#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxx s ILE 3 N 0.00 4.46 -0.17 0.55 -1.09 -0.38 -4.17 121.20 120.40 1wxx s ILE 3 Ca 0.00 -0.14 -0.02 0.00 -2.23 0.00 0.00 60.65 58.25 1wxx s ILE 3 Cb 0.00 -3.02 -0.02 0.00 -1.58 0.00 0.00 42.46 37.84 1wxx s ILE 3 CO 0.00 0.43 -0.07 -1.10 -1.23 0.00 0.00 174.94 172.97 1wxx s GLN 4 N 0.72 3.48 0.26 2.79 -1.52 0.09 0.25 119.66 125.73 1wxx s GLN 4 Ca 0.02 -0.61 0.09 0.00 -1.95 0.00 0.00 55.36 52.91 1wxx s GLN 4 Cb -0.14 -2.84 -0.04 0.00 -0.22 0.00 0.00 33.01 29.77 1wxx s GLN 4 CO 0.02 0.10 0.03 0.14 -0.25 0.00 0.00 175.29 175.33 1wxx s VAL 5 N 0.70 3.62 0.67 1.09 -7.23 -0.51 -0.02 120.40 118.72 1wxx s VAL 5 Ca -0.04 -1.82 -0.09 0.00 -1.81 0.00 0.00 61.98 58.23 1wxx s VAL 5 Cb -0.15 -2.94 0.15 0.00 0.56 0.00 0.00 36.38 34.00 1wxx s VAL 5 CO 0.02 -0.37 0.91 -0.46 -0.31 0.00 0.00 175.10 174.89 1wxx n ASN 6 N -0.94 0.36 -0.33 4.85 0.23 -0.52 -4.55 115.26 114.36 1wxx n ASN 6 Ca -0.07 -1.50 0.00 0.00 -0.53 0.00 0.00 54.58 52.48 1wxx n ASN 6 Cb 0.59 -0.67 0.14 0.00 -2.08 0.00 0.00 39.78 37.75 1wxx n ASN 6 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wxx h ALA 7 N -1.46 1.21 -0.18 -2.53 0.00 -1.99 -1.00 119.26 113.31 1wxx h ALA 7 Ca -0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1wxx h ALA 7 Cb 0.89 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1wxx h ALA 7 CO 0.24 0.36 0.06 0.87 0.00 0.00 0.00 179.25 180.77 1wxx h LYS 8 N 1.06 0.28 -0.94 0.00 1.57 -1.93 -1.10 116.57 115.50 1wxx h LYS 8 Ca 0.38 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1wxx h LYS 8 Cb 0.11 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 1wxx h LYS 8 CO -0.15 0.39 0.62 0.78 -0.57 0.00 0.00 179.45 180.52 1wxx h GLY 9 N 0.11 1.32 0.99 3.86 0.00 -1.74 -1.96 103.07 105.65 1wxx h GLY 9 Ca 0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1wxx h GLY 9 CO -0.00 0.48 0.23 0.00 0.00 0.00 0.00 176.54 177.25 1wxx h ALA 10 N 1.42 0.74 -0.13 3.60 0.00 -0.95 -2.31 119.26 121.64 1wxx h ALA 10 Ca 0.35 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1wxx h ALA 10 Cb -0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1wxx h ALA 10 CO -0.08 0.35 -0.17 0.00 0.00 0.00 0.00 179.25 179.35 1wxx h ALA 11 N 1.08 1.48 -0.18 0.00 0.00 -0.63 -0.01 119.26 121.00 1wxx h ALA 11 Ca 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1wxx h ALA 11 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1wxx h ALA 11 CO -0.02 0.37 -0.01 0.00 0.00 0.00 0.00 179.25 179.59 1wxx h ARG 12 N 0.20 0.32 -0.35 0.00 3.08 -0.96 -2.03 114.38 114.64 1wxx h ARG 12 Ca 0.04 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1wxx h ARG 12 Cb 0.42 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1wxx h ARG 12 CO 0.03 0.55 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.23 1wxx h LEU 13 N 0.06 0.65 -1.36 3.04 3.38 -1.08 -2.02 115.31 117.99 1wxx h LEU 13 Ca 0.05 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1wxx h LEU 13 Cb 0.42 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1wxx h LEU 13 CO 0.01 0.84 -0.28 -0.07 0.09 0.00 0.00 178.44 179.03 1wxx h LEU 14 N 0.59 0.00 -0.31 1.67 3.38 -0.93 -0.76 115.31 118.95 1wxx h LEU 14 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1wxx h LEU 14 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1wxx h LEU 14 CO 0.04 0.28 -0.04 -1.54 0.09 0.00 0.00 178.44 177.28 1wxx n SER 15 N -3.75 0.52 -0.66 -0.43 3.41 -0.77 -4.92 113.62 107.02 1wxx n SER 15 Ca -0.01 -0.91 -0.06 0.00 -0.26 0.00 0.00 58.87 57.62 1wxx n SER 15 Cb 0.38 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 1wxx n SER 15 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wxx n ARG 16 N -0.73 -0.48 -2.74 4.33 5.12 -0.29 -4.88 116.66 117.00 1wxx n ARG 16 Ca 0.19 0.35 -0.32 0.00 -1.93 0.00 0.00 57.85 56.14 1wxx n ARG 16 Cb 0.24 -4.18 -0.04 0.00 -1.16 0.00 0.00 32.46 27.31 1wxx n ARG 16 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1wxx s HIS 17 N -2.29 3.42 -2.27 -1.55 5.65 -0.79 -4.51 115.29 112.94 1wxx s HIS 17 Ca 0.00 1.31 0.24 0.00 0.25 0.00 0.00 55.06 56.86 1wxx s HIS 17 Cb 0.00 -2.64 0.32 0.00 -1.18 0.00 0.00 32.58 29.08 1wxx s HIS 17 CO 0.00 -0.17 1.30 1.28 -0.65 0.00 0.00 174.74 176.51 1wxx n LEU 18 N -1.14 2.01 -4.53 8.88 4.77 -1.26 -4.32 117.00 121.40 1wxx n LEU 18 Ca 0.05 -0.69 -0.33 0.00 -0.03 0.00 0.00 56.01 55.01 1wxx n LEU 18 Cb 0.54 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 1wxx n LEU 18 CO 0.45 0.36 -0.41 0.26 -1.33 0.00 0.00 177.39 176.71 1wxx s TRP 19 N -2.31 2.82 -0.06 -1.77 0.51 -1.26 -0.10 118.94 116.77 1wxx s TRP 19 Ca 0.24 -0.07 -0.00 0.00 -2.12 0.00 0.00 56.10 54.15 1wxx s TRP 19 Cb 0.19 -1.67 0.03 0.00 -0.81 0.00 0.00 33.47 31.21 1wxx s TRP 19 CO 0.47 0.26 -0.02 0.08 -0.51 0.00 0.00 176.95 177.23 1wxx s VAL 20 N -0.78 0.47 0.47 4.03 1.01 -0.80 -4.82 120.40 119.99 1wxx s VAL 20 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 1wxx s VAL 20 Cb -0.11 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 1wxx s VAL 20 CO 0.01 0.25 0.83 -0.36 0.00 0.00 0.00 175.10 175.83 1wxx s PHE 21 N 1.53 3.53 0.44 5.22 0.40 -1.26 -1.46 117.98 126.37 1wxx s PHE 21 Ca -0.01 1.01 0.26 0.00 -0.60 0.00 0.00 56.93 57.59 1wxx s PHE 21 Cb -0.13 -2.45 1.29 0.00 0.51 0.00 0.00 43.02 42.24 1wxx s PHE 21 CO -0.03 -0.27 1.72 -0.09 0.70 0.00 0.00 175.22 177.25 1wxx h ARG 22 N 0.61 0.22 -0.00 0.44 2.43 -0.72 0.17 114.38 117.53 1wxx h ARG 22 Ca -0.47 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1wxx h ARG 22 Cb 1.19 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1wxx h ARG 22 CO 0.63 0.15 0.00 0.07 -1.51 0.00 0.00 179.97 179.30 1wxx h ARG 23 N 0.23 0.00 -0.70 0.20 0.11 -1.93 -2.34 114.38 109.95 1wxx h ARG 23 Ca 0.67 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.75 1wxx h ARG 23 Cb 2.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.10 1wxx h ARG 23 CO -0.29 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.53 1wxx n ASP 24 N -4.28 4.29 -4.61 0.08 8.00 0.61 -4.88 116.55 115.77 1wxx n ASP 24 Ca -0.03 -2.19 -0.38 0.00 0.71 0.00 0.00 54.79 52.91 1wxx n ASP 24 Cb 0.09 -0.52 -0.11 0.00 -0.02 0.00 0.00 41.12 40.56 1wxx n ASP 24 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wxx s VAL 25 N -1.35 5.32 0.03 2.53 1.01 -0.88 -1.44 120.40 125.61 1wxx s VAL 25 Ca 0.50 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.49 1wxx s VAL 25 Cb 0.28 -3.53 -0.33 0.00 0.00 0.00 0.00 36.38 32.80 1wxx s VAL 25 CO 0.30 0.27 1.02 0.58 0.00 0.00 0.00 175.10 177.26 1wxx h VAL 26 N 5.30 1.31 -2.54 2.92 2.07 -0.74 -3.48 116.25 121.08 1wxx h VAL 26 Ca -0.36 -2.61 -0.01 0.00 0.82 0.00 0.00 66.70 64.55 1wxx h VAL 26 Cb 1.19 2.97 -0.15 0.00 -1.52 0.00 0.00 31.29 33.77 1wxx h VAL 26 CO 0.57 0.78 0.26 -0.94 0.02 0.00 0.00 177.57 178.26 1wxx s SER 27 N -7.47 -0.56 0.17 0.57 1.04 -1.06 -5.00 113.70 101.39 1wxx s SER 27 Ca -0.10 0.23 -0.24 0.00 0.48 0.00 0.00 55.95 56.32 1wxx s SER 27 Cb 0.04 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.77 1wxx s SER 27 CO 0.93 -0.79 1.01 -0.83 0.98 0.00 0.00 173.24 174.54 1wxx s GLY 28 N -2.18 -0.05 0.92 7.32 0.00 -1.26 -0.73 107.32 111.34 1wxx s GLY 28 Ca -0.02 -0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.48 1wxx s GLY 28 CO -0.05 1.17 0.82 -1.05 0.00 0.00 0.00 173.10 174.00 1wxx n PRO 29 N -0.59 -0.35 0.22 2.90 -0.02 -1.26 -4.94 135.00 130.96 1wxx n PRO 29 Ca -0.05 -0.05 0.11 0.00 -2.02 0.00 0.00 63.50 61.50 1wxx n PRO 29 Cb 0.60 -2.15 0.22 0.00 -0.02 0.00 0.00 33.50 32.15 1wxx n PRO 29 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1wxx h GLU 30 N -1.69 0.00 -5.37 -0.52 4.39 -2.01 -3.44 114.58 105.94 1wxx h GLU 30 Ca -0.43 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 58.86 1wxx h GLU 30 Cb 1.28 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.77 1wxx h GLU 30 CO 0.38 0.07 -0.74 0.95 -1.16 0.00 0.00 179.01 178.51 1wxx s THR 31 N -3.24 1.40 0.74 1.13 -4.23 -1.26 -4.87 115.64 105.31 1wxx s THR 31 Ca 0.06 -1.94 -0.15 0.00 -1.18 0.00 0.00 61.69 58.48 1wxx s THR 31 Cb 0.06 -1.76 0.04 0.00 1.34 0.00 0.00 72.50 72.18 1wxx s THR 31 CO 0.66 -0.55 1.20 -2.84 -0.54 0.00 0.00 174.62 172.55 1wxx s PRO 32 N -3.22 2.12 0.00 3.99 0.02 -1.26 -4.74 135.00 131.91 1wxx s PRO 32 Ca 0.15 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1wxx s PRO 32 Cb -0.02 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1wxx s PRO 32 CO 0.03 -1.84 0.00 0.41 -0.33 0.00 0.00 177.00 175.27 1wxx n GLY 33 N 0.31 -0.92 3.38 0.52 0.00 -0.45 -4.92 105.19 103.11 1wxx n GLY 33 Ca 0.13 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 1wxx n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wxx s LEU 34 N 0.00 3.13 0.06 0.99 1.43 -1.26 -0.10 118.68 122.93 1wxx s LEU 34 Ca 0.00 -0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1wxx s LEU 34 Cb 0.00 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 1wxx s LEU 34 CO 0.00 -0.01 0.11 -0.31 0.23 0.00 0.00 176.35 176.36 1wxx s TYR 35 N 1.47 0.23 0.50 0.29 2.02 -0.65 -4.95 117.35 116.26 1wxx s TYR 35 Ca 0.05 -0.62 -0.18 0.00 -0.37 0.00 0.00 57.07 55.96 1wxx s TYR 35 Cb -0.15 -0.15 -0.08 0.00 -0.40 0.00 0.00 41.96 41.18 1wxx s TYR 35 CO -0.00 -0.43 0.99 -1.25 -1.57 0.00 0.00 175.55 173.29 1wxx s PRO 36 N -3.24 3.95 -0.11 -1.71 0.04 -1.26 -1.19 135.00 131.47 1wxx s PRO 36 Ca 0.00 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.12 1wxx s PRO 36 Cb 0.02 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1wxx s PRO 36 CO -0.08 -0.28 -0.12 0.08 0.04 0.00 0.00 177.00 176.65 1wxx s VAL 37 N -2.41 3.16 0.11 -0.36 1.01 0.27 -1.25 120.40 120.93 1wxx s VAL 37 Ca 0.61 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.02 1wxx s VAL 37 Cb -0.11 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1wxx s VAL 37 CO 0.25 0.54 -0.17 -0.31 0.00 0.00 0.00 175.10 175.42 1wxx s TYR 38 N 0.01 1.56 -0.35 5.22 1.51 0.14 -0.36 117.35 125.08 1wxx s TYR 38 Ca -0.04 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.56 1wxx s TYR 38 Cb -0.14 -0.83 0.10 0.00 -0.11 0.00 0.00 41.96 40.98 1wxx s TYR 38 CO 0.04 0.18 0.08 -0.46 -1.11 0.00 0.00 175.55 174.28 1wxx s TRP 39 N -1.66 3.64 0.00 2.71 -0.00 -0.32 -1.42 118.94 121.89 1wxx s TRP 39 Ca 0.07 -2.71 0.00 0.00 -0.00 0.00 0.00 56.10 53.46 1wxx s TRP 39 Cb -0.08 -2.87 0.00 0.00 -0.00 0.00 0.00 33.47 30.52 1wxx s TRP 39 CO 0.04 -0.94 0.00 0.41 -0.00 0.00 0.00 176.95 176.46 1wxx n GLY 40 N 4.39 2.08 1.08 5.86 0.00 -1.26 -1.61 105.19 115.72 1wxx n GLY 40 Ca -0.00 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.75 1wxx n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wxx n ARG 41 N 13.00 2.41 -3.17 1.61 1.74 -1.26 -4.91 116.66 126.09 1wxx n ARG 41 Ca 0.00 -2.14 -0.41 0.00 -0.77 0.00 0.00 57.85 54.54 1wxx n ARG 41 Cb 0.00 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.87 1wxx n ARG 41 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1wxx s ARG 42 N -1.52 4.00 0.27 5.56 3.52 -0.64 -5.04 118.95 125.10 1wxx s ARG 42 Ca 0.38 0.33 -0.30 0.00 -0.13 0.00 0.00 55.73 56.02 1wxx s ARG 42 Cb 0.22 -3.69 -0.10 0.00 -1.56 0.00 0.00 34.95 29.82 1wxx s ARG 42 CO 0.31 -0.45 1.45 0.12 -0.81 0.00 0.00 175.30 175.91 1wxx s PHE 43 N 2.45 2.97 -0.04 5.12 5.36 -1.26 -1.17 117.98 131.40 1wxx s PHE 43 Ca 0.23 1.05 -0.01 0.00 -0.96 0.00 0.00 56.93 57.24 1wxx s PHE 43 Cb -0.15 -3.84 -0.02 0.00 -0.34 0.00 0.00 43.02 38.66 1wxx s PHE 43 CO 0.10 -2.71 -0.05 1.28 -1.46 0.00 0.00 175.22 172.39 1wxx n LEU 44 N 2.06 1.67 -3.77 6.12 4.77 0.51 -4.90 117.00 123.46 1wxx n LEU 44 Ca 0.06 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1wxx n LEU 44 Cb 0.40 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1wxx n LEU 44 CO 0.61 0.34 0.98 0.00 -1.33 0.00 0.00 177.39 177.99 1wxx s ALA 45 N -2.08 -2.10 -0.08 -1.18 0.00 -1.12 -4.58 121.76 110.62 1wxx s ALA 45 Ca -0.06 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.15 1wxx s ALA 45 Cb 0.02 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1wxx s ALA 45 CO 0.09 -1.08 0.06 -0.51 0.00 0.00 0.00 175.76 174.32 1wxx s LEU 46 N -3.25 3.88 0.13 0.00 1.43 0.04 0.95 118.68 121.87 1wxx s LEU 46 Ca 0.19 0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 1wxx s LEU 46 Cb 0.01 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.26 1wxx s LEU 46 CO -0.01 0.37 0.32 0.00 0.23 0.00 0.00 176.35 177.26 1wxx s ALA 47 N -0.99 -0.51 0.00 4.21 0.00 -0.34 -1.34 121.76 122.80 1wxx s ALA 47 Ca 0.16 -0.43 -0.22 0.00 0.00 0.00 0.00 51.96 51.47 1wxx s ALA 47 Cb -0.12 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 1wxx s ALA 47 CO 0.05 -0.62 0.66 -0.51 0.00 0.00 0.00 175.76 175.34 1wxx s LEU 48 N -2.86 4.41 0.05 0.00 1.02 -0.02 -1.63 118.68 119.65 1wxx s LEU 48 Ca 0.07 1.25 0.05 0.00 0.02 0.00 0.00 54.13 55.52 1wxx s LEU 48 Cb 0.03 -3.04 -0.02 0.00 0.02 0.00 0.00 46.19 43.18 1wxx s LEU 48 CO -0.08 0.05 -0.15 -0.47 0.02 0.00 0.00 176.35 175.72 1wxx s TYR 49 N -0.01 1.27 -0.15 0.29 5.04 0.86 -1.59 117.35 123.05 1wxx s TYR 49 Ca 0.34 -0.38 -0.04 0.00 -2.44 0.00 0.00 57.07 54.55 1wxx s TYR 49 Cb -0.19 -0.74 0.07 0.00 0.35 0.00 0.00 41.96 41.45 1wxx s TYR 49 CO 0.19 0.05 0.21 1.21 -1.34 0.00 0.00 175.55 175.87 1wxx s ASN 50 N -1.29 1.00 0.00 4.32 3.84 -0.90 -1.33 114.94 120.59 1wxx s ASN 50 Ca 0.01 0.10 0.22 0.00 0.21 0.00 0.00 52.86 53.40 1wxx s ASN 50 Cb -0.08 0.41 1.25 0.00 -0.55 0.00 0.00 41.25 42.27 1wxx s ASN 50 CO 0.02 -0.29 1.69 -0.81 -2.79 0.00 0.00 177.10 174.92 1wxx n PRO 51 N 5.33 0.58 -0.07 0.43 -0.04 -1.26 -3.33 135.00 136.63 1wxx n PRO 51 Ca -0.05 0.03 0.04 0.00 -0.04 0.00 0.00 63.50 63.47 1wxx n PRO 51 Cb 0.50 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.53 1wxx n PRO 51 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1wxx n HIS 52 N -1.08 0.20 -4.42 0.54 8.25 -1.26 -5.04 115.22 112.40 1wxx n HIS 52 Ca 0.15 -0.29 -0.24 0.00 -0.26 0.00 0.00 57.72 57.07 1wxx n HIS 52 Cb 0.10 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.10 1wxx n HIS 52 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1wxx s THR 53 N -0.86 2.68 0.13 1.59 -4.23 -1.21 -4.99 115.64 108.75 1wxx s THR 53 Ca 0.14 -2.23 -0.14 0.00 -1.18 0.00 0.00 61.69 58.28 1wxx s THR 53 Cb 0.08 -2.39 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 1wxx s THR 53 CO 0.11 -0.34 1.57 -0.78 -0.54 0.00 0.00 174.62 174.63 1wxx h ASP 54 N 2.36 0.77 -2.46 3.99 3.58 -1.92 -3.28 116.42 119.47 1wxx h ASP 54 Ca -0.42 -0.33 -0.73 0.00 0.42 0.00 0.00 57.03 55.97 1wxx h ASP 54 Cb 1.25 -0.21 -0.19 0.00 1.72 0.00 0.00 39.33 41.90 1wxx h ASP 54 CO 0.58 0.92 1.04 -0.22 -2.88 0.00 0.00 179.24 178.68 1wxx s LEU 55 N -9.35 5.26 0.10 2.28 2.96 -1.26 -0.09 118.68 118.58 1wxx s LEU 55 Ca -0.13 -2.73 -0.13 0.00 -0.22 0.00 0.00 54.13 50.93 1wxx s LEU 55 Cb 0.11 -2.37 -0.15 0.00 0.50 0.00 0.00 46.19 44.27 1wxx s LEU 55 CO 0.81 -0.80 1.31 0.00 -1.32 0.00 0.00 176.35 176.35 1wxx h ALA 56 N 7.69 0.31 -3.23 5.97 0.00 -1.61 -3.45 119.26 124.94 1wxx h ALA 56 Ca 0.24 -0.60 -0.67 0.00 0.00 0.00 0.00 54.91 53.88 1wxx h ALA 56 Cb 0.93 -0.02 -0.32 0.00 0.00 0.00 0.00 17.79 18.39 1wxx h ALA 56 CO 1.15 0.68 -0.84 0.08 0.00 0.00 0.00 179.25 180.33 1wxx s VAL 57 N -3.77 2.39 -0.31 0.00 1.01 -0.54 -2.11 120.40 117.07 1wxx s VAL 57 Ca -0.10 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1wxx s VAL 57 Cb 0.09 -1.98 0.09 0.00 0.00 0.00 0.00 36.38 34.58 1wxx s VAL 57 CO 0.91 0.53 0.06 -0.13 0.00 0.00 0.00 175.10 176.47 1wxx s ARG 58 N 0.70 1.13 0.41 2.72 0.52 -0.62 -1.90 118.95 121.91 1wxx s ARG 58 Ca -0.09 -1.35 -0.24 0.00 -0.52 0.00 0.00 55.73 53.54 1wxx s ARG 58 Cb -0.16 -2.53 -0.09 0.00 0.52 0.00 0.00 34.95 32.69 1wxx s ARG 58 CO 0.01 -0.91 1.09 0.00 0.02 0.00 0.00 175.30 175.51 1wxx s ALA 59 N 1.32 3.08 0.00 2.13 0.00 0.85 -0.84 121.76 128.31 1wxx s ALA 59 Ca 0.08 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1wxx s ALA 59 Cb -0.18 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1wxx s ALA 59 CO -0.16 -0.33 0.06 2.48 0.00 0.00 0.00 175.76 177.81 1wxx n TYR 60 N -0.10 0.00 -3.65 0.00 0.18 -0.45 -4.73 117.16 108.42 1wxx n TYR 60 Ca 0.05 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.69 1wxx n TYR 60 Cb 0.49 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.37 1wxx n TYR 60 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 1wxx s ARG 61 N -0.34 0.77 -0.35 -3.48 3.52 -1.20 -4.90 118.95 112.97 1wxx s ARG 61 Ca 0.00 0.73 0.07 0.00 -0.13 0.00 0.00 55.73 56.40 1wxx s ARG 61 Cb 0.00 0.37 0.51 0.00 -1.56 0.00 0.00 34.95 34.27 1wxx s ARG 61 CO 0.00 -0.12 1.54 1.19 -0.81 0.00 0.00 175.30 177.09 1wxx n PHE 62 N 2.42 1.80 -3.86 5.12 3.72 -1.26 -0.78 117.46 124.63 1wxx n PHE 62 Ca -0.15 -1.91 -0.11 0.00 -0.05 0.00 0.00 57.45 55.23 1wxx n PHE 62 Cb 0.56 -0.63 -0.11 0.00 -0.94 0.00 0.00 39.48 38.36 1wxx n PHE 62 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wxx s ALA 63 N -3.39 -0.34 0.77 4.37 0.00 -1.26 -4.82 121.76 117.09 1wxx s ALA 63 Ca 0.49 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 1wxx s ALA 63 Cb 0.43 0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.62 1wxx s ALA 63 CO 0.01 -0.17 1.09 -1.25 0.00 0.00 0.00 175.76 175.44 1wxx s PRO 64 N -1.01 2.26 -0.22 0.00 0.04 -1.26 -4.61 135.00 130.20 1wxx s PRO 64 Ca -0.11 1.12 -0.16 0.00 0.04 0.00 0.00 61.00 61.89 1wxx s PRO 64 Cb -0.06 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.64 1wxx s PRO 64 CO 0.01 -1.63 0.55 0.00 0.04 0.00 0.00 177.00 175.98 1wxx s ALA 65 N -2.92 -1.42 0.16 8.56 0.00 -1.26 -5.05 121.76 119.82 1wxx s ALA 65 Ca 0.61 1.78 -0.16 0.00 0.00 0.00 0.00 51.96 54.19 1wxx s ALA 65 Cb -0.17 -1.05 0.10 0.00 0.00 0.00 0.00 23.12 22.00 1wxx s ALA 65 CO 0.56 -0.29 1.72 1.49 0.00 0.00 0.00 175.76 179.23 1wxx h GLU 66 N 6.17 0.16 -4.54 0.00 4.81 -2.04 -3.36 114.58 115.78 1wxx h GLU 66 Ca -0.31 -0.01 -0.69 0.00 -0.13 0.00 0.00 59.36 58.22 1wxx h GLU 66 Cb 1.19 -0.04 -0.34 0.00 0.63 0.00 0.00 28.75 30.20 1wxx h GLU 66 CO 0.19 0.11 -0.57 0.34 -0.73 0.00 0.00 179.01 178.35 1wxx s ASP 67 N -5.29 5.23 0.33 1.04 -1.08 -1.26 -4.98 116.67 110.66 1wxx s ASP 67 Ca -0.13 -1.84 0.01 0.00 -0.52 0.00 0.00 52.55 50.07 1wxx s ASP 67 Cb 0.13 -1.82 0.58 0.00 -1.46 0.00 0.00 42.92 40.35 1wxx s ASP 67 CO 0.71 -0.49 1.98 -0.65 0.52 0.00 0.00 175.17 177.24 1wxx h PRO 68 N 8.07 0.92 -0.40 4.34 0.11 -1.93 -0.99 132.00 142.12 1wxx h PRO 68 Ca -0.15 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.82 1wxx h PRO 68 Cb 1.05 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1wxx h PRO 68 CO 0.67 0.61 -0.06 0.28 -0.21 0.00 0.00 178.00 179.29 1wxx h VAL 69 N 0.95 1.27 -0.66 3.15 2.07 -1.93 -1.64 116.25 119.46 1wxx h VAL 69 Ca 0.28 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1wxx h VAL 69 Cb -0.02 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1wxx h VAL 69 CO -0.07 0.38 0.28 0.00 0.02 0.00 0.00 177.57 178.17 1wxx h ALA 70 N 0.86 1.24 -0.54 1.67 0.00 -1.87 -1.50 119.26 119.12 1wxx h ALA 70 Ca 0.11 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1wxx h ALA 70 Cb 0.56 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1wxx h ALA 70 CO 0.03 0.56 0.06 0.00 0.00 0.00 0.00 179.25 179.91 1wxx h ALA 71 N 1.35 0.72 -0.30 0.00 0.00 -0.95 -1.20 119.26 118.88 1wxx h ALA 71 Ca 0.22 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1wxx h ALA 71 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1wxx h ALA 71 CO -0.02 0.48 0.03 1.25 0.00 0.00 0.00 179.25 180.99 1wxx h LEU 72 N 0.79 0.49 -1.68 0.00 5.85 -0.92 -2.02 115.31 117.82 1wxx h LEU 72 Ca 0.16 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1wxx h LEU 72 Cb 0.44 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1wxx h LEU 72 CO 0.02 0.65 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.64 1wxx h LEU 73 N 0.31 0.00 -0.20 2.25 3.38 -1.20 -1.66 115.31 118.19 1wxx h LEU 73 Ca 0.09 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1wxx h LEU 73 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1wxx h LEU 73 CO 0.01 0.06 -0.53 -0.08 0.09 0.00 0.00 178.44 177.99 1wxx h GLU 74 N 0.00 0.72 -0.58 1.13 4.81 -0.85 -1.53 114.58 118.28 1wxx h GLU 74 Ca -0.00 -0.50 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1wxx h GLU 74 Cb 0.46 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1wxx h GLU 74 CO 0.01 1.12 0.31 -0.91 -0.73 0.00 0.00 179.01 178.81 1wxx h ASN 75 N 0.43 0.71 -0.23 1.04 4.21 -0.60 -1.47 115.58 119.68 1wxx h ASN 75 Ca -0.01 -0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.42 1wxx h ASN 75 Cb 1.15 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 38.16 1wxx h ASN 75 CO 0.11 0.58 0.05 0.25 -1.29 0.00 0.00 177.43 177.13 1wxx h LEU 76 N 0.80 0.35 -1.13 1.61 5.85 -1.10 -1.61 115.31 120.09 1wxx h LEU 76 Ca 0.21 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1wxx h LEU 76 Cb 0.03 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1wxx h LEU 76 CO -0.03 0.51 0.59 0.00 -0.34 0.00 0.00 178.44 179.17 1wxx h ALA 77 N 0.86 1.45 -0.16 1.25 0.00 -0.75 -1.63 119.26 120.28 1wxx h ALA 77 Ca 0.07 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1wxx h ALA 77 Cb 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1wxx h ALA 77 CO 0.00 0.45 -0.54 1.96 0.00 0.00 0.00 179.25 181.13 1wxx h GLN 78 N 1.10 0.48 -0.39 0.00 4.20 -1.09 -1.36 115.11 118.05 1wxx h GLN 78 Ca 0.37 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 1wxx h GLN 78 Cb 0.07 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1wxx h GLN 78 CO -0.12 0.89 -0.00 0.00 -0.67 0.00 0.00 178.83 178.93 1wxx h ALA 79 N 1.05 0.53 -0.53 3.87 0.00 -0.71 -2.71 119.26 120.77 1wxx h ALA 79 Ca 0.01 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1wxx h ALA 79 Cb 1.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1wxx h ALA 79 CO 0.10 0.31 0.01 -0.07 0.00 0.00 0.00 179.25 179.59 1wxx h LEU 80 N 0.52 0.85 -1.89 0.00 3.38 -1.25 -2.51 115.31 114.41 1wxx h LEU 80 Ca 0.11 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1wxx h LEU 80 Cb 0.48 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1wxx h LEU 80 CO 0.02 0.91 0.11 0.00 0.09 0.00 0.00 178.44 179.57 1wxx h ALA 81 N 1.18 1.97 0.00 1.53 0.00 -1.02 -0.96 119.26 121.97 1wxx h ALA 81 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wxx h ALA 81 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1wxx h ALA 81 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1wxx h ARG 82 N 0.14 0.00 -0.01 0.00 3.08 -1.13 -2.84 114.38 113.62 1wxx h ARG 82 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1wxx h ARG 82 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1wxx h ARG 82 CO -0.01 0.00 -0.19 0.54 -1.07 0.00 0.00 179.97 179.24 1wxx n ARG 83 N -2.45 1.56 -0.29 0.04 3.00 -0.39 -4.65 116.66 113.48 1wxx n ARG 83 Ca 0.02 -0.93 0.02 0.00 -0.01 0.00 0.00 57.85 56.94 1wxx n ARG 83 Cb 0.24 -1.22 0.15 0.00 0.00 0.00 0.00 32.46 31.63 1wxx n ARG 83 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1wxx h GLU 84 N 1.93 0.79 -0.16 5.56 5.08 -1.22 -1.51 114.58 125.07 1wxx h GLU 84 Ca 0.00 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1wxx h GLU 84 Cb 0.50 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1wxx h GLU 84 CO 0.00 0.53 0.08 0.00 -1.00 0.00 0.00 179.01 178.62 1wxx h ALA 85 N 1.43 0.20 -0.22 3.43 0.00 -1.83 -0.73 119.26 121.55 1wxx h ALA 85 Ca 0.38 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 1wxx h ALA 85 Cb 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wxx h ALA 85 CO -0.22 -0.26 -0.42 -0.39 0.00 0.00 0.00 179.25 177.96 1wxx h VAL 86 N 0.15 1.30 -0.18 0.00 -1.51 -1.83 -2.38 116.25 111.80 1wxx h VAL 86 Ca 0.05 -1.58 -0.09 0.00 -1.23 0.00 0.00 66.70 63.85 1wxx h VAL 86 Cb 0.08 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.82 1wxx h VAL 86 CO -0.01 0.49 -0.29 -0.07 -1.23 0.00 0.00 177.57 176.46 1wxx h LEU 87 N 0.42 0.35 -0.43 4.19 3.38 -1.14 0.20 115.31 122.28 1wxx h LEU 87 Ca 0.03 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1wxx h LEU 87 Cb 0.91 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1wxx h LEU 87 CO 0.08 0.63 -0.23 -0.09 0.09 0.00 0.00 178.44 178.92 1wxx h ARG 88 N 0.30 0.91 0.00 1.13 2.43 -0.90 -2.85 114.38 115.40 1wxx h ARG 88 Ca 0.04 -0.41 -0.14 0.00 -0.81 0.00 0.00 59.98 58.67 1wxx h ARG 88 Cb 0.67 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1wxx h ARG 88 CO 0.05 1.06 -1.13 -0.56 -1.51 0.00 0.00 179.97 177.88 1wxx h GLN 89 N 0.74 0.00 -2.07 0.20 3.07 -1.28 -3.41 115.11 112.36 1wxx h GLN 89 Ca 0.09 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.28 1wxx h GLN 89 Cb 0.80 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 27.96 1wxx h GLN 89 CO 0.07 0.32 -0.98 -3.47 0.09 0.00 0.00 178.83 174.85 1wxx n ASP 90 N -2.96 1.57 0.12 0.06 2.03 0.68 -4.96 116.55 113.09 1wxx n ASP 90 Ca -0.06 -3.05 0.13 0.00 0.52 0.00 0.00 54.79 52.34 1wxx n ASP 90 Cb 0.79 -0.63 0.65 0.00 -0.72 0.00 0.00 41.12 41.21 1wxx n ASP 90 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1wxx h PRO 91 N 3.62 0.03 -0.49 -0.67 0.11 -1.70 -2.10 132.00 130.79 1wxx h PRO 91 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1wxx h PRO 91 Cb 0.82 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1wxx h PRO 91 CO 0.59 0.02 0.00 -1.91 -0.21 0.00 0.00 178.00 176.49 1wxx n GLU 92 N -4.46 2.20 -1.74 1.05 2.13 -1.26 -3.63 120.64 114.92 1wxx n GLU 92 Ca 0.03 -1.72 -0.20 0.00 0.66 0.00 0.00 57.16 55.94 1wxx n GLU 92 Cb 0.33 -1.41 0.12 0.00 0.27 0.00 0.00 31.44 30.75 1wxx n GLU 92 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wxx n GLY 93 N 1.18 -0.38 3.06 8.31 0.00 -0.79 -1.35 105.19 115.22 1wxx n GLY 93 Ca 0.16 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 1wxx n GLY 93 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wxx s GLY 94 N -4.80 1.31 0.03 -0.02 0.00 -1.26 -1.18 107.32 101.40 1wxx s GLY 94 Ca 0.53 -1.17 0.01 0.00 0.00 0.00 0.00 44.72 44.08 1wxx s GLY 94 CO 0.36 0.46 -0.04 -0.19 0.00 0.00 0.00 173.10 173.69 1wxx s TYR 95 N 1.35 0.42 -0.15 1.90 1.51 -0.37 -4.99 117.35 117.02 1wxx s TYR 95 Ca 0.03 -0.59 -0.19 0.00 -1.01 0.00 0.00 57.07 55.30 1wxx s TYR 95 Cb -0.14 -0.28 -0.03 0.00 -0.11 0.00 0.00 41.96 41.39 1wxx s TYR 95 CO -0.11 -0.18 0.54 0.50 -1.11 0.00 0.00 175.55 175.20 1wxx s ARG 96 N -1.84 4.28 -0.03 -0.62 3.52 -1.26 0.61 118.95 123.61 1wxx s ARG 96 Ca -0.11 0.51 0.13 0.00 -0.13 0.00 0.00 55.73 56.14 1wxx s ARG 96 Cb -0.08 -3.50 -0.22 0.00 -1.56 0.00 0.00 34.95 29.59 1wxx s ARG 96 CO -0.02 -0.03 0.67 1.28 -0.81 0.00 0.00 175.30 176.40 1wxx n LEU 97 N 4.31 0.85 -3.72 -0.88 4.77 0.11 -4.79 117.00 117.65 1wxx n LEU 97 Ca -0.05 0.40 -0.17 0.00 -0.03 0.00 0.00 56.01 56.16 1wxx n LEU 97 Cb 0.51 0.17 -0.17 0.00 -2.33 0.00 0.00 43.42 41.60 1wxx n LEU 97 CO 0.43 0.36 -0.33 -0.69 -1.33 0.00 0.00 177.39 175.84 1wxx s VAL 98 N -2.64 -0.10 -0.58 4.08 1.01 -0.96 -4.32 120.40 116.90 1wxx s VAL 98 Ca -0.05 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.29 1wxx s VAL 98 Cb 0.08 -0.14 0.37 0.00 0.00 0.00 0.00 36.38 36.69 1wxx s VAL 98 CO 0.82 0.13 1.18 1.57 0.00 0.00 0.00 175.10 178.80 1wxx n HIS 99 N 4.75 3.60 0.00 5.22 -0.00 -1.26 -1.55 115.22 125.98 1wxx n HIS 99 Ca -0.15 -3.37 0.00 0.00 0.46 0.00 0.00 57.72 54.66 1wxx n HIS 99 Cb 0.50 -0.42 0.00 0.00 -0.12 0.00 0.00 29.99 29.95 1wxx n HIS 99 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wxx n ALA 100 N -0.36 0.00 -0.33 1.57 0.00 0.37 -1.67 120.51 120.09 1wxx n ALA 100 Ca 0.38 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.97 1wxx n ALA 100 Cb 0.48 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.29 1wxx n ALA 100 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wxx h GLU 101 N 0.00 0.53 -0.34 0.00 3.07 -1.86 0.00 114.58 115.99 1wxx h GLU 101 Ca 0.00 -0.03 0.10 0.00 -0.50 0.00 0.00 59.36 58.93 1wxx h GLU 101 Cb 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 1wxx h GLU 101 CO 0.00 0.35 0.29 0.78 -1.40 0.00 0.00 179.01 179.04 1wxx h GLY 102 N 0.55 0.00 -2.13 -3.84 0.00 -1.53 0.13 103.07 96.25 1wxx h GLY 102 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 1wxx h GLY 102 CO -0.48 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.28 1wxx n ASP 103 N -4.10 4.20 -3.73 0.19 8.00 -0.15 -4.76 116.55 116.21 1wxx n ASP 103 Ca 0.05 -2.73 -0.27 0.00 0.71 0.00 0.00 54.79 52.55 1wxx n ASP 103 Cb 0.46 -0.52 0.05 0.00 -0.02 0.00 0.00 41.12 41.09 1wxx n ASP 103 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wxx n LEU 104 N 0.14 -2.89 -3.14 0.64 4.77 0.44 -4.87 117.00 112.09 1wxx n LEU 104 Ca 0.22 -0.64 -0.21 0.00 -0.03 0.00 0.00 56.01 55.34 1wxx n LEU 104 Cb 0.87 -2.77 -0.04 0.00 -2.33 0.00 0.00 43.42 39.15 1wxx n LEU 104 CO 0.19 0.53 -0.13 0.18 -1.33 0.00 0.00 177.39 176.82 1wxx n LEU 105 N -4.78 1.78 -4.58 2.23 4.77 -0.40 -4.76 117.00 111.26 1wxx n LEU 105 Ca 0.02 -5.16 -0.47 0.00 -0.03 0.00 0.00 56.01 50.37 1wxx n LEU 105 Cb 0.54 0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.95 1wxx n LEU 105 CO 0.69 2.28 0.64 -2.65 -1.33 0.00 0.00 177.39 177.02 1wxx n PRO 106 N 0.28 1.23 -0.99 3.23 -0.02 -1.25 -2.18 135.00 135.29 1wxx n PRO 106 Ca 0.26 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1wxx n PRO 106 Cb 0.57 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1wxx n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wxx n GLY 107 N 1.71 0.60 2.91 -1.23 0.00 -1.26 -4.85 105.19 103.07 1wxx n GLY 107 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1wxx n GLY 107 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wxx s LEU 108 N 0.00 1.45 -0.01 0.99 2.96 -0.93 -0.60 118.68 122.54 1wxx s LEU 108 Ca 0.00 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1wxx s LEU 108 Cb 0.00 -0.44 -0.00 0.00 0.50 0.00 0.00 46.19 46.24 1wxx s LEU 108 CO 0.00 -0.03 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.23 1wxx s VAL 109 N 0.73 0.64 -0.04 1.68 1.01 -0.78 -0.48 120.40 123.17 1wxx s VAL 109 Ca -0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1wxx s VAL 109 Cb -0.13 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.72 1wxx s VAL 109 CO 0.00 0.19 0.04 -0.69 0.00 0.00 0.00 175.10 174.65 1wxx s VAL 110 N 0.01 -0.01 0.11 2.92 1.01 -0.59 -1.33 120.40 122.52 1wxx s VAL 110 Ca 0.00 0.29 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1wxx s VAL 110 Cb -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1wxx s VAL 110 CO -0.00 0.16 -0.07 -1.81 0.00 0.00 0.00 175.10 173.37 1wxx s ASP 111 N 1.67 4.55 -0.17 3.32 1.11 -0.54 0.07 116.67 126.69 1wxx s ASP 111 Ca -0.01 -0.35 0.01 0.00 0.18 0.00 0.00 52.55 52.38 1wxx s ASP 111 Cb -0.13 -0.92 0.01 0.00 1.07 0.00 0.00 42.92 42.96 1wxx s ASP 111 CO -0.03 0.17 -0.19 -0.47 1.18 0.00 0.00 175.17 175.82 1wxx s TYR 112 N -1.30 2.76 -0.37 4.23 6.14 0.20 -0.62 117.35 128.39 1wxx s TYR 112 Ca 0.23 -1.46 0.03 0.00 0.64 0.00 0.00 57.07 56.51 1wxx s TYR 112 Cb -0.11 -1.90 0.11 0.00 0.42 0.00 0.00 41.96 40.48 1wxx s TYR 112 CO 0.15 -0.70 0.11 0.71 0.64 0.00 0.00 175.55 176.45 1wxx s TYR 113 N 1.11 3.20 -1.37 4.97 2.02 0.14 -1.23 117.35 126.18 1wxx s TYR 113 Ca 0.00 -2.78 -0.13 0.00 -0.37 0.00 0.00 57.07 53.79 1wxx s TYR 113 Cb -0.14 -2.64 0.01 0.00 -0.40 0.00 0.00 41.96 38.79 1wxx s TYR 113 CO -0.08 -0.89 0.39 0.00 -1.57 0.00 0.00 175.55 173.40 1wxx n ALA 114 N 4.11 -2.25 -0.13 3.71 0.00 -0.33 -1.35 120.51 124.28 1wxx n ALA 114 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1wxx n ALA 114 Cb 0.40 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1wxx n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wxx n GLY 115 N -2.21 0.96 3.20 0.00 0.00 -1.24 -4.89 105.19 101.01 1wxx n GLY 115 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1wxx n GLY 115 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wxx s HIS 116 N -2.50 3.05 0.12 1.61 3.76 -0.45 0.30 115.29 121.18 1wxx s HIS 116 Ca 0.00 -1.53 -0.11 0.00 -0.15 0.00 0.00 55.06 53.27 1wxx s HIS 116 Cb 0.00 -2.06 -0.06 0.00 1.11 0.00 0.00 32.58 31.57 1wxx s HIS 116 CO 0.00 -0.72 0.47 0.00 -0.85 0.00 0.00 174.74 173.63 1wxx s ALA 117 N 1.33 3.66 -0.15 -1.40 0.00 -0.39 -0.69 121.76 124.11 1wxx s ALA 117 Ca 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 1wxx s ALA 117 Cb -0.16 -2.37 0.03 0.00 0.00 0.00 0.00 23.12 20.62 1wxx s ALA 117 CO -0.05 0.52 -0.08 0.08 0.00 0.00 0.00 175.76 176.24 1wxx s VAL 118 N -1.47 1.23 -0.17 0.00 1.01 0.21 -0.70 120.40 120.52 1wxx s VAL 118 Ca 0.36 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 1wxx s VAL 118 Cb -0.14 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1wxx s VAL 118 CO 0.19 0.24 0.16 -0.69 0.00 0.00 0.00 175.10 175.00 1wxx s VAL 119 N 1.60 5.42 -0.15 2.92 1.01 0.90 -1.47 120.40 130.63 1wxx s VAL 119 Ca 0.02 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1wxx s VAL 119 Cb -0.14 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.81 1wxx s VAL 119 CO -0.08 0.49 -0.02 -1.10 0.00 0.00 0.00 175.10 174.39 1wxx s GLN 120 N -0.09 1.06 -0.01 2.72 -0.21 -0.44 -0.15 119.66 122.54 1wxx s GLN 120 Ca 0.11 -0.36 0.02 0.00 0.02 0.00 0.00 55.36 55.15 1wxx s GLN 120 Cb -0.12 -1.82 -0.03 0.00 1.00 0.00 0.00 33.01 32.04 1wxx s GLN 120 CO 0.01 -0.46 -0.03 0.00 -2.12 0.00 0.00 175.29 172.69 1wxx s ALA 121 N 1.76 3.16 0.00 6.09 0.00 -1.26 -1.86 121.76 129.64 1wxx s ALA 121 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1wxx s ALA 121 Cb -0.15 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.71 1wxx s ALA 121 CO -0.07 0.63 0.58 0.25 0.00 0.00 0.00 175.76 177.15 1wxx n THR 122 N 1.55 0.33 -4.96 0.00 -2.24 0.23 -4.87 114.28 104.31 1wxx n THR 122 Ca -0.15 -0.39 -0.27 0.00 -2.27 0.00 0.00 64.05 60.96 1wxx n THR 122 Cb 0.53 0.99 -0.16 0.00 -2.10 0.00 0.00 70.33 69.59 1wxx n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wxx s ALA 123 N -0.33 1.68 0.24 6.98 0.00 -1.24 -4.77 121.76 124.33 1wxx s ALA 123 Ca 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 1wxx s ALA 123 Cb 0.00 -0.50 0.43 0.00 0.00 0.00 0.00 23.12 23.05 1wxx s ALA 123 CO 0.00 0.35 1.65 1.25 0.00 0.00 0.00 175.76 179.00 1wxx h HIS 124 N 6.01 0.03 -0.69 0.00 2.76 -1.92 -2.19 115.15 119.15 1wxx h HIS 124 Ca -0.35 0.05 0.17 0.00 -2.20 0.00 0.00 60.37 58.05 1wxx h HIS 124 Cb 1.16 0.10 -0.04 0.00 1.55 0.00 0.00 27.41 30.19 1wxx h HIS 124 CO 0.42 -0.20 0.48 0.00 -1.30 0.00 0.00 177.93 177.33 1wxx h ALA 125 N 1.67 2.41 0.00 5.26 0.00 -1.88 -1.76 119.26 124.96 1wxx h ALA 125 Ca 0.41 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1wxx h ALA 125 Cb 0.71 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1wxx h ALA 125 CO -0.62 -0.61 -0.29 -1.49 0.00 0.00 0.00 179.25 176.24 1wxx h TRP 126 N 0.16 0.00 -0.20 0.00 4.06 -1.77 -3.24 115.95 114.96 1wxx h TRP 126 Ca 0.34 0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.32 1wxx h TRP 126 Cb 1.09 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.22 1wxx h TRP 126 CO -0.00 0.29 -0.02 1.49 -3.56 0.00 0.00 178.44 176.64 1wxx h GLU 127 N 0.00 0.04 0.00 0.49 4.57 -1.44 -1.57 114.58 116.66 1wxx h GLU 127 Ca -0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1wxx h GLU 127 Cb 0.69 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1wxx h GLU 127 CO 0.04 0.02 0.00 0.78 -1.18 0.00 0.00 179.01 178.67 1wxx h GLY 128 N 0.04 0.00 -2.05 1.92 0.00 -1.72 -2.99 103.07 98.26 1wxx h GLY 128 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1wxx h GLY 128 CO -0.18 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.40 1wxx n LEU 129 N -2.57 3.16 -0.31 3.11 4.77 -0.66 -4.56 117.00 119.94 1wxx n LEU 129 Ca 0.02 -1.24 0.08 0.00 -0.03 0.00 0.00 56.01 54.83 1wxx n LEU 129 Cb 0.27 -0.14 0.24 0.00 -2.33 0.00 0.00 43.42 41.46 1wxx n LEU 129 CO 0.23 0.62 1.12 -0.07 -1.33 0.00 0.00 177.39 177.96 1wxx h LEU 130 N 4.41 0.58 -0.97 2.23 3.38 -1.22 -0.68 115.31 123.04 1wxx h LEU 130 Ca 0.00 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1wxx h LEU 130 Cb 0.96 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1wxx h LEU 130 CO 0.00 0.24 0.37 -0.65 0.09 0.00 0.00 178.44 178.48 1wxx h PRO 131 N 0.65 1.10 -0.09 1.13 0.11 -1.85 -1.01 132.00 132.04 1wxx h PRO 131 Ca 0.48 -0.16 -0.10 0.00 0.11 0.00 0.00 66.00 66.33 1wxx h PRO 131 Cb 0.69 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1wxx h PRO 131 CO -0.37 0.85 -0.41 1.96 -0.21 0.00 0.00 178.00 179.83 1wxx h GLN 132 N 1.09 0.20 -0.32 1.05 7.50 -1.51 -1.44 115.11 121.69 1wxx h GLN 132 Ca 0.27 -0.10 -0.04 0.00 0.50 0.00 0.00 58.65 59.28 1wxx h GLN 132 Cb 0.11 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.63 1wxx h GLN 132 CO -0.03 0.58 0.02 0.28 -1.50 0.00 0.00 178.83 178.18 1wxx h VAL 133 N 0.17 1.25 -0.60 -0.54 2.07 -0.58 -1.39 116.25 116.63 1wxx h VAL 133 Ca 0.02 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.66 1wxx h VAL 133 Cb 0.80 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1wxx h VAL 133 CO 0.06 0.29 0.38 0.00 0.02 0.00 0.00 177.57 178.32 1wxx h ALA 134 N 0.86 0.76 -0.40 1.67 0.00 -0.90 -1.82 119.26 119.45 1wxx h ALA 134 Ca 0.09 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1wxx h ALA 134 Cb 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1wxx h ALA 134 CO 0.01 0.14 0.00 0.93 0.00 0.00 0.00 179.25 180.33 1wxx h GLU 135 N 0.75 0.63 -0.04 0.00 4.39 -1.10 -0.73 114.58 118.49 1wxx h GLU 135 Ca 0.23 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 1wxx h GLU 135 Cb -0.03 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1wxx h GLU 135 CO -0.08 0.65 -0.31 0.00 -1.16 0.00 0.00 179.01 178.11 1wxx h ALA 136 N 1.41 1.40 0.00 3.43 0.00 -0.64 -2.89 119.26 121.97 1wxx h ALA 136 Ca 0.12 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1wxx h ALA 136 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1wxx h ALA 136 CO 0.01 0.43 -0.77 -0.07 0.00 0.00 0.00 179.25 178.86 1wxx h LEU 137 N 0.07 0.00 -0.96 0.00 3.38 -0.66 -3.39 115.31 113.75 1wxx h LEU 137 Ca 0.01 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.22 1wxx h LEU 137 Cb 0.59 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.16 1wxx h LEU 137 CO 0.04 0.39 -0.05 -0.09 0.09 0.00 0.00 178.44 178.83 1wxx h ARG 138 N 0.00 0.02 0.00 1.13 2.43 -0.93 0.15 114.38 117.18 1wxx h ARG 138 Ca -0.05 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1wxx h ARG 138 Cb 1.34 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.89 1wxx h ARG 138 CO 0.04 0.01 -0.02 -1.35 -1.51 0.00 0.00 179.97 177.14 1wxx h PRO 139 N 0.02 0.00 0.00 0.20 0.11 -1.77 -3.11 132.00 127.44 1wxx h PRO 139 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 1wxx h PRO 139 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1wxx h PRO 139 CO -0.92 0.02 -1.09 0.72 -0.21 0.00 0.00 178.00 176.53 1wxx n HIS 140 N -3.27 0.00 -4.28 0.65 8.25 0.51 -5.05 115.22 112.03 1wxx n HIS 140 Ca -0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.29 1wxx n HIS 140 Cb 0.14 -0.10 -0.10 0.00 1.12 0.00 0.00 29.99 31.05 1wxx n HIS 140 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1wxx s VAL 141 N -2.84 0.38 -0.14 1.59 -7.23 -1.04 -4.86 120.40 106.26 1wxx s VAL 141 Ca 0.04 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.18 1wxx s VAL 141 Cb 0.13 -2.59 -0.24 0.00 0.56 0.00 0.00 36.38 34.24 1wxx s VAL 141 CO 0.75 0.00 0.29 1.67 -0.31 0.00 0.00 175.10 177.50 1wxx n GLN 142 N -0.42 0.73 -3.95 4.82 7.27 0.15 -4.83 117.38 121.14 1wxx n GLN 142 Ca 0.01 0.24 -0.09 0.00 0.07 0.00 0.00 57.00 57.22 1wxx n GLN 142 Cb 0.66 -1.68 -0.07 0.00 2.41 0.00 0.00 30.24 31.56 1wxx n GLN 142 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1wxx s SER 143 N -6.80 0.10 -0.04 1.69 1.04 -1.18 -4.40 113.70 104.12 1wxx s SER 143 Ca -0.22 -0.85 -0.00 0.00 0.48 0.00 0.00 55.95 55.36 1wxx s SER 143 Cb 0.07 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.61 1wxx s SER 143 CO 0.75 -0.82 0.02 -0.69 0.98 0.00 0.00 173.24 173.47 1wxx s VAL 144 N -3.94 0.13 -0.08 5.02 1.01 0.04 -1.27 120.40 121.30 1wxx s VAL 144 Ca 0.14 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1wxx s VAL 144 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 1wxx s VAL 144 CO -0.03 0.17 -0.11 -0.22 0.00 0.00 0.00 175.10 174.90 1wxx s LEU 145 N 1.41 2.90 -0.51 3.92 2.96 0.12 -0.24 118.68 129.24 1wxx s LEU 145 Ca -0.04 -0.17 -0.17 0.00 -0.22 0.00 0.00 54.13 53.53 1wxx s LEU 145 Cb -0.13 -1.63 0.09 0.00 0.50 0.00 0.00 46.19 45.03 1wxx s LEU 145 CO -0.03 0.29 0.50 0.00 -1.32 0.00 0.00 176.35 175.79 1wxx s ALA 146 N -0.40 3.54 -1.04 5.97 0.00 0.13 -0.07 121.76 129.90 1wxx s ALA 146 Ca 0.05 -2.19 -0.11 0.00 0.00 0.00 0.00 51.96 49.71 1wxx s ALA 146 Cb -0.12 -3.23 0.25 0.00 0.00 0.00 0.00 23.12 20.02 1wxx s ALA 146 CO 0.02 -1.93 1.05 0.21 0.00 0.00 0.00 175.76 175.11 1wxx s LYS 147 N 1.91 4.01 -0.66 0.00 2.20 0.79 -1.20 119.74 126.79 1wxx s LYS 147 Ca 0.06 -2.90 0.02 0.00 -0.36 0.00 0.00 55.97 52.80 1wxx s LYS 147 Cb -0.25 -4.58 0.37 0.00 -1.51 0.00 0.00 37.83 31.86 1wxx s LYS 147 CO 0.06 -1.32 1.45 0.09 -0.36 0.00 0.00 175.35 175.27 1wxx n ASN 148 N 3.46 5.85 -0.57 1.43 3.02 0.39 -4.34 115.26 124.51 1wxx n ASN 148 Ca 0.22 -3.75 0.06 0.00 -0.03 0.00 0.00 54.58 51.09 1wxx n ASN 148 Cb 0.42 -0.75 0.09 0.00 -0.61 0.00 0.00 39.78 38.93 1wxx n ASN 148 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1wxx n ASP 149 N -0.40 2.37 -4.73 6.41 3.85 -1.16 -1.04 116.55 121.85 1wxx n ASP 149 Ca 0.43 -1.68 -0.42 0.00 -0.71 0.00 0.00 54.79 52.41 1wxx n ASP 149 Cb 0.43 -0.09 -0.03 0.00 -1.35 0.00 0.00 41.12 40.09 1wxx n ASP 149 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1wxx s ALA 150 N -1.02 3.80 0.49 2.12 0.00 -1.26 -4.87 121.76 121.02 1wxx s ALA 150 Ca 0.18 1.49 0.41 0.00 0.00 0.00 0.00 51.96 54.04 1wxx s ALA 150 Cb 0.11 -3.64 2.14 0.00 0.00 0.00 0.00 23.12 21.73 1wxx s ALA 150 CO 0.16 -0.87 2.25 0.00 0.00 0.00 0.00 175.76 177.30 1wxx h ARG 151 N 6.06 0.00 0.00 0.00 2.47 -2.01 -1.82 114.38 119.08 1wxx h ARG 151 Ca -0.44 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.27 1wxx h ARG 151 Cb 1.21 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.53 1wxx h ARG 151 CO 0.88 0.00 -0.05 1.79 0.56 0.00 0.00 179.97 183.15 1wxx h THR 152 N 0.00 0.47 0.00 2.04 1.35 -1.98 -0.99 112.91 113.80 1wxx h THR 152 Ca 0.00 -0.22 -0.02 0.00 -0.55 0.00 0.00 66.41 65.62 1wxx h THR 152 Cb 0.10 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1wxx h THR 152 CO 0.00 0.05 -0.09 0.03 -0.25 0.00 0.00 175.52 175.25 1wxx h ARG 153 N 0.00 0.00 -0.10 4.72 3.08 -1.63 -2.24 114.38 118.22 1wxx h ARG 153 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1wxx h ARG 153 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1wxx h ARG 153 CO 0.01 0.09 -0.03 0.93 -1.07 0.00 0.00 179.97 179.90 1wxx h GLU 154 N 0.00 0.14 -0.43 0.04 5.08 -1.37 -1.49 114.58 116.55 1wxx h GLU 154 Ca -0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1wxx h GLU 154 Cb 0.22 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1wxx h GLU 154 CO 0.01 0.18 0.14 -0.07 -1.00 0.00 0.00 179.01 178.28 1wxx h LEU 155 N 0.14 0.56 -0.65 1.33 3.38 -1.56 -1.79 115.31 116.71 1wxx h LEU 155 Ca 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wxx h LEU 155 Cb 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wxx h LEU 155 CO 0.00 0.53 -0.02 -0.62 0.09 0.00 0.00 178.44 178.43 1wxx n GLU 156 N -4.35 1.39 -2.27 1.13 -0.58 -0.61 -4.66 120.64 110.69 1wxx n GLU 156 Ca 0.03 -0.65 -0.08 0.00 -0.42 0.00 0.00 57.16 56.04 1wxx n GLU 156 Cb 0.17 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1wxx n GLU 156 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wxx n GLY 157 N 1.15 0.11 3.83 0.62 0.00 -0.67 -4.78 105.19 105.44 1wxx n GLY 157 Ca 0.20 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 1wxx n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wxx s LEU 158 N -2.42 4.01 0.59 0.99 1.43 -0.91 -5.03 118.68 117.34 1wxx s LEU 158 Ca 0.04 0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.05 1wxx s LEU 158 Cb -0.02 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1wxx s LEU 158 CO 0.04 0.15 1.07 -2.16 0.23 0.00 0.00 176.35 175.68 1wxx s PRO 159 N -2.56 3.29 -0.21 1.29 0.04 -1.26 -4.36 135.00 131.23 1wxx s PRO 159 Ca 0.32 1.27 -0.08 0.00 0.04 0.00 0.00 61.00 62.55 1wxx s PRO 159 Cb -0.12 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1wxx s PRO 159 CO 0.24 -0.84 0.07 -0.51 0.04 0.00 0.00 177.00 176.01 1wxx s LEU 160 N -4.41 3.72 0.08 -3.56 1.43 -1.26 -4.87 118.68 109.81 1wxx s LEU 160 Ca 0.65 -0.01 -0.27 0.00 -1.03 0.00 0.00 54.13 53.47 1wxx s LEU 160 Cb -0.17 -1.96 0.08 0.00 0.03 0.00 0.00 46.19 44.17 1wxx s LEU 160 CO 0.35 0.10 0.99 -0.72 0.23 0.00 0.00 176.35 177.30 1wxx s TYR 161 N 0.83 -0.17 -0.08 0.29 -0.85 -0.21 -4.91 117.35 112.26 1wxx s TYR 161 Ca 0.04 -0.06 -0.01 0.00 -0.52 0.00 0.00 57.07 56.51 1wxx s TYR 161 Cb -0.14 0.60 0.03 0.00 0.38 0.00 0.00 41.96 42.83 1wxx s TYR 161 CO 0.02 -0.67 -0.01 0.08 -1.52 0.00 0.00 175.55 173.45 1wxx s VAL 162 N -3.11 0.49 0.01 -3.49 1.01 -1.26 -0.46 120.40 113.59 1wxx s VAL 162 Ca 0.11 0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 1wxx s VAL 162 Cb -0.00 -0.61 0.04 0.00 0.00 0.00 0.00 36.38 35.80 1wxx s VAL 162 CO -0.01 0.27 0.41 0.00 0.00 0.00 0.00 175.10 175.77 1wxx s ARG 163 N 1.84 0.86 0.34 2.72 1.70 -0.34 -5.00 118.95 121.07 1wxx s ARG 163 Ca 0.04 -0.23 -0.26 0.00 -0.47 0.00 0.00 55.73 54.81 1wxx s ARG 163 Cb -0.12 0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 34.55 1wxx s ARG 163 CO -0.05 -0.27 1.04 -1.25 -1.08 0.00 0.00 175.30 173.68 1wxx s PRO 164 N -1.93 4.42 -0.03 3.89 0.04 -1.26 0.20 135.00 140.32 1wxx s PRO 164 Ca -0.09 1.55 0.07 0.00 0.04 0.00 0.00 61.00 62.58 1wxx s PRO 164 Cb -0.02 -2.81 -0.11 0.00 0.04 0.00 0.00 34.50 31.60 1wxx s PRO 164 CO 0.01 0.08 0.12 1.28 0.04 0.00 0.00 177.00 178.53 1wxx n LEU 165 N 0.49 0.00 -3.64 -3.56 4.77 0.67 -4.83 117.00 110.89 1wxx n LEU 165 Ca 0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 1wxx n LEU 165 Cb 0.48 0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1wxx n LEU 165 CO 0.48 0.07 0.36 -0.22 -1.33 0.00 0.00 177.39 176.75 1wxx s LEU 166 N -3.91 -0.71 0.00 2.23 0.20 -1.03 -4.94 118.68 110.53 1wxx s LEU 166 Ca -0.03 1.41 0.00 0.00 0.69 0.00 0.00 54.13 56.20 1wxx s LEU 166 Cb 0.04 2.34 0.00 0.00 -0.43 0.00 0.00 46.19 48.14 1wxx s LEU 166 CO 0.32 -0.24 0.00 0.61 -0.29 0.00 0.00 176.35 176.75 1wxx n GLY 167 N 3.23 0.00 3.21 7.98 0.00 -1.26 -0.78 105.19 117.57 1wxx n GLY 167 Ca -0.16 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 1wxx n GLY 167 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wxx s GLU 168 N 0.00 2.55 -0.21 1.61 2.02 -1.26 -4.88 118.70 118.53 1wxx s GLU 168 Ca 0.00 -1.20 -0.29 0.00 0.02 0.00 0.00 54.97 53.50 1wxx s GLU 168 Cb 0.00 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 31.00 1wxx s GLU 168 CO 0.00 -0.60 1.04 0.08 0.02 0.00 0.00 175.26 175.79 1wxx s VAL 169 N 1.31 4.69 0.78 2.63 1.01 -1.26 -4.80 120.40 124.76 1wxx s VAL 169 Ca -0.04 2.03 -0.11 0.00 0.00 0.00 0.00 61.98 63.86 1wxx s VAL 169 Cb -0.19 -4.31 0.06 0.00 0.00 0.00 0.00 36.38 31.94 1wxx s VAL 169 CO -0.00 -0.15 1.10 -2.16 0.00 0.00 0.00 175.10 173.89 1wxx s PRO 170 N 3.00 2.22 0.10 2.72 0.04 -1.26 -4.98 135.00 136.85 1wxx s PRO 170 Ca 0.45 0.61 -0.10 0.00 0.04 0.00 0.00 61.00 62.00 1wxx s PRO 170 Cb -0.16 -1.94 -0.16 0.00 0.04 0.00 0.00 34.50 32.29 1wxx s PRO 170 CO 0.08 -1.52 1.26 0.93 0.04 0.00 0.00 177.00 177.79 1wxx h GLU 171 N -1.01 0.61 -3.63 4.56 5.08 -1.95 -3.42 114.58 114.83 1wxx h GLU 171 Ca -0.47 -0.62 -0.11 0.00 -1.00 0.00 0.00 59.36 57.16 1wxx h GLU 171 Cb 1.27 0.17 -0.17 0.00 0.50 0.00 0.00 28.75 30.51 1wxx h GLU 171 CO 0.60 1.23 -0.41 1.03 -1.00 0.00 0.00 179.01 180.46 1wxx s ARG 172 N -3.39 0.69 -0.02 2.33 0.52 -1.26 -0.06 118.95 117.76 1wxx s ARG 172 Ca -0.08 -0.69 -0.10 0.00 -0.52 0.00 0.00 55.73 54.34 1wxx s ARG 172 Cb 0.08 0.28 0.01 0.00 0.52 0.00 0.00 34.95 35.85 1wxx s ARG 172 CO 0.90 -0.20 0.22 0.54 0.02 0.00 0.00 175.30 176.78 1wxx s VAL 173 N -2.72 0.06 0.02 3.52 0.11 -0.54 -4.97 120.40 115.87 1wxx s VAL 173 Ca -0.04 -0.48 -0.18 0.00 -2.93 0.00 0.00 61.98 58.35 1wxx s VAL 173 Cb -0.00 -0.48 -0.06 0.00 -1.53 0.00 0.00 36.38 34.31 1wxx s VAL 173 CO -0.05 -0.27 0.52 -1.10 -3.33 0.00 0.00 175.10 170.87 1wxx s GLN 174 N -1.08 4.15 -0.05 1.54 -0.21 -1.26 -0.74 119.66 122.00 1wxx s GLN 174 Ca -0.12 0.62 0.06 0.00 0.02 0.00 0.00 55.36 55.94 1wxx s GLN 174 Cb -0.06 -3.27 -0.01 0.00 1.00 0.00 0.00 33.01 30.68 1wxx s GLN 174 CO 0.02 0.57 -0.25 0.08 -2.12 0.00 0.00 175.29 173.60 1wxx s VAL 175 N -0.81 2.03 -0.14 1.09 1.01 -0.06 -4.72 120.40 118.80 1wxx s VAL 175 Ca 0.27 -1.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 1wxx s VAL 175 Cb -0.18 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 1wxx s VAL 175 CO 0.16 0.56 0.31 -1.58 0.00 0.00 0.00 175.10 174.56 1wxx s GLN 176 N -0.20 4.18 -0.27 2.72 2.00 -0.45 -1.31 119.66 126.33 1wxx s GLN 176 Ca -0.02 0.14 -0.04 0.00 -2.00 0.00 0.00 55.36 53.43 1wxx s GLN 176 Cb -0.13 -3.39 0.09 0.00 0.80 0.00 0.00 33.01 30.38 1wxx s GLN 176 CO 0.03 0.31 0.13 -2.00 -0.50 0.00 0.00 175.29 173.25 1wxx s GLU 177 N 0.25 0.17 7.66 1.67 2.12 0.41 -4.21 118.70 126.78 1wxx s GLU 177 Ca 0.18 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.05 1wxx s GLU 177 Cb -0.13 -1.25 0.00 0.00 0.26 0.00 0.00 34.13 33.01 1wxx s GLU 177 CO 0.05 -0.97 0.00 0.41 -0.54 0.00 0.00 175.26 174.21 1wxx n GLY 178 N 5.26 3.12 0.79 -1.50 0.00 -1.26 -1.99 105.19 109.61 1wxx n GLY 178 Ca -0.06 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 45.85 1wxx n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wxx n ARG 179 N 13.60 2.00 -4.30 1.61 1.74 -1.26 -4.92 116.66 125.13 1wxx n ARG 179 Ca 0.00 -1.54 -0.16 0.00 -0.77 0.00 0.00 57.85 55.38 1wxx n ARG 179 Cb 0.00 -1.34 -0.10 0.00 -1.02 0.00 0.00 32.46 30.00 1wxx n ARG 179 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1wxx s VAL 180 N -1.43 1.09 0.10 1.55 -7.23 -0.84 -5.10 120.40 108.55 1wxx s VAL 180 Ca 0.29 -2.05 0.08 0.00 -1.81 0.00 0.00 61.98 58.48 1wxx s VAL 180 Cb 0.15 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 1wxx s VAL 180 CO 0.19 -0.48 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.18 1wxx s ARG 181 N -3.82 1.07 0.04 4.82 0.52 -1.26 -0.44 118.95 119.88 1wxx s ARG 181 Ca 0.24 -1.15 -0.02 0.00 -0.52 0.00 0.00 55.73 54.28 1wxx s ARG 181 Cb 0.04 -1.25 -0.03 0.00 0.52 0.00 0.00 34.95 34.24 1wxx s ARG 181 CO 0.06 0.28 0.00 1.52 0.02 0.00 0.00 175.30 177.18 1wxx s TYR 182 N -1.32 0.39 -0.18 -0.53 -0.85 -0.43 -4.80 117.35 109.63 1wxx s TYR 182 Ca 0.06 -0.82 -0.14 0.00 -0.52 0.00 0.00 57.07 55.65 1wxx s TYR 182 Cb -0.09 -0.29 -0.05 0.00 0.38 0.00 0.00 41.96 41.92 1wxx s TYR 182 CO 0.04 -0.34 0.29 -0.51 -1.52 0.00 0.00 175.55 173.51 1wxx s LEU 183 N -2.43 4.20 -0.15 -3.49 1.43 -1.26 -0.89 118.68 116.10 1wxx s LEU 183 Ca -0.01 0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 53.48 1wxx s LEU 183 Cb 0.02 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1wxx s LEU 183 CO -0.07 0.06 0.03 -0.69 0.23 0.00 0.00 176.35 175.90 1wxx s VAL 184 N 0.74 4.48 -0.32 -1.59 1.01 0.08 -4.78 120.40 120.01 1wxx s VAL 184 Ca 0.15 -0.15 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1wxx s VAL 184 Cb -0.13 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1wxx s VAL 184 CO 0.04 0.51 0.15 -0.62 0.00 0.00 0.00 175.10 175.18 1wxx s ASP 185 N 0.02 5.50 0.00 3.32 -1.08 -0.83 -1.47 116.67 122.13 1wxx s ASP 185 Ca 0.04 -0.69 0.26 0.00 -0.52 0.00 0.00 52.55 51.64 1wxx s ASP 185 Cb -0.13 -1.98 1.00 0.00 -1.46 0.00 0.00 42.92 40.36 1wxx s ASP 185 CO 0.02 -0.24 1.71 0.18 0.52 0.00 0.00 175.17 177.35 1wxx n LEU 186 N 4.96 1.48 -4.74 -1.34 4.77 0.91 -3.84 117.00 119.19 1wxx n LEU 186 Ca -0.13 -0.53 -0.41 0.00 -0.03 0.00 0.00 56.01 54.91 1wxx n LEU 186 Cb 0.48 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1wxx n LEU 186 CO 0.34 0.27 0.85 -0.13 -1.33 0.00 0.00 177.39 177.38 1wxx s ARG 187 N -1.95 4.54 0.57 3.23 0.52 -1.22 -4.93 118.95 119.72 1wxx s ARG 187 Ca 0.37 1.85 0.30 0.00 -0.52 0.00 0.00 55.73 57.73 1wxx s ARG 187 Cb 0.20 -3.23 1.44 0.00 0.52 0.00 0.00 34.95 33.89 1wxx s ARG 187 CO 0.32 0.01 1.84 0.00 0.02 0.00 0.00 175.30 177.48 1wxx h ALA 188 N 4.79 2.54 -0.02 2.13 0.00 -1.96 -2.06 119.26 124.68 1wxx h ALA 188 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1wxx h ALA 188 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1wxx h ALA 188 CO 0.72 -0.99 -0.43 0.41 0.00 0.00 0.00 179.25 178.95 1wxx n GLY 189 N -1.61 0.12 3.80 0.00 0.00 -1.26 -4.98 105.19 101.27 1wxx n GLY 189 Ca 0.14 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 1wxx n GLY 189 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wxx s GLN 190 N -2.44 2.83 -0.00 1.61 -1.52 -0.78 -5.08 119.66 114.28 1wxx s GLN 190 Ca 0.19 -1.12 -0.30 0.00 -1.95 0.00 0.00 55.36 52.19 1wxx s GLN 190 Cb 0.18 -2.50 -0.04 0.00 -0.22 0.00 0.00 33.01 30.43 1wxx s GLN 190 CO 0.55 0.38 1.09 -1.59 -0.25 0.00 0.00 175.29 175.47 1wxx s LYS 191 N -3.83 4.46 0.16 2.91 -2.85 -1.26 -4.79 119.74 114.54 1wxx s LYS 191 Ca 0.33 1.57 -0.16 0.00 -1.00 0.00 0.00 55.97 56.71 1wxx s LYS 191 Cb -0.08 -3.45 0.07 0.00 -2.06 0.00 0.00 37.83 32.32 1wxx s LYS 191 CO 0.24 -0.22 1.74 1.15 0.10 0.00 0.00 175.35 178.36 1wxx h THR 192 N 4.78 0.85 -1.90 3.79 2.02 -1.91 -3.35 112.91 117.20 1wxx h THR 192 Ca -0.39 -0.08 -0.22 0.00 0.77 0.00 0.00 66.41 66.49 1wxx h THR 192 Cb 1.20 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1wxx h THR 192 CO 0.81 0.04 -0.29 0.61 0.37 0.00 0.00 175.52 177.06 1wxx n GLY 193 N -1.23 -0.04 0.19 2.16 0.00 -1.26 -1.97 105.19 103.04 1wxx n GLY 193 Ca 0.02 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 1wxx n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wxx n ALA 194 N -1.92 1.51 -3.80 4.61 0.00 -1.26 -4.83 120.51 114.81 1wxx n ALA 194 Ca -0.11 -0.94 -0.34 0.00 0.00 0.00 0.00 53.44 52.05 1wxx n ALA 194 Cb 0.59 0.10 0.03 0.00 0.00 0.00 0.00 19.45 20.16 1wxx n ALA 194 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1wxx n TYR 195 N -3.60 -1.80 0.28 0.00 4.02 -1.26 -4.86 117.16 109.93 1wxx n TYR 195 Ca -0.43 0.40 0.13 0.00 -0.01 0.00 0.00 57.90 58.00 1wxx n TYR 195 Cb 0.87 -3.17 0.80 0.00 -0.02 0.00 0.00 39.34 37.82 1wxx n TYR 195 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1wxx h LEU 196 N -1.84 0.00 -1.26 7.72 3.38 -1.96 -2.53 115.31 118.83 1wxx h LEU 196 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1wxx h LEU 196 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1wxx h LEU 196 CO 0.47 0.07 0.00 -2.24 0.09 0.00 0.00 178.44 176.83 1wxx h ASP 197 N 0.00 0.00 -0.28 -0.43 3.04 -1.98 -1.31 116.42 115.46 1wxx h ASP 197 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1wxx h ASP 197 Cb 0.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.48 1wxx h ASP 197 CO 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.21 1wxx n GLN 198 N -2.35 2.15 -0.09 4.15 1.13 -0.95 -4.41 117.38 117.01 1wxx n GLN 198 Ca -0.00 -1.99 -0.08 0.00 -1.94 0.00 0.00 57.00 52.99 1wxx n GLN 198 Cb 0.13 -1.40 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 1wxx n GLN 198 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1wxx h ARG 199 N 3.56 -0.25 0.00 -1.09 2.43 -1.34 0.18 114.38 117.87 1wxx h ARG 199 Ca 0.00 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1wxx h ARG 199 Cb 0.83 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1wxx h ARG 199 CO 0.00 -0.17 -0.49 0.93 -1.51 0.00 0.00 179.97 178.73 1wxx h GLU 200 N -0.26 0.00 -0.11 0.20 4.39 -1.84 -1.84 114.58 115.12 1wxx h GLU 200 Ca 0.16 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.68 1wxx h GLU 200 Cb 0.51 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1wxx h GLU 200 CO -0.48 0.49 -0.66 -0.91 -1.16 0.00 0.00 179.01 176.29 1wxx h ASN 201 N 0.00 0.52 -0.37 1.42 2.35 -1.74 -0.19 115.58 117.58 1wxx h ASN 201 Ca -0.00 -0.32 -0.07 0.00 -0.55 0.00 0.00 56.30 55.36 1wxx h ASN 201 Cb 0.88 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1wxx h ASN 201 CO 0.06 1.04 -0.04 0.03 -1.65 0.00 0.00 177.43 176.88 1wxx h ARG 202 N 0.33 0.67 -0.57 0.81 3.08 -0.77 -2.89 114.38 115.04 1wxx h ARG 202 Ca -0.02 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1wxx h ARG 202 Cb 1.22 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 1wxx h ARG 202 CO 0.12 0.80 0.22 -0.07 -1.07 0.00 0.00 179.97 179.96 1wxx h LEU 203 N 0.48 0.76 -4.15 3.04 3.38 -1.18 -3.31 115.31 114.33 1wxx h LEU 203 Ca 0.10 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wxx h LEU 203 Cb 0.52 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1wxx h LEU 203 CO 0.03 0.69 0.08 0.00 0.09 0.00 0.00 178.44 179.32 1wxx n TYR 204 N -4.32 0.00 0.00 1.13 9.36 -0.10 -4.50 117.16 118.73 1wxx n TYR 204 Ca 0.05 -0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.26 1wxx n TYR 204 Cb 0.17 -0.27 0.00 0.00 -0.63 0.00 0.00 39.34 38.61 1wxx n TYR 204 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1wxx n GLU 206 N 2.15 0.00 0.19 2.98 1.02 -1.25 -4.63 120.64 121.10 1wxx n GLU 206 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 1wxx n GLU 206 Cb 0.00 -2.15 0.12 0.00 -0.02 0.00 0.00 31.44 29.39 1wxx n GLU 206 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1wxx h ARG 207 N 0.00 0.00 -7.08 3.49 0.11 -1.93 -3.47 114.38 105.51 1wxx h ARG 207 Ca 0.00 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.63 1wxx h ARG 207 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1wxx h ARG 207 CO 0.00 0.13 0.35 -0.06 0.10 0.00 0.00 179.97 180.49 1wxx s PHE 208 N -3.15 3.26 0.05 4.08 0.08 -1.26 -5.08 117.98 115.95 1wxx s PHE 208 Ca 0.05 1.59 0.03 0.00 0.12 0.00 0.00 56.93 58.72 1wxx s PHE 208 Cb 0.06 -2.89 -0.03 0.00 -0.57 0.00 0.00 43.02 39.59 1wxx s PHE 208 CO 0.70 -0.30 -0.09 1.03 -0.10 0.00 0.00 175.22 176.45 1wxx s ARG 209 N -3.31 0.62 0.00 0.44 1.81 -1.26 -4.57 118.95 112.68 1wxx s ARG 209 Ca 0.63 -0.85 0.00 0.00 -1.72 0.00 0.00 55.73 53.78 1wxx s ARG 209 Cb -0.11 -0.42 0.00 0.00 -0.45 0.00 0.00 34.95 33.98 1wxx s ARG 209 CO 0.17 0.08 0.00 0.41 -0.68 0.00 0.00 175.30 175.28 1wxx n GLY 210 N 1.29 -1.35 0.03 -3.53 0.00 -1.00 -4.99 105.19 95.65 1wxx n GLY 210 Ca -0.22 -0.96 -0.02 0.00 0.00 0.00 0.00 46.02 44.82 1wxx n GLY 210 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wxx n GLU 211 N -0.06 0.22 -5.23 1.61 -0.58 -1.26 -2.72 120.64 112.62 1wxx n GLU 211 Ca 0.00 0.38 -0.32 0.00 -0.42 0.00 0.00 57.16 56.80 1wxx n GLU 211 Cb 0.00 -1.21 -0.16 0.00 -0.57 0.00 0.00 31.44 29.50 1wxx n GLU 211 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1wxx s ARG 212 N -1.62 2.59 0.07 3.49 0.52 -1.26 -1.00 118.95 121.74 1wxx s ARG 212 Ca -0.07 -0.89 0.08 0.00 -0.52 0.00 0.00 55.73 54.33 1wxx s ARG 212 Cb 0.01 -2.19 -0.03 0.00 0.52 0.00 0.00 34.95 33.26 1wxx s ARG 212 CO 0.11 0.38 -0.22 0.00 0.02 0.00 0.00 175.30 175.59 1wxx s ALA 213 N -0.16 1.91 -0.13 2.13 0.00 -0.64 -1.14 121.76 123.72 1wxx s ALA 213 Ca -0.03 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1wxx s ALA 213 Cb -0.14 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1wxx s ALA 213 CO 0.04 0.42 -0.17 -1.17 0.00 0.00 0.00 175.76 174.88 1wxx s LEU 214 N -1.44 1.86 -0.44 0.00 2.96 0.12 -1.26 118.68 120.49 1wxx s LEU 214 Ca 0.09 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.42 1wxx s LEU 214 Cb -0.09 -1.25 0.11 0.00 0.50 0.00 0.00 46.19 45.46 1wxx s LEU 214 CO 0.03 0.01 0.27 -0.62 -1.32 0.00 0.00 176.35 174.72 1wxx s ASP 215 N 1.10 5.47 0.09 3.68 2.15 0.41 -0.35 116.67 129.22 1wxx s ASP 215 Ca -0.02 -1.98 -0.17 0.00 0.43 0.00 0.00 52.55 50.80 1wxx s ASP 215 Cb -0.14 -1.91 -0.07 0.00 -0.30 0.00 0.00 42.92 40.50 1wxx s ASP 215 CO -0.05 -0.61 0.55 -0.69 -0.17 0.00 0.00 175.17 174.19 1wxx s VAL 216 N 1.24 4.80 -1.27 1.11 1.01 0.10 -0.40 120.40 127.00 1wxx s VAL 216 Ca 0.07 1.05 -0.07 0.00 0.00 0.00 0.00 61.98 63.03 1wxx s VAL 216 Cb -0.24 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1wxx s VAL 216 CO -0.03 0.45 1.10 0.49 0.00 0.00 0.00 175.10 177.11 1wxx n PHE 217 N 1.40 -2.63 -0.20 5.22 3.01 -0.46 -2.97 117.46 120.84 1wxx n PHE 217 Ca -0.09 0.96 0.18 0.00 1.01 0.00 0.00 57.45 59.51 1wxx n PHE 217 Cb 0.51 -4.89 0.53 0.00 -0.01 0.00 0.00 39.48 35.62 1wxx n PHE 217 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1wxx h SER 218 N -2.43 0.36 0.00 4.37 0.87 -1.09 -3.43 113.55 112.21 1wxx h SER 218 Ca -0.55 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 1wxx h SER 218 Cb 1.35 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1wxx h SER 218 CO 0.52 0.16 0.00 0.00 -0.53 0.00 0.00 176.83 176.99 1wxx n TYR 219 N -4.48 0.00 1.60 2.24 9.36 -1.26 -1.27 117.16 123.35 1wxx n TYR 219 Ca 0.17 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.44 1wxx n TYR 219 Cb 0.64 0.00 0.32 0.00 -0.63 0.00 0.00 39.34 39.67 1wxx n TYR 219 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1wxx n ALA 220 N 10.64 2.36 -0.77 2.98 0.00 -1.26 -4.42 120.51 130.04 1wxx n ALA 220 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1wxx n ALA 220 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1wxx n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wxx n GLY 221 N 0.43 0.53 0.15 0.00 0.00 -0.40 -3.53 105.19 102.36 1wxx n GLY 221 Ca 0.08 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 1wxx n GLY 221 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wxx h GLY 222 N 0.00 0.28 1.01 -0.02 0.00 -1.88 -1.75 103.07 100.71 1wxx h GLY 222 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1wxx h GLY 222 CO 0.00 -0.11 0.10 0.74 0.00 0.00 0.00 176.54 177.27 1wxx h PHE 223 N 0.04 0.96 -0.65 5.60 0.04 -1.94 -2.91 116.94 118.08 1wxx h PHE 223 Ca 0.16 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1wxx h PHE 223 Cb 0.24 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 1wxx h PHE 223 CO -0.28 0.85 0.42 0.00 -0.60 0.00 0.00 178.31 178.70 1wxx h ALA 224 N 1.00 1.53 -0.69 2.45 0.00 -1.85 -2.03 119.26 119.67 1wxx h ALA 224 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1wxx h ALA 224 Cb 0.40 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1wxx h ALA 224 CO 0.01 0.44 0.40 -0.07 0.00 0.00 0.00 179.25 180.02 1wxx h LEU 225 N 0.88 0.85 -0.72 0.00 3.38 -1.12 -1.03 115.31 117.55 1wxx h LEU 225 Ca 0.24 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1wxx h LEU 225 Cb -0.09 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1wxx h LEU 225 CO -0.05 0.68 -0.60 0.45 0.09 0.00 0.00 178.44 179.01 1wxx h HIS 226 N 0.95 0.00 0.00 1.13 3.86 -1.42 -3.16 115.15 116.51 1wxx h HIS 226 Ca 0.25 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.32 1wxx h HIS 226 Cb 0.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1wxx h HIS 226 CO -0.01 0.60 -0.63 -0.07 0.86 0.00 0.00 177.93 178.68 1wxx h LEU 227 N 0.00 0.00 -1.33 2.43 3.38 -0.97 -3.32 115.31 115.50 1wxx h LEU 227 Ca -0.01 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.12 1wxx h LEU 227 Cb 1.12 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 1wxx h LEU 227 CO 0.08 0.63 0.58 0.00 0.09 0.00 0.00 178.44 179.81 1wxx h ALA 228 N 1.37 1.92 0.00 1.53 0.00 -1.16 -0.36 119.26 122.55 1wxx h ALA 228 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wxx h ALA 228 Cb 1.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1wxx h ALA 228 CO 0.08 -0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.44 1wxx n LEU 229 N -4.56 0.00 0.00 0.00 4.32 -1.25 -3.70 117.00 111.81 1wxx n LEU 229 Ca 0.18 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.55 1wxx n LEU 229 Cb 0.53 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 1wxx n LEU 229 CO 0.29 -0.06 -0.23 0.61 -1.22 0.00 0.00 177.39 176.79 1wxx n GLY 230 N 0.96 0.52 3.45 -0.72 0.00 -0.28 -5.05 105.19 104.07 1wxx n GLY 230 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1wxx n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wxx s PHE 231 N -1.39 2.43 0.04 1.61 0.40 -0.43 -2.36 117.98 118.27 1wxx s PHE 231 Ca 0.00 -0.32 -0.24 0.00 -0.60 0.00 0.00 56.93 55.77 1wxx s PHE 231 Cb 0.00 -1.28 -0.17 0.00 0.51 0.00 0.00 43.02 42.07 1wxx s PHE 231 CO 0.00 0.39 1.52 -0.09 0.70 0.00 0.00 175.22 177.74 1wxx h ARG 232 N 3.68 -0.01 -5.02 0.44 2.43 -0.95 -3.44 114.38 111.50 1wxx h ARG 232 Ca -0.50 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.23 1wxx h ARG 232 Cb 1.18 0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 30.44 1wxx h ARG 232 CO 0.44 0.22 -0.80 -2.00 -1.51 0.00 0.00 179.97 176.32 1wxx s GLU 233 N -5.30 0.95 -0.07 0.20 2.12 -0.17 -4.80 118.70 111.64 1wxx s GLU 233 Ca -0.14 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 54.79 1wxx s GLU 233 Cb 0.04 -0.92 0.01 0.00 0.26 0.00 0.00 34.13 33.53 1wxx s GLU 233 CO 0.67 0.25 -0.12 0.08 -0.54 0.00 0.00 175.26 175.59 1wxx s VAL 234 N -0.27 1.17 -0.22 3.70 1.01 -0.18 -1.63 120.40 123.98 1wxx s VAL 234 Ca 0.04 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 1wxx s VAL 234 Cb -0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1wxx s VAL 234 CO -0.00 0.37 -0.05 -0.69 0.00 0.00 0.00 175.10 174.72 1wxx s VAL 235 N 0.77 3.33 -0.22 2.92 1.01 -0.39 -1.18 120.40 126.64 1wxx s VAL 235 Ca -0.12 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 1wxx s VAL 235 Cb -0.15 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1wxx s VAL 235 CO 0.02 0.43 0.13 0.00 0.00 0.00 0.00 175.10 175.68 1wxx s ALA 236 N 1.47 3.55 -0.07 5.51 0.00 -0.53 -0.45 121.76 131.26 1wxx s ALA 236 Ca 0.06 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1wxx s ALA 236 Cb -0.14 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 1wxx s ALA 236 CO -0.04 -0.09 -0.24 0.08 0.00 0.00 0.00 175.76 175.48 1wxx s VAL 237 N 0.86 2.17 0.02 0.00 1.01 0.47 -0.12 120.40 124.81 1wxx s VAL 237 Ca 0.07 -1.02 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 1wxx s VAL 237 Cb -0.13 -1.80 0.08 0.00 0.00 0.00 0.00 36.38 34.53 1wxx s VAL 237 CO 0.03 0.57 0.71 -0.62 0.00 0.00 0.00 175.10 175.78 1wxx s ASP 238 N -0.11 -0.56 0.32 3.32 2.15 -1.11 -0.82 116.67 119.85 1wxx s ASP 238 Ca -0.05 0.36 0.21 0.00 0.43 0.00 0.00 52.55 53.50 1wxx s ASP 238 Cb -0.14 0.52 0.16 0.00 -0.30 0.00 0.00 42.92 43.15 1wxx s ASP 238 CO 0.04 -0.71 1.37 0.28 -0.17 0.00 0.00 175.17 175.98 1wxx h SER 239 N 2.50 0.00 -3.60 -0.34 0.02 -1.87 -2.22 113.55 108.04 1wxx h SER 239 Ca -0.28 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.05 1wxx h SER 239 Cb 1.21 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.63 1wxx h SER 239 CO 0.37 0.15 0.35 -0.55 -1.14 0.00 0.00 176.83 176.00 1wxx s SER 240 N -6.01 6.44 0.33 3.07 0.15 -1.26 -4.79 113.70 111.63 1wxx s SER 240 Ca 0.04 -0.00 0.02 0.00 0.70 0.00 0.00 55.95 56.71 1wxx s SER 240 Cb 0.07 -2.38 0.58 0.00 -1.71 0.00 0.00 66.02 62.57 1wxx s SER 240 CO 0.73 -0.86 1.92 0.00 1.20 0.00 0.00 173.24 176.22 1wxx h ALA 241 N 8.85 1.41 -0.59 5.45 0.00 -1.99 -1.30 119.26 131.09 1wxx h ALA 241 Ca -0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1wxx h ALA 241 Cb 1.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1wxx h ALA 241 CO 0.94 0.45 0.20 1.49 0.00 0.00 0.00 179.25 182.33 1wxx h GLU 242 N 0.71 0.90 -0.42 0.00 4.81 -1.99 -0.52 114.58 118.07 1wxx h GLU 242 Ca 0.17 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1wxx h GLU 242 Cb 0.15 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1wxx h GLU 242 CO -0.02 0.80 0.18 0.00 -0.73 0.00 0.00 179.01 179.24 1wxx h ALA 243 N 1.06 0.54 0.00 2.92 0.00 -1.70 -2.24 119.26 119.85 1wxx h ALA 243 Ca 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1wxx h ALA 243 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1wxx h ALA 243 CO -0.01 0.13 -0.19 -0.07 0.00 0.00 0.00 179.25 179.10 1wxx h LEU 244 N 0.53 0.00 -0.76 0.00 3.38 -0.99 -1.01 115.31 116.45 1wxx h LEU 244 Ca 0.14 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1wxx h LEU 244 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1wxx h LEU 244 CO -0.01 0.19 -0.10 -0.09 0.09 0.00 0.00 178.44 178.52 1wxx h ARG 245 N 0.00 0.84 -0.30 1.13 2.43 -0.51 0.03 114.38 118.00 1wxx h ARG 245 Ca -0.00 -0.28 -0.16 0.00 -0.81 0.00 0.00 59.98 58.73 1wxx h ARG 245 Cb 0.42 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1wxx h ARG 245 CO 0.03 0.90 -0.44 -0.09 -1.51 0.00 0.00 179.97 178.86 1wxx h ARG 246 N 0.75 0.76 0.01 0.20 9.65 -0.92 -1.97 114.38 122.87 1wxx h ARG 246 Ca 0.13 -0.42 0.01 0.00 -1.10 0.00 0.00 59.98 58.60 1wxx h ARG 246 Cb 0.60 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 1wxx h ARG 246 CO 0.04 1.04 -0.07 0.00 2.80 0.00 0.00 179.97 183.78 1wxx h ALA 247 N 0.89 -0.09 -0.90 2.80 0.00 -0.61 0.16 119.26 121.51 1wxx h ALA 247 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wxx h ALA 247 Cb 1.00 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1wxx h ALA 247 CO 0.10 -0.57 0.52 0.93 0.00 0.00 0.00 179.25 180.23 1wxx h GLU 248 N -0.13 1.24 -0.43 0.00 5.08 -0.96 0.79 114.58 120.17 1wxx h GLU 248 Ca 0.02 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1wxx h GLU 248 Cb 0.16 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1wxx h GLU 248 CO -0.06 0.89 0.28 1.49 -1.00 0.00 0.00 179.01 180.60 1wxx h GLU 249 N 1.25 0.57 -0.49 2.33 4.81 -0.88 0.65 114.58 122.82 1wxx h GLU 249 Ca 0.32 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.44 1wxx h GLU 249 Cb -0.02 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1wxx h GLU 249 CO -0.06 0.39 0.04 -0.91 -0.73 0.00 0.00 179.01 177.74 1wxx h ASN 250 N 0.58 0.82 -0.52 1.04 2.35 -0.15 -1.06 115.58 118.63 1wxx h ASN 250 Ca 0.16 -0.29 0.03 0.00 -0.55 0.00 0.00 56.30 55.65 1wxx h ASN 250 Cb -0.05 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.07 1wxx h ASN 250 CO -0.03 0.90 0.30 0.00 -1.65 0.00 0.00 177.43 176.95 1wxx h ALA 251 N 0.95 0.66 -0.76 -0.83 0.00 -0.46 -2.13 119.26 116.69 1wxx h ALA 251 Ca 0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1wxx h ALA 251 Cb 0.46 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1wxx h ALA 251 CO 0.02 -0.00 0.34 -0.09 0.00 0.00 0.00 179.25 179.51 1wxx h ARG 252 N 0.60 1.11 0.00 0.00 2.43 -0.65 -0.61 114.38 117.26 1wxx h ARG 252 Ca 0.21 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1wxx h ARG 252 Cb 0.04 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1wxx h ARG 252 CO -0.10 0.88 -0.04 1.25 -1.51 0.00 0.00 179.97 180.44 1wxx h LEU 253 N 1.10 0.00 -1.92 3.80 5.85 -0.54 -1.71 115.31 121.89 1wxx h LEU 253 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1wxx h LEU 253 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1wxx h LEU 253 CO -0.03 0.04 0.00 0.59 -0.34 0.00 0.00 178.44 178.71 1wxx n ASN 254 N -4.22 2.96 -1.34 1.25 3.02 -0.82 -4.95 115.26 111.16 1wxx n ASN 254 Ca -0.03 -1.97 -0.12 0.00 -0.03 0.00 0.00 54.58 52.43 1wxx n ASN 254 Cb 0.13 -0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 1wxx n ASN 254 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wxx n GLY 255 N 1.36 0.08 3.57 7.41 0.00 -0.64 -4.97 105.19 111.99 1wxx n GLY 255 Ca 0.15 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1wxx n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wxx s LEU 256 N -3.43 4.23 0.00 0.99 1.43 -0.30 -4.91 118.68 116.69 1wxx s LEU 256 Ca 0.00 0.18 0.18 0.00 -1.03 0.00 0.00 54.13 53.46 1wxx s LEU 256 Cb 0.00 -2.84 0.20 0.00 0.03 0.00 0.00 46.19 43.58 1wxx s LEU 256 CO 0.00 -0.63 1.12 0.61 0.23 0.00 0.00 176.35 177.68 1wxx n GLY 257 N 4.65 0.74 1.74 -3.19 0.00 -1.26 -4.43 105.19 103.44 1wxx n GLY 257 Ca -0.00 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.55 1wxx n GLY 257 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wxx n ASN 258 N 1.03 5.34 -4.17 1.61 6.94 -1.26 -4.87 115.26 119.88 1wxx n ASN 258 Ca 0.12 -2.99 -0.34 0.00 -0.02 0.00 0.00 54.58 51.35 1wxx n ASN 258 Cb 0.46 -0.67 -0.14 0.00 -2.36 0.00 0.00 39.78 37.07 1wxx n ASN 258 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1wxx s VAL 259 N -2.82 2.77 -0.15 3.53 1.01 -1.26 -1.01 120.40 122.47 1wxx s VAL 259 Ca 0.53 -1.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1wxx s VAL 259 Cb 0.41 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1wxx s VAL 259 CO 0.14 0.08 -0.09 0.00 0.00 0.00 0.00 175.10 175.24 1wxx s ARG 260 N 1.27 3.47 0.31 2.72 1.70 -0.33 -4.99 118.95 123.10 1wxx s ARG 260 Ca -0.03 -0.62 -0.18 0.00 -0.47 0.00 0.00 55.73 54.43 1wxx s ARG 260 Cb -0.18 -2.78 -0.09 0.00 -0.57 0.00 0.00 34.95 31.33 1wxx s ARG 260 CO -0.04 0.15 0.77 0.14 -1.08 0.00 0.00 175.30 175.25 1wxx s VAL 261 N 0.54 4.58 -0.17 4.99 -7.23 -1.26 -1.45 120.40 120.40 1wxx s VAL 261 Ca -0.06 1.18 -0.05 0.00 -1.81 0.00 0.00 61.98 61.24 1wxx s VAL 261 Cb -0.15 -3.71 0.06 0.00 0.56 0.00 0.00 36.38 33.14 1wxx s VAL 261 CO 0.03 -0.06 0.08 -0.22 -0.31 0.00 0.00 175.10 174.63 1wxx s LEU 262 N -2.64 0.41 -0.38 1.32 2.96 0.83 -4.90 118.68 116.28 1wxx s LEU 262 Ca 0.51 -0.62 -0.29 0.00 -0.22 0.00 0.00 54.13 53.51 1wxx s LEU 262 Cb -0.13 -0.27 0.02 0.00 0.50 0.00 0.00 46.19 46.31 1wxx s LEU 262 CO 0.18 -0.35 1.15 -0.70 -1.32 0.00 0.00 176.35 175.32 1wxx s GLU 263 N 2.12 3.89 0.09 1.98 2.12 -1.26 -2.75 118.70 124.89 1wxx s GLU 263 Ca 0.02 0.90 -0.26 0.00 0.36 0.00 0.00 54.97 55.98 1wxx s GLU 263 Cb -0.16 -3.84 0.08 0.00 0.26 0.00 0.00 34.13 30.47 1wxx s GLU 263 CO -0.09 -1.15 0.88 0.00 -0.54 0.00 0.00 175.26 174.36 1wxx s ALA 264 N 4.16 -1.71 -0.26 6.30 0.00 -0.83 -4.97 121.76 124.45 1wxx s ALA 264 Ca 0.49 0.56 -0.27 0.00 0.00 0.00 0.00 51.96 52.74 1wxx s ALA 264 Cb -0.11 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.59 1wxx s ALA 264 CO 0.24 -0.85 0.95 1.21 0.00 0.00 0.00 175.76 177.31 1wxx s ASN 265 N -2.70 6.94 0.22 0.00 3.84 -1.26 -3.28 114.94 118.68 1wxx s ASN 265 Ca 0.08 1.13 -0.15 0.00 0.21 0.00 0.00 52.86 54.12 1wxx s ASN 265 Cb -0.01 -2.49 0.24 0.00 -0.55 0.00 0.00 41.25 38.43 1wxx s ASN 265 CO -0.04 -0.66 1.60 0.00 -2.79 0.00 0.00 177.10 175.20 1wxx h ALA 266 N 7.72 0.29 0.06 1.71 0.00 -1.94 0.05 119.26 127.15 1wxx h ALA 266 Ca -0.21 0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1wxx h ALA 266 Cb 1.07 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1wxx h ALA 266 CO 0.95 -0.51 -0.16 0.74 0.00 0.00 0.00 179.25 180.26 1wxx h PHE 267 N -0.06 -0.43 -0.05 0.00 0.04 -2.00 -1.40 116.94 113.05 1wxx h PHE 267 Ca 0.31 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.09 1wxx h PHE 267 Cb 0.55 0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.87 1wxx h PHE 267 CO -0.62 -0.24 0.03 0.22 -0.60 0.00 0.00 178.31 177.10 1wxx h ASP 268 N -0.30 0.06 -0.34 2.17 3.58 -1.82 -2.99 116.42 116.78 1wxx h ASP 268 Ca 0.04 -0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.49 1wxx h ASP 268 Cb 0.34 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 1wxx h ASP 268 CO -0.12 0.08 0.09 0.25 -2.88 0.00 0.00 179.24 176.66 1wxx h LEU 269 N 0.03 0.06 -1.33 2.28 5.85 -0.86 -1.68 115.31 119.66 1wxx h LEU 269 Ca 0.02 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1wxx h LEU 269 Cb 0.03 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1wxx h LEU 269 CO -0.00 0.07 0.48 -0.07 -0.34 0.00 0.00 178.44 178.58 1wxx h LEU 270 N 0.21 0.75 -0.04 2.25 3.38 -1.23 0.48 115.31 121.12 1wxx h LEU 270 Ca 0.16 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1wxx h LEU 270 Cb 0.16 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1wxx h LEU 270 CO -0.19 0.51 -0.07 -0.09 0.09 0.00 0.00 178.44 178.69 1wxx h ARG 271 N 0.87 0.12 -0.50 1.13 2.43 -1.32 -2.47 114.38 114.64 1wxx h ARG 271 Ca 0.29 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.42 1wxx h ARG 271 Cb 0.09 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1wxx h ARG 271 CO -0.09 0.65 0.27 -0.09 -1.51 0.00 0.00 179.97 179.20 1wxx h ARG 272 N -0.40 0.51 -0.71 0.20 2.43 -0.95 -0.15 114.38 115.31 1wxx h ARG 272 Ca 0.00 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1wxx h ARG 272 Cb 0.65 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1wxx h ARG 272 CO 0.02 0.34 0.47 -0.07 -1.51 0.00 0.00 179.97 179.21 1wxx h LEU 273 N 0.53 0.74 0.09 3.80 3.38 -0.95 0.26 115.31 123.16 1wxx h LEU 273 Ca 0.21 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1wxx h LEU 273 Cb 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1wxx h LEU 273 CO -0.13 0.51 -0.04 -0.08 0.09 0.00 0.00 178.44 178.79 1wxx h GLU 274 N 0.86 -0.11 -0.09 1.13 4.57 -0.73 -0.92 114.58 119.29 1wxx h GLU 274 Ca 0.28 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.42 1wxx h GLU 274 Cb 0.05 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1wxx h GLU 274 CO -0.08 0.16 -0.18 0.87 -1.18 0.00 0.00 179.01 178.60 1wxx h LYS 275 N -0.38 0.15 0.00 1.92 1.79 -0.55 -1.78 116.57 117.72 1wxx h LYS 275 Ca -0.01 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1wxx h LYS 275 Cb 0.32 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1wxx h LYS 275 CO 0.02 0.34 0.00 0.39 -1.08 0.00 0.00 179.45 179.11 1wxx n GLU 276 N -4.26 0.15 -0.73 3.15 1.02 0.87 -4.86 120.64 115.99 1wxx n GLU 276 Ca -0.01 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1wxx n GLU 276 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1wxx n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wxx n GLY 277 N 0.33 0.72 3.77 0.62 0.00 -0.67 -5.03 105.19 104.93 1wxx n GLY 277 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1wxx n GLY 277 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wxx s GLU 278 N -0.27 3.96 0.02 1.61 0.41 -0.37 -5.03 118.70 119.02 1wxx s GLU 278 Ca 0.00 2.14 -0.01 0.00 -0.41 0.00 0.00 54.97 56.69 1wxx s GLU 278 Cb 0.00 -2.74 -0.02 0.00 -1.78 0.00 0.00 34.13 29.59 1wxx s GLU 278 CO 0.00 -0.50 -0.00 1.03 -0.49 0.00 0.00 175.26 175.30 1wxx s ARG 279 N -2.26 0.32 0.18 1.61 1.81 -1.26 -4.64 118.95 114.71 1wxx s ARG 279 Ca 0.57 -0.55 0.04 0.00 -1.72 0.00 0.00 55.73 54.07 1wxx s ARG 279 Cb -0.38 0.12 -0.05 0.00 -0.45 0.00 0.00 34.95 34.19 1wxx s ARG 279 CO 0.48 -0.06 -0.05 -0.06 -0.68 0.00 0.00 175.30 174.93 1wxx s PHE 280 N -1.37 1.34 -0.42 -0.53 0.40 0.78 -4.94 117.98 113.23 1wxx s PHE 280 Ca -0.15 -0.86 0.23 0.00 -0.60 0.00 0.00 56.93 55.55 1wxx s PHE 280 Cb -0.09 -0.73 0.12 0.00 0.51 0.00 0.00 43.02 42.83 1wxx s PHE 280 CO -0.01 -0.01 1.12 -0.25 0.70 0.00 0.00 175.22 176.78 1wxx n ASP 281 N -0.27 0.75 -3.64 1.36 10.43 -0.29 -1.70 116.55 123.20 1wxx n ASP 281 Ca -0.08 0.17 -0.12 0.00 2.57 0.00 0.00 54.79 57.33 1wxx n ASP 281 Cb 0.62 0.43 -0.07 0.00 1.84 0.00 0.00 41.12 43.93 1wxx n ASP 281 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1wxx s LEU 282 N -4.75 -0.71 -0.04 0.64 0.20 -1.16 -1.28 118.68 111.57 1wxx s LEU 282 Ca 0.02 1.42 0.02 0.00 0.69 0.00 0.00 54.13 56.28 1wxx s LEU 282 Cb 0.12 2.37 0.01 0.00 -0.43 0.00 0.00 46.19 48.26 1wxx s LEU 282 CO 0.77 -0.24 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.82 1wxx s VAL 283 N 0.67 0.78 -0.14 1.68 1.01 -0.13 -0.70 120.40 123.56 1wxx s VAL 283 Ca -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1wxx s VAL 283 Cb -0.05 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1wxx s VAL 283 CO -0.04 0.27 -0.12 -0.69 0.00 0.00 0.00 175.10 174.52 1wxx s VAL 284 N 0.63 3.11 -0.23 2.92 1.01 0.52 -1.20 120.40 127.16 1wxx s VAL 284 Ca -0.10 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1wxx s VAL 284 Cb -0.13 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 33.97 1wxx s VAL 284 CO 0.01 0.51 -0.13 -0.76 0.00 0.00 0.00 175.10 174.73 1wxx s LEU 285 N 0.50 3.01 -0.47 3.92 1.43 0.48 -0.72 118.68 126.83 1wxx s LEU 285 Ca -0.08 -1.10 0.08 0.00 -1.03 0.00 0.00 54.13 52.00 1wxx s LEU 285 Cb -0.16 -1.54 0.29 0.00 0.03 0.00 0.00 46.19 44.82 1wxx s LEU 285 CO 0.04 -0.12 0.70 -0.67 0.23 0.00 0.00 176.35 176.53 1wxx n ASP 286 N 4.52 1.85 -4.74 2.29 2.03 -1.16 -1.41 116.55 119.93 1wxx n ASP 286 Ca -0.16 -3.11 -0.33 0.00 0.52 0.00 0.00 54.79 51.70 1wxx n ASP 286 Cb 0.45 -0.63 0.08 0.00 -0.72 0.00 0.00 41.12 40.30 1wxx n ASP 286 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1wxx s PRO 287 N -2.21 2.38 1.03 -0.67 0.04 -1.26 -4.75 135.00 129.55 1wxx s PRO 287 Ca 0.40 1.53 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 1wxx s PRO 287 Cb 0.24 -1.89 0.21 0.00 0.04 0.00 0.00 34.50 33.10 1wxx s PRO 287 CO -0.09 -1.60 1.09 -1.25 0.04 0.00 0.00 177.00 175.19 1wxx s PRO 288 N -4.12 0.14 -0.13 0.56 0.04 -1.26 -4.56 135.00 125.67 1wxx s PRO 288 Ca 0.69 0.44 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 1wxx s PRO 288 Cb -0.24 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 1wxx s PRO 288 CO 0.45 -2.91 1.79 0.00 0.04 0.00 0.00 177.00 176.37 1wxx s ALA 289 N -2.96 3.34 -0.62 8.56 0.00 -1.26 -4.80 121.76 124.01 1wxx s ALA 289 Ca 0.66 0.80 0.25 0.00 0.00 0.00 0.00 51.96 53.67 1wxx s ALA 289 Cb -0.18 -3.86 0.61 0.00 0.00 0.00 0.00 23.12 19.69 1wxx s ALA 289 CO 0.58 -1.87 1.68 0.74 0.00 0.00 0.00 175.76 176.89 1wxx h PHE 290 N 11.07 0.00 -3.67 0.00 0.05 -1.94 -3.44 116.94 119.00 1wxx h PHE 290 Ca -0.39 0.00 -0.53 0.00 3.82 0.00 0.00 57.97 60.87 1wxx h PHE 290 Cb 1.19 0.00 -0.32 0.00 2.00 0.00 0.00 35.95 38.82 1wxx h PHE 290 CO 0.92 0.00 -0.82 0.00 -0.18 0.00 0.00 178.31 178.23 1wxx s ALA 291 N -3.15 1.34 -0.03 2.45 0.00 -1.26 -4.72 121.76 116.40 1wxx s ALA 291 Ca 0.09 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1wxx s ALA 291 Cb 0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1wxx s ALA 291 CO 0.63 0.19 -0.01 1.17 0.00 0.00 0.00 175.76 177.74 1wxx n LYS 292 N 3.45 1.83 -4.39 0.00 3.00 -1.26 -4.51 118.16 116.28 1wxx n LYS 292 Ca -0.20 0.01 -0.25 0.00 -0.00 0.00 0.00 58.31 57.87 1wxx n LYS 292 Cb 0.53 -1.06 -0.09 0.00 0.00 0.00 0.00 35.03 34.41 1wxx n LYS 292 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1wxx s GLY 293 N -3.78 1.77 0.53 3.14 0.00 -1.26 -4.88 107.32 102.83 1wxx s GLY 293 Ca -0.03 -1.71 0.35 0.00 0.00 0.00 0.00 44.72 43.34 1wxx s GLY 293 CO 0.08 -1.78 2.08 1.70 0.00 0.00 0.00 173.10 175.18 1wxx h LYS 294 N 2.41 0.00 0.00 2.90 3.64 -1.96 -1.75 116.57 121.81 1wxx h LYS 294 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1wxx h LYS 294 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1wxx h LYS 294 CO 0.57 0.00 -0.17 0.87 -2.27 0.00 0.00 179.45 178.45 1wxx h LYS 295 N 0.00 0.00 0.00 1.90 6.56 -2.00 -3.22 116.57 119.81 1wxx h LYS 295 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1wxx h LYS 295 Cb 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 1wxx h LYS 295 CO 0.00 0.00 -0.16 -0.25 -2.06 0.00 0.00 179.45 176.98 1wxx n ASP 296 N -2.69 0.40 -0.08 0.86 10.43 -0.66 -4.32 116.55 120.49 1wxx n ASP 296 Ca 0.04 0.36 -0.07 0.00 2.57 0.00 0.00 54.79 57.69 1wxx n ASP 296 Cb 0.49 -0.38 -0.01 0.00 1.84 0.00 0.00 41.12 43.06 1wxx n ASP 296 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1wxx h VAL 297 N 0.00 0.67 -0.43 2.53 2.07 -1.66 0.03 116.25 119.45 1wxx h VAL 297 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1wxx h VAL 297 Cb 0.60 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 1wxx h VAL 297 CO 0.00 0.00 0.02 -0.08 0.02 0.00 0.00 177.57 177.53 1wxx h GLU 298 N -0.02 0.13 0.00 1.57 4.22 -1.84 0.24 114.58 118.88 1wxx h GLU 298 Ca 0.15 -0.01 -0.13 0.00 0.08 0.00 0.00 59.36 59.45 1wxx h GLU 298 Cb 0.25 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1wxx h GLU 298 CO -0.32 0.09 -0.62 0.00 -2.18 0.00 0.00 179.01 175.98 1wxx h ARG 299 N 0.14 0.00 -0.42 1.92 3.08 -1.83 -3.21 114.38 114.05 1wxx h ARG 299 Ca 0.22 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.12 1wxx h ARG 299 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1wxx h ARG 299 CO -0.34 0.62 -0.29 0.00 -1.07 0.00 0.00 179.97 178.89 1wxx h ALA 300 N 1.38 0.68 -0.98 0.04 0.00 -0.14 -2.38 119.26 117.85 1wxx h ALA 300 Ca -0.01 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1wxx h ALA 300 Cb 1.42 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1wxx h ALA 300 CO 0.08 0.67 0.65 -0.92 0.00 0.00 0.00 179.25 179.73 1wxx h TYR 301 N 0.78 1.22 -0.33 0.00 3.20 -0.60 -0.12 116.97 121.12 1wxx h TYR 301 Ca 0.09 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 1wxx h TYR 301 Cb 0.87 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1wxx h TYR 301 CO 0.05 0.72 -0.22 -0.09 -1.64 0.00 0.00 178.16 176.99 1wxx h ARG 302 N 1.28 0.63 -0.22 1.82 2.43 -1.52 -0.71 114.38 118.08 1wxx h ARG 302 Ca 0.38 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 1wxx h ARG 302 Cb -0.05 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1wxx h ARG 302 CO -0.11 0.80 -0.23 0.00 -1.51 0.00 0.00 179.97 178.92 1wxx h ALA 303 N 1.21 0.32 -0.42 2.80 0.00 -0.83 -2.13 119.26 120.20 1wxx h ALA 303 Ca 0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1wxx h ALA 303 Cb 0.68 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1wxx h ALA 303 CO 0.05 0.28 0.17 1.88 0.00 0.00 0.00 179.25 181.63 1wxx h TYR 304 N 0.22 0.63 -0.61 0.00 0.05 -0.93 -2.57 116.97 113.76 1wxx h TYR 304 Ca 0.03 -0.05 0.03 0.00 0.05 0.00 0.00 58.73 58.80 1wxx h TYR 304 Cb 0.79 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 38.29 1wxx h TYR 304 CO 0.08 0.55 0.36 -0.22 -1.05 0.00 0.00 178.16 177.88 1wxx h LYS 305 N 0.53 0.68 -0.28 4.88 3.64 -1.08 -1.09 116.57 123.85 1wxx h LYS 305 Ca 0.14 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1wxx h LYS 305 Cb 0.18 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1wxx h LYS 305 CO -0.01 0.45 0.13 1.49 -2.27 0.00 0.00 179.45 179.24 1wxx h GLU 306 N 0.70 0.41 -0.32 1.90 4.81 -1.19 0.21 114.58 121.12 1wxx h GLU 306 Ca 0.25 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1wxx h GLU 306 Cb 0.05 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1wxx h GLU 306 CO -0.12 0.40 -0.23 -0.24 -0.73 0.00 0.00 179.01 178.10 1wxx h VAL 307 N 0.32 1.27 -0.16 0.32 3.04 -1.27 -0.99 116.25 118.78 1wxx h VAL 307 Ca 0.10 -1.28 -0.17 0.00 -1.01 0.00 0.00 66.70 64.34 1wxx h VAL 307 Cb 0.13 1.27 -0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1wxx h VAL 307 CO -0.01 0.42 -0.60 0.78 -1.01 0.00 0.00 177.57 177.14 1wxx h ASN 308 N 0.53 0.60 -0.38 3.17 4.21 -0.97 -1.64 115.58 121.10 1wxx h ASN 308 Ca 0.08 -0.34 -0.04 0.00 1.21 0.00 0.00 56.30 57.21 1wxx h ASN 308 Cb 0.68 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.69 1wxx h ASN 308 CO 0.05 1.06 0.08 0.25 -1.29 0.00 0.00 177.43 177.58 1wxx h LEU 309 N 0.40 0.59 -0.64 1.61 5.85 -0.33 -1.39 115.31 121.39 1wxx h LEU 309 Ca -0.00 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 1wxx h LEU 309 Cb 1.15 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1wxx h LEU 309 CO 0.11 0.68 0.16 0.03 -0.34 0.00 0.00 178.44 179.08 1wxx h ARG 310 N 0.48 1.03 -0.47 1.25 -0.00 -1.12 -2.51 114.38 113.03 1wxx h ARG 310 Ca 0.12 -0.25 -0.04 0.00 -0.50 0.00 0.00 59.98 59.32 1wxx h ARG 310 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 29.97 30.14 1wxx h ARG 310 CO 0.00 0.93 0.16 0.00 0.00 0.00 0.00 179.97 181.06 1wxx h ALA 311 N 1.06 0.62 -0.86 0.04 0.00 -1.17 -2.81 119.26 116.13 1wxx h ALA 311 Ca 0.20 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1wxx h ALA 311 Cb 0.36 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1wxx h ALA 311 CO 0.00 0.26 0.57 0.82 0.00 0.00 0.00 179.25 180.91 1wxx h ILE 312 N 0.63 1.21 0.00 0.00 2.04 -1.11 -1.64 117.51 118.64 1wxx h ILE 312 Ca 0.15 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1wxx h ILE 312 Cb 0.26 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1wxx h ILE 312 CO -0.01 0.21 0.00 0.11 0.00 0.00 0.00 178.15 178.46 1wxx h LYS 313 N 1.16 0.00 0.00 2.37 1.57 -1.20 -2.79 116.57 117.68 1wxx h LYS 313 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1wxx h LYS 313 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1wxx h LYS 313 CO -0.07 0.00 -0.30 1.28 -0.57 0.00 0.00 179.45 179.79 1wxx n LEU 314 N -3.07 0.34 -4.78 2.94 4.77 -0.62 -4.91 117.00 111.67 1wxx n LEU 314 Ca -0.00 0.24 -0.39 0.00 -0.03 0.00 0.00 56.01 55.83 1wxx n LEU 314 Cb 0.26 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1wxx n LEU 314 CO 0.26 0.05 0.37 -0.76 -1.33 0.00 0.00 177.39 175.97 1wxx s LEU 315 N -3.18 4.52 0.80 2.23 1.43 -1.05 -0.16 118.68 123.27 1wxx s LEU 315 Ca 0.12 1.39 -0.12 0.00 -1.03 0.00 0.00 54.13 54.49 1wxx s LEU 315 Cb 0.17 -3.07 0.07 0.00 0.03 0.00 0.00 46.19 43.40 1wxx s LEU 315 CO 0.63 0.19 1.15 -0.54 0.23 0.00 0.00 176.35 178.02 1wxx s LYS 316 N -0.83 2.03 0.34 1.70 1.02 -0.69 -4.87 119.74 118.44 1wxx s LYS 316 Ca 0.33 0.25 -0.29 0.00 0.02 0.00 0.00 55.97 56.28 1wxx s LYS 316 Cb -0.21 -1.95 -0.11 0.00 -0.52 0.00 0.00 37.83 35.05 1wxx s LYS 316 CO 0.21 -1.58 1.50 -2.00 -0.92 0.00 0.00 175.35 172.57 1wxx s GLU 317 N -5.46 4.14 0.00 1.68 2.12 -1.26 -0.34 118.70 119.59 1wxx s GLU 317 Ca 0.61 2.53 0.00 0.00 0.36 0.00 0.00 54.97 58.47 1wxx s GLU 317 Cb -0.12 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.27 1wxx s GLU 317 CO 0.51 -0.53 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 1wxx n GLY 318 N 1.11 1.25 3.74 -1.50 0.00 0.97 -5.00 105.19 105.77 1wxx n GLY 318 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1wxx n GLY 318 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wxx s GLY 319 N -1.80 2.68 -0.15 -0.02 0.00 0.54 -4.57 107.32 103.99 1wxx s GLY 319 Ca 0.00 1.04 -0.03 0.00 0.00 0.00 0.00 44.72 45.72 1wxx s GLY 319 CO 0.00 1.44 -0.04 -0.42 0.00 0.00 0.00 173.10 174.08 1wxx s ILE 320 N -1.63 3.86 -0.20 0.90 -1.09 -0.40 -0.45 121.20 122.18 1wxx s ILE 320 Ca 0.78 -0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 58.81 1wxx s ILE 320 Cb -0.32 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 1wxx s ILE 320 CO 0.38 0.50 -0.10 -0.22 -1.23 0.00 0.00 174.94 174.27 1wxx s LEU 321 N 0.29 2.60 -0.28 2.97 2.96 -0.09 -0.96 118.68 126.16 1wxx s LEU 321 Ca -0.04 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 1wxx s LEU 321 Cb -0.14 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.94 1wxx s LEU 321 CO 0.03 -0.01 0.01 0.00 -1.32 0.00 0.00 176.35 175.06 1wxx s ALA 322 N 1.39 2.88 0.03 5.97 0.00 -0.34 -0.52 121.76 131.18 1wxx s ALA 322 Ca 0.05 -1.53 0.06 0.00 0.00 0.00 0.00 51.96 50.54 1wxx s ALA 322 Cb -0.14 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 1wxx s ALA 322 CO -0.07 -0.98 -0.16 -0.08 0.00 0.00 0.00 175.76 174.47 1wxx s THR 323 N 1.38 1.30 0.17 0.00 -1.32 -0.09 -0.39 115.64 116.69 1wxx s THR 323 Ca -0.00 -0.98 -0.05 0.00 -1.21 0.00 0.00 61.69 59.45 1wxx s THR 323 Cb -0.18 -1.14 -0.03 0.00 -1.51 0.00 0.00 72.50 69.65 1wxx s THR 323 CO -0.01 0.14 0.20 0.00 -2.21 0.00 0.00 174.62 172.74 1wxx s ALA 324 N -0.73 0.51 -0.13 11.08 0.00 -0.50 -1.15 121.76 130.85 1wxx s ALA 324 Ca 0.04 -1.26 -0.09 0.00 0.00 0.00 0.00 51.96 50.65 1wxx s ALA 324 Cb -0.08 1.02 0.04 0.00 0.00 0.00 0.00 23.12 24.10 1wxx s ALA 324 CO 0.01 -0.61 0.32 0.45 0.00 0.00 0.00 175.76 175.93 1wxx s SER 325 N -3.04 -0.35 -0.14 0.00 0.15 -0.70 -4.41 113.70 105.21 1wxx s SER 325 Ca 0.25 0.66 0.16 0.00 0.70 0.00 0.00 55.95 57.72 1wxx s SER 325 Cb 0.05 0.61 0.41 0.00 -1.71 0.00 0.00 66.02 65.38 1wxx s SER 325 CO 0.05 -0.14 1.31 0.00 1.20 0.00 0.00 173.24 175.65 1wxx s SER 327 N -2.13 6.53 0.23 0.00 0.01 -1.21 -4.69 113.70 112.44 1wxx s SER 327 Ca 0.36 0.36 -0.07 0.00 1.31 0.00 0.00 55.95 57.91 1wxx s SER 327 Cb 0.29 -2.37 0.28 0.00 0.21 0.00 0.00 66.02 64.44 1wxx s SER 327 CO 0.07 -0.63 1.85 -0.74 0.41 0.00 0.00 173.24 174.20 1wxx h HIS 328 N 8.36 0.92 -0.02 2.43 2.76 -1.79 -3.40 115.15 124.41 1wxx h HIS 328 Ca -0.25 0.03 -0.64 0.00 -2.20 0.00 0.00 60.37 57.30 1wxx h HIS 328 Cb 1.10 -0.30 0.04 0.00 1.55 0.00 0.00 27.41 29.81 1wxx h HIS 328 CO 0.77 0.48 2.29 0.72 -1.30 0.00 0.00 177.93 180.90 1wxx n HIS 329 N -4.64 1.97 -3.55 5.26 8.25 -1.26 -4.84 115.22 116.41 1wxx n HIS 329 Ca 0.11 -1.84 -0.09 0.00 -0.26 0.00 0.00 57.72 55.63 1wxx n HIS 329 Cb 0.15 -1.77 -0.02 0.00 1.12 0.00 0.00 29.99 29.46 1wxx n HIS 329 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1wxx s THR 331 N 5.14 0.00 0.22 1.59 -4.23 -1.26 -4.95 115.64 112.15 1wxx s THR 331 Ca 0.57 -0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 60.79 1wxx s THR 331 Cb 0.14 -1.26 0.16 0.00 1.34 0.00 0.00 72.50 72.88 1wxx s THR 331 CO 0.11 0.00 1.81 -0.08 -0.54 0.00 0.00 174.62 175.92 1wxx h GLU 332 N 2.00 0.69 -0.64 3.99 4.81 -1.94 0.97 114.58 124.47 1wxx h GLU 332 Ca -0.27 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1wxx h GLU 332 Cb 1.27 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 1wxx h GLU 332 CO 0.32 0.46 0.36 -1.35 -0.73 0.00 0.00 179.01 178.07 1wxx h PRO 333 N 0.71 0.88 -0.46 0.92 0.11 -2.00 -1.66 132.00 130.49 1wxx h PRO 333 Ca 0.32 -0.10 -0.11 0.00 0.11 0.00 0.00 66.00 66.23 1wxx h PRO 333 Cb 0.22 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1wxx h PRO 333 CO -0.20 0.65 -0.14 -0.07 -0.21 0.00 0.00 178.00 178.04 1wxx h LEU 334 N 0.87 0.87 0.05 2.35 3.38 -1.79 -1.59 115.31 119.44 1wxx h LEU 334 Ca 0.23 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wxx h LEU 334 Cb 0.02 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1wxx h LEU 334 CO -0.04 1.01 -0.02 0.15 0.09 0.00 0.00 178.44 179.63 1wxx h PHE 335 N 0.77 -0.06 0.00 1.13 3.57 -0.53 -2.96 116.94 118.87 1wxx h PHE 335 Ca 0.12 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1wxx h PHE 335 Cb 0.66 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1wxx h PHE 335 CO 0.04 0.04 -0.41 1.88 -2.23 0.00 0.00 178.31 177.62 1wxx h TYR 336 N -0.14 0.00 0.00 0.41 0.05 -1.27 -1.60 116.97 114.42 1wxx h TYR 336 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1wxx h TYR 336 Cb 0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1wxx h TYR 336 CO -0.05 0.41 0.00 0.00 -1.05 0.00 0.00 178.16 177.47 1wxx n ALA 337 N -2.36 1.94 0.00 3.88 0.00 -0.60 -2.04 120.51 121.34 1wxx n ALA 337 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1wxx n ALA 337 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1wxx n ALA 337 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wxx n VAL 339 N 0.55 0.00 -0.20 0.00 0.31 -0.60 -1.23 118.33 117.16 1wxx n VAL 339 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1wxx n VAL 339 Cb 0.22 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.17 1wxx n VAL 339 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wxx h ALA 340 N 0.00 0.74 -0.63 3.52 0.00 -1.68 -1.15 119.26 120.06 1wxx h ALA 340 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1wxx h ALA 340 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1wxx h ALA 340 CO 0.00 0.32 0.36 0.93 0.00 0.00 0.00 179.25 180.86 1wxx h GLU 341 N 0.78 0.88 -0.58 0.00 5.08 -1.44 -0.54 114.58 118.76 1wxx h GLU 341 Ca 0.19 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1wxx h GLU 341 Cb 0.15 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1wxx h GLU 341 CO -0.02 0.65 0.35 0.00 -1.00 0.00 0.00 179.01 178.99 1wxx h ALA 342 N 1.18 0.74 -0.44 3.43 0.00 -1.75 -0.27 119.26 122.16 1wxx h ALA 342 Ca 0.22 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1wxx h ALA 342 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1wxx h ALA 342 CO -0.04 0.22 0.03 0.00 0.00 0.00 0.00 179.25 179.47 1wxx h ALA 343 N 1.18 0.58 -0.59 0.00 0.00 -0.91 -0.98 119.26 118.55 1wxx h ALA 343 Ca 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1wxx h ALA 343 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1wxx h ALA 343 CO -0.04 0.34 0.27 1.96 0.00 0.00 0.00 179.25 181.78 1wxx h GLN 344 N 0.59 0.86 0.00 0.00 4.20 -0.83 -1.26 115.11 118.67 1wxx h GLN 344 Ca 0.13 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1wxx h GLN 344 Cb 0.44 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1wxx h GLN 344 CO 0.02 0.71 -0.37 -0.44 -0.67 0.00 0.00 178.83 178.07 1wxx h ASP 345 N 0.80 0.00 0.56 1.46 3.32 -0.90 -2.58 116.42 119.08 1wxx h ASP 345 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1wxx h ASP 345 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1wxx h ASP 345 CO -0.02 0.37 -0.16 0.00 -1.72 0.00 0.00 179.24 177.71 1wxx n ALA 346 N -2.46 2.81 -3.55 3.45 0.00 -0.38 -4.93 120.51 115.45 1wxx n ALA 346 Ca -0.02 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.96 1wxx n ALA 346 Cb 0.41 -1.33 0.08 0.00 0.00 0.00 0.00 19.45 18.61 1wxx n ALA 346 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1wxx n HIS 347 N -1.21 -2.74 -4.85 0.00 8.25 -0.54 -4.98 115.22 109.14 1wxx n HIS 347 Ca 0.11 0.98 -0.27 0.00 -0.26 0.00 0.00 57.72 58.27 1wxx n HIS 347 Cb 0.30 -4.94 -0.17 0.00 1.12 0.00 0.00 29.99 26.31 1wxx n HIS 347 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1wxx s ARG 348 N -6.18 2.17 -0.21 -0.41 1.81 -0.81 -5.06 118.95 110.26 1wxx s ARG 348 Ca 0.51 -0.61 -0.21 0.00 -1.72 0.00 0.00 55.73 53.70 1wxx s ARG 348 Cb -0.23 -1.74 -0.02 0.00 -0.45 0.00 0.00 34.95 32.52 1wxx s ARG 348 CO 0.71 0.12 0.67 -1.17 -0.68 0.00 0.00 175.30 174.95 1wxx s LEU 349 N 0.43 4.12 -0.15 2.53 2.96 -1.26 -4.51 118.68 122.81 1wxx s LEU 349 Ca -0.14 0.86 -0.02 0.00 -0.22 0.00 0.00 54.13 54.60 1wxx s LEU 349 Cb -0.16 -2.94 -0.02 0.00 0.50 0.00 0.00 46.19 43.57 1wxx s LEU 349 CO 0.05 -0.33 -0.07 -0.76 -1.32 0.00 0.00 176.35 173.92 1wxx s LEU 350 N 2.15 3.00 -0.01 -0.68 1.43 -1.26 -0.99 118.68 122.32 1wxx s LEU 350 Ca 0.30 -0.24 -0.18 0.00 -1.03 0.00 0.00 54.13 52.98 1wxx s LEU 350 Cb -0.16 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 1wxx s LEU 350 CO 0.10 0.14 0.51 -0.60 0.23 0.00 0.00 176.35 176.73 1wxx s ARG 351 N 0.49 4.19 -0.43 1.70 3.52 0.12 -4.88 118.95 123.66 1wxx s ARG 351 Ca -0.06 0.58 -0.28 0.00 -0.13 0.00 0.00 55.73 55.84 1wxx s ARG 351 Cb -0.15 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 29.96 1wxx s ARG 351 CO 0.03 0.47 1.06 0.08 -0.81 0.00 0.00 175.30 176.13 1wxx s VAL 352 N -0.45 4.37 -0.12 7.11 1.01 -1.26 -1.22 120.40 129.84 1wxx s VAL 352 Ca 0.27 1.25 -0.24 0.00 0.00 0.00 0.00 61.98 63.26 1wxx s VAL 352 Cb -0.17 -4.50 -0.27 0.00 0.00 0.00 0.00 36.38 31.44 1wxx s VAL 352 CO 0.15 -0.80 0.70 0.58 0.00 0.00 0.00 175.10 175.72 1wxx h VAL 353 N 6.04 1.47 -1.89 2.92 2.07 -1.09 -3.49 116.25 122.29 1wxx h VAL 353 Ca -0.23 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 64.89 1wxx h VAL 353 Cb 1.07 3.07 -0.22 0.00 -1.52 0.00 0.00 31.29 33.69 1wxx h VAL 353 CO 1.07 0.62 0.23 -0.70 0.02 0.00 0.00 177.57 178.81 1wxx s GLU 354 N -2.34 0.79 -0.26 1.57 2.12 -0.95 -4.98 118.70 114.65 1wxx s GLU 354 Ca -0.19 0.76 -0.02 0.00 0.36 0.00 0.00 54.97 55.88 1wxx s GLU 354 Cb 0.01 0.38 0.03 0.00 0.26 0.00 0.00 34.13 34.80 1wxx s GLU 354 CO 0.73 -0.13 -0.04 0.15 -0.54 0.00 0.00 175.26 175.43 1wxx s LYS 355 N 0.03 2.84 0.07 4.30 1.02 -1.26 -0.57 119.74 126.16 1wxx s LYS 355 Ca -0.01 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.00 1wxx s LYS 355 Cb -0.04 -3.04 -0.00 0.00 -0.52 0.00 0.00 37.83 34.23 1wxx s LYS 355 CO 0.01 -0.42 0.02 0.54 -0.92 0.00 0.00 175.35 174.58 1wxx n ARG 356 N 4.69 1.14 0.00 1.68 1.74 0.17 -5.01 116.66 121.07 1wxx n ARG 356 Ca -0.16 -0.53 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 1wxx n ARG 356 Cb 0.47 0.25 0.00 0.00 -1.02 0.00 0.00 32.46 32.16 1wxx n ARG 356 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wxx n GLY 357 N 2.49 1.50 3.75 -0.13 0.00 -1.26 -2.14 105.19 109.39 1wxx n GLY 357 Ca -0.02 0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1wxx n GLY 357 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wxx s GLN 358 N 3.81 4.81 0.93 1.61 -0.21 -1.25 -4.81 119.66 124.55 1wxx s GLN 358 Ca 0.00 1.46 -0.13 0.00 0.02 0.00 0.00 55.36 56.71 1wxx s GLN 358 Cb 0.00 -3.30 0.15 0.00 1.00 0.00 0.00 33.01 30.86 1wxx s GLN 358 CO 0.00 0.46 1.14 -1.25 -2.12 0.00 0.00 175.29 173.52 1wxx s PRO 359 N -0.92 0.98 0.50 2.91 0.04 -1.26 -4.91 135.00 132.34 1wxx s PRO 359 Ca 0.42 0.26 0.24 0.00 0.04 0.00 0.00 61.00 61.95 1wxx s PRO 359 Cb -0.25 -1.82 1.31 0.00 0.04 0.00 0.00 34.50 33.77 1wxx s PRO 359 CO 0.31 -2.30 1.94 0.27 0.04 0.00 0.00 177.00 177.26 1wxx h PHE 360 N -1.57 0.17 -0.01 0.56 -0.00 -1.99 -1.23 116.94 112.86 1wxx h PHE 360 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.47 1wxx h PHE 360 Cb 1.33 -0.05 0.00 0.00 -0.00 0.00 0.00 35.95 37.22 1wxx h PHE 360 CO 0.13 0.06 0.00 -0.40 -0.00 0.00 0.00 178.31 178.10 1wxx n ASP 361 N -4.39 0.20 -3.15 -0.68 3.85 -1.26 -3.60 116.55 107.53 1wxx n ASP 361 Ca 0.14 -1.30 -0.25 0.00 -0.71 0.00 0.00 54.79 52.67 1wxx n ASP 361 Cb 0.68 -0.01 -0.05 0.00 -1.35 0.00 0.00 41.12 40.39 1wxx n ASP 361 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1wxx n HIS 362 N -0.73 2.56 -1.62 2.11 8.25 -0.46 -4.60 115.22 120.73 1wxx n HIS 362 Ca 0.18 -3.94 -0.44 0.00 -0.26 0.00 0.00 57.72 53.26 1wxx n HIS 362 Cb 0.11 -0.47 -0.01 0.00 1.12 0.00 0.00 29.99 30.74 1wxx n HIS 362 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1wxx n PRO 363 N 0.35 1.57 -4.90 -0.41 -0.04 -1.24 -4.64 135.00 125.70 1wxx n PRO 363 Ca 0.28 0.55 -0.33 0.00 -0.04 0.00 0.00 63.50 63.97 1wxx n PRO 363 Cb 0.47 -2.00 -0.14 0.00 -0.04 0.00 0.00 33.50 31.80 1wxx n PRO 363 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wxx s VAL 364 N -1.09 2.99 -0.16 0.52 1.01 -1.26 -4.42 120.40 117.98 1wxx s VAL 364 Ca 0.58 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1wxx s VAL 364 Cb -0.65 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1wxx s VAL 364 CO 0.60 0.58 -0.03 -0.76 0.00 0.00 0.00 175.10 175.49 1wxx s LEU 365 N -0.49 3.28 0.27 3.92 1.43 -1.26 -5.01 118.68 120.82 1wxx s LEU 365 Ca 0.06 -0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1wxx s LEU 365 Cb -0.12 -1.80 0.35 0.00 0.03 0.00 0.00 46.19 44.65 1wxx s LEU 365 CO 0.02 0.15 1.81 0.25 0.23 0.00 0.00 176.35 178.80 1wxx h LEU 366 N 6.84 0.82 -0.03 1.79 5.85 -1.98 -2.81 115.31 125.79 1wxx h LEU 366 Ca -0.32 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1wxx h LEU 366 Cb 1.19 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1wxx h LEU 366 CO 0.63 0.81 0.00 0.59 -0.34 0.00 0.00 178.44 180.13 1wxx n ASN 367 N -4.26 0.26 -3.64 1.25 4.13 -1.26 -4.24 115.26 107.49 1wxx n ASN 367 Ca 0.04 0.53 -0.27 0.00 1.68 0.00 0.00 54.58 56.56 1wxx n ASN 367 Cb 0.23 -0.60 -0.11 0.00 -1.54 0.00 0.00 39.78 37.77 1wxx n ASN 367 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1wxx n HIS 368 N -1.74 1.67 -0.33 3.10 -0.00 -1.06 -4.07 115.22 112.79 1wxx n HIS 368 Ca 0.06 -3.91 0.26 0.00 0.46 0.00 0.00 57.72 54.59 1wxx n HIS 368 Cb 0.35 -0.30 0.50 0.00 -0.12 0.00 0.00 29.99 30.41 1wxx n HIS 368 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1wxx h PRO 369 N 5.26 0.14 0.00 1.57 0.11 -1.74 -1.48 132.00 135.86 1wxx h PRO 369 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1wxx h PRO 369 Cb 0.80 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1wxx h PRO 369 CO 0.60 0.09 0.06 0.39 -0.21 0.00 0.00 178.00 178.93 1wxx n GLU 370 N -5.19 0.09 0.17 1.05 4.71 -1.26 -1.05 120.64 119.15 1wxx n GLU 370 Ca 0.33 0.57 0.13 0.00 -0.01 0.00 0.00 57.16 58.18 1wxx n GLU 370 Cb 1.09 -1.84 0.36 0.00 -1.01 0.00 0.00 31.44 30.03 1wxx n GLU 370 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 1wxx h THR 371 N 0.00 0.00 -3.62 2.62 1.35 -1.57 -3.42 112.91 108.27 1wxx h THR 371 Ca 0.00 -0.64 -0.69 0.00 -0.55 0.00 0.00 66.41 64.53 1wxx h THR 371 Cb 0.11 1.61 -0.23 0.00 -1.73 0.00 0.00 68.15 67.91 1wxx h THR 371 CO 0.00 0.00 -0.53 -2.28 -0.25 0.00 0.00 175.52 172.46 1wxx s HIS 372 N -3.22 3.21 0.00 4.73 5.65 -0.22 -4.70 115.29 120.74 1wxx s HIS 372 Ca 0.08 -0.73 0.00 0.00 0.25 0.00 0.00 55.06 54.65 1wxx s HIS 372 Cb 0.09 -2.41 0.00 0.00 -1.18 0.00 0.00 32.58 29.08 1wxx s HIS 372 CO 0.59 -0.54 0.00 2.48 -0.65 0.00 0.00 174.74 176.62 1wxx n TYR 373 N 5.00 0.00 -3.77 3.88 0.18 -1.26 -4.70 117.16 116.49 1wxx n TYR 373 Ca -0.13 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.30 1wxx n TYR 373 Cb 0.48 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.35 1wxx n TYR 373 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1wxx s LEU 374 N -1.24 4.08 -0.05 -3.48 2.96 -1.26 -3.34 118.68 116.35 1wxx s LEU 374 Ca 0.00 0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 1wxx s LEU 374 Cb 0.00 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 1wxx s LEU 374 CO 0.00 0.15 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.43 1wxx s LYS 375 N 0.56 2.11 -0.08 1.98 3.01 -0.32 -3.96 119.74 123.05 1wxx s LYS 375 Ca 0.07 -0.74 -0.03 0.00 -1.01 0.00 0.00 55.97 54.25 1wxx s LYS 375 Cb -0.12 -1.82 0.05 0.00 -1.01 0.00 0.00 37.83 34.92 1wxx s LYS 375 CO 0.00 0.31 0.16 0.12 0.51 0.00 0.00 175.35 176.45 1wxx s PHE 376 N -0.08 -0.17 0.05 3.18 5.36 -0.91 -1.72 117.98 123.69 1wxx s PHE 376 Ca -0.03 0.58 0.03 0.00 -0.96 0.00 0.00 56.93 56.55 1wxx s PHE 376 Cb -0.12 -0.22 -0.02 0.00 -0.34 0.00 0.00 43.02 42.31 1wxx s PHE 376 CO 0.03 -0.25 -0.09 0.00 -1.46 0.00 0.00 175.22 173.45 1wxx s ALA 377 N 2.03 0.73 -0.07 11.12 0.00 -0.30 0.44 121.76 135.72 1wxx s ALA 377 Ca 0.00 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.21 1wxx s ALA 377 Cb -0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 1wxx s ALA 377 CO -0.06 0.04 -0.22 0.08 0.00 0.00 0.00 175.76 175.60 1wxx s VAL 378 N -1.28 1.85 0.17 0.00 1.01 0.26 -0.92 120.40 121.50 1wxx s VAL 378 Ca -0.07 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.01 1wxx s VAL 378 Cb -0.10 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1wxx s VAL 378 CO 0.01 0.52 -0.07 -0.36 0.00 0.00 0.00 175.10 175.20 1wxx s PHE 379 N 0.06 1.35 -0.03 5.22 0.40 0.33 -0.45 117.98 124.86 1wxx s PHE 379 Ca -0.08 -0.81 0.04 0.00 -0.60 0.00 0.00 56.93 55.47 1wxx s PHE 379 Cb -0.14 -0.72 -0.00 0.00 0.51 0.00 0.00 43.02 42.66 1wxx s PHE 379 CO 0.05 0.04 -0.15 -1.14 0.70 0.00 0.00 175.22 174.72 1wxx s GLN 380 N -3.79 1.49 -0.05 0.44 0.74 -0.36 -0.92 119.66 117.22 1wxx s GLN 380 Ca 0.20 -0.52 -0.30 0.00 0.05 0.00 0.00 55.36 54.80 1wxx s GLN 380 Cb 0.04 -1.33 -0.02 0.00 1.10 0.00 0.00 33.01 32.79 1wxx s GLN 380 CO 0.03 0.22 1.04 0.08 -0.55 0.00 0.00 175.29 176.11 1wxx s VAL 381 N 0.03 4.69 -2.94 1.34 1.01 0.40 -0.70 120.40 124.23 1wxx s VAL 381 Ca -0.02 1.95 0.24 0.00 0.00 0.00 0.00 61.98 64.15 1wxx s VAL 381 Cb -0.10 -4.25 0.23 0.00 0.00 0.00 0.00 36.38 32.26 1wxx s VAL 381 CO 0.01 0.06 1.32 0.18 0.00 0.00 0.00 175.10 176.68