Cb 0.50 -2.02 0.08 0.00 -0.02 0.00 0.00 33.50 32.04 1vlf n PRO 328 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vlf h ALA 329 N 4.05 0.86 -0.91 3.55 0.00 -1.94 -1.55 119.26 123.32 1vlf h ALA 329 Ca -0.45 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.49 1vlf h ALA 329 Cb 1.33 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1vlf h ALA 329 CO 0.75 0.12 0.60 0.00 0.00 0.00 0.00 179.25 180.71 1vlf h GLU 331 N 1.12 0.78 -0.37 0.00 5.08 -1.77 -0.14 114.58 119.27 1vlf h GLU 331 Ca 0.37 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1vlf h GLU 331 Cb 0.06 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1vlf h GLU 331 CO -0.12 1.14 0.21 0.82 -1.00 0.00 0.00 179.01 180.06 1vlf h ILE 332 N 0.59 1.14 -0.58 3.13 2.04 -0.60 -1.37 117.51 121.86 1vlf h ILE 332 Ca 0.00 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 1vlf h ILE 332 Cb 1.17 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1vlf h ILE 332 CO 0.12 0.14 0.18 -0.09 0.00 0.00 0.00 178.15 178.50 1vlf h ARG 333 N 0.47 0.90 -0.76 2.37 2.43 -0.86 -1.74 114.38 117.19 1vlf h ARG 333 Ca 0.13 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1vlf h ARG 333 Cb 0.04 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 1vlf h ARG 333 CO -0.02 0.81 0.49 0.00 -1.51 0.00 0.00 179.97 179.74 1vlf h ALA 334 N 1.05 0.98 -0.41 2.80 0.00 -0.76 -1.16 119.26 121.76 1vlf h ALA 334 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1vlf h ALA 334 Cb 0.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1vlf h ALA 334 CO -0.01 0.32 0.15 1.25 0.00 0.00 0.00 179.25 180.96 1vlf h LEU 335 N 0.97 0.57 -0.28 0.00 5.85 -0.98 -1.72 115.31 119.73 1vlf h LEU 335 Ca 0.29 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1vlf h LEU 335 Cb -0.04 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1vlf h LEU 335 CO -0.09 0.60 0.09 0.00 -0.34 0.00 0.00 178.44 178.70 1vlf h ALA 336 N 0.99 0.31 -0.54 1.25 0.00 -0.78 0.15 119.26 120.65 1vlf h ALA 336 Ca 0.13 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1vlf h ALA 336 Cb 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1vlf h ALA 336 CO -0.01 -0.31 0.02 0.00 0.00 0.00 0.00 179.25 178.95 1vlf h ARG 337 N 0.22 0.90 -0.26 0.00 3.08 -1.13 -1.51 114.38 115.68 1vlf h ARG 337 Ca 0.12 -0.25 -0.18 0.00 0.07 0.00 0.00 59.98 59.75 1vlf h ARG 337 Cb 0.09 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1vlf h ARG 337 CO -0.13 0.88 -0.52 0.37 -1.07 0.00 0.00 179.97 179.50 1vlf h GLN 338 N 0.84 0.81 -0.47 0.04 5.75 -0.99 -2.64 115.11 118.45 1vlf h GLN 338 Ca 0.16 -0.53 0.02 0.00 -0.15 0.00 0.00 58.65 58.16 1vlf h GLN 338 Cb 0.47 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.05 1vlf h GLN 338 CO 0.02 1.16 0.28 2.35 -2.65 0.00 0.00 178.83 179.98 1vlf h TRP 339 N 0.57 0.51 -0.49 3.99 2.91 -0.56 -1.36 115.95 121.53 1vlf h TRP 339 Ca 0.01 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.00 1vlf h TRP 339 Cb 1.13 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.60 1vlf h TRP 339 CO 0.08 0.29 0.15 0.00 -1.03 0.00 0.00 178.44 177.93 1vlf h ALA 340 N 1.22 0.65 0.00 2.65 0.00 -1.23 -3.24 119.26 119.29 1vlf h ALA 340 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vlf h ALA 340 Cb 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1vlf h ALA 340 CO -0.09 0.31 -0.36 0.36 0.00 0.00 0.00 179.25 179.46 1vlf n LYS 341 N -4.50 0.04 -4.27 0.00 2.85 -1.00 -4.90 118.16 106.37 1vlf n LYS 341 Ca 0.01 0.01 -0.25 0.00 -1.05 0.00 0.00 58.31 57.04 1vlf n LYS 341 Cb 0.20 -1.53 -0.08 0.00 -0.65 0.00 0.00 35.03 32.97 1vlf n LYS 341 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1vlf s LYS 342 N -3.02 2.23 -0.60 -1.58 -0.14 -0.53 -5.04 119.74 111.07 1vlf s LYS 342 Ca 0.11 -1.29 -0.27 0.00 -1.36 0.00 0.00 55.97 53.17 1vlf s LYS 342 Cb 0.17 -2.21 -0.02 0.00 -1.68 0.00 0.00 37.83 34.10 1vlf s LYS 342 CO 0.65 0.41 1.84 -0.80 -0.76 0.00 0.00 175.35 176.70 1vlf s ASN 343 N -3.18 5.33 -0.12 2.83 0.01 -1.26 -4.82 114.94 113.73 1vlf s ASN 343 Ca 0.28 0.38 -0.00 0.00 -0.71 0.00 0.00 52.86 52.81 1vlf s ASN 343 Cb -0.08 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 1vlf s ASN 343 CO 0.18 -2.33 -0.10 -0.89 -1.51 0.00 0.00 177.10 172.45 1vlf s THR 344 N 8.88 3.36 -0.14 1.60 2.01 -1.05 -1.53 115.64 128.77 1vlf s THR 344 Ca 0.67 -0.57 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 1vlf s THR 344 Cb -0.13 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1vlf s THR 344 CO 0.21 0.54 0.04 -0.31 -0.69 0.00 0.00 174.62 174.41 1vlf s TYR 345 N 0.04 3.24 -0.39 4.92 1.51 -0.56 -3.81 117.35 122.30 1vlf s TYR 345 Ca -0.03 0.12 -0.19 0.00 -1.01 0.00 0.00 57.07 55.97 1vlf s TYR 345 Cb -0.14 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.77 1vlf s TYR 345 CO 0.04 0.30 0.53 -1.17 -1.11 0.00 0.00 175.55 174.14 1vlf s LEU 346 N -0.21 4.49 -1.14 -1.29 2.96 0.01 -1.66 118.68 121.83 1vlf s LEU 346 Ca 0.07 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 53.67 1vlf s LEU 346 Cb -0.12 -2.58 0.26 0.00 0.50 0.00 0.00 46.19 44.24 1vlf s LEU 346 CO 0.02 -0.58 1.41 0.00 -1.32 0.00 0.00 176.35 175.88 1vlf n ALA 347 N 5.85 4.68 -2.64 5.97 0.00 0.75 -0.68 120.51 134.45 1vlf n ALA 347 Ca -0.04 -4.60 -0.42 0.00 0.00 0.00 0.00 53.44 48.37 1vlf n ALA 347 Cb 0.48 -2.59 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 1vlf n ALA 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vlf s ALA 348 N -1.14 3.60 0.05 0.00 0.00 -1.26 -1.23 121.76 121.77 1vlf s ALA 348 Ca 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1vlf s ALA 348 Cb -0.01 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1vlf s ALA 348 CO 0.01 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.04 1vlf n GLY 349 N 3.81 -2.34 0.12 0.00 0.00 -0.63 -0.72 105.19 105.43 1vlf n GLY 349 Ca 0.08 -1.44 0.13 0.00 0.00 0.00 0.00 46.02 44.78 1vlf n GLY 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vlf h GLY 350 N -0.11 0.00 0.00 -0.02 0.00 -1.72 -3.35 103.07 97.87 1vlf h GLY 350 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.99 1vlf h GLY 350 CO 0.01 0.00 -2.30 -0.10 0.00 0.00 0.00 176.54 174.14 1vlf n LEU 351 N -2.37 0.00 0.00 3.11 7.94 -1.26 -3.80 117.00 120.61 1vlf n LEU 351 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1vlf n LEU 351 Cb 0.45 0.44 0.00 0.00 0.53 0.00 0.00 43.42 44.84 1vlf n LEU 351 CO 0.31 0.44 0.00 0.61 -1.11 0.00 0.00 177.39 177.64 1vlf n GLY 352 N 1.76 0.78 0.00 -3.96 0.00 -1.24 -4.53 105.19 97.99 1vlf n GLY 352 Ca -0.29 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1vlf n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vlf n GLY 353 N 0.00 -0.79 7.00 -0.02 0.00 0.10 -4.16 105.19 107.32 1vlf n GLY 353 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.76 1vlf n GLY 353 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1vlf n TRP 354 N -0.68 -0.01 0.00 1.61 8.01 -1.26 -3.73 117.44 121.38 1vlf n TRP 354 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1vlf n TRP 354 Cb 0.00 0.06 0.00 0.00 -2.01 0.00 0.00 31.31 29.36 1vlf n TRP 354 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1vlf n GLY 355 N 0.00 2.16 0.29 6.99 0.00 -1.26 -4.03 105.19 109.34 1vlf n GLY 355 Ca 0.00 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.65 1vlf n GLY 355 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vlf h GLY 356 N 0.00 0.00 2.00 -0.02 0.00 -1.95 -1.80 103.07 101.30 1vlf h GLY 356 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1vlf h GLY 356 CO 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.51 1vlf h ALA 357 N 1.95 1.30 0.00 3.60 0.00 -1.88 -2.50 119.26 121.74 1vlf h ALA 357 Ca 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vlf h ALA 357 Cb 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1vlf h ALA 357 CO -0.00 0.04 -0.00 0.00 0.00 0.00 0.00 179.25 179.29 1vlf n ARG 359 N -3.10 2.73 -3.99 0.00 1.85 -0.94 0.60 116.66 113.81 1vlf n ARG 359 Ca 0.02 -4.63 -0.10 0.00 -1.00 0.00 0.00 57.85 52.14 1vlf n ARG 359 Cb 0.43 -2.30 -0.04 0.00 -1.05 0.00 0.00 32.46 29.49 1vlf n ARG 359 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1vlf s ALA 360 N -2.36 -0.16 0.18 2.89 0.00 -1.25 -1.54 121.76 119.53 1vlf s ALA 360 Ca 0.36 -0.95 0.34 0.00 0.00 0.00 0.00 51.96 51.71 1vlf s ALA 360 Cb 0.10 1.04 1.71 0.00 0.00 0.00 0.00 23.12 25.98 1vlf s ALA 360 CO -0.02 -0.86 2.02 0.66 0.00 0.00 0.00 175.76 177.56 1vlf h SER 361 N 2.19 0.00 -0.34 0.00 4.64 -1.85 -0.68 113.55 117.51 1vlf h SER 361 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1vlf h SER 361 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1vlf h SER 361 CO 0.36 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.32 1vlf n HIS 362 N -2.74 0.74 -0.36 4.77 1.44 -1.26 -4.50 115.22 113.31 1vlf n HIS 362 Ca -0.01 -0.65 0.08 0.00 -2.01 0.00 0.00 57.72 55.13 1vlf n HIS 362 Cb 0.12 -0.15 0.26 0.00 0.12 0.00 0.00 29.99 30.33 1vlf n HIS 362 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 1vlf h GLY 363 N 2.13 1.67 0.76 -1.39 0.00 -1.19 -0.69 103.07 104.37 1vlf h GLY 363 Ca 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1vlf h GLY 363 CO 0.10 0.11 -0.00 -2.22 0.00 0.00 0.00 176.54 174.53 1vlf h ILE 364 N 0.94 1.19 0.00 2.60 2.04 -1.81 -1.91 117.51 120.56 1vlf h ILE 364 Ca 0.52 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 1vlf h ILE 364 Cb 0.58 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1vlf h ILE 364 CO -0.29 0.15 -0.31 -0.33 0.00 0.00 0.00 178.15 177.36 1vlf h GLU 365 N -0.25 0.00 -0.12 2.37 4.39 -1.83 -1.98 114.58 117.16 1vlf h GLU 365 Ca -0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1vlf h GLU 365 Cb 0.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1vlf h GLU 365 CO 0.00 0.31 -0.13 2.35 -1.16 0.00 0.00 179.01 180.39 1vlf h TRP 366 N 0.00 0.36 -0.29 4.33 7.01 -1.02 -0.56 115.95 125.79 1vlf h TRP 366 Ca -0.00 -0.11 0.01 0.00 2.11 0.00 0.00 58.89 60.90 1vlf h TRP 366 Cb 0.75 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.71 1vlf h TRP 366 CO 0.00 0.71 0.16 0.00 -2.79 0.00 0.00 178.44 176.53 1vlf h ALA 367 N 0.59 0.36 0.00 2.65 0.00 -1.19 -0.35 119.26 121.32 1vlf h ALA 367 Ca 0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1vlf h ALA 367 Cb 0.65 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1vlf h ALA 367 CO 0.03 -0.21 -0.29 0.00 0.00 0.00 0.00 179.25 178.78 1vlf h ARG 368 N 0.34 0.00 -0.33 0.00 3.08 -1.38 -2.17 114.38 113.92 1vlf h ARG 368 Ca 0.11 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.00 1vlf h ARG 368 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1vlf h ARG 368 CO -0.06 0.29 -0.43 0.78 -1.07 0.00 0.00 179.97 179.48 1vlf h GLY 369 N 1.26 0.92 1.02 0.04 0.00 -0.29 -0.27 103.07 105.76 1vlf h GLY 369 Ca -0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 47.33 46.28 1vlf h GLY 369 CO 0.04 0.88 0.05 -0.33 0.00 0.00 0.00 176.54 177.17 1vlf h MET 370 N 0.68 0.92 -0.65 4.80 2.86 -0.65 -2.04 114.93 120.85 1vlf h MET 370 Ca 0.05 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.35 1vlf h MET 370 Cb 1.01 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.55 1vlf h MET 370 CO 0.10 0.91 0.14 0.82 1.06 0.00 0.00 176.91 179.94 1vlf h ILE 371 N 0.80 1.26 -0.29 -1.22 2.04 -1.31 -1.81 117.51 116.98 1vlf h ILE 371 Ca 0.16 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 65.05 1vlf h ILE 371 Cb 0.47 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1vlf h ILE 371 CO 0.02 0.37 0.17 0.00 0.00 0.00 0.00 178.15 178.71 1vlf h ALA 372 N 1.05 0.36 -0.20 1.87 0.00 -0.78 0.05 119.26 121.61 1vlf h ALA 372 Ca 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1vlf h ALA 372 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1vlf h ALA 372 CO 0.01 -0.20 -0.01 -0.07 0.00 0.00 0.00 179.25 178.98 1vlf h LEU 373 N 0.35 0.35 -1.29 0.00 4.07 -1.28 -0.96 115.31 116.56 1vlf h LEU 373 Ca 0.11 -0.32 -0.02 0.00 0.08 0.00 0.00 57.88 57.73 1vlf h LEU 373 Cb -0.00 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.61 1vlf h LEU 373 CO -0.05 0.59 0.25 0.00 -1.08 0.00 0.00 178.44 178.14 1vlf h ALA 374 N 0.78 1.45 -0.06 1.53 0.00 -1.23 -2.45 119.26 119.27 1vlf h ALA 374 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1vlf h ALA 374 Cb 0.41 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1vlf h ALA 374 CO 0.01 0.44 -0.02 1.15 0.00 0.00 0.00 179.25 180.83 1vlf h THR 375 N 0.74 1.30 -0.14 0.00 2.02 -0.82 -1.40 112.91 114.60 1vlf h THR 375 Ca 0.18 -0.95 0.04 0.00 0.77 0.00 0.00 66.41 66.46 1vlf h THR 375 Cb 0.09 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1vlf h THR 375 CO -0.02 0.26 0.11 0.24 0.37 0.00 0.00 175.52 176.48 1vlf h MET 376 N -0.23 0.00 -0.38 6.66 2.07 -0.89 0.15 114.93 122.30 1vlf h MET 376 Ca 0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1vlf h MET 376 Cb 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.15 1vlf h MET 376 CO 0.01 0.00 0.00 1.04 1.07 0.00 0.00 176.91 179.03 1vlf n GLN 377 N -4.28 2.10 -2.43 1.72 1.13 -0.95 -0.86 117.38 113.80 1vlf n GLN 377 Ca 0.00 -1.69 -0.07 0.00 -1.94 0.00 0.00 57.00 53.31 1vlf n GLN 377 Cb 0.24 -1.41 0.03 0.00 0.11 0.00 0.00 30.24 29.21 1vlf n GLN 377 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vlf n GLY 378 N 1.29 0.03 3.71 1.08 0.00 0.04 -4.78 105.19 106.55 1vlf n GLY 378 Ca 0.17 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1vlf n GLY 378 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1vlf n MET 379 N -2.32 2.24 0.00 1.61 0.00 -0.54 -2.91 117.12 115.19 1vlf n MET 379 Ca -0.07 0.79 0.00 0.00 0.00 0.00 0.00 57.70 58.42 1vlf n MET 379 Cb 0.56 -2.43 0.00 0.00 0.00 0.00 0.00 33.22 31.35 1vlf n MET 379 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vlf n GLY 380 N 1.25 1.55 3.85 3.17 0.00 -0.25 -4.47 105.19 110.29 1vlf n GLY 380 Ca 0.06 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1vlf n GLY 380 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vlf s LYS 381 N 0.00 3.71 0.14 1.61 -2.85 -1.14 -3.81 119.74 117.40 1vlf s LYS 381 Ca 0.00 0.88 -0.35 0.00 -1.00 0.00 0.00 55.97 55.50 1vlf s LYS 381 Cb 0.00 -2.10 -0.15 0.00 -2.06 0.00 0.00 37.83 33.52 1vlf s LYS 381 CO 0.00 -0.47 1.49 -2.30 0.10 0.00 0.00 175.35 174.17 1vlf n PRO 382 N -2.19 1.82 -0.92 1.78 -0.02 -1.26 -1.80 135.00 132.41 1vlf n PRO 382 Ca 0.06 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1vlf n PRO 382 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1vlf n PRO 382 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vlf n GLY 383 N 3.07 0.70 2.98 -1.23 0.00 -1.26 -5.00 105.19 104.44 1vlf n GLY 383 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1vlf n GLY 383 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vlf s SER 384 N -2.38 0.38 0.06 1.61 0.15 -0.75 -2.52 113.70 110.25 1vlf s SER 384 Ca 0.00 0.40 -0.26 0.00 0.70 0.00 0.00 55.95 56.79 1vlf s SER 384 Cb 0.00 0.92 0.09 0.00 -1.71 0.00 0.00 66.02 65.32 1vlf s SER 384 CO 0.00 -0.27 1.18 0.21 1.20 0.00 0.00 173.24 175.56 1vlf s ASN 385 N 2.49 -0.02 -0.34 5.45 3.84 -1.25 -1.09 114.94 124.02 1vlf s ASN 385 Ca 0.06 -0.36 -0.14 0.00 0.21 0.00 0.00 52.86 52.62 1vlf s ASN 385 Cb -0.14 0.29 -0.02 0.00 -0.55 0.00 0.00 41.25 40.84 1vlf s ASN 385 CO -0.13 -0.57 0.30 -0.32 -2.79 0.00 0.00 177.10 173.60 1vlf s MET 386 N -2.23 3.56 -0.18 0.43 -2.45 -1.26 -0.81 119.30 116.36 1vlf s MET 386 Ca 0.23 -0.51 -0.09 0.00 -1.25 0.00 0.00 55.69 54.07 1vlf s MET 386 Cb -0.00 -3.80 0.07 0.00 1.25 0.00 0.00 34.83 32.35 1vlf s MET 386 CO 0.01 -0.47 0.42 -0.46 1.05 0.00 0.00 175.02 175.57 1vlf s TRP 387 N 1.88 -0.67 -2.02 4.11 -0.00 0.15 -4.89 118.94 117.50 1vlf s TRP 387 Ca 0.09 1.37 0.23 0.00 -0.00 0.00 0.00 56.10 57.79 1vlf s TRP 387 Cb -0.17 0.29 0.65 0.00 -0.00 0.00 0.00 33.47 34.23 1vlf s TRP 387 CO 0.11 -0.38 1.54 0.43 -0.00 0.00 0.00 176.95 178.65 1vlf n SER 388 N 4.55 3.94 0.00 5.86 7.64 -1.26 -3.09 113.62 131.26 1vlf n SER 388 Ca -0.20 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.68 1vlf n SER 388 Cb 0.54 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1vlf n SER 388 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1vlf n THR 389 N 1.66 0.00 -0.08 0.44 -2.24 -1.26 -4.84 114.28 107.95 1vlf n THR 389 Ca 0.25 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.89 1vlf n THR 389 Cb 0.62 -0.36 -0.14 0.00 -2.10 0.00 0.00 70.33 68.35 1vlf n THR 389 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1vlf n THR 390 N -2.17 1.50 -3.46 4.28 -2.24 -1.26 -4.88 114.28 106.04 1vlf n THR 390 Ca 0.00 -0.75 -0.11 0.00 -2.27 0.00 0.00 64.05 60.92 1vlf n THR 390 Cb 0.10 -0.96 0.01 0.00 -2.10 0.00 0.00 70.33 67.38 1vlf n THR 390 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vlf n GLN 391 N -3.02 1.00 -0.25 -0.78 6.02 -1.26 -4.17 117.38 114.92 1vlf n GLN 391 Ca -0.34 -1.61 0.00 0.00 -0.01 0.00 0.00 57.00 55.05 1vlf n GLN 391 Cb 1.08 0.08 0.00 0.00 1.02 0.00 0.00 30.24 32.42 1vlf n GLN 391 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vlf n GLY 392 N 1.73 0.63 3.76 1.08 0.00 -1.22 -4.40 105.19 106.76 1vlf n GLY 392 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1vlf n GLY 392 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vlf s VAL 393 N -2.50 2.18 -0.37 1.61 1.01 -1.18 -2.32 120.40 118.83 1vlf s VAL 393 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 1vlf s VAL 393 Cb 0.00 -3.10 -0.13 0.00 0.00 0.00 0.00 36.38 33.15 1vlf s VAL 393 CO 0.00 0.03 2.40 -2.65 0.00 0.00 0.00 175.10 174.88 1vlf n PRO 394 N 1.64 1.66 -2.00 2.72 -0.02 -1.26 -4.64 135.00 133.09 1vlf n PRO 394 Ca 0.05 -0.97 -0.28 0.00 -2.02 0.00 0.00 63.50 60.28 1vlf n PRO 394 Cb 0.39 -2.07 0.07 0.00 -0.02 0.00 0.00 33.50 31.87 1vlf n PRO 394 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1vlf s LEU 395 N 0.04 2.71 -0.84 2.45 1.43 -1.26 -4.80 118.68 118.41 1vlf s LEU 395 Ca 0.43 0.78 -0.25 0.00 -1.03 0.00 0.00 54.13 54.06 1vlf s LEU 395 Cb 0.17 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 43.00 1vlf s LEU 395 CO -0.01 -1.65 1.63 -0.62 0.23 0.00 0.00 176.35 175.93 1vlf s ASP 396 N -4.50 5.80 0.38 2.29 3.68 -1.26 -4.81 116.67 118.25 1vlf s ASP 396 Ca 0.60 -0.64 0.28 0.00 2.13 0.00 0.00 52.55 54.92 1vlf s ASP 396 Cb -0.11 -2.56 1.23 0.00 -1.45 0.00 0.00 42.92 40.03 1vlf s ASP 396 CO 0.48 -2.10 1.83 1.88 0.13 0.00 0.00 175.17 177.40 1vlf h TYR 397 N 11.34 0.00 0.00 -5.34 0.99 -1.96 -2.85 116.97 119.16 1vlf h TYR 397 Ca -0.03 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.64 1vlf h TYR 397 Cb 1.05 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.77 1vlf h TYR 397 CO 1.18 0.00 -0.28 0.93 -0.00 0.00 0.00 178.16 179.99 1vlf h GLU 398 N 0.00 0.00 -6.53 4.88 5.08 -2.01 -3.44 114.58 112.56 1vlf h GLU 398 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1vlf h GLU 398 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1vlf h GLU 398 CO 0.00 0.28 0.50 0.12 -1.00 0.00 0.00 179.01 178.91 1vlf s PHE 399 N -3.12 3.52 -0.23 4.33 5.36 -1.08 -5.01 117.98 121.76 1vlf s PHE 399 Ca 0.05 1.46 -0.07 0.00 -0.96 0.00 0.00 56.93 57.41 1vlf s PHE 399 Cb 0.07 -3.32 -0.03 0.00 -0.34 0.00 0.00 43.02 39.39 1vlf s PHE 399 CO 0.70 -0.86 0.06 -0.47 -1.46 0.00 0.00 175.22 173.20 1vlf s TYR 400 N 0.62 3.11 -0.12 10.12 5.04 -1.26 -5.04 117.35 129.82 1vlf s TYR 400 Ca 0.55 -0.31 -0.05 0.00 -2.44 0.00 0.00 57.07 54.82 1vlf s TYR 400 Cb -0.28 -2.19 0.06 0.00 0.35 0.00 0.00 41.96 39.90 1vlf s TYR 400 CO 0.31 -0.23 0.25 0.12 -1.34 0.00 0.00 175.55 174.65 1vlf s PHE 401 N 1.28 -0.37 0.45 4.97 5.36 -1.26 -1.59 117.98 126.82 1vlf s PHE 401 Ca 0.05 0.88 -0.25 0.00 -0.96 0.00 0.00 56.93 56.64 1vlf s PHE 401 Cb -0.15 -0.04 -0.08 0.00 -0.34 0.00 0.00 43.02 42.41 1vlf s PHE 401 CO 0.03 -0.31 1.41 -2.14 -1.46 0.00 0.00 175.22 172.75 1vlf s PRO 402 N 2.09 3.72 0.66 10.12 0.02 -1.26 -5.05 135.00 145.30 1vlf s PRO 402 Ca -0.01 2.37 -0.02 0.00 0.02 0.00 0.00 61.00 63.36 1vlf s PRO 402 Cb -0.12 -2.66 0.08 0.00 0.02 0.00 0.00 34.50 31.82 1vlf s PRO 402 CO -0.08 -0.78 0.93 0.20 -0.33 0.00 0.00 177.00 176.94 1vlf s GLY 403 N -0.55 1.77 0.49 0.52 0.00 -1.26 -4.78 107.32 103.51 1vlf s GLY 403 Ca 0.61 -1.33 0.26 0.00 0.00 0.00 0.00 44.72 44.26 1vlf s GLY 403 CO 0.55 -0.90 1.97 0.10 0.00 0.00 0.00 173.10 174.82 1vlf h TYR 404 N -0.37 0.00 0.00 1.90 -0.00 -1.22 -2.76 116.97 114.52 1vlf h TYR 404 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.32 1vlf h TYR 404 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.02 1vlf h TYR 404 CO 0.12 0.17 0.00 0.00 -0.00 0.00 0.00 178.16 178.45 1vlf n ALA 405 N -2.25 1.86 1.46 0.10 0.00 -0.53 -3.12 120.51 118.04 1vlf n ALA 405 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1vlf n ALA 405 Cb 0.32 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.51 1vlf n ALA 405 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vlf n GLU 406 N -1.47 1.23 0.00 0.00 1.02 -1.04 -0.22 120.64 120.16 1vlf n GLU 406 Ca 0.05 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1vlf n GLU 406 Cb 0.21 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1vlf n GLU 406 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vlf n GLY 407 N 0.43 2.95 7.00 0.62 0.00 -1.18 -2.96 105.19 112.05 1vlf n GLY 407 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1vlf n GLY 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vlf n GLY 408 N -2.00 3.19 0.14 -0.02 0.00 -1.26 -1.47 105.19 103.77 1vlf n GLY 408 Ca 0.00 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1vlf n GLY 408 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vlf n ILE 409 N 0.00 0.02 0.05 -0.61 -5.35 -1.26 -3.96 119.36 108.25 1vlf n ILE 409 Ca 0.00 -0.08 -0.22 0.00 -0.27 0.00 0.00 62.75 62.18 1vlf n ILE 409 Cb 0.00 -0.17 -0.14 0.00 -1.74 0.00 0.00 39.64 37.58 1vlf n ILE 409 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1vlf h SER 410 N 0.63 0.51 -1.10 7.28 4.64 -1.32 -3.43 113.55 120.75 1vlf h SER 410 Ca 0.00 -0.90 -0.29 0.00 -0.47 0.00 0.00 61.79 60.13 1vlf h SER 410 Cb 0.14 -0.16 -0.08 0.00 -0.31 0.00 0.00 62.40 61.98 1vlf h SER 410 CO 0.00 1.64 -0.30 0.61 -0.87 0.00 0.00 176.83 177.92 1vlf n GLY 411 N 1.76 0.95 3.55 -0.77 0.00 -1.25 -0.18 105.19 109.26 1vlf n GLY 411 Ca -0.23 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 1vlf n GLY 411 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vlf s ASP 412 N -2.70 5.67 0.02 1.61 -1.08 -1.26 -4.64 116.67 114.28 1vlf s ASP 412 Ca 0.00 -0.00 0.20 0.00 -0.52 0.00 0.00 52.55 52.23 1vlf s ASP 412 Cb 0.00 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.78 1vlf s ASP 412 CO 0.00 -2.13 1.65 0.00 0.52 0.00 0.00 175.17 175.20 1vlf n GLU 414 N -1.55 0.77 -0.07 0.00 2.13 -1.26 -4.54 120.64 116.12 1vlf n GLU 414 Ca 0.05 -0.12 0.03 0.00 0.66 0.00 0.00 57.16 57.78 1vlf n GLU 414 Cb 0.24 -1.41 0.07 0.00 0.27 0.00 0.00 31.44 30.60 1vlf n GLU 414 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1vlf n ASN 415 N -2.25 2.22 -3.91 4.31 3.02 -1.22 -5.00 115.26 112.43 1vlf n ASN 415 Ca -0.10 -1.77 -0.11 0.00 -0.03 0.00 0.00 54.58 52.56 1vlf n ASN 415 Cb 0.62 -0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 39.63 1vlf n ASN 415 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1vlf s SER 416 N -0.86 0.22 -0.17 6.41 1.04 -0.96 -5.02 113.70 114.36 1vlf s SER 416 Ca 0.11 -1.21 0.06 0.00 0.48 0.00 0.00 55.95 55.40 1vlf s SER 416 Cb 0.06 0.53 0.45 0.00 0.10 0.00 0.00 66.02 67.16 1vlf s SER 416 CO 0.09 -1.07 1.31 0.00 0.98 0.00 0.00 173.24 174.55 1vlf n ALA 417 N -0.39 3.59 0.02 5.32 0.00 0.70 -4.44 120.51 125.31 1vlf n ALA 417 Ca 0.00 -1.27 0.10 0.00 0.00 0.00 0.00 53.44 52.28 1vlf n ALA 417 Cb 0.63 -1.13 0.54 0.00 0.00 0.00 0.00 19.45 19.49 1vlf n ALA 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vlf h ALA 418 N 2.66 2.00 0.00 0.00 0.00 -1.72 -2.42 119.26 119.79 1vlf h ALA 418 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vlf h ALA 418 Cb 1.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1vlf h ALA 418 CO 0.39 -0.08 0.00 0.78 0.00 0.00 0.00 179.25 180.34 1vlf h GLY 419 N 0.30 0.00 0.60 0.00 0.00 -1.80 -0.29 103.07 101.89 1vlf h GLY 419 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1vlf h GLY 419 CO -0.04 0.00 -0.03 -2.75 0.00 0.00 0.00 176.54 173.72 1vlf h PHE 420 N 0.00 0.12 0.00 5.60 3.57 -1.80 -3.47 116.94 120.96 1vlf h PHE 420 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1vlf h PHE 420 Cb 0.22 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1vlf h PHE 420 CO 0.00 0.53 0.00 1.17 -2.23 0.00 0.00 178.31 177.78 1vlf n LYS 421 N -4.79 0.00 -0.15 1.11 4.81 -1.19 -5.00 118.16 112.95 1vlf n LYS 421 Ca -0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.33 1vlf n LYS 421 Cb 0.26 -0.04 0.06 0.00 0.02 0.00 0.00 35.03 35.34 1vlf n LYS 421 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1vlf h PHE 422 N 0.00 0.18 -0.76 5.64 3.57 -1.83 -2.46 116.94 121.28 1vlf h PHE 422 Ca 0.00 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.67 1vlf h PHE 422 Cb 0.00 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 38.64 1vlf h PHE 422 CO 0.00 0.02 0.32 0.00 -2.23 0.00 0.00 178.31 176.41 1vlf h ALA 423 N 1.36 1.08 0.00 2.41 0.00 -1.31 0.46 119.26 123.26 1vlf h ALA 423 Ca 0.24 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1vlf h ALA 423 Cb 0.30 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1vlf h ALA 423 CO -0.30 -0.19 -0.12 -1.49 0.00 0.00 0.00 179.25 177.15 1vlf h TRP 424 N 0.47 0.00 0.09 0.00 4.06 -1.65 -1.40 115.95 117.52 1vlf h TRP 424 Ca 0.41 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 61.03 1vlf h TRP 424 Cb 0.61 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.75 1vlf h TRP 424 CO -0.15 0.12 -1.80 0.00 -3.56 0.00 0.00 178.44 173.05 1vlf h ARG 425 N 0.00 0.20 0.04 0.49 3.08 -0.58 -3.40 114.38 114.22 1vlf h ARG 425 Ca -0.00 -0.34 -0.24 0.00 0.07 0.00 0.00 59.98 59.48 1vlf h ARG 425 Cb 0.24 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1vlf h ARG 425 CO 0.02 1.00 -1.03 1.98 -1.07 0.00 0.00 179.97 180.87 1vlf h MET 426 N 0.05 0.34 -6.45 0.04 4.05 0.04 -3.44 114.93 109.56 1vlf h MET 426 Ca -0.34 -0.42 -0.68 0.00 -0.28 0.00 0.00 59.70 57.98 1vlf h MET 426 Cb 2.03 0.13 -0.18 0.00 -0.80 0.00 0.00 31.60 32.78 1vlf h MET 426 CO 0.11 1.12 -0.75 -0.06 0.23 0.00 0.00 176.91 177.56 1vlf s PHE 427 N -3.07 2.74 -0.45 1.39 0.40 -0.55 -4.97 117.98 113.46 1vlf s PHE 427 Ca -0.05 -0.14 0.04 0.00 -0.60 0.00 0.00 56.93 56.18 1vlf s PHE 427 Cb 0.08 -1.52 0.06 0.00 0.51 0.00 0.00 43.02 42.16 1vlf s PHE 427 CO 0.87 0.34 0.80 -0.40 0.70 0.00 0.00 175.22 177.53 1vlf n ASP 428 N 1.35 1.70 -1.94 1.36 5.68 -1.25 -4.73 116.55 118.71 1vlf n ASP 428 Ca -0.15 -1.47 -0.19 0.00 -0.50 0.00 0.00 54.79 52.48 1vlf n ASP 428 Cb 0.52 -0.03 -0.05 0.00 -1.14 0.00 0.00 41.12 40.42 1vlf n ASP 428 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vlf n GLY 429 N 0.10 0.78 1.77 6.12 0.00 -1.25 -4.73 105.19 107.99 1vlf n GLY 429 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1vlf n GLY 429 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vlf n LYS 430 N -2.59 0.00 -0.00 1.61 5.02 -1.26 -4.98 118.16 115.96 1vlf n LYS 430 Ca -0.21 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.10 1vlf n LYS 430 Cb 0.65 -0.12 -0.02 0.00 -0.02 0.00 0.00 35.03 35.52 1vlf n LYS 430 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1vlf n THR 431 N -2.84 0.00 -4.03 -0.18 -2.24 -1.26 -5.03 114.28 98.70 1vlf n THR 431 Ca 0.00 -0.10 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 1vlf n THR 431 Cb 0.09 0.48 -0.15 0.00 -2.10 0.00 0.00 70.33 68.65 1vlf n THR 431 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1vlf s THR 432 N -2.13 0.25 0.09 4.28 -1.32 -1.26 -5.08 115.64 110.47 1vlf s THR 432 Ca -0.01 -0.08 0.06 0.00 -1.21 0.00 0.00 61.69 60.45 1vlf s THR 432 Cb 0.02 -0.25 -0.03 0.00 -1.51 0.00 0.00 72.50 70.73 1vlf s THR 432 CO 0.12 0.10 -0.15 -0.36 -2.21 0.00 0.00 174.62 172.11 1vlf s PHE 433 N 0.24 1.37 0.97 9.09 0.40 -1.26 -3.81 117.98 124.97 1vlf s PHE 433 Ca -0.02 -0.48 -0.12 0.00 -0.60 0.00 0.00 56.93 55.71 1vlf s PHE 433 Cb -0.05 -0.75 0.17 0.00 0.51 0.00 0.00 43.02 42.90 1vlf s PHE 433 CO -0.01 0.11 1.11 -2.14 0.70 0.00 0.00 175.22 174.99 1vlf s PRO 434 N -2.03 0.66 -0.50 0.24 0.02 -1.26 -4.99 135.00 127.14 1vlf s PRO 434 Ca 0.03 0.43 0.03 0.00 0.02 0.00 0.00 61.00 61.51 1vlf s PRO 434 Cb -0.09 -1.77 0.14 0.00 0.02 0.00 0.00 34.50 32.81 1vlf s PRO 434 CO 0.03 -2.55 0.29 0.45 -0.33 0.00 0.00 177.00 174.89 1vlf s SER 435 N -3.66 3.78 0.71 2.53 0.15 0.75 -5.01 113.70 112.96 1vlf s SER 435 Ca 0.65 -2.94 -0.11 0.00 0.70 0.00 0.00 55.95 54.25 1vlf s SER 435 Cb -0.17 -1.20 0.02 0.00 -1.71 0.00 0.00 66.02 62.96 1vlf s SER 435 CO 0.56 -0.22 1.08 -2.84 1.20 0.00 0.00 173.24 173.02 1vlf s PRO 436 N -0.09 2.80 -0.09 5.44 0.02 -1.26 -4.56 135.00 137.26 1vlf s PRO 436 Ca 0.20 0.60 0.03 0.00 0.02 0.00 0.00 61.00 61.85 1vlf s PRO 436 Cb -0.19 -2.00 0.01 0.00 0.02 0.00 0.00 34.50 32.33 1vlf s PRO 436 CO -0.04 -1.11 -0.18 0.45 -0.33 0.00 0.00 177.00 175.79 1vlf s SER 437 N -4.16 2.54 0.00 2.53 0.15 -1.26 -4.69 113.70 108.81 1vlf s SER 437 Ca 0.58 -0.45 0.22 0.00 0.70 0.00 0.00 55.95 57.00 1vlf s SER 437 Cb -0.12 -1.16 0.56 0.00 -1.71 0.00 0.00 66.02 63.59 1vlf s SER 437 CO 0.53 0.08 1.47 -0.46 1.20 0.00 0.00 173.24 176.07 1vlf n ASN 438 N 3.80 3.49 -0.04 5.45 6.94 -1.26 -4.27 115.26 129.36 1vlf n ASN 438 Ca -0.20 -1.98 -0.06 0.00 -0.02 0.00 0.00 54.58 52.31 1vlf n ASN 438 Cb 0.52 -0.38 -0.04 0.00 -2.36 0.00 0.00 39.78 37.52 1vlf n ASN 438 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1vlf n LEU 439 N 1.44 2.96 -3.80 -4.53 4.77 -1.26 -4.65 117.00 111.93 1vlf n LEU 439 Ca 0.21 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.72 1vlf n LEU 439 Cb 0.57 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1vlf n LEU 439 CO 0.15 0.65 2.26 -3.20 -1.33 0.00 0.00 177.39 175.92 1vlf n ASN 440 N -2.76 4.66 -3.81 -1.43 5.15 -1.26 -1.41 115.26 114.40 1vlf n ASN 440 Ca -0.16 -3.00 -0.10 0.00 -0.60 0.00 0.00 54.58 50.72 1vlf n ASN 440 Cb 0.67 -1.55 -0.05 0.00 -0.53 0.00 0.00 39.78 38.32 1vlf n ASN 440 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1vlf s THR 441 N 1.46 0.05 0.32 -0.44 -1.32 -1.26 -4.84 115.64 109.61 1vlf s THR 441 Ca 0.43 -1.00 0.03 0.00 -1.21 0.00 0.00 61.69 59.94 1vlf s THR 441 Cb 0.12 -1.62 0.29 0.00 -1.51 0.00 0.00 72.50 69.77 1vlf s THR 441 CO -0.03 -0.23 1.91 0.28 -2.21 0.00 0.00 174.62 174.34 1vlf h SER 442 N 2.37 0.82 -0.01 8.08 0.02 -1.98 -1.32 113.55 121.54 1vlf h SER 442 Ca -0.31 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1vlf h SER 442 Cb 1.25 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1vlf h SER 442 CO 0.43 0.51 0.00 0.00 -1.14 0.00 0.00 176.83 176.63 1vlf n ALA 443 N -2.41 2.63 -1.98 3.77 0.00 -1.26 -4.78 120.51 116.48 1vlf n ALA 443 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1vlf n ALA 443 Cb 0.25 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1vlf n ALA 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vlf n GLY 444 N 1.07 1.04 2.87 0.00 0.00 -0.50 -5.03 105.19 104.65 1vlf n GLY 444 Ca 0.21 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 1vlf n GLY 444 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vlf s GLN 445 N 4.28 0.18 0.20 1.61 0.74 -0.50 -4.85 119.66 121.33 1vlf s GLN 445 Ca 0.00 -0.01 -0.15 0.00 0.05 0.00 0.00 55.36 55.25 1vlf s GLN 445 Cb 0.00 -0.26 0.01 0.00 1.10 0.00 0.00 33.01 33.87 1vlf s GLN 445 CO 0.00 -0.02 0.47 -3.38 -0.55 0.00 0.00 175.29 171.81 1vlf s HIS 446 N 0.34 0.06 0.06 1.67 -3.43 -1.26 -4.07 115.29 108.67 1vlf s HIS 446 Ca -0.03 -0.42 0.02 0.00 -0.80 0.00 0.00 55.06 53.83 1vlf s HIS 446 Cb -0.05 0.27 -0.03 0.00 -1.43 0.00 0.00 32.58 31.34 1vlf s HIS 446 CO -0.01 -0.89 -0.07 0.96 -2.00 0.00 0.00 174.74 172.73 1vlf s ILE 447 N -3.92 0.55 0.13 -5.38 -4.36 -0.94 -4.86 121.20 102.43 1vlf s ILE 447 Ca 0.13 -1.43 -0.30 0.00 -0.26 0.00 0.00 60.65 58.79 1vlf s ILE 447 Cb -0.00 -1.03 -0.07 0.00 1.25 0.00 0.00 42.46 42.60 1vlf s ILE 447 CO -0.00 -0.61 1.23 -2.84 0.24 0.00 0.00 174.94 172.95 1vlf s PRO 448 N -2.54 4.45 0.32 0.37 0.02 -1.26 -1.44 135.00 134.92 1vlf s PRO 448 Ca -0.01 1.87 0.05 0.00 0.02 0.00 0.00 61.00 62.93 1vlf s PRO 448 Cb -0.03 -3.28 0.68 0.00 0.02 0.00 0.00 34.50 31.89 1vlf s PRO 448 CO -0.02 -0.19 1.87 -0.09 -0.33 0.00 0.00 177.00 178.24 1vlf h ARG 449 N 5.97 0.82 0.00 5.54 2.43 -1.52 -0.53 114.38 127.10 1vlf h ARG 449 Ca -0.43 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1vlf h ARG 449 Cb 1.21 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1vlf h ARG 449 CO 0.78 0.54 0.00 1.28 -1.51 0.00 0.00 179.97 181.07 1vlf n LEU 450 N -4.56 0.64 -0.20 3.80 4.77 -1.26 -3.10 117.00 117.09 1vlf n LEU 450 Ca 0.17 0.68 0.08 0.00 -0.03 0.00 0.00 56.01 56.91 1vlf n LEU 450 Cb 0.37 -0.62 0.12 0.00 -2.33 0.00 0.00 43.42 40.95 1vlf n LEU 450 CO 0.30 -0.63 0.49 0.29 -1.33 0.00 0.00 177.39 176.51 1vlf n LYS 451 N -2.23 1.04 -0.24 3.23 4.76 -0.24 -4.78 118.16 119.70 1vlf n LYS 451 Ca 0.01 -2.31 0.02 0.00 -2.87 0.00 0.00 58.31 53.16 1vlf n LYS 451 Cb 0.19 -1.30 0.15 0.00 -1.84 0.00 0.00 35.03 32.23 1vlf n LYS 451 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1vlf h ILE 452 N 1.47 0.76 -0.48 -0.18 2.04 -1.40 -1.92 117.51 117.81 1vlf h ILE 452 Ca -0.00 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.73 1vlf h ILE 452 Cb 1.09 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1vlf h ILE 452 CO 0.00 0.09 0.24 -0.65 0.00 0.00 0.00 178.15 177.83 1vlf h PRO 453 N 0.50 0.46 -0.53 2.37 0.11 -1.86 -0.61 132.00 132.44 1vlf h PRO 453 Ca 0.36 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.38 1vlf h PRO 453 Cb 0.46 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1vlf h PRO 453 CO -0.32 0.30 0.07 0.93 -0.21 0.00 0.00 178.00 178.77 1vlf h GLU 454 N 0.47 0.84 -0.24 1.05 3.07 -1.79 0.06 114.58 118.03 1vlf h GLU 454 Ca 0.21 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 1vlf h GLU 454 Cb 0.12 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1vlf h GLU 454 CO -0.15 0.80 -0.08 0.00 -1.40 0.00 0.00 179.01 178.19 1vlf h ILE 456 N 0.22 1.29 0.00 0.00 2.04 -0.97 0.72 117.51 120.82 1vlf h ILE 456 Ca 0.06 -0.94 -0.21 0.00 1.00 0.00 0.00 64.86 64.77 1vlf h ILE 456 Cb 0.56 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 1vlf h ILE 456 CO 0.03 0.24 -1.05 0.24 0.00 0.00 0.00 178.15 177.61 1vlf h MET 457 N -0.42 0.00 0.00 2.37 2.86 -1.07 -3.35 114.93 115.32 1vlf h MET 457 Ca -0.00 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.40 1vlf h MET 457 Cb 0.41 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 1vlf h MET 457 CO 0.00 0.85 -1.85 0.41 1.06 0.00 0.00 176.91 177.38 1vlf n GLY 458 N 1.36 -1.07 2.19 8.32 0.00 0.12 -4.99 105.19 111.13 1vlf n GLY 458 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 1vlf n GLY 458 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vlf n GLY 459 N 1.53 0.48 3.59 -0.02 0.00 0.25 -4.99 105.19 106.03 1vlf n GLY 459 Ca -0.18 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 1vlf n GLY 459 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vlf s LYS 460 N -0.95 0.63 0.00 1.61 2.20 -1.25 -4.43 119.74 117.54 1vlf s LYS 460 Ca 0.00 0.29 -0.28 0.00 -0.36 0.00 0.00 55.97 55.62 1vlf s LYS 460 Cb 0.00 0.30 0.10 0.00 -1.51 0.00 0.00 37.83 36.72 1vlf s LYS 460 CO 0.00 -0.17 0.87 0.12 -0.36 0.00 0.00 175.35 175.81 1vlf s PHE 461 N -0.75 -0.36 -0.04 4.03 5.36 -0.59 -4.58 117.98 121.06 1vlf s PHE 461 Ca -0.01 0.22 -0.03 0.00 -0.96 0.00 0.00 56.93 56.15 1vlf s PHE 461 Cb -0.02 0.54 0.02 0.00 -0.34 0.00 0.00 43.02 43.22 1vlf s PHE 461 CO 0.01 -0.56 0.10 -1.14 -1.46 0.00 0.00 175.22 172.16 1vlf s GLN 462 N -3.14 0.09 0.31 10.12 -0.44 -1.26 -1.02 119.66 124.32 1vlf s GLN 462 Ca 0.05 0.21 -0.08 0.00 -2.50 0.00 0.00 55.36 53.04 1vlf s GLN 462 Cb -0.01 -0.05 0.03 0.00 -1.64 0.00 0.00 33.01 31.34 1vlf s GLN 462 CO -0.09 -0.07 0.55 -2.67 0.50 0.00 0.00 175.29 173.50 1vlf n TRP 463 N 3.49 -1.77 -4.75 1.67 2.14 -0.69 -5.01 117.44 112.52 1vlf n TRP 463 Ca -0.18 -1.72 -0.33 0.00 2.07 0.00 0.00 57.50 57.34 1vlf n TRP 463 Cb 0.56 0.64 -0.13 0.00 -0.81 0.00 0.00 31.31 31.56 1vlf n TRP 463 CO 0.00 0.00 0.00 -1.12 2.07 0.00 0.00 177.69 178.64 1vlf s SER 464 N -2.75 4.20 0.13 -0.67 0.01 -1.26 -1.04 113.70 112.32 1vlf s SER 464 Ca 0.18 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1vlf s SER 464 Cb -0.03 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.89 1vlf s SER 464 CO 0.13 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.65 1vlf n GLY 465 N 2.93 -2.95 3.14 3.44 0.00 0.14 -4.65 105.19 107.24 1vlf n GLY 465 Ca -0.18 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 1vlf n GLY 465 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vlf s LYS 466 N -3.86 2.35 3.78 1.61 2.20 -1.26 -4.90 119.74 119.66 1vlf s LYS 466 Ca 0.00 -1.31 0.00 0.00 -0.36 0.00 0.00 55.97 54.30 1vlf s LYS 466 Cb 0.00 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 1vlf s LYS 466 CO 0.00 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 174.78 1vlf n GLY 467 N 4.56 3.06 3.59 5.54 0.00 -1.26 -3.95 105.19 116.74 1vlf n GLY 467 Ca -0.13 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1vlf n GLY 467 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vlf s PHE 468 N 0.00 2.88 -1.12 1.61 0.40 -1.23 -4.46 117.98 116.06 1vlf s PHE 468 Ca 0.00 0.67 -0.04 0.00 -0.60 0.00 0.00 56.93 56.96 1vlf s PHE 468 Cb 0.00 -4.23 0.27 0.00 0.51 0.00 0.00 43.02 39.57 1vlf s PHE 468 CO 0.00 -1.17 1.77 0.00 0.70 0.00 0.00 175.22 176.52 1vlf n ALA 469 N 7.55 5.71 1.14 5.36 0.00 -1.25 -4.75 120.51 134.27 1vlf n ALA 469 Ca 0.10 -4.58 0.12 0.00 0.00 0.00 0.00 53.44 49.07 1vlf n ALA 469 Cb 0.49 -2.44 0.36 0.00 0.00 0.00 0.00 19.45 17.86 1vlf n ALA 469 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vlf n GLY 470 N 1.14 0.48 0.21 0.00 0.00 -1.26 -4.35 105.19 101.41 1vlf n GLY 470 Ca 0.39 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 1vlf n GLY 470 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vlf h GLY 471 N 4.89 0.74 -2.40 -0.02 0.00 -1.85 -2.93 103.07 101.49 1vlf h GLY 471 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1vlf h GLY 471 CO 0.00 0.41 0.07 -0.35 0.00 0.00 0.00 176.54 176.67 1vlf s ASP 472 N -5.99 -0.25 0.24 0.19 2.15 -1.26 -4.86 116.67 106.89 1vlf s ASP 472 Ca -0.13 -0.57 -0.05 0.00 0.43 0.00 0.00 52.55 52.23 1vlf s ASP 472 Cb 0.11 0.62 0.37 0.00 -0.30 0.00 0.00 42.92 43.72 1vlf s ASP 472 CO 0.77 -1.15 1.82 0.40 -0.17 0.00 0.00 175.17 176.84 1vlf h ILE 473 N 2.14 0.94 -0.16 4.11 2.04 -1.90 -2.96 117.51 121.72 1vlf h ILE 473 Ca -0.26 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1vlf h ILE 473 Cb 1.26 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1vlf h ILE 473 CO 0.33 0.15 0.00 -1.20 0.00 0.00 0.00 178.15 177.43 1vlf n SER 474 N -4.73 1.77 0.01 1.72 7.64 -1.26 -4.24 113.62 114.53 1vlf n SER 474 Ca 0.13 -1.71 0.01 0.00 1.01 0.00 0.00 58.87 58.32 1vlf n SER 474 Cb 0.25 -0.10 0.34 0.00 -1.01 0.00 0.00 64.21 63.69 1vlf n SER 474 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1vlf h HIS 475 N 2.40 0.51 0.00 1.43 3.86 -1.80 -1.77 115.15 119.78 1vlf h HIS 475 Ca 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1vlf h HIS 475 Cb 0.52 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1vlf h HIS 475 CO 0.10 0.46 0.00 -0.56 0.86 0.00 0.00 177.93 178.79 1vlf h GLN 476 N 0.50 0.00 0.00 2.45 3.07 -1.79 -2.57 115.11 116.77 1vlf h GLN 476 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.86 1vlf h GLN 476 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1vlf h GLN 476 CO -0.00 0.00 -0.41 1.28 0.09 0.00 0.00 178.83 179.79 1vlf n LEU 477 N -2.34 0.42 -4.76 0.06 4.77 -0.67 -1.66 117.00 112.82 1vlf n LEU 477 Ca 0.01 0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.70 1vlf n LEU 477 Cb 0.17 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1vlf n LEU 477 CO 0.17 0.10 0.99 -2.28 -1.33 0.00 0.00 177.39 175.04 1vlf s HIS 478 N -3.01 2.59 -0.15 -1.77 2.46 -0.97 -4.71 115.29 109.73 1vlf s HIS 478 Ca 0.11 1.36 -0.11 0.00 0.47 0.00 0.00 55.06 56.90 1vlf s HIS 478 Cb 0.18 -3.76 -0.05 0.00 -0.13 0.00 0.00 32.58 28.82 1vlf s HIS 478 CO 0.67 -2.50 0.20 -0.65 -2.47 0.00 0.00 174.74 169.99 1vlf s GLN 479 N -2.48 3.96 0.26 2.88 -1.52 -1.26 -0.69 119.66 120.81 1vlf s GLN 479 Ca 0.62 -0.05 0.07 0.00 -1.95 0.00 0.00 55.36 54.04 1vlf s GLN 479 Cb -0.40 -3.34 -0.05 0.00 -0.22 0.00 0.00 33.01 29.00 1vlf s GLN 479 CO 0.50 0.46 -0.08 0.71 -0.25 0.00 0.00 175.29 176.63 1vlf s TYR 480 N -0.15 1.89 0.06 0.91 1.51 -0.21 -4.97 117.35 116.40 1vlf s TYR 480 Ca 0.14 -0.66 -0.07 0.00 -1.01 0.00 0.00 57.07 55.47 1vlf s TYR 480 Cb -0.12 -1.02 -0.01 0.00 -0.11 0.00 0.00 41.96 40.69 1vlf s TYR 480 CO 0.03 0.30 0.13 -1.83 -1.11 0.00 0.00 175.55 173.07 1vlf s GLU 481 N -3.70 0.71 -0.05 -0.62 -1.05 -1.26 -1.70 118.70 111.03 1vlf s GLU 481 Ca 0.28 -0.91 0.01 0.00 -0.15 0.00 0.00 54.97 54.20 1vlf s GLU 481 Cb 0.02 0.28 0.02 0.00 -0.44 0.00 0.00 34.13 34.02 1vlf s GLU 481 CO 0.11 -0.20 -0.03 -0.47 0.95 0.00 0.00 175.26 175.62 1vlf s TYR 482 N -3.36 0.67 0.61 4.83 5.04 -0.19 -3.01 117.35 121.94 1vlf s TYR 482 Ca 0.01 -0.17 -0.16 0.00 -2.44 0.00 0.00 57.07 54.31 1vlf s TYR 482 Cb 0.03 -0.65 -0.03 0.00 0.35 0.00 0.00 41.96 41.66 1vlf s TYR 482 CO -0.08 -0.21 1.09 -1.25 -1.34 0.00 0.00 175.55 173.77 1vlf s PRO 483 N 1.12 3.10 0.46 4.97 0.04 -1.26 -1.54 135.00 141.89 1vlf s PRO 483 Ca -0.08 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.12 1vlf s PRO 483 Cb -0.14 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1vlf s PRO 483 CO -0.01 -1.01 1.07 0.00 0.04 0.00 0.00 177.00 177.09 1vlf s ALA 484 N -2.25 2.92 -0.39 8.56 0.00 -1.16 -4.88 121.76 124.56 1vlf s ALA 484 Ca 0.67 0.72 -0.42 0.00 0.00 0.00 0.00 51.96 52.92 1vlf s ALA 484 Cb -0.20 -3.29 -0.17 0.00 0.00 0.00 0.00 23.12 19.46 1vlf s ALA 484 CO 0.36 -0.40 1.80 -2.30 0.00 0.00 0.00 175.76 175.22 1vlf n PRO 485 N -0.68 0.61 0.00 0.00 -0.02 -1.26 -0.43 135.00 133.22 1vlf n PRO 485 Ca 0.08 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1vlf n PRO 485 Cb 0.51 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1vlf n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vlf n GLY 486 N 4.83 2.57 3.97 -1.23 0.00 -1.26 -5.04 105.19 109.04 1vlf n GLY 486 Ca 0.33 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.13 1vlf n GLY 486 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vlf s TYR 487 N -2.18 2.76 0.14 1.61 1.51 0.43 -5.10 117.35 116.52 1vlf s TYR 487 Ca 0.00 0.04 0.02 0.00 -1.01 0.00 0.00 57.07 56.12 1vlf s TYR 487 Cb 0.00 -2.85 -0.04 0.00 -0.11 0.00 0.00 41.96 38.96 1vlf s TYR 487 CO 0.00 -1.04 0.28 0.45 -1.11 0.00 0.00 175.55 174.13 1vlf s SER 488 N -4.47 6.35 0.79 2.29 0.15 -1.26 -4.66 113.70 112.89 1vlf s SER 488 Ca 0.59 0.21 -0.11 0.00 0.70 0.00 0.00 55.95 57.34 1vlf s SER 488 Cb -0.10 -1.93 0.07 0.00 -1.71 0.00 0.00 66.02 62.35 1vlf s SER 488 CO 0.40 0.07 1.09 -0.54 1.20 0.00 0.00 173.24 175.46 1vlf s LYS 489 N -3.09 2.10 0.15 5.44 1.02 -1.26 -4.42 119.74 119.66 1vlf s LYS 489 Ca 0.35 1.06 -0.31 0.00 0.02 0.00 0.00 55.97 57.10 1vlf s LYS 489 Cb -0.11 -1.89 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 1vlf s LYS 489 CO 0.28 -1.73 1.31 0.42 -0.92 0.00 0.00 175.35 174.72 1vlf s ILE 490 N -2.93 3.40 -0.02 2.17 -1.09 -1.26 -4.46 121.20 117.02 1vlf s ILE 490 Ca 0.61 1.08 0.02 0.00 -2.23 0.00 0.00 60.65 60.13 1vlf s ILE 490 Cb -0.17 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1vlf s ILE 490 CO 0.56 0.12 0.02 0.29 -1.23 0.00 0.00 174.94 174.70 1vlf n LYS 491 N 3.29 2.65 -4.20 2.79 4.76 -0.14 -4.73 118.16 122.57 1vlf n LYS 491 Ca 0.08 -0.01 -0.17 0.00 -2.87 0.00 0.00 58.31 55.34 1vlf n LYS 491 Cb 0.43 -1.06 -0.12 0.00 -1.84 0.00 0.00 35.03 32.44 1vlf n LYS 491 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1vlf s MET 492 N -2.09 0.74 -0.14 1.97 1.75 -0.96 -0.94 119.30 119.63 1vlf s MET 492 Ca -0.01 -0.77 -0.00 0.00 -1.25 0.00 0.00 55.69 53.66 1vlf s MET 492 Cb 0.01 -0.68 0.03 0.00 2.84 0.00 0.00 34.83 37.04 1vlf s MET 492 CO 0.10 0.16 -0.07 0.12 -0.65 0.00 0.00 175.02 174.68 1vlf s PHE 493 N -1.06 1.64 -0.52 4.11 5.99 -0.31 -0.24 117.98 127.59 1vlf s PHE 493 Ca -0.03 -0.95 -0.09 0.00 0.00 0.00 0.00 56.93 55.86 1vlf s PHE 493 Cb -0.09 -1.30 0.13 0.00 0.00 0.00 0.00 43.02 41.77 1vlf s PHE 493 CO 0.01 -0.58 0.40 -0.46 -0.00 0.00 0.00 175.22 174.59 1vlf s TRP 494 N 1.66 3.44 0.15 10.12 -0.11 0.10 -0.91 118.94 133.39 1vlf s TRP 494 Ca 0.03 -1.93 -0.18 0.00 1.22 0.00 0.00 56.10 55.24 1vlf s TRP 494 Cb -0.14 -3.52 -0.07 0.00 -1.50 0.00 0.00 33.47 28.24 1vlf s TRP 494 CO -0.08 -0.98 0.61 0.15 -4.62 0.00 0.00 176.95 172.03 1vlf s LYS 495 N 1.16 4.15 -0.33 5.86 1.02 0.93 -2.96 119.74 129.57 1vlf s LYS 495 Ca 0.07 0.70 0.03 0.00 0.02 0.00 0.00 55.97 56.80 1vlf s LYS 495 Cb -0.25 -3.02 0.09 0.00 -0.52 0.00 0.00 37.83 34.13 1vlf s LYS 495 CO -0.01 0.51 0.03 -0.47 -0.92 0.00 0.00 175.35 174.48 1vlf s TYR 496 N -1.36 3.67 0.00 3.18 5.04 -1.07 -0.59 117.35 126.22 1vlf s TYR 496 Ca 0.36 -2.85 0.00 0.00 -2.44 0.00 0.00 57.07 52.14 1vlf s TYR 496 Cb -0.17 -2.76 0.00 0.00 0.35 0.00 0.00 41.96 39.38 1vlf s TYR 496 CO 0.20 -0.94 0.00 0.41 -1.34 0.00 0.00 175.55 173.88 1vlf n GLY 497 N 4.30 -1.09 2.64 8.97 0.00 -0.73 -4.01 105.19 115.26 1vlf n GLY 497 Ca 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 1vlf n GLY 497 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vlf n GLY 498 N -1.21 1.15 0.02 -0.02 0.00 -1.26 -4.84 105.19 99.04 1vlf n GLY 498 Ca 0.00 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.85 1vlf n GLY 498 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vlf n PRO 499 N 0.29 0.07 -0.16 1.61 -0.04 -1.26 -0.76 135.00 134.76 1vlf n PRO 499 Ca 0.09 -0.05 0.28 0.00 -0.04 0.00 0.00 63.50 63.78 1vlf n PRO 499 Cb 0.70 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.39 1vlf n PRO 499 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vlf h HIS 500 N 0.12 0.00 0.00 0.54 3.86 -1.96 -0.60 115.15 117.12 1vlf h HIS 500 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1vlf h HIS 500 Cb 0.51 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 1vlf h HIS 500 CO 0.00 0.00 -0.11 -0.07 0.86 0.00 0.00 177.93 178.61 1vlf h LEU 501 N 0.00 0.00 0.00 2.43 3.38 -1.88 -2.24 115.31 117.00 1vlf h LEU 501 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1vlf h LEU 501 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1vlf h LEU 501 CO -0.00 0.11 -0.70 0.61 0.09 0.00 0.00 178.44 178.54 1vlf n GLY 502 N -0.58 -0.26 0.00 0.83 0.00 -0.28 -4.49 105.19 100.41 1vlf n GLY 502 Ca -0.01 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.68 1vlf n GLY 502 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vlf n THR 503 N -1.37 0.00 -0.47 2.61 -2.24 -0.90 -1.91 114.28 110.00 1vlf n THR 503 Ca 0.02 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1vlf n THR 503 Cb 0.21 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1vlf n THR 503 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1vlf n MET 504 N -1.54 3.57 -4.65 -0.78 2.81 -0.86 -4.96 117.12 110.71 1vlf n MET 504 Ca -0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 1vlf n MET 504 Cb 0.15 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.52 1vlf n MET 504 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1vlf s THR 505 N 2.74 2.30 -0.90 2.03 -4.23 -1.26 -4.73 115.64 111.59 1vlf s THR 505 Ca 0.00 -1.52 -0.12 0.00 -1.18 0.00 0.00 61.69 58.87 1vlf s THR 505 Cb 0.00 -1.96 0.02 0.00 1.34 0.00 0.00 72.50 71.90 1vlf s THR 505 CO 0.00 0.24 0.23 0.00 -0.54 0.00 0.00 174.62 174.56 1vlf n ALA 506 N 1.36 -1.87 0.08 3.99 0.00 0.17 -4.72 120.51 119.52 1vlf n ALA 506 Ca -0.17 -0.34 0.05 0.00 0.00 0.00 0.00 53.44 52.98 1vlf n ALA 506 Cb 0.52 -1.12 0.25 0.00 0.00 0.00 0.00 19.45 19.10 1vlf n ALA 506 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vlf n THR 507 N -3.51 1.43 0.17 0.00 -2.24 -0.88 -2.79 114.28 106.46 1vlf n THR 507 Ca -0.14 0.61 0.16 0.00 -2.27 0.00 0.00 64.05 62.41 1vlf n THR 507 Cb 0.41 -1.61 0.75 0.00 -2.10 0.00 0.00 70.33 67.78 1vlf n THR 507 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1vlf h ASN 508 N 0.00 0.00 0.23 3.42 2.35 -1.84 0.18 115.58 119.92 1vlf h ASN 508 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1vlf h ASN 508 Cb 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1vlf h ASN 508 CO 0.00 0.00 -0.17 0.08 -1.65 0.00 0.00 177.43 175.69 1vlf h ARG 509 N 0.00 0.00 0.00 0.81 0.11 -1.84 -1.05 114.38 112.41 1vlf h ARG 509 Ca 0.11 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.07 1vlf h ARG 509 Cb 0.49 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.55 1vlf h ARG 509 CO -0.00 0.17 -0.55 1.88 0.10 0.00 0.00 179.97 181.57 1vlf h TYR 510 N 0.00 0.00 -0.12 4.08 -1.99 -0.88 -2.60 116.97 115.45 1vlf h TYR 510 Ca -0.00 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.58 1vlf h TYR 510 Cb 0.33 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.07 1vlf h TYR 510 CO 0.00 0.55 -0.51 0.00 -0.00 0.00 0.00 178.16 178.20 1vlf h ALA 511 N 1.45 0.23 -0.21 3.88 0.00 -1.18 -3.29 119.26 120.14 1vlf h ALA 511 Ca -0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1vlf h ALA 511 Cb 1.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1vlf h ALA 511 CO 0.07 0.41 -0.04 0.87 0.00 0.00 0.00 179.25 180.57 1vlf h LYS 512 N 0.18 0.31 0.00 0.00 1.57 -1.22 -3.13 116.57 114.29 1vlf h LYS 512 Ca -0.03 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1vlf h LYS 512 Cb 1.15 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1vlf h LYS 512 CO 0.11 0.37 -0.18 0.00 -0.57 0.00 0.00 179.45 179.18 1vlf h MET 513 N 0.30 0.00 0.00 3.15 -0.00 -1.53 -3.11 114.93 113.74 1vlf h MET 513 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.74 1vlf h MET 513 Cb 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.86 1vlf h MET 513 CO 0.01 0.18 -0.12 1.88 -0.00 0.00 0.00 176.91 178.86 1vlf h TYR 514 N 0.00 0.00 -0.21 -0.10 -1.99 -1.70 -2.68 116.97 110.30 1vlf h TYR 514 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1vlf h TYR 514 Cb 0.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.08 1vlf h TYR 514 CO 0.00 0.12 0.00 0.25 -0.00 0.00 0.00 178.16 178.53 1vlf n THR 515 N -3.87 0.26 -2.22 -2.88 -2.24 -1.17 -4.81 114.28 97.35 1vlf n THR 515 Ca -0.02 -0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 1vlf n THR 515 Cb 0.21 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 1vlf n THR 515 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1vlf s HIS 516 N -1.74 3.27 -1.29 4.78 5.04 -1.01 -3.96 115.29 120.38 1vlf s HIS 516 Ca 0.34 1.13 0.08 0.00 -1.54 0.00 0.00 55.06 55.07 1vlf s HIS 516 Cb 0.19 -3.62 0.37 0.00 0.04 0.00 0.00 32.58 29.56 1vlf s HIS 516 CO 0.28 -2.01 1.15 -0.40 -2.34 0.00 0.00 174.74 171.42 1vlf n ASP 517 N 3.18 0.00 0.21 9.88 3.85 -1.26 -1.80 116.55 130.61 1vlf n ASP 517 Ca 0.08 0.28 0.10 0.00 -0.71 0.00 0.00 54.79 54.54 1vlf n ASP 517 Cb 0.43 -0.35 0.23 0.00 -1.35 0.00 0.00 41.12 40.07 1vlf n ASP 517 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1vlf h SER 518 N 0.00 0.00 -2.53 -1.12 4.64 -1.90 -3.40 113.55 109.24 1vlf h SER 518 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1vlf h SER 518 Cb 0.09 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.05 1vlf h SER 518 CO 0.00 0.15 0.70 -0.76 -0.87 0.00 0.00 176.83 176.05 1vlf s LEU 519 N -6.33 4.14 0.34 5.97 1.43 -0.75 -4.55 118.68 118.93 1vlf s LEU 519 Ca 0.05 -0.96 0.18 0.00 -1.03 0.00 0.00 54.13 52.37 1vlf s LEU 519 Cb 0.07 -2.45 0.38 0.00 0.03 0.00 0.00 46.19 44.21 1vlf s LEU 519 CO 0.67 -1.51 1.59 -0.33 0.23 0.00 0.00 176.35 177.00 1vlf h GLU 520 N 9.63 0.00 -2.42 1.70 5.08 -1.27 -3.46 114.58 123.83 1vlf h GLU 520 Ca -0.24 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 1vlf h GLU 520 Cb 1.06 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.09 1vlf h GLU 520 CO 1.21 0.38 -0.07 0.12 -1.00 0.00 0.00 179.01 179.65 1vlf s PHE 521 N -3.23 -0.58 -0.08 4.33 5.36 -1.17 -5.04 117.98 117.57 1vlf s PHE 521 Ca 0.03 1.40 -0.02 0.00 -0.96 0.00 0.00 56.93 57.38 1vlf s PHE 521 Cb 0.08 0.21 0.03 0.00 -0.34 0.00 0.00 43.02 43.00 1vlf s PHE 521 CO 0.70 -0.31 0.01 0.08 -1.46 0.00 0.00 175.22 174.25 1vlf s VAL 522 N 0.15 0.34 -0.05 3.12 1.01 -1.26 -1.16 120.40 122.54 1vlf s VAL 522 Ca -0.01 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.11 1vlf s VAL 522 Cb -0.04 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1vlf s VAL 522 CO 0.01 0.22 -0.17 -0.69 0.00 0.00 0.00 175.10 174.47 1vlf s VAL 523 N 1.98 2.81 -0.16 2.92 1.01 -0.08 -0.32 120.40 128.56 1vlf s VAL 523 Ca 0.05 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1vlf s VAL 523 Cb -0.13 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.20 1vlf s VAL 523 CO -0.05 0.58 -0.14 -0.55 0.00 0.00 0.00 175.10 174.94 1vlf s SER 524 N -0.55 2.91 -0.47 3.32 0.15 0.18 -0.05 113.70 119.19 1vlf s SER 524 Ca 0.08 -0.60 -0.08 0.00 0.70 0.00 0.00 55.95 56.04 1vlf s SER 524 Cb -0.11 -1.24 0.12 0.00 -1.71 0.00 0.00 66.02 63.08 1vlf s SER 524 CO 0.01 -0.07 0.33 -1.58 1.20 0.00 0.00 173.24 173.14 1vlf s GLN 525 N 1.44 2.42 0.34 5.44 0.74 0.24 -0.14 119.66 130.14 1vlf s GLN 525 Ca 0.04 -1.81 0.07 0.00 0.05 0.00 0.00 55.36 53.71 1vlf s GLN 525 Cb -0.14 -3.88 -0.03 0.00 1.10 0.00 0.00 33.01 30.07 1vlf s GLN 525 CO -0.10 -1.18 0.26 0.43 -0.55 0.00 0.00 175.29 174.14 1vlf n SER 526 N 4.80 -0.39 -0.11 6.67 7.64 -0.76 -1.78 113.62 129.69 1vlf n SER 526 Ca -0.06 -3.18 -0.23 0.00 1.01 0.00 0.00 58.87 56.41 1vlf n SER 526 Cb 0.41 1.56 -0.09 0.00 -1.01 0.00 0.00 64.21 65.08 1vlf n SER 526 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1vlf n ILE 527 N -0.68 1.26 -4.34 0.44 5.41 -1.26 -0.30 119.36 119.88 1vlf n ILE 527 Ca 0.05 -0.35 -0.31 0.00 1.00 0.00 0.00 62.75 63.15 1vlf n ILE 527 Cb 0.60 -1.73 -0.10 0.00 -0.71 0.00 0.00 39.64 37.71 1vlf n ILE 527 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1vlf s TRP 528 N -2.42 2.86 -0.88 1.39 0.51 -1.26 -1.11 118.94 118.02 1vlf s TRP 528 Ca -0.32 -0.07 -0.23 0.00 -2.12 0.00 0.00 56.10 53.36 1vlf s TRP 528 Cb 0.12 -1.55 0.07 0.00 -0.81 0.00 0.00 33.47 31.30 1vlf s TRP 528 CO 0.42 0.40 1.26 0.12 -0.51 0.00 0.00 176.95 178.64 1vlf s PHE 529 N -1.11 2.65 0.31 -1.98 5.36 0.99 -4.80 117.98 119.41 1vlf s PHE 529 Ca 0.20 -0.78 -0.19 0.00 -0.96 0.00 0.00 56.93 55.21 1vlf s PHE 529 Cb -0.11 -4.51 0.06 0.00 -0.34 0.00 0.00 43.02 38.11 1vlf s PHE 529 CO 0.11 -1.81 0.86 -1.83 -1.46 0.00 0.00 175.22 171.10 1vlf s GLU 530 N 4.40 1.88 4.03 10.12 -1.05 -1.26 -4.95 118.70 131.87 1vlf s GLU 530 Ca 0.37 -1.19 0.00 0.00 -0.15 0.00 0.00 54.97 54.00 1vlf s GLU 530 Cb -0.06 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 1vlf s GLU 530 CO -0.02 -0.88 0.00 0.41 0.95 0.00 0.00 175.26 175.73 1vlf n GLY 531 N -0.57 3.25 0.08 -3.83 0.00 -1.16 -1.35 105.19 101.60 1vlf n GLY 531 Ca -0.06 0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1vlf n GLY 531 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vlf n GLU 532 N 14.00 0.19 -0.30 1.61 1.02 0.06 -4.21 120.64 133.01 1vlf n GLU 532 Ca 0.00 0.16 0.11 0.00 -0.02 0.00 0.00 57.16 57.40 1vlf n GLU 532 Cb 0.00 -1.72 0.28 0.00 -0.02 0.00 0.00 31.44 29.97 1vlf n GLU 532 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1vlf h VAL 533 N 0.00 0.59 0.00 2.62 2.07 -1.43 -2.19 116.25 117.91 1vlf h VAL 533 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1vlf h VAL 533 Cb 0.67 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1vlf h VAL 533 CO 0.00 0.09 0.00 -2.65 0.02 0.00 0.00 177.57 175.03 1vlf n PRO 534 N -4.96 0.45 0.00 1.57 -0.02 -1.26 -2.01 135.00 128.77 1vlf n PRO 534 Ca 0.20 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.71 1vlf n PRO 534 Cb 0.57 -1.14 -0.00 0.00 -0.02 0.00 0.00 33.50 32.90 1vlf n PRO 534 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1vlf n PHE 535 N -0.03 0.00 -1.81 6.00 3.01 -0.82 -3.30 117.46 120.50 1vlf n PHE 535 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 1vlf n PHE 535 Cb 0.07 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.56 1vlf n PHE 535 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1vlf s ALA 536 N -1.09 2.91 -0.09 4.37 0.00 -0.85 -4.55 121.76 122.46 1vlf s ALA 536 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1vlf s ALA 536 Cb 0.05 -3.13 -0.25 0.00 0.00 0.00 0.00 23.12 19.79 1vlf s ALA 536 CO 0.17 -0.86 0.50 -0.44 0.00 0.00 0.00 175.76 175.12 1vlf h ASP 537 N -0.31 0.27 -3.64 0.00 3.32 -1.02 -3.41 116.42 111.64 1vlf h ASP 537 Ca -0.44 -0.60 -0.39 0.00 0.02 0.00 0.00 57.03 55.61 1vlf h ASP 537 Cb 1.20 -0.09 -0.32 0.00 0.22 0.00 0.00 39.33 40.34 1vlf h ASP 537 CO 0.60 1.54 -0.77 -0.63 -1.72 0.00 0.00 179.24 178.25 1vlf s ILE 538 N -2.58 0.56 -0.11 0.35 -1.09 -1.06 -0.76 121.20 116.51 1vlf s ILE 538 Ca -0.15 -0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.11 1vlf s ILE 538 Cb 0.07 -0.54 0.00 0.00 -1.58 0.00 0.00 42.46 40.41 1vlf s ILE 538 CO 0.79 0.20 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.84 1vlf s ILE 539 N 0.52 2.07 -0.19 2.92 1.01 0.07 -0.65 121.20 126.95 1vlf s ILE 539 Ca -0.07 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.55 1vlf s ILE 539 Cb -0.11 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 1vlf s ILE 539 CO 0.00 0.56 -0.07 -0.76 0.00 0.00 0.00 174.94 174.67 1vlf s LEU 540 N 0.46 2.84 -0.33 2.97 1.43 0.80 -1.44 118.68 125.41 1vlf s LEU 540 Ca -0.16 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.29 1vlf s LEU 540 Cb -0.17 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.36 1vlf s LEU 540 CO 0.06 0.04 1.23 -2.84 0.23 0.00 0.00 176.35 175.08 1vlf s PRO 541 N 1.08 3.92 0.28 1.29 0.02 -1.26 -1.83 135.00 138.50 1vlf s PRO 541 Ca 0.01 1.11 0.06 0.00 0.02 0.00 0.00 61.00 62.20 1vlf s PRO 541 Cb -0.15 -3.85 -0.03 0.00 0.02 0.00 0.00 34.50 30.50 1vlf s PRO 541 CO -0.01 -1.12 0.33 0.00 -0.33 0.00 0.00 177.00 175.88 1vlf s ALA 542 N 4.25 3.90 0.38 -1.55 0.00 0.58 -1.96 121.76 127.37 1vlf s ALA 542 Ca 0.53 -1.41 0.08 0.00 0.00 0.00 0.00 51.96 51.15 1vlf s ALA 542 Cb -0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1vlf s ALA 542 CO 0.23 0.13 0.22 0.00 0.00 0.00 0.00 175.76 176.34 1vlf s THR 544 N -2.48 2.01 -1.27 0.00 -4.23 -1.26 -4.84 115.64 103.57 1vlf s THR 544 Ca 0.42 -0.02 0.14 0.00 -1.18 0.00 0.00 61.69 61.05 1vlf s THR 544 Cb -0.01 -3.00 0.20 0.00 1.34 0.00 0.00 72.50 71.04 1vlf s THR 544 CO 0.24 0.00 1.42 -0.46 -0.54 0.00 0.00 174.62 175.28 1vlf n ASN 545 N -3.36 0.00 -0.24 3.99 6.94 -1.26 -1.85 115.26 119.47 1vlf n ASN 545 Ca 0.09 0.23 0.14 0.00 -0.02 0.00 0.00 54.58 55.02 1vlf n ASN 545 Cb 0.61 -0.36 0.54 0.00 -2.36 0.00 0.00 39.78 38.20 1vlf n ASN 545 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1vlf n PHE 546 N -1.36 0.00 -0.42 -2.53 3.01 -1.26 -3.62 117.46 111.28 1vlf n PHE 546 Ca 0.06 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.57 1vlf n PHE 546 Cb 0.13 -0.10 0.15 0.00 -0.01 0.00 0.00 39.48 39.65 1vlf n PHE 546 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1vlf n GLU 547 N -0.57 2.79 -3.94 -1.08 1.02 -0.77 -1.98 120.64 116.11 1vlf n GLU 547 Ca 0.16 -2.20 -0.09 0.00 -0.02 0.00 0.00 57.16 55.01 1vlf n GLU 547 Cb 0.31 -1.39 -0.05 0.00 -0.02 0.00 0.00 31.44 30.29 1vlf n GLU 547 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1vlf s ARG 548 N -1.60 1.41 0.11 3.49 1.70 -1.24 -4.36 118.95 118.46 1vlf s ARG 548 Ca 0.25 -1.15 -0.14 0.00 -0.47 0.00 0.00 55.73 54.21 1vlf s ARG 548 Cb 0.17 0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 34.94 1vlf s ARG 548 CO 0.10 -0.57 0.51 -1.58 -1.08 0.00 0.00 175.30 172.68 1vlf s TRP 549 N -3.98 3.65 0.18 5.89 0.52 -1.26 -3.61 118.94 120.33 1vlf s TRP 549 Ca 0.18 1.04 -0.16 0.00 0.02 0.00 0.00 56.10 57.19 1vlf s TRP 549 Cb 0.00 -2.35 0.06 0.00 -1.15 0.00 0.00 33.47 30.03 1vlf s TRP 549 CO 0.04 0.49 0.77 -3.47 0.02 0.00 0.00 176.95 174.80 1vlf n ASP 550 N 1.07 -1.46 -3.80 2.95 -0.08 -0.66 -4.79 116.55 109.77 1vlf n ASP 550 Ca -0.07 -1.84 -0.12 0.00 -1.51 0.00 0.00 54.79 51.25 1vlf n ASP 550 Cb 0.52 2.40 -0.10 0.00 2.34 0.00 0.00 41.12 46.28 1vlf n ASP 550 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1vlf s ILE 551 N -2.20 0.05 0.17 5.18 2.07 -1.26 -0.47 121.20 124.74 1vlf s ILE 551 Ca 0.17 -0.45 -0.24 0.00 -1.41 0.00 0.00 60.65 58.72 1vlf s ILE 551 Cb -0.03 -0.51 0.07 0.00 0.13 0.00 0.00 42.46 42.13 1vlf s ILE 551 CO 0.05 -0.25 0.99 -0.94 -1.91 0.00 0.00 174.94 172.89 1vlf s SER 552 N -1.05 -0.09 0.03 4.50 1.04 -0.97 -1.24 113.70 115.92 1vlf s SER 552 Ca -0.11 -0.55 0.07 0.00 0.48 0.00 0.00 55.95 55.85 1vlf s SER 552 Cb -0.05 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 1vlf s SER 552 CO 0.03 -0.96 -0.21 -0.70 0.98 0.00 0.00 173.24 172.37 1vlf s GLU 553 N -2.76 1.49 -0.30 4.02 2.12 -1.26 -1.00 118.70 121.01 1vlf s GLU 553 Ca 0.16 -0.92 -0.36 0.00 0.36 0.00 0.00 54.97 54.21 1vlf s GLU 553 Cb -0.02 -1.58 -0.12 0.00 0.26 0.00 0.00 34.13 32.67 1vlf s GLU 553 CO 0.04 0.41 2.05 0.34 -0.54 0.00 0.00 175.26 177.55 1vlf n PHE 554 N 1.99 1.80 -1.01 5.30 7.35 0.08 -1.92 117.46 131.06 1vlf n PHE 554 Ca -0.17 0.30 -0.00 0.00 -0.76 0.00 0.00 57.45 56.82 1vlf n PHE 554 Cb 0.53 -2.53 -0.00 0.00 0.35 0.00 0.00 39.48 37.83 1vlf n PHE 554 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1vlf n ALA 555 N 8.36 -0.00 -2.52 3.13 0.00 -1.26 -4.72 120.51 123.49 1vlf n ALA 555 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 1vlf n ALA 555 Cb 0.21 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1vlf n ALA 555 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1vlf s ASN 556 N -2.01 6.29 -0.26 0.00 3.84 -0.81 -4.40 114.94 117.59 1vlf s ASN 556 Ca 0.00 0.03 -0.15 0.00 0.21 0.00 0.00 52.86 52.95 1vlf s ASN 556 Cb 0.00 -2.55 -0.12 0.00 -0.55 0.00 0.00 41.25 38.03 1vlf s ASN 556 CO 0.00 -1.63 -0.31 0.00 -2.79 0.00 0.00 177.10 172.36 1vlf n SER 558 N -4.29 -0.93 0.00 0.00 2.88 -1.17 -1.45 113.62 108.65 1vlf n SER 558 Ca -0.48 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.06 1vlf n SER 558 Cb 0.83 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 1vlf n SER 558 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vlf n GLY 559 N 0.00 1.38 0.00 0.46 0.00 -1.26 -1.60 105.19 104.17 1vlf n GLY 559 Ca 0.00 0.30 0.10 0.00 0.00 0.00 0.00 46.02 46.42 1vlf n GLY 559 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1vlf n TYR 560 N 0.10 0.00 -3.19 1.61 0.18 -1.26 -3.40 117.16 111.20 1vlf n TYR 560 Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 1vlf n TYR 560 Cb 0.00 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.90 1vlf n TYR 560 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 1vlf n ILE 561 N -0.82 -0.57 -1.63 -3.48 5.41 -0.62 -4.33 119.36 113.31 1vlf n ILE 561 Ca 0.15 -4.12 -0.47 0.00 1.00 0.00 0.00 62.75 59.30 1vlf n ILE 561 Cb 0.07 -1.66 -0.04 0.00 -0.71 0.00 0.00 39.64 37.29 1vlf n ILE 561 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1vlf n PRO 562 N 1.21 1.64 -3.34 0.38 -0.02 -1.22 -2.48 135.00 131.16 1vlf n PRO 562 Ca 0.22 0.59 -0.24 0.00 -2.02 0.00 0.00 63.50 62.05 1vlf n PRO 562 Cb 0.55 -2.20 0.01 0.00 -0.02 0.00 0.00 33.50 31.84 1vlf n PRO 562 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1vlf n ASP 563 N 2.34 -4.48 0.00 2.55 8.00 -1.26 -4.85 116.55 118.85 1vlf n ASP 563 Ca 0.14 -0.41 0.09 0.00 0.71 0.00 0.00 54.79 55.32 1vlf n ASP 563 Cb 0.27 -3.66 0.52 0.00 -0.02 0.00 0.00 41.12 38.24 1vlf n ASP 563 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1vlf n ASN 564 N -2.42 0.00 0.08 -2.24 0.23 -1.03 -2.45 115.26 107.42 1vlf n ASN 564 Ca -0.03 -0.68 0.08 0.00 -0.53 0.00 0.00 54.58 53.42 1vlf n ASN 564 Cb 0.56 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.63 1vlf n ASN 564 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vlf n TYR 565 N -0.95 0.42 0.78 -2.53 4.11 -1.26 -1.81 117.16 115.92 1vlf n TYR 565 Ca 0.13 0.18 0.04 0.00 -0.00 0.00 0.00 57.90 58.25 1vlf n TYR 565 Cb 0.06 -0.80 0.21 0.00 -0.00 0.00 0.00 39.34 38.81 1vlf n TYR 565 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1vlf n GLN 566 N -1.90 0.39 0.19 -3.48 10.64 -1.03 -1.46 117.38 120.74 1vlf n GLN 566 Ca 0.01 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.27 1vlf n GLN 566 Cb 0.14 -1.28 0.14 0.00 -0.86 0.00 0.00 30.24 28.37 1vlf n GLN 566 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1vlf h LEU 567 N 0.00 0.00-10.29 2.61 3.38 -1.52 -3.12 115.31 106.37 1vlf h LEU 567 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 1vlf h LEU 567 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1vlf h LEU 567 CO 0.00 0.18 -0.28 0.00 0.09 0.00 0.00 178.44 178.43 1vlf h ASN 569 N 0.82 0.00 -5.00 0.00 2.35 -1.86 -3.46 115.58 108.43 1vlf h ASN 569 Ca -0.48 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.15 1vlf h ASN 569 Cb 1.24 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.42 1vlf h ASN 569 CO 0.57 0.00 -0.31 -1.00 -1.65 0.00 0.00 177.43 175.04 1vlf s HIS 570 N -3.16 -0.12 -0.35 1.19 3.76 -1.26 -4.84 115.29 110.50 1vlf s HIS 570 Ca 0.08 0.14 -0.23 0.00 -0.15 0.00 0.00 55.06 54.90 1vlf s HIS 570 Cb 0.09 0.07 0.01 0.00 1.11 0.00 0.00 32.58 33.85 1vlf s HIS 570 CO 0.64 -0.39 0.77 1.03 -0.85 0.00 0.00 174.74 175.94 1vlf s ARG 571 N -1.56 3.80 -0.23 1.40 0.52 -1.26 -4.95 118.95 116.67 1vlf s ARG 571 Ca -0.12 0.36 0.01 0.00 -0.52 0.00 0.00 55.73 55.45 1vlf s ARG 571 Cb -0.05 -3.79 0.03 0.00 0.52 0.00 0.00 34.95 31.67 1vlf s ARG 571 CO 0.02 -0.80 -0.12 0.08 0.02 0.00 0.00 175.30 174.51 1vlf s VAL 572 N 3.03 2.38 -0.22 3.52 1.01 -1.26 -1.43 120.40 127.43 1vlf s VAL 572 Ca 0.31 -1.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1vlf s VAL 572 Cb -0.13 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1vlf s VAL 572 CO 0.16 0.24 0.12 -0.63 0.00 0.00 0.00 175.10 174.99 1vlf s ILE 573 N 1.24 5.09 0.05 2.22 1.01 -0.28 -0.74 121.20 129.79 1vlf s ILE 573 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1vlf s ILE 573 Cb -0.16 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1vlf s ILE 573 CO -0.08 0.39 -0.06 -0.94 0.00 0.00 0.00 174.94 174.26 1vlf s SER 574 N 0.81 0.74 -0.12 3.58 1.04 -0.17 0.13 113.70 119.71 1vlf s SER 574 Ca 0.06 -0.67 -0.25 0.00 0.48 0.00 0.00 55.95 55.57 1vlf s SER 574 Cb -0.13 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 1vlf s SER 574 CO 0.02 -0.32 0.79 -0.22 0.98 0.00 0.00 173.24 174.50 1vlf s LEU 575 N -1.98 4.24 -0.68 2.42 2.96 0.11 -2.29 118.68 123.46 1vlf s LEU 575 Ca -0.05 1.21 -0.19 0.00 -0.22 0.00 0.00 54.13 54.87 1vlf s LEU 575 Cb -0.05 -3.20 0.11 0.00 0.50 0.00 0.00 46.19 43.55 1vlf s LEU 575 CO -0.02 -0.28 0.84 -1.10 -1.32 0.00 0.00 176.35 174.47 1vlf s GLN 576 N 1.57 3.19 0.36 1.98 -0.21 0.37 -3.76 119.66 123.16 1vlf s GLN 576 Ca 0.39 -1.35 -0.26 0.00 0.02 0.00 0.00 55.36 54.16 1vlf s GLN 576 Cb -0.17 -4.37 -0.09 0.00 1.00 0.00 0.00 33.01 29.37 1vlf s GLN 576 CO 0.16 -1.63 1.09 0.00 -2.12 0.00 0.00 175.29 172.79 1vlf s ALA 577 N 2.86 3.20 -0.72 6.09 0.00 -0.28 -1.66 121.76 131.25 1vlf s ALA 577 Ca 0.18 0.82 -0.26 0.00 0.00 0.00 0.00 51.96 52.70 1vlf s ALA 577 Cb -0.18 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 1vlf s ALA 577 CO 0.04 -0.26 1.65 0.21 0.00 0.00 0.00 175.76 177.39 1vlf s LYS 578 N -2.12 2.88 0.14 0.00 2.20 -1.24 -4.73 119.74 116.88 1vlf s LYS 578 Ca 0.53 0.10 -0.08 0.00 -0.36 0.00 0.00 55.97 56.16 1vlf s LYS 578 Cb -0.27 -4.47 -0.03 0.00 -1.51 0.00 0.00 37.83 31.55 1vlf s LYS 578 CO 0.34 -2.58 1.40 0.00 -0.36 0.00 0.00 175.35 174.16 1vlf s ILE 580 N -3.86 0.09 0.46 0.00 -4.36 -1.12 -4.82 121.20 107.59 1vlf s ILE 580 Ca -0.09 -1.85 -0.21 0.00 -0.26 0.00 0.00 60.65 58.24 1vlf s ILE 580 Cb 0.10 -2.07 -0.09 0.00 1.25 0.00 0.00 42.46 41.65 1vlf s ILE 580 CO 0.87 -0.39 1.04 -1.61 0.24 0.00 0.00 174.94 175.09 1vlf s GLU 581 N -4.05 3.92 0.21 0.37 0.41 -1.26 -4.39 118.70 113.91 1vlf s GLU 581 Ca 0.25 1.40 -0.31 0.00 -0.41 0.00 0.00 54.97 55.90 1vlf s GLU 581 Cb 0.07 -2.23 -0.15 0.00 -1.78 0.00 0.00 34.13 30.03 1vlf s GLU 581 CO 0.03 -0.33 1.08 -2.30 -0.49 0.00 0.00 175.26 173.25 1vlf n PRO 582 N -0.69 1.15 -2.38 0.39 -0.02 -1.26 -4.89 135.00 127.30 1vlf n PRO 582 Ca 0.08 0.41 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 1vlf n PRO 582 Cb 0.52 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.12 1vlf n PRO 582 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1vlf s VAL 583 N -0.48 3.63 0.00 -1.45 1.01 -1.26 -4.74 120.40 117.11 1vlf s VAL 583 Ca 0.69 1.34 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1vlf s VAL 583 Cb -0.82 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 31.71 1vlf s VAL 583 CO 0.55 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1vlf n GLY 584 N 2.36 2.30 2.10 4.51 0.00 -1.26 -2.50 105.19 112.69 1vlf n GLY 584 Ca 0.05 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 1vlf n GLY 584 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vlf n GLU 585 N 11.19 2.83 -1.90 1.61 1.02 -0.23 -4.98 120.64 130.18 1vlf n GLU 585 Ca 0.00 -3.05 -0.30 0.00 -0.02 0.00 0.00 57.16 53.78 1vlf n GLU 585 Cb 0.00 -2.18 0.03 0.00 -0.02 0.00 0.00 31.44 29.27 1vlf n GLU 585 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1vlf s SER 586 N -1.25 5.80 0.11 1.62 1.04 -1.04 -4.79 113.70 115.19 1vlf s SER 586 Ca 0.56 1.24 -0.11 0.00 0.48 0.00 0.00 55.95 58.12 1vlf s SER 586 Cb 0.46 -2.16 0.01 0.00 0.10 0.00 0.00 66.02 64.43 1vlf s SER 586 CO 0.12 -1.12 0.27 0.00 0.98 0.00 0.00 173.24 173.49 1vlf s MET 587 N -5.27 0.95 0.61 4.02 0.23 -0.83 -4.73 119.30 114.29 1vlf s MET 587 Ca 0.57 -0.89 -0.19 0.00 -1.03 0.00 0.00 55.69 54.15 1vlf s MET 587 Cb -0.11 0.39 -0.02 0.00 -1.53 0.00 0.00 34.83 33.56 1vlf s MET 587 CO 0.52 -0.34 1.26 -1.54 -2.03 0.00 0.00 175.02 172.90 1vlf s SER 588 N -2.85 4.91 0.35 -1.18 1.04 -1.26 -2.25 113.70 112.45 1vlf s SER 588 Ca 0.05 2.54 0.05 0.00 0.48 0.00 0.00 55.95 59.08 1vlf s SER 588 Cb 0.04 -2.61 0.71 0.00 0.10 0.00 0.00 66.02 64.25 1vlf s SER 588 CO -0.10 -1.80 1.92 0.44 0.98 0.00 0.00 173.24 174.68 1vlf h ASP 589 N 0.78 0.72 -0.49 7.02 3.32 -1.94 -0.64 116.42 125.19 1vlf h ASP 589 Ca -0.51 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 1vlf h ASP 589 Cb 1.32 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 1vlf h ASP 589 CO 0.54 0.44 0.28 0.22 -1.72 0.00 0.00 179.24 179.00 1vlf h TYR 590 N 0.81 0.66 -0.02 4.55 5.03 -1.93 -0.68 116.97 125.39 1vlf h TYR 590 Ca 0.37 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.57 1vlf h TYR 590 Cb 0.37 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.42 1vlf h TYR 590 CO -0.00 0.48 -0.44 0.93 -1.32 0.00 0.00 178.16 177.81 1vlf h GLU 591 N 0.65 0.04 -0.16 1.82 4.39 -1.65 0.17 114.58 119.84 1vlf h GLU 591 Ca 0.17 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1vlf h GLU 591 Cb 0.03 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1vlf h GLU 591 CO -0.03 0.48 0.04 0.82 -1.16 0.00 0.00 179.01 179.15 1vlf h ILE 592 N 0.03 1.20 -0.17 3.13 2.04 -0.63 -1.60 117.51 121.52 1vlf h ILE 592 Ca -0.00 -0.65 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 1vlf h ILE 592 Cb 0.80 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1vlf h ILE 592 CO 0.06 0.20 -0.24 1.88 0.00 0.00 0.00 178.15 180.05 1vlf h TYR 593 N 0.06 0.33 -0.15 1.37 0.99 -0.84 -1.57 116.97 117.16 1vlf h TYR 593 Ca 0.05 -0.06 -0.09 0.00 2.00 0.00 0.00 58.73 60.63 1vlf h TYR 593 Cb 0.27 -0.08 -0.01 0.00 1.00 0.00 0.00 36.73 37.90 1vlf h TYR 593 CO 0.01 0.52 -0.29 -0.09 -0.00 0.00 0.00 178.16 178.31 1vlf h ARG 594 N 0.27 0.28 -0.17 4.88 2.43 -0.76 0.26 114.38 121.57 1vlf h ARG 594 Ca 0.04 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1vlf h ARG 594 Cb 0.57 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1vlf h ARG 594 CO 0.04 0.55 -0.24 1.25 -1.51 0.00 0.00 179.97 180.07 1vlf h LEU 595 N 0.25 0.50 -0.67 3.80 5.85 -0.54 -2.32 115.31 122.19 1vlf h LEU 595 Ca 0.04 -0.51 -0.08 0.00 0.84 0.00 0.00 57.88 58.16 1vlf h LEU 595 Cb 0.64 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1vlf h LEU 595 CO 0.05 0.92 0.10 -0.26 -0.34 0.00 0.00 178.44 178.90 1vlf h PHE 596 N 0.10 1.19 -0.84 1.25 -1.00 -1.05 -2.47 116.94 114.12 1vlf h PHE 596 Ca 0.02 -0.17 0.07 0.00 2.81 0.00 0.00 57.97 60.70 1vlf h PHE 596 Cb 0.80 -0.32 -0.07 0.00 3.61 0.00 0.00 35.95 39.98 1vlf h PHE 596 CO 0.09 1.00 0.51 0.00 -1.61 0.00 0.00 178.31 178.30 1vlf h ALA 597 N 1.04 1.18 -0.32 2.45 0.00 -0.43 0.25 119.26 123.43 1vlf h ALA 597 Ca 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1vlf h ALA 597 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1vlf h ALA 597 CO 0.02 0.21 0.14 -0.22 0.00 0.00 0.00 179.25 179.40 1vlf h LYS 598 N 0.90 0.48 0.00 0.00 3.64 -1.12 0.14 116.57 120.60 1vlf h LYS 598 Ca 0.38 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1vlf h LYS 598 Cb 0.24 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1vlf h LYS 598 CO -0.20 0.46 0.00 1.63 -2.27 0.00 0.00 179.45 179.07 1vlf n LYS 599 N -4.74 0.10 -0.09 1.90 5.02 -0.67 -2.28 118.16 117.41 1vlf n LYS 599 Ca -0.01 0.21 0.11 0.00 -2.02 0.00 0.00 58.31 56.59 1vlf n LYS 599 Cb 0.12 -1.65 0.15 0.00 -0.02 0.00 0.00 35.03 33.63 1vlf n LYS 599 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1vlf n LEU 600 N -1.82 3.06 -1.90 -0.35 4.77 0.81 -4.97 117.00 116.59 1vlf n LEU 600 Ca 0.05 -1.27 -0.15 0.00 -0.03 0.00 0.00 56.01 54.61 1vlf n LEU 600 Cb 0.29 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1vlf n LEU 600 CO 0.22 0.60 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.61 1vlf n ASN 601 N 1.28 -4.51 -1.09 -1.43 5.15 -0.60 -4.92 115.26 109.14 1vlf n ASN 601 Ca 0.15 -0.12 0.04 0.00 -0.60 0.00 0.00 54.58 54.05 1vlf n ASN 601 Cb 0.55 -3.49 0.05 0.00 -0.53 0.00 0.00 39.78 36.36 1vlf n ASN 601 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1vlf n ILE 602 N -4.07 0.43 -0.19 -1.44 -5.35 0.38 -4.91 119.36 104.21 1vlf n ILE 602 Ca -0.11 -1.20 -0.06 0.00 -0.27 0.00 0.00 62.75 61.11 1vlf n ILE 602 Cb 0.60 0.65 0.03 0.00 -1.74 0.00 0.00 39.64 39.18 1vlf n ILE 602 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1vlf h GLU 603 N 0.74 0.72 -0.25 6.28 4.81 -1.78 -1.71 114.58 123.39 1vlf h GLU 603 Ca -0.14 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1vlf h GLU 603 Cb 1.62 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 1vlf h GLU 603 CO 0.06 0.48 0.14 1.49 -0.73 0.00 0.00 179.01 180.45 1vlf h GLU 604 N 0.74 0.34 -0.83 1.92 4.57 -1.91 0.22 114.58 119.63 1vlf h GLU 604 Ca 0.21 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1vlf h GLU 604 Cb -0.07 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 1vlf h GLU 604 CO -0.05 0.28 0.41 0.52 -1.18 0.00 0.00 179.01 178.99 1vlf h MET 605 N 0.30 1.19 0.26 1.92 2.86 -1.91 0.18 114.93 119.73 1vlf h MET 605 Ca 0.09 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1vlf h MET 605 Cb 0.04 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.48 1vlf h MET 605 CO -0.02 0.91 -0.13 0.35 1.06 0.00 0.00 176.91 179.09 1vlf h PHE 606 N 1.18 -0.33 0.00 -0.22 3.57 -1.08 -3.38 116.94 116.68 1vlf h PHE 606 Ca 0.29 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.67 1vlf h PHE 606 Cb 0.10 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1vlf h PHE 606 CO 0.01 -0.03 -0.76 0.66 -2.23 0.00 0.00 178.31 175.96 1vlf h SER 607 N -1.00 0.00 -3.12 0.41 4.64 -1.02 -3.48 113.55 109.98 1vlf h SER 607 Ca -0.04 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.97 1vlf h SER 607 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 1vlf h SER 607 CO 0.06 0.44 -0.38 -0.62 -0.87 0.00 0.00 176.83 175.46 1vlf n GLU 608 N -3.07 -1.90 -1.18 4.77 1.02 0.63 -0.83 120.64 120.08 1vlf n GLU 608 Ca -0.01 0.79 -0.06 0.00 -0.02 0.00 0.00 57.16 57.85 1vlf n GLU 608 Cb 0.73 -5.36 -0.03 0.00 -0.02 0.00 0.00 31.44 26.77 1vlf n GLU 608 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vlf n GLY 609 N -0.78 0.82 3.61 0.62 0.00 -1.26 -5.02 105.19 103.17 1vlf n GLY 609 Ca -0.18 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 1vlf n GLY 609 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vlf s LYS 610 N -2.14 2.47 0.57 1.61 1.02 -0.01 -5.11 119.74 118.15 1vlf s LYS 610 Ca 0.00 -0.80 0.06 0.00 0.02 0.00 0.00 55.97 55.25 1vlf s LYS 610 Cb 0.00 -2.47 0.07 0.00 -0.52 0.00 0.00 37.83 34.91 1vlf s LYS 610 CO 0.00 0.57 0.79 0.16 -0.92 0.00 0.00 175.35 175.95 1vlf s ASP 611 N -1.71 5.06 0.30 2.83 1.47 -1.26 -4.88 116.67 118.48 1vlf s ASP 611 Ca 0.19 -0.53 0.06 0.00 1.18 0.00 0.00 52.55 53.46 1vlf s ASP 611 Cb -0.11 -0.14 0.76 0.00 -0.34 0.00 0.00 42.92 43.08 1vlf s ASP 611 CO 0.10 -1.32 1.77 -0.33 0.68 0.00 0.00 175.17 176.08 1vlf h GLU 612 N 0.09 0.72 -0.07 2.11 5.08 -1.99 -1.09 114.58 119.44 1vlf h GLU 612 Ca -0.35 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 57.85 1vlf h GLU 612 Cb 1.28 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1vlf h GLU 612 CO 0.43 0.48 -0.50 1.25 -1.00 0.00 0.00 179.01 179.67 1vlf h LEU 613 N 0.74 0.18 -0.48 1.33 5.85 -1.94 -1.96 115.31 119.03 1vlf h LEU 613 Ca 0.59 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 59.11 1vlf h LEU 613 Cb 0.94 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1vlf h LEU 613 CO -0.40 0.66 -0.12 0.00 -0.34 0.00 0.00 178.44 178.24 1vlf h ALA 614 N 1.35 0.66 -0.67 1.25 0.00 -1.58 -2.13 119.26 118.14 1vlf h ALA 614 Ca 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1vlf h ALA 614 Cb 0.93 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1vlf h ALA 614 CO 0.07 0.57 0.09 -1.49 0.00 0.00 0.00 179.25 178.50 1vlf h TRP 615 N 0.78 1.19 -0.84 0.00 4.06 -1.27 -2.44 115.95 117.43 1vlf h TRP 615 Ca 0.12 -0.17 0.03 0.00 2.06 0.00 0.00 58.89 60.93 1vlf h TRP 615 Cb 0.68 -0.32 -0.05 0.00 -1.00 0.00 0.00 29.16 28.46 1vlf h TRP 615 CO 0.05 1.00 0.54 0.00 -3.56 0.00 0.00 178.44 176.47 1vlf h GLU 617 N 1.05 0.73 -0.58 0.00 4.81 -1.17 0.19 114.58 119.60 1vlf h GLU 617 Ca 0.34 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1vlf h GLU 617 Cb 0.01 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1vlf h GLU 617 CO -0.12 0.73 0.24 0.37 -0.73 0.00 0.00 179.01 179.50 1vlf h GLN 618 N 0.60 0.86 -0.10 1.92 4.15 -0.92 -1.87 115.11 119.75 1vlf h GLN 618 Ca 0.14 -0.15 0.03 0.00 0.77 0.00 0.00 58.65 59.44 1vlf h GLN 618 Cb 0.33 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1vlf h GLN 618 CO 0.00 0.73 -0.10 -0.92 -1.93 0.00 0.00 178.83 176.62 1vlf h TYR 619 N 0.80 -0.24 -0.48 3.99 3.20 0.15 -2.59 116.97 121.79 1vlf h TYR 619 Ca 0.19 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.17 1vlf h TYR 619 Cb 0.19 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 1vlf h TYR 619 CO 0.01 -0.15 0.05 0.35 -1.64 0.00 0.00 178.16 176.77 1vlf h PHE 620 N -0.12 0.06 0.00 -3.82 3.57 -0.34 -1.30 116.94 114.98 1vlf h PHE 620 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1vlf h PHE 620 Cb 0.23 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1vlf h PHE 620 CO -0.21 -0.06 0.00 0.09 -2.23 0.00 0.00 178.31 175.90 1vlf n ASN 621 N -5.17 0.39 -0.68 0.41 3.02 -0.73 -1.90 115.26 110.61 1vlf n ASN 621 Ca 0.05 0.61 0.12 0.00 -0.03 0.00 0.00 54.58 55.33 1vlf n ASN 621 Cb 0.25 -0.69 0.36 0.00 -0.61 0.00 0.00 39.78 39.08 1vlf n ASN 621 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vlf n ALA 622 N -1.67 2.51 -3.39 5.41 0.00 -0.49 -4.90 120.51 117.98 1vlf n ALA 622 Ca 0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 53.44 52.85 1vlf n ALA 622 Cb 0.16 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1vlf n ALA 622 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1vlf n THR 623 N 0.59 0.00 1.37 0.00 -2.24 -0.80 -4.73 114.28 108.47 1vlf n THR 623 Ca 0.17 -0.08 0.14 0.00 -2.27 0.00 0.00 64.05 62.01 1vlf n THR 623 Cb 0.41 -0.60 0.46 0.00 -2.10 0.00 0.00 70.33 68.50 1vlf n THR 623 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1vlf n ASP 624 N -2.23 1.20 -0.27 3.42 10.43 -0.62 -4.34 116.55 124.14 1vlf n ASP 624 Ca 0.00 -1.15 0.11 0.00 2.57 0.00 0.00 54.79 56.33 1vlf n ASP 624 Cb 0.02 0.06 0.37 0.00 1.84 0.00 0.00 41.12 43.42 1vlf n ASP 624 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 1vlf h MET 625 N 1.68 0.69 0.00 -1.24 2.86 -1.80 -1.85 114.93 115.27 1vlf h MET 625 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1vlf h MET 625 Cb 0.49 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1vlf h MET 625 CO 0.00 0.46 0.09 -2.30 1.06 0.00 0.00 176.91 176.21 1vlf n PRO 626 N -4.56 0.13 0.24 -0.22 -0.02 -1.25 -0.82 135.00 128.50 1vlf n PRO 626 Ca 0.17 0.63 0.15 0.00 -2.02 0.00 0.00 63.50 62.42 1vlf n PRO 626 Cb 0.45 -2.01 0.45 0.00 -0.02 0.00 0.00 33.50 32.36 1vlf n PRO 626 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1vlf h LYS 627 N 0.00 0.00 0.00 -0.52 1.57 -1.67 -3.34 116.57 112.61 1vlf h LYS 627 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1vlf h LYS 627 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1vlf h LYS 627 CO 0.00 0.00 -1.56 0.66 -0.57 0.00 0.00 179.45 177.98 1vlf n TYR 628 N -3.00 0.00 -3.50 -1.35 4.02 0.00 -5.09 117.16 108.25 1vlf n TYR 628 Ca 0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.76 1vlf n TYR 628 Cb 0.40 -0.39 -0.04 0.00 -0.02 0.00 0.00 39.34 39.29 1vlf n TYR 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1vlf s MET 629 N -2.20 1.13 0.76 -0.72 0.23 -0.69 -5.12 119.30 112.70 1vlf s MET 629 Ca -0.09 -0.10 -0.12 0.00 -1.03 0.00 0.00 55.69 54.35 1vlf s MET 629 Cb 0.03 0.53 0.05 0.00 -1.53 0.00 0.00 34.83 33.90 1vlf s MET 629 CO 0.28 -0.42 1.11 0.95 -2.03 0.00 0.00 175.02 174.91 1vlf s THR 630 N -2.36 3.03 0.18 3.16 -4.23 -1.26 -3.90 115.64 110.27 1vlf s THR 630 Ca -0.06 0.34 -0.13 0.00 -1.18 0.00 0.00 61.69 60.66 1vlf s THR 630 Cb -0.01 -3.26 0.09 0.00 1.34 0.00 0.00 72.50 70.67 1vlf s THR 630 CO -0.01 -0.44 1.76 -0.25 -0.54 0.00 0.00 174.62 175.15 1vlf h TRP 631 N -0.88 0.39 -0.73 3.99 2.91 -1.96 -1.02 115.95 118.64 1vlf h TRP 631 Ca -0.46 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.59 1vlf h TRP 631 Cb 1.28 -0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 29.79 1vlf h TRP 631 CO 0.45 0.16 0.47 -0.44 -1.03 0.00 0.00 178.44 178.04 1vlf h ASP 632 N 0.42 0.85 -0.55 2.65 3.45 -1.99 0.17 116.42 121.43 1vlf h ASP 632 Ca 0.24 -0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.57 1vlf h ASP 632 Cb 0.21 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 1vlf h ASP 632 CO -0.21 0.64 0.02 -0.33 -1.57 0.00 0.00 179.24 177.78 1vlf h GLU 633 N 0.99 0.97 -0.39 3.56 5.08 -1.82 -1.57 114.58 121.40 1vlf h GLU 633 Ca 0.27 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1vlf h GLU 633 Cb -0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1vlf h GLU 633 CO -0.05 0.96 -0.03 0.35 -1.00 0.00 0.00 179.01 179.24 1vlf h PHE 634 N 0.85 0.79 -0.72 4.33 3.57 -0.84 -0.26 116.94 124.66 1vlf h PHE 634 Ca 0.16 -0.15 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1vlf h PHE 634 Cb 0.52 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1vlf h PHE 634 CO 0.04 0.81 0.44 0.35 -2.23 0.00 0.00 178.31 177.72 1vlf h PHE 635 N 0.53 0.82 -0.37 0.41 3.57 -0.52 0.28 116.94 121.66 1vlf h PHE 635 Ca 0.11 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 1vlf h PHE 635 Cb 0.52 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1vlf h PHE 635 CO 0.04 0.45 -0.22 -0.22 -2.23 0.00 0.00 178.31 176.14 1vlf h LYS 636 N 0.85 0.80 -0.30 1.11 3.64 -1.06 -3.23 116.57 118.39 1vlf h LYS 636 Ca 0.30 -0.37 -0.17 0.00 -1.27 0.00 0.00 60.65 59.14 1vlf h LYS 636 Cb 0.06 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1vlf h LYS 636 CO -0.13 1.00 -0.46 -0.22 -2.27 0.00 0.00 179.45 177.37 1vlf h LYS 637 N 0.60 0.84 0.00 1.90 3.64 -0.62 -3.48 116.57 119.45 1vlf h LYS 637 Ca 0.08 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1vlf h LYS 637 Cb 0.78 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1vlf h LYS 637 CO 0.06 1.14 0.00 0.41 -2.27 0.00 0.00 179.45 178.79 1vlf n GLY 638 N 0.30 2.78 3.33 5.01 0.00 0.95 -4.97 105.19 112.59 1vlf n GLY 638 Ca -0.04 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1vlf n GLY 638 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1vlf s TYR 639 N -1.84 -0.24 -0.04 1.61 -0.85 -1.26 0.06 117.35 114.79 1vlf s TYR 639 Ca 0.00 -0.01 -0.02 0.00 -0.52 0.00 0.00 57.07 56.52 1vlf s TYR 639 Cb 0.00 0.27 0.03 0.00 0.38 0.00 0.00 41.96 42.64 1vlf s TYR 639 CO 0.00 -0.69 0.10 0.12 -1.52 0.00 0.00 175.55 173.56 1vlf s PHE 640 N -3.52 -0.09 -0.33 -3.49 5.36 0.12 -4.99 117.98 111.04 1vlf s PHE 640 Ca 0.01 0.31 -0.14 0.00 -0.96 0.00 0.00 56.93 56.16 1vlf s PHE 640 Cb 0.01 -0.08 -0.02 0.00 -0.34 0.00 0.00 43.02 42.59 1vlf s PHE 640 CO -0.10 -0.11 0.28 0.08 -1.46 0.00 0.00 175.22 173.92 1vlf s VAL 641 N 0.78 5.24 0.21 3.12 1.01 -1.26 -1.13 120.40 128.37 1vlf s VAL 641 Ca -0.06 -0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 1vlf s VAL 641 Cb -0.08 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 1vlf s VAL 641 CO -0.03 0.00 1.52 -0.69 0.00 0.00 0.00 175.10 175.89 1vlf s VAL 642 N 1.85 2.59 0.84 2.92 1.01 -0.52 -4.39 120.40 124.72 1vlf s VAL 642 Ca 0.09 0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 1vlf s VAL 642 Cb -0.17 -3.29 0.10 0.00 0.00 0.00 0.00 36.38 33.02 1vlf s VAL 642 CO 0.11 0.05 1.15 -2.84 0.00 0.00 0.00 175.10 173.57 1vlf s PRO 643 N 0.38 1.54 0.48 2.72 0.02 -1.26 -4.67 135.00 134.21 1vlf s PRO 643 Ca 0.65 1.50 -0.19 0.00 0.02 0.00 0.00 61.00 62.99 1vlf s PRO 643 Cb -0.43 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.21 1vlf s PRO 643 CO 0.38 -2.23 0.98 0.34 -0.33 0.00 0.00 177.00 176.13 1vlf s ASP 644 N -2.71 6.70 -0.65 2.53 3.68 -1.26 -4.62 116.67 120.33 1vlf s ASP 644 Ca 0.67 1.65 0.05 0.00 2.13 0.00 0.00 52.55 57.05 1vlf s ASP 644 Cb -0.23 -2.53 0.17 0.00 -1.45 0.00 0.00 42.92 38.89 1vlf s ASP 644 CO 0.55 -0.53 0.46 0.21 0.13 0.00 0.00 175.17 175.99 1vlf s ASN 645 N -2.63 4.31 0.54 -0.34 3.84 -1.26 -4.96 114.94 114.44 1vlf s ASN 645 Ca 0.61 -3.70 0.22 0.00 0.21 0.00 0.00 52.86 50.20 1vlf s ASN 645 Cb -0.10 -1.45 1.48 0.00 -0.55 0.00 0.00 41.25 40.63 1vlf s ASN 645 CO 0.23 -0.10 2.17 -0.65 -2.79 0.00 0.00 177.10 175.96 1vlf h PRO 646 N 5.48 0.00 0.00 0.43 0.11 -1.95 -3.17 132.00 132.90 1vlf h PRO 646 Ca 0.15 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.20 1vlf h PRO 646 Cb 0.78 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1vlf h PRO 646 CO 0.66 0.03 -0.67 -0.91 -0.21 0.00 0.00 178.00 176.91 1vlf h ASN 647 N 0.00 0.00 -3.57 -2.05 2.35 -2.03 -3.47 115.58 106.82 1vlf h ASN 647 Ca -0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 1vlf h ASN 647 Cb 0.06 0.00 0.12 0.00 0.05 0.00 0.00 38.32 38.55 1vlf h ASN 647 CO 0.00 0.27 0.55 -2.11 -1.65 0.00 0.00 177.43 174.49 1vlf n ARG 648 N -3.00 2.10 -2.44 0.81 1.85 -1.20 -4.91 116.66 109.88 1vlf n ARG 648 Ca -0.00 0.74 -0.39 0.00 -1.00 0.00 0.00 57.85 57.20 1vlf n ARG 648 Cb 0.66 -2.42 -0.04 0.00 -1.05 0.00 0.00 32.46 29.61 1vlf n ARG 648 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1vlf s LYS 649 N -2.13 4.40 -0.07 2.89 -2.85 -1.26 -4.99 119.74 115.74 1vlf s LYS 649 Ca 0.59 1.77 -0.26 0.00 -1.00 0.00 0.00 55.97 57.06 1vlf s LYS 649 Cb -0.51 -2.94 -0.03 0.00 -2.06 0.00 0.00 37.83 32.29 1vlf s LYS 649 CO 0.60 0.01 0.85 0.15 0.10 0.00 0.00 175.35 177.05 1vlf s LYS 650 N -1.87 4.45 -0.38 1.78 -0.14 -1.26 -5.02 119.74 117.31 1vlf s LYS 650 Ca 0.50 1.13 0.04 0.00 -1.36 0.00 0.00 55.97 56.28 1vlf s LYS 650 Cb -0.30 -3.49 0.11 0.00 -1.68 0.00 0.00 37.83 32.47 1vlf s LYS 650 CO 0.38 -0.09 0.10 0.95 -0.76 0.00 0.00 175.35 175.94 1vlf s THR 651 N 1.25 2.19 0.22 2.17 -4.23 -1.26 -5.10 115.64 110.88 1vlf s THR 651 Ca 0.43 -2.48 -0.30 0.00 -1.18 0.00 0.00 61.69 58.17 1vlf s THR 651 Cb -0.19 -2.60 -0.09 0.00 1.34 0.00 0.00 72.50 70.97 1vlf s THR 651 CO 0.20 -0.66 1.28 -0.69 -0.54 0.00 0.00 174.62 174.22 1vlf s VAL 652 N 0.69 3.18 -0.02 2.29 1.01 -1.26 -4.30 120.40 122.00 1vlf s VAL 652 Ca 0.12 1.02 -0.39 0.00 0.00 0.00 0.00 61.98 62.74 1vlf s VAL 652 Cb -0.20 -3.65 -0.18 0.00 0.00 0.00 0.00 36.38 32.34 1vlf s VAL 652 CO -0.08 0.18 1.29 0.00 0.00 0.00 0.00 175.10 176.49 1vlf n ALA 653 N 2.22 -1.94 -0.74 5.51 0.00 -0.52 -1.64 120.51 123.40 1vlf n ALA 653 Ca 0.04 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1vlf n ALA 653 Cb 0.43 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1vlf n ALA 653 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vlf n LEU 654 N 2.48 0.99 -0.04 0.00 4.77 -1.26 -4.45 117.00 119.49 1vlf n LEU 654 Ca 0.20 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.16 1vlf n LEU 654 Cb 0.13 -1.96 0.22 0.00 -2.33 0.00 0.00 43.42 39.47 1vlf n LEU 654 CO 0.65 -0.73 0.86 -0.09 -1.33 0.00 0.00 177.39 176.75 1vlf h ARG 655 N 0.01 0.63 -0.85 3.23 2.43 -1.41 -0.60 114.38 117.82 1vlf h ARG 655 Ca 0.00 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1vlf h ARG 655 Cb 0.47 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1vlf h ARG 655 CO 0.00 0.69 0.56 0.11 -1.51 0.00 0.00 179.97 179.83 1vlf h TRP 656 N 0.59 1.06 -0.25 2.20 5.08 -1.88 -0.25 115.95 122.50 1vlf h TRP 656 Ca 0.11 0.03 -0.15 0.00 1.08 0.00 0.00 58.89 59.96 1vlf h TRP 656 Cb 0.46 -0.36 -0.00 0.00 -3.00 0.00 0.00 29.16 26.26 1vlf h TRP 656 CO 0.02 0.66 -0.43 0.35 -1.28 0.00 0.00 178.44 177.76 1vlf h PHE 657 N 1.14 0.92 -0.31 0.12 3.57 -1.60 -0.19 116.94 120.59 1vlf h PHE 657 Ca 0.32 -0.32 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1vlf h PHE 657 Cb -0.11 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 1vlf h PHE 657 CO -0.00 1.10 0.01 0.00 -2.23 0.00 0.00 178.31 177.19 1vlf h ALA 658 N 0.65 1.44 -0.42 2.41 0.00 -0.60 -2.35 119.26 120.39 1vlf h ALA 658 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1vlf h ALA 658 Cb 1.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1vlf h ALA 658 CO 0.10 0.40 0.00 0.39 0.00 0.00 0.00 179.25 180.14 1vlf n GLU 659 N -4.31 2.15 -3.76 0.00 1.02 -0.15 -4.96 120.64 110.63 1vlf n GLU 659 Ca 0.01 -1.77 -0.26 0.00 -0.02 0.00 0.00 57.16 55.12 1vlf n GLU 659 Cb 0.22 -1.42 0.05 0.00 -0.02 0.00 0.00 31.44 30.27 1vlf n GLU 659 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vlf n GLY 660 N 1.31 -0.47 3.60 0.62 0.00 -0.83 -5.00 105.19 104.42 1vlf n GLY 660 Ca 0.17 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 1vlf n GLY 660 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vlf s ARG 661 N -6.34 2.07 0.35 1.61 1.70 -0.14 -5.00 118.95 113.19 1vlf s ARG 661 Ca 0.48 -2.30 -0.29 0.00 -0.47 0.00 0.00 55.73 53.15 1vlf s ARG 661 Cb -0.23 -0.81 -0.11 0.00 -0.57 0.00 0.00 34.95 33.23 1vlf s ARG 661 CO 0.79 -0.51 1.47 -1.21 -1.08 0.00 0.00 175.30 174.76 1vlf s GLU 662 N -3.71 4.16 0.09 3.89 8.01 -1.26 -4.48 118.70 125.39 1vlf s GLU 662 Ca 0.16 2.49 -0.34 0.00 0.01 0.00 0.00 54.97 57.29 1vlf s GLU 662 Cb 0.01 -3.00 -0.14 0.00 -4.31 0.00 0.00 34.13 26.69 1vlf s GLU 662 CO 0.11 -0.48 1.62 1.17 0.01 0.00 0.00 175.26 177.69 1vlf n LYS 663 N 0.88 2.02 0.00 1.61 0.00 -0.91 -4.85 118.16 116.90 1vlf n LYS 663 Ca 0.02 0.73 0.00 0.00 0.00 0.00 0.00 58.31 59.06 1vlf n LYS 663 Cb 0.39 -2.50 0.00 0.00 0.00 0.00 0.00 35.03 32.92 1vlf n LYS 663 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1vlf n ASP 664 N 4.07 1.10 -4.58 3.14 5.75 -1.26 -5.08 116.55 119.70 1vlf n ASP 664 Ca 0.19 -1.32 -0.26 0.00 -0.01 0.00 0.00 54.79 53.38 1vlf n ASP 664 Cb 0.27 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.48 1vlf n ASP 664 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1vlf s THR 665 N -0.32 2.14 -2.06 2.12 -4.23 -1.26 -4.92 115.64 107.11 1vlf s THR 665 Ca 0.00 -0.31 0.12 0.00 -1.18 0.00 0.00 61.69 60.32 1vlf s THR 665 Cb 0.00 -2.83 0.31 0.00 1.34 0.00 0.00 72.50 71.31 1vlf s THR 665 CO 0.00 0.00 1.36 -2.65 -0.54 0.00 0.00 174.62 172.79 1vlf n PRO 666 N -3.16 1.36 -1.22 3.99 -0.02 -1.26 -4.94 135.00 129.76 1vlf n PRO 666 Ca 0.13 -0.56 -0.35 0.00 -2.02 0.00 0.00 63.50 60.70 1vlf n PRO 666 Cb 0.60 -1.22 0.10 0.00 -0.02 0.00 0.00 33.50 32.95 1vlf n PRO 666 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1vlf n ASP 667 N -0.13 -0.08 -0.30 2.55 2.03 -1.26 -4.87 116.55 114.48 1vlf n ASP 667 Ca 0.10 0.59 0.02 0.00 0.52 0.00 0.00 54.79 56.02 1vlf n ASP 667 Cb 0.16 -1.36 0.06 0.00 -0.72 0.00 0.00 41.12 39.26 1vlf n ASP 667 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1vlf n TRP 668 N -2.77 0.21 -3.85 -0.67 7.02 -1.26 -4.89 117.44 111.23 1vlf n TRP 668 Ca 0.12 -0.10 -0.04 0.00 -1.02 0.00 0.00 57.50 56.46 1vlf n TRP 668 Cb 0.50 -0.02 0.01 0.00 -2.42 0.00 0.00 31.31 29.39 1vlf n TRP 668 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1vlf s GLY 669 N -0.92 0.08 0.80 6.99 0.00 -1.26 -4.65 107.32 108.36 1vlf s GLY 669 Ca 0.09 -0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.41 1vlf s GLY 669 CO 0.06 1.70 1.09 2.56 0.00 0.00 0.00 173.10 178.51 1vlf s PRO 670 N -2.38 2.04 0.50 2.90 0.04 -1.26 -5.05 135.00 131.79 1vlf s PRO 670 Ca 0.19 0.89 -0.21 0.00 0.04 0.00 0.00 61.00 61.92 1vlf s PRO 670 Cb -0.03 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 1vlf s PRO 670 CO 0.05 -1.71 1.09 1.03 0.04 0.00 0.00 177.00 177.50 1vlf s ARG 671 N -5.00 3.66 0.39 4.56 0.52 -1.26 -4.92 118.95 116.90 1vlf s ARG 671 Ca 0.61 1.53 0.15 0.00 -0.52 0.00 0.00 55.73 57.50 1vlf s ARG 671 Cb -0.16 -2.15 1.00 0.00 0.52 0.00 0.00 34.95 34.16 1vlf s ARG 671 CO 0.56 -0.58 1.82 -0.07 0.02 0.00 0.00 175.30 177.05 1vlf h LEU 672 N 1.59 0.51 -0.47 2.53 3.38 -1.98 0.82 115.31 121.69 1vlf h LEU 672 Ca -0.50 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1vlf h LEU 672 Cb 1.24 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1vlf h LEU 672 CO 0.59 0.18 0.00 -0.46 0.09 0.00 0.00 178.44 178.84 1vlf n ASN 673 N -4.58 0.59 -1.31 -0.43 0.23 -1.26 -2.54 115.26 105.96 1vlf n ASN 673 Ca 0.21 0.63 0.09 0.00 -0.53 0.00 0.00 54.58 54.98 1vlf n ASN 673 Cb 0.70 -0.76 0.30 0.00 -2.08 0.00 0.00 39.78 37.94 1vlf n ASN 673 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1vlf n ASN 674 N -2.13 3.83 -4.19 0.53 5.03 0.28 -4.93 115.26 113.68 1vlf n ASN 674 Ca 0.03 -2.17 -0.11 0.00 0.87 0.00 0.00 54.58 53.19 1vlf n ASN 674 Cb 0.26 -0.48 -0.10 0.00 -1.02 0.00 0.00 39.78 38.44 1vlf n ASN 674 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1vlf s GLN 675 N -1.43 0.96 -0.28 3.52 -0.21 -1.05 -4.35 119.66 116.83 1vlf s GLN 675 Ca 0.44 -1.45 -0.06 0.00 0.02 0.00 0.00 55.36 54.32 1vlf s GLN 675 Cb 0.26 -0.06 0.01 0.00 1.00 0.00 0.00 33.01 34.22 1vlf s GLN 675 CO 0.26 -0.15 0.04 0.08 -2.12 0.00 0.00 175.29 173.40 1vlf s VAL 676 N -3.80 3.76 -1.49 1.09 1.01 -1.23 -4.49 120.40 115.25 1vlf s VAL 676 Ca 0.21 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 1vlf s VAL 676 Cb 0.07 -2.90 0.07 0.00 0.00 0.00 0.00 36.38 33.62 1vlf s VAL 676 CO 0.01 0.16 0.96 0.00 0.00 0.00 0.00 175.10 176.22 1vlf n ARG 678 N -4.63 -2.95 -4.41 0.00 1.85 -1.26 -4.82 116.66 100.44 1vlf n ARG 678 Ca 0.03 0.35 -0.26 0.00 -1.00 0.00 0.00 57.85 56.97 1vlf n ARG 678 Cb 0.54 -5.06 -0.12 0.00 -1.05 0.00 0.00 32.46 26.77 1vlf n ARG 678 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1vlf s LYS 679 N -6.65 1.48 0.00 2.89 1.02 -0.88 -2.15 119.74 115.46 1vlf s LYS 679 Ca 0.64 -1.51 0.00 0.00 0.02 0.00 0.00 55.97 55.12 1vlf s LYS 679 Cb -0.35 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1vlf s LYS 679 CO 0.79 0.38 0.00 0.41 -0.92 0.00 0.00 175.35 176.01 1vlf n GLY 680 N 0.27 -1.33 3.81 -3.33 0.00 -1.26 -3.56 105.19 99.78 1vlf n GLY 680 Ca -0.13 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 1vlf n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vlf s LEU 681 N -3.66 2.35 0.62 0.99 1.43 0.09 -4.89 118.68 115.60 1vlf s LEU 681 Ca 0.00 1.09 0.40 0.00 -1.03 0.00 0.00 54.13 54.59 1vlf s LEU 681 Cb 0.00 -3.58 2.07 0.00 0.03 0.00 0.00 46.19 44.71 1vlf s LEU 681 CO 0.00 -2.19 2.25 -0.61 0.23 0.00 0.00 176.35 176.04 1vlf h GLN 682 N -1.24 0.00 -7.15 1.70 4.15 -1.76 -3.36 115.11 107.44 1vlf h GLN 682 Ca -0.48 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.40 1vlf h GLN 682 Cb 1.30 0.00 0.19 0.00 0.21 0.00 0.00 27.48 29.18 1vlf h GLN 682 CO 0.61 0.01 0.18 0.25 -1.93 0.00 0.00 178.83 177.96 1vlf n THR 683 N -3.18 1.28 -0.16 2.39 -2.24 -1.26 -4.84 114.28 106.26 1vlf n THR 683 Ca -0.02 -0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 1vlf n THR 683 Cb 0.14 -1.07 0.03 0.00 -2.10 0.00 0.00 70.33 67.33 1vlf n THR 683 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1vlf h THR 684 N -1.22 0.46 0.00 4.28 2.02 -1.90 -0.72 112.91 115.83 1vlf h THR 684 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1vlf h THR 684 Cb 1.29 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1vlf h THR 684 CO 0.43 0.00 0.00 0.71 0.37 0.00 0.00 175.52 177.03 1vlf h THR 685 N -0.03 0.00 0.00 3.16 1.35 -1.91 -3.46 112.91 112.02 1vlf h THR 685 Ca 0.24 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1vlf h THR 685 Cb 0.39 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1vlf h THR 685 CO -0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.35 1vlf n GLY 686 N 0.68 0.84 3.76 5.82 0.00 -0.28 -4.93 105.19 111.08 1vlf n GLY 686 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1vlf n GLY 686 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vlf s LYS 687 N -0.16 2.18 -0.25 1.61 1.02 -1.26 -0.74 119.74 122.14 1vlf s LYS 687 Ca 0.00 -2.08 -0.29 0.00 0.02 0.00 0.00 55.97 53.62 1vlf s LYS 687 Cb 0.00 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 1vlf s LYS 687 CO 0.00 -0.27 1.22 0.08 -0.92 0.00 0.00 175.35 175.46 1vlf s VAL 688 N -2.73 4.32 -0.53 3.17 1.01 -0.04 -4.74 120.40 120.86 1vlf s VAL 688 Ca 0.29 1.54 -0.18 0.00 0.00 0.00 0.00 61.98 63.63 1vlf s VAL 688 Cb 0.03 -4.17 0.08 0.00 0.00 0.00 0.00 36.38 32.33 1vlf s VAL 688 CO 0.16 -0.33 0.58 -1.61 0.00 0.00 0.00 175.10 173.90 1vlf s GLU 689 N 3.74 3.05 0.48 2.72 2.02 0.74 -0.56 118.70 130.88 1vlf s GLU 689 Ca 0.52 -1.23 0.26 0.00 0.02 0.00 0.00 54.97 54.54 1vlf s GLU 689 Cb -0.17 -4.18 1.17 0.00 0.10 0.00 0.00 34.13 31.05 1vlf s GLU 689 CO 0.17 -1.28 1.94 0.74 0.02 0.00 0.00 175.26 176.85 1vlf h PHE 690 N 8.98 0.00 -3.73 1.61 -1.00 -1.39 -3.28 116.94 118.12 1vlf h PHE 690 Ca -0.29 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 59.83 1vlf h PHE 690 Cb 1.10 0.00 -0.39 0.00 3.61 0.00 0.00 35.95 40.27 1vlf h PHE 690 CO 0.74 0.18 -0.74 0.42 -1.61 0.00 0.00 178.31 177.30 1vlf s ILE 691 N -3.91 2.22 0.00 -0.55 1.01 -1.24 -2.13 121.20 116.61 1vlf s ILE 691 Ca -0.01 -2.12 -0.30 0.00 0.00 0.00 0.00 60.65 58.22 1vlf s ILE 691 Cb 0.12 -2.55 -0.06 0.00 0.01 0.00 0.00 42.46 39.98 1vlf s ILE 691 CO 0.61 -0.43 1.56 0.00 0.00 0.00 0.00 174.94 176.68 1vlf s ALA 692 N 0.97 3.63 0.25 9.38 0.00 -0.05 -4.87 121.76 131.07 1vlf s ALA 692 Ca 0.05 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1vlf s ALA 692 Cb -0.19 -3.67 0.31 0.00 0.00 0.00 0.00 23.12 19.57 1vlf s ALA 692 CO -0.07 -1.13 1.67 1.79 0.00 0.00 0.00 175.76 178.02 1vlf h THR 693 N 5.08 1.28 -0.28 0.00 1.35 -1.90 -0.66 112.91 117.78 1vlf h THR 693 Ca -0.40 -1.37 -0.02 0.00 -0.55 0.00 0.00 66.41 64.08 1vlf h THR 693 Cb 1.18 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 1vlf h THR 693 CO 0.93 0.44 0.11 0.77 -0.25 0.00 0.00 175.52 177.52 1vlf h SER 694 N 0.48 0.39 0.47 5.36 4.64 -1.91 -0.91 113.55 122.07 1vlf h SER 694 Ca 0.06 -0.17 -0.11 0.00 -0.47 0.00 0.00 61.79 61.10 1vlf h SER 694 Cb 0.75 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1vlf h SER 694 CO 0.06 0.45 -0.52 -0.07 -0.87 0.00 0.00 176.83 175.88 1vlf h LEU 695 N 0.30 0.06 -0.61 5.97 3.38 -1.88 -1.31 115.31 121.21 1vlf h LEU 695 Ca 0.09 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1vlf h LEU 695 Cb 0.18 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1vlf h LEU 695 CO -0.01 0.56 -0.16 0.50 0.09 0.00 0.00 178.44 179.42 1vlf h LYS 696 N 0.04 0.93 -0.23 1.13 3.64 -0.81 -0.66 116.57 120.60 1vlf h LYS 696 Ca -0.00 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1vlf h LYS 696 Cb 0.93 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1vlf h LYS 696 CO 0.07 1.02 0.09 -0.91 -2.27 0.00 0.00 179.45 177.45 1vlf h ASN 697 N 0.82 0.32 -0.09 4.20 -0.26 -0.85 -1.62 115.58 118.11 1vlf h ASN 697 Ca 0.12 -0.16 0.03 0.00 -0.56 0.00 0.00 56.30 55.73 1vlf h ASN 697 Cb 0.71 -0.08 -0.04 0.00 -1.06 0.00 0.00 38.32 37.85 1vlf h ASN 697 CO 0.05 0.40 -0.14 0.15 -1.06 0.00 0.00 177.43 176.83 1vlf h PHE 698 N 0.23 -0.36 -0.36 1.19 3.57 -0.99 -0.94 116.94 119.28 1vlf h PHE 698 Ca 0.08 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1vlf h PHE 698 Cb 0.18 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1vlf h PHE 698 CO -0.01 -0.21 -0.11 1.05 -2.23 0.00 0.00 178.31 176.80 1vlf h GLU 699 N -0.20 0.63 0.00 1.11 4.11 -1.06 -2.00 114.58 117.17 1vlf h GLU 699 Ca 0.08 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1vlf h GLU 699 Cb 0.30 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1vlf h GLU 699 CO -0.20 0.72 0.00 0.93 0.07 0.00 0.00 179.01 180.53 1vlf h GLU 700 N 0.57 0.00 -0.00 1.06 5.08 -0.96 -1.68 114.58 118.65 1vlf h GLU 700 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1vlf h GLU 700 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1vlf h GLU 700 CO 0.03 0.00 -0.09 1.04 -1.00 0.00 0.00 179.01 178.99 1vlf n GLN 701 N -2.39 0.81 0.00 2.33 6.02 -0.39 -4.90 117.38 118.87 1vlf n GLN 701 Ca 0.03 -0.28 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 1vlf n GLN 701 Cb 0.32 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.08 1vlf n GLN 701 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vlf n GLY 702 N 1.24 0.72 3.38 1.08 0.00 -0.63 -5.04 105.19 105.94 1vlf n GLY 702 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1vlf n GLY 702 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vlf n TYR 703 N -1.07 4.69 -2.40 1.61 4.02 -0.96 -4.99 117.16 118.06 1vlf n TYR 703 Ca 0.00 -3.28 -0.42 0.00 -0.01 0.00 0.00 57.90 54.19 1vlf n TYR 703 Cb 0.00 -2.16 -0.03 0.00 -0.02 0.00 0.00 39.34 37.13 1vlf n TYR 703 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1vlf s ILE 704 N 1.40 3.98 -0.32 -0.72 -1.09 -1.26 -4.12 121.20 119.07 1vlf s ILE 704 Ca 0.42 1.41 0.01 0.00 -2.23 0.00 0.00 60.65 60.27 1vlf s ILE 704 Cb -0.01 -3.91 0.15 0.00 -1.58 0.00 0.00 42.46 37.11 1vlf s ILE 704 CO 0.00 0.10 0.34 -0.62 -1.23 0.00 0.00 174.94 173.53 1vlf s ASP 705 N 1.13 1.29 0.49 3.58 -1.08 -1.26 -4.97 116.67 115.84 1vlf s ASP 705 Ca 0.59 -1.03 0.20 0.00 -0.52 0.00 0.00 52.55 51.79 1vlf s ASP 705 Cb -0.30 0.62 1.24 0.00 -1.46 0.00 0.00 42.92 43.02 1vlf s ASP 705 CO 0.29 -0.33 1.99 -0.08 0.52 0.00 0.00 175.17 177.56 1vlf h GLU 706 N 7.77 0.16 -0.49 4.34 4.81 -2.02 -2.01 114.58 127.15 1vlf h GLU 706 Ca -0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1vlf h GLU 706 Cb 1.07 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1vlf h GLU 706 CO 0.27 0.11 0.00 0.72 -0.73 0.00 0.00 179.01 179.38 1vlf n HIS 707 N -4.43 0.68 -2.96 0.92 8.25 -1.26 -4.20 115.22 112.21 1vlf n HIS 707 Ca 0.09 -0.30 -0.14 0.00 -0.26 0.00 0.00 57.72 57.11 1vlf n HIS 707 Cb 0.49 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.53 1vlf n HIS 707 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1vlf n ARG 708 N 0.58 0.91 -1.88 -0.41 0.63 -0.76 -4.79 116.66 110.95 1vlf n ARG 708 Ca 0.14 -2.60 -0.35 0.00 -0.92 0.00 0.00 57.85 54.12 1vlf n ARG 708 Cb 0.44 -1.36 0.04 0.00 0.45 0.00 0.00 32.46 32.03 1vlf n ARG 708 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1vlf s PRO 709 N -0.81 2.81 0.41 -0.14 0.04 -1.24 -4.82 135.00 131.24 1vlf s PRO 709 Ca 0.32 1.72 0.10 0.00 0.04 0.00 0.00 61.00 63.18 1vlf s PRO 709 Cb 0.28 -1.92 0.87 0.00 0.04 0.00 0.00 34.50 33.77 1vlf s PRO 709 CO -0.10 -1.31 1.98 0.66 0.04 0.00 0.00 177.00 178.27 1vlf h SER 710 N 0.54 0.26 -3.23 6.66 4.64 -1.90 -3.40 113.55 117.11 1vlf h SER 710 Ca -0.49 -0.03 -0.60 0.00 -0.47 0.00 0.00 61.79 60.19 1vlf h SER 710 Cb 1.29 -0.07 -0.11 0.00 -0.31 0.00 0.00 62.40 63.20 1vlf h SER 710 CO 0.54 0.32 -0.43 -0.32 -0.87 0.00 0.00 176.83 176.07 1vlf s MET 711 N -4.97 4.16 -0.13 4.77 -2.45 -1.26 -0.88 119.30 118.53 1vlf s MET 711 Ca -0.06 -0.10 -0.29 0.00 -1.25 0.00 0.00 55.69 53.99 1vlf s MET 711 Cb 0.16 -3.40 -0.06 0.00 1.25 0.00 0.00 34.83 32.78 1vlf s MET 711 CO 0.72 0.32 2.03 -1.58 1.05 0.00 0.00 175.02 177.56 1vlf s HIS 712 N 0.28 1.36 0.33 4.11 2.46 -0.91 -4.94 115.29 117.99 1vlf s HIS 712 Ca 0.11 0.19 0.06 0.00 0.47 0.00 0.00 55.06 55.90 1vlf s HIS 712 Cb -0.12 -4.05 -0.03 0.00 -0.13 0.00 0.00 32.58 28.25 1vlf s HIS 712 CO 0.00 -4.41 0.25 0.95 -2.47 0.00 0.00 174.74 169.07 1vlf s THR 713 N 6.46 0.08 -1.12 0.89 -4.23 -1.26 -5.05 115.64 111.41 1vlf s THR 713 Ca 0.91 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 59.25 1vlf s THR 713 Cb -0.35 -2.48 0.12 0.00 1.34 0.00 0.00 72.50 71.14 1vlf s THR 713 CO 0.36 0.00 1.41 -0.47 -0.54 0.00 0.00 174.62 175.38 1vlf s TYR 714 N -3.47 3.13 -0.32 3.99 5.04 -1.26 -4.92 117.35 119.54 1vlf s TYR 714 Ca 0.38 -1.66 -0.25 0.00 -2.44 0.00 0.00 57.07 53.11 1vlf s TYR 714 Cb 0.03 -4.44 0.01 0.00 0.35 0.00 0.00 41.96 37.90 1vlf s TYR 714 CO 0.25 -1.57 0.85 0.08 -1.34 0.00 0.00 175.55 173.81 1vlf s VAL 715 N 2.84 4.72 0.27 3.14 1.01 -1.26 -5.00 120.40 126.12 1vlf s VAL 715 Ca 0.42 1.23 -0.31 0.00 0.00 0.00 0.00 61.98 63.33 1vlf s VAL 715 Cb -0.02 -4.22 -0.12 0.00 0.00 0.00 0.00 36.38 32.03 1vlf s VAL 715 CO -0.03 -0.34 1.56 -2.65 0.00 0.00 0.00 175.10 173.65 1vlf n PRO 716 N 6.39 2.52 -1.75 2.72 -0.02 -1.26 -4.88 135.00 138.72 1vlf n PRO 716 Ca 0.05 0.90 -0.42 0.00 -2.02 0.00 0.00 63.50 62.01 1vlf n PRO 716 Cb 0.48 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.27 1vlf n PRO 716 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vlf s ALA 717 N 0.09 3.85 -0.45 3.55 0.00 -1.26 -4.87 121.76 122.67 1vlf s ALA 717 Ca 0.66 1.50 0.22 0.00 0.00 0.00 0.00 51.96 54.34 1vlf s ALA 717 Cb -0.54 -3.72 0.98 0.00 0.00 0.00 0.00 23.12 19.85 1vlf s ALA 717 CO 0.47 -1.04 1.66 -2.67 0.00 0.00 0.00 175.76 174.19 1vlf n TRP 718 N 4.73 0.73 -3.49 0.00 4.27 -1.26 -3.31 117.44 119.10 1vlf n TRP 718 Ca 0.16 0.31 -0.27 0.00 -3.89 0.00 0.00 57.50 53.82 1vlf n TRP 718 Cb 0.37 -1.00 -0.09 0.00 -1.36 0.00 0.00 31.31 29.23 1vlf n TRP 718 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 1vlf n GLU 719 N -2.18 1.56 -4.29 -2.67 2.13 -1.26 -4.56 120.64 109.36 1vlf n GLU 719 Ca 0.01 -4.06 -0.16 0.00 0.66 0.00 0.00 57.16 53.62 1vlf n GLU 719 Cb 0.17 -1.94 -0.10 0.00 0.27 0.00 0.00 31.44 29.84 1vlf n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1vlf s SER 720 N -1.51 1.67 0.38 4.31 1.04 -1.21 -4.39 113.70 113.99 1vlf s SER 720 Ca 0.34 -1.17 0.12 0.00 0.48 0.00 0.00 55.95 55.72 1vlf s SER 720 Cb 0.09 0.03 0.77 0.00 0.10 0.00 0.00 66.02 67.01 1vlf s SER 720 CO -0.11 -0.50 1.87 1.56 0.98 0.00 0.00 173.24 177.04 1vlf h GLN 721 N 2.58 0.06 -0.02 4.02 4.20 -1.92 -2.73 115.11 121.30 1vlf h GLN 721 Ca -0.38 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1vlf h GLN 721 Cb 1.21 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1vlf h GLN 721 CO 0.64 0.35 -0.16 0.36 -0.67 0.00 0.00 178.83 179.35 1vlf n LYS 722 N -4.17 1.53 -0.00 1.46 2.85 -1.26 -4.54 118.16 114.03 1vlf n LYS 722 Ca -0.02 -1.20 0.01 0.00 -1.05 0.00 0.00 58.31 56.04 1vlf n LYS 722 Cb 0.36 -1.31 0.01 0.00 -0.65 0.00 0.00 35.03 33.43 1vlf n LYS 722 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1vlf n HIS 723 N 0.47 0.00 -5.07 5.58 8.25 -1.20 -5.02 115.22 118.23 1vlf n HIS 723 Ca 0.09 -0.04 -0.32 0.00 -0.26 0.00 0.00 57.72 57.19 1vlf n HIS 723 Cb 0.40 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.35 1vlf n HIS 723 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1vlf s SER 724 N -0.17 3.50 0.61 0.41 0.15 -1.04 -4.86 113.70 112.32 1vlf s SER 724 Ca 0.01 -0.40 0.37 0.00 0.70 0.00 0.00 55.95 56.63 1vlf s SER 724 Cb 0.01 -1.02 1.99 0.00 -1.71 0.00 0.00 66.02 65.30 1vlf s SER 724 CO 0.02 0.25 2.25 -0.65 1.20 0.00 0.00 173.24 176.31 1vlf h PRO 725 N 6.03 0.00 0.00 5.44 0.11 -1.90 -1.75 132.00 139.94 1vlf h PRO 725 Ca -0.34 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 1vlf h PRO 725 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1vlf h PRO 725 CO 0.50 0.02 -0.08 -0.07 -0.21 0.00 0.00 178.00 178.16 1vlf h LEU 726 N 0.00 0.00 -2.81 2.35 4.07 -1.93 -3.12 115.31 113.86 1vlf h LEU 726 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1vlf h LEU 726 Cb 0.11 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 1vlf h LEU 726 CO 0.00 0.08 -0.00 0.00 -1.08 0.00 0.00 178.44 177.44 1vlf h ALA 727 N 1.92 1.13 -0.14 1.53 0.00 -1.46 0.83 119.26 123.06 1vlf h ALA 727 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1vlf h ALA 727 Cb 0.42 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1vlf h ALA 727 CO 0.01 0.00 -0.01 0.28 0.00 0.00 0.00 179.25 179.53 1vlf h VAL 728 N 0.00 1.27 0.04 0.00 2.07 -1.77 -2.41 116.25 115.45 1vlf h VAL 728 Ca -0.00 -0.90 -0.27 0.00 0.82 0.00 0.00 66.70 66.35 1vlf h VAL 728 Cb 0.02 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1vlf h VAL 728 CO 0.00 0.26 -1.39 0.11 0.02 0.00 0.00 177.57 176.57 1vlf h LYS 729 N -0.02 0.08 -2.88 1.57 1.57 -1.70 -3.40 116.57 111.80 1vlf h LYS 729 Ca 0.04 -0.14 -0.61 0.00 -1.87 0.00 0.00 60.65 58.06 1vlf h LYS 729 Cb 0.41 0.05 -0.41 0.00 0.08 0.00 0.00 32.23 32.37 1vlf h LYS 729 CO 0.01 0.89 -0.70 0.71 -0.57 0.00 0.00 179.45 179.79 1vlf s TYR 730 N -2.65 2.79 -0.21 -1.35 2.02 0.25 -4.68 117.35 113.52 1vlf s TYR 730 Ca -0.04 -3.01 0.29 0.00 -0.37 0.00 0.00 57.07 53.93 1vlf s TYR 730 Cb 0.08 -2.16 1.10 0.00 -0.40 0.00 0.00 41.96 40.58 1vlf s TYR 730 CO 0.83 -0.64 1.84 -1.00 -1.57 0.00 0.00 175.55 175.01 1vlf h PRO 731 N 5.54 0.00 -6.07 -1.71 0.13 -1.45 -3.34 132.00 125.10 1vlf h PRO 731 Ca 0.17 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.74 1vlf h PRO 731 Cb 0.81 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.89 1vlf h PRO 731 CO 0.61 0.00 0.07 -0.51 -0.23 0.00 0.00 178.00 177.94 1vlf s LEU 732 N -5.47 4.35 -0.22 1.56 1.43 -0.50 -4.93 118.68 114.91 1vlf s LEU 732 Ca 0.03 1.20 -0.18 0.00 -1.03 0.00 0.00 54.13 54.16 1vlf s LEU 732 Cb 0.09 -3.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 1vlf s LEU 732 CO 0.51 -0.05 0.50 -0.83 0.23 0.00 0.00 176.35 176.71 1vlf s GLY 733 N 0.47 2.01 -0.10 -3.19 0.00 -0.30 -0.99 107.32 105.23 1vlf s GLY 733 Ca 0.36 -0.47 0.02 0.00 0.00 0.00 0.00 44.72 44.62 1vlf s GLY 733 CO 0.18 1.09 -0.15 -0.29 0.00 0.00 0.00 173.10 173.94 1vlf s MET 734 N 1.78 3.04 0.02 2.90 1.75 0.99 -0.54 119.30 129.24 1vlf s MET 734 Ca 0.23 -0.71 0.06 0.00 -1.25 0.00 0.00 55.69 54.01 1vlf s MET 734 Cb -0.15 -2.50 -0.03 0.00 2.84 0.00 0.00 34.83 34.98 1vlf s MET 734 CO 0.09 0.35 -0.16 -0.48 -0.65 0.00 0.00 175.02 174.17 1vlf s LEU 735 N -0.02 2.67 -0.46 4.11 2.34 -1.07 -2.20 118.68 124.05 1vlf s LEU 735 Ca -0.04 -0.36 0.06 0.00 0.06 0.00 0.00 54.13 53.85 1vlf s LEU 735 Cb -0.14 -1.55 0.20 0.00 -0.56 0.00 0.00 46.19 44.14 1vlf s LEU 735 CO 0.04 0.28 0.46 -1.54 -1.06 0.00 0.00 176.35 174.52 1vlf n SER 736 N 1.72 0.52 -2.99 1.48 3.41 -1.26 -2.75 113.62 113.74 1vlf n SER 736 Ca -0.16 -2.67 -0.14 0.00 -0.26 0.00 0.00 58.87 55.64 1vlf n SER 736 Cb 0.52 -0.62 0.12 0.00 -0.26 0.00 0.00 64.21 63.97 1vlf n SER 736 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1vlf n PRO 737 N 2.06 -2.11 -2.42 4.33 -0.02 -1.26 -3.78 135.00 131.81 1vlf n PRO 737 Ca 0.26 -0.78 -0.40 0.00 -2.02 0.00 0.00 63.50 60.55 1vlf n PRO 737 Cb 0.48 -0.76 -0.04 0.00 -0.02 0.00 0.00 33.50 33.16 1vlf n PRO 737 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1vlf s HIS 738 N -1.87 3.50 0.17 6.00 3.76 -1.26 -1.17 115.29 124.42 1vlf s HIS 738 Ca 0.32 1.66 -0.32 0.00 -0.15 0.00 0.00 55.06 56.56 1vlf s HIS 738 Cb -0.03 -3.34 -0.12 0.00 1.11 0.00 0.00 32.58 30.19 1vlf s HIS 738 CO 0.25 -0.75 1.71 -0.35 -0.85 0.00 0.00 174.74 174.75 1vlf n PRO 739 N 1.12 2.59 -0.12 8.40 -0.04 -1.26 -4.86 135.00 140.83 1vlf n PRO 739 Ca -0.01 0.94 -0.09 0.00 -0.04 0.00 0.00 63.50 64.30 1vlf n PRO 739 Cb 0.44 -2.77 -0.01 0.00 -0.04 0.00 0.00 33.50 31.12 1vlf n PRO 739 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1vlf h ARG 740 N 6.92 0.52 -0.71 0.54 9.65 -1.92 -3.24 114.38 126.13 1vlf h ARG 740 Ca -0.44 -0.07 -0.29 0.00 -1.10 0.00 0.00 59.98 58.08 1vlf h ARG 740 Cb 1.22 -0.10 -0.17 0.00 -1.39 0.00 0.00 29.97 29.53 1vlf h ARG 740 CO 0.94 0.45 0.31 1.19 2.80 0.00 0.00 179.97 185.65 1vlf n PHE 741 N -4.74 2.28 -3.59 2.20 3.01 -1.26 -4.86 117.46 110.50 1vlf n PHE 741 Ca -0.00 -1.47 -0.16 0.00 1.01 0.00 0.00 57.45 56.83 1vlf n PHE 741 Cb 0.09 -0.71 -0.06 0.00 -0.01 0.00 0.00 39.48 38.79 1vlf n PHE 741 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1vlf s SER 742 N -1.48 -0.49 -0.95 4.37 0.15 -1.23 -4.27 113.70 109.79 1vlf s SER 742 Ca 0.53 0.43 -0.16 0.00 0.70 0.00 0.00 55.95 57.45 1vlf s SER 742 Cb 0.44 0.47 0.18 0.00 -1.71 0.00 0.00 66.02 65.40 1vlf s SER 742 CO 0.10 -0.60 1.05 -0.32 1.20 0.00 0.00 173.24 174.67 1vlf s MET 743 N -1.53 3.73 6.67 5.44 1.75 -1.01 -4.51 119.30 129.84 1vlf s MET 743 Ca -0.10 -2.25 0.00 0.00 -1.25 0.00 0.00 55.69 52.09 1vlf s MET 743 Cb -0.01 -4.74 0.00 0.00 2.84 0.00 0.00 34.83 32.91 1vlf s MET 743 CO 0.06 -1.56 0.00 0.72 -0.65 0.00 0.00 175.02 173.58 1vlf n HIS 744 N 5.20 0.00 0.63 4.11 8.25 -1.26 -1.39 115.22 130.76 1vlf n HIS 744 Ca 0.23 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.81 1vlf n HIS 744 Cb 0.47 0.00 0.42 0.00 1.12 0.00 0.00 29.99 32.00 1vlf n HIS 744 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1vlf n THR 745 N 0.00 0.59 -2.69 1.59 -2.24 -1.23 -4.52 114.28 105.78 1vlf n THR 745 Ca 0.00 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1vlf n THR 745 Cb 0.00 -0.63 -0.01 0.00 -2.10 0.00 0.00 70.33 67.59 1vlf n THR 745 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1vlf s MET 746 N -3.11 3.85 0.00 -0.78 -1.94 -0.49 -3.37 119.30 113.46 1vlf s MET 746 Ca 0.10 -1.84 0.00 0.00 -1.71 0.00 0.00 55.69 52.25 1vlf s MET 746 Cb 0.12 -5.32 0.00 0.00 2.01 0.00 0.00 34.83 31.65 1vlf s MET 746 CO 0.58 -2.09 0.00 0.41 -0.01 0.00 0.00 175.02 173.91 1vlf n GLY 747 N 5.58 1.83 3.83 -0.03 0.00 -1.26 -2.40 105.19 112.73 1vlf n GLY 747 Ca 0.39 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 1vlf n GLY 747 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vlf s ASP 748 N 0.00 5.42 0.80 1.61 2.15 -1.22 -4.63 116.67 120.80 1vlf s ASP 748 Ca 0.00 1.53 0.00 0.00 0.43 0.00 0.00 52.55 54.51 1vlf s ASP 748 Cb 0.00 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1vlf s ASP 748 CO 0.00 -1.41 0.00 0.61 -0.17 0.00 0.00 175.17 174.20 1vlf n GLY 749 N -2.16 1.04 2.54 2.66 0.00 -1.26 -4.75 105.19 103.25 1vlf n GLY 749 Ca 0.07 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 1vlf n GLY 749 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vlf n LYS 750 N 0.34 -1.66 -2.72 1.61 5.02 -1.26 -1.16 118.16 118.32 1vlf n LYS 750 Ca 0.00 0.73 -0.20 0.00 -2.02 0.00 0.00 58.31 56.82 1vlf n LYS 750 Cb 0.00 -4.96 0.01 0.00 -0.02 0.00 0.00 35.03 30.06 1vlf n LYS 750 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1vlf n ASN 751 N -0.62 -5.27 -4.82 4.39 5.15 -1.26 -4.42 115.26 108.41 1vlf n ASN 751 Ca -0.09 -0.10 -0.30 0.00 -0.60 0.00 0.00 54.58 53.49 1vlf n ASN 751 Cb 0.49 -4.36 0.08 0.00 -0.53 0.00 0.00 39.78 35.46 1vlf n ASN 751 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1vlf s SER 752 N -2.33 4.78 0.42 1.20 1.04 -0.31 -4.95 113.70 113.55 1vlf s SER 752 Ca 0.14 1.36 0.14 0.00 0.48 0.00 0.00 55.95 58.07 1vlf s SER 752 Cb -0.07 -2.13 0.88 0.00 0.10 0.00 0.00 66.02 64.81 1vlf s SER 752 CO 0.18 -1.79 1.92 1.88 0.98 0.00 0.00 173.24 176.41 1vlf h TYR 753 N -0.96 0.01 -0.07 5.02 0.05 -1.87 -2.58 116.97 116.56 1vlf h TYR 753 Ca -0.46 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.34 1vlf h TYR 753 Cb 1.25 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.99 1vlf h TYR 753 CO 0.50 0.26 0.16 0.52 -1.05 0.00 0.00 178.16 178.55 1vlf h MET 754 N 0.01 0.00 0.00 4.88 2.86 -1.88 -0.50 114.93 120.30 1vlf h MET 754 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1vlf h MET 754 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1vlf h MET 754 CO 0.03 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.09 1vlf n ASN 755 N -3.37 0.65 -0.42 1.22 3.02 -0.97 -2.10 115.26 113.29 1vlf n ASN 755 Ca -0.01 0.68 0.13 0.00 -0.03 0.00 0.00 54.58 55.35 1vlf n ASN 755 Cb 0.24 -0.81 0.35 0.00 -0.61 0.00 0.00 39.78 38.96 1vlf n ASN 755 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1vlf n TYR 756 N -2.24 0.00 -2.20 3.10 4.02 -0.19 -4.40 117.16 115.25 1vlf n TYR 756 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 1vlf n TYR 756 Cb 0.20 -0.05 -0.03 0.00 -0.02 0.00 0.00 39.34 39.44 1vlf n TYR 756 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1vlf s ILE 757 N -2.28 3.33 0.24 -0.72 1.01 -0.89 -4.92 121.20 116.96 1vlf s ILE 757 Ca 0.29 0.99 -0.04 0.00 0.00 0.00 0.00 60.65 61.88 1vlf s ILE 757 Cb 0.20 -3.63 0.21 0.00 0.01 0.00 0.00 42.46 39.24 1vlf s ILE 757 CO 0.44 0.09 1.79 0.11 0.00 0.00 0.00 174.94 177.37 1vlf h LYS 758 N 6.44 0.66 -0.80 2.79 1.57 -1.90 -2.12 116.57 123.21 1vlf h LYS 758 Ca -0.43 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.20 1vlf h LYS 758 Cb 1.21 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.30 1vlf h LYS 758 CO 0.84 0.44 0.14 -3.47 -0.57 0.00 0.00 179.45 176.83 1vlf n ASP 759 N -4.82 4.06 -0.01 0.86 2.03 -1.26 -4.34 116.55 113.07 1vlf n ASP 759 Ca 0.14 -2.80 -0.04 0.00 0.52 0.00 0.00 54.79 52.61 1vlf n ASP 759 Cb 0.31 -0.66 -0.01 0.00 -0.72 0.00 0.00 41.12 40.04 1vlf n ASP 759 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1vlf n HIS 760 N 0.09 0.00 -4.06 -0.67 -0.00 -0.80 -4.97 115.22 104.82 1vlf n HIS 760 Ca 0.26 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.33 1vlf n HIS 760 Cb 1.04 -0.20 -0.11 0.00 -0.12 0.00 0.00 29.99 30.60 1vlf n HIS 760 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1vlf s ARG 761 N -2.18 0.53 -0.15 1.57 0.52 -1.21 -3.91 118.95 114.13 1vlf s ARG 761 Ca -0.11 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.28 1vlf s ARG 761 Cb 0.02 -0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.31 1vlf s ARG 761 CO 0.17 0.01 -0.18 0.08 0.02 0.00 0.00 175.30 175.40 1vlf s VAL 762 N -1.81 2.43 -0.05 3.52 1.01 0.43 -4.68 120.40 121.25 1vlf s VAL 762 Ca -0.08 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 1vlf s VAL 762 Cb -0.07 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1vlf s VAL 762 CO -0.01 0.53 0.93 -0.70 0.00 0.00 0.00 175.10 175.85 1vlf s GLU 763 N 0.81 4.48 -0.18 2.72 2.12 -1.26 0.02 118.70 127.42 1vlf s GLU 763 Ca -0.06 1.30 -0.03 0.00 0.36 0.00 0.00 54.97 56.53 1vlf s GLU 763 Cb -0.15 -3.49 0.06 0.00 0.26 0.00 0.00 34.13 30.80 1vlf s GLU 763 CO -0.01 -0.12 0.05 0.08 -0.54 0.00 0.00 175.26 174.72 1vlf s VAL 764 N 1.33 0.34 -1.30 3.70 1.01 0.14 -4.86 120.40 120.77 1vlf s VAL 764 Ca 0.48 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 1vlf s VAL 764 Cb -0.19 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1vlf s VAL 764 CO 0.23 -0.19 0.91 0.47 0.00 0.00 0.00 175.10 176.52 1vlf n ASP 765 N 5.12 -2.59 0.00 3.32 8.00 -1.26 -2.50 116.55 126.64 1vlf n ASP 765 Ca -0.08 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.72 1vlf n ASP 765 Cb 0.48 -4.59 0.00 0.00 -0.02 0.00 0.00 41.12 36.99 1vlf n ASP 765 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vlf n GLY 766 N -1.47 2.34 3.52 0.44 0.00 -1.26 -5.02 105.19 103.73 1vlf n GLY 766 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1vlf n GLY 766 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vlf s TYR 767 N -2.49 2.91 -0.52 1.61 5.04 -1.04 -5.08 117.35 117.78 1vlf s TYR 767 Ca 0.00 -0.18 -0.20 0.00 -2.44 0.00 0.00 57.07 54.25 1vlf s TYR 767 Cb 0.00 -1.78 0.06 0.00 0.35 0.00 0.00 41.96 40.59 1vlf s TYR 767 CO 0.00 0.15 0.69 0.15 -1.34 0.00 0.00 175.55 175.20 1vlf s LYS 768 N -0.35 3.15 0.26 4.97 1.02 -1.26 0.28 119.74 127.81 1vlf s LYS 768 Ca 0.05 -0.81 -0.12 0.00 0.02 0.00 0.00 55.97 55.11 1vlf s LYS 768 Cb -0.12 -4.11 -0.08 0.00 -0.52 0.00 0.00 37.83 33.00 1vlf s LYS 768 CO 0.02 -1.31 0.62 0.71 -0.92 0.00 0.00 175.35 174.48 1vlf s TYR 769 N 2.90 3.42 0.61 3.18 1.51 0.10 -4.75 117.35 124.31 1vlf s TYR 769 Ca 0.18 1.02 -0.17 0.00 -1.01 0.00 0.00 57.07 57.09 1vlf s TYR 769 Cb -0.18 -2.37 -0.03 0.00 -0.11 0.00 0.00 41.96 39.27 1vlf s TYR 769 CO 0.13 0.21 1.10 -0.46 -1.11 0.00 0.00 175.55 175.42 1vlf s TRP 770 N -1.86 2.71 -0.14 2.71 -0.11 -1.26 -0.43 118.94 120.56 1vlf s TRP 770 Ca 0.49 1.54 -0.08 0.00 1.22 0.00 0.00 56.10 59.28 1vlf s TRP 770 Cb -0.11 -3.18 -0.04 0.00 -1.50 0.00 0.00 33.47 28.64 1vlf s TRP 770 CO 0.20 -1.53 0.14 0.42 -4.62 0.00 0.00 176.95 171.56 1vlf s ILE 771 N -2.16 5.49 -0.10 5.86 1.01 -1.25 -0.57 121.20 129.46 1vlf s ILE 771 Ca 0.68 0.20 0.02 0.00 0.00 0.00 0.00 60.65 61.56 1vlf s ILE 771 Cb -0.21 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 38.86 1vlf s ILE 771 CO 0.35 0.58 -0.16 -0.32 0.00 0.00 0.00 174.94 175.39 1vlf s MET 772 N -0.71 2.28 -0.13 2.79 -2.45 -0.72 -4.45 119.30 115.90 1vlf s MET 772 Ca 0.13 -0.59 -0.18 0.00 -1.25 0.00 0.00 55.69 53.81 1vlf s MET 772 Cb -0.12 -1.90 -0.04 0.00 1.25 0.00 0.00 34.83 34.02 1vlf s MET 772 CO 0.03 -0.02 0.46 1.03 1.05 0.00 0.00 175.02 177.56 1vlf s ARG 773 N 0.87 4.31 -0.02 4.11 0.52 0.11 -1.10 118.95 127.75 1vlf s ARG 773 Ca -0.09 0.40 0.04 0.00 -0.52 0.00 0.00 55.73 55.56 1vlf s ARG 773 Cb -0.15 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 31.86 1vlf s ARG 773 CO 0.00 0.13 -0.14 0.08 0.02 0.00 0.00 175.30 175.39 1vlf s VAL 774 N 0.72 1.15 0.38 3.52 1.01 -0.55 -1.71 120.40 124.92 1vlf s VAL 774 Ca 0.25 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 1vlf s VAL 774 Cb -0.15 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.18 1vlf s VAL 774 CO 0.09 0.33 1.24 0.21 0.00 0.00 0.00 175.10 176.97 1vlf s ASN 775 N -0.25 6.57 0.36 3.32 3.84 -1.26 -0.63 114.94 126.89 1vlf s ASN 775 Ca 0.04 2.51 0.13 0.00 0.21 0.00 0.00 52.86 55.75 1vlf s ASN 775 Cb -0.07 -2.63 0.97 0.00 -0.55 0.00 0.00 41.25 38.97 1vlf s ASN 775 CO -0.00 -0.66 1.76 0.77 -2.79 0.00 0.00 177.10 176.18 1vlf h SER 776 N 2.91 0.58 -0.43 -4.21 4.64 -1.75 -0.95 113.55 114.35 1vlf h SER 776 Ca -0.49 0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 60.89 1vlf h SER 776 Cb 1.23 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1vlf h SER 776 CO 0.63 0.13 0.10 0.40 -0.87 0.00 0.00 176.83 177.22 1vlf h ILE 777 N 0.52 1.23 -0.19 0.95 2.04 -1.90 -0.61 117.51 119.55 1vlf h ILE 777 Ca 0.60 -0.82 -0.17 0.00 1.00 0.00 0.00 64.86 65.48 1vlf h ILE 777 Cb 1.29 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1vlf h ILE 777 CO -0.37 0.29 -0.57 0.44 0.00 0.00 0.00 178.15 177.94 1vlf h ASP 778 N 0.56 0.65 -0.06 1.72 3.32 -1.69 -2.69 116.42 118.23 1vlf h ASP 778 Ca 0.13 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1vlf h ASP 778 Cb 0.33 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1vlf h ASP 778 CO 0.00 1.08 0.03 0.00 -1.72 0.00 0.00 179.24 178.63 1vlf h ALA 779 N 0.93 0.08 -0.55 3.45 0.00 -1.09 -3.05 119.26 119.03 1vlf h ALA 779 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1vlf h ALA 779 Cb 1.12 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1vlf h ALA 779 CO 0.11 -0.35 0.23 1.49 0.00 0.00 0.00 179.25 180.73 1vlf h GLU 780 N -0.04 0.43 0.00 0.00 4.22 -1.08 -0.26 114.58 117.85 1vlf h GLU 780 Ca 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1vlf h GLU 780 Cb 0.14 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1vlf h GLU 780 CO -0.00 0.28 0.00 0.00 -2.18 0.00 0.00 179.01 177.11 1vlf n ALA 781 N -2.40 1.31 0.06 2.92 0.00 -1.02 -1.74 120.51 119.64 1vlf n ALA 781 Ca 0.06 0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.61 1vlf n ALA 781 Cb 0.20 -1.24 0.06 0.00 0.00 0.00 0.00 19.45 18.47 1vlf n ALA 781 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vlf n ARG 782 N -1.92 1.57 -2.39 0.00 1.74 -0.26 -4.98 116.66 110.42 1vlf n ARG 782 Ca 0.01 -1.40 -0.16 0.00 -0.77 0.00 0.00 57.85 55.53 1vlf n ARG 782 Cb 0.10 -1.14 -0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1vlf n ARG 782 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vlf n GLY 783 N 0.20 -0.27 3.71 -0.13 0.00 -0.64 -4.61 105.19 103.45 1vlf n GLY 783 Ca 0.05 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1vlf n GLY 783 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vlf s ILE 784 N -2.83 5.26 0.30 -0.61 1.01 -0.32 -4.96 121.20 119.06 1vlf s ILE 784 Ca 0.04 0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.92 1vlf s ILE 784 Cb -0.02 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 1vlf s ILE 784 CO 0.05 0.46 -0.00 -0.54 0.00 0.00 0.00 174.94 174.90 1vlf s LYS 785 N 0.28 2.15 0.12 2.79 1.02 -1.26 -4.25 119.74 120.59 1vlf s LYS 785 Ca 0.07 -1.59 -0.34 0.00 0.02 0.00 0.00 55.97 54.13 1vlf s LYS 785 Cb -0.11 -2.03 -0.13 0.00 -0.52 0.00 0.00 37.83 35.03 1vlf s LYS 785 CO -0.01 0.25 1.65 -1.71 -0.92 0.00 0.00 175.35 174.61 1vlf n ASN 786 N -0.92 3.25 0.00 2.83 4.05 -1.26 -1.53 115.26 121.69 1vlf n ASN 786 Ca -0.05 1.06 0.00 0.00 0.45 0.00 0.00 54.58 56.04 1vlf n ASN 786 Cb 0.61 -1.43 0.00 0.00 1.23 0.00 0.00 39.78 40.18 1vlf n ASN 786 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1vlf n GLY 787 N 3.66 2.06 3.76 8.20 0.00 0.61 -5.00 105.19 118.47 1vlf n GLY 787 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1vlf n GLY 787 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vlf s ASP 788 N -1.83 5.56 -0.13 1.61 1.01 -0.58 -4.56 116.67 117.75 1vlf s ASP 788 Ca 0.00 2.41 -0.25 0.00 0.71 0.00 0.00 52.55 55.41 1vlf s ASP 788 Cb 0.00 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 1vlf s ASP 788 CO 0.00 -1.35 0.81 -0.76 0.21 0.00 0.00 175.17 174.09 1vlf s LEU 789 N -3.64 4.22 0.27 1.23 1.43 -1.26 -0.66 118.68 120.28 1vlf s LEU 789 Ca 0.72 1.22 0.09 0.00 -1.03 0.00 0.00 54.13 55.13 1vlf s LEU 789 Cb -0.31 -3.23 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 1vlf s LEU 789 CO 0.35 -0.32 -0.13 0.27 0.23 0.00 0.00 176.35 176.75 1vlf s ILE 790 N 1.74 2.03 -0.20 -0.59 -4.36 0.13 -1.16 121.20 118.79 1vlf s ILE 790 Ca 0.39 -2.24 -0.01 0.00 -0.26 0.00 0.00 60.65 58.52 1vlf s ILE 790 Cb -0.17 -2.35 0.01 0.00 1.25 0.00 0.00 42.46 41.20 1vlf s ILE 790 CO 0.15 -0.38 -0.12 -0.60 0.24 0.00 0.00 174.94 174.23 1vlf s ARG 791 N -3.62 3.19 -0.19 0.37 3.52 0.56 -0.44 118.95 122.33 1vlf s ARG 791 Ca 0.28 -0.72 -0.09 0.00 -0.13 0.00 0.00 55.73 55.07 1vlf s ARG 791 Cb -0.00 -2.79 -0.05 0.00 -1.56 0.00 0.00 34.95 30.55 1vlf s ARG 791 CO 0.12 -0.20 0.10 0.00 -0.81 0.00 0.00 175.30 174.51 1vlf s ALA 792 N 1.38 3.56 0.22 6.12 0.00 -0.11 -2.17 121.76 130.76 1vlf s ALA 792 Ca 0.05 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 1vlf s ALA 792 Cb -0.14 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 20.94 1vlf s ALA 792 CO -0.08 0.17 0.50 1.52 0.00 0.00 0.00 175.76 177.87 1vlf s TYR 793 N 0.36 0.13 0.00 0.00 -0.85 -0.29 -1.04 117.35 115.67 1vlf s TYR 793 Ca 0.06 -0.50 0.00 0.00 -0.52 0.00 0.00 57.07 56.11 1vlf s TYR 793 Cb -0.12 0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.52 1vlf s TYR 793 CO -0.01 -0.96 0.00 0.27 -1.52 0.00 0.00 175.55 173.33 1vlf n ASN 794 N -0.36 0.00 0.20 -0.18 0.23 -1.04 -1.54 115.26 112.58 1vlf n ASN 794 Ca -0.06 -0.42 0.14 0.00 -0.53 0.00 0.00 54.58 53.72 1vlf n ASN 794 Cb 0.62 0.00 0.64 0.00 -2.08 0.00 0.00 39.78 38.95 1vlf n ASN 794 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1vlf h ASP 795 N 0.00 0.00 1.38 0.53 3.32 -1.95 -3.09 116.42 116.61 1vlf h ASP 795 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1vlf h ASP 795 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1vlf h ASP 795 CO 0.00 0.00 -0.64 0.03 -1.72 0.00 0.00 179.24 176.91 1vlf h ARG 796 N 0.00 0.00 0.00 3.56 3.08 -1.90 -3.50 114.38 115.62 1vlf h ARG 796 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vlf h ARG 796 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1vlf h ARG 796 CO 0.00 0.18 0.00 0.41 -1.07 0.00 0.00 179.97 179.49 1vlf n GLY 797 N 1.20 -1.31 3.06 0.04 0.00 -1.17 -4.79 105.19 102.22 1vlf n GLY 797 Ca 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 1vlf n GLY 797 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vlf s SER 798 N -4.00 1.03 -0.03 1.61 0.01 -1.26 -2.49 113.70 108.56 1vlf s SER 798 Ca 0.00 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.87 1vlf s SER 798 Cb 0.00 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.22 1vlf s SER 798 CO 0.00 -0.06 -0.01 -0.69 0.41 0.00 0.00 173.24 172.88 1vlf s VAL 799 N -0.89 0.28 -0.13 3.43 1.01 -0.21 -1.71 120.40 122.19 1vlf s VAL 799 Ca -0.03 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 1vlf s VAL 799 Cb -0.07 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1vlf s VAL 799 CO 0.00 0.17 0.46 -0.63 0.00 0.00 0.00 175.10 175.11 1vlf s ILE 800 N 0.97 5.19 0.14 2.22 1.09 0.72 -0.94 121.20 130.58 1vlf s ILE 800 Ca -0.11 0.91 -0.01 0.00 -1.10 0.00 0.00 60.65 60.35 1vlf s ILE 800 Cb -0.14 -3.80 -0.04 0.00 -1.06 0.00 0.00 42.46 37.42 1vlf s ILE 800 CO -0.01 0.31 0.06 -0.76 -0.10 0.00 0.00 174.94 174.44 1vlf s LEU 801 N 0.75 1.73 -0.18 2.97 1.43 0.42 -4.56 118.68 121.24 1vlf s LEU 801 Ca 0.25 -1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.00 1vlf s LEU 801 Cb -0.15 0.30 -0.05 0.00 0.03 0.00 0.00 46.19 46.33 1vlf s LEU 801 CO 0.10 -0.74 0.23 0.00 0.23 0.00 0.00 176.35 176.17 1vlf s ALA 802 N -4.06 3.62 0.16 4.21 0.00 0.26 0.20 121.76 126.15 1vlf s ALA 802 Ca 0.25 -0.57 -0.28 0.00 0.00 0.00 0.00 51.96 51.36 1vlf s ALA 802 Cb 0.07 -2.33 -0.07 0.00 0.00 0.00 0.00 23.12 20.79 1vlf s ALA 802 CO 0.03 0.06 0.88 0.00 0.00 0.00 0.00 175.76 176.73 1vlf s ALA 803 N 0.54 3.35 -0.30 0.00 0.00 0.16 -1.76 121.76 123.75 1vlf s ALA 803 Ca 0.13 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.61 1vlf s ALA 803 Cb -0.12 -3.14 0.09 0.00 0.00 0.00 0.00 23.12 19.95 1vlf s ALA 803 CO 0.02 0.15 0.02 -1.14 0.00 0.00 0.00 175.76 174.81 1vlf s GLN 804 N -0.70 1.43 -0.03 0.00 0.74 -0.26 -0.28 119.66 120.56 1vlf s GLN 804 Ca 0.41 -1.44 -0.30 0.00 0.05 0.00 0.00 55.36 54.08 1vlf s GLN 804 Cb -0.24 -2.77 -0.03 0.00 1.10 0.00 0.00 33.01 31.07 1vlf s GLN 804 CO 0.29 -0.83 1.13 0.08 -0.55 0.00 0.00 175.29 175.41 1vlf s VAL 805 N 1.19 4.39 0.27 1.34 1.01 -1.26 -1.48 120.40 125.87 1vlf s VAL 805 Ca 0.05 1.71 -0.00 0.00 0.00 0.00 0.00 61.98 63.73 1vlf s VAL 805 Cb -0.19 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1vlf s VAL 805 CO -0.11 0.05 0.28 0.28 0.00 0.00 0.00 175.10 175.59 1vlf s THR 806 N 1.77 0.00 -1.16 3.92 -1.32 0.20 -4.91 115.64 114.14 1vlf s THR 806 Ca 0.55 -1.86 0.09 0.00 -1.21 0.00 0.00 61.69 59.26 1vlf s THR 806 Cb -0.24 -2.49 0.07 0.00 -1.51 0.00 0.00 72.50 68.33 1vlf s THR 806 CO 0.24 0.00 0.79 -0.62 -2.21 0.00 0.00 174.62 172.82 1vlf n GLU 807 N -0.44 0.39 0.00 7.08 -0.58 -1.26 -1.98 120.64 123.86 1vlf n GLU 807 Ca 0.03 -1.04 0.00 0.00 -0.42 0.00 0.00 57.16 55.73 1vlf n GLU 807 Cb 0.64 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 1vlf n GLU 807 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vlf s LEU 809 N 0.00 0.16 0.35 0.00 1.43 -1.26 -1.59 118.68 117.78 1vlf s LEU 809 Ca 0.00 0.91 -0.28 0.00 -1.03 0.00 0.00 54.13 53.73 1vlf s LEU 809 Cb 0.00 1.67 -0.10 0.00 0.03 0.00 0.00 46.19 47.79 1vlf s LEU 809 CO 0.00 -0.20 1.26 -1.58 0.23 0.00 0.00 176.35 176.05 1vlf s GLN 810 N 0.10 4.25 0.24 1.70 0.74 -1.26 -4.74 119.66 120.70 1vlf s GLN 810 Ca -0.01 2.09 -0.31 0.00 0.05 0.00 0.00 55.36 57.17 1vlf s GLN 810 Cb -0.03 -2.95 -0.14 0.00 1.10 0.00 0.00 33.01 30.99 1vlf s GLN 810 CO 0.01 -0.23 1.28 -2.30 -0.55 0.00 0.00 175.29 173.51 1vlf n PRO 811 N 0.57 1.73 0.00 1.67 -0.02 -1.26 -1.72 135.00 135.97 1vlf n PRO 811 Ca 0.01 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1vlf n PRO 811 Cb 0.43 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1vlf n PRO 811 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vlf n GLY 812 N 1.87 0.19 3.34 -1.23 0.00 -1.26 -5.07 105.19 103.04 1vlf n GLY 812 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1vlf n GLY 812 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vlf s THR 813 N -2.00 2.55 0.22 2.61 2.01 -0.70 -1.15 115.64 119.18 1vlf s THR 813 Ca 0.00 -0.88 0.11 0.00 0.31 0.00 0.00 61.69 61.23 1vlf s THR 813 Cb 0.00 -1.99 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 1vlf s THR 813 CO 0.00 0.56 -0.21 0.68 -0.69 0.00 0.00 174.62 174.97 1vlf s VAL 814 N -0.17 2.25 -0.01 3.82 -7.23 0.29 -4.27 120.40 115.08 1vlf s VAL 814 Ca -0.02 -2.15 0.01 0.00 -1.81 0.00 0.00 61.98 58.01 1vlf s VAL 814 Cb -0.14 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.69 1vlf s VAL 814 CO 0.03 -0.28 -0.03 -2.28 -0.31 0.00 0.00 175.10 172.23 1vlf s HIS 815 N -2.11 0.37 -0.25 2.82 5.04 -0.69 -2.61 115.29 117.85 1vlf s HIS 815 Ca 0.23 -0.06 -0.10 0.00 -1.54 0.00 0.00 55.06 53.60 1vlf s HIS 815 Cb -0.06 -0.31 0.11 0.00 0.04 0.00 0.00 32.58 32.36 1vlf s HIS 815 CO 0.11 -0.06 0.56 0.45 -2.34 0.00 0.00 174.74 173.46 1vlf s SER 816 N 0.31 -0.78 0.71 9.88 0.15 -1.11 0.09 113.70 122.94 1vlf s SER 816 Ca -0.03 1.33 -0.16 0.00 0.70 0.00 0.00 55.95 57.78 1vlf s SER 816 Cb -0.06 1.76 0.02 0.00 -1.71 0.00 0.00 66.02 66.03 1vlf s SER 816 CO -0.01 -0.22 1.26 -0.31 1.20 0.00 0.00 173.24 175.16 1vlf s TYR 817 N 2.52 1.97 0.00 3.44 4.12 -1.26 -4.09 117.35 124.05 1vlf s TYR 817 Ca -0.05 1.55 0.00 0.00 0.02 0.00 0.00 57.07 58.59 1vlf s TYR 817 Cb -0.11 -3.62 0.00 0.00 -1.52 0.00 0.00 41.96 36.71 1vlf s TYR 817 CO -0.17 -2.91 0.00 -0.85 0.02 0.00 0.00 175.55 171.64 1vlf n GLU 818 N -2.43 0.88 -1.28 -0.62 -0.00 -0.32 -4.72 120.64 112.16 1vlf n GLU 818 Ca 0.15 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 57.24 1vlf n GLU 818 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.90 1vlf n GLU 818 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1vlf n SER 819 N -2.81 -3.76 -4.69 -1.84 7.64 -0.80 -4.17 113.62 103.20 1vlf n SER 819 Ca 0.00 0.16 -0.45 0.00 1.01 0.00 0.00 58.87 59.59 1vlf n SER 819 Cb 0.00 -1.98 -0.04 0.00 -1.01 0.00 0.00 64.21 61.18 1vlf n SER 819 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vlf n ALA 821 N 3.43 2.90 -2.82 0.00 0.00 -1.26 -4.31 120.51 118.46 1vlf n ALA 821 Ca 0.16 -0.22 -0.36 0.00 0.00 0.00 0.00 53.44 53.02 1vlf n ALA 821 Cb 0.31 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 1vlf n ALA 821 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vlf s VAL 822 N -3.09 4.85 -0.30 0.00 1.01 -1.26 -2.98 120.40 118.62 1vlf s VAL 822 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 1vlf s VAL 822 Cb 0.15 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 33.31 1vlf s VAL 822 CO 0.67 0.35 0.04 -0.47 0.00 0.00 0.00 175.10 175.69 1vlf s TYR 823 N 1.23 3.20 -0.49 5.22 5.04 -1.26 -3.99 117.35 126.30 1vlf s TYR 823 Ca 0.06 -1.49 0.04 0.00 -2.44 0.00 0.00 57.07 53.24 1vlf s TYR 823 Cb -0.14 -2.18 0.16 0.00 0.35 0.00 0.00 41.96 40.15 1vlf s TYR 823 CO 0.05 -0.72 0.36 0.34 -1.34 0.00 0.00 175.55 174.23 1vlf s ASP 824 N 1.37 2.68 0.33 4.32 2.15 -1.26 -4.78 116.67 121.47 1vlf s ASP 824 Ca -0.02 -3.15 -0.29 0.00 0.43 0.00 0.00 52.55 49.53 1vlf s ASP 824 Cb -0.19 -0.81 -0.11 0.00 -0.30 0.00 0.00 42.92 41.52 1vlf s ASP 824 CO 0.00 -0.17 1.43 -2.84 -0.17 0.00 0.00 175.17 173.42 1vlf s PRO 825 N -0.22 4.22 0.18 4.34 0.02 -1.26 -1.89 135.00 140.39 1vlf s PRO 825 Ca 0.28 2.41 0.25 0.00 0.02 0.00 0.00 61.00 63.95 1vlf s PRO 825 Cb -0.04 -3.03 0.46 0.00 0.02 0.00 0.00 34.50 31.92 1vlf s PRO 825 CO -0.15 -0.41 1.47 -0.07 -0.33 0.00 0.00 177.00 177.51 1vlf h LEU 826 N 3.64 0.00 0.00 -5.54 3.38 -1.38 -3.43 115.31 111.97 1vlf h LEU 826 Ca -0.49 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1vlf h LEU 826 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1vlf h LEU 826 CO 0.68 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.88 1vlf n GLY 827 N 1.30 5.47 3.77 0.83 0.00 -1.26 -4.93 105.19 110.36 1vlf n GLY 827 Ca 0.04 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 1vlf n GLY 827 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vlf s THR 828 N 1.80 2.28 0.31 2.61 2.01 -1.26 -4.42 115.64 118.98 1vlf s THR 828 Ca 0.00 0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.97 1vlf s THR 828 Cb 0.00 -3.17 -0.12 0.00 0.01 0.00 0.00 72.50 69.22 1vlf s THR 828 CO 0.00 0.06 1.46 0.00 -0.69 0.00 0.00 174.62 175.45 1vlf n ALA 829 N 1.15 1.90 -0.50 7.40 0.00 -1.26 -1.69 120.51 127.51 1vlf n ALA 829 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1vlf n ALA 829 Cb 0.40 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1vlf n ALA 829 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vlf n GLY 830 N 1.47 0.98 0.00 0.00 0.00 -1.26 -4.74 105.19 101.63 1vlf n GLY 830 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1vlf n GLY 830 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vlf n LYS 831 N -2.00 0.59 -4.25 1.61 5.02 -0.68 -4.83 118.16 113.62 1vlf n LYS 831 Ca 0.00 -0.74 -0.15 0.00 -2.02 0.00 0.00 58.31 55.40 1vlf n LYS 831 Cb 0.00 -0.85 -0.09 0.00 -0.02 0.00 0.00 35.03 34.07 1vlf n LYS 831 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1vlf s SER 832 N -0.32 0.83 0.48 4.39 1.04 -1.04 -2.30 113.70 116.77 1vlf s SER 832 Ca 0.00 -1.50 -0.24 0.00 0.48 0.00 0.00 55.95 54.69 1vlf s SER 832 Cb 0.00 0.40 -0.07 0.00 0.10 0.00 0.00 66.02 66.45 1vlf s SER 832 CO 0.00 -0.89 1.33 0.00 0.98 0.00 0.00 173.24 174.66 1vlf s ALA 833 N -3.87 3.04 -0.09 5.32 0.00 -0.14 -4.70 121.76 121.33 1vlf s ALA 833 Ca 0.39 1.27 -0.01 0.00 0.00 0.00 0.00 51.96 53.61 1vlf s ALA 833 Cb 0.06 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1vlf s ALA 833 CO 0.17 -1.09 -0.03 0.34 0.00 0.00 0.00 175.76 175.14 1vlf s ASP 834 N -0.87 4.92 0.00 0.00 2.15 -0.69 -1.04 116.67 121.14 1vlf s ASP 834 Ca 0.64 0.04 0.10 0.00 0.43 0.00 0.00 52.55 53.76 1vlf s ASP 834 Cb -0.39 -1.37 0.12 0.00 -0.30 0.00 0.00 42.92 40.99 1vlf s ASP 834 CO 0.48 0.35 0.90 -2.11 -0.17 0.00 0.00 175.17 174.62 1vlf n ARG 835 N 2.33 0.93 -0.19 4.34 1.85 -0.79 -0.20 116.66 124.92 1vlf n ARG 835 Ca -0.18 -1.29 -0.10 0.00 -1.00 0.00 0.00 57.85 55.28 1vlf n ARG 835 Cb 0.53 -1.20 0.01 0.00 -1.05 0.00 0.00 32.46 30.76 1vlf n ARG 835 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1vlf h GLY 836 N 1.89 1.05 0.00 2.89 0.00 -1.75 -3.43 103.07 103.73 1vlf h GLY 836 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1vlf h GLY 836 CO 0.00 0.72 0.00 0.61 0.00 0.00 0.00 176.54 177.87 1vlf n GLY 837 N -0.38 1.98 3.58 4.60 0.00 -1.26 -4.41 105.19 109.31 1vlf n GLY 837 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1vlf n GLY 837 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vlf h ILE 839 N 5.72 0.66 0.00 0.00 1.08 -1.88 -1.04 117.51 122.05 1vlf h ILE 839 Ca 0.40 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.87 1vlf h ILE 839 Cb 0.89 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 1vlf h ILE 839 CO 1.41 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 179.46 1vlf n ASN 840 N -4.23 0.00 0.17 1.72 3.02 -1.26 -0.83 115.26 113.84 1vlf n ASN 840 Ca 0.09 -0.26 0.02 0.00 -0.03 0.00 0.00 54.58 54.40 1vlf n ASN 840 Cb 0.59 -0.04 0.28 0.00 -0.61 0.00 0.00 39.78 40.00 1vlf n ASN 840 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1vlf h ILE 841 N 0.00 1.20 0.00 2.41 2.04 -1.41 -1.43 117.51 120.32 1vlf h ILE 841 Ca 0.00 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.15 1vlf h ILE 841 Cb 0.01 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1vlf h ILE 841 CO 0.00 0.47 -0.81 0.18 0.00 0.00 0.00 178.15 177.99 1vlf n LEU 842 N -3.77 0.64 -4.80 1.44 4.77 -0.01 -4.14 117.00 111.14 1vlf n LEU 842 Ca -0.01 -0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.55 1vlf n LEU 842 Cb 0.53 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1vlf n LEU 842 CO 0.39 0.10 0.68 0.42 -1.33 0.00 0.00 177.39 177.65 1vlf s THR 843 N -3.09 4.07 0.24 -5.08 -4.23 -1.22 -4.80 115.64 101.52 1vlf s THR 843 Ca 0.07 1.45 -0.30 0.00 -1.18 0.00 0.00 61.69 61.73 1vlf s THR 843 Cb 0.16 -3.68 -0.10 0.00 1.34 0.00 0.00 72.50 70.22 1vlf s THR 843 CO 0.77 -0.12 1.40 -2.16 -0.54 0.00 0.00 174.62 173.96 1vlf s PRO 844 N -2.78 4.31 0.00 3.99 0.04 -1.26 -0.65 135.00 138.64 1vlf s PRO 844 Ca 0.59 2.23 0.26 0.00 0.04 0.00 0.00 61.00 64.12 1vlf s PRO 844 Cb -0.16 -3.13 0.68 0.00 0.04 0.00 0.00 34.50 31.93 1vlf s PRO 844 CO 0.20 -0.37 1.52 -0.40 0.04 0.00 0.00 177.00 178.00 1vlf n ASP 845 N 2.39 1.59 -4.73 6.66 3.85 -1.26 -4.53 116.55 120.51 1vlf n ASP 845 Ca 0.06 -1.33 -0.42 0.00 -0.71 0.00 0.00 54.79 52.39 1vlf n ASP 845 Cb 0.41 0.12 -0.03 0.00 -1.35 0.00 0.00 41.12 40.27 1vlf n ASP 845 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 1vlf s ARG 846 N -2.26 4.28 0.78 0.11 3.52 -1.26 -4.97 118.95 119.16 1vlf s ARG 846 Ca 0.29 2.25 -0.14 0.00 -0.13 0.00 0.00 55.73 57.99 1vlf s ARG 846 Cb 0.20 -3.15 0.06 0.00 -1.56 0.00 0.00 34.95 30.50 1vlf s ARG 846 CO 0.43 -0.43 1.19 0.66 -0.81 0.00 0.00 175.30 176.34 1vlf n TYR 847 N 2.89 1.30 -0.26 5.12 0.53 -1.26 -4.43 117.16 121.06 1vlf n TYR 847 Ca 0.09 0.41 0.05 0.00 -1.02 0.00 0.00 57.90 57.42 1vlf n TYR 847 Cb 0.40 -2.13 0.18 0.00 -1.03 0.00 0.00 39.34 36.77 1vlf n TYR 847 CO 0.00 0.00 0.00 0.82 -1.02 0.00 0.00 176.86 176.66 1vlf h ILE 848 N -0.67 0.69 -4.57 -0.72 2.04 -1.28 -3.44 117.51 109.56 1vlf h ILE 848 Ca -0.47 -0.16 -0.37 0.00 1.00 0.00 0.00 64.86 64.86 1vlf h ILE 848 Cb 1.31 0.18 -0.11 0.00 -0.74 0.00 0.00 36.82 37.45 1vlf h ILE 848 CO 0.47 0.09 -0.39 -0.94 0.00 0.00 0.00 178.15 177.38 1vlf s SER 849 N -5.37 1.23 0.26 1.72 1.04 -1.08 -4.96 113.70 106.54 1vlf s SER 849 Ca -0.12 -1.61 -0.04 0.00 0.48 0.00 0.00 55.95 54.66 1vlf s SER 849 Cb 0.20 0.58 0.36 0.00 0.10 0.00 0.00 66.02 67.27 1vlf s SER 849 CO 0.76 -1.13 1.88 0.50 0.98 0.00 0.00 173.24 176.23 1vlf h LYS 850 N 2.17 1.12 0.00 4.02 3.64 -1.92 -3.17 116.57 122.43 1vlf h LYS 850 Ca -0.27 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1vlf h LYS 850 Cb 1.24 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1vlf h LYS 850 CO 0.39 0.74 -0.49 0.66 -2.27 0.00 0.00 179.45 178.47 1vlf n TYR 851 N -4.52 0.00 -2.82 1.91 4.01 -1.26 -4.79 117.16 109.70 1vlf n TYR 851 Ca 0.14 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.45 1vlf n TYR 851 Cb 0.16 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 1vlf n TYR 851 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1vlf s ALA 852 N -1.91 3.17 -1.46 -0.72 0.00 -1.20 -4.62 121.76 115.01 1vlf s ALA 852 Ca 0.03 -2.58 -0.09 0.00 0.00 0.00 0.00 51.96 49.32 1vlf s ALA 852 Cb 0.07 -4.18 -0.06 0.00 0.00 0.00 0.00 23.12 18.94 1vlf s ALA 852 CO 0.38 -3.16 2.91 0.00 0.00 0.00 0.00 175.76 175.89 1vlf s GLY 854 N 1.83 2.46 0.20 0.00 0.00 -1.26 -4.91 107.32 105.64 1vlf s GLY 854 Ca 0.67 -2.27 -0.23 0.00 0.00 0.00 0.00 44.72 42.88 1vlf s GLY 854 CO -0.06 -2.09 0.77 -3.16 0.00 0.00 0.00 173.10 168.56 1vlf s MET 855 N -3.70 4.45 -0.26 2.90 0.23 -1.26 -2.08 119.30 119.58 1vlf s MET 855 Ca 0.35 1.07 0.09 0.00 -1.03 0.00 0.00 55.69 56.16 1vlf s MET 855 Cb 0.09 -3.07 0.45 0.00 -1.53 0.00 0.00 34.83 30.76 1vlf s MET 855 CO 0.18 0.48 1.26 0.00 -2.03 0.00 0.00 175.02 174.91 1vlf n ALA 856 N 1.17 4.32 -0.24 3.16 0.00 -1.26 -3.91 120.51 123.74 1vlf n ALA 856 Ca -0.04 -3.47 0.03 0.00 0.00 0.00 0.00 53.44 49.96 1vlf n ALA 856 Cb 0.50 -0.43 0.12 0.00 0.00 0.00 0.00 19.45 19.64 1vlf n ALA 856 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1vlf h ASN 857 N 1.46 -0.44 0.00 0.00 4.21 -1.77 -3.10 115.58 115.93 1vlf h ASN 857 Ca 0.18 0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.88 1vlf h ASN 857 Cb 1.27 0.37 0.00 0.00 -1.12 0.00 0.00 38.32 38.84 1vlf h ASN 857 CO 0.37 -0.19 0.00 0.59 -1.29 0.00 0.00 177.43 176.91 1vlf n ASN 858 N -5.38 0.12 -3.71 5.81 3.02 -0.59 -3.95 115.26 110.58 1vlf n ASN 858 Ca 0.11 -0.66 -0.29 0.00 -0.03 0.00 0.00 54.58 53.71 1vlf n ASN 858 Cb 0.42 -0.06 -0.15 0.00 -0.61 0.00 0.00 39.78 39.38 1vlf n ASN 858 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1vlf s THR 859 N -1.64 0.72 -0.02 3.41 -4.23 -1.17 -4.37 115.64 108.34 1vlf s THR 859 Ca 0.00 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1vlf s THR 859 Cb 0.00 -1.50 0.03 0.00 1.34 0.00 0.00 72.50 72.36 1vlf s THR 859 CO 0.00 -0.61 0.03 0.00 -0.54 0.00 0.00 174.62 173.49 1vlf s ALA 860 N 1.71 0.08 -0.13 3.99 0.00 -0.93 -4.62 121.76 121.86 1vlf s ALA 860 Ca 0.08 0.27 -0.14 0.00 0.00 0.00 0.00 51.96 52.17 1vlf s ALA 860 Cb -0.17 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 1vlf s ALA 860 CO -0.24 -0.10 0.32 -0.51 0.00 0.00 0.00 175.76 175.23 1vlf s LEU 861 N 0.97 4.29 0.25 0.00 1.43 -1.26 -0.01 118.68 124.34 1vlf s LEU 861 Ca -0.08 0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 53.60 1vlf s LEU 861 Cb -0.12 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 1vlf s LEU 861 CO -0.03 0.14 0.27 0.68 0.23 0.00 0.00 176.35 177.64 1vlf s VAL 862 N 0.18 0.00 0.05 -1.59 -7.23 -0.16 -4.78 120.40 106.87 1vlf s VAL 862 Ca 0.19 -1.82 0.04 0.00 -1.81 0.00 0.00 61.98 58.57 1vlf s VAL 862 Cb -0.14 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 1vlf s VAL 862 CO 0.06 0.00 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.04 1vlf s GLU 863 N -3.88 0.70 0.09 4.82 2.56 -0.59 -1.41 118.70 121.00 1vlf s GLU 863 Ca 0.35 -0.80 0.04 0.00 0.00 0.00 0.00 54.97 54.56 1vlf s GLU 863 Cb 0.04 -0.61 -0.03 0.00 2.00 0.00 0.00 34.13 35.52 1vlf s GLU 863 CO 0.15 0.14 -0.12 0.96 -0.56 0.00 0.00 175.26 175.83 1vlf s ILE 864 N -1.18 1.04 0.15 -3.70 -4.36 -1.26 -1.13 121.20 110.76 1vlf s ILE 864 Ca -0.04 -1.55 -0.20 0.00 -0.26 0.00 0.00 60.65 58.59 1vlf s ILE 864 Cb -0.09 -1.29 0.06 0.00 1.25 0.00 0.00 42.46 42.38 1vlf s ILE 864 CO 0.01 -0.44 0.53 -1.83 0.24 0.00 0.00 174.94 173.45 1vlf s GLU 865 N -2.46 1.20 0.36 0.37 -1.05 -0.92 -4.98 118.70 111.23 1vlf s GLU 865 Ca 0.04 -0.56 -0.28 0.00 -0.15 0.00 0.00 54.97 54.01 1vlf s GLU 865 Cb -0.05 0.55 -0.11 0.00 -0.44 0.00 0.00 34.13 34.07 1vlf s GLU 865 CO 0.01 -0.51 1.44 0.15 0.95 0.00 0.00 175.26 177.30 1vlf s LYS 866 N -3.77 4.18 -0.06 -4.83 1.02 -1.26 -0.33 119.74 114.69 1vlf s LYS 866 Ca 0.02 2.47 -0.30 0.00 0.02 0.00 0.00 55.97 58.18 1vlf s LYS 866 Cb 0.00 -3.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.28 1vlf s LYS 866 CO -0.13 -0.43 1.20 -0.46 -0.92 0.00 0.00 175.35 174.61 1vlf s TRP 867 N -1.11 3.18 -1.65 3.18 -0.00 -0.31 -4.65 118.94 117.58 1vlf s TRP 867 Ca 0.52 1.20 0.30 0.00 -0.00 0.00 0.00 56.10 58.12 1vlf s TRP 867 Cb -0.45 -3.43 1.38 0.00 -0.00 0.00 0.00 33.47 30.98 1vlf s TRP 867 CO 0.60 -1.33 1.95 -0.40 -0.00 0.00 0.00 176.95 177.77 1vlf n ASP 868 N 5.24 0.32 0.00 5.86 5.75 -1.26 -4.92 116.55 127.54 1vlf n ASP 868 Ca 0.11 -0.53 0.00 0.00 -0.01 0.00 0.00 54.79 54.36 1vlf n ASP 868 Cb 0.46 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1vlf n ASP 868 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vlf n GLY 869 N 1.24 0.51 3.81 6.12 0.00 -1.26 -5.08 105.19 110.54 1vlf n GLY 869 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1vlf n GLY 869 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vlf s ASP 870 N -2.67 5.25 0.01 1.61 3.68 -1.26 -4.97 116.67 118.32 1vlf s ASP 870 Ca 0.00 1.65 0.23 0.00 2.13 0.00 0.00 52.55 56.57 1vlf s ASP 870 Cb 0.00 -2.50 0.22 0.00 -1.45 0.00 0.00 42.92 39.19 1vlf s ASP 870 CO 0.00 -1.53 1.21 2.29 0.13 0.00 0.00 175.17 177.27 1vlf n LYS 871 N -3.17 0.04 -3.73 4.34 2.85 -1.26 -4.96 118.16 112.27 1vlf n LYS 871 Ca 0.08 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.01 1vlf n LYS 871 Cb 0.53 -1.51 0.04 0.00 -0.65 0.00 0.00 35.03 33.44 1vlf n LYS 871 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1vlf n TYR 872 N -1.56 -1.87 -2.66 5.58 4.02 -1.26 -0.97 117.16 118.44 1vlf n TYR 872 Ca 0.05 0.43 -0.43 0.00 -0.01 0.00 0.00 57.90 57.93 1vlf n TYR 872 Cb 0.35 -3.32 0.00 0.00 -0.02 0.00 0.00 39.34 36.35 1vlf n TYR 872 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1vlf n GLU 873 N -4.16 3.29 0.00 -0.72 2.13 -1.26 -3.46 120.64 116.47 1vlf n GLU 873 Ca -0.10 -3.51 0.00 0.00 0.66 0.00 0.00 57.16 54.21 1vlf n GLU 873 Cb 0.59 -3.22 0.00 0.00 0.27 0.00 0.00 31.44 29.07 1vlf n GLU 873 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1vlf n ILE 874 N 5.21 0.31 0.66 6.31 -5.35 -0.97 -4.96 119.36 120.56 1vlf n ILE 874 Ca 0.43 -0.31 0.08 0.00 -0.27 0.00 0.00 62.75 62.68 1vlf n ILE 874 Cb 0.43 0.86 0.07 0.00 -1.74 0.00 0.00 39.64 39.25 1vlf n ILE 874 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57