#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr8 h SER -1 N 0.00 0.34 -2.29 1.61 0.02 -1.88 -3.46 113.55 107.89 2wr8 h SER -1 Ca 0.00 -0.90 -0.59 0.00 -0.84 0.00 0.00 61.79 59.46 2wr8 h SER -1 Cb 0.00 -0.11 -0.12 0.00 0.14 0.00 0.00 62.40 62.31 2wr8 h SER -1 CO 0.00 1.42 -0.71 -1.00 -1.14 0.00 0.00 176.83 175.40 2wr8 s HIS 0 N -2.41 2.49 0.59 3.45 4.02 -1.26 -5.11 115.29 117.06 2wr8 s HIS 0 Ca -0.17 -0.28 -0.19 0.00 1.02 0.00 0.00 55.06 55.44 2wr8 s HIS 0 Cb 0.02 -1.10 -0.04 0.00 -1.02 0.00 0.00 32.58 30.44 2wr8 s HIS 0 CO 0.77 0.66 1.18 1.41 1.02 0.00 0.00 174.74 179.78 2wr8 s MET 1 N -3.51 3.04 -0.17 1.40 -2.45 -1.26 -4.43 119.30 111.92 2wr8 s MET 1 Ca 0.30 1.75 0.01 0.00 -1.25 0.00 0.00 55.69 56.49 2wr8 s MET 1 Cb -0.06 -1.95 0.03 0.00 1.25 0.00 0.00 34.83 34.10 2wr8 s MET 1 CO 0.17 -1.14 -0.13 0.42 1.05 0.00 0.00 175.02 175.39 2wr8 s ILE 2 N -1.69 1.63 0.18 10.11 1.01 -0.48 -1.43 121.20 130.54 2wr8 s ILE 2 Ca 0.76 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 2wr8 s ILE 2 Cb -0.28 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 2wr8 s ILE 2 CO 0.32 0.35 0.41 0.42 0.00 0.00 0.00 174.94 176.43 2wr8 s THR 3 N 1.44 5.16 -0.09 2.92 -4.23 0.26 -0.68 115.64 120.42 2wr8 s THR 3 Ca 0.02 -0.08 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 2wr8 s THR 3 Cb -0.14 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 70.04 2wr8 s THR 3 CO -0.10 -0.08 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.02 2wr8 s LEU 4 N -2.98 1.62 -0.08 4.79 1.43 -0.57 -0.86 118.68 122.03 2wr8 s LEU 4 Ca 0.41 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 53.14 2wr8 s LEU 4 Cb -0.12 -0.96 0.02 0.00 0.03 0.00 0.00 46.19 45.16 2wr8 s LEU 4 CO 0.27 0.00 -0.05 -0.89 0.23 0.00 0.00 176.35 175.91 2wr8 s THR 5 N 0.98 0.74 0.25 5.49 2.01 -0.70 -0.33 115.64 124.07 2wr8 s THR 5 Ca -0.08 -0.15 -0.07 0.00 0.31 0.00 0.00 61.69 61.71 2wr8 s THR 5 Cb -0.15 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 2wr8 s THR 5 CO -0.01 0.30 0.36 0.42 -0.69 0.00 0.00 174.62 175.00 2wr8 s THR 6 N 1.50 0.00 -0.19 -0.82 -4.23 -0.13 -0.65 115.64 111.12 2wr8 s THR 6 Ca -0.01 -1.65 0.16 0.00 -1.18 0.00 0.00 61.69 59.01 2wr8 s THR 6 Cb -0.13 -2.38 0.57 0.00 1.34 0.00 0.00 72.50 71.91 2wr8 s THR 6 CO -0.04 0.00 1.48 -0.90 -0.54 0.00 0.00 174.62 174.62 2wr8 n ASP 7 N -0.52 4.11 0.24 3.99 5.75 -1.14 -2.92 116.55 126.05 2wr8 n ASP 7 Ca 0.00 -3.04 0.09 0.00 -0.01 0.00 0.00 54.79 51.83 2wr8 n ASP 7 Cb 0.63 -0.57 0.59 0.00 -1.03 0.00 0.00 41.12 40.74 2wr8 n ASP 7 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 2wr8 h PHE 8 N 2.08 0.00 0.00 2.11 0.04 -1.80 -3.45 116.94 115.92 2wr8 h PHE 8 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2wr8 h PHE 8 Cb 1.55 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.70 2wr8 h PHE 8 CO 0.61 0.19 0.00 0.41 -0.60 0.00 0.00 178.31 178.93 2wr8 n GLY 9 N -0.56 -0.03 0.00 -1.45 0.00 0.84 -4.85 105.19 99.15 2wr8 n GLY 9 Ca -0.02 -1.76 0.10 0.00 0.00 0.00 0.00 46.02 44.35 2wr8 n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wr8 n LEU 10 N -1.02 0.46 -4.41 0.99 4.77 -1.26 -4.70 117.00 111.83 2wr8 n LEU 10 Ca 0.00 -0.24 -0.44 0.00 -0.03 0.00 0.00 56.01 55.29 2wr8 n LEU 10 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2wr8 n LEU 10 CO 0.00 0.11 0.40 -0.75 -1.33 0.00 0.00 177.39 175.83 2wr8 s LYS 11 N -3.16 3.08 0.00 3.23 2.20 -1.26 -4.92 119.74 118.90 2wr8 s LYS 11 Ca -0.00 -1.13 0.00 0.00 -0.36 0.00 0.00 55.97 54.48 2wr8 s LYS 11 Cb 0.14 -4.20 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 2wr8 s LYS 11 CO 0.84 -1.44 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 2wr8 n GLY 12 N 5.24 0.92 0.38 5.54 0.00 -1.26 -4.91 105.19 111.10 2wr8 n GLY 12 Ca -0.08 -1.95 0.13 0.00 0.00 0.00 0.00 46.02 44.12 2wr8 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wr8 n PRO 13 N 0.00 1.13 0.10 1.61 -0.04 -1.26 -4.65 135.00 131.89 2wr8 n PRO 13 Ca 0.00 -0.76 -0.13 0.00 -0.04 0.00 0.00 63.50 62.57 2wr8 n PRO 13 Cb 0.00 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 31.90 2wr8 n PRO 13 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2wr8 h TYR 14 N 1.84 -0.19 -0.47 0.54 0.99 -1.91 0.99 116.97 118.78 2wr8 h TYR 14 Ca 0.00 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2wr8 h TYR 14 Cb 0.59 0.06 -0.02 0.00 1.00 0.00 0.00 36.73 38.35 2wr8 h TYR 14 CO 0.00 0.01 0.29 0.28 -0.00 0.00 0.00 178.16 178.74 2wr8 h VAL 15 N -0.35 1.14 -0.49 -2.88 2.07 -1.84 -1.99 116.25 111.91 2wr8 h VAL 15 Ca -0.02 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.24 2wr8 h VAL 15 Cb 0.28 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2wr8 h VAL 15 CO 0.03 0.14 0.27 1.23 0.02 0.00 0.00 177.57 179.26 2wr8 h GLY 16 N 0.63 0.68 0.48 2.17 0.00 -1.80 -0.96 103.07 104.27 2wr8 h GLY 16 Ca 0.17 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.35 2wr8 h GLY 16 CO -0.03 0.15 -0.11 0.83 0.00 0.00 0.00 176.54 177.38 2wr8 h GLU 17 N 0.53 -0.09 -0.49 4.80 5.08 -0.59 0.09 114.58 123.91 2wr8 h GLU 17 Ca 0.20 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 2wr8 h GLU 17 Cb 0.07 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2wr8 h GLU 17 CO -0.12 -0.06 0.25 1.98 -1.00 0.00 0.00 179.01 180.06 2wr8 h MET 18 N -0.09 0.47 -0.35 2.33 4.05 -1.11 -1.15 114.93 119.08 2wr8 h MET 18 Ca 0.11 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 2wr8 h MET 18 Cb 0.26 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 2wr8 h MET 18 CO -0.25 0.31 0.14 0.87 0.23 0.00 0.00 176.91 178.21 2wr8 h LYS 19 N 0.48 0.52 -0.26 0.39 1.57 -0.83 -1.80 116.57 116.64 2wr8 h LYS 19 Ca 0.22 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2wr8 h LYS 19 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2wr8 h LYS 19 CO -0.16 0.51 -0.21 -0.39 -0.57 0.00 0.00 179.45 178.63 2wr8 h VAL 20 N 0.41 1.25 -0.66 0.50 -1.51 -0.75 -0.89 116.25 114.60 2wr8 h VAL 20 Ca 0.12 -1.19 0.01 0.00 -1.23 0.00 0.00 66.70 64.41 2wr8 h VAL 20 Cb 0.18 1.29 -0.03 0.00 -2.13 0.00 0.00 31.29 30.60 2wr8 h VAL 20 CO -0.01 0.38 0.44 0.00 -1.23 0.00 0.00 177.57 177.15 2wr8 h ALA 21 N 1.35 0.84 -0.39 5.19 0.00 -0.99 0.56 119.26 125.82 2wr8 h ALA 21 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2wr8 h ALA 21 Cb 0.61 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2wr8 h ALA 21 CO 0.04 0.26 0.20 0.52 0.00 0.00 0.00 179.25 180.27 2wr8 h MET 22 N 0.89 0.55 0.00 0.00 2.07 -0.92 -3.11 114.93 114.41 2wr8 h MET 22 Ca 0.25 -0.07 -0.12 0.00 -2.07 0.00 0.00 59.70 57.69 2wr8 h MET 22 Cb -0.09 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 29.52 2wr8 h MET 22 CO -0.06 0.46 -0.55 -0.07 1.07 0.00 0.00 176.91 177.76 2wr8 h LEU 23 N 0.50 0.00 -0.33 1.22 3.38 -0.85 0.36 115.31 119.58 2wr8 h LEU 23 Ca 0.14 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.17 2wr8 h LEU 23 Cb 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 2wr8 h LEU 23 CO -0.02 0.55 -0.11 0.03 0.09 0.00 0.00 178.44 178.98 2wr8 h ARG 24 N 0.00 -0.04 -0.07 1.13 3.08 -0.92 -2.16 114.38 115.40 2wr8 h ARG 24 Ca -0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 2wr8 h ARG 24 Cb 1.22 0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.29 2wr8 h ARG 24 CO 0.07 -0.03 -0.64 0.82 -1.07 0.00 0.00 179.97 179.12 2wr8 h ILE 25 N -0.04 1.35 -2.70 2.04 2.04 -1.34 -3.41 117.51 115.46 2wr8 h ILE 25 Ca 0.16 -1.97 -0.60 0.00 1.00 0.00 0.00 64.86 63.46 2wr8 h ILE 25 Cb 0.29 2.28 -0.40 0.00 -0.74 0.00 0.00 36.82 38.26 2wr8 h ILE 25 CO -0.36 0.59 -0.80 0.21 0.00 0.00 0.00 178.15 177.79 2wr8 s ASN 26 N -6.84 2.95 0.62 1.72 3.84 0.12 -4.97 114.94 112.38 2wr8 s ASN 26 Ca -0.12 -3.28 0.37 0.00 0.21 0.00 0.00 52.86 50.04 2wr8 s ASN 26 Cb 0.06 -0.94 2.09 0.00 -0.55 0.00 0.00 41.25 41.91 2wr8 s ASN 26 CO 0.85 -0.15 2.29 -0.65 -2.79 0.00 0.00 177.10 176.65 2wr8 h PRO 27 N 5.71 0.00 -0.61 0.43 0.11 -1.63 -1.73 132.00 134.28 2wr8 h PRO 27 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2wr8 h PRO 27 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2wr8 h PRO 27 CO 0.51 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 178.40 2wr8 n ASN 28 N -3.41 3.37 -4.71 -2.05 3.02 -1.26 -4.99 115.26 105.23 2wr8 n ASN 28 Ca -0.03 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.10 2wr8 n ASN 28 Cb 0.10 -0.41 -0.01 0.00 -0.61 0.00 0.00 39.78 38.85 2wr8 n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wr8 n ALA 29 N 1.35 1.47 -3.43 5.41 0.00 -0.65 -3.84 120.51 120.81 2wr8 n ALA 29 Ca 0.21 0.36 -0.44 0.00 0.00 0.00 0.00 53.44 53.58 2wr8 n ALA 29 Cb 0.54 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.64 2wr8 n ALA 29 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wr8 s LYS 30 N -1.78 2.87 -0.26 0.00 1.02 -1.26 -4.95 119.74 115.38 2wr8 s LYS 30 Ca 0.56 -1.91 -0.10 0.00 0.02 0.00 0.00 55.97 54.53 2wr8 s LYS 30 Cb -0.56 -4.14 -0.05 0.00 -0.52 0.00 0.00 37.83 32.56 2wr8 s LYS 30 CO 0.61 -1.26 0.16 0.42 -0.92 0.00 0.00 175.35 174.36 2wr8 s ILE 31 N 1.15 5.22 -0.24 2.17 1.01 -1.26 -1.38 121.20 127.88 2wr8 s ILE 31 Ca 0.07 0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 2wr8 s ILE 31 Cb -0.25 -3.46 0.03 0.00 0.01 0.00 0.00 42.46 38.79 2wr8 s ILE 31 CO -0.01 0.30 -0.09 -0.69 0.00 0.00 0.00 174.94 174.46 2wr8 s VAL 32 N 1.43 2.71 0.18 2.92 1.01 0.15 -4.96 120.40 123.82 2wr8 s VAL 32 Ca 0.07 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 2wr8 s VAL 32 Cb -0.15 -2.36 -0.08 0.00 0.00 0.00 0.00 36.38 33.79 2wr8 s VAL 32 CO 0.07 0.23 1.26 -1.81 0.00 0.00 0.00 175.10 174.86 2wr8 s ASP 33 N 1.30 6.98 -0.03 3.32 -0.00 -1.26 -1.51 116.67 125.47 2wr8 s ASP 33 Ca 0.00 2.30 -0.03 0.00 -0.00 0.00 0.00 52.55 54.82 2wr8 s ASP 33 Cb -0.16 -2.60 -0.01 0.00 -0.00 0.00 0.00 42.92 40.14 2wr8 s ASP 33 CO -0.06 -0.47 -0.06 0.52 -0.00 0.00 0.00 175.17 175.11 2wr8 n VAL 34 N 2.75 0.31 -3.53 -1.27 0.31 0.55 -4.86 118.33 112.60 2wr8 n VAL 34 Ca 0.06 0.43 -0.14 0.00 -0.01 0.00 0.00 64.34 64.68 2wr8 n VAL 34 Cb 0.44 -1.69 -0.05 0.00 -0.91 0.00 0.00 33.84 31.63 2wr8 n VAL 34 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2wr8 s THR 35 N -1.34 0.00 -0.08 2.52 -1.32 -1.14 -5.02 115.64 109.27 2wr8 s THR 35 Ca -0.05 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.54 2wr8 s THR 35 Cb 0.01 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.16 2wr8 s THR 35 CO 0.07 0.00 1.07 1.41 -2.21 0.00 0.00 174.62 174.96 2wr8 n HIS 36 N 0.66 0.00 -1.21 9.09 8.25 -1.25 -0.95 115.22 129.81 2wr8 n HIS 36 Ca -0.15 -0.61 0.08 0.00 -0.26 0.00 0.00 57.72 56.78 2wr8 n HIS 36 Cb 0.58 -0.11 0.17 0.00 1.12 0.00 0.00 29.99 31.76 2wr8 n HIS 36 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2wr8 n SER 37 N -0.86 2.34 -4.73 0.41 7.64 -1.20 -0.11 113.62 117.11 2wr8 n SER 37 Ca 0.09 -3.31 -0.41 0.00 1.01 0.00 0.00 58.87 56.25 2wr8 n SER 37 Cb 0.63 -0.47 0.01 0.00 -1.01 0.00 0.00 64.21 63.36 2wr8 n SER 37 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2wr8 n VAL 38 N -1.27 2.45 -1.64 0.44 0.31 -1.15 -4.83 118.33 112.65 2wr8 n VAL 38 Ca 0.18 -0.50 -0.48 0.00 -0.01 0.00 0.00 64.34 63.53 2wr8 n VAL 38 Cb 0.69 -1.71 -0.04 0.00 -0.91 0.00 0.00 33.84 31.86 2wr8 n VAL 38 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2wr8 n THR 39 N -0.02 0.18 -1.64 2.52 -1.04 -1.26 -4.53 114.28 108.49 2wr8 n THR 39 Ca 0.05 -0.04 -0.60 0.00 -2.04 0.00 0.00 64.05 61.41 2wr8 n THR 39 Cb 0.39 -1.27 -0.08 0.00 -1.82 0.00 0.00 70.33 67.55 2wr8 n THR 39 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2wr8 n ARG 40 N 2.86 0.46 -0.85 -2.82 1.85 -1.26 -1.31 116.66 115.59 2wr8 n ARG 40 Ca 0.17 0.17 0.00 0.00 -1.00 0.00 0.00 57.85 57.18 2wr8 n ARG 40 Cb 0.26 -1.73 0.00 0.00 -1.05 0.00 0.00 32.46 29.94 2wr8 n ARG 40 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2wr8 n HIS 41 N 3.28 0.00 -2.62 2.89 8.25 -1.26 -4.93 115.22 120.83 2wr8 n HIS 41 Ca 0.24 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.29 2wr8 n HIS 41 Cb 0.07 -1.10 -0.03 0.00 1.12 0.00 0.00 29.99 30.05 2wr8 n HIS 41 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2wr8 s SER 42 N -2.18 6.33 0.31 0.41 0.15 -0.43 -4.80 113.70 113.50 2wr8 s SER 42 Ca 0.00 -1.02 0.04 0.00 0.70 0.00 0.00 55.95 55.67 2wr8 s SER 42 Cb 0.00 -2.54 0.52 0.00 -1.71 0.00 0.00 66.02 62.30 2wr8 s SER 42 CO 0.00 -1.61 1.80 0.40 1.20 0.00 0.00 173.24 175.03 2wr8 h ILE 43 N 6.31 1.24 0.15 6.45 2.04 -1.88 -1.78 117.51 130.03 2wr8 h ILE 43 Ca -0.06 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 2wr8 h ILE 43 Cb 1.03 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2wr8 h ILE 43 CO 1.31 0.34 -0.07 0.25 0.00 0.00 0.00 178.15 179.99 2wr8 h LEU 44 N 0.41 -0.17 -0.39 1.44 5.85 -1.93 0.62 115.31 121.14 2wr8 h LEU 44 Ca 0.07 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 2wr8 h LEU 44 Cb 0.53 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2wr8 h LEU 44 CO 0.03 -0.11 -0.27 -0.08 -0.34 0.00 0.00 178.44 177.68 2wr8 h GLU 45 N -0.21 0.87 -0.74 1.25 4.81 -1.66 -2.10 114.58 116.80 2wr8 h GLU 45 Ca -0.02 -0.41 0.13 0.00 -0.13 0.00 0.00 59.36 58.93 2wr8 h GLU 45 Cb 0.16 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.44 2wr8 h GLU 45 CO 0.03 1.06 0.30 0.78 -0.73 0.00 0.00 179.01 180.45 2wr8 h GLY 46 N 0.67 1.11 1.02 1.92 0.00 -1.23 -1.23 103.07 105.34 2wr8 h GLY 46 Ca 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 2wr8 h GLY 46 CO 0.07 -0.07 0.25 0.23 0.00 0.00 0.00 176.54 177.03 2wr8 h SER 47 N 0.47 0.95 -0.44 0.19 0.87 -0.37 -1.53 113.55 113.70 2wr8 h SER 47 Ca 0.39 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2wr8 h SER 47 Cb 0.56 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 2wr8 h SER 47 CO -0.37 0.88 0.28 0.15 -0.53 0.00 0.00 176.83 177.24 2wr8 h PHE 48 N 0.97 0.56 -0.12 2.24 3.04 -0.84 0.75 116.94 123.53 2wr8 h PHE 48 Ca 0.22 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.16 2wr8 h PHE 48 Cb 0.24 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.56 2wr8 h PHE 48 CO 0.02 0.37 0.00 0.28 -2.02 0.00 0.00 178.31 176.96 2wr8 h VAL 49 N 0.58 1.25 -0.39 1.41 2.07 -1.03 -2.02 116.25 118.12 2wr8 h VAL 49 Ca 0.16 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 2wr8 h VAL 49 Cb -0.04 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2wr8 h VAL 49 CO -0.03 0.23 0.12 0.24 0.02 0.00 0.00 177.57 178.15 2wr8 h MET 50 N -0.04 0.57 -0.44 1.57 2.86 -1.04 -2.58 114.93 115.83 2wr8 h MET 50 Ca 0.04 -0.09 0.05 0.00 -2.06 0.00 0.00 59.70 57.64 2wr8 h MET 50 Cb 0.35 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.87 2wr8 h MET 50 CO 0.01 0.51 0.17 1.49 1.06 0.00 0.00 176.91 180.15 2wr8 h GLU 51 N 0.56 0.35 -0.55 1.72 4.81 -0.26 0.65 114.58 121.86 2wr8 h GLU 51 Ca 0.13 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 2wr8 h GLU 51 Cb 0.18 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2wr8 h GLU 51 CO -0.01 0.23 -0.09 1.96 -0.73 0.00 0.00 179.01 180.37 2wr8 h GLN 52 N 0.36 1.04 -0.34 1.92 1.08 -1.03 -1.91 115.11 116.23 2wr8 h GLN 52 Ca 0.20 -0.38 -0.17 0.00 -1.45 0.00 0.00 58.65 56.85 2wr8 h GLN 52 Cb 0.17 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2wr8 h GLN 52 CO -0.18 1.07 -0.45 0.28 -0.95 0.00 0.00 178.83 178.60 2wr8 h VAL 53 N 0.92 1.27 -0.95 -0.54 2.07 -1.24 -3.04 116.25 114.74 2wr8 h VAL 53 Ca 0.15 -1.62 0.05 0.00 0.82 0.00 0.00 66.70 66.09 2wr8 h VAL 53 Cb 0.66 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 2wr8 h VAL 53 CO 0.05 0.54 0.62 0.58 0.02 0.00 0.00 177.57 179.37 2wr8 h VAL 54 N 0.70 1.12 -0.22 2.57 2.07 -0.68 -1.84 116.25 119.97 2wr8 h VAL 54 Ca 0.04 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.20 2wr8 h VAL 54 Cb 1.05 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2wr8 h VAL 54 CO 0.11 0.21 0.15 0.11 0.02 0.00 0.00 177.57 178.17 2wr8 h LYS 55 N 1.15 0.15 -0.02 1.57 1.57 -1.23 -2.76 116.57 117.00 2wr8 h LYS 55 Ca 0.39 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2wr8 h LYS 55 Cb 0.09 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2wr8 h LYS 55 CO -0.14 0.10 -0.06 0.66 -0.57 0.00 0.00 179.45 179.45 2wr8 n TYR 56 N -4.50 0.00 -3.13 -1.35 4.01 -0.96 -5.02 117.16 106.21 2wr8 n TYR 56 Ca 0.01 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.43 2wr8 n TYR 56 Cb 0.18 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 2wr8 n TYR 56 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2wr8 s SER 57 N -1.49 6.69 0.69 7.72 0.01 -0.73 -5.06 113.70 121.53 2wr8 s SER 57 Ca 0.19 1.18 -0.11 0.00 1.31 0.00 0.00 55.95 58.51 2wr8 s SER 57 Cb 0.14 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 64.04 2wr8 s SER 57 CO 0.24 -0.22 1.06 -2.16 0.41 0.00 0.00 173.24 172.57 2wr8 s PRO 58 N -3.14 2.94 0.55 12.44 0.04 -1.26 -4.96 135.00 141.61 2wr8 s PRO 58 Ca 0.52 0.99 -0.22 0.00 0.04 0.00 0.00 61.00 62.34 2wr8 s PRO 58 Cb -0.10 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2wr8 s PRO 58 CO 0.21 -1.10 1.37 1.63 0.04 0.00 0.00 177.00 179.15 2wr8 n LYS 59 N -3.03 1.71 0.00 4.56 4.76 -1.26 -2.53 118.16 122.37 2wr8 n LYS 59 Ca 0.08 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.15 2wr8 n LYS 59 Cb 0.53 -2.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.14 2wr8 n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wr8 n GLY 60 N 0.74 1.65 3.77 0.72 0.00 0.11 -4.99 105.19 107.19 2wr8 n GLY 60 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2wr8 n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wr8 s THR 61 N -2.38 2.03 -0.20 2.61 2.01 -1.05 -4.70 115.64 113.95 2wr8 s THR 61 Ca 0.00 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 2wr8 s THR 61 Cb 0.00 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 2wr8 s THR 61 CO 0.00 0.00 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.19 2wr8 s VAL 62 N -1.19 3.37 -0.31 3.82 1.01 -0.51 -0.85 120.40 125.74 2wr8 s VAL 62 Ca 0.60 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 2wr8 s VAL 62 Cb -0.44 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.45 2wr8 s VAL 62 CO 0.57 0.44 0.05 -1.00 0.00 0.00 0.00 175.10 175.17 2wr8 s HIS 63 N 1.23 3.21 -0.22 5.22 3.76 -0.23 -0.57 115.29 127.69 2wr8 s HIS 63 Ca 0.03 -1.45 -0.14 0.00 -0.15 0.00 0.00 55.06 53.35 2wr8 s HIS 63 Cb -0.14 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 2wr8 s HIS 63 CO -0.02 -0.71 0.31 0.08 -0.85 0.00 0.00 174.74 173.55 2wr8 s VAL 64 N 1.38 5.26 -0.08 -0.90 1.01 -0.04 -0.42 120.40 126.61 2wr8 s VAL 64 Ca -0.01 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.50 2wr8 s VAL 64 Cb -0.19 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2wr8 s VAL 64 CO 0.01 0.28 -0.15 -0.83 0.00 0.00 0.00 175.10 174.41 2wr8 s GLY 65 N 1.08 0.94 -0.36 4.51 0.00 -0.39 -1.73 107.32 111.37 2wr8 s GLY 65 Ca 0.15 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.31 2wr8 s GLY 65 CO 0.07 0.01 0.21 0.14 0.00 0.00 0.00 173.10 173.53 2wr8 s VAL 66 N 0.59 0.24 -0.24 1.40 1.01 0.18 -4.09 120.40 119.49 2wr8 s VAL 66 Ca -0.15 -1.77 0.02 0.00 0.00 0.00 0.00 61.98 60.08 2wr8 s VAL 66 Cb -0.16 -1.19 0.05 0.00 0.00 0.00 0.00 36.38 35.08 2wr8 s VAL 66 CO 0.05 -0.98 -0.12 -0.63 0.00 0.00 0.00 175.10 173.42 2wr8 s ILE 67 N 1.02 2.07 -0.38 2.22 1.09 -1.26 -2.88 121.20 123.07 2wr8 s ILE 67 Ca 0.18 -1.46 0.11 0.00 -1.10 0.00 0.00 60.65 58.38 2wr8 s ILE 67 Cb -0.23 -2.14 0.35 0.00 -1.06 0.00 0.00 42.46 39.37 2wr8 s ILE 67 CO 0.01 0.06 0.81 -0.67 -0.10 0.00 0.00 174.94 175.05 2wr8 n ASP 68 N 4.49 0.31 0.14 3.58 2.03 -1.26 -4.84 116.55 121.00 2wr8 n ASP 68 Ca -0.15 -3.11 0.06 0.00 0.52 0.00 0.00 54.79 52.11 2wr8 n ASP 68 Cb 0.44 -0.18 0.52 0.00 -0.72 0.00 0.00 41.12 41.17 2wr8 n ASP 68 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2wr8 h PRO 69 N 2.99 0.23 -0.77 -0.67 0.13 -1.98 -2.68 132.00 129.26 2wr8 h PRO 69 Ca 0.06 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 2wr8 h PRO 69 Cb 1.00 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 2wr8 h PRO 69 CO 0.43 0.19 0.01 0.41 -0.23 0.00 0.00 178.00 178.82 2wr8 n GLY 70 N -1.40 2.38 3.71 1.56 0.00 -1.26 -4.96 105.19 105.22 2wr8 n GLY 70 Ca -0.00 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 2wr8 n GLY 70 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wr8 n VAL 71 N 0.34 2.45 0.00 1.61 3.14 -1.01 -4.53 118.33 120.32 2wr8 n VAL 71 Ca 0.16 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 2wr8 n VAL 71 Cb 0.80 -1.61 0.00 0.00 -1.06 0.00 0.00 33.84 31.98 2wr8 n VAL 71 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wr8 n GLY 72 N 0.77 -0.01 2.74 7.55 0.00 -1.26 -4.97 105.19 110.01 2wr8 n GLY 72 Ca 0.06 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2wr8 n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wr8 n GLU 74 N 0.00 3.57 -1.98 1.61 -0.58 -1.26 -4.93 120.64 117.07 2wr8 n GLU 74 Ca 0.00 -4.54 -0.37 0.00 -0.42 0.00 0.00 57.16 51.84 2wr8 n GLU 74 Cb 0.00 -2.28 0.03 0.00 -0.57 0.00 0.00 31.44 28.62 2wr8 n GLU 74 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2wr8 s ARG 75 N -3.71 3.12 0.40 3.49 1.04 -1.26 -5.03 118.95 117.00 2wr8 s ARG 75 Ca 0.48 1.93 -0.15 0.00 -1.04 0.00 0.00 55.73 56.95 2wr8 s ARG 75 Cb 0.33 -2.08 -0.08 0.00 -2.04 0.00 0.00 34.95 31.07 2wr8 s ARG 75 CO -0.19 -1.12 0.83 1.03 -0.04 0.00 0.00 175.30 175.81 2wr8 s ARG 76 N -3.12 3.97 -0.21 3.89 0.52 -1.26 -4.93 118.95 117.80 2wr8 s ARG 76 Ca 0.74 0.74 -0.09 0.00 -0.52 0.00 0.00 55.73 56.61 2wr8 s ARG 76 Cb -0.33 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 2wr8 s ARG 76 CO 0.37 -0.01 0.10 0.00 0.02 0.00 0.00 175.30 175.78 2wr8 s ALA 77 N -2.25 3.44 0.12 2.13 0.00 -1.26 -0.07 121.76 123.88 2wr8 s ALA 77 Ca 0.56 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.73 2wr8 s ALA 77 Cb -0.10 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 2wr8 s ALA 77 CO 0.23 -0.05 -0.16 0.96 0.00 0.00 0.00 175.76 176.74 2wr8 s ILE 78 N 0.80 1.46 -0.20 0.00 -4.36 -0.23 -0.58 121.20 118.10 2wr8 s ILE 78 Ca 0.05 -1.66 -0.04 0.00 -0.26 0.00 0.00 60.65 58.74 2wr8 s ILE 78 Cb -0.13 -1.53 -0.01 0.00 1.25 0.00 0.00 42.46 42.04 2wr8 s ILE 78 CO 0.02 -0.30 -0.04 -0.69 0.24 0.00 0.00 174.94 174.17 2wr8 s VAL 79 N -1.81 3.49 -0.28 8.37 1.01 0.05 -1.89 120.40 129.34 2wr8 s VAL 79 Ca 0.08 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 2wr8 s VAL 79 Cb -0.07 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2wr8 s VAL 79 CO 0.04 0.44 0.22 -0.63 0.00 0.00 0.00 175.10 175.17 2wr8 s ILE 80 N 1.15 5.29 -0.30 2.22 1.01 0.11 -0.60 121.20 130.08 2wr8 s ILE 80 Ca 0.02 0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.76 2wr8 s ILE 80 Cb -0.14 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2wr8 s ILE 80 CO -0.01 0.22 0.16 -0.70 0.00 0.00 0.00 174.94 174.62 2wr8 s GLU 81 N 1.80 3.55 0.00 2.79 2.12 0.18 -1.54 118.70 127.60 2wr8 s GLU 81 Ca 0.08 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.83 2wr8 s GLU 81 Cb -0.16 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.64 2wr8 s GLU 81 CO 0.11 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 2wr8 n GLY 82 N 5.01 3.98 0.15 -1.50 0.00 -1.26 0.33 105.19 111.90 2wr8 n GLY 82 Ca -0.14 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 44.76 2wr8 n GLY 82 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2wr8 h ASP 83 N 0.00 0.00 -3.51 1.61 -0.00 -1.76 -3.40 116.42 109.36 2wr8 h ASP 83 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.03 56.61 2wr8 h ASP 83 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 39.33 39.19 2wr8 h ASP 83 CO 0.00 0.00 -0.67 -1.10 -0.00 0.00 0.00 179.24 177.47 2wr8 s GLN 84 N -3.41 1.39 0.01 4.15 -0.21 -1.26 0.10 119.66 120.43 2wr8 s GLN 84 Ca 0.02 -1.70 0.00 0.00 0.02 0.00 0.00 55.36 53.71 2wr8 s GLN 84 Cb 0.09 -0.83 -0.04 0.00 1.00 0.00 0.00 33.01 33.22 2wr8 s GLN 84 CO 0.35 -0.02 0.07 0.71 -2.12 0.00 0.00 175.29 174.28 2wr8 s TYR 85 N -3.25 3.25 -0.07 0.91 1.51 -0.03 -4.66 117.35 115.01 2wr8 s TYR 85 Ca 0.28 0.18 0.05 0.00 -1.01 0.00 0.00 57.07 56.57 2wr8 s TYR 85 Cb 0.04 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 40.17 2wr8 s TYR 85 CO 0.09 0.54 -0.24 -0.51 -1.11 0.00 0.00 175.55 174.32 2wr8 s LEU 86 N -1.80 2.10 -0.28 -1.29 1.43 -0.59 -1.06 118.68 117.19 2wr8 s LEU 86 Ca 0.23 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 2wr8 s LEU 86 Cb -0.12 -1.39 0.08 0.00 0.03 0.00 0.00 46.19 44.78 2wr8 s LEU 86 CO 0.15 0.21 -0.03 -0.69 0.23 0.00 0.00 176.35 176.22 2wr8 s VAL 87 N 0.02 1.90 0.07 -1.59 1.01 0.44 0.07 120.40 122.32 2wr8 s VAL 87 Ca -0.09 -1.71 -0.12 0.00 0.00 0.00 0.00 61.98 60.05 2wr8 s VAL 87 Cb -0.15 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.03 2wr8 s VAL 87 CO 0.06 -0.29 0.28 0.68 0.00 0.00 0.00 175.10 175.83 2wr8 s VAL 88 N 1.17 0.10 0.49 2.92 -7.23 -0.79 -1.26 120.40 115.80 2wr8 s VAL 88 Ca -0.00 -0.82 -0.23 0.00 -1.81 0.00 0.00 61.98 59.12 2wr8 s VAL 88 Cb -0.19 -1.09 -0.06 0.00 0.56 0.00 0.00 36.38 35.60 2wr8 s VAL 88 CO -0.08 -0.45 1.28 -2.16 -0.31 0.00 0.00 175.10 173.38 2wr8 s PRO 89 N -3.13 3.49 -1.34 4.82 0.04 -1.26 -1.06 135.00 136.56 2wr8 s PRO 89 Ca -0.01 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 2wr8 s PRO 89 Cb 0.01 -2.38 0.08 0.00 0.04 0.00 0.00 34.50 32.25 2wr8 s PRO 89 CO -0.07 -0.85 1.87 -3.47 0.04 0.00 0.00 177.00 174.51 2wr8 n ASP 90 N -0.66 4.66 -0.29 6.66 2.03 0.90 -4.44 116.55 125.41 2wr8 n ASP 90 Ca 0.08 -2.92 0.00 0.00 0.52 0.00 0.00 54.79 52.47 2wr8 n ASP 90 Cb 0.46 -1.67 0.00 0.00 -0.72 0.00 0.00 41.12 39.19 2wr8 n ASP 90 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2wr8 n ASN 91 N 6.92 0.02 0.00 1.67 0.23 -1.26 -4.55 115.26 118.29 2wr8 n ASN 91 Ca 0.48 -1.59 0.00 0.00 -0.53 0.00 0.00 54.58 52.93 2wr8 n ASN 91 Cb 0.43 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 2wr8 n ASN 91 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr8 n GLY 92 N -0.01 0.76 0.38 4.83 0.00 -1.22 -4.83 105.19 105.11 2wr8 n GLY 92 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.19 2wr8 n GLY 92 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wr8 h LEU 93 N 0.00 0.27 0.00 0.99 5.85 -1.84 -0.98 115.31 119.61 2wr8 h LEU 93 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2wr8 h LEU 93 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2wr8 h LEU 93 CO 0.00 0.14 0.00 0.00 -0.34 0.00 0.00 178.44 178.24 2wr8 n ALA 94 N -2.56 1.85 0.17 1.25 0.00 -1.26 -4.30 120.51 115.66 2wr8 n ALA 94 Ca 0.12 -0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 2wr8 n ALA 94 Cb 0.53 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.61 2wr8 n ALA 94 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2wr8 h THR 95 N 0.00 0.74 -0.12 0.00 2.02 -1.49 -1.08 112.91 112.98 2wr8 h THR 95 Ca 0.00 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2wr8 h THR 95 Cb 0.31 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2wr8 h THR 95 CO 0.00 0.02 -0.01 -0.07 0.37 0.00 0.00 175.52 175.82 2wr8 h LEU 96 N -0.41 0.22 -1.89 2.58 3.38 -1.82 -3.07 115.31 114.31 2wr8 h LEU 96 Ca -0.04 -0.34 0.10 0.00 0.09 0.00 0.00 57.88 57.69 2wr8 h LEU 96 Cb 0.31 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2wr8 h LEU 96 CO 0.06 0.51 0.29 1.55 0.09 0.00 0.00 178.44 180.94 2wr8 h PRO 97 N -0.07 0.13 0.00 1.13 0.13 -1.71 -2.31 132.00 129.30 2wr8 h PRO 97 Ca 0.03 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2wr8 h PRO 97 Cb 0.41 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.51 2wr8 h PRO 97 CO 0.01 0.08 0.00 -0.07 -0.23 0.00 0.00 178.00 177.79 2wr8 h LEU 98 N 0.13 0.00 -2.35 1.56 3.38 -1.10 -1.17 115.31 115.76 2wr8 h LEU 98 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2wr8 h LEU 98 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2wr8 h LEU 98 CO -0.02 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.62 2wr8 h LYS 99 N 0.00 0.00 0.00 1.13 1.57 -1.47 -3.09 116.57 114.71 2wr8 h LYS 99 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wr8 h LYS 99 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2wr8 h LYS 99 CO 0.00 0.00 -0.00 0.72 -0.57 0.00 0.00 179.45 179.60 2wr8 n HIS 100 N -2.88 0.00 -4.96 -1.35 8.25 -0.45 -5.01 115.22 108.82 2wr8 n HIS 100 Ca -0.02 -0.49 -0.27 0.00 -0.26 0.00 0.00 57.72 56.68 2wr8 n HIS 100 Cb 0.11 -0.05 -0.16 0.00 1.12 0.00 0.00 29.99 31.01 2wr8 n HIS 100 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2wr8 s ILE 101 N -1.00 1.60 -0.39 1.59 1.01 -1.17 -4.98 121.20 117.85 2wr8 s ILE 101 Ca 0.01 -0.82 -0.22 0.00 0.00 0.00 0.00 60.65 59.61 2wr8 s ILE 101 Cb 0.01 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 41.14 2wr8 s ILE 101 CO 0.00 0.45 0.75 -0.54 0.00 0.00 0.00 174.94 175.60 2wr8 s LYS 102 N -0.14 3.60 -0.06 2.79 1.02 -1.26 -4.92 119.74 120.77 2wr8 s LYS 102 Ca -0.01 0.09 -0.21 0.00 0.02 0.00 0.00 55.97 55.86 2wr8 s LYS 102 Cb -0.11 -3.86 -0.04 0.00 -0.52 0.00 0.00 37.83 33.30 2wr8 s LYS 102 CO 0.02 -0.92 0.62 0.08 -0.92 0.00 0.00 175.35 174.22 2wr8 s VAL 103 N 3.07 5.03 -0.20 3.17 1.01 -1.26 -1.94 120.40 129.27 2wr8 s VAL 103 Ca 0.29 1.27 -0.16 0.00 0.00 0.00 0.00 61.98 63.38 2wr8 s VAL 103 Cb -0.13 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 2wr8 s VAL 103 CO 0.18 0.33 -0.13 1.17 0.00 0.00 0.00 175.10 176.65 2wr8 n LYS 104 N 3.39 0.53 -3.80 2.72 4.81 0.15 -4.94 118.16 121.02 2wr8 n LYS 104 Ca -0.04 0.43 -0.10 0.00 -0.87 0.00 0.00 58.31 57.73 2wr8 n LYS 104 Cb 0.51 -1.62 -0.05 0.00 0.02 0.00 0.00 35.03 33.90 2wr8 n LYS 104 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2wr8 s SER 105 N -6.51 -0.16 -0.02 3.14 1.04 -0.70 -5.02 113.70 105.48 2wr8 s SER 105 Ca -0.27 -0.58 0.05 0.00 0.48 0.00 0.00 55.95 55.62 2wr8 s SER 105 Cb 0.06 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 2wr8 s SER 105 CO 0.43 -0.98 -0.15 -0.69 0.98 0.00 0.00 173.24 172.83 2wr8 s VAL 106 N -3.89 1.23 -0.02 5.02 1.01 -1.26 0.49 120.40 122.98 2wr8 s VAL 106 Ca 0.11 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.50 2wr8 s VAL 106 Cb 0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 2wr8 s VAL 106 CO -0.03 0.35 -0.19 -0.31 0.00 0.00 0.00 175.10 174.92 2wr8 s TYR 107 N -0.24 1.73 -0.12 5.22 2.02 0.23 -1.06 117.35 125.13 2wr8 s TYR 107 Ca 0.03 -0.34 -0.22 0.00 -0.37 0.00 0.00 57.07 56.17 2wr8 s TYR 107 Cb -0.07 -1.12 -0.03 0.00 -0.40 0.00 0.00 41.96 40.34 2wr8 s TYR 107 CO -0.00 -0.04 0.67 -2.00 -1.57 0.00 0.00 175.55 172.61 2wr8 s GLU 108 N -0.41 4.34 0.19 -0.62 2.12 -0.13 -0.77 118.70 123.42 2wr8 s GLU 108 Ca 0.06 0.77 -0.30 0.00 0.36 0.00 0.00 54.97 55.86 2wr8 s GLU 108 Cb -0.08 -3.50 -0.08 0.00 0.26 0.00 0.00 34.13 30.73 2wr8 s GLU 108 CO -0.00 -0.07 1.14 0.42 -0.54 0.00 0.00 175.26 176.21 2wr8 s ILE 109 N 1.28 3.70 -0.34 -3.70 1.01 0.26 -1.28 121.20 122.13 2wr8 s ILE 109 Ca 0.34 1.48 -0.10 0.00 0.00 0.00 0.00 60.65 62.36 2wr8 s ILE 109 Cb -0.17 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.37 2wr8 s ILE 109 CO 0.14 0.26 0.18 -0.63 0.00 0.00 0.00 174.94 174.88 2wr8 s ILE 110 N -0.25 4.55 0.24 2.92 1.01 0.06 -4.69 121.20 125.05 2wr8 s ILE 110 Ca 0.50 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 2wr8 s ILE 110 Cb -0.31 -3.44 0.26 0.00 0.01 0.00 0.00 42.46 38.98 2wr8 s ILE 110 CO 0.36 -0.10 1.64 -0.65 0.00 0.00 0.00 174.94 176.20 2wr8 h PRO 111 N 8.39 0.13 -0.98 2.79 0.11 -1.95 -0.32 132.00 140.16 2wr8 h PRO 111 Ca -0.28 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.98 2wr8 h PRO 111 Cb 1.12 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.11 2wr8 h PRO 111 CO 0.64 0.08 0.61 0.22 -0.21 0.00 0.00 178.00 179.35 2wr8 h ASP 112 N 0.13 0.79 0.69 -2.05 3.58 -1.95 -0.21 116.42 117.40 2wr8 h ASP 112 Ca 0.41 0.07 -0.21 0.00 0.42 0.00 0.00 57.03 57.71 2wr8 h ASP 112 Cb 0.72 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2wr8 h ASP 112 CO -0.63 0.35 -0.98 0.11 -2.88 0.00 0.00 179.24 175.22 2wr8 h LYS 113 N 0.81 0.16 -0.11 0.28 1.57 -1.38 -3.05 116.57 114.86 2wr8 h LYS 113 Ca 0.52 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 2wr8 h LYS 113 Cb 0.75 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 2wr8 h LYS 113 CO -0.30 1.01 0.03 0.82 -0.57 0.00 0.00 179.45 180.45 2wr8 h ILE 114 N 0.07 1.17 -0.72 1.86 1.08 -0.83 -3.06 117.51 117.09 2wr8 h ILE 114 Ca -0.05 -0.53 0.19 0.00 -0.39 0.00 0.00 64.86 64.07 2wr8 h ILE 114 Cb 1.65 1.33 -0.04 0.00 -3.07 0.00 0.00 36.82 36.70 2wr8 h ILE 114 CO 0.15 0.16 0.51 -0.09 -0.69 0.00 0.00 178.15 178.18 2wr8 h ARG 115 N -0.01 0.12 -0.93 2.37 2.43 -1.07 0.35 114.38 117.64 2wr8 h ARG 115 Ca 0.03 -0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.36 2wr8 h ARG 115 Cb 0.22 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.66 2wr8 h ARG 115 CO -0.00 0.08 0.60 -0.22 -1.51 0.00 0.00 179.97 178.91 2wr8 h LYS 116 N 0.12 0.68 0.04 0.20 3.64 -1.42 -0.46 116.57 119.37 2wr8 h LYS 116 Ca 0.35 -0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 59.37 2wr8 h LYS 116 Cb 1.20 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.83 2wr8 h LYS 116 CO -0.05 0.45 -1.82 1.19 -2.27 0.00 0.00 179.45 176.95 2wr8 n PHE 117 N -4.60 1.05 -0.09 1.91 3.72 0.12 -4.51 117.46 115.05 2wr8 n PHE 117 Ca 0.19 0.32 -0.17 0.00 -0.05 0.00 0.00 57.45 57.75 2wr8 n PHE 117 Cb 0.52 -1.17 -0.10 0.00 -0.94 0.00 0.00 39.48 37.79 2wr8 n PHE 117 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2wr8 h THR 118 N 0.02 0.90 0.00 4.37 1.35 -1.32 -3.49 112.91 114.74 2wr8 h THR 118 Ca -0.34 -1.98 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 2wr8 h THR 118 Cb 2.03 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 70.45 2wr8 h THR 118 CO 0.08 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 2wr8 n GLY 119 N 1.51 0.30 3.51 5.82 0.00 -0.19 -5.08 105.19 111.07 2wr8 n GLY 119 Ca -0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 2wr8 n GLY 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2wr8 s TRP 120 N -2.00 2.37 0.22 1.61 -2.14 -1.26 -5.07 118.94 112.67 2wr8 s TRP 120 Ca 0.00 -0.35 -0.31 0.00 2.66 0.00 0.00 56.10 58.09 2wr8 s TRP 120 Cb 0.00 -1.10 -0.12 0.00 -3.10 0.00 0.00 33.47 29.15 2wr8 s TRP 120 CO 0.00 0.67 1.68 -2.00 -2.66 0.00 0.00 176.95 174.64 2wr8 s GLU 121 N -3.56 4.13 -0.28 3.25 2.12 -1.26 -4.85 118.70 118.26 2wr8 s GLU 121 Ca 0.31 2.58 -0.29 0.00 0.36 0.00 0.00 54.97 57.93 2wr8 s GLU 121 Cb -0.04 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.29 2wr8 s GLU 121 CO 0.16 -0.71 1.16 0.42 -0.54 0.00 0.00 175.26 175.75 2wr8 s ILE 122 N 0.90 4.39 0.92 -3.70 1.01 -1.26 -5.01 121.20 118.45 2wr8 s ILE 122 Ca 0.72 1.62 -0.11 0.00 0.00 0.00 0.00 60.65 62.88 2wr8 s ILE 122 Cb -0.49 -4.27 0.14 0.00 0.01 0.00 0.00 42.46 37.86 2wr8 s ILE 122 CO 0.36 -0.39 1.11 -0.94 0.00 0.00 0.00 174.94 175.07 2wr8 s SER 123 N 1.96 3.08 0.41 3.58 1.04 -1.26 -4.95 113.70 117.56 2wr8 s SER 123 Ca 0.50 1.88 0.22 0.00 0.48 0.00 0.00 55.95 59.03 2wr8 s SER 123 Cb -0.15 -2.45 0.58 0.00 0.10 0.00 0.00 66.02 64.10 2wr8 s SER 123 CO 0.16 -2.95 1.68 0.28 0.98 0.00 0.00 173.24 173.40 2wr8 h SER 124 N -1.76 0.00 0.00 7.02 0.02 -2.01 -3.39 113.55 113.42 2wr8 h SER 124 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2wr8 h SER 124 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2wr8 h SER 124 CO 0.47 0.22 -0.84 0.35 -1.14 0.00 0.00 176.83 175.89 2wr8 n THR 125 N -3.23 0.00 -2.98 -2.27 -2.24 -1.26 -4.04 114.28 98.26 2wr8 n THR 125 Ca 0.02 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.40 2wr8 n THR 125 Cb 0.53 -0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2wr8 n THR 125 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2wr8 n PHE 126 N -1.52 2.59 0.28 4.78 -0.00 -1.26 -4.76 117.46 117.58 2wr8 n PHE 126 Ca 0.00 -2.83 0.15 0.00 -0.00 0.00 0.00 57.45 54.77 2wr8 n PHE 126 Cb 0.22 -1.12 0.48 0.00 -0.00 0.00 0.00 39.48 39.06 2wr8 n PHE 126 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2wr8 h HIS 127 N 4.90 0.00 -0.50 -5.13 3.86 -1.89 -2.56 115.15 113.83 2wr8 h HIS 127 Ca 0.27 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.56 2wr8 h HIS 127 Cb 0.55 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.96 2wr8 h HIS 127 CO 1.04 0.00 0.13 0.78 0.86 0.00 0.00 177.93 180.74 2wr8 h GLY 128 N 2.86 0.63 1.47 2.45 0.00 -1.95 0.20 103.07 108.73 2wr8 h GLY 128 Ca 0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 47.33 47.09 2wr8 h GLY 128 CO 0.00 -0.04 -0.73 -0.09 0.00 0.00 0.00 176.54 175.68 2wr8 h ARG 129 N 0.27 0.52 0.00 4.80 2.43 -1.86 -0.49 114.38 120.05 2wr8 h ARG 129 Ca 0.25 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2wr8 h ARG 129 Cb 0.31 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2wr8 h ARG 129 CO -0.30 1.04 -1.07 -0.25 -1.51 0.00 0.00 179.97 177.89 2wr8 n ASP 130 N -3.87 0.83 0.13 -3.80 10.43 -0.99 -4.47 116.55 114.82 2wr8 n ASP 130 Ca -0.05 -0.70 0.00 0.00 2.57 0.00 0.00 54.79 56.61 2wr8 n ASP 130 Cb 0.71 1.20 0.00 0.00 1.84 0.00 0.00 41.12 44.87 2wr8 n ASP 130 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 2wr8 n ILE 131 N -1.59 0.10 -0.03 0.53 5.41 0.43 -4.82 119.36 119.41 2wr8 n ILE 131 Ca 0.02 0.03 -0.13 0.00 1.00 0.00 0.00 62.75 63.67 2wr8 n ILE 131 Cb 0.32 -0.56 -0.09 0.00 -0.71 0.00 0.00 39.64 38.60 2wr8 n ILE 131 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2wr8 h PHE 132 N 0.00 0.12 0.30 1.39 0.04 -0.92 -0.69 116.94 117.19 2wr8 h PHE 132 Ca 0.00 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 2wr8 h PHE 132 Cb 0.00 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.13 2wr8 h PHE 132 CO 0.00 0.59 -0.15 0.78 -0.60 0.00 0.00 178.31 178.94 2wr8 h GLY 133 N -0.38 -0.43 0.30 -1.45 0.00 -1.27 -1.11 103.07 98.73 2wr8 h GLY 133 Ca 0.00 0.16 0.12 0.00 0.00 0.00 0.00 47.33 47.61 2wr8 h GLY 133 CO 0.01 -0.16 0.33 -2.55 0.00 0.00 0.00 176.54 174.17 2wr8 h PRO 134 N -0.42 0.50 -0.15 4.80 0.11 -1.75 -0.44 132.00 134.65 2wr8 h PRO 134 Ca -0.04 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2wr8 h PRO 134 Cb 0.32 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 2wr8 h PRO 134 CO 0.07 0.33 0.09 0.00 -0.21 0.00 0.00 178.00 178.28 2wr8 h ALA 135 N 1.49 0.19 -0.59 -0.75 0.00 -0.89 0.11 119.26 118.82 2wr8 h ALA 135 Ca 0.39 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.40 2wr8 h ALA 135 Cb 0.51 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 2wr8 h ALA 135 CO -0.34 -0.34 0.14 0.78 0.00 0.00 0.00 179.25 179.49 2wr8 h GLY 136 N 0.19 0.77 0.92 0.00 0.00 -0.83 -0.29 103.07 103.82 2wr8 h GLY 136 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 2wr8 h GLY 136 CO -0.03 -0.10 0.07 0.00 0.00 0.00 0.00 176.54 176.49 2wr8 h ALA 137 N 1.46 0.48 -0.08 3.60 0.00 -0.73 -1.78 119.26 122.20 2wr8 h ALA 137 Ca 0.31 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wr8 h ALA 137 Cb 0.44 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wr8 h ALA 137 CO -0.38 0.17 0.05 -0.07 0.00 0.00 0.00 179.25 179.02 2wr8 h LEU 138 N 0.43 0.10 -0.34 0.00 3.38 -0.53 -1.11 115.31 117.24 2wr8 h LEU 138 Ca 0.11 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2wr8 h LEU 138 Cb 0.34 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2wr8 h LEU 138 CO 0.01 0.12 0.01 0.40 0.09 0.00 0.00 178.44 179.06 2wr8 h ILE 139 N 0.07 0.76 0.00 1.22 2.04 -0.99 -0.39 117.51 120.22 2wr8 h ILE 139 Ca 0.03 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 2wr8 h ILE 139 Cb 0.04 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2wr8 h ILE 139 CO -0.01 0.02 -0.19 -0.08 0.00 0.00 0.00 178.15 177.90 2wr8 h GLU 140 N 0.11 0.00 0.00 2.37 4.22 -1.19 -2.29 114.58 117.80 2wr8 h GLU 140 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.60 2wr8 h GLU 140 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2wr8 h GLU 140 CO -0.27 0.19 0.00 1.17 -2.18 0.00 0.00 179.01 177.92 2wr8 n LYS 141 N -3.96 0.13 0.00 1.92 4.81 -0.43 -4.55 118.16 116.08 2wr8 n LYS 141 Ca -0.02 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2wr8 n LYS 141 Cb 0.27 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.63 2wr8 n LYS 141 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wr8 n GLY 142 N 0.65 1.00 3.66 3.14 0.00 -0.86 -5.06 105.19 107.73 2wr8 n GLY 142 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2wr8 n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr8 s ILE 143 N -2.00 4.70 0.27 -0.61 -1.09 -0.23 -5.01 121.20 117.23 2wr8 s ILE 143 Ca 0.00 2.00 -0.29 0.00 -2.23 0.00 0.00 60.65 60.13 2wr8 s ILE 143 Cb 0.00 -4.30 -0.10 0.00 -1.58 0.00 0.00 42.46 36.48 2wr8 s ILE 143 CO 0.00 -0.16 1.35 -1.00 -1.23 0.00 0.00 174.94 173.91 2wr8 s HIS 144 N 3.07 3.09 0.56 3.97 3.76 -1.26 -3.94 115.29 124.53 2wr8 s HIS 144 Ca 0.44 1.24 0.29 0.00 -0.15 0.00 0.00 55.06 56.87 2wr8 s HIS 144 Cb -0.15 -3.71 1.46 0.00 1.11 0.00 0.00 32.58 31.29 2wr8 s HIS 144 CO 0.07 -2.14 1.93 -1.35 -0.85 0.00 0.00 174.74 172.40 2wr8 h PRO 145 N 4.42 0.00 -0.42 8.40 0.11 -1.96 -0.02 132.00 142.53 2wr8 h PRO 145 Ca -0.47 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.76 2wr8 h PRO 145 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2wr8 h PRO 145 CO 0.72 0.00 0.36 0.93 -0.21 0.00 0.00 178.00 179.80 2wr8 h GLU 146 N 0.00 0.00 0.00 1.05 3.07 -1.91 -0.74 114.58 116.05 2wr8 h GLU 146 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 2wr8 h GLU 146 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 2wr8 h GLU 146 CO -0.00 0.00 0.00 0.93 -1.40 0.00 0.00 179.01 178.54 2wr8 h GLU 147 N 0.00 0.00 0.00 2.33 5.08 -1.36 -3.32 114.58 117.31 2wr8 h GLU 147 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2wr8 h GLU 147 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2wr8 h GLU 147 CO -0.00 0.00 -0.33 1.97 -1.00 0.00 0.00 179.01 179.65 2wr8 n PHE 148 N -2.42 0.00 -3.66 4.33 -1.74 -0.82 -4.92 117.46 108.23 2wr8 n PHE 148 Ca 0.04 -0.07 -0.05 0.00 -0.56 0.00 0.00 57.45 56.81 2wr8 n PHE 148 Cb 0.37 -0.04 0.02 0.00 1.52 0.00 0.00 39.48 41.34 2wr8 n PHE 148 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2wr8 n GLY 149 N -0.10 1.05 2.90 4.97 0.00 -0.35 -0.76 105.19 112.90 2wr8 n GLY 149 Ca 0.01 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 2wr8 n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wr8 s ARG 150 N -2.05 0.13 0.31 1.61 1.70 -0.40 -4.47 118.95 115.78 2wr8 s ARG 150 Ca 0.14 -0.05 -0.29 0.00 -0.47 0.00 0.00 55.73 55.05 2wr8 s ARG 150 Cb -0.03 -0.14 -0.10 0.00 -0.57 0.00 0.00 34.95 34.12 2wr8 s ARG 150 CO 0.07 0.03 1.23 -2.00 -1.08 0.00 0.00 175.30 173.55 2wr8 s GLU 151 N -0.01 4.46 0.19 3.89 2.12 -1.26 -0.96 118.70 127.12 2wr8 s GLU 151 Ca 0.00 2.06 0.06 0.00 0.36 0.00 0.00 54.97 57.46 2wr8 s GLU 151 Cb -0.01 -3.12 -0.05 0.00 0.26 0.00 0.00 34.13 31.22 2wr8 s GLU 151 CO -0.00 -0.05 -0.12 0.96 -0.54 0.00 0.00 175.26 175.51 2wr8 s ILE 152 N -1.08 1.49 0.28 -3.70 -4.36 -0.22 -4.86 121.20 108.74 2wr8 s ILE 152 Ca 0.48 -2.14 -0.30 0.00 -0.26 0.00 0.00 60.65 58.43 2wr8 s ILE 152 Cb -0.37 -2.00 -0.10 0.00 1.25 0.00 0.00 42.46 41.23 2wr8 s ILE 152 CO 0.48 -0.63 1.43 -2.84 0.24 0.00 0.00 174.94 173.63 2wr8 s PRO 153 N -3.70 4.26 0.44 0.37 0.02 -1.26 -4.16 135.00 130.97 2wr8 s PRO 153 Ca 0.21 2.33 0.12 0.00 0.02 0.00 0.00 61.00 63.68 2wr8 s PRO 153 Cb 0.01 -3.08 1.01 0.00 0.02 0.00 0.00 34.50 32.46 2wr8 s PRO 153 CO 0.05 -0.41 2.05 0.28 -0.33 0.00 0.00 177.00 178.64 2wr8 h VAL 154 N 3.39 1.01 -0.05 3.83 2.07 -1.96 -2.48 116.25 122.05 2wr8 h VAL 154 Ca -0.47 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2wr8 h VAL 154 Cb 1.22 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2wr8 h VAL 154 CO 0.74 0.07 0.00 -0.90 0.02 0.00 0.00 177.57 177.50 2wr8 n ASP 155 N -4.48 0.45 -0.07 0.57 5.75 -1.26 -3.76 116.55 113.74 2wr8 n ASP 155 Ca 0.04 -1.53 0.12 0.00 -0.01 0.00 0.00 54.79 53.41 2wr8 n ASP 155 Cb 0.18 -0.03 0.16 0.00 -1.03 0.00 0.00 41.12 40.41 2wr8 n ASP 155 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2wr8 n SER 156 N -0.47 0.81 -4.86 -1.12 3.41 -0.93 -4.99 113.62 105.46 2wr8 n SER 156 Ca 0.14 -0.62 -0.31 0.00 -0.26 0.00 0.00 58.87 57.82 2wr8 n SER 156 Cb 0.13 0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 2wr8 n SER 156 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2wr8 s ILE 157 N -2.89 4.66 0.27 -1.33 -4.36 -1.25 -4.99 121.20 111.31 2wr8 s ILE 157 Ca 0.13 0.93 -0.29 0.00 -0.26 0.00 0.00 60.65 61.16 2wr8 s ILE 157 Cb 0.17 -3.74 -0.10 0.00 1.25 0.00 0.00 42.46 40.04 2wr8 s ILE 157 CO 0.70 -0.67 1.32 -0.69 0.24 0.00 0.00 174.94 175.84 2wr8 s VAL 158 N -2.59 2.93 -0.05 8.37 1.01 -1.26 -5.01 120.40 123.80 2wr8 s VAL 158 Ca 0.55 0.84 0.04 0.00 0.00 0.00 0.00 61.98 63.41 2wr8 s VAL 158 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2wr8 s VAL 158 CO 0.34 0.16 -0.16 -0.54 0.00 0.00 0.00 175.10 174.90 2wr8 s LYS 159 N -0.95 1.80 0.40 2.72 -0.14 -1.26 -3.39 119.74 118.91 2wr8 s LYS 159 Ca 0.53 -0.56 -0.24 0.00 -1.36 0.00 0.00 55.97 54.34 2wr8 s LYS 159 Cb -0.38 -1.52 -0.09 0.00 -1.68 0.00 0.00 37.83 34.16 2wr8 s LYS 159 CO 0.45 0.18 1.09 -0.51 -0.76 0.00 0.00 175.35 175.81 2wr8 s LEU 160 N 0.21 4.15 -0.49 3.17 1.43 -1.26 -4.90 118.68 121.00 2wr8 s LEU 160 Ca -0.07 2.16 -0.25 0.00 -1.03 0.00 0.00 54.13 54.93 2wr8 s LEU 160 Cb -0.13 -4.13 0.03 0.00 0.03 0.00 0.00 46.19 41.99 2wr8 s LEU 160 CO 0.03 -0.58 0.95 0.21 0.23 0.00 0.00 176.35 177.20 2wr8 s ASN 161 N -1.41 6.46 0.00 2.29 3.84 -1.26 -4.86 114.94 120.00 2wr8 s ASN 161 Ca 0.58 0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.67 2wr8 s ASN 161 Cb -0.25 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 2wr8 s ASN 161 CO 0.32 -1.13 0.32 1.33 -2.79 0.00 0.00 177.10 175.15 2wr8 n VAL 162 N 6.41 0.00 -2.83 -5.21 0.24 -1.26 -5.05 118.33 110.62 2wr8 n VAL 162 Ca 0.05 -0.45 -0.39 0.00 -2.04 0.00 0.00 64.34 61.52 2wr8 n VAL 162 Cb 0.48 1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 33.86 2wr8 n VAL 162 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2wr8 s GLU 163 N -0.25 4.70 0.86 7.34 0.41 -1.26 -4.98 118.70 125.51 2wr8 s GLU 163 Ca 0.00 1.34 -0.12 0.00 -0.41 0.00 0.00 54.97 55.79 2wr8 s GLU 163 Cb 0.00 -3.15 0.10 0.00 -1.78 0.00 0.00 34.13 29.30 2wr8 s GLU 163 CO 0.00 0.47 1.11 -1.25 -0.49 0.00 0.00 175.26 175.10 2wr8 s PRO 164 N -1.40 1.60 0.06 0.39 0.04 -1.26 -5.03 135.00 129.39 2wr8 s PRO 164 Ca 0.42 0.56 0.05 0.00 0.04 0.00 0.00 61.00 62.06 2wr8 s PRO 164 Cb -0.23 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2wr8 s PRO 164 CO 0.28 -1.94 -0.06 1.03 0.04 0.00 0.00 177.00 176.36 2wr8 s ARG 165 N -5.15 2.44 -0.07 4.56 0.52 -0.96 -4.99 118.95 115.30 2wr8 s ARG 165 Ca 0.62 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 55.01 2wr8 s ARG 165 Cb -0.15 -2.46 0.02 0.00 0.52 0.00 0.00 34.95 32.87 2wr8 s ARG 165 CO 0.55 0.56 -0.10 0.21 0.02 0.00 0.00 175.30 176.54 2wr8 s LYS 166 N -1.89 1.51 -0.29 3.54 2.20 -1.26 0.33 119.74 123.88 2wr8 s LYS 166 Ca 0.21 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.52 2wr8 s LYS 166 Cb -0.11 -1.36 0.07 0.00 -1.51 0.00 0.00 37.83 34.92 2wr8 s LYS 166 CO 0.12 -0.07 -0.04 -1.21 -0.36 0.00 0.00 175.35 173.79 2wr8 s GLU 167 N 0.98 2.08 7.90 4.03 2.02 0.16 -4.97 118.70 130.89 2wr8 s GLU 167 Ca -0.09 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.42 2wr8 s GLU 167 Cb -0.15 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.05 2wr8 s GLU 167 CO 0.00 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.01 2wr8 n GLY 168 N 4.42 3.71 0.84 -1.39 0.00 -1.26 -1.40 105.19 110.12 2wr8 n GLY 168 Ca -0.09 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 45.96 2wr8 n GLY 168 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wr8 n ASP 169 N 6.78 2.44 -4.38 1.61 5.68 -1.26 -4.86 116.55 122.57 2wr8 n ASP 169 Ca 0.00 -1.99 -0.36 0.00 -0.50 0.00 0.00 54.79 51.94 2wr8 n ASP 169 Cb 0.00 -0.30 -0.13 0.00 -1.14 0.00 0.00 41.12 39.55 2wr8 n ASP 169 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2wr8 s VAL 170 N -1.40 3.80 0.13 2.12 1.01 -0.49 -4.48 120.40 121.09 2wr8 s VAL 170 Ca 0.31 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 2wr8 s VAL 170 Cb 0.16 -2.75 -0.07 0.00 0.00 0.00 0.00 36.38 33.72 2wr8 s VAL 170 CO 0.21 0.39 0.67 0.26 0.00 0.00 0.00 175.10 176.64 2wr8 s TRP 171 N 1.47 3.84 -0.41 5.22 0.52 -0.29 0.38 118.94 129.67 2wr8 s TRP 171 Ca 0.05 1.44 -0.08 0.00 0.02 0.00 0.00 56.10 57.54 2wr8 s TRP 171 Cb -0.15 -2.62 0.08 0.00 -1.15 0.00 0.00 33.47 29.63 2wr8 s TRP 171 CO 0.00 0.53 0.23 0.42 0.02 0.00 0.00 176.95 178.16 2wr8 s ILE 172 N -1.17 4.02 0.10 2.03 1.01 0.15 -0.90 121.20 126.45 2wr8 s ILE 172 Ca 0.33 -1.47 0.04 0.00 0.00 0.00 0.00 60.65 59.55 2wr8 s ILE 172 Cb -0.21 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2wr8 s ILE 172 CO 0.22 -0.49 0.07 -0.76 0.00 0.00 0.00 174.94 173.98 2wr8 s LEU 173 N 1.38 3.70 -0.06 2.97 1.43 -0.23 -2.27 118.68 125.61 2wr8 s LEU 173 Ca 0.03 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2wr8 s LEU 173 Cb -0.23 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 2wr8 s LEU 173 CO 0.01 0.15 -0.07 -0.75 0.23 0.00 0.00 176.35 175.92 2wr8 s LYS 174 N -2.51 2.71 -0.27 1.70 2.20 -1.26 0.11 119.74 122.42 2wr8 s LYS 174 Ca 0.29 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 55.03 2wr8 s LYS 174 Cb -0.12 -2.57 -0.01 0.00 -1.51 0.00 0.00 37.83 33.62 2wr8 s LYS 174 CO 0.21 0.65 1.41 0.08 -0.36 0.00 0.00 175.35 177.34 2wr8 s VAL 175 N -0.84 3.99 -0.40 4.02 1.01 -0.00 -1.57 120.40 126.61 2wr8 s VAL 175 Ca 0.13 1.13 0.16 0.00 0.00 0.00 0.00 61.98 63.40 2wr8 s VAL 175 Cb -0.11 -4.00 -0.21 0.00 0.00 0.00 0.00 36.38 32.06 2wr8 s VAL 175 CO 0.02 -0.40 0.53 2.30 0.00 0.00 0.00 175.10 177.55 2wr8 n ILE 176 N 6.24 0.00 -3.61 2.22 -5.35 -0.22 -0.45 119.36 118.19 2wr8 n ILE 176 Ca 0.16 -0.25 -0.14 0.00 -0.27 0.00 0.00 62.75 62.25 2wr8 n ILE 176 Cb 0.46 0.58 -0.07 0.00 -1.74 0.00 0.00 39.64 38.87 2wr8 n ILE 176 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2wr8 s TYR 177 N -2.82 -0.75 -0.09 4.28 5.04 -1.20 -4.04 117.35 117.77 2wr8 s TYR 177 Ca 0.00 1.76 0.01 0.00 -2.44 0.00 0.00 57.07 56.40 2wr8 s TYR 177 Cb 0.11 0.30 0.02 0.00 0.35 0.00 0.00 41.96 42.74 2wr8 s TYR 177 CO 0.67 -0.41 -0.09 0.42 -1.34 0.00 0.00 175.55 174.80 2wr8 s ILE 178 N 0.10 0.99 0.79 3.14 1.01 -1.26 -0.66 121.20 125.31 2wr8 s ILE 178 Ca -0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 2wr8 s ILE 178 Cb -0.04 -0.97 0.16 0.00 0.01 0.00 0.00 42.46 41.62 2wr8 s ILE 178 CO 0.02 0.34 1.09 -0.90 0.00 0.00 0.00 174.94 175.49 2wr8 n ASP 179 N 4.41 1.06 0.04 3.58 5.68 -0.83 -4.91 116.55 125.58 2wr8 n ASP 179 Ca -0.18 -1.99 0.08 0.00 -0.50 0.00 0.00 54.79 52.21 2wr8 n ASP 179 Cb 0.51 -0.74 0.36 0.00 -1.14 0.00 0.00 41.12 40.11 2wr8 n ASP 179 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2wr8 n ASP 180 N -3.13 0.22 0.05 -1.12 8.00 -1.26 -1.25 116.55 118.06 2wr8 n ASP 180 Ca 0.17 0.56 0.12 0.00 0.71 0.00 0.00 54.79 56.35 2wr8 n ASP 180 Cb 0.59 -0.60 0.30 0.00 -0.02 0.00 0.00 41.12 41.39 2wr8 n ASP 180 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2wr8 n PHE 181 N -1.75 0.45 -0.75 1.24 3.72 -1.26 -4.92 117.46 114.19 2wr8 n PHE 181 Ca 0.03 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2wr8 n PHE 181 Cb 0.18 -0.61 0.00 0.00 -0.94 0.00 0.00 39.48 38.11 2wr8 n PHE 181 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wr8 n GLY 182 N 1.39 0.59 3.77 1.37 0.00 -0.38 -3.92 105.19 108.00 2wr8 n GLY 182 Ca 0.05 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 2wr8 n GLY 182 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wr8 s ASN 183 N -2.30 6.65 -0.19 1.61 0.01 -1.26 -0.75 114.94 118.72 2wr8 s ASN 183 Ca 0.00 2.31 -0.01 0.00 -0.71 0.00 0.00 52.86 54.45 2wr8 s ASN 183 Cb 0.00 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.05 2wr8 s ASN 183 CO 0.00 -0.58 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.19 2wr8 s VAL 184 N -1.41 2.73 -0.21 1.60 1.01 -0.02 -1.96 120.40 122.14 2wr8 s VAL 184 Ca 0.55 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 2wr8 s VAL 184 Cb -0.30 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2wr8 s VAL 184 CO 0.38 0.49 0.06 -0.63 0.00 0.00 0.00 175.10 175.40 2wr8 s ILE 185 N 1.19 4.54 0.04 2.22 1.09 0.17 -0.51 121.20 129.93 2wr8 s ILE 185 Ca 0.02 -0.11 0.04 0.00 -1.10 0.00 0.00 60.65 59.50 2wr8 s ILE 185 Cb -0.14 -3.08 -0.04 0.00 -1.06 0.00 0.00 42.46 38.14 2wr8 s ILE 185 CO -0.05 0.40 -0.06 -0.76 -0.10 0.00 0.00 174.94 174.37 2wr8 s LEU 186 N 0.96 3.21 0.00 2.97 1.43 -0.02 -1.06 118.68 126.17 2wr8 s LEU 186 Ca 0.04 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 52.90 2wr8 s LEU 186 Cb -0.14 -1.89 -0.20 0.00 0.03 0.00 0.00 46.19 43.99 2wr8 s LEU 186 CO 0.03 0.24 3.04 -0.46 0.23 0.00 0.00 176.35 179.43 2wr8 n ASN 187 N 1.22 4.73 -4.40 2.29 6.94 -0.61 -3.02 115.26 122.42 2wr8 n ASN 187 Ca -0.14 -2.36 -0.36 0.00 -0.02 0.00 0.00 54.58 51.70 2wr8 n ASN 187 Cb 0.52 -1.23 -0.13 0.00 -2.36 0.00 0.00 39.78 36.58 2wr8 n ASN 187 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2wr8 s LEU 188 N 0.00 3.23 0.25 -4.53 2.96 -1.26 -4.38 118.68 114.95 2wr8 s LEU 188 Ca 0.49 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 2wr8 s LEU 188 Cb 0.23 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 2wr8 s LEU 188 CO 0.00 -0.01 -0.00 -1.83 -1.32 0.00 0.00 176.35 173.18 2wr8 s GLU 189 N 1.47 1.40 -1.41 1.98 -1.05 -1.26 -2.54 118.70 117.30 2wr8 s GLU 189 Ca 0.05 -1.72 -0.07 0.00 -0.15 0.00 0.00 54.97 53.09 2wr8 s GLU 189 Cb -0.15 -0.71 0.04 0.00 -0.44 0.00 0.00 34.13 32.88 2wr8 s GLU 189 CO 0.01 -0.09 0.88 0.09 0.95 0.00 0.00 175.26 177.10 2wr8 n ASN 190 N -0.47 -3.25 -4.60 0.83 4.13 -1.26 -4.99 115.26 105.65 2wr8 n ASN 190 Ca -0.05 -0.77 -0.31 0.00 1.68 0.00 0.00 54.58 55.14 2wr8 n ASN 190 Cb 0.64 -4.12 -0.10 0.00 -1.54 0.00 0.00 39.78 34.67 2wr8 n ASN 190 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2wr8 s TYR 191 N -3.47 2.85 0.16 3.10 1.13 -1.26 -5.09 117.35 114.77 2wr8 s TYR 191 Ca 0.34 -0.08 -0.31 0.00 -1.41 0.00 0.00 57.07 55.61 2wr8 s TYR 191 Cb -0.17 -1.53 -0.08 0.00 -1.10 0.00 0.00 41.96 39.08 2wr8 s TYR 191 CO 0.81 0.41 1.35 -1.83 -2.51 0.00 0.00 175.55 173.78 2wr8 s GLU 192 N -1.84 4.35 0.10 -3.49 -1.05 -1.26 -4.93 118.70 110.58 2wr8 s GLU 192 Ca 0.20 2.07 -0.33 0.00 -0.15 0.00 0.00 54.97 56.77 2wr8 s GLU 192 Cb -0.11 -3.22 -0.12 0.00 -0.44 0.00 0.00 34.13 30.24 2wr8 s GLU 192 CO 0.11 -0.35 1.76 1.63 0.95 0.00 0.00 175.26 179.36 2wr8 n LYS 193 N 3.31 2.49 -2.32 -4.83 5.02 -1.26 -4.99 118.16 115.57 2wr8 n LYS 193 Ca 0.09 0.90 -0.26 0.00 -2.02 0.00 0.00 58.31 57.03 2wr8 n LYS 193 Cb 0.42 -2.75 0.12 0.00 -0.02 0.00 0.00 35.03 32.81 2wr8 n LYS 193 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2wr8 s PRO 194 N 2.34 1.45 -0.02 1.97 0.04 -1.26 -5.01 135.00 134.51 2wr8 s PRO 194 Ca 0.83 -0.76 0.19 0.00 0.04 0.00 0.00 61.00 61.30 2wr8 s PRO 194 Cb -0.58 -2.16 -0.20 0.00 0.04 0.00 0.00 34.50 31.60 2wr8 s PRO 194 CO 0.40 -1.70 0.57 0.54 0.04 0.00 0.00 177.00 176.85 2wr8 n ARG 195 N -3.13 0.65 -3.90 4.56 1.74 -0.40 -4.70 116.66 111.49 2wr8 n ARG 195 Ca 0.14 0.07 -0.11 0.00 -0.77 0.00 0.00 57.85 57.18 2wr8 n ARG 195 Cb 0.60 -1.67 -0.11 0.00 -1.02 0.00 0.00 32.46 30.26 2wr8 n ARG 195 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wr8 s THR 196 N -2.98 0.07 -0.16 0.55 2.01 -0.75 -1.88 115.64 112.50 2wr8 s THR 196 Ca -0.06 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 2wr8 s THR 196 Cb 0.09 -0.28 0.04 0.00 0.01 0.00 0.00 72.50 72.36 2wr8 s THR 196 CO 0.84 -0.31 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.72 2wr8 s VAL 197 N -0.99 1.08 -0.19 3.82 1.01 -0.09 -1.25 120.40 123.79 2wr8 s VAL 197 Ca -0.11 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 2wr8 s VAL 197 Cb -0.06 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2wr8 s VAL 197 CO 0.00 0.15 0.42 -1.61 0.00 0.00 0.00 175.10 174.06 2wr8 s GLU 198 N 1.65 4.19 -0.78 2.72 2.02 0.54 -0.59 118.70 128.45 2wr8 s GLU 198 Ca 0.01 0.24 -0.18 0.00 0.02 0.00 0.00 54.97 55.07 2wr8 s GLU 198 Cb -0.15 -3.53 0.14 0.00 0.10 0.00 0.00 34.13 30.69 2wr8 s GLU 198 CO -0.08 -0.03 0.87 -0.51 0.02 0.00 0.00 175.26 175.53 2wr8 s LEU 199 N 1.29 5.64 0.38 1.80 1.43 -0.44 -1.26 118.68 127.51 2wr8 s LEU 199 Ca 0.20 -1.99 0.07 0.00 -1.03 0.00 0.00 54.13 51.38 2wr8 s LEU 199 Cb -0.15 -2.31 0.75 0.00 0.03 0.00 0.00 46.19 44.51 2wr8 s LEU 199 CO 0.08 -0.95 1.96 -0.07 0.23 0.00 0.00 176.35 177.60 2wr8 h LEU 200 N 9.54 0.41 -0.09 1.79 3.38 -1.55 -1.90 115.31 126.89 2wr8 h LEU 200 Ca -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2wr8 h LEU 200 Cb 1.05 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2wr8 h LEU 200 CO 1.01 0.43 0.00 0.47 0.09 0.00 0.00 178.44 180.43 2wr8 n ASP 201 N -4.36 0.12 0.00 -0.43 8.00 -1.26 -4.00 116.55 114.62 2wr8 n ASP 201 Ca 0.01 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.04 2wr8 n ASP 201 Cb 0.18 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 2wr8 n ASP 201 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2wr8 n PHE 202 N -1.63 0.00 -1.57 1.24 3.01 -0.72 -5.01 117.46 112.78 2wr8 n PHE 202 Ca 0.04 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.39 2wr8 n PHE 202 Cb 0.22 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.65 2wr8 n PHE 202 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2wr8 n ASN 203 N -0.15 -4.05 -4.43 4.37 4.13 -1.17 -5.01 115.26 108.95 2wr8 n ASN 203 Ca 0.00 0.18 -0.33 0.00 1.68 0.00 0.00 54.58 56.11 2wr8 n ASN 203 Cb 0.05 -2.72 -0.14 0.00 -1.54 0.00 0.00 39.78 35.44 2wr8 n ASN 203 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2wr8 s LEU 204 N -2.60 2.82 -0.33 3.41 1.43 -1.22 -5.06 118.68 117.14 2wr8 s LEU 204 Ca 0.00 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2wr8 s LEU 204 Cb 0.00 -1.63 0.08 0.00 0.03 0.00 0.00 46.19 44.67 2wr8 s LEU 204 CO 0.00 0.22 0.04 -0.60 0.23 0.00 0.00 176.35 176.24 2wr8 s ARG 205 N 0.01 2.03 -0.08 1.70 3.52 -1.26 -1.33 118.95 123.54 2wr8 s ARG 205 Ca -0.03 -1.58 -0.08 0.00 -0.13 0.00 0.00 55.73 53.91 2wr8 s ARG 205 Cb -0.14 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 2wr8 s ARG 205 CO 0.04 -0.80 0.20 -0.51 -0.81 0.00 0.00 175.30 173.42 2wr8 s LEU 206 N 1.10 4.40 0.30 -0.88 1.43 0.24 -4.91 118.68 120.37 2wr8 s LEU 206 Ca 0.02 0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 53.37 2wr8 s LEU 206 Cb -0.20 -2.26 -0.10 0.00 0.03 0.00 0.00 46.19 43.65 2wr8 s LEU 206 CO -0.04 0.37 1.18 -2.16 0.23 0.00 0.00 176.35 175.92 2wr8 s PRO 207 N -1.19 4.52 -0.29 1.29 0.04 -1.26 -0.91 135.00 137.20 2wr8 s PRO 207 Ca 0.19 1.97 -0.16 0.00 0.04 0.00 0.00 61.00 63.03 2wr8 s PRO 207 Cb -0.13 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 2wr8 s PRO 207 CO 0.08 0.05 0.44 -0.47 0.04 0.00 0.00 177.00 177.14 2wr8 s TYR 208 N -1.16 3.23 0.09 0.56 5.04 -0.79 -1.81 117.35 122.51 2wr8 s TYR 208 Ca 0.46 0.37 -0.01 0.00 -2.44 0.00 0.00 57.07 55.45 2wr8 s TYR 208 Cb -0.35 -2.71 -0.04 0.00 0.35 0.00 0.00 41.96 39.21 2wr8 s TYR 208 CO 0.46 -0.34 0.01 -0.51 -1.34 0.00 0.00 175.55 173.83 2wr8 s LEU 209 N 2.21 2.15 0.15 6.97 1.43 0.36 -4.83 118.68 127.11 2wr8 s LEU 209 Ca 0.17 -1.08 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 2wr8 s LEU 209 Cb -0.16 0.27 -0.07 0.00 0.03 0.00 0.00 46.19 46.27 2wr8 s LEU 209 CO 0.11 -0.66 1.34 -0.33 0.23 0.00 0.00 176.35 177.04 2wr8 h GLU 210 N 3.01 0.14 -4.08 1.70 4.39 -1.97 -3.37 114.58 114.41 2wr8 h GLU 210 Ca -0.34 -0.17 -0.14 0.00 0.34 0.00 0.00 59.36 59.04 2wr8 h GLU 210 Cb 1.17 0.06 -0.18 0.00 -0.10 0.00 0.00 28.75 29.69 2wr8 h GLU 210 CO 0.63 0.97 -0.68 0.95 -1.16 0.00 0.00 179.01 179.72 2wr8 s THR 211 N -3.04 0.16 0.22 1.13 -4.23 -1.26 -4.75 115.64 103.87 2wr8 s THR 211 Ca -0.02 -1.31 -0.08 0.00 -1.18 0.00 0.00 61.69 59.10 2wr8 s THR 211 Cb 0.10 -0.86 0.17 0.00 1.34 0.00 0.00 72.50 73.25 2wr8 s THR 211 CO 0.83 -0.73 1.83 1.88 -0.54 0.00 0.00 174.62 177.90 2wr8 h TYR 212 N 3.91 0.83 0.00 3.99 0.05 -1.97 -2.59 116.97 121.20 2wr8 h TYR 212 Ca -0.33 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.48 2wr8 h TYR 212 Cb 1.18 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.65 2wr8 h TYR 212 CO 0.59 0.43 0.00 0.41 -1.05 0.00 0.00 178.16 178.54 2wr8 n GLY 213 N -1.30 -0.54 0.47 3.88 0.00 -1.26 -2.67 105.19 103.77 2wr8 n GLY 213 Ca 0.10 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.21 2wr8 n GLY 213 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wr8 n LEU 214 N -0.71 1.46 -4.47 0.99 4.77 -0.98 -4.85 117.00 113.21 2wr8 n LEU 214 Ca 0.05 -0.51 -0.23 0.00 -0.03 0.00 0.00 56.01 55.30 2wr8 n LEU 214 Cb 0.03 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 2wr8 n LEU 214 CO 0.04 0.25 -0.34 0.68 -1.33 0.00 0.00 177.39 176.69 2wr8 s VAL 215 N -1.97 1.69 0.75 4.08 -7.23 -1.09 -5.10 120.40 111.53 2wr8 s VAL 215 Ca 0.38 -2.10 -0.14 0.00 -1.81 0.00 0.00 61.98 58.31 2wr8 s VAL 215 Cb 0.21 -2.61 0.05 0.00 0.56 0.00 0.00 36.38 34.58 2wr8 s VAL 215 CO 0.33 -0.19 1.17 -1.61 -0.31 0.00 0.00 175.10 174.49 2wr8 s GLU 216 N -3.74 2.10 0.23 4.82 0.41 -1.26 -4.93 118.70 116.33 2wr8 s GLU 216 Ca 0.32 1.62 -0.31 0.00 -0.41 0.00 0.00 54.97 56.19 2wr8 s GLU 216 Cb 0.05 -1.84 -0.11 0.00 -1.78 0.00 0.00 34.13 30.45 2wr8 s GLU 216 CO 0.14 -1.83 1.62 0.15 -0.49 0.00 0.00 175.26 174.85 2wr8 s LYS 217 N -4.13 4.16 0.00 1.61 1.02 -1.26 -1.99 119.74 119.15 2wr8 s LYS 217 Ca 0.71 2.51 0.00 0.00 0.02 0.00 0.00 55.97 59.21 2wr8 s LYS 217 Cb -0.26 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 2wr8 s LYS 217 CO 0.47 -0.65 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 2wr8 n GLY 218 N 3.21 1.62 3.85 -3.33 0.00 0.06 -5.00 105.19 105.61 2wr8 n GLY 218 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2wr8 n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr8 s GLU 219 N -0.74 3.97 0.02 1.61 0.41 -0.84 -4.77 118.70 118.36 2wr8 s GLU 219 Ca 0.00 0.62 -0.10 0.00 -0.41 0.00 0.00 54.97 55.08 2wr8 s GLU 219 Cb 0.00 -2.45 -0.05 0.00 -1.78 0.00 0.00 34.13 29.85 2wr8 s GLU 219 CO 0.00 0.16 0.34 1.41 -0.49 0.00 0.00 175.26 176.68 2wr8 s MET 220 N -3.01 3.72 0.21 1.61 -2.45 -1.26 -0.91 119.30 117.21 2wr8 s MET 220 Ca 0.53 0.14 -0.02 0.00 -1.25 0.00 0.00 55.69 55.09 2wr8 s MET 220 Cb -0.10 -3.10 -0.04 0.00 1.25 0.00 0.00 34.83 32.84 2wr8 s MET 220 CO 0.18 0.65 0.17 -0.48 1.05 0.00 0.00 175.02 176.59 2wr8 s LEU 221 N -1.54 1.10 0.04 4.11 2.34 0.46 -4.53 118.68 120.67 2wr8 s LEU 221 Ca 0.27 -1.36 0.07 0.00 0.06 0.00 0.00 54.13 53.17 2wr8 s LEU 221 Cb -0.14 0.51 -0.03 0.00 -0.56 0.00 0.00 46.19 45.96 2wr8 s LEU 221 CO 0.15 -0.87 -0.18 0.00 -1.06 0.00 0.00 176.35 174.38 2wr8 s ALA 222 N -4.12 2.60 0.13 1.48 0.00 -0.75 -1.01 121.76 120.09 2wr8 s ALA 222 Ca 0.38 -1.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 2wr8 s ALA 222 Cb 0.06 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.46 2wr8 s ALA 222 CO 0.12 0.57 0.32 -0.48 0.00 0.00 0.00 175.76 176.29 2wr8 s LEU 223 N -1.47 0.83 0.39 0.00 0.05 0.01 -0.49 118.68 118.01 2wr8 s LEU 223 Ca 0.15 -0.55 0.11 0.00 0.05 0.00 0.00 54.13 53.88 2wr8 s LEU 223 Cb -0.10 1.47 0.80 0.00 -2.05 0.00 0.00 46.19 46.30 2wr8 s LEU 223 CO 0.05 -0.84 1.91 1.55 -0.55 0.00 0.00 176.35 178.48 2wr8 h PRO 224 N 2.52 0.17 0.00 1.48 0.13 -1.86 -0.93 132.00 133.51 2wr8 h PRO 224 Ca -0.33 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2wr8 h PRO 224 Cb 1.23 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wr8 h PRO 224 CO 0.49 0.35 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 2wr8 n GLY 225 N -0.82 0.95 0.00 1.56 0.00 -1.26 -4.30 105.19 101.32 2wr8 n GLY 225 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2wr8 n GLY 225 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr8 n SER 226 N -2.78 1.62 -0.12 1.61 3.41 -1.26 -4.74 113.62 111.37 2wr8 n SER 226 Ca 0.00 -1.76 0.07 0.00 -0.26 0.00 0.00 58.87 56.92 2wr8 n SER 226 Cb 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.05 2wr8 n SER 226 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wr8 n HIS 227 N -0.38 0.00 -1.53 7.33 8.25 -1.26 -4.98 115.22 122.65 2wr8 n HIS 227 Ca 0.00 -0.77 -0.16 0.00 -0.26 0.00 0.00 57.72 56.52 2wr8 n HIS 227 Cb 0.26 -0.12 -0.07 0.00 1.12 0.00 0.00 29.99 31.18 2wr8 n HIS 227 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2wr8 n ASP 228 N -1.08 -4.98 0.00 0.41 8.00 -1.26 -4.98 116.55 112.66 2wr8 n ASP 228 Ca 0.11 0.38 0.00 0.00 0.71 0.00 0.00 54.79 56.00 2wr8 n ASP 228 Cb 0.59 -3.94 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 2wr8 n ASP 228 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wr8 n TYR 229 N -2.61 0.00 -5.00 1.24 4.01 -1.26 -4.26 117.16 109.28 2wr8 n TYR 229 Ca -0.17 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.25 2wr8 n TYR 229 Cb 0.55 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.42 2wr8 n TYR 229 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2wr8 s LEU 230 N 0.00 2.41 -0.08 7.72 2.96 -1.05 -4.78 118.68 125.86 2wr8 s LEU 230 Ca 0.00 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 2wr8 s LEU 230 Cb 0.00 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 2wr8 s LEU 230 CO 0.00 0.17 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.36 2wr8 s GLU 231 N 0.30 2.89 -0.12 1.98 2.12 -0.36 -0.84 118.70 124.66 2wr8 s GLU 231 Ca -0.14 -0.71 -0.01 0.00 0.36 0.00 0.00 54.97 54.48 2wr8 s GLU 231 Cb -0.17 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 31.73 2wr8 s GLU 231 CO 0.07 0.43 -0.09 0.42 -0.54 0.00 0.00 175.26 175.55 2wr8 s ILE 232 N -0.22 3.41 0.03 -3.70 -1.09 0.33 -0.81 121.20 119.16 2wr8 s ILE 232 Ca 0.01 -0.54 -0.07 0.00 -2.23 0.00 0.00 60.65 57.81 2wr8 s ILE 232 Cb -0.13 -2.44 -0.00 0.00 -1.58 0.00 0.00 42.46 38.30 2wr8 s ILE 232 CO 0.03 0.53 0.13 0.00 -1.23 0.00 0.00 174.94 174.40 2wr8 s ALA 233 N 0.12 -0.19 -0.17 9.38 0.00 -0.18 -0.84 121.76 129.88 2wr8 s ALA 233 Ca -0.04 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 51.46 2wr8 s ALA 233 Cb -0.14 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2wr8 s ALA 233 CO 0.04 -0.32 -0.01 0.08 0.00 0.00 0.00 175.76 175.55 2wr8 s VAL 234 N -2.45 4.10 -0.05 0.00 1.01 -1.26 -0.40 120.40 121.34 2wr8 s VAL 234 Ca -0.06 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 2wr8 s VAL 234 Cb -0.02 -2.82 -0.06 0.00 0.00 0.00 0.00 36.38 33.48 2wr8 s VAL 234 CO -0.04 0.47 1.80 0.21 0.00 0.00 0.00 175.10 177.55 2wr8 s ASN 235 N 0.49 6.46 -2.07 3.32 2.47 -0.08 -1.48 114.94 124.05 2wr8 s ASN 235 Ca -0.02 2.29 0.00 0.00 0.42 0.00 0.00 52.86 55.56 2wr8 s ASN 235 Cb -0.14 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 2wr8 s ASN 235 CO 0.02 -1.09 0.00 0.23 -3.72 0.00 0.00 177.10 172.54 2wr8 n MET 236 N 7.46 -1.51 -0.92 0.43 2.81 -1.26 -0.76 117.12 123.36 2wr8 n MET 236 Ca 0.19 1.16 0.00 0.00 -1.81 0.00 0.00 57.70 57.24 2wr8 n MET 236 Cb 0.43 -5.60 0.00 0.00 -0.71 0.00 0.00 33.22 27.34 2wr8 n MET 236 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wr8 n GLY 237 N -0.52 4.68 3.11 3.03 0.00 -0.55 -4.87 105.19 110.07 2wr8 n GLY 237 Ca -0.21 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 2wr8 n GLY 237 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr8 s SER 238 N 0.08 4.81 0.25 1.61 0.15 -1.25 -4.23 113.70 115.11 2wr8 s SER 238 Ca 0.00 -1.60 -0.05 0.00 0.70 0.00 0.00 55.95 54.99 2wr8 s SER 238 Cb 0.00 -1.67 0.31 0.00 -1.71 0.00 0.00 66.02 62.95 2wr8 s SER 238 CO 0.00 -0.31 1.89 0.00 1.20 0.00 0.00 173.24 176.02 2wr8 h ALA 239 N 7.87 1.24 -0.59 5.45 0.00 -1.74 -1.87 119.26 129.62 2wr8 h ALA 239 Ca -0.16 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2wr8 h ALA 239 Cb 1.05 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2wr8 h ALA 239 CO 0.54 0.45 0.31 0.00 0.00 0.00 0.00 179.25 180.55 2wr8 h ALA 240 N 1.39 0.77 -0.39 0.00 0.00 -1.27 -0.09 119.26 119.66 2wr8 h ALA 240 Ca 0.38 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.17 2wr8 h ALA 240 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2wr8 h ALA 240 CO -0.13 -0.02 -0.29 1.49 0.00 0.00 0.00 179.25 180.30 2wr8 h GLU 241 N 0.60 0.88 -0.36 0.00 4.81 -1.79 0.14 114.58 118.86 2wr8 h GLU 241 Ca 0.26 -0.43 -0.11 0.00 -0.13 0.00 0.00 59.36 58.95 2wr8 h GLU 241 Cb 0.15 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2wr8 h GLU 241 CO -0.17 1.08 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.87 2wr8 h ARG 242 N 0.69 0.71 0.00 1.92 2.43 -0.94 -3.03 114.38 116.16 2wr8 h ARG 242 Ca 0.07 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2wr8 h ARG 242 Cb 0.87 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2wr8 h ARG 242 CO 0.08 0.88 -0.61 1.28 -1.51 0.00 0.00 179.97 180.09 2wr8 n LEU 243 N -4.11 0.63 -3.63 3.80 4.77 -0.08 -4.98 117.00 113.40 2wr8 n LEU 243 Ca 0.00 0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 55.93 2wr8 n LEU 243 Cb 0.43 -0.20 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2wr8 n LEU 243 CO 0.44 -0.01 -0.05 -3.20 -1.33 0.00 0.00 177.39 173.24 2wr8 n ASN 244 N -1.96 -2.88 -4.61 -1.43 5.15 0.45 -5.01 115.26 104.97 2wr8 n ASN 244 Ca 0.04 -0.85 -0.24 0.00 -0.60 0.00 0.00 54.58 52.93 2wr8 n ASN 244 Cb 0.41 -4.08 -0.08 0.00 -0.53 0.00 0.00 39.78 35.50 2wr8 n ASN 244 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2wr8 s VAL 245 N -3.58 3.28 0.13 3.44 -7.23 -0.86 -5.04 120.40 110.53 2wr8 s VAL 245 Ca 0.17 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 2wr8 s VAL 245 Cb -0.05 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 2wr8 s VAL 245 CO 0.81 -0.32 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.70 2wr8 s LYS 246 N -3.46 0.95 0.29 4.82 1.02 -1.26 -4.82 119.74 117.28 2wr8 s LYS 246 Ca 0.30 -1.41 -0.30 0.00 0.02 0.00 0.00 55.97 54.58 2wr8 s LYS 246 Cb -0.07 -0.26 -0.12 0.00 -0.52 0.00 0.00 37.83 36.86 2wr8 s LYS 246 CO 0.18 -0.05 1.44 0.28 -0.92 0.00 0.00 175.35 176.29 2wr8 n VAL 247 N -0.12 1.32 0.00 3.17 0.31 -1.26 -1.68 118.33 120.06 2wr8 n VAL 247 Ca -0.10 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 2wr8 n VAL 247 Cb 0.62 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 2wr8 n VAL 247 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wr8 n GLY 248 N 1.67 3.34 3.76 2.92 0.00 0.41 -5.00 105.19 112.29 2wr8 n GLY 248 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 2wr8 n GLY 248 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wr8 s ASP 249 N -0.90 5.56 -0.08 1.61 1.01 -0.68 -4.71 116.67 118.49 2wr8 s ASP 249 Ca 0.00 2.58 -0.00 0.00 0.71 0.00 0.00 52.55 55.84 2wr8 s ASP 249 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 2wr8 s ASP 249 CO 0.00 -1.36 -0.05 -1.61 0.21 0.00 0.00 175.17 172.36 2wr8 s GLU 250 N -2.87 2.92 0.01 8.23 2.02 -1.26 -0.82 118.70 126.92 2wr8 s GLU 250 Ca 0.69 -0.52 0.06 0.00 0.02 0.00 0.00 54.97 55.22 2wr8 s GLU 250 Cb -0.36 -2.67 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 2wr8 s GLU 250 CO 0.42 0.61 -0.19 -0.51 0.02 0.00 0.00 175.26 175.61 2wr8 s LEU 251 N -0.66 2.09 -0.11 1.80 1.43 0.12 -4.94 118.68 118.40 2wr8 s LEU 251 Ca 0.10 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.57 2wr8 s LEU 251 Cb -0.12 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.11 2wr8 s LEU 251 CO 0.02 0.20 0.67 -0.13 0.23 0.00 0.00 176.35 177.34 2wr8 s ARG 252 N -0.72 4.36 -0.02 1.70 0.52 -1.26 -1.07 118.95 122.46 2wr8 s ARG 252 Ca 0.07 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 56.07 2wr8 s ARG 252 Cb -0.08 -3.49 0.03 0.00 0.52 0.00 0.00 34.95 31.93 2wr8 s ARG 252 CO 0.00 -0.04 0.01 0.08 0.02 0.00 0.00 175.30 175.38 2wr8 s VAL 253 N 1.17 0.07 -0.06 3.52 1.01 -0.08 -1.59 120.40 124.45 2wr8 s VAL 253 Ca 0.34 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.52 2wr8 s VAL 253 Cb -0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 2wr8 s VAL 253 CO 0.15 0.11 -0.25 -0.60 0.00 0.00 0.00 175.10 174.51 2wr8 s ARG 254 N 0.99 2.57 -0.20 2.72 3.52 -0.39 -1.13 118.95 127.03 2wr8 s ARG 254 Ca -0.09 -0.90 -0.12 0.00 -0.13 0.00 0.00 55.73 54.49 2wr8 s ARG 254 Cb -0.13 -2.17 -0.05 0.00 -1.56 0.00 0.00 34.95 31.05 2wr8 s ARG 254 CO -0.02 0.37 0.20 -0.51 -0.81 0.00 0.00 175.30 174.52 2wr8 s LEU 255 N -0.14 4.20 0.00 -0.88 1.02 -1.26 -0.34 118.68 121.29 2wr8 s LEU 255 Ca -0.04 0.31 0.00 0.00 0.02 0.00 0.00 54.13 54.41 2wr8 s LEU 255 Cb -0.14 -2.20 0.00 0.00 0.02 0.00 0.00 46.19 43.87 2wr8 s LEU 255 CO 0.04 0.12 0.39 0.18 0.02 0.00 0.00 176.35 177.11