#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vcw s ASN 3 N 0.00 6.88 -0.08 3.54 2.47 -1.26 -5.01 114.94 121.48 2vcw s ASN 3 Ca 0.00 1.05 0.04 0.00 0.42 0.00 0.00 52.86 54.37 2vcw s ASN 3 Cb 0.00 -2.34 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 2vcw s ASN 3 CO 0.00 0.07 -0.21 -0.31 -3.72 0.00 0.00 177.10 172.93 2vcw s TYR 4 N 0.07 2.22 -0.21 0.43 2.02 -1.26 -3.15 117.35 117.47 2vcw s TYR 4 Ca 0.30 -0.86 -0.00 0.00 -0.37 0.00 0.00 57.07 56.14 2vcw s TYR 4 Cb -0.17 -1.50 0.06 0.00 -0.40 0.00 0.00 41.96 39.94 2vcw s TYR 4 CO 0.15 -0.35 -0.03 0.21 -1.57 0.00 0.00 175.55 173.96 2vcw s LYS 5 N 0.35 1.32 -0.13 -0.62 2.20 -0.58 -0.72 119.74 121.56 2vcw s LYS 5 Ca -0.15 -0.76 -0.18 0.00 -0.36 0.00 0.00 55.97 54.52 2vcw s LYS 5 Cb -0.17 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 2vcw s LYS 5 CO 0.07 -0.59 0.45 -1.17 -0.36 0.00 0.00 175.35 173.75 2vcw s LEU 6 N 1.56 4.27 -0.11 5.43 2.96 -0.16 -0.90 118.68 131.73 2vcw s LEU 6 Ca -0.04 0.76 0.04 0.00 -0.22 0.00 0.00 54.13 54.67 2vcw s LEU 6 Cb -0.18 -2.65 0.00 0.00 0.50 0.00 0.00 46.19 43.87 2vcw s LEU 6 CO -0.07 0.01 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.85 2vcw s THR 7 N 0.63 2.06 0.28 3.68 2.01 -0.43 -0.39 115.64 123.48 2vcw s THR 7 Ca 0.24 -1.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.05 2vcw s THR 7 Cb -0.15 -1.79 0.07 0.00 0.01 0.00 0.00 72.50 70.64 2vcw s THR 7 CO 0.09 0.56 0.93 -0.47 -0.69 0.00 0.00 174.62 175.04 2vcw s TYR 8 N 0.48 0.12 1.05 4.92 5.04 -0.74 -2.15 117.35 126.07 2vcw s TYR 8 Ca -0.15 -0.66 -0.15 0.00 -2.44 0.00 0.00 57.07 53.66 2vcw s TYR 8 Cb -0.17 0.78 0.21 0.00 0.35 0.00 0.00 41.96 43.13 2vcw s TYR 8 CO 0.06 -1.24 1.14 -0.06 -1.34 0.00 0.00 175.55 174.10 2vcw s PHE 9 N -2.09 1.56 -1.31 4.97 0.08 -1.26 -0.87 117.98 119.07 2vcw s PHE 9 Ca 0.20 0.69 -0.15 0.00 0.12 0.00 0.00 56.93 57.80 2vcw s PHE 9 Cb -0.04 -3.46 0.10 0.00 -0.57 0.00 0.00 43.02 39.05 2vcw s PHE 9 CO 0.08 -3.11 1.80 -1.71 -0.10 0.00 0.00 175.22 172.19 2vcw n ASN 10 N -4.25 4.80 -3.67 1.36 5.15 -1.24 -4.56 115.26 112.84 2vcw n ASN 10 Ca 0.09 -2.95 -0.06 0.00 -0.60 0.00 0.00 54.58 51.06 2vcw n ASN 10 Cb 0.59 -1.64 -0.02 0.00 -0.53 0.00 0.00 39.78 38.18 2vcw n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vcw s MET 11 N 2.69 1.23 0.00 1.20 0.23 -1.26 -4.95 119.30 118.44 2vcw s MET 11 Ca 0.47 -0.61 -0.08 0.00 -1.03 0.00 0.00 55.69 54.44 2vcw s MET 11 Cb 0.05 0.46 -0.04 0.00 -1.53 0.00 0.00 34.83 33.77 2vcw s MET 11 CO 0.01 -0.56 0.76 0.00 -2.03 0.00 0.00 175.02 173.21 2vcw h ARG 12 N 2.00 -0.28 0.00 3.16 3.08 -1.19 -3.45 114.38 117.70 2vcw h ARG 12 Ca -0.24 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2vcw h ARG 12 Cb 1.25 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2vcw h ARG 12 CO 0.28 -0.19 0.00 0.41 -1.07 0.00 0.00 179.97 179.40 2vcw n GLY 13 N -0.10 1.95 0.05 0.04 0.00 -1.26 -1.73 105.19 104.15 2vcw n GLY 13 Ca -0.04 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 45.98 2vcw n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vcw n ARG 14 N 14.00 0.13 0.16 1.61 1.74 -1.26 -3.33 116.66 129.71 2vcw n ARG 14 Ca 0.00 0.10 0.07 0.00 -0.77 0.00 0.00 57.85 57.25 2vcw n ARG 14 Cb 0.00 -1.64 0.07 0.00 -1.02 0.00 0.00 32.46 29.87 2vcw n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vcw h ALA 15 N 2.77 0.78 -0.97 7.54 0.00 -1.78 -3.39 119.26 124.21 2vcw h ALA 15 Ca 0.00 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.76 2vcw h ALA 15 Cb 0.62 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 2vcw h ALA 15 CO 0.00 0.32 0.60 1.49 0.00 0.00 0.00 179.25 181.66 2vcw h GLU 16 N 0.00 0.97 -0.92 0.00 4.57 -1.33 -0.97 114.58 116.90 2vcw h GLU 16 Ca -0.02 -0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.16 2vcw h GLU 16 Cb 1.20 -0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 29.51 2vcw h GLU 16 CO 0.03 0.64 0.60 0.97 -1.18 0.00 0.00 179.01 180.07 2vcw h ILE 17 N 1.00 1.11 -0.33 2.32 6.09 -1.82 0.18 117.51 126.06 2vcw h ILE 17 Ca 0.46 -0.38 -0.05 0.00 -1.37 0.00 0.00 64.86 63.53 2vcw h ILE 17 Cb 0.38 -0.09 -0.01 0.00 0.47 0.00 0.00 36.82 37.57 2vcw h ILE 17 CO -0.24 0.20 0.02 0.40 -3.07 0.00 0.00 178.15 175.46 2vcw h ILE 18 N 1.10 1.25 -0.91 2.19 2.04 -1.47 -1.93 117.51 119.78 2vcw h ILE 18 Ca 0.38 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2vcw h ILE 18 Cb 0.11 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 2vcw h ILE 18 CO -0.13 0.30 0.53 0.03 0.00 0.00 0.00 178.15 178.88 2vcw h ARG 19 N 0.38 1.25 -0.57 2.37 3.08 -0.66 -0.30 114.38 119.94 2vcw h ARG 19 Ca 0.10 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 2vcw h ARG 19 Cb 0.41 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2vcw h ARG 19 CO 0.01 0.89 -0.00 1.88 -1.07 0.00 0.00 179.97 181.68 2vcw h TYR 20 N 1.27 1.09 -0.31 3.04 -1.99 -0.86 -1.93 116.97 117.27 2vcw h TYR 20 Ca 0.33 -0.19 -0.02 0.00 2.00 0.00 0.00 58.73 60.84 2vcw h TYR 20 Cb -0.02 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.41 2vcw h TYR 20 CO 0.01 0.98 0.11 0.82 -0.00 0.00 0.00 178.16 180.08 2vcw h ILE 21 N 0.89 1.19 -0.84 -2.88 2.04 -0.82 0.61 117.51 117.70 2vcw h ILE 21 Ca 0.16 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2vcw h ILE 21 Cb 0.55 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2vcw h ILE 21 CO 0.03 0.21 0.53 -0.26 0.00 0.00 0.00 178.15 178.66 2vcw h PHE 22 N 0.35 1.08 0.37 1.37 0.04 -1.02 -1.08 116.94 118.05 2vcw h PHE 22 Ca 0.10 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 2vcw h PHE 22 Cb 0.22 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.01 2vcw h PHE 22 CO 0.00 0.70 -0.18 0.00 -0.60 0.00 0.00 178.31 178.24 2vcw h ALA 23 N 1.29 -0.49 -0.82 2.45 0.00 -1.12 -0.65 119.26 119.91 2vcw h ALA 23 Ca 0.30 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2vcw h ALA 23 Cb -0.08 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2vcw h ALA 23 CO -0.06 -0.77 0.54 -0.92 0.00 0.00 0.00 179.25 178.04 2vcw h TYR 24 N -0.51 1.04 -0.00 0.00 3.20 -0.69 -2.27 116.97 117.73 2vcw h TYR 24 Ca -0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2vcw h TYR 24 Cb 0.39 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.31 2vcw h TYR 24 CO -0.05 0.66 -0.03 1.28 -1.64 0.00 0.00 178.16 178.38 2vcw n LEU 25 N -4.51 0.46 -3.60 2.82 4.77 -0.42 -4.93 117.00 111.58 2vcw n LEU 25 Ca 0.08 -0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.76 2vcw n LEU 25 Cb 0.02 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2vcw n LEU 25 CO 0.36 0.08 0.07 -0.67 -1.33 0.00 0.00 177.39 175.91 2vcw n ASP 26 N -0.74 -2.80 -4.55 -1.43 2.03 -0.52 -5.00 116.55 103.54 2vcw n ASP 26 Ca 0.20 -0.69 -0.35 0.00 0.52 0.00 0.00 54.79 54.46 2vcw n ASP 26 Cb 0.22 -4.61 -0.11 0.00 -0.72 0.00 0.00 41.12 35.89 2vcw n ASP 26 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2vcw s ILE 27 N -3.45 4.52 0.37 5.18 1.01 -0.37 -5.05 121.20 123.41 2vcw s ILE 27 Ca 0.18 -0.12 -0.25 0.00 0.00 0.00 0.00 60.65 60.46 2vcw s ILE 27 Cb -0.08 -3.06 -0.09 0.00 0.01 0.00 0.00 42.46 39.23 2vcw s ILE 27 CO 0.77 0.41 1.00 -1.10 0.00 0.00 0.00 174.94 176.03 2vcw s GLN 28 N 0.85 4.35 0.14 2.79 -1.52 -1.26 -4.63 119.66 120.38 2vcw s GLN 28 Ca 0.03 1.42 -0.22 0.00 -1.95 0.00 0.00 55.36 54.64 2vcw s GLN 28 Cb -0.14 -2.64 0.06 0.00 -0.22 0.00 0.00 33.01 30.08 2vcw s GLN 28 CO 0.02 0.04 0.57 1.52 -0.25 0.00 0.00 175.29 177.20 2vcw s TYR 29 N -1.66 -0.49 -0.24 0.91 1.13 -1.26 -4.58 117.35 111.16 2vcw s TYR 29 Ca 0.55 0.32 -0.23 0.00 -1.41 0.00 0.00 57.07 56.30 2vcw s TYR 29 Cb -0.20 0.49 -0.01 0.00 -1.10 0.00 0.00 41.96 41.14 2vcw s TYR 29 CO 0.26 -0.80 0.75 -2.00 -2.51 0.00 0.00 175.55 171.24 2vcw s GLU 30 N -3.53 4.17 -1.15 -3.49 2.12 0.10 -4.99 118.70 111.92 2vcw s GLU 30 Ca 0.00 0.80 -0.12 0.00 0.36 0.00 0.00 54.97 56.01 2vcw s GLU 30 Cb -0.01 -3.64 0.21 0.00 0.26 0.00 0.00 34.13 30.96 2vcw s GLU 30 CO -0.11 -0.45 1.29 0.34 -0.54 0.00 0.00 175.26 175.79 2vcw s ASP 31 N 1.36 7.15 -0.32 -1.70 2.15 -1.26 -0.98 116.67 123.06 2vcw s ASP 31 Ca 0.32 -3.19 -0.27 0.00 0.43 0.00 0.00 52.55 49.83 2vcw s ASP 31 Cb -0.15 -2.32 0.01 0.00 -0.30 0.00 0.00 42.92 40.15 2vcw s ASP 31 CO 0.08 -0.58 1.00 -2.28 -0.17 0.00 0.00 175.17 173.22 2vcw s HIS 32 N 0.49 3.16 -0.17 -5.34 5.65 0.48 -5.01 115.29 114.55 2vcw s HIS 32 Ca 0.37 1.08 -0.02 0.00 0.25 0.00 0.00 55.06 56.74 2vcw s HIS 32 Cb -0.06 -3.57 -0.01 0.00 -1.18 0.00 0.00 32.58 27.76 2vcw s HIS 32 CO -0.04 -0.72 -0.09 1.03 -0.65 0.00 0.00 174.74 174.28 2vcw s ARG 33 N 3.47 3.39 0.15 2.88 0.52 -1.26 -1.79 118.95 126.31 2vcw s ARG 33 Ca 0.42 -0.65 0.05 0.00 -0.52 0.00 0.00 55.73 55.03 2vcw s ARG 33 Cb -0.13 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 2vcw s ARG 33 CO 0.15 0.02 0.09 0.96 0.02 0.00 0.00 175.30 176.54 2vcw s ILE 34 N 0.87 4.29 0.41 1.52 -4.36 -0.05 -4.83 121.20 119.06 2vcw s ILE 34 Ca -0.02 -1.12 -0.18 0.00 -0.26 0.00 0.00 60.65 59.06 2vcw s ILE 34 Cb -0.15 -3.17 -0.10 0.00 1.25 0.00 0.00 42.46 40.30 2vcw s ILE 34 CO 0.01 -0.07 0.88 -1.61 0.24 0.00 0.00 174.94 174.39 2vcw s GLU 35 N -2.95 4.10 0.27 0.37 0.41 -1.26 -3.68 118.70 115.96 2vcw s GLU 35 Ca 0.30 0.93 -0.04 0.00 -0.41 0.00 0.00 54.97 55.75 2vcw s GLU 35 Cb -0.10 -2.26 0.35 0.00 -1.78 0.00 0.00 34.13 30.34 2vcw s GLU 35 CO 0.22 -0.01 1.94 0.37 -0.49 0.00 0.00 175.26 177.29 2vcw h GLN 36 N 1.83 1.22 -0.65 1.61 -0.00 -2.00 -2.08 115.11 115.04 2vcw h GLN 36 Ca -0.48 -0.07 0.18 0.00 -0.00 0.00 0.00 58.65 58.28 2vcw h GLN 36 Cb 1.18 -0.27 -0.03 0.00 0.00 0.00 0.00 27.48 28.36 2vcw h GLN 36 CO 0.62 0.81 0.46 0.00 0.00 0.00 0.00 178.83 180.72 2vcw h ALA 37 N 1.42 2.56 -0.01 3.38 0.00 -2.06 -0.30 119.26 124.24 2vcw h ALA 37 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2vcw h ALA 37 Cb -0.13 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2vcw h ALA 37 CO -0.08 -0.74 -0.21 -0.25 0.00 0.00 0.00 179.25 177.97 2vcw n ASP 38 N -4.36 1.54 0.34 0.00 8.00 -0.79 -4.50 116.55 116.78 2vcw n ASP 38 Ca 0.12 -1.28 -0.16 0.00 0.71 0.00 0.00 54.79 54.19 2vcw n ASP 38 Cb 0.69 0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 41.87 2vcw n ASP 38 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 2vcw h TRP 39 N 2.09 -0.82 -1.15 1.24 -0.00 -0.97 -3.06 115.95 113.28 2vcw h TRP 39 Ca 0.00 -0.02 0.35 0.00 -0.00 0.00 0.00 58.89 59.22 2vcw h TRP 39 Cb 0.60 0.27 -0.12 0.00 -0.00 0.00 0.00 29.16 29.91 2vcw h TRP 39 CO 0.00 -0.47 0.72 -1.35 -0.00 0.00 0.00 178.44 177.34 2vcw h PRO 40 N -1.07 0.23 -0.09 2.65 0.11 -1.79 0.19 132.00 132.23 2vcw h PRO 40 Ca -0.09 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 2vcw h PRO 40 Cb 0.71 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.77 2vcw h PRO 40 CO 0.15 0.15 -0.04 1.49 -0.21 0.00 0.00 178.00 179.54 2vcw h GLU 41 N 0.24 0.18 -0.50 1.05 4.22 -1.84 -2.72 114.58 115.21 2vcw h GLU 41 Ca 0.73 -0.08 -0.13 0.00 0.08 0.00 0.00 59.36 59.96 2vcw h GLU 41 Cb 2.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.25 2vcw h GLU 41 CO -0.43 0.54 -0.19 0.82 -2.18 0.00 0.00 179.01 177.57 2vcw h ILE 42 N -0.18 1.27 -0.92 2.32 1.08 -1.00 -3.19 117.51 116.88 2vcw h ILE 42 Ca 0.02 -1.36 0.12 0.00 -0.39 0.00 0.00 64.86 63.25 2vcw h ILE 42 Cb 0.48 1.08 -0.08 0.00 -3.07 0.00 0.00 36.82 35.23 2vcw h ILE 42 CO 0.01 0.47 0.54 0.50 -0.69 0.00 0.00 178.15 178.99 2vcw h LYS 43 N 0.88 0.83 0.00 2.37 3.64 -0.69 -1.82 116.57 121.77 2vcw h LYS 43 Ca 0.12 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2vcw h LYS 43 Cb 0.77 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2vcw h LYS 43 CO 0.06 0.55 -0.01 0.66 -2.27 0.00 0.00 179.45 178.44 2vcw h SER 44 N 0.85 0.00 0.03 4.20 4.64 -1.47 -2.66 113.55 119.14 2vcw h SER 44 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2vcw h SER 44 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2vcw h SER 44 CO -0.28 0.01 -0.47 0.35 -0.87 0.00 0.00 176.83 175.57 2vcw n THR 45 N -3.15 0.00 -3.15 2.95 -2.24 -0.69 -4.94 114.28 103.06 2vcw n THR 45 Ca -0.02 -0.23 -0.39 0.00 -2.27 0.00 0.00 64.05 61.14 2vcw n THR 45 Cb 0.15 1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 2vcw n THR 45 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2vcw s LEU 46 N -2.51 4.38 0.32 3.22 1.43 -1.00 -4.98 118.68 119.55 2vcw s LEU 46 Ca 0.19 1.17 0.10 0.00 -1.03 0.00 0.00 54.13 54.56 2vcw s LEU 46 Cb 0.18 -2.98 0.95 0.00 0.03 0.00 0.00 46.19 44.38 2vcw s LEU 46 CO 0.58 0.03 1.66 -0.65 0.23 0.00 0.00 176.35 178.20 2vcw h PRO 47 N 6.02 0.28 0.00 1.29 0.11 -1.92 -3.03 132.00 134.76 2vcw h PRO 47 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2vcw h PRO 47 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2vcw h PRO 47 CO 0.72 0.19 0.00 1.19 -0.21 0.00 0.00 178.00 179.88 2vcw n PHE 48 N -5.11 0.00 -2.29 0.65 3.01 -1.26 -5.05 117.46 107.42 2vcw n PHE 48 Ca 0.28 -0.23 -0.19 0.00 1.01 0.00 0.00 57.45 58.31 2vcw n PHE 48 Cb 0.87 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 40.30 2vcw n PHE 48 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2vcw n GLY 49 N -0.23 -0.16 3.21 1.37 0.00 -1.15 -5.00 105.19 103.23 2vcw n GLY 49 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2vcw n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vcw s LYS 50 N -4.84 0.94 0.20 1.61 -0.14 -1.26 -4.95 119.74 111.29 2vcw s LYS 50 Ca 0.00 -1.14 0.09 0.00 -1.36 0.00 0.00 55.97 53.56 2vcw s LYS 50 Cb 0.00 -0.85 -0.04 0.00 -1.68 0.00 0.00 37.83 35.26 2vcw s LYS 50 CO 0.00 0.17 -0.17 0.96 -0.76 0.00 0.00 175.35 175.54 2vcw s ILE 51 N -1.88 1.92 0.65 2.17 -4.36 -1.26 -4.58 121.20 113.86 2vcw s ILE 51 Ca 0.05 -2.10 -0.15 0.00 -0.26 0.00 0.00 60.65 58.19 2vcw s ILE 51 Cb -0.06 -2.00 -0.00 0.00 1.25 0.00 0.00 42.46 41.65 2vcw s ILE 51 CO 0.02 -0.42 1.10 -2.16 0.24 0.00 0.00 174.94 173.73 2vcw s PRO 52 N -3.19 2.88 0.11 0.37 0.04 -1.26 -4.97 135.00 128.97 2vcw s PRO 52 Ca 0.20 1.34 0.07 0.00 0.04 0.00 0.00 61.00 62.65 2vcw s PRO 52 Cb -0.04 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2vcw s PRO 52 CO 0.08 -1.18 -0.17 0.96 0.04 0.00 0.00 177.00 176.73 2vcw s ILE 53 N -2.40 1.49 -0.18 0.56 -4.36 -0.92 -3.74 121.20 111.66 2vcw s ILE 53 Ca 0.66 -1.56 -0.00 0.00 -0.26 0.00 0.00 60.65 59.49 2vcw s ILE 53 Cb -0.19 -1.45 0.04 0.00 1.25 0.00 0.00 42.46 42.10 2vcw s ILE 53 CO 0.42 -0.20 -0.07 -0.22 0.24 0.00 0.00 174.94 175.10 2vcw s LEU 54 N -2.06 1.85 -0.20 0.37 2.96 -0.05 -1.32 118.68 120.24 2vcw s LEU 54 Ca 0.06 -0.74 -0.20 0.00 -0.22 0.00 0.00 54.13 53.03 2vcw s LEU 54 Cb -0.08 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 2vcw s LEU 54 CO 0.04 -0.17 0.58 -1.61 -1.32 0.00 0.00 176.35 173.87 2vcw s GLU 55 N 1.55 4.20 -0.13 1.98 2.02 -0.07 0.11 118.70 128.35 2vcw s GLU 55 Ca 0.00 0.53 0.01 0.00 0.02 0.00 0.00 54.97 55.53 2vcw s GLU 55 Cb -0.16 -3.57 0.02 0.00 0.10 0.00 0.00 34.13 30.52 2vcw s GLU 55 CO -0.08 -0.20 -0.14 0.08 0.02 0.00 0.00 175.26 174.94 2vcw s VAL 56 N 1.79 1.46 0.00 2.63 1.01 -0.56 -1.53 120.40 125.21 2vcw s VAL 56 Ca 0.27 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2vcw s VAL 56 Cb -0.16 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.85 2vcw s VAL 56 CO 0.10 0.44 0.00 0.47 0.00 0.00 0.00 175.10 176.11 2vcw n ASP 57 N 4.61 0.00 -1.07 3.32 8.00 -1.19 -1.30 116.55 128.92 2vcw n ASP 57 Ca -0.17 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.41 2vcw n ASP 57 Cb 0.50 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.87 2vcw n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vcw n GLY 58 N 0.00 3.37 3.57 0.44 0.00 -1.26 -4.98 105.19 106.32 2vcw n GLY 58 Ca 0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 2vcw n GLY 58 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2vcw s LEU 59 N -2.18 2.93 -0.08 0.99 0.05 -0.42 -5.12 118.68 114.84 2vcw s LEU 59 Ca 0.41 -0.74 -0.01 0.00 0.05 0.00 0.00 54.13 53.83 2vcw s LEU 59 Cb 0.29 -1.51 -0.03 0.00 -2.05 0.00 0.00 46.19 42.89 2vcw s LEU 59 CO 0.14 0.05 -0.02 -0.89 -0.55 0.00 0.00 176.35 175.08 2vcw s THR 60 N -2.16 4.15 0.12 5.48 2.01 -1.26 -1.49 115.64 122.49 2vcw s THR 60 Ca 0.29 -0.31 0.09 0.00 0.31 0.00 0.00 61.69 62.07 2vcw s THR 60 Cb -0.07 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 2vcw s THR 60 CO 0.17 0.60 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.74 2vcw s LEU 61 N -0.82 2.63 0.24 4.42 1.43 0.12 -4.95 118.68 121.74 2vcw s LEU 61 Ca 0.13 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2vcw s LEU 61 Cb -0.11 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2vcw s LEU 61 CO 0.02 0.18 0.14 -1.38 0.23 0.00 0.00 176.35 175.54 2vcw s HIS 62 N -1.13 1.35 -0.03 0.29 -3.43 -1.26 -0.87 115.29 110.21 2vcw s HIS 62 Ca 0.17 -1.37 -0.02 0.00 -0.80 0.00 0.00 55.06 53.04 2vcw s HIS 62 Cb -0.10 -0.68 0.01 0.00 -1.43 0.00 0.00 32.58 30.37 2vcw s HIS 62 CO 0.09 -0.58 0.04 1.04 -2.00 0.00 0.00 174.74 173.33 2vcw n GLN 63 N -0.38 -1.55 -0.30 -0.38 1.13 -1.25 -4.39 117.38 110.26 2vcw n GLN 63 Ca 0.02 1.49 0.09 0.00 -1.94 0.00 0.00 57.00 56.66 2vcw n GLN 63 Cb 0.66 -2.09 0.24 0.00 0.11 0.00 0.00 30.24 29.16 2vcw n GLN 63 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2vcw h SER 64 N 1.32 0.51 0.84 1.08 4.64 -1.87 -1.17 113.55 118.90 2vcw h SER 64 Ca -0.10 0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2vcw h SER 64 Cb 0.23 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2vcw h SER 64 CO 0.00 0.18 -0.82 -0.07 -0.87 0.00 0.00 176.83 175.25 2vcw h LEU 65 N 0.59 0.00 -0.49 5.97 3.38 -1.90 -0.30 115.31 122.55 2vcw h LEU 65 Ca 0.49 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.41 2vcw h LEU 65 Cb 0.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2vcw h LEU 65 CO -0.39 0.82 0.11 0.00 0.09 0.00 0.00 178.44 179.07 2vcw h ALA 66 N 1.18 0.65 -0.31 1.53 0.00 -1.58 -0.55 119.26 120.18 2vcw h ALA 66 Ca -0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2vcw h ALA 66 Cb 1.47 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2vcw h ALA 66 CO 0.11 0.35 0.05 0.82 0.00 0.00 0.00 179.25 180.58 2vcw h ILE 67 N 0.68 1.23 -0.74 0.00 2.04 -1.15 -1.37 117.51 118.20 2vcw h ILE 67 Ca 0.15 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.22 2vcw h ILE 67 Cb 0.35 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2vcw h ILE 67 CO 0.00 0.27 0.48 0.00 0.00 0.00 0.00 178.15 178.90 2vcw h ALA 68 N 0.88 0.96 -0.82 1.87 0.00 -0.94 -0.19 119.26 121.02 2vcw h ALA 68 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2vcw h ALA 68 Cb 0.35 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2vcw h ALA 68 CO 0.01 0.32 0.41 0.00 0.00 0.00 0.00 179.25 179.98 2vcw h ARG 69 N 0.97 1.17 0.04 0.00 3.08 -0.94 -1.63 114.38 117.08 2vcw h ARG 69 Ca 0.28 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2vcw h ARG 69 Cb -0.06 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.78 2vcw h ARG 69 CO -0.08 0.89 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.77 2vcw h TYR 70 N 1.16 -0.05 0.00 3.04 3.20 -0.60 -2.40 116.97 121.31 2vcw h TYR 70 Ca 0.28 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 2vcw h TYR 70 Cb 0.09 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2vcw h TYR 70 CO 0.01 0.14 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.33 2vcw h LEU 71 N -0.25 0.00 -0.17 2.82 3.38 -0.93 -2.93 115.31 117.23 2vcw h LEU 71 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2vcw h LEU 71 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2vcw h LEU 71 CO 0.01 0.28 -0.44 0.35 0.09 0.00 0.00 178.44 178.72 2vcw n THR 72 N -4.20 0.00 -1.80 0.22 -2.24 -0.62 -4.86 114.28 100.77 2vcw n THR 72 Ca -0.02 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 2vcw n THR 72 Cb 0.33 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 2vcw n THR 72 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2vcw s LYS 73 N -2.83 4.16 -1.58 -0.78 2.20 -0.91 -1.81 119.74 118.18 2vcw s LYS 73 Ca 0.15 2.51 -0.03 0.00 -0.36 0.00 0.00 55.97 58.25 2vcw s LYS 73 Cb 0.18 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 2vcw s LYS 73 CO 0.65 -0.72 0.34 0.09 -0.36 0.00 0.00 175.35 175.35 2vcw n ASN 74 N 4.34 -5.84 -4.60 1.43 3.02 -1.26 -5.01 115.26 107.35 2vcw n ASN 74 Ca 0.16 -0.17 -0.28 0.00 -0.03 0.00 0.00 54.58 54.26 2vcw n ASN 74 Cb 0.37 -4.75 -0.10 0.00 -0.61 0.00 0.00 39.78 34.69 2vcw n ASN 74 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2vcw s THR 75 N -3.09 1.73 -1.40 3.41 -4.23 -0.75 -5.02 115.64 106.29 2vcw s THR 75 Ca 0.17 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.86 2vcw s THR 75 Cb -0.07 -2.84 0.30 0.00 1.34 0.00 0.00 72.50 71.22 2vcw s THR 75 CO 0.21 0.00 1.54 -0.90 -0.54 0.00 0.00 174.62 174.93 2vcw n ASP 76 N -0.97 0.00 0.02 3.99 3.85 -1.26 -2.45 116.55 119.73 2vcw n ASP 76 Ca -0.06 0.06 0.13 0.00 -0.71 0.00 0.00 54.79 54.21 2vcw n ASP 76 Cb 0.67 -0.30 0.41 0.00 -1.35 0.00 0.00 41.12 40.55 2vcw n ASP 76 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2vcw n LEU 77 N -1.30 0.35 -4.90 -2.12 4.77 -1.26 -4.74 117.00 107.80 2vcw n LEU 77 Ca 0.08 0.30 -0.28 0.00 -0.03 0.00 0.00 56.01 56.09 2vcw n LEU 77 Cb 0.15 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2vcw n LEU 77 CO 0.14 0.02 0.41 0.00 -1.33 0.00 0.00 177.39 176.63 2vcw s ALA 78 N -3.03 3.43 0.85 -1.18 0.00 -1.02 -1.68 121.76 119.13 2vcw s ALA 78 Ca 0.12 -0.50 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 2vcw s ALA 78 Cb 0.17 -2.55 0.06 0.00 0.00 0.00 0.00 23.12 20.80 2vcw s ALA 78 CO 0.62 -0.25 0.86 0.41 0.00 0.00 0.00 175.76 177.40 2vcw n GLY 79 N -2.03 -0.89 0.04 0.00 0.00 -1.26 -4.93 105.19 96.12 2vcw n GLY 79 Ca 0.00 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.57 2vcw n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vcw n ASN 80 N -2.41 0.36 -4.15 1.61 3.02 -1.26 -4.61 115.26 107.82 2vcw n ASN 80 Ca 0.11 0.40 -0.10 0.00 -0.03 0.00 0.00 54.58 54.95 2vcw n ASN 80 Cb 0.51 -0.43 -0.10 0.00 -0.61 0.00 0.00 39.78 39.15 2vcw n ASN 80 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2vcw s THR 81 N -3.04 0.08 0.22 3.41 -4.23 -1.26 -5.00 115.64 105.81 2vcw s THR 81 Ca 0.12 -1.90 -0.07 0.00 -1.18 0.00 0.00 61.69 58.66 2vcw s THR 81 Cb 0.16 -2.13 0.18 0.00 1.34 0.00 0.00 72.50 72.04 2vcw s THR 81 CO 0.59 -0.35 1.76 -0.33 -0.54 0.00 0.00 174.62 175.75 2vcw h GLU 82 N 2.79 0.52 -0.48 3.99 5.08 -2.00 -0.07 114.58 124.42 2vcw h GLU 82 Ca -0.35 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 57.85 2vcw h GLU 82 Cb 1.21 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2vcw h GLU 82 CO 0.57 0.34 -0.20 1.98 -1.00 0.00 0.00 179.01 180.70 2vcw h MET 83 N 0.53 0.96 -0.74 2.33 4.05 -1.98 -2.27 114.93 117.82 2vcw h MET 83 Ca 0.35 -0.40 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 2vcw h MET 83 Cb 0.41 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.14 2vcw h MET 83 CO -0.30 1.06 0.33 0.93 0.23 0.00 0.00 176.91 179.16 2vcw h GLU 84 N 0.83 1.07 -0.64 0.39 5.08 -1.76 -1.60 114.58 117.95 2vcw h GLU 84 Ca 0.11 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2vcw h GLU 84 Cb 0.76 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2vcw h GLU 84 CO 0.06 0.84 0.36 1.96 -1.00 0.00 0.00 179.01 181.23 2vcw h GLN 85 N 1.05 0.88 -0.40 2.33 4.20 -0.75 0.02 115.11 122.44 2vcw h GLN 85 Ca 0.25 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 2vcw h GLN 85 Cb 0.15 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2vcw h GLN 85 CO -0.03 0.64 -0.03 0.00 -0.67 0.00 0.00 178.83 178.74 2vcw h HIS 87 N 0.55 0.71 0.17 0.00 3.86 -0.85 0.98 115.15 120.57 2vcw h HIS 87 Ca 0.11 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2vcw h HIS 87 Cb 0.53 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.81 2vcw h HIS 87 CO 0.04 0.71 -0.08 0.28 0.86 0.00 0.00 177.93 179.74 2vcw h VAL 88 N 0.62 0.85 -0.95 2.45 2.07 -0.76 -0.43 116.25 120.10 2vcw h VAL 88 Ca 0.12 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.61 2vcw h VAL 88 Cb 0.48 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 2vcw h VAL 88 CO 0.02 0.01 0.63 0.44 0.02 0.00 0.00 177.57 178.69 2vcw h ASP 89 N -0.24 1.08 -0.49 0.57 3.32 -0.97 -2.08 116.42 117.62 2vcw h ASP 89 Ca -0.02 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 2vcw h ASP 89 Cb 0.19 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2vcw h ASP 89 CO 0.04 0.77 -0.06 0.00 -1.72 0.00 0.00 179.24 178.27 2vcw h ALA 90 N 1.36 0.66 -0.46 3.45 0.00 -0.55 -1.28 119.26 122.44 2vcw h ALA 90 Ca 0.35 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2vcw h ALA 90 Cb -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2vcw h ALA 90 CO -0.08 0.52 0.05 0.82 0.00 0.00 0.00 179.25 180.56 2vcw h ILE 91 N 0.75 1.25 -0.38 0.00 1.08 -0.94 -0.93 117.51 118.34 2vcw h ILE 91 Ca 0.13 -0.95 0.05 0.00 -0.39 0.00 0.00 64.86 63.69 2vcw h ILE 91 Cb 0.59 0.98 -0.04 0.00 -3.07 0.00 0.00 36.82 35.28 2vcw h ILE 91 CO 0.04 0.33 0.12 0.58 -0.69 0.00 0.00 178.15 178.53 2vcw h VAL 92 N 0.63 0.87 -0.48 1.67 2.07 -1.30 -1.92 116.25 117.78 2vcw h VAL 92 Ca 0.14 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 2vcw h VAL 92 Cb 0.42 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2vcw h VAL 92 CO 0.01 0.05 0.07 0.44 0.02 0.00 0.00 177.57 178.16 2vcw h ASP 93 N 0.26 0.71 -0.34 0.57 3.32 -1.04 0.13 116.42 120.04 2vcw h ASP 93 Ca 0.18 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 2vcw h ASP 93 Cb 0.17 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2vcw h ASP 93 CO -0.19 0.74 0.15 0.74 -1.72 0.00 0.00 179.24 178.95 2vcw h THR 94 N 0.72 1.18 -0.34 0.35 2.02 -0.78 1.00 112.91 117.05 2vcw h THR 94 Ca 0.15 -0.52 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 2vcw h THR 94 Cb 0.34 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2vcw h THR 94 CO 0.01 0.19 0.04 -0.07 0.37 0.00 0.00 175.52 176.05 2vcw h LEU 95 N 0.41 0.56 -0.67 2.58 3.38 -1.10 -2.81 115.31 117.66 2vcw h LEU 95 Ca 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2vcw h LEU 95 Cb 0.15 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2vcw h LEU 95 CO -0.01 0.69 0.28 -0.78 0.09 0.00 0.00 178.44 178.71 2vcw h ASP 96 N 0.40 0.91 -0.89 -0.43 3.58 -0.56 -0.84 116.42 118.59 2vcw h ASP 96 Ca 0.10 -0.16 0.12 0.00 0.42 0.00 0.00 57.03 57.51 2vcw h ASP 96 Cb 0.38 -0.24 -0.08 0.00 1.72 0.00 0.00 39.33 41.11 2vcw h ASP 96 CO 0.01 0.82 0.51 0.44 -2.88 0.00 0.00 179.24 178.15 2vcw h ASP 97 N 0.94 0.71 -0.02 2.28 3.32 -0.74 0.12 116.42 123.03 2vcw h ASP 97 Ca 0.22 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 2vcw h ASP 97 Cb 0.19 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2vcw h ASP 97 CO -0.02 0.36 -0.19 0.15 -1.72 0.00 0.00 179.24 177.82 2vcw h PHE 98 N 0.79 0.23 -0.07 4.55 3.57 -1.18 -3.23 116.94 121.60 2vcw h PHE 98 Ca 0.45 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.86 2vcw h PHE 98 Cb 0.51 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2vcw h PHE 98 CO -0.05 0.86 0.06 0.52 -2.23 0.00 0.00 178.31 177.47 2vcw h MET 99 N -0.46 0.00 0.00 1.11 2.86 -0.88 -1.62 114.93 115.94 2vcw h MET 99 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2vcw h MET 99 Cb 0.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.56 2vcw h MET 99 CO 0.04 0.00 0.00 0.43 1.06 0.00 0.00 176.91 178.44 2vcw n SER 100 N -4.28 0.77 0.24 1.22 7.64 0.01 -2.91 113.62 116.30 2vcw n SER 100 Ca -0.01 0.63 0.13 0.00 1.01 0.00 0.00 58.87 60.63 2vcw n SER 100 Cb 0.17 -0.82 0.48 0.00 -1.01 0.00 0.00 64.21 63.03 2vcw n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2vcw s PHE 102 N -3.55 3.31 -1.47 0.00 0.08 -1.15 -4.92 117.98 110.29 2vcw s PHE 102 Ca 0.02 1.12 -0.14 0.00 0.12 0.00 0.00 56.93 58.06 2vcw s PHE 102 Cb 0.09 -3.54 0.03 0.00 -0.57 0.00 0.00 43.02 39.03 2vcw s PHE 102 CO 0.61 -1.81 2.29 -0.35 -0.10 0.00 0.00 175.22 175.86 2vcw n PRO 103 N 4.07 2.93 -0.05 0.24 -0.04 -1.26 -4.75 135.00 136.15 2vcw n PRO 103 Ca 0.10 -2.58 0.13 0.00 -0.04 0.00 0.00 63.50 61.11 2vcw n PRO 103 Cb 0.45 -3.24 0.54 0.00 -0.04 0.00 0.00 33.50 31.20 2vcw n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2vcw h TRP 104 N 5.91 0.34 -0.49 0.54 4.06 -1.94 -2.21 115.95 122.16 2vcw h TRP 104 Ca 0.59 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.55 2vcw h TRP 104 Cb 0.61 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 2vcw h TRP 104 CO 1.49 0.16 0.00 0.00 -3.56 0.00 0.00 178.44 176.53 2vcw n ALA 105 N -2.54 2.38 -1.70 1.49 0.00 -1.26 -4.99 120.51 113.90 2vcw n ALA 105 Ca 0.09 -1.10 -0.43 0.00 0.00 0.00 0.00 53.44 51.99 2vcw n ALA 105 Cb 0.39 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 2vcw n ALA 105 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2vcw n GLU 106 N 1.42 2.60 0.10 0.00 4.07 -0.83 -4.91 120.64 123.09 2vcw n GLU 106 Ca 0.20 0.94 -0.15 0.00 -0.06 0.00 0.00 57.16 58.09 2vcw n GLU 106 Cb 0.58 -2.78 -0.13 0.00 -0.06 0.00 0.00 31.44 29.05 2vcw n GLU 106 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2vcw h LYS 107 N 7.22 0.27 -6.48 5.31 1.79 -1.94 -3.44 116.57 119.31 2vcw h LYS 107 Ca -0.45 -0.44 -0.57 0.00 -2.18 0.00 0.00 60.65 57.01 2vcw h LYS 107 Cb 1.22 0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 31.97 2vcw h LYS 107 CO 0.94 1.20 0.91 0.15 -1.08 0.00 0.00 179.45 181.56 2vcw s LYS 108 N -2.72 3.89 0.19 3.15 1.02 -1.26 -4.93 119.74 119.08 2vcw s LYS 108 Ca -0.04 0.90 -0.13 0.00 0.02 0.00 0.00 55.97 56.73 2vcw s LYS 108 Cb 0.07 -3.84 0.12 0.00 -0.52 0.00 0.00 37.83 33.66 2vcw s LYS 108 CO 0.88 -1.15 1.84 0.37 -0.92 0.00 0.00 175.35 176.37 2vcw h GLN 109 N 8.83 0.73 -0.28 1.68 5.75 -1.99 -1.38 115.11 128.44 2vcw h GLN 109 Ca -0.23 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.24 2vcw h GLN 109 Cb 1.07 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.44 2vcw h GLN 109 CO 1.07 0.48 0.17 0.38 -2.65 0.00 0.00 178.83 178.28 2vcw h ASP 110 N 0.75 0.28 -0.47 -0.69 2.03 -1.98 0.01 116.42 116.35 2vcw h ASP 110 Ca 0.23 -0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.50 2vcw h ASP 110 Cb -0.03 -0.06 -0.02 0.00 -0.83 0.00 0.00 39.33 38.39 2vcw h ASP 110 CO -0.08 0.20 0.17 0.58 -1.03 0.00 0.00 179.24 179.09 2vcw h VAL 111 N 0.35 1.21 0.58 4.15 2.07 -1.95 -2.11 116.25 120.55 2vcw h VAL 111 Ca 0.11 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2vcw h VAL 111 Cb -0.01 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2vcw h VAL 111 CO -0.04 0.25 -0.28 0.50 0.02 0.00 0.00 177.57 178.01 2vcw h LYS 112 N 0.61 -0.76 -0.77 1.57 3.64 -1.03 -1.87 116.57 117.96 2vcw h LYS 112 Ca 0.15 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.69 2vcw h LYS 112 Cb 0.22 0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 32.13 2vcw h LYS 112 CO -0.01 -0.48 0.40 0.93 -2.27 0.00 0.00 179.45 178.01 2vcw h GLU 113 N -0.84 0.62 0.46 1.90 5.08 -1.00 -0.61 114.58 120.19 2vcw h GLU 113 Ca -0.08 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2vcw h GLU 113 Cb 0.62 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2vcw h GLU 113 CO 0.13 0.41 -0.32 0.37 -1.00 0.00 0.00 179.01 178.60 2vcw h GLN 114 N 0.64 -0.73 -0.84 2.33 4.15 -1.24 0.37 115.11 119.79 2vcw h GLN 114 Ca 0.39 0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.85 2vcw h GLN 114 Cb 0.45 0.17 -0.04 0.00 0.21 0.00 0.00 27.48 28.26 2vcw h GLN 114 CO -0.29 -0.48 0.47 1.98 -1.93 0.00 0.00 178.83 178.57 2vcw h MET 115 N -0.75 1.16 0.09 1.69 4.05 -0.97 0.35 114.93 120.55 2vcw h MET 115 Ca -0.05 -0.13 0.01 0.00 -0.28 0.00 0.00 59.70 59.26 2vcw h MET 115 Cb 0.63 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.18 2vcw h MET 115 CO 0.02 0.84 -0.17 0.74 0.23 0.00 0.00 176.91 178.57 2vcw h PHE 116 N 1.16 -0.45 -0.78 1.39 -1.00 -1.00 -0.29 116.94 115.96 2vcw h PHE 116 Ca 0.30 0.01 0.07 0.00 2.81 0.00 0.00 57.97 61.15 2vcw h PHE 116 Cb 0.01 0.19 -0.06 0.00 3.61 0.00 0.00 35.95 39.70 2vcw h PHE 116 CO 0.00 -0.26 0.46 -0.91 -1.61 0.00 0.00 178.31 175.99 2vcw h ASN 117 N -0.33 0.69 0.38 2.17 2.35 -0.31 -0.34 115.58 120.19 2vcw h ASN 117 Ca 0.03 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2vcw h ASN 117 Cb 0.35 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2vcw h ASN 117 CO -0.10 0.43 -0.18 -0.33 -1.65 0.00 0.00 177.43 175.60 2vcw h GLU 118 N 0.82 -0.49 -0.63 0.81 5.08 -0.64 0.84 114.58 120.37 2vcw h GLU 118 Ca 0.35 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.80 2vcw h GLU 118 Cb 0.22 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 2vcw h GLU 118 CO -0.19 -0.28 0.35 -0.07 -1.00 0.00 0.00 179.01 177.81 2vcw h LEU 119 N -0.58 0.53 -0.44 1.33 3.38 -0.77 0.29 115.31 119.05 2vcw h LEU 119 Ca -0.05 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2vcw h LEU 119 Cb 0.43 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2vcw h LEU 119 CO 0.09 0.35 -0.40 -0.07 0.09 0.00 0.00 178.44 178.50 2vcw h LEU 120 N 0.66 0.93 0.22 1.67 3.38 -0.99 -0.19 115.31 121.00 2vcw h LEU 120 Ca 0.28 -0.43 -0.33 0.00 0.09 0.00 0.00 57.88 57.50 2vcw h LEU 120 Cb 0.15 -0.26 0.03 0.00 0.09 0.00 0.00 40.66 40.67 2vcw h LEU 120 CO -0.17 1.21 -1.49 0.74 0.09 0.00 0.00 178.44 178.82 2vcw h THR 121 N 0.71 1.20 0.00 0.22 2.02 -0.61 -3.36 112.91 113.09 2vcw h THR 121 Ca 0.06 -2.62 -0.33 0.00 0.77 0.00 0.00 66.41 64.29 2vcw h THR 121 Cb 0.98 2.98 -0.06 0.00 -1.74 0.00 0.00 68.15 70.30 2vcw h THR 121 CO 0.09 0.81 -2.32 -1.22 0.37 0.00 0.00 175.52 173.25 2vcw n TYR 122 N -3.74 0.04 -0.10 3.16 0.53 0.10 -4.70 117.16 112.46 2vcw n TYR 122 Ca -0.19 0.01 -0.19 0.00 -1.02 0.00 0.00 57.90 56.51 2vcw n TYR 122 Cb 1.06 -0.96 -0.08 0.00 -1.03 0.00 0.00 39.34 38.34 2vcw n TYR 122 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 2vcw n ASN 123 N -2.71 1.75 -0.28 7.72 4.13 -0.68 -4.70 115.26 120.48 2vcw n ASN 123 Ca -0.29 0.14 0.08 0.00 1.68 0.00 0.00 54.58 56.19 2vcw n ASN 123 Cb 1.09 -0.50 0.24 0.00 -1.54 0.00 0.00 39.78 39.07 2vcw n ASN 123 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2vcw h ALA 124 N -0.50 1.23 -0.15 5.41 0.00 -1.21 -1.91 119.26 122.14 2vcw h ALA 124 Ca -0.48 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2vcw h ALA 124 Cb 1.51 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2vcw h ALA 124 CO -0.24 -0.23 0.06 -1.35 0.00 0.00 0.00 179.25 177.49 2vcw h PRO 125 N 0.46 0.21 -0.46 0.00 0.11 -1.84 -1.75 132.00 128.73 2vcw h PRO 125 Ca 0.48 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.44 2vcw h PRO 125 Cb 0.79 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 2vcw h PRO 125 CO -0.44 0.18 -0.21 0.45 -0.21 0.00 0.00 178.00 177.77 2vcw h HIS 126 N 0.21 1.05 -0.63 0.65 3.86 -1.63 -0.59 115.15 118.07 2vcw h HIS 126 Ca 0.06 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 2vcw h HIS 126 Cb 0.05 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.24 2vcw h HIS 126 CO 0.00 1.04 0.33 1.25 0.86 0.00 0.00 177.93 181.41 2vcw h LEU 127 N 0.80 0.80 -0.54 2.43 5.85 -1.28 -0.68 115.31 122.68 2vcw h LEU 127 Ca 0.11 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2vcw h LEU 127 Cb 0.76 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2vcw h LEU 127 CO 0.06 0.68 0.29 0.24 -0.34 0.00 0.00 178.44 179.37 2vcw h MET 128 N 0.86 0.76 -0.28 1.25 2.86 -1.11 -0.21 114.93 119.07 2vcw h MET 128 Ca 0.22 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2vcw h MET 128 Cb 0.07 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 2vcw h MET 128 CO -0.03 0.60 0.11 1.96 1.06 0.00 0.00 176.91 180.61 2vcw h GLN 129 N 0.73 0.23 -0.59 1.72 1.08 -0.60 -0.42 115.11 117.27 2vcw h GLN 129 Ca 0.19 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2vcw h GLN 129 Cb 0.07 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 2vcw h GLN 129 CO -0.03 0.15 0.37 -0.44 -0.95 0.00 0.00 178.83 177.94 2vcw h ASP 130 N 0.24 0.69 -0.59 1.46 3.32 -0.81 -1.78 116.42 118.95 2vcw h ASP 130 Ca 0.12 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2vcw h ASP 130 Cb 0.07 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2vcw h ASP 130 CO -0.11 0.52 0.01 -0.07 -1.72 0.00 0.00 179.24 177.88 2vcw h LEU 131 N 0.79 1.03 -0.06 1.55 3.38 -0.84 -0.89 115.31 120.27 2vcw h LEU 131 Ca 0.21 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2vcw h LEU 131 Cb -0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 2vcw h LEU 131 CO -0.04 1.07 0.02 -0.78 0.09 0.00 0.00 178.44 178.80 2vcw h ASP 132 N 0.96 0.09 -0.72 -0.43 -0.00 -0.80 -0.04 116.42 115.47 2vcw h ASP 132 Ca 0.17 -0.19 -0.00 0.00 -0.00 0.00 0.00 57.03 57.02 2vcw h ASP 132 Cb 0.54 -0.02 -0.04 0.00 -0.00 0.00 0.00 39.33 39.81 2vcw h ASP 132 CO 0.03 0.25 0.45 0.74 -0.00 0.00 0.00 179.24 180.70 2vcw h THR 133 N -0.08 1.20 -0.22 2.25 2.02 -1.28 -0.30 112.91 116.50 2vcw h THR 133 Ca 0.02 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 2vcw h THR 133 Cb 0.19 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2vcw h THR 133 CO -0.00 0.21 0.12 0.22 0.37 0.00 0.00 175.52 176.44 2vcw h TYR 134 N 0.99 0.30 -0.32 3.16 3.20 -0.94 -2.80 116.97 120.55 2vcw h TYR 134 Ca 0.26 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 2vcw h TYR 134 Cb -0.05 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 2vcw h TYR 134 CO -0.01 0.27 0.18 1.25 -1.64 0.00 0.00 178.16 178.20 2vcw h LEU 135 N 0.24 0.40 0.00 2.82 5.85 -0.79 -3.47 115.31 120.36 2vcw h LEU 135 Ca 0.08 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2vcw h LEU 135 Cb 0.07 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2vcw h LEU 135 CO -0.01 0.37 0.00 0.61 -0.34 0.00 0.00 178.44 179.07 2vcw n GLY 136 N -0.97 3.11 0.85 3.75 0.00 -0.14 -2.29 105.19 109.51 2vcw n GLY 136 Ca -0.01 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.91 2vcw n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vcw n GLY 137 N 0.00 3.26 3.83 -0.02 0.00 -1.26 -4.96 105.19 106.04 2vcw n GLY 137 Ca 0.00 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 2vcw n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vcw s ARG 138 N -1.81 2.95 0.03 1.61 0.52 -0.97 -5.01 118.95 116.26 2vcw s ARG 138 Ca 0.34 0.84 -0.18 0.00 -0.52 0.00 0.00 55.73 56.21 2vcw s ARG 138 Cb 0.23 -2.00 -0.22 0.00 0.52 0.00 0.00 34.95 33.48 2vcw s ARG 138 CO 0.14 -1.06 1.15 0.93 0.02 0.00 0.00 175.30 176.48 2vcw h GLU 139 N -0.69 0.50 -5.46 3.54 5.08 -1.88 -3.47 114.58 112.21 2vcw h GLU 139 Ca -0.44 -0.50 -0.44 0.00 -1.00 0.00 0.00 59.36 56.97 2vcw h GLU 139 Cb 1.22 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 30.46 2vcw h GLU 139 CO 0.59 1.14 -0.71 -1.58 -1.00 0.00 0.00 179.01 177.44 2vcw s TRP 140 N -3.35 1.72 0.26 4.33 0.52 -1.26 -4.90 118.94 116.26 2vcw s TRP 140 Ca -0.12 -0.65 -0.04 0.00 0.02 0.00 0.00 56.10 55.30 2vcw s TRP 140 Cb 0.05 -0.87 0.34 0.00 -1.15 0.00 0.00 33.47 31.84 2vcw s TRP 140 CO 0.84 0.28 1.90 -0.07 0.02 0.00 0.00 176.95 179.92 2vcw h LEU 141 N 2.50 1.10 -7.94 2.99 3.38 -1.91 -3.41 115.31 112.02 2vcw h LEU 141 Ca -0.38 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.04 2vcw h LEU 141 Cb 1.22 -0.25 -0.34 0.00 0.09 0.00 0.00 40.66 41.38 2vcw h LEU 141 CO 0.64 0.75 -0.82 -0.63 0.09 0.00 0.00 178.44 178.46 2vcw s ILE 142 N -6.08 1.22 0.00 1.22 1.09 -1.26 -4.87 121.20 112.52 2vcw s ILE 142 Ca -0.13 -0.49 0.00 0.00 -1.10 0.00 0.00 60.65 58.93 2vcw s ILE 142 Cb 0.19 -1.13 0.00 0.00 -1.06 0.00 0.00 42.46 40.46 2vcw s ILE 142 CO 0.82 0.38 0.00 0.61 -0.10 0.00 0.00 174.94 176.65 2vcw n GLY 143 N 4.14 0.24 0.03 6.18 0.00 -1.26 -4.19 105.19 110.34 2vcw n GLY 143 Ca -0.20 -0.89 0.10 0.00 0.00 0.00 0.00 46.02 45.03 2vcw n GLY 143 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vcw n ASN 144 N -1.44 1.02 -4.29 1.61 3.02 -1.26 -4.42 115.26 109.50 2vcw n ASN 144 Ca 0.00 -0.96 -0.16 0.00 -0.03 0.00 0.00 54.58 53.44 2vcw n ASN 144 Cb 0.00 0.88 -0.10 0.00 -0.61 0.00 0.00 39.78 39.95 2vcw n ASN 144 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2vcw s SER 145 N -2.96 1.16 0.48 6.41 1.04 -1.26 -4.88 113.70 113.69 2vcw s SER 145 Ca 0.09 -1.33 -0.24 0.00 0.48 0.00 0.00 55.95 54.95 2vcw s SER 145 Cb 0.16 0.16 -0.07 0.00 0.10 0.00 0.00 66.02 66.37 2vcw s SER 145 CO 0.83 -0.69 1.38 0.54 0.98 0.00 0.00 173.24 176.27 2vcw s VAL 146 N -3.74 2.18 0.26 5.02 0.11 -1.26 -4.72 120.40 118.25 2vcw s VAL 146 Ca 0.34 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.56 2vcw s VAL 146 Cb 0.07 -3.08 -0.05 0.00 -1.53 0.00 0.00 36.38 31.79 2vcw s VAL 146 CO 0.11 0.01 0.12 0.42 -3.33 0.00 0.00 175.10 172.44 2vcw s THR 147 N -1.26 0.39 -0.63 5.04 -4.23 -1.26 -4.58 115.64 109.11 2vcw s THR 147 Ca 0.64 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.34 2vcw s THR 147 Cb -0.41 -2.58 0.19 0.00 1.34 0.00 0.00 72.50 71.04 2vcw s THR 147 CO 0.51 0.00 1.58 -2.67 -0.54 0.00 0.00 174.62 173.50 2vcw n TRP 148 N -0.46 0.51 -0.14 3.99 4.27 -0.67 -1.42 117.44 123.52 2vcw n TRP 148 Ca 0.01 0.21 -0.04 0.00 -3.89 0.00 0.00 57.50 53.79 2vcw n TRP 148 Cb 0.66 -0.85 0.15 0.00 -1.36 0.00 0.00 31.31 29.91 2vcw n TRP 148 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2vcw h ALA 149 N 2.27 1.11 -0.68 -1.67 0.00 -1.85 -0.15 119.26 118.29 2vcw h ALA 149 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2vcw h ALA 149 Cb 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2vcw h ALA 149 CO 0.00 0.58 0.26 -0.44 0.00 0.00 0.00 179.25 179.65 2vcw h ASP 150 N 0.81 0.95 -0.17 0.00 3.32 -1.64 -0.61 116.42 119.08 2vcw h ASP 150 Ca 0.17 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.06 2vcw h ASP 150 Cb 0.40 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2vcw h ASP 150 CO 0.01 0.88 0.02 -0.26 -1.72 0.00 0.00 179.24 178.17 2vcw h PHE 151 N 0.97 0.04 -0.78 4.55 -1.00 -1.47 -1.64 116.94 117.62 2vcw h PHE 151 Ca 0.23 0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.97 2vcw h PHE 151 Cb 0.23 0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.77 2vcw h PHE 151 CO 0.02 0.01 0.29 -0.92 -1.61 0.00 0.00 178.31 176.10 2vcw h TYR 152 N 0.09 1.20 -0.32 -0.55 3.20 -0.78 -0.58 116.97 119.23 2vcw h TYR 152 Ca 0.08 -0.10 0.03 0.00 3.14 0.00 0.00 58.73 61.88 2vcw h TYR 152 Cb 0.08 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 2vcw h TYR 152 CO -0.14 0.91 0.13 2.35 -1.64 0.00 0.00 178.16 179.77 2vcw h TRP 153 N 1.14 0.23 -0.39 -3.82 2.91 -0.88 0.06 115.95 115.18 2vcw h TRP 153 Ca 0.26 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.29 2vcw h TRP 153 Cb 0.24 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 28.81 2vcw h TRP 153 CO 0.02 0.11 0.24 1.49 -1.03 0.00 0.00 178.44 179.27 2vcw h GLU 154 N 0.27 0.52 0.16 2.65 4.22 -0.80 0.13 114.58 121.74 2vcw h GLU 154 Ca 0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.53 2vcw h GLU 154 Cb 0.09 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2vcw h GLU 154 CO -0.13 0.38 -0.08 0.82 -2.18 0.00 0.00 179.01 177.83 2vcw h ILE 155 N 0.51 0.89 -0.37 2.32 2.04 -0.93 -1.11 117.51 120.87 2vcw h ILE 155 Ca 0.14 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2vcw h ILE 155 Cb -0.01 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2vcw h ILE 155 CO -0.03 0.05 0.17 0.00 0.00 0.00 0.00 178.15 178.35 2vcw h SER 157 N 0.46 0.72 -0.11 0.00 4.64 -0.94 -1.25 113.55 117.07 2vcw h SER 157 Ca 0.13 -0.13 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2vcw h SER 157 Cb 0.13 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 2vcw h SER 157 CO -0.01 0.72 -0.07 0.74 -0.87 0.00 0.00 176.83 177.33 2vcw h THR 158 N 0.75 0.79 -0.50 2.95 2.02 -1.02 -0.11 112.91 117.79 2vcw h THR 158 Ca 0.17 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.31 2vcw h THR 158 Cb 0.29 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2vcw h THR 158 CO -0.00 0.00 0.17 0.74 0.37 0.00 0.00 175.52 176.80 2vcw h THR 159 N -0.07 1.22 -0.91 3.16 2.02 -1.26 -2.80 112.91 114.28 2vcw h THR 159 Ca 0.07 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.54 2vcw h THR 159 Cb 0.17 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 2vcw h THR 159 CO -0.15 0.27 0.60 -0.07 0.37 0.00 0.00 175.52 176.53 2vcw h LEU 160 N 0.67 1.02 -1.51 2.58 3.38 -0.96 -2.19 115.31 118.29 2vcw h LEU 160 Ca 0.16 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2vcw h LEU 160 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2vcw h LEU 160 CO -0.01 0.72 -0.22 -0.07 0.09 0.00 0.00 178.44 178.95 2vcw h LEU 161 N 1.19 0.00 -0.91 1.67 3.38 -0.88 0.38 115.31 120.15 2vcw h LEU 161 Ca 0.35 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.35 2vcw h LEU 161 Cb -0.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2vcw h LEU 161 CO -0.09 0.22 0.59 0.58 0.09 0.00 0.00 178.44 179.83 2vcw h VAL 162 N 0.00 1.15 0.00 1.22 2.07 -1.13 -2.52 116.25 117.04 2vcw h VAL 162 Ca -0.00 -0.39 -0.21 0.00 0.82 0.00 0.00 66.70 66.92 2vcw h VAL 162 Cb 0.54 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 2vcw h VAL 162 CO 0.03 0.21 -1.64 0.49 0.02 0.00 0.00 177.57 176.67 2vcw n PHE 163 N -4.51 0.78 -3.38 1.57 3.01 -0.79 -4.65 117.46 109.48 2vcw n PHE 163 Ca 0.12 0.26 -0.26 0.00 1.01 0.00 0.00 57.45 58.58 2vcw n PHE 163 Cb 0.09 -1.05 -0.10 0.00 -0.01 0.00 0.00 39.48 38.42 2vcw n PHE 163 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2vcw n LYS 164 N -2.85 0.42 0.11 -1.08 4.81 0.06 -5.00 118.16 114.63 2vcw n LYS 164 Ca -0.14 -3.28 0.19 0.00 -0.87 0.00 0.00 58.31 54.21 2vcw n LYS 164 Cb 0.90 -1.63 0.76 0.00 0.02 0.00 0.00 35.03 35.08 2vcw n LYS 164 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2vcw h PRO 165 N 5.28 0.00 -0.11 1.64 0.11 -1.70 -1.74 132.00 135.48 2vcw h PRO 165 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2vcw h PRO 165 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2vcw h PRO 165 CO 0.42 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.81 2vcw n ASP 166 N -3.94 1.49 -0.24 -2.05 5.75 -1.26 -4.47 116.55 111.83 2vcw n ASP 166 Ca 0.06 -1.62 0.20 0.00 -0.01 0.00 0.00 54.79 53.42 2vcw n ASP 166 Cb 0.51 -0.07 0.53 0.00 -1.03 0.00 0.00 41.12 41.06 2vcw n ASP 166 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2vcw h LEU 167 N 2.07 0.37 -2.89 -2.12 5.85 -1.70 -2.29 115.31 114.60 2vcw h LEU 167 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2vcw h LEU 167 Cb 0.45 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2vcw h LEU 167 CO 0.00 0.14 0.00 0.18 -0.34 0.00 0.00 178.44 178.42 2vcw n LEU 168 N -4.49 3.20 0.17 2.25 4.77 -1.26 -4.63 117.00 117.00 2vcw n LEU 168 Ca 0.20 -2.06 0.18 0.00 -0.03 0.00 0.00 56.01 54.30 2vcw n LEU 168 Cb 0.74 -0.30 0.80 0.00 -2.33 0.00 0.00 43.42 42.33 2vcw n LEU 168 CO 0.31 0.77 1.16 0.44 -1.33 0.00 0.00 177.39 178.74 2vcw h ASP 169 N 2.45 0.00 -0.44 -1.43 3.32 -1.71 -0.36 116.42 118.24 2vcw h ASP 169 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2vcw h ASP 169 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2vcw h ASP 169 CO 0.02 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 2vcw n ASN 170 N -3.78 3.41 -3.25 6.45 3.02 -1.26 -4.70 115.26 115.16 2vcw n ASN 170 Ca 0.03 -2.16 -0.25 0.00 -0.03 0.00 0.00 54.58 52.18 2vcw n ASN 170 Cb 0.42 -0.35 -0.07 0.00 -0.61 0.00 0.00 39.78 39.18 2vcw n ASN 170 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2vcw n HIS 171 N 0.68 1.72 -0.14 3.10 8.25 -0.15 -4.95 115.22 123.73 2vcw n HIS 171 Ca 0.17 -3.87 0.05 0.00 -0.26 0.00 0.00 57.72 53.81 2vcw n HIS 171 Cb 0.56 -0.45 0.36 0.00 1.12 0.00 0.00 29.99 31.57 2vcw n HIS 171 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2vcw h PRO 172 N 3.85 0.72 -0.20 -0.41 0.13 -1.84 -1.46 132.00 132.79 2vcw h PRO 172 Ca 0.13 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.17 2vcw h PRO 172 Cb 0.76 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 2vcw h PRO 172 CO 0.65 0.48 -0.08 0.00 -0.23 0.00 0.00 178.00 178.81 2vcw h ARG 173 N 0.74 0.31 0.00 0.86 3.08 -1.94 0.11 114.38 117.55 2vcw h ARG 173 Ca 0.27 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 60.07 2vcw h ARG 173 Cb 0.13 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2vcw h ARG 173 CO -0.08 0.41 -0.85 -0.07 -1.07 0.00 0.00 179.97 178.31 2vcw h LEU 174 N 0.30 0.13 -0.37 3.04 3.38 -1.68 -2.02 115.31 118.09 2vcw h LEU 174 Ca 0.06 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2vcw h LEU 174 Cb 0.34 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2vcw h LEU 174 CO 0.02 0.92 -0.22 0.58 0.09 0.00 0.00 178.44 179.83 2vcw h VAL 175 N 0.05 1.28 -0.94 1.22 2.07 -0.82 -2.30 116.25 116.82 2vcw h VAL 175 Ca -0.03 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 2vcw h VAL 175 Cb 1.48 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 2vcw h VAL 175 CO 0.12 0.45 0.56 0.74 0.02 0.00 0.00 177.57 179.46 2vcw h THR 176 N 0.59 1.26 -0.29 2.57 2.02 -0.75 -1.66 112.91 116.65 2vcw h THR 176 Ca 0.08 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 2vcw h THR 176 Cb 0.77 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2vcw h THR 176 CO 0.06 0.27 0.11 0.25 0.37 0.00 0.00 175.52 176.59 2vcw h LEU 177 N 1.29 0.41 -0.42 2.58 5.85 -1.22 -0.19 115.31 123.61 2vcw h LEU 177 Ca 0.34 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.96 2vcw h LEU 177 Cb -0.05 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 2vcw h LEU 177 CO -0.06 0.48 0.03 0.03 -0.34 0.00 0.00 178.44 178.57 2vcw h ARG 178 N 0.32 0.14 -0.59 1.25 3.08 -1.17 -1.32 114.38 116.09 2vcw h ARG 178 Ca 0.10 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.17 2vcw h ARG 178 Cb 0.20 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2vcw h ARG 178 CO -0.01 0.09 0.35 0.87 -1.07 0.00 0.00 179.97 180.20 2vcw h LYS 179 N 0.14 0.66 -0.46 0.04 1.57 -0.99 -0.68 116.57 116.85 2vcw h LYS 179 Ca 0.21 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2vcw h LYS 179 Cb 0.29 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2vcw h LYS 179 CO -0.32 0.44 0.27 0.87 -0.57 0.00 0.00 179.45 180.13 2vcw h LYS 180 N 0.68 0.52 -0.33 3.15 1.57 -0.37 -1.04 116.57 120.75 2vcw h LYS 180 Ca 0.24 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2vcw h LYS 180 Cb 0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2vcw h LYS 180 CO -0.12 0.34 0.16 0.28 -0.57 0.00 0.00 179.45 179.55 2vcw h VAL 181 N 0.54 1.16 0.00 0.50 2.07 -0.91 -2.48 116.25 117.12 2vcw h VAL 181 Ca 0.19 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2vcw h VAL 181 Cb 0.03 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2vcw h VAL 181 CO -0.09 0.16 0.00 1.56 0.02 0.00 0.00 177.57 179.22 2vcw h GLN 182 N 0.40 0.00 0.00 1.57 4.20 -0.84 -2.35 115.11 118.09 2vcw h GLN 182 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2vcw h GLN 182 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2vcw h GLN 182 CO -0.01 0.00 -0.59 0.00 -0.67 0.00 0.00 178.83 177.55 2vcw h ALA 183 N 2.06 0.66 -2.28 3.87 0.00 -0.74 -3.25 119.26 119.58 2vcw h ALA 183 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2vcw h ALA 183 Cb 0.29 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.12 2vcw h ALA 183 CO 0.00 0.00 1.01 -0.89 0.00 0.00 0.00 179.25 179.37 2vcw n ILE 184 N -2.47 0.32 -0.15 0.00 5.41 -0.89 -4.76 119.36 116.83 2vcw n ILE 184 Ca 0.02 -0.06 -0.05 0.00 1.00 0.00 0.00 62.75 63.66 2vcw n ILE 184 Cb 0.49 -1.87 0.01 0.00 -0.71 0.00 0.00 39.64 37.56 2vcw n ILE 184 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2vcw h PRO 185 N 7.95 -0.16 -0.85 0.38 0.11 -1.89 0.26 132.00 137.80 2vcw h PRO 185 Ca -0.47 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.69 2vcw h PRO 185 Cb 1.25 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 2vcw h PRO 185 CO 0.93 -0.11 0.56 0.00 -0.21 0.00 0.00 178.00 179.17 2vcw h ALA 186 N 1.03 1.47 -0.11 -0.75 0.00 -1.90 -0.85 119.26 118.15 2vcw h ALA 186 Ca 0.21 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2vcw h ALA 186 Cb 0.51 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2vcw h ALA 186 CO -0.57 0.45 -0.13 0.28 0.00 0.00 0.00 179.25 179.28 2vcw h VAL 187 N 1.06 1.36 -0.43 0.00 2.07 -1.62 -2.41 116.25 116.28 2vcw h VAL 187 Ca 0.33 -1.32 0.07 0.00 0.82 0.00 0.00 66.70 66.61 2vcw h VAL 187 Cb 0.02 1.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 2vcw h VAL 187 CO -0.10 0.38 0.05 0.00 0.02 0.00 0.00 177.57 177.92 2vcw h ALA 188 N 0.57 0.44 -0.78 1.67 0.00 -0.16 0.90 119.26 121.90 2vcw h ALA 188 Ca 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2vcw h ALA 188 Cb 0.67 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2vcw h ALA 188 CO 0.03 -0.35 0.47 -0.91 0.00 0.00 0.00 179.25 178.49 2vcw h ASN 189 N 0.17 0.94 -0.35 0.00 2.35 -1.17 -1.15 115.58 116.36 2vcw h ASN 189 Ca 0.21 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 2vcw h ASN 189 Cb 0.29 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2vcw h ASN 189 CO -0.31 0.73 -0.25 -0.25 -1.65 0.00 0.00 177.43 175.70 2vcw h TRP 190 N 1.07 0.92 -0.70 1.19 2.91 -0.89 -2.07 115.95 118.38 2vcw h TRP 190 Ca 0.28 -0.25 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 2vcw h TRP 190 Cb -0.04 -0.20 -0.03 0.00 -0.51 0.00 0.00 29.16 28.37 2vcw h TRP 190 CO -0.01 1.01 0.41 0.82 -1.03 0.00 0.00 178.44 179.65 2vcw h ILE 191 N 0.57 1.20 -0.18 2.65 2.04 -0.53 0.49 117.51 123.75 2vcw h ILE 191 Ca 0.07 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 2vcw h ILE 191 Cb 0.81 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2vcw h ILE 191 CO 0.07 0.21 -0.03 0.50 0.00 0.00 0.00 178.15 178.90 2vcw h LYS 192 N 0.97 0.34 0.00 2.37 1.63 -1.11 -3.34 116.57 117.43 2vcw h LYS 192 Ca 0.25 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2vcw h LYS 192 Cb -0.02 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2vcw h LYS 192 CO -0.05 0.59 -0.80 0.07 -3.45 0.00 0.00 179.45 175.81 2vcw h ARG 193 N 0.06 0.00 -7.15 1.90 0.11 -1.12 -3.49 114.38 104.69 2vcw h ARG 193 Ca 0.05 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.60 2vcw h ARG 193 Cb 0.46 0.00 0.13 0.00 1.11 0.00 0.00 29.97 31.68 2vcw h ARG 193 CO 0.02 0.00 0.42 -0.98 0.10 0.00 0.00 179.97 179.53 2vcw s ARG 194 N -3.25 2.52 0.22 0.08 1.70 0.14 -4.93 118.95 115.43 2vcw s ARG 194 Ca 0.03 1.74 -0.32 0.00 -0.47 0.00 0.00 55.73 56.71 2vcw s ARG 194 Cb 0.12 -1.88 -0.13 0.00 -0.57 0.00 0.00 34.95 32.48 2vcw s ARG 194 CO 0.76 -1.53 1.48 -2.30 -1.08 0.00 0.00 175.30 172.62 2vcw n PRO 195 N -2.27 2.15 -3.08 3.89 -0.02 -1.26 -4.92 135.00 129.49 2vcw n PRO 195 Ca 0.13 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.95 2vcw n PRO 195 Cb 0.50 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 2vcw n PRO 195 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2vcw s GLN 196 N -0.00 3.25 0.28 -0.52 -1.52 -1.26 -4.94 119.66 114.95 2vcw s GLN 196 Ca 0.71 -0.47 0.07 0.00 -1.95 0.00 0.00 55.36 53.72 2vcw s GLN 196 Cb -0.64 -4.00 -0.06 0.00 -0.22 0.00 0.00 33.01 28.10 2vcw s GLN 196 CO 0.46 -1.11 -0.06 0.95 -0.25 0.00 0.00 175.29 175.27 2vcw s THR 197 N 2.92 1.68 0.02 -0.19 -4.23 -1.26 -5.07 115.64 109.51 2vcw s THR 197 Ca 0.22 -2.13 -0.23 0.00 -1.18 0.00 0.00 61.69 58.37 2vcw s THR 197 Cb -0.15 -2.46 -0.17 0.00 1.34 0.00 0.00 72.50 71.06 2vcw s THR 197 CO 0.18 -0.29 1.36 0.50 -0.54 0.00 0.00 174.62 175.82 2vcw h LYS 198 N 2.26 0.16 -0.01 3.99 3.64 -1.95 -3.48 116.57 121.19 2vcw h LYS 198 Ca -0.40 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2vcw h LYS 198 Cb 1.24 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2vcw h LYS 198 CO 0.67 0.54 0.00 1.28 -2.27 0.00 0.00 179.45 179.67