#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 5.38 -0.18 0.55 -1.09 -0.23 -4.31 121.20 121.33 1wxx s ILE 3 Ca 0.00 0.24 -0.02 0.00 -2.23 0.00 0.00 60.65 58.64 1wxx s ILE 3 Cb 0.00 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1wxx s ILE 3 CO 0.00 0.41 -0.09 -1.10 -1.23 0.00 0.00 174.94 172.93 1wxx s GLN 4 N 0.56 3.38 0.31 2.79 -1.52 0.32 0.38 119.66 125.88 1wxx s GLN 4 Ca 0.09 -0.65 0.08 0.00 -1.95 0.00 0.00 55.36 52.93 1wxx s GLN 4 Cb -0.12 -2.82 -0.04 0.00 -0.22 0.00 0.00 33.01 29.81 1wxx s GLN 4 CO 0.00 -0.00 0.11 0.14 -0.25 0.00 0.00 175.29 175.29 1wxx s VAL 5 N 0.93 3.28 0.60 1.09 -7.23 -0.48 -0.43 120.40 118.16 1wxx s VAL 5 Ca -0.02 -1.72 -0.06 0.00 -1.81 0.00 0.00 61.98 58.37 1wxx s VAL 5 Cb -0.15 -2.98 0.13 0.00 0.56 0.00 0.00 36.38 33.94 1wxx s VAL 5 CO -0.00 -0.25 0.82 -0.46 -0.31 0.00 0.00 175.10 174.90 1wxx n ASN 6 N -1.09 0.51 -0.35 4.85 0.23 -0.36 -4.55 115.26 114.50 1wxx n ASN 6 Ca -0.04 -1.57 0.02 0.00 -0.53 0.00 0.00 54.58 52.46 1wxx n ASN 6 Cb 0.60 -0.59 0.17 0.00 -2.08 0.00 0.00 39.78 37.88 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 -1.21 1.33 -0.42 -2.53 0.00 -1.99 -0.89 119.26 113.55 1wxx h ALA 7 Ca -0.27 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1wxx h ALA 7 Cb 0.85 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1wxx h ALA 7 CO 0.23 0.38 -0.25 0.87 0.00 0.00 0.00 179.25 180.49 1wxx h LYS 8 N 1.11 0.91 -0.55 0.00 1.57 -1.93 -1.32 116.57 116.35 1wxx h LYS 8 Ca 0.42 -0.42 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1wxx h LYS 8 Cb 0.18 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1wxx h LYS 8 CO -0.18 1.07 0.04 0.78 -0.57 0.00 0.00 179.45 180.59 1wxx h GLY 9 N 0.73 0.97 0.98 3.86 0.00 -1.74 -2.11 103.07 105.76 1wxx h GLY 9 Ca 0.09 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1wxx h GLY 9 CO 0.07 0.60 0.26 0.00 0.00 0.00 0.00 176.54 177.47 1wxx h ALA 10 N 1.19 0.62 -0.65 3.60 0.00 -0.99 -2.24 119.26 120.80 1wxx h ALA 10 Ca 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1wxx h ALA 10 Cb 0.44 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1wxx h ALA 10 CO 0.02 0.16 0.37 0.00 0.00 0.00 0.00 179.25 179.80 1wxx h ALA 11 N 1.10 1.44 -0.14 0.00 0.00 -0.86 0.47 119.26 121.27 1wxx h ALA 11 Ca 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1wxx h ALA 11 Cb 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1wxx h ALA 11 CO -0.03 0.48 0.03 0.00 0.00 0.00 0.00 179.25 179.73 1wxx h ARG 12 N 0.90 0.23 -0.47 0.00 3.08 -0.97 -1.95 114.38 115.20 1wxx h ARG 12 Ca 0.23 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 1wxx h ARG 12 Cb -0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1wxx h ARG 12 CO -0.04 0.41 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.14 1wxx h LEU 13 N 0.01 0.79 -1.52 3.04 3.38 -1.05 -1.96 115.31 118.00 1wxx h LEU 13 Ca 0.04 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1wxx h LEU 13 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1wxx h LEU 13 CO 0.00 0.89 -0.23 -0.07 0.09 0.00 0.00 178.44 179.12 1wxx h LEU 14 N 0.74 0.00 -0.26 1.67 3.38 -0.80 -0.42 115.31 119.61 1wxx h LEU 14 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wxx h LEU 14 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1wxx h LEU 14 CO 0.03 0.23 -0.10 -1.54 0.09 0.00 0.00 178.44 177.14 1wxx n SER 15 N -3.75 0.51 -0.39 -0.43 3.41 -0.74 -4.93 113.62 107.30 1wxx n SER 15 Ca -0.01 -0.65 -0.04 0.00 -0.26 0.00 0.00 58.87 57.91 1wxx n SER 15 Cb 0.33 -0.06 -0.00 0.00 -0.26 0.00 0.00 64.21 64.22 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 -0.89 -0.28 -2.60 4.33 5.12 -0.17 -4.88 116.66 117.29 1wxx n ARG 16 Ca 0.15 0.26 -0.32 0.00 -1.93 0.00 0.00 57.85 56.01 1wxx n ARG 16 Cb 0.28 -3.95 -0.04 0.00 -1.16 0.00 0.00 32.46 27.59 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 -2.17 3.45 -1.45 -1.55 2.46 -0.78 -4.51 115.29 110.74 1wxx s HIS 17 Ca 0.00 1.33 0.24 0.00 0.47 0.00 0.00 55.06 57.10 1wxx s HIS 17 Cb 0.00 -2.68 0.25 0.00 -0.13 0.00 0.00 32.58 30.03 1wxx s HIS 17 CO 0.00 -0.25 1.24 1.28 -2.47 0.00 0.00 174.74 174.54 1wxx n LEU 18 N -1.38 1.14 -4.59 8.88 4.77 -1.26 -4.33 117.00 120.22 1wxx n LEU 18 Ca 0.05 -0.38 -0.34 0.00 -0.03 0.00 0.00 56.01 55.31 1wxx n LEU 18 Cb 0.54 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.43 1wxx n LEU 18 CO 0.46 0.24 -0.37 0.26 -1.33 0.00 0.00 177.39 176.64 1wxx s TRP 19 N -2.75 2.95 -0.07 -1.77 0.51 -1.26 -0.33 118.94 116.22 1wxx s TRP 19 Ca 0.15 0.03 -0.00 0.00 -2.12 0.00 0.00 56.10 54.17 1wxx s TRP 19 Cb 0.18 -1.71 0.02 0.00 -0.81 0.00 0.00 33.47 31.15 1wxx s TRP 19 CO 0.67 0.35 -0.04 0.08 -0.51 0.00 0.00 176.95 177.50 1wxx s VAL 20 N -0.84 0.60 0.48 4.03 1.01 -0.78 -4.82 120.40 120.08 1wxx s VAL 20 Ca 0.13 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 1wxx s VAL 20 Cb -0.11 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1wxx s VAL 20 CO 0.02 0.27 0.81 -0.36 0.00 0.00 0.00 175.10 175.85 1wxx s PHE 21 N 1.47 3.55 0.35 5.22 0.40 -1.26 -1.40 117.98 126.31 1wxx s PHE 21 Ca -0.02 0.92 0.14 0.00 -0.60 0.00 0.00 56.93 57.38 1wxx s PHE 21 Cb -0.13 -2.38 1.05 0.00 0.51 0.00 0.00 43.02 42.07 1wxx s PHE 21 CO -0.03 -0.30 1.69 -0.09 0.70 0.00 0.00 175.22 177.19 1wxx h ARG 22 N 0.36 0.38 0.00 0.44 2.43 -0.75 0.57 114.38 117.81 1wxx h ARG 22 Ca -0.47 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1wxx h ARG 22 Cb 1.20 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1wxx h ARG 22 CO 0.62 0.25 -0.00 0.07 -1.51 0.00 0.00 179.97 179.40 1wxx h ARG 23 N 0.39 0.00 -0.40 0.20 0.11 -1.94 -2.01 114.38 110.74 1wxx h ARG 23 Ca 0.70 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.78 1wxx h ARG 23 Cb 1.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.66 1wxx h ARG 23 CO -0.53 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.29 1wxx n ASP 24 N -3.16 3.25 -4.60 0.08 10.43 0.19 -4.88 116.55 117.86 1wxx n ASP 24 Ca -0.03 -1.93 -0.38 0.00 2.57 0.00 0.00 54.79 55.02 1wxx n ASP 24 Cb 0.08 -0.26 -0.10 0.00 1.84 0.00 0.00 41.12 42.68 1wxx n ASP 24 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1wxx s VAL 25 N -1.22 5.28 0.04 2.53 1.01 -0.76 -1.22 120.40 126.05 1wxx s VAL 25 Ca 0.34 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.65 1wxx s VAL 25 Cb 0.19 -3.57 -0.24 0.00 0.00 0.00 0.00 36.38 32.76 1wxx s VAL 25 CO 0.26 0.23 0.97 -0.37 0.00 0.00 0.00 175.10 176.19 1wxx h VAL 26 N 5.36 1.29 -2.05 2.92 -1.51 -1.05 -3.48 116.25 117.74 1wxx h VAL 26 Ca -0.34 -3.02 -0.00 0.00 -1.23 0.00 0.00 66.70 62.11 1wxx h VAL 26 Cb 1.18 2.71 -0.19 0.00 -2.13 0.00 0.00 31.29 32.86 1wxx h VAL 26 CO 0.58 0.79 0.32 -0.94 -1.23 0.00 0.00 177.57 177.09 1wxx s SER 27 N -6.64 -0.54 0.15 4.19 1.04 -1.06 -5.01 113.70 105.82 1wxx s SER 27 Ca -0.04 0.47 -0.25 0.00 0.48 0.00 0.00 55.95 56.61 1wxx s SER 27 Cb 0.08 0.47 0.07 0.00 0.10 0.00 0.00 66.02 66.75 1wxx s SER 27 CO 0.83 -0.59 1.01 -0.83 0.98 0.00 0.00 173.24 174.65 1wxx s GLY 28 N -1.50 -0.14 0.89 7.32 0.00 -1.26 -0.52 107.32 112.10 1wxx s GLY 28 Ca -0.05 0.03 -0.13 0.00 0.00 0.00 0.00 44.72 44.56 1wxx s GLY 28 CO 0.03 0.75 0.67 -1.05 0.00 0.00 0.00 173.10 173.49 1wxx n PRO 29 N -0.54 -0.16 0.19 2.90 -0.02 -1.26 -4.93 135.00 131.17 1wxx n PRO 29 Ca -0.05 0.01 0.13 0.00 -2.02 0.00 0.00 63.50 61.56 1wxx n PRO 29 Cb 0.60 -2.02 0.27 0.00 -0.02 0.00 0.00 33.50 32.33 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 -1.34 0.00 -5.33 -0.52 4.39 -2.01 -3.43 114.58 106.34 1wxx h GLU 30 Ca -0.44 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 58.86 1wxx h GLU 30 Cb 1.29 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.77 1wxx h GLU 30 CO 0.38 0.00 -0.75 0.95 -1.16 0.00 0.00 179.01 178.43 1wxx s THR 31 N -3.20 1.28 0.94 1.13 -4.23 -1.26 -4.86 115.64 105.44 1wxx s THR 31 Ca 0.08 -1.77 -0.10 0.00 -1.18 0.00 0.00 61.69 58.71 1wxx s THR 31 Cb 0.07 -1.57 0.16 0.00 1.34 0.00 0.00 72.50 72.50 1wxx s THR 31 CO 0.64 -0.48 1.13 -2.84 -0.54 0.00 0.00 174.62 172.53 1wxx s PRO 32 N -2.85 0.83 0.00 3.99 0.02 -1.26 -4.75 135.00 130.98 1wxx s PRO 32 Ca 0.10 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.57 1wxx s PRO 32 Cb -0.04 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.77 1wxx s PRO 32 CO 0.03 -2.73 0.00 0.41 -0.33 0.00 0.00 177.00 174.38 1wxx n GLY 33 N 0.22 -1.15 3.40 0.52 0.00 -0.31 -4.94 105.19 102.93 1wxx n GLY 33 Ca 0.11 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 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 3.52 0.06 0.99 1.43 -1.26 0.12 118.68 123.54 1wxx s LEU 34 Ca 0.00 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1wxx s LEU 34 Cb 0.00 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1wxx s LEU 34 CO 0.00 -0.08 0.05 -0.31 0.23 0.00 0.00 176.35 176.24 1wxx s TYR 35 N 1.57 0.37 0.52 0.29 2.02 -0.65 -4.93 117.35 116.52 1wxx s TYR 35 Ca 0.05 -0.85 -0.18 0.00 -0.37 0.00 0.00 57.07 55.72 1wxx s TYR 35 Cb -0.16 -0.26 -0.07 0.00 -0.40 0.00 0.00 41.96 41.07 1wxx s TYR 35 CO 0.03 -0.43 1.01 -2.14 -1.57 0.00 0.00 175.55 172.44 1wxx s PRO 36 N -3.75 3.80 -0.12 -1.71 0.02 -1.26 -1.01 135.00 130.97 1wxx s PRO 36 Ca 0.05 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.19 1wxx s PRO 36 Cb 0.06 -2.11 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 1wxx s PRO 36 CO -0.10 -0.41 -0.13 0.08 -0.33 0.00 0.00 177.00 176.11 1wxx s VAL 37 N -2.39 3.04 0.15 3.83 1.01 0.28 -1.06 120.40 125.26 1wxx s VAL 37 Ca 0.62 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 62.00 1wxx s VAL 37 Cb -0.13 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1wxx s VAL 37 CO 0.28 0.53 -0.17 -0.31 0.00 0.00 0.00 175.10 175.43 1wxx s TYR 38 N 0.19 1.70 -0.33 5.22 1.51 0.16 -0.40 117.35 125.40 1wxx s TYR 38 Ca -0.08 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 55.52 1wxx s TYR 38 Cb -0.15 -0.86 0.10 0.00 -0.11 0.00 0.00 41.96 40.94 1wxx s TYR 38 CO 0.05 0.27 0.05 -0.46 -1.11 0.00 0.00 175.55 174.35 1wxx s TRP 39 N -2.07 3.52 0.00 2.71 -0.00 -0.43 -1.38 118.94 121.30 1wxx s TRP 39 Ca 0.14 -2.84 0.00 0.00 -0.00 0.00 0.00 56.10 53.40 1wxx s TRP 39 Cb -0.05 -2.75 0.00 0.00 -0.00 0.00 0.00 33.47 30.66 1wxx s TRP 39 CO 0.05 -0.94 0.00 0.41 -0.00 0.00 0.00 176.95 176.48 1wxx n GLY 40 N 4.32 2.58 0.86 5.86 0.00 -1.26 -1.71 105.19 115.84 1wxx n GLY 40 Ca 0.03 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 13.14 2.20 -3.05 1.61 1.74 -1.26 -4.92 116.66 126.12 1wxx n ARG 41 Ca 0.00 -1.74 -0.41 0.00 -0.77 0.00 0.00 57.85 54.94 1wxx n ARG 41 Cb 0.00 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 29.92 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 -2.00 4.21 0.22 5.56 3.52 -0.70 -5.04 118.95 124.73 1wxx s ARG 42 Ca 0.30 0.71 -0.30 0.00 -0.13 0.00 0.00 55.73 56.32 1wxx s ARG 42 Cb 0.20 -3.60 -0.09 0.00 -1.56 0.00 0.00 34.95 29.90 1wxx s ARG 42 CO 0.31 -0.32 1.31 0.12 -0.81 0.00 0.00 175.30 175.91 1wxx s PHE 43 N 2.16 3.23 -0.08 5.12 5.36 -1.26 -1.31 117.98 131.20 1wxx s PHE 43 Ca 0.31 1.25 -0.02 0.00 -0.96 0.00 0.00 56.93 57.51 1wxx s PHE 43 Cb -0.16 -3.61 -0.04 0.00 -0.34 0.00 0.00 43.02 38.87 1wxx s PHE 43 CO 0.10 -1.87 -0.09 1.28 -1.46 0.00 0.00 175.22 173.19 1wxx n LEU 44 N 2.32 1.65 -3.81 6.12 4.77 0.47 -4.91 117.00 123.60 1wxx n LEU 44 Ca 0.05 0.04 0.01 0.00 -0.03 0.00 0.00 56.01 56.07 1wxx n LEU 44 Cb 0.43 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1wxx n LEU 44 CO 0.58 0.37 1.01 0.00 -1.33 0.00 0.00 177.39 178.02 1wxx s ALA 45 N -2.15 -2.16 -0.06 -1.18 0.00 -1.14 -4.55 121.76 110.52 1wxx s ALA 45 Ca -0.11 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.06 1wxx s ALA 45 Cb 0.04 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1wxx s ALA 45 CO 0.15 -1.09 0.06 -0.51 0.00 0.00 0.00 175.76 174.37 1wxx s LEU 46 N -3.36 3.85 0.11 0.00 1.43 -0.18 0.10 118.68 120.64 1wxx s LEU 46 Ca 0.21 0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.38 1wxx s LEU 46 Cb 0.01 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1wxx s LEU 46 CO -0.01 0.34 0.32 0.00 0.23 0.00 0.00 176.35 177.24 1wxx s ALA 47 N -1.04 -0.64 0.02 4.21 0.00 -0.18 -1.46 121.76 122.67 1wxx s ALA 47 Ca 0.17 -0.29 -0.23 0.00 0.00 0.00 0.00 51.96 51.61 1wxx s ALA 47 Cb -0.12 0.63 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 1wxx s ALA 47 CO 0.07 -0.60 0.70 -0.51 0.00 0.00 0.00 175.76 175.43 1wxx s LEU 48 N -2.83 4.43 0.07 0.00 1.02 -0.05 -1.64 118.68 119.68 1wxx s LEU 48 Ca 0.04 1.34 0.06 0.00 0.02 0.00 0.00 54.13 55.59 1wxx s LEU 48 Cb 0.03 -3.12 -0.03 0.00 0.02 0.00 0.00 46.19 43.09 1wxx s LEU 48 CO -0.11 0.04 -0.16 -0.47 0.02 0.00 0.00 176.35 175.66 1wxx s TYR 49 N -0.05 1.40 -0.16 0.29 5.04 0.12 -1.76 117.35 122.23 1wxx s TYR 49 Ca 0.36 -0.42 -0.04 0.00 -2.44 0.00 0.00 57.07 54.53 1wxx s TYR 49 Cb -0.20 -0.80 0.08 0.00 0.35 0.00 0.00 41.96 41.40 1wxx s TYR 49 CO 0.21 0.09 0.26 1.21 -1.34 0.00 0.00 175.55 175.98 1wxx s ASN 50 N -1.58 0.67 0.00 4.32 3.84 -0.95 -1.16 114.94 120.08 1wxx s ASN 50 Ca 0.02 0.29 0.23 0.00 0.21 0.00 0.00 52.86 53.61 1wxx s ASN 50 Cb -0.09 0.64 1.32 0.00 -0.55 0.00 0.00 41.25 42.57 1wxx s ASN 50 CO 0.02 -0.27 1.76 -0.81 -2.79 0.00 0.00 177.10 175.01 1wxx n PRO 51 N 5.34 0.61 -0.06 0.43 -0.04 -1.26 -3.41 135.00 136.61 1wxx n PRO 51 Ca -0.06 0.02 0.05 0.00 -0.04 0.00 0.00 63.50 63.48 1wxx n PRO 51 Cb 0.50 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.17 -4.42 0.54 8.25 -1.26 -5.04 115.22 112.38 1wxx n HIS 52 Ca 0.16 -0.19 -0.24 0.00 -0.26 0.00 0.00 57.72 57.18 1wxx n HIS 52 Cb 0.11 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.92 2.71 0.12 1.59 -4.23 -1.22 -5.01 115.64 108.68 1wxx s THR 53 Ca 0.16 -2.22 -0.14 0.00 -1.18 0.00 0.00 61.69 58.30 1wxx s THR 53 Cb 0.10 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 1wxx s THR 53 CO 0.14 -0.35 1.55 -0.78 -0.54 0.00 0.00 174.62 174.64 1wxx h ASP 54 N 2.33 0.72 -2.35 3.99 3.58 -1.94 -3.28 116.42 119.47 1wxx h ASP 54 Ca -0.42 -0.34 -0.70 0.00 0.42 0.00 0.00 57.03 55.99 1wxx h ASP 54 Cb 1.25 -0.20 -0.18 0.00 1.72 0.00 0.00 39.33 41.93 1wxx h ASP 54 CO 0.58 0.89 0.97 -0.22 -2.88 0.00 0.00 179.24 178.58 1wxx s LEU 55 N -9.34 5.07 0.05 2.28 2.96 -1.26 -0.13 118.68 118.30 1wxx s LEU 55 Ca -0.13 -2.31 -0.16 0.00 -0.22 0.00 0.00 54.13 51.31 1wxx s LEU 55 Cb 0.10 -2.40 -0.26 0.00 0.50 0.00 0.00 46.19 44.14 1wxx s LEU 55 CO 0.80 -0.97 1.13 0.00 -1.32 0.00 0.00 176.35 175.99 1wxx h ALA 56 N 8.36 0.06 -3.29 5.97 0.00 -1.61 -3.45 119.26 125.31 1wxx h ALA 56 Ca 0.20 -0.69 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 1wxx h ALA 56 Cb 0.98 0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.54 1wxx h ALA 56 CO 1.14 0.59 -0.82 0.08 0.00 0.00 0.00 179.25 180.24 1wxx s VAL 57 N -3.14 2.55 -0.32 0.00 1.01 -0.49 -2.23 120.40 117.78 1wxx s VAL 57 Ca -0.11 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1wxx s VAL 57 Cb 0.05 -2.04 0.10 0.00 0.00 0.00 0.00 36.38 34.50 1wxx s VAL 57 CO 0.90 0.54 0.09 -0.13 0.00 0.00 0.00 175.10 176.50 1wxx s ARG 58 N 0.48 0.84 0.46 2.72 0.52 -0.72 -1.87 118.95 121.38 1wxx s ARG 58 Ca -0.12 -1.22 -0.22 0.00 -0.52 0.00 0.00 55.73 53.64 1wxx s ARG 58 Cb -0.16 -2.19 -0.08 0.00 0.52 0.00 0.00 34.95 33.04 1wxx s ARG 58 CO 0.05 -0.98 1.09 0.00 0.02 0.00 0.00 175.30 175.48 1wxx s ALA 59 N 1.48 2.95 0.00 2.13 0.00 0.55 -0.87 121.76 128.00 1wxx s ALA 59 Ca 0.10 0.76 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 19.64 1wxx s ALA 59 CO -0.22 -0.43 0.05 2.48 0.00 0.00 0.00 175.76 177.64 1wxx n TYR 60 N -0.57 0.00 -3.73 0.00 0.18 -0.54 -4.74 117.16 107.76 1wxx n TYR 60 Ca 0.08 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.72 1wxx n TYR 60 Cb 0.50 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.36 1wxx n TYR 60 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1wxx s ARG 61 N -0.10 0.50 -0.28 -3.48 1.81 -1.21 -4.91 118.95 111.29 1wxx s ARG 61 Ca 0.00 0.50 0.09 0.00 -1.72 0.00 0.00 55.73 54.60 1wxx s ARG 61 Cb 0.00 0.24 0.47 0.00 -0.45 0.00 0.00 34.95 35.21 1wxx s ARG 61 CO 0.00 -0.07 1.37 1.19 -0.68 0.00 0.00 175.30 177.11 1wxx n PHE 62 N 2.69 0.96 -3.76 -0.53 3.72 -1.26 -1.01 117.46 118.26 1wxx n PHE 62 Ca -0.14 -1.69 -0.13 0.00 -0.05 0.00 0.00 57.45 55.44 1wxx n PHE 62 Cb 0.57 -0.42 -0.10 0.00 -0.94 0.00 0.00 39.48 38.59 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 -3.31 -0.79 0.76 4.37 0.00 -1.26 -4.82 121.76 116.71 1wxx s ALA 63 Ca 0.44 0.60 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 1wxx s ALA 63 Cb 0.40 -0.22 0.06 0.00 0.00 0.00 0.00 23.12 23.36 1wxx s ALA 63 CO -0.02 -0.21 1.19 -1.25 0.00 0.00 0.00 175.76 175.47 1wxx s PRO 64 N -0.62 1.98 -0.13 0.00 0.04 -1.26 -4.66 135.00 130.35 1wxx s PRO 64 Ca -0.07 1.70 -0.10 0.00 0.04 0.00 0.00 61.00 62.56 1wxx s PRO 64 Cb -0.04 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.72 1wxx s PRO 64 CO 0.02 -1.94 0.34 0.00 0.04 0.00 0.00 177.00 175.46 1wxx s ALA 65 N -2.13 -0.83 0.20 8.56 0.00 -1.26 -5.05 121.76 121.25 1wxx s ALA 65 Ca 0.72 1.08 -0.09 0.00 0.00 0.00 0.00 51.96 53.67 1wxx s ALA 65 Cb -0.27 -0.65 0.14 0.00 0.00 0.00 0.00 23.12 22.33 1wxx s ALA 65 CO 0.48 -0.19 1.79 0.93 0.00 0.00 0.00 175.76 178.76 1wxx h GLU 66 N 6.22 1.07 -4.68 0.00 5.08 -2.04 -3.38 114.58 116.85 1wxx h GLU 66 Ca -0.31 -0.16 -0.67 0.00 -1.00 0.00 0.00 59.36 57.21 1wxx h GLU 66 Cb 1.18 -0.19 -0.37 0.00 0.50 0.00 0.00 28.75 29.87 1wxx h GLU 66 CO 0.31 0.84 -0.68 0.34 -1.00 0.00 0.00 179.01 178.82 1wxx s ASP 67 N -6.17 4.87 0.24 1.42 -1.08 -1.26 -4.99 116.67 109.70 1wxx s ASP 67 Ca -0.13 -1.88 -0.06 0.00 -0.52 0.00 0.00 52.55 49.97 1wxx s ASP 67 Cb 0.15 -1.68 0.29 0.00 -1.46 0.00 0.00 42.92 40.22 1wxx s ASP 67 CO 0.81 -0.38 1.89 -0.65 0.52 0.00 0.00 175.17 177.37 1wxx h PRO 68 N 7.81 1.14 -0.40 4.34 0.11 -1.92 -1.46 132.00 141.62 1wxx h PRO 68 Ca -0.11 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.88 1wxx h PRO 68 Cb 1.04 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 1wxx h PRO 68 CO 0.56 0.75 0.06 0.28 -0.21 0.00 0.00 178.00 179.44 1wxx h VAL 69 N 1.17 1.24 -0.77 3.15 2.07 -1.94 -1.47 116.25 119.69 1wxx h VAL 69 Ca 0.37 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1wxx h VAL 69 Cb -0.00 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1wxx h VAL 69 CO -0.12 0.30 0.44 0.00 0.02 0.00 0.00 177.57 178.21 1wxx h ALA 70 N 0.92 1.32 -0.50 1.67 0.00 -1.90 -0.71 119.26 120.07 1wxx h ALA 70 Ca 0.12 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1wxx h ALA 70 Cb 0.37 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1wxx h ALA 70 CO 0.01 0.57 -0.09 0.00 0.00 0.00 0.00 179.25 179.74 1wxx h ALA 71 N 1.41 0.68 -0.34 0.00 0.00 -1.02 -0.49 119.26 119.51 1wxx h ALA 71 Ca 0.28 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1wxx h ALA 71 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1wxx h ALA 71 CO -0.05 0.57 0.05 1.25 0.00 0.00 0.00 179.25 181.07 1wxx h LEU 72 N 0.79 0.54 -1.65 0.00 5.85 -0.83 -1.99 115.31 118.01 1wxx h LEU 72 Ca 0.13 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1wxx h LEU 72 Cb 0.64 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1wxx h LEU 72 CO 0.04 0.67 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.65 1wxx h LEU 73 N 0.39 0.00 -0.26 2.25 3.38 -1.04 -1.68 115.31 118.35 1wxx h LEU 73 Ca 0.10 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 1wxx h LEU 73 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1wxx h LEU 73 CO 0.01 0.09 -0.66 -0.08 0.09 0.00 0.00 178.44 177.88 1wxx h GLU 74 N 0.00 0.79 -0.66 1.13 4.81 -0.64 -1.86 114.58 118.15 1wxx h GLU 74 Ca -0.00 -0.57 -0.03 0.00 -0.13 0.00 0.00 59.36 58.63 1wxx h GLU 74 Cb 0.47 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1wxx h GLU 74 CO 0.01 1.19 0.30 -0.91 -0.73 0.00 0.00 179.01 178.87 1wxx h ASN 75 N 0.57 0.85 -0.27 1.04 4.21 -0.60 -1.62 115.58 119.76 1wxx h ASN 75 Ca -0.02 -0.09 -0.02 0.00 1.21 0.00 0.00 56.30 57.38 1wxx h ASN 75 Cb 1.28 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 38.25 1wxx h ASN 75 CO 0.14 0.73 0.10 0.25 -1.29 0.00 0.00 177.43 177.36 1wxx h LEU 76 N 0.93 0.38 -0.95 1.61 5.85 -1.19 -1.38 115.31 120.55 1wxx h LEU 76 Ca 0.23 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1wxx h LEU 76 Cb 0.12 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1wxx h LEU 76 CO -0.03 0.45 0.62 0.00 -0.34 0.00 0.00 178.44 179.14 1wxx h ALA 77 N 0.94 1.27 -0.31 1.25 0.00 -0.84 -1.74 119.26 119.84 1wxx h ALA 77 Ca 0.09 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1wxx h ALA 77 Cb 0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1wxx h ALA 77 CO -0.01 0.46 -0.31 1.96 0.00 0.00 0.00 179.25 181.35 1wxx h GLN 78 N 1.17 0.65 -0.30 0.00 4.20 -1.06 -1.50 115.11 118.27 1wxx h GLN 78 Ca 0.39 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1wxx h GLN 78 Cb 0.05 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1wxx h GLN 78 CO -0.14 0.88 0.08 0.00 -0.67 0.00 0.00 178.83 178.99 1wxx h ALA 79 N 1.10 0.40 -0.37 3.87 0.00 -0.70 -2.61 119.26 120.94 1wxx h ALA 79 Ca 0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1wxx h ALA 79 Cb 0.81 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1wxx h ALA 79 CO 0.07 0.05 -0.00 -0.07 0.00 0.00 0.00 179.25 179.29 1wxx h LEU 80 N 0.33 0.55 -1.60 0.00 3.38 -1.23 -2.43 115.31 114.30 1wxx h LEU 80 Ca 0.10 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1wxx h LEU 80 Cb 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1wxx h LEU 80 CO -0.00 0.62 -0.18 0.00 0.09 0.00 0.00 178.44 178.97 1wxx h ALA 81 N 1.45 1.67 0.00 1.53 0.00 -0.99 -1.66 119.26 121.26 1wxx h ALA 81 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wxx h ALA 81 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wxx h ALA 81 CO 0.01 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1wxx h ARG 82 N 0.02 0.00 -0.03 0.00 3.08 -1.07 -2.64 114.38 113.74 1wxx h ARG 82 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wxx h ARG 82 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1wxx h ARG 82 CO 0.02 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.46 1wxx n ARG 83 N -2.81 1.16 -0.29 0.04 3.00 -0.65 -4.62 116.66 112.49 1wxx n ARG 83 Ca 0.00 -1.43 0.01 0.00 -0.01 0.00 0.00 57.85 56.43 1wxx n ARG 83 Cb 0.24 -1.30 0.15 0.00 0.00 0.00 0.00 32.46 31.55 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 3.01 0.82 -0.04 5.56 5.08 -1.18 -1.90 114.58 125.93 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 0.64 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1wxx h GLU 84 CO 0.00 0.55 0.03 0.00 -1.00 0.00 0.00 179.01 178.58 1wxx h ALA 85 N 1.42 0.05 -0.14 3.43 0.00 -1.82 -1.11 119.26 121.09 1wxx h ALA 85 Ca 0.37 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 1wxx h ALA 85 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1wxx h ALA 85 CO -0.21 -0.44 -0.44 -0.39 0.00 0.00 0.00 179.25 177.78 1wxx h VAL 86 N 0.04 1.32 -0.27 0.00 -1.51 -1.83 -2.41 116.25 111.59 1wxx h VAL 86 Ca 0.02 -1.60 -0.11 0.00 -1.23 0.00 0.00 66.70 63.77 1wxx h VAL 86 Cb 0.02 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1wxx h VAL 86 CO -0.00 0.49 -0.30 -0.07 -1.23 0.00 0.00 177.57 176.45 1wxx h LEU 87 N 0.28 0.57 -0.48 4.19 3.38 -1.20 0.20 115.31 122.25 1wxx h LEU 87 Ca 0.02 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1wxx h LEU 87 Cb 0.88 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1wxx h LEU 87 CO 0.07 0.84 -0.10 -0.09 0.09 0.00 0.00 178.44 179.25 1wxx h ARG 88 N 0.48 0.92 0.00 1.13 2.43 -0.98 -2.72 114.38 115.64 1wxx h ARG 88 Ca 0.06 -0.35 -0.22 0.00 -0.81 0.00 0.00 59.98 58.66 1wxx h ARG 88 Cb 0.76 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1wxx h ARG 88 CO 0.06 1.00 -1.36 -0.56 -1.51 0.00 0.00 179.97 177.60 1wxx h GLN 89 N 0.78 0.00 -2.12 0.20 3.07 -1.32 -3.40 115.11 112.32 1wxx h GLN 89 Ca 0.12 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.32 1wxx h GLN 89 Cb 0.65 0.00 -0.41 0.00 0.08 0.00 0.00 27.48 27.80 1wxx h GLN 89 CO 0.04 0.53 -0.91 -3.47 0.09 0.00 0.00 178.83 175.12 1wxx n ASP 90 N -3.08 2.29 0.25 0.06 2.03 0.70 -4.95 116.55 113.86 1wxx n ASP 90 Ca -0.09 -3.22 0.15 0.00 0.52 0.00 0.00 54.79 52.14 1wxx n ASP 90 Cb 0.94 -0.61 0.84 0.00 -0.72 0.00 0.00 41.12 41.56 1wxx n ASP 90 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wxx h PRO 91 N 3.39 0.00 -0.49 -0.67 0.13 -1.66 -1.60 132.00 131.10 1wxx h PRO 91 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1wxx h PRO 91 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1wxx h PRO 91 CO 0.64 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.50 1wxx n GLU 92 N -3.95 2.17 -1.76 0.86 2.13 -1.26 -3.63 120.64 115.20 1wxx n GLU 92 Ca -0.01 -1.74 -0.20 0.00 0.66 0.00 0.00 57.16 55.87 1wxx n GLU 92 Cb 0.18 -1.40 0.12 0.00 0.27 0.00 0.00 31.44 30.61 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 1.22 -0.38 3.11 8.31 0.00 -0.60 -1.25 105.19 115.60 1wxx n GLY 93 Ca 0.16 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 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 -4.82 1.42 0.02 -0.02 0.00 -1.26 -1.29 107.32 101.37 1wxx s GLY 94 Ca 0.54 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1wxx s GLY 94 CO 0.37 0.35 -0.04 -0.19 0.00 0.00 0.00 173.10 173.59 1wxx s TYR 95 N 1.27 0.33 -0.18 1.90 1.51 -0.44 -5.00 117.35 116.74 1wxx s TYR 95 Ca 0.03 -0.55 -0.20 0.00 -1.01 0.00 0.00 57.07 55.34 1wxx s TYR 95 Cb -0.14 -0.23 -0.03 0.00 -0.11 0.00 0.00 41.96 41.45 1wxx s TYR 95 CO -0.12 -0.18 0.58 0.50 -1.11 0.00 0.00 175.55 175.22 1wxx s ARG 96 N -1.57 4.23 -0.03 -0.62 3.52 -1.26 0.33 118.95 123.55 1wxx s ARG 96 Ca -0.14 0.54 0.08 0.00 -0.13 0.00 0.00 55.73 56.08 1wxx s ARG 96 Cb -0.09 -3.55 -0.24 0.00 -1.56 0.00 0.00 34.95 29.51 1wxx s ARG 96 CO -0.01 -0.15 0.71 -0.07 -0.81 0.00 0.00 175.30 174.96 1wxx h LEU 97 N 7.88 0.09 -7.44 -0.88 3.38 -0.92 -3.45 115.31 113.96 1wxx h LEU 97 Ca -0.34 -0.18 -0.35 0.00 0.09 0.00 0.00 57.88 57.11 1wxx h LEU 97 Cb 1.15 -0.03 -0.37 0.00 0.09 0.00 0.00 40.66 41.51 1wxx h LEU 97 CO 0.76 1.15 -0.74 -0.69 0.09 0.00 0.00 178.44 179.01 1wxx s VAL 98 N -2.61 0.01 -0.60 1.22 1.01 -0.92 -4.31 120.40 114.20 1wxx s VAL 98 Ca -0.07 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.22 1wxx s VAL 98 Cb 0.08 -0.19 0.37 0.00 0.00 0.00 0.00 36.38 36.63 1wxx s VAL 98 CO 0.82 0.16 1.19 1.57 0.00 0.00 0.00 175.10 178.83 1wxx n HIS 99 N 4.74 3.62 0.00 5.22 -0.00 -1.26 -1.47 115.22 126.07 1wxx n HIS 99 Ca -0.15 -3.41 0.00 0.00 0.46 0.00 0.00 57.72 54.62 1wxx n HIS 99 Cb 0.50 -0.49 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 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 -0.33 0.00 -0.27 1.57 0.00 0.36 -1.85 120.51 119.99 1wxx n ALA 100 Ca 0.37 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.90 1wxx n ALA 100 Cb 0.45 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.13 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 0.22 -0.46 0.00 3.07 -1.86 -0.48 114.58 115.07 1wxx h GLU 101 Ca 0.00 -0.01 0.13 0.00 -0.50 0.00 0.00 59.36 58.98 1wxx h GLU 101 Cb 0.00 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 1wxx h GLU 101 CO 0.00 0.14 0.42 0.78 -1.40 0.00 0.00 179.01 178.95 1wxx h GLY 102 N 0.22 0.00 -2.10 -3.84 0.00 -1.58 0.20 103.07 95.99 1wxx h GLY 102 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1wxx h GLY 102 CO -0.59 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.17 1wxx n ASP 103 N -3.94 3.95 -3.39 0.19 8.00 -0.33 -4.76 116.55 116.28 1wxx n ASP 103 Ca 0.08 -2.47 -0.24 0.00 0.71 0.00 0.00 54.79 52.87 1wxx n ASP 103 Cb 0.62 -0.46 0.04 0.00 -0.02 0.00 0.00 41.12 41.30 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 0.48 -2.78 -3.04 0.64 4.77 0.71 -4.87 117.00 112.91 1wxx n LEU 104 Ca 0.20 -0.46 -0.21 0.00 -0.03 0.00 0.00 56.01 55.52 1wxx n LEU 104 Cb 0.75 -2.84 -0.03 0.00 -2.33 0.00 0.00 43.42 38.97 1wxx n LEU 104 CO 0.17 0.40 -0.08 0.18 -1.33 0.00 0.00 177.39 176.73 1wxx n LEU 105 N -4.43 2.27 -4.58 2.23 4.77 -0.39 -4.75 117.00 112.13 1wxx n LEU 105 Ca -0.04 -5.16 -0.50 0.00 -0.03 0.00 0.00 56.01 50.29 1wxx n LEU 105 Cb 0.58 0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.84 1wxx n LEU 105 CO 0.58 2.26 0.74 -2.65 -1.33 0.00 0.00 177.39 176.99 1wxx n PRO 106 N 0.05 1.11 -0.78 3.23 -0.02 -1.25 -2.12 135.00 135.22 1wxx n PRO 106 Ca 0.26 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1wxx n PRO 106 Cb 0.58 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 2.09 0.76 2.96 -1.23 0.00 -1.26 -4.85 105.19 103.66 1wxx n GLY 107 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 1.65 -0.00 0.99 2.96 -0.90 -0.41 118.68 122.97 1wxx s LEU 108 Ca 0.00 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 1wxx s LEU 108 Cb 0.00 -0.51 -0.01 0.00 0.50 0.00 0.00 46.19 46.18 1wxx s LEU 108 CO 0.00 0.02 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.30 1wxx s VAL 109 N 0.43 0.48 -0.05 1.68 1.01 -0.73 -0.49 120.40 122.73 1wxx s VAL 109 Ca -0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1wxx s VAL 109 Cb -0.10 -0.41 0.04 0.00 0.00 0.00 0.00 36.38 35.90 1wxx s VAL 109 CO 0.01 0.12 0.10 -0.69 0.00 0.00 0.00 175.10 174.64 1wxx s VAL 110 N -0.18 -0.14 0.11 2.92 1.01 -0.54 -1.11 120.40 122.47 1wxx s VAL 110 Ca 0.02 0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.40 1wxx s VAL 110 Cb -0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 1wxx s VAL 110 CO -0.00 0.13 -0.11 -1.81 0.00 0.00 0.00 175.10 173.32 1wxx s ASP 111 N 1.82 4.35 -0.16 3.32 1.11 -0.58 -0.28 116.67 126.26 1wxx s ASP 111 Ca -0.01 -0.41 0.02 0.00 0.18 0.00 0.00 52.55 52.33 1wxx s ASP 111 Cb -0.12 -0.81 0.01 0.00 1.07 0.00 0.00 42.92 43.07 1wxx s ASP 111 CO -0.04 0.18 -0.20 -0.47 1.18 0.00 0.00 175.17 175.81 1wxx s TYR 112 N -1.21 2.72 -0.34 4.23 6.14 0.15 -0.45 117.35 128.58 1wxx s TYR 112 Ca 0.21 -1.40 0.03 0.00 0.64 0.00 0.00 57.07 56.54 1wxx s TYR 112 Cb -0.11 -1.86 0.10 0.00 0.42 0.00 0.00 41.96 40.51 1wxx s TYR 112 CO 0.13 -0.66 0.08 0.71 0.64 0.00 0.00 175.55 176.45 1wxx s TYR 113 N 0.98 3.13 -1.46 4.97 2.02 0.23 -1.33 117.35 125.89 1wxx s TYR 113 Ca -0.03 -2.66 -0.04 0.00 -0.37 0.00 0.00 57.07 53.98 1wxx s TYR 113 Cb -0.15 -2.57 0.00 0.00 -0.40 0.00 0.00 41.96 38.85 1wxx s TYR 113 CO -0.05 -0.92 0.21 0.00 -1.57 0.00 0.00 175.55 173.22 1wxx n ALA 114 N 4.33 -2.09 0.00 3.71 0.00 -0.41 -1.21 120.51 124.85 1wxx n ALA 114 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1wxx n ALA 114 Cb 0.41 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.34 0.59 3.27 0.00 0.00 -1.24 -4.87 105.19 100.60 1wxx n GLY 115 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.18 3.02 0.06 1.61 3.76 -0.35 0.20 115.29 121.42 1wxx s HIS 116 Ca 0.00 -1.20 -0.12 0.00 -0.15 0.00 0.00 55.06 53.59 1wxx s HIS 116 Cb 0.00 -2.11 -0.06 0.00 1.11 0.00 0.00 32.58 31.53 1wxx s HIS 116 CO 0.00 -0.63 0.42 0.00 -0.85 0.00 0.00 174.74 173.68 1wxx s ALA 117 N 1.42 3.70 -0.17 -1.40 0.00 -0.32 -0.61 121.76 124.38 1wxx s ALA 117 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1wxx s ALA 117 Cb -0.16 -2.34 0.04 0.00 0.00 0.00 0.00 23.12 20.66 1wxx s ALA 117 CO -0.03 0.52 -0.11 0.08 0.00 0.00 0.00 175.76 176.23 1wxx s VAL 118 N -1.30 1.52 -0.12 0.00 1.01 0.40 -0.38 120.40 121.53 1wxx s VAL 118 Ca 0.30 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1wxx s VAL 118 Cb -0.15 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1wxx s VAL 118 CO 0.17 0.26 0.13 -0.69 0.00 0.00 0.00 175.10 174.96 1wxx s VAL 119 N 1.47 5.38 -0.15 2.92 1.01 0.93 -1.52 120.40 130.44 1wxx s VAL 119 Ca 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 1wxx s VAL 119 Cb -0.15 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.93 1wxx s VAL 119 CO -0.09 0.61 -0.01 -1.10 0.00 0.00 0.00 175.10 174.52 1wxx s GLN 120 N -0.95 0.93 -0.16 2.72 -0.21 -0.27 -0.02 119.66 121.70 1wxx s GLN 120 Ca 0.14 -0.32 -0.04 0.00 0.02 0.00 0.00 55.36 55.16 1wxx s GLN 120 Cb -0.12 -1.78 -0.03 0.00 1.00 0.00 0.00 33.01 32.08 1wxx s GLN 120 CO 0.04 -0.48 -0.01 0.00 -2.12 0.00 0.00 175.29 172.72 1wxx s ALA 121 N 1.80 3.10 -0.03 6.09 0.00 -1.26 -1.77 121.76 129.70 1wxx s ALA 121 Ca 0.01 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.21 1wxx s ALA 121 Cb -0.15 -1.64 0.06 0.00 0.00 0.00 0.00 23.12 21.39 1wxx s ALA 121 CO -0.07 0.22 0.89 0.25 0.00 0.00 0.00 175.76 177.05 1wxx n THR 122 N 3.48 0.78 -4.69 0.00 -2.24 0.45 -4.89 114.28 107.17 1wxx n THR 122 Ca -0.17 -0.85 -0.26 0.00 -2.27 0.00 0.00 64.05 60.50 1wxx n THR 122 Cb 0.52 0.49 -0.17 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.97 1.44 0.25 6.98 0.00 -1.24 -4.76 121.76 123.46 1wxx s ALA 123 Ca 0.06 -0.52 -0.09 0.00 0.00 0.00 0.00 51.96 51.41 1wxx s ALA 123 Cb 0.05 -0.62 0.40 0.00 0.00 0.00 0.00 23.12 22.95 1wxx s ALA 123 CO 0.01 0.14 1.59 1.25 0.00 0.00 0.00 175.76 178.75 1wxx h HIS 124 N 6.94 -0.36 -0.78 0.00 2.76 -1.92 -1.44 115.15 120.36 1wxx h HIS 124 Ca -0.29 0.07 0.22 0.00 -2.20 0.00 0.00 60.37 58.18 1wxx h HIS 124 Cb 1.20 0.29 -0.03 0.00 1.55 0.00 0.00 27.41 30.41 1wxx h HIS 124 CO 0.48 -0.35 0.56 0.00 -1.30 0.00 0.00 177.93 177.33 1wxx h ALA 125 N 1.83 2.71 0.00 5.26 0.00 -1.89 -1.35 119.26 125.82 1wxx h ALA 125 Ca 0.41 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 1wxx h ALA 125 Cb 0.67 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1wxx h ALA 125 CO -0.84 -0.93 -0.38 -1.49 0.00 0.00 0.00 179.25 175.62 1wxx h TRP 126 N 0.02 0.00 -0.45 0.00 4.06 -1.63 -3.30 115.95 114.64 1wxx h TRP 126 Ca 0.37 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.39 1wxx h TRP 126 Cb 1.46 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.57 1wxx h TRP 126 CO -0.00 0.38 0.12 1.49 -3.56 0.00 0.00 178.44 176.87 1wxx h GLU 127 N 0.00 0.26 0.00 0.49 4.57 -1.36 -0.95 114.58 117.60 1wxx h GLU 127 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1wxx h GLU 127 Cb 0.88 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1wxx h GLU 127 CO 0.05 0.18 0.00 0.41 -1.18 0.00 0.00 179.01 178.46 1wxx n GLY 128 N -1.26 -1.35 1.02 1.92 0.00 -1.24 -2.84 105.19 101.44 1wxx n GLY 128 Ca 0.04 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1wxx n GLY 128 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wxx n LEU 129 N -2.06 3.14 -0.34 0.99 4.77 -0.42 -4.50 117.00 118.57 1wxx n LEU 129 Ca 0.04 -1.14 0.11 0.00 -0.03 0.00 0.00 56.01 54.98 1wxx n LEU 129 Cb 0.27 -0.07 0.31 0.00 -2.33 0.00 0.00 43.42 41.60 1wxx n LEU 129 CO 0.22 0.57 1.22 -0.07 -1.33 0.00 0.00 177.39 178.00 1wxx h LEU 130 N 4.64 0.81 -0.94 2.23 3.38 -1.23 0.23 115.31 124.43 1wxx h LEU 130 Ca 0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1wxx h LEU 130 Cb 1.00 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 1wxx h LEU 130 CO 0.00 0.37 0.56 -0.65 0.09 0.00 0.00 178.44 178.81 1wxx h PRO 131 N 0.84 1.28 -0.17 1.13 0.11 -1.84 0.26 132.00 133.60 1wxx h PRO 131 Ca 0.52 -0.12 -0.13 0.00 0.11 0.00 0.00 66.00 66.37 1wxx h PRO 131 Cb 0.71 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1wxx h PRO 131 CO -0.29 0.90 -0.45 1.96 -0.21 0.00 0.00 178.00 179.90 1wxx h GLN 132 N 1.29 0.43 -0.50 1.05 7.50 -1.39 -1.55 115.11 121.95 1wxx h GLN 132 Ca 0.33 -0.23 -0.06 0.00 0.50 0.00 0.00 58.65 59.19 1wxx h GLN 132 Cb -0.04 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.48 1wxx h GLN 132 CO -0.06 0.80 0.07 0.28 -1.50 0.00 0.00 178.83 178.42 1wxx h VAL 133 N 0.35 1.25 -0.76 -0.54 2.07 -0.34 -1.08 116.25 117.20 1wxx h VAL 133 Ca 0.02 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1wxx h VAL 133 Cb 0.94 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1wxx h VAL 133 CO 0.08 0.34 0.36 0.00 0.02 0.00 0.00 177.57 178.36 1wxx h ALA 134 N 0.96 1.19 -0.60 1.67 0.00 -0.78 -2.03 119.26 119.67 1wxx h ALA 134 Ca 0.15 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1wxx h ALA 134 Cb 0.41 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1wxx h ALA 134 CO 0.01 0.61 0.05 0.93 0.00 0.00 0.00 179.25 180.86 1wxx h GLU 135 N 1.09 1.01 -0.17 0.00 4.39 -0.92 -0.68 114.58 119.30 1wxx h GLU 135 Ca 0.26 -0.28 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 1wxx h GLU 135 Cb 0.13 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1wxx h GLU 135 CO -0.03 0.96 -0.24 0.00 -1.16 0.00 0.00 179.01 178.53 1wxx h ALA 136 N 1.11 1.27 0.00 3.43 0.00 -0.78 -3.13 119.26 121.16 1wxx h ALA 136 Ca 0.18 -0.31 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 1wxx h ALA 136 Cb 0.47 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1wxx h ALA 136 CO 0.02 0.49 -1.16 -0.07 0.00 0.00 0.00 179.25 178.52 1wxx h LEU 137 N 0.28 0.01 -0.94 0.00 3.38 -1.03 -3.40 115.31 113.62 1wxx h LEU 137 Ca 0.05 -0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.24 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 1.01 -0.06 -1.14 0.09 0.00 0.00 178.44 178.38 1wxx n ARG 138 N -3.29 -0.08 0.00 1.13 0.63 -0.29 0.11 116.66 114.87 1wxx n ARG 138 Ca -0.04 1.43 0.11 0.00 -0.92 0.00 0.00 57.85 58.43 1wxx n ARG 138 Cb 0.97 -2.23 0.58 0.00 0.45 0.00 0.00 32.46 32.22 1wxx n ARG 138 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1wxx n PRO 139 N -5.45 0.44 -0.00 -0.14 -0.04 -1.26 -3.20 135.00 125.35 1wxx n PRO 139 Ca 0.20 0.06 0.04 0.00 -0.04 0.00 0.00 63.50 63.75 1wxx n PRO 139 Cb 0.64 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.56 1wxx n PRO 139 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1wxx n HIS 140 N -1.19 0.00 -4.25 0.54 8.25 0.12 -5.06 115.22 113.62 1wxx n HIS 140 Ca 0.12 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.44 1wxx n HIS 140 Cb 0.14 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.78 0.23 -0.14 1.59 -7.23 -0.98 -4.89 120.40 107.20 1wxx s VAL 141 Ca 0.03 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.23 1wxx s VAL 141 Cb 0.06 -2.55 -0.23 0.00 0.56 0.00 0.00 36.38 34.21 1wxx s VAL 141 CO 0.32 0.00 0.27 1.67 -0.31 0.00 0.00 175.10 177.05 1wxx n GLN 142 N -0.37 0.70 -3.89 4.82 7.27 0.13 -4.81 117.38 121.23 1wxx n GLN 142 Ca 0.01 0.21 -0.09 0.00 0.07 0.00 0.00 57.00 57.20 1wxx n GLN 142 Cb 0.66 -1.66 -0.07 0.00 2.41 0.00 0.00 30.24 31.58 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 -6.51 0.02 -0.04 1.69 1.04 -1.18 -4.41 113.70 104.30 1wxx s SER 143 Ca -0.19 -0.74 -0.01 0.00 0.48 0.00 0.00 55.95 55.49 1wxx s SER 143 Cb 0.07 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.64 1wxx s SER 143 CO 0.75 -0.86 0.02 -0.69 0.98 0.00 0.00 173.24 173.45 1wxx s VAL 144 N -3.92 0.09 -0.09 5.02 1.01 -0.36 -1.17 120.40 120.97 1wxx s VAL 144 Ca 0.12 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1wxx s VAL 144 Cb 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1wxx s VAL 144 CO -0.04 0.17 -0.06 -0.22 0.00 0.00 0.00 175.10 174.95 1wxx s LEU 145 N 1.61 3.21 -0.60 3.92 2.96 0.49 -0.09 118.68 130.18 1wxx s LEU 145 Ca -0.02 -0.04 -0.17 0.00 -0.22 0.00 0.00 54.13 53.68 1wxx s LEU 145 Cb -0.13 -1.72 0.13 0.00 0.50 0.00 0.00 46.19 44.97 1wxx s LEU 145 CO -0.03 0.31 0.61 0.00 -1.32 0.00 0.00 176.35 175.91 1wxx s ALA 146 N -0.48 3.62 -1.05 5.97 0.00 0.12 -0.05 121.76 129.90 1wxx s ALA 146 Ca 0.07 -2.53 -0.14 0.00 0.00 0.00 0.00 51.96 49.36 1wxx s ALA 146 Cb -0.12 -3.40 0.20 0.00 0.00 0.00 0.00 23.12 19.80 1wxx s ALA 146 CO 0.02 -2.17 1.15 0.21 0.00 0.00 0.00 175.76 174.97 1wxx s LYS 147 N 1.81 3.92 -0.65 0.00 2.20 0.97 -1.38 119.74 126.61 1wxx s LYS 147 Ca 0.08 -2.55 0.03 0.00 -0.36 0.00 0.00 55.97 53.16 1wxx s LYS 147 Cb -0.26 -4.77 0.37 0.00 -1.51 0.00 0.00 37.83 31.66 1wxx s LYS 147 CO 0.02 -1.54 1.37 0.09 -0.36 0.00 0.00 175.35 174.94 1wxx n ASN 148 N 4.73 5.64 -0.48 1.43 3.02 0.02 -4.29 115.26 125.34 1wxx n ASN 148 Ca 0.26 -3.73 0.05 0.00 -0.03 0.00 0.00 54.58 51.13 1wxx n ASN 148 Cb 0.44 -0.72 0.08 0.00 -0.61 0.00 0.00 39.78 38.97 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 -0.37 2.26 -4.71 6.41 3.85 -1.16 -1.29 116.55 121.54 1wxx n ASP 149 Ca 0.41 -1.67 -0.42 0.00 -0.71 0.00 0.00 54.79 52.41 1wxx n ASP 149 Cb 0.44 -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 -0.91 3.82 0.65 2.12 0.00 -1.26 -4.84 121.76 121.34 1wxx s ALA 150 Ca 0.16 1.45 0.36 0.00 0.00 0.00 0.00 51.96 53.93 1wxx s ALA 150 Cb 0.09 -3.71 1.97 0.00 0.00 0.00 0.00 23.12 21.48 1wxx s ALA 150 CO 0.13 -1.03 2.14 0.00 0.00 0.00 0.00 175.76 177.01 1wxx h ARG 151 N 7.62 0.00 0.00 0.00 2.47 -2.01 -1.02 114.38 121.44 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 0.94 0.00 -0.03 1.79 0.56 0.00 0.00 179.97 183.23 1wxx h THR 152 N 0.00 0.36 0.00 2.04 1.35 -1.97 -1.74 112.91 112.95 1wxx h THR 152 Ca 0.02 -0.15 -0.04 0.00 -0.55 0.00 0.00 66.41 65.68 1wxx h THR 152 Cb 0.36 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1wxx h THR 152 CO -0.00 0.03 -0.20 0.03 -0.25 0.00 0.00 175.52 175.13 1wxx h ARG 153 N 0.00 0.00 -0.85 4.72 3.08 -1.48 -2.55 114.38 117.30 1wxx h ARG 153 Ca -0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1wxx h ARG 153 Cb 0.11 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 1wxx h ARG 153 CO 0.00 0.20 0.56 0.93 -1.07 0.00 0.00 179.97 180.59 1wxx h GLU 154 N 0.00 0.95 -0.60 0.04 5.08 -1.45 -1.05 114.58 117.56 1wxx h GLU 154 Ca -0.00 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1wxx h GLU 154 Cb 0.36 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1wxx h GLU 154 CO 0.03 0.63 0.39 -0.07 -1.00 0.00 0.00 179.01 178.99 1wxx h LEU 155 N 0.98 0.62 -0.57 1.33 3.38 -1.61 -0.75 115.31 118.70 1wxx h LEU 155 Ca 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1wxx h LEU 155 Cb 0.16 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1wxx h LEU 155 CO -0.12 0.44 -0.03 -0.62 0.09 0.00 0.00 178.44 178.19 1wxx n GLU 156 N -4.46 1.28 -1.99 1.13 -0.58 -0.49 -4.70 120.64 110.84 1wxx n GLU 156 Ca 0.07 -0.57 -0.05 0.00 -0.42 0.00 0.00 57.16 56.19 1wxx n GLU 156 Cb 0.11 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.49 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 1.16 0.23 3.79 0.62 0.00 -0.29 -4.73 105.19 105.97 1wxx n GLY 157 Ca 0.19 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.52 3.97 0.71 0.99 1.43 -0.65 -5.02 118.68 118.58 1wxx s LEU 158 Ca 0.00 0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.21 1wxx s LEU 158 Cb 0.00 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1wxx s LEU 158 CO 0.00 0.32 1.07 -2.16 0.23 0.00 0.00 176.35 175.81 1wxx s PRO 159 N -1.44 2.75 -0.20 1.29 0.04 -1.26 -4.05 135.00 132.13 1wxx s PRO 159 Ca 0.20 1.09 -0.09 0.00 0.04 0.00 0.00 61.00 62.23 1wxx s PRO 159 Cb -0.12 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1wxx s PRO 159 CO 0.10 -1.26 0.11 -0.51 0.04 0.00 0.00 177.00 175.48 1wxx s LEU 160 N -5.49 4.02 -0.01 -3.56 1.02 -1.26 -4.87 118.68 108.53 1wxx s LEU 160 Ca 0.60 0.13 -0.29 0.00 0.02 0.00 0.00 54.13 54.59 1wxx s LEU 160 Cb -0.16 -2.04 0.10 0.00 0.02 0.00 0.00 46.19 44.11 1wxx s LEU 160 CO 0.52 0.14 0.99 -0.72 0.02 0.00 0.00 176.35 177.31 1wxx s TYR 161 N 0.56 -0.24 -0.16 0.29 -0.85 -0.42 -4.93 117.35 111.61 1wxx s TYR 161 Ca 0.06 0.08 -0.03 0.00 -0.52 0.00 0.00 57.07 56.66 1wxx s TYR 161 Cb -0.12 0.56 0.05 0.00 0.38 0.00 0.00 41.96 42.83 1wxx s TYR 161 CO 0.00 -0.52 0.05 0.08 -1.52 0.00 0.00 175.55 173.64 1wxx s VAL 162 N -2.97 0.27 0.11 -3.49 1.01 -1.26 -0.80 120.40 113.27 1wxx s VAL 162 Ca 0.08 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 1wxx s VAL 162 Cb -0.01 -0.77 0.04 0.00 0.00 0.00 0.00 36.38 35.65 1wxx s VAL 162 CO -0.05 -0.15 0.44 0.00 0.00 0.00 0.00 175.10 175.33 1wxx s ARG 163 N 1.98 1.07 0.57 2.72 1.70 -0.48 -4.98 118.95 121.53 1wxx s ARG 163 Ca 0.01 -0.59 -0.21 0.00 -0.47 0.00 0.00 55.73 54.48 1wxx s ARG 163 Cb -0.16 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 1wxx s ARG 163 CO -0.08 -0.42 1.30 -2.14 -1.08 0.00 0.00 175.30 172.88 1wxx s PRO 164 N -3.50 3.05 -0.00 3.89 0.02 -1.26 0.14 135.00 137.34 1wxx s PRO 164 Ca 0.01 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.11 1wxx s PRO 164 Cb 0.01 -2.13 -0.00 0.00 0.02 0.00 0.00 34.50 32.39 1wxx s PRO 164 CO -0.10 -1.21 0.00 1.28 -0.33 0.00 0.00 177.00 176.64 1wxx n LEU 165 N -1.25 0.00 -3.59 -5.54 4.77 0.87 -4.73 117.00 107.53 1wxx n LEU 165 Ca 0.12 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 1wxx n LEU 165 Cb 0.47 0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1wxx n LEU 165 CO 0.50 0.01 0.38 -0.22 -1.33 0.00 0.00 177.39 176.72 1wxx s LEU 166 N -3.86 -0.50 0.00 2.23 0.20 -0.92 -4.94 118.68 110.89 1wxx s LEU 166 Ca -0.00 0.93 0.00 0.00 0.69 0.00 0.00 54.13 55.75 1wxx s LEU 166 Cb 0.00 2.34 0.00 0.00 -0.43 0.00 0.00 46.19 48.11 1wxx s LEU 166 CO 0.01 -0.44 0.00 0.61 -0.29 0.00 0.00 176.35 176.24 1wxx n GLY 167 N 1.68 -0.32 3.53 7.98 0.00 -1.26 -1.23 105.19 115.57 1wxx n GLY 167 Ca -0.17 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 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 3.45 -0.20 1.61 2.02 -1.26 -4.79 118.70 119.52 1wxx s GLU 168 Ca 0.00 -0.47 -0.24 0.00 0.02 0.00 0.00 54.97 54.29 1wxx s GLU 168 Cb 0.00 -3.85 -0.01 0.00 0.10 0.00 0.00 34.13 30.37 1wxx s GLU 168 CO 0.00 -0.63 0.77 0.08 0.02 0.00 0.00 175.26 175.50 1wxx s VAL 169 N 2.12 4.91 0.80 2.63 1.01 -1.26 -4.72 120.40 125.89 1wxx s VAL 169 Ca 0.13 1.49 -0.12 0.00 0.00 0.00 0.00 61.98 63.48 1wxx s VAL 169 Cb -0.16 -4.08 0.08 0.00 0.00 0.00 0.00 36.38 32.21 1wxx s VAL 169 CO 0.12 0.02 1.14 -2.16 0.00 0.00 0.00 175.10 174.23 1wxx s PRO 170 N 2.28 2.02 0.01 2.72 0.04 -1.26 -4.99 135.00 135.82 1wxx s PRO 170 Ca 0.35 0.30 -0.01 0.00 0.04 0.00 0.00 61.00 61.67 1wxx s PRO 170 Cb -0.16 -1.94 -0.27 0.00 0.04 0.00 0.00 34.50 32.17 1wxx s PRO 170 CO 0.10 -1.59 0.89 0.93 0.04 0.00 0.00 177.00 177.38 1wxx h GLU 171 N -1.06 0.22 -3.79 4.56 5.08 -1.95 -3.42 114.58 114.22 1wxx h GLU 171 Ca -0.47 -0.37 -0.14 0.00 -1.00 0.00 0.00 59.36 57.38 1wxx h GLU 171 Cb 1.30 0.14 -0.19 0.00 0.50 0.00 0.00 28.75 30.50 1wxx h GLU 171 CO 0.64 1.07 -0.57 1.03 -1.00 0.00 0.00 179.01 180.18 1wxx s ARG 172 N -2.62 0.49 -0.04 2.33 0.52 -1.26 -0.22 118.95 118.14 1wxx s ARG 172 Ca -0.08 -0.64 -0.16 0.00 -0.52 0.00 0.00 55.73 54.33 1wxx s ARG 172 Cb 0.07 0.19 0.03 0.00 0.52 0.00 0.00 34.95 35.76 1wxx s ARG 172 CO 0.85 -0.11 0.35 0.54 0.02 0.00 0.00 175.30 176.95 1wxx s VAL 173 N -2.05 0.04 0.04 3.52 0.11 -0.63 -4.98 120.40 116.44 1wxx s VAL 173 Ca -0.10 -0.34 -0.15 0.00 -2.93 0.00 0.00 61.98 58.45 1wxx s VAL 173 Cb -0.05 -0.62 -0.06 0.00 -1.53 0.00 0.00 36.38 34.12 1wxx s VAL 173 CO -0.02 -0.19 0.46 -1.10 -3.33 0.00 0.00 175.10 170.92 1wxx s GLN 174 N -1.00 3.98 -0.07 1.54 -0.21 -1.26 -0.80 119.66 121.84 1wxx s GLN 174 Ca -0.11 0.49 0.04 0.00 0.02 0.00 0.00 55.36 55.80 1wxx s GLN 174 Cb -0.04 -3.18 -0.00 0.00 1.00 0.00 0.00 33.01 30.78 1wxx s GLN 174 CO 0.04 0.65 -0.20 0.08 -2.12 0.00 0.00 175.29 173.74 1wxx s VAL 175 N -1.14 1.73 -0.11 1.09 1.01 -0.29 -4.68 120.40 118.01 1wxx s VAL 175 Ca 0.27 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 1wxx s VAL 175 Cb -0.17 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1wxx s VAL 175 CO 0.16 0.49 0.43 -1.58 0.00 0.00 0.00 175.10 174.59 1wxx s GLN 176 N 0.16 4.26 -0.29 2.72 2.00 -0.38 -1.54 119.66 126.59 1wxx s GLN 176 Ca -0.09 0.37 -0.04 0.00 -2.00 0.00 0.00 55.36 53.60 1wxx s GLN 176 Cb -0.15 -3.40 0.10 0.00 0.80 0.00 0.00 33.01 30.36 1wxx s GLN 176 CO 0.05 0.25 0.13 -2.00 -0.50 0.00 0.00 175.29 173.22 1wxx s GLU 177 N 0.34 0.25 7.62 1.67 2.12 0.41 -4.20 118.70 126.90 1wxx s GLU 177 Ca 0.24 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 54.98 1wxx s GLU 177 Cb -0.15 -1.25 0.00 0.00 0.26 0.00 0.00 34.13 32.99 1wxx s GLU 177 CO 0.09 -1.02 0.00 0.41 -0.54 0.00 0.00 175.26 174.21 1wxx n GLY 178 N 5.21 3.03 0.98 -1.50 0.00 -1.26 -2.00 105.19 109.65 1wxx n GLY 178 Ca -0.06 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 13.55 2.37 -4.27 1.61 1.74 -1.26 -4.92 116.66 125.48 1wxx n ARG 179 Ca 0.00 -1.79 -0.15 0.00 -0.77 0.00 0.00 57.85 55.14 1wxx n ARG 179 Cb 0.00 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 29.85 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 -1.49 1.09 0.10 1.55 -7.23 -0.85 -5.09 120.40 108.48 1wxx s VAL 180 Ca 0.33 -2.05 0.08 0.00 -1.81 0.00 0.00 61.98 58.53 1wxx s VAL 180 Cb 0.19 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 1wxx s VAL 180 CO 0.20 -0.60 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.06 1wxx s ARG 181 N -3.79 1.08 0.04 4.82 0.52 -1.26 -0.44 118.95 119.92 1wxx s ARG 181 Ca 0.21 -1.15 -0.01 0.00 -0.52 0.00 0.00 55.73 54.25 1wxx s ARG 181 Cb 0.04 -1.27 -0.03 0.00 0.52 0.00 0.00 34.95 34.20 1wxx s ARG 181 CO 0.03 0.29 -0.02 1.52 0.02 0.00 0.00 175.30 177.14 1wxx s TYR 182 N -1.30 0.45 -0.20 -0.53 -0.85 -0.59 -4.79 117.35 109.55 1wxx s TYR 182 Ca 0.06 -0.93 -0.12 0.00 -0.52 0.00 0.00 57.07 55.56 1wxx s TYR 182 Cb -0.09 -0.34 -0.05 0.00 0.38 0.00 0.00 41.96 41.86 1wxx s TYR 182 CO 0.04 -0.34 0.20 -0.51 -1.52 0.00 0.00 175.55 173.42 1wxx s LEU 183 N -2.60 4.19 -0.16 -3.49 1.43 -1.26 -1.14 118.68 115.66 1wxx s LEU 183 Ca 0.02 0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1wxx s LEU 183 Cb 0.04 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1wxx s LEU 183 CO -0.08 0.11 0.04 -0.69 0.23 0.00 0.00 176.35 175.96 1wxx s VAL 184 N 0.62 4.61 -0.29 -1.59 1.01 0.02 -4.77 120.40 120.00 1wxx s VAL 184 Ca 0.11 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 1wxx s VAL 184 Cb -0.12 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 1wxx s VAL 184 CO 0.02 0.50 0.10 -0.62 0.00 0.00 0.00 175.10 175.10 1wxx s ASP 185 N 0.03 5.25 0.00 3.32 -1.08 -0.84 -1.61 116.67 121.75 1wxx s ASP 185 Ca 0.05 -0.51 0.27 0.00 -0.52 0.00 0.00 52.55 51.83 1wxx s ASP 185 Cb -0.12 -1.93 0.79 0.00 -1.46 0.00 0.00 42.92 40.20 1wxx s ASP 185 CO 0.01 -0.15 1.59 0.18 0.52 0.00 0.00 175.17 177.32 1wxx n LEU 186 N 4.92 1.33 -4.77 -1.34 4.77 0.70 -3.82 117.00 118.79 1wxx n LEU 186 Ca -0.15 -0.40 -0.40 0.00 -0.03 0.00 0.00 56.01 55.03 1wxx n LEU 186 Cb 0.49 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1wxx n LEU 186 CO 0.32 0.24 0.92 -0.13 -1.33 0.00 0.00 177.39 177.40 1wxx s ARG 187 N -2.30 4.36 0.37 3.23 0.52 -1.23 -4.92 118.95 118.97 1wxx s ARG 187 Ca 0.29 2.07 0.09 0.00 -0.52 0.00 0.00 55.73 57.67 1wxx s ARG 187 Cb 0.20 -3.03 0.84 0.00 0.52 0.00 0.00 34.95 33.48 1wxx s ARG 187 CO 0.45 -0.13 1.91 0.00 0.02 0.00 0.00 175.30 177.54 1wxx h ALA 188 N 3.34 1.85 -0.33 2.13 0.00 -1.95 -2.39 119.26 121.92 1wxx h ALA 188 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1wxx h ALA 188 Cb 1.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1wxx h ALA 188 CO 0.65 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1wxx n GLY 189 N -1.46 1.58 3.26 0.00 0.00 -1.26 -4.91 105.19 102.41 1wxx n GLY 189 Ca 0.14 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.72 1.08 0.08 1.61 -1.52 -0.90 -5.11 119.66 113.18 1wxx s GLN 190 Ca 0.26 -1.32 -0.31 0.00 -1.95 0.00 0.00 55.36 52.04 1wxx s GLN 190 Cb 0.17 -0.90 -0.07 0.00 -0.22 0.00 0.00 33.01 32.00 1wxx s GLN 190 CO 0.12 0.16 1.34 0.15 -0.25 0.00 0.00 175.29 176.81 1wxx s LYS 191 N -2.97 4.35 0.16 2.91 -0.14 -1.26 -4.78 119.74 118.01 1wxx s LYS 191 Ca 0.12 1.97 -0.14 0.00 -1.36 0.00 0.00 55.97 56.56 1wxx s LYS 191 Cb -0.03 -3.32 0.05 0.00 -1.68 0.00 0.00 37.83 32.85 1wxx s LYS 191 CO 0.03 -0.41 1.80 1.15 -0.76 0.00 0.00 175.35 177.16 1wxx h THR 192 N 4.42 1.15 -1.36 2.17 2.02 -1.91 -3.34 112.91 116.07 1wxx h THR 192 Ca -0.41 -0.35 -0.21 0.00 0.77 0.00 0.00 66.41 66.21 1wxx h THR 192 Cb 1.21 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1wxx h THR 192 CO 0.85 0.16 -0.26 0.61 0.37 0.00 0.00 175.52 177.25 1wxx n GLY 193 N -1.11 0.11 0.15 2.16 0.00 -1.26 -1.98 105.19 103.25 1wxx n GLY 193 Ca 0.02 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.14 1.25 -3.80 4.61 0.00 -1.26 -4.84 120.51 115.33 1wxx n ALA 194 Ca -0.12 -1.10 -0.33 0.00 0.00 0.00 0.00 53.44 51.89 1wxx n ALA 194 Cb 0.56 0.12 0.03 0.00 0.00 0.00 0.00 19.45 20.15 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 -4.12 -1.77 0.25 0.00 4.02 -1.26 -4.86 117.16 109.42 1wxx n TYR 195 Ca -0.53 0.45 0.15 0.00 -0.01 0.00 0.00 57.90 57.96 1wxx n TYR 195 Cb 0.90 -3.40 0.84 0.00 -0.02 0.00 0.00 39.34 37.66 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 -2.00 0.00 -1.29 7.72 3.38 -1.95 -2.32 115.31 118.84 1wxx h LEU 196 Ca -0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1wxx h LEU 196 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1wxx h LEU 196 CO 0.52 0.00 0.00 -2.24 0.09 0.00 0.00 178.44 176.81 1wxx h ASP 197 N 0.00 0.00 -0.24 -0.43 3.04 -1.98 -1.12 116.42 115.68 1wxx h ASP 197 Ca 0.04 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.83 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 -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.20 1wxx n GLN 198 N -2.39 2.18 -0.13 4.15 1.13 -0.87 -4.41 117.38 117.03 1wxx n GLN 198 Ca -0.00 -2.01 -0.11 0.00 -1.94 0.00 0.00 57.00 52.94 1wxx n GLN 198 Cb 0.14 -1.43 -0.07 0.00 0.11 0.00 0.00 30.24 28.99 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 3.95 -0.34 0.00 -1.09 2.43 -1.31 0.38 114.38 118.40 1wxx h ARG 199 Ca 0.00 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1wxx h ARG 199 Cb 0.88 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1wxx h ARG 199 CO 0.00 -0.23 -0.40 0.93 -1.51 0.00 0.00 179.97 178.76 1wxx h GLU 200 N -0.35 0.00 -0.09 0.20 5.08 -1.84 -2.13 114.58 115.45 1wxx h GLU 200 Ca 0.12 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 1wxx h GLU 200 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1wxx h GLU 200 CO -0.59 0.40 -0.67 -0.91 -1.00 0.00 0.00 179.01 176.24 1wxx h ASN 201 N 0.00 0.44 -0.41 1.42 2.35 -1.69 -0.47 115.58 117.22 1wxx h ASN 201 Ca -0.00 -0.27 -0.10 0.00 -0.55 0.00 0.00 56.30 55.38 1wxx h ASN 201 Cb 0.81 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1wxx h ASN 201 CO 0.05 0.99 -0.13 0.03 -1.65 0.00 0.00 177.43 176.72 1wxx h ARG 202 N 0.27 0.81 -0.53 0.81 3.08 -0.72 -2.79 114.38 115.31 1wxx h ARG 202 Ca -0.02 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.66 1wxx h ARG 202 Cb 1.22 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1wxx h ARG 202 CO 0.11 0.95 0.15 -0.07 -1.07 0.00 0.00 179.97 180.04 1wxx h LEU 203 N 0.62 0.73 -4.21 3.04 3.38 -1.22 -3.31 115.31 114.34 1wxx h LEU 203 Ca 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wxx h LEU 203 Cb 0.67 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1wxx h LEU 203 CO 0.05 0.70 0.05 0.00 0.09 0.00 0.00 178.44 179.33 1wxx n TYR 204 N -4.30 0.00 0.00 1.13 9.36 -0.20 -4.49 117.16 118.67 1wxx n TYR 204 Ca 0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.26 1wxx n TYR 204 Cb 0.20 -0.25 0.00 0.00 -0.63 0.00 0.00 39.34 38.67 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 2.01 0.00 0.13 2.98 1.02 -1.25 -4.62 120.64 120.90 1wxx n GLU 206 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1wxx n GLU 206 Cb 0.00 -2.35 0.19 0.00 -0.02 0.00 0.00 31.44 29.26 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 -6.91 3.49 0.11 -1.93 -3.46 114.38 105.67 1wxx h ARG 207 Ca 0.00 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.61 1wxx h ARG 207 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 1wxx h ARG 207 CO 0.00 0.00 0.22 -0.06 0.10 0.00 0.00 179.97 180.23 1wxx s PHE 208 N -3.21 3.37 0.06 4.08 0.08 -1.26 -5.09 117.98 116.01 1wxx s PHE 208 Ca 0.06 1.37 0.03 0.00 0.12 0.00 0.00 56.93 58.51 1wxx s PHE 208 Cb 0.10 -2.67 -0.03 0.00 -0.57 0.00 0.00 43.02 39.85 1wxx s PHE 208 CO 0.69 -0.05 -0.09 1.03 -0.10 0.00 0.00 175.22 176.71 1wxx s ARG 209 N -3.26 0.66 0.00 0.44 1.81 -1.26 -4.56 118.95 112.79 1wxx s ARG 209 Ca 0.57 -0.95 0.00 0.00 -1.72 0.00 0.00 55.73 53.63 1wxx s ARG 209 Cb -0.10 -0.36 0.00 0.00 -0.45 0.00 0.00 34.95 34.04 1wxx s ARG 209 CO 0.19 0.05 0.00 0.41 -0.68 0.00 0.00 175.30 175.27 1wxx n GLY 210 N 1.02 -1.54 0.02 -3.53 0.00 -1.07 -4.99 105.19 95.09 1wxx n GLY 210 Ca -0.20 -1.06 -0.01 0.00 0.00 0.00 0.00 46.02 44.76 1wxx n GLY 210 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wxx h GLU 211 N 0.00 0.00 -6.41 1.61 4.81 -1.93 -2.91 114.58 109.75 1wxx h GLU 211 Ca 0.00 0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 58.53 1wxx h GLU 211 Cb 0.00 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.08 1wxx h GLU 211 CO 0.00 0.00 -0.88 1.03 -0.73 0.00 0.00 179.01 178.43 1wxx s ARG 212 N -1.24 2.27 0.05 1.92 0.52 -1.26 -1.08 118.95 120.13 1wxx s ARG 212 Ca -0.02 -0.91 0.07 0.00 -0.52 0.00 0.00 55.73 54.35 1wxx s ARG 212 Cb 0.00 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.35 1wxx s ARG 212 CO 0.03 0.51 -0.20 0.00 0.02 0.00 0.00 175.30 175.66 1wxx s ALA 213 N -0.48 1.69 -0.15 2.13 0.00 -0.48 -1.15 121.76 123.32 1wxx s ALA 213 Ca 0.06 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1wxx s ALA 213 Cb -0.11 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.72 1wxx s ALA 213 CO 0.00 0.37 -0.21 -1.17 0.00 0.00 0.00 175.76 174.75 1wxx s LEU 214 N -1.30 2.09 -0.47 0.00 2.96 0.08 -0.96 118.68 121.08 1wxx s LEU 214 Ca 0.07 -0.60 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 1wxx s LEU 214 Cb -0.09 -1.43 0.12 0.00 0.50 0.00 0.00 46.19 45.29 1wxx s LEU 214 CO 0.02 0.06 0.29 -0.62 -1.32 0.00 0.00 176.35 174.78 1wxx s ASP 215 N 0.93 5.39 0.12 3.68 2.15 0.75 -0.36 116.67 129.33 1wxx s ASP 215 Ca -0.04 -2.17 -0.19 0.00 0.43 0.00 0.00 52.55 50.58 1wxx s ASP 215 Cb -0.15 -1.88 -0.07 0.00 -0.30 0.00 0.00 42.92 40.52 1wxx s ASP 215 CO -0.04 -0.55 0.61 -0.69 -0.17 0.00 0.00 175.17 174.33 1wxx s VAL 216 N 0.96 4.70 -1.30 1.11 1.01 -0.02 -0.59 120.40 126.26 1wxx s VAL 216 Ca 0.09 1.19 -0.07 0.00 0.00 0.00 0.00 61.98 63.20 1wxx s VAL 216 Cb -0.23 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1wxx s VAL 216 CO -0.03 0.43 1.13 0.49 0.00 0.00 0.00 175.10 177.11 1wxx n PHE 217 N 1.35 -2.69 -0.28 5.22 3.01 -0.46 -2.93 117.46 120.69 1wxx n PHE 217 Ca -0.08 0.98 0.18 0.00 1.01 0.00 0.00 57.45 59.54 1wxx n PHE 217 Cb 0.51 -4.99 0.46 0.00 -0.01 0.00 0.00 39.48 35.44 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 -2.49 0.52 0.00 4.37 0.87 -1.01 -3.43 113.55 112.38 1wxx h SER 218 Ca -0.56 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1wxx h SER 218 Cb 1.36 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1wxx h SER 218 CO 0.54 0.20 0.00 0.00 -0.53 0.00 0.00 176.83 177.03 1wxx n TYR 219 N -4.58 0.00 1.09 2.24 9.36 -1.26 -2.07 117.16 121.94 1wxx n TYR 219 Ca 0.21 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.52 1wxx n TYR 219 Cb 0.67 0.00 0.54 0.00 -0.63 0.00 0.00 39.34 39.92 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 10.88 2.14 -0.37 2.98 0.00 -1.26 -4.36 120.51 130.51 1wxx n ALA 220 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1wxx n ALA 220 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 0.27 0.78 0.22 0.00 0.00 -0.88 -2.98 105.19 102.61 1wxx n GLY 221 Ca 0.12 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 0.12 0.94 -0.02 0.00 -1.89 -1.49 103.07 100.73 1wxx h GLY 222 Ca 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1wxx h GLY 222 CO 0.00 -0.18 0.16 0.74 0.00 0.00 0.00 176.54 177.26 1wxx h PHE 223 N -0.10 0.59 -0.82 5.60 0.04 -1.95 -2.91 116.94 117.39 1wxx h PHE 223 Ca 0.18 -0.04 0.10 0.00 2.80 0.00 0.00 57.97 61.01 1wxx h PHE 223 Cb 0.37 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 38.27 1wxx h PHE 223 CO -0.39 0.52 0.46 0.00 -0.60 0.00 0.00 178.31 178.31 1wxx h ALA 224 N 1.01 1.18 -0.69 2.45 0.00 -1.83 -1.63 119.26 119.74 1wxx h ALA 224 Ca 0.13 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1wxx h ALA 224 Cb 0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1wxx h ALA 224 CO -0.01 0.07 0.39 -0.07 0.00 0.00 0.00 179.25 179.63 1wxx h LEU 225 N 0.77 0.60 -0.74 0.00 3.38 -1.08 -0.54 115.31 117.69 1wxx h LEU 225 Ca 0.40 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.27 1wxx h LEU 225 Cb 0.39 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1wxx h LEU 225 CO -0.26 0.39 -0.61 0.45 0.09 0.00 0.00 178.44 178.50 1wxx h HIS 226 N 0.73 0.00 0.00 1.13 3.86 -1.35 -3.15 115.15 116.37 1wxx h HIS 226 Ca 0.30 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.44 1wxx h HIS 226 Cb 0.17 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1wxx h HIS 226 CO -0.07 0.61 -0.35 -0.07 0.86 0.00 0.00 177.93 178.92 1wxx h LEU 227 N 0.00 0.00 -1.94 2.43 3.38 -0.62 -3.32 115.31 115.24 1wxx h LEU 227 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wxx h LEU 227 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1wxx h LEU 227 CO 0.08 0.35 0.04 0.00 0.09 0.00 0.00 178.44 178.99 1wxx h ALA 228 N 1.65 1.95 0.00 1.53 0.00 -1.08 -1.20 119.26 122.12 1wxx h ALA 228 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1wxx h ALA 228 Cb 1.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1wxx h ALA 228 CO 0.05 0.04 -0.56 -0.07 0.00 0.00 0.00 179.25 178.71 1wxx h LEU 229 N 0.08 0.00 0.00 0.00 3.38 -1.73 -3.31 115.31 113.73 1wxx h LEU 229 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wxx h LEU 229 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wxx h LEU 229 CO -0.00 0.56 -1.05 0.61 0.09 0.00 0.00 178.44 178.64 1wxx n GLY 230 N 0.22 -0.65 3.48 0.83 0.00 -0.85 -4.99 105.19 103.24 1wxx n GLY 230 Ca -0.01 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.75 2.53 0.07 1.61 0.40 -0.51 -2.60 117.98 116.73 1wxx s PHE 231 Ca 0.03 -0.26 -0.21 0.00 -0.60 0.00 0.00 56.93 55.88 1wxx s PHE 231 Cb 0.12 -1.35 -0.12 0.00 0.51 0.00 0.00 43.02 42.18 1wxx s PHE 231 CO 0.70 0.37 1.57 -0.09 0.70 0.00 0.00 175.22 178.47 1wxx h ARG 232 N 3.80 0.22 -4.70 0.44 2.43 -0.95 -3.44 114.38 112.18 1wxx h ARG 232 Ca -0.50 -0.05 -0.40 0.00 -0.81 0.00 0.00 59.98 58.22 1wxx h ARG 232 Cb 1.17 -0.03 -0.29 0.00 -0.42 0.00 0.00 29.97 30.40 1wxx h ARG 232 CO 0.46 0.37 -0.78 -2.00 -1.51 0.00 0.00 179.97 176.51 1wxx s GLU 233 N -5.33 0.77 -0.09 0.20 2.12 -0.24 -4.80 118.70 111.32 1wxx s GLU 233 Ca -0.14 -0.32 0.02 0.00 0.36 0.00 0.00 54.97 54.89 1wxx s GLU 233 Cb 0.06 -0.74 0.01 0.00 0.26 0.00 0.00 34.13 33.72 1wxx s GLU 233 CO 0.70 0.18 -0.13 0.08 -0.54 0.00 0.00 175.26 175.55 1wxx s VAL 234 N -0.13 1.29 -0.26 3.70 1.01 -0.40 -1.38 120.40 124.23 1wxx s VAL 234 Ca 0.02 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1wxx s VAL 234 Cb -0.04 -1.19 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 1wxx s VAL 234 CO -0.00 0.40 0.04 -0.69 0.00 0.00 0.00 175.10 174.84 1wxx s VAL 235 N 0.89 3.83 -0.25 2.92 1.01 -0.14 -0.75 120.40 127.91 1wxx s VAL 235 Ca -0.10 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 1wxx s VAL 235 Cb -0.15 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1wxx s VAL 235 CO 0.01 0.22 0.16 0.00 0.00 0.00 0.00 175.10 175.49 1wxx s ALA 236 N 1.51 3.57 -0.08 5.51 0.00 -0.01 -0.17 121.76 132.09 1wxx s ALA 236 Ca 0.04 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.11 1wxx s ALA 236 Cb -0.16 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 1wxx s ALA 236 CO 0.01 -0.27 -0.22 0.08 0.00 0.00 0.00 175.76 175.37 1wxx s VAL 237 N 1.20 2.34 -0.08 0.00 1.01 0.24 -0.44 120.40 124.67 1wxx s VAL 237 Ca 0.07 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 1wxx s VAL 237 Cb -0.14 -1.89 0.08 0.00 0.00 0.00 0.00 36.38 34.43 1wxx s VAL 237 CO 0.06 0.56 0.74 -0.62 0.00 0.00 0.00 175.10 175.84 1wxx s ASP 238 N -0.03 -0.61 0.01 3.32 2.15 -1.08 -0.74 116.67 119.69 1wxx s ASP 238 Ca -0.07 0.71 0.27 0.00 0.43 0.00 0.00 52.55 53.90 1wxx s ASP 238 Cb -0.15 0.56 0.96 0.00 -0.30 0.00 0.00 42.92 43.99 1wxx s ASP 238 CO 0.05 -0.54 1.74 -1.54 -0.17 0.00 0.00 175.17 174.71 1wxx n SER 239 N 1.00 0.22 -4.55 -0.34 3.41 -1.19 -2.44 113.62 109.73 1wxx n SER 239 Ca -0.17 0.25 -0.41 0.00 -0.26 0.00 0.00 58.87 58.29 1wxx n SER 239 Cb 0.57 -0.26 -0.09 0.00 -0.26 0.00 0.00 64.21 64.18 1wxx n SER 239 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wxx s SER 240 N -3.11 6.23 0.27 4.04 0.15 -1.26 -4.78 113.70 115.24 1wxx s SER 240 Ca 0.13 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.62 1wxx s SER 240 Cb 0.18 -2.22 0.35 0.00 -1.71 0.00 0.00 66.02 62.63 1wxx s SER 240 CO 0.59 -0.37 1.92 0.00 1.20 0.00 0.00 173.24 176.59 1wxx h ALA 241 N 8.43 1.31 -0.04 5.45 0.00 -1.99 -1.65 119.26 130.77 1wxx h ALA 241 Ca -0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1wxx h ALA 241 Cb 1.14 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1wxx h ALA 241 CO 0.71 0.60 0.02 1.49 0.00 0.00 0.00 179.25 182.07 1wxx h GLU 242 N 1.17 0.06 -0.39 0.00 4.57 -1.99 -1.65 114.58 116.35 1wxx h GLU 242 Ca 0.31 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.52 1wxx h GLU 242 Cb -0.06 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 1wxx h GLU 242 CO -0.06 0.13 0.16 0.00 -1.18 0.00 0.00 179.01 178.06 1wxx h ALA 243 N 0.93 0.47 0.00 2.92 0.00 -1.80 -1.17 119.26 120.60 1wxx h ALA 243 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1wxx h ALA 243 Cb 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wxx h ALA 243 CO -0.00 -0.22 -0.05 -0.07 0.00 0.00 0.00 179.25 178.91 1wxx h LEU 244 N 0.33 0.00 -0.26 0.00 3.38 -1.09 -0.91 115.31 116.76 1wxx h LEU 244 Ca 0.17 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 1wxx h LEU 244 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1wxx h LEU 244 CO -0.16 0.05 -0.35 0.03 0.09 0.00 0.00 178.44 178.10 1wxx h ARG 245 N 0.00 0.70 -0.81 1.13 3.08 -0.25 -1.22 114.38 117.01 1wxx h ARG 245 Ca -0.00 -0.40 -0.04 0.00 0.07 0.00 0.00 59.98 59.61 1wxx h ARG 245 Cb 0.13 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 1wxx h ARG 245 CO 0.01 1.02 0.35 -0.09 -1.07 0.00 0.00 179.97 180.18 1wxx h ARG 246 N 0.43 1.20 -0.22 0.04 9.65 -0.87 -0.58 114.38 124.03 1wxx h ARG 246 Ca 0.03 -0.20 0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1wxx h ARG 246 Cb 0.93 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 29.30 1wxx h ARG 246 CO 0.08 0.95 0.12 0.00 2.80 0.00 0.00 179.97 183.92 1wxx h ALA 247 N 1.20 0.26 -0.50 2.80 0.00 -0.99 0.17 119.26 122.21 1wxx h ALA 247 Ca 0.27 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1wxx h ALA 247 Cb 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1wxx h ALA 247 CO -0.03 -0.29 0.01 0.93 0.00 0.00 0.00 179.25 179.87 1wxx h GLU 248 N 0.25 0.83 -0.57 0.00 5.08 -0.93 -0.60 114.58 118.64 1wxx h GLU 248 Ca 0.09 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1wxx h GLU 248 Cb 0.00 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1wxx h GLU 248 CO -0.05 0.83 0.14 1.49 -1.00 0.00 0.00 179.01 180.43 1wxx h GLU 249 N 0.78 0.91 -0.48 2.33 4.81 -0.62 -1.07 114.58 121.24 1wxx h GLU 249 Ca 0.15 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1wxx h GLU 249 Cb 0.46 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1wxx h GLU 249 CO 0.02 0.84 0.00 -0.91 -0.73 0.00 0.00 179.01 178.23 1wxx h ASN 250 N 0.81 0.82 -0.57 1.04 2.35 -0.31 -1.21 115.58 118.52 1wxx h ASN 250 Ca 0.18 -0.30 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1wxx h ASN 250 Cb 0.34 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 1wxx h ASN 250 CO 0.00 0.93 0.36 0.00 -1.65 0.00 0.00 177.43 177.06 1wxx h ALA 251 N 0.93 0.73 -0.85 -0.83 0.00 -0.90 -2.35 119.26 116.00 1wxx h ALA 251 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wxx h ALA 251 Cb 0.50 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1wxx h ALA 251 CO 0.02 0.10 0.48 -0.09 0.00 0.00 0.00 179.25 179.76 1wxx h ARG 252 N 0.71 1.17 -0.12 0.00 2.43 -0.96 -0.63 114.38 116.98 1wxx h ARG 252 Ca 0.22 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1wxx h ARG 252 Cb -0.01 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1wxx h ARG 252 CO -0.08 0.85 0.04 1.25 -1.51 0.00 0.00 179.97 180.52 1wxx h LEU 253 N 1.17 0.14 -1.57 3.80 5.85 -0.70 -1.48 115.31 122.52 1wxx h LEU 253 Ca 0.30 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1wxx h LEU 253 Cb 0.01 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1wxx h LEU 253 CO -0.05 0.13 0.00 0.59 -0.34 0.00 0.00 178.44 178.77 1wxx n ASN 254 N -4.49 2.41 -1.97 1.25 3.02 -0.87 -4.94 115.26 109.68 1wxx n ASN 254 Ca -0.01 -1.80 -0.16 0.00 -0.03 0.00 0.00 54.58 52.57 1wxx n ASN 254 Cb 0.11 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 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 1.29 -0.29 3.59 7.41 0.00 -0.56 -4.97 105.19 111.66 1wxx n GLY 255 Ca 0.17 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.80 4.16 0.00 0.99 1.43 -0.31 -4.93 118.68 115.21 1wxx s LEU 256 Ca 0.05 0.28 0.16 0.00 -1.03 0.00 0.00 54.13 53.60 1wxx s LEU 256 Cb -0.02 -2.60 0.20 0.00 0.03 0.00 0.00 46.19 43.79 1wxx s LEU 256 CO 0.06 -0.35 1.10 0.61 0.23 0.00 0.00 176.35 178.00 1wxx n GLY 257 N 4.59 0.73 1.72 -3.19 0.00 -1.26 -4.47 105.19 103.31 1wxx n GLY 257 Ca -0.05 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 0.94 5.26 -4.34 1.61 6.94 -1.26 -4.86 115.26 119.55 1wxx n ASN 258 Ca 0.11 -2.72 -0.37 0.00 -0.02 0.00 0.00 54.58 51.58 1wxx n ASN 258 Cb 0.43 -0.63 -0.13 0.00 -2.36 0.00 0.00 39.78 37.09 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 -2.36 3.89 -0.21 3.53 1.01 -1.26 -1.28 120.40 123.73 1wxx s VAL 259 Ca 0.53 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 1wxx s VAL 259 Cb 0.38 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1wxx s VAL 259 CO 0.20 0.11 0.02 -0.60 0.00 0.00 0.00 175.10 174.83 1wxx s ARG 260 N 1.49 3.67 0.19 2.72 3.52 0.07 -4.99 118.95 125.62 1wxx s ARG 260 Ca 0.03 -0.49 -0.12 0.00 -0.13 0.00 0.00 55.73 55.01 1wxx s ARG 260 Cb -0.17 -3.13 -0.07 0.00 -1.56 0.00 0.00 34.95 30.01 1wxx s ARG 260 CO 0.02 0.01 0.56 0.14 -0.81 0.00 0.00 175.30 175.22 1wxx s VAL 261 N 1.02 4.87 -0.10 7.11 -7.23 -1.26 -0.83 120.40 123.99 1wxx s VAL 261 Ca 0.02 0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 60.85 1wxx s VAL 261 Cb -0.14 -3.68 0.05 0.00 0.56 0.00 0.00 36.38 33.17 1wxx s VAL 261 CO 0.02 0.08 0.10 -0.22 -0.31 0.00 0.00 175.10 174.77 1wxx s LEU 262 N -2.39 0.15 -0.32 1.32 2.96 0.42 -4.91 118.68 115.91 1wxx s LEU 262 Ca 0.43 -0.12 -0.24 0.00 -0.22 0.00 0.00 54.13 53.98 1wxx s LEU 262 Cb -0.13 -0.06 0.00 0.00 0.50 0.00 0.00 46.19 46.50 1wxx s LEU 262 CO 0.20 -0.29 0.82 -0.70 -1.32 0.00 0.00 176.35 175.07 1wxx s GLU 263 N 2.19 3.94 -0.10 1.98 2.12 -1.26 -2.64 118.70 124.93 1wxx s GLU 263 Ca 0.04 0.60 -0.32 0.00 0.36 0.00 0.00 54.97 55.64 1wxx s GLU 263 Cb -0.14 -3.74 0.12 0.00 0.26 0.00 0.00 34.13 30.63 1wxx s GLU 263 CO -0.06 -0.74 1.16 0.00 -0.54 0.00 0.00 175.26 175.08 1wxx s ALA 264 N 3.08 -2.05 -0.06 6.30 0.00 -1.02 -4.98 121.76 123.03 1wxx s ALA 264 Ca 0.34 1.19 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 1wxx s ALA 264 Cb -0.14 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 1wxx s ALA 264 CO 0.14 -0.75 1.15 1.21 0.00 0.00 0.00 175.76 177.51 1wxx s ASN 265 N -2.47 7.10 0.15 0.00 3.84 -1.26 -3.17 114.94 119.14 1wxx s ASN 265 Ca 0.10 1.77 -0.18 0.00 0.21 0.00 0.00 52.86 54.76 1wxx s ASN 265 Cb 0.00 -2.56 0.05 0.00 -0.55 0.00 0.00 41.25 38.19 1wxx s ASN 265 CO -0.05 -0.54 1.69 0.00 -2.79 0.00 0.00 177.10 175.41 1wxx h ALA 266 N 7.32 0.23 -0.26 1.71 0.00 -1.94 -0.84 119.26 125.48 1wxx h ALA 266 Ca -0.34 0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1wxx h ALA 266 Cb 1.16 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1wxx h ALA 266 CO 0.87 -0.45 0.09 0.74 0.00 0.00 0.00 179.25 180.49 1wxx h PHE 267 N 0.02 0.16 0.04 0.00 0.04 -2.00 -1.33 116.94 113.86 1wxx h PHE 267 Ca 0.15 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.94 1wxx h PHE 267 Cb 0.23 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1wxx h PHE 267 CO -0.29 0.07 -0.02 0.22 -0.60 0.00 0.00 178.31 177.70 1wxx h ASP 268 N 0.21 -0.05 -0.42 2.17 -0.00 -1.91 -2.90 116.42 113.52 1wxx h ASP 268 Ca 0.11 -0.02 0.03 0.00 -0.00 0.00 0.00 57.03 57.16 1wxx h ASP 268 Cb 0.08 0.01 -0.03 0.00 -0.00 0.00 0.00 39.33 39.39 1wxx h ASP 268 CO -0.12 -0.01 0.22 0.25 -0.00 0.00 0.00 179.24 179.57 1wxx h LEU 269 N -0.08 0.32 -1.47 2.28 5.85 -0.95 -1.51 115.31 119.76 1wxx h LEU 269 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1wxx h LEU 269 Cb 0.06 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1wxx h LEU 269 CO 0.01 0.23 0.34 -0.07 -0.34 0.00 0.00 178.44 178.61 1wxx h LEU 270 N 0.44 0.61 -0.01 2.25 3.38 -1.21 0.11 115.31 120.87 1wxx h LEU 270 Ca 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1wxx h LEU 270 Cb 0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1wxx h LEU 270 CO -0.12 0.45 -0.02 -0.09 0.09 0.00 0.00 178.44 178.75 1wxx h ARG 271 N 0.71 0.04 0.08 1.13 2.43 -1.25 -2.93 114.38 114.58 1wxx h ARG 271 Ca 0.19 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1wxx h ARG 271 Cb -0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1wxx h ARG 271 CO -0.04 0.56 -0.10 -0.09 -1.51 0.00 0.00 179.97 178.80 1wxx h ARG 272 N -0.49 -0.20 -0.72 0.20 2.43 -0.86 -2.42 114.38 112.32 1wxx h ARG 272 Ca 0.00 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.32 1wxx h ARG 272 Cb 0.56 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.06 1wxx h ARG 272 CO 0.00 -0.13 0.25 -0.07 -1.51 0.00 0.00 179.97 178.51 1wxx h LEU 273 N -0.21 0.20 0.72 3.80 3.38 -0.87 -0.50 115.31 121.83 1wxx h LEU 273 Ca 0.01 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1wxx h LEU 273 Cb 0.21 0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1wxx h LEU 273 CO -0.04 0.07 -0.35 -0.08 0.09 0.00 0.00 178.44 178.13 1wxx h GLU 274 N 0.39 -0.94 0.00 1.13 4.81 -1.30 0.41 114.58 119.08 1wxx h GLU 274 Ca 0.39 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 1wxx h GLU 274 Cb 0.61 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1wxx h GLU 274 CO -0.42 -0.62 0.00 0.87 -0.73 0.00 0.00 179.01 178.11 1wxx h LYS 275 N -0.98 0.00 -0.02 1.92 1.57 -1.05 0.21 116.57 118.21 1wxx h LYS 275 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1wxx h LYS 275 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1wxx h LYS 275 CO 0.16 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.43 1wxx n GLU 276 N -2.36 1.62 -0.88 3.15 1.02 -0.23 -4.91 120.64 118.05 1wxx n GLU 276 Ca -0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 1wxx n GLU 276 Cb 0.11 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 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 1.16 0.51 3.75 0.62 0.00 0.75 -5.03 105.19 106.96 1wxx n GLY 277 Ca 0.19 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.81 4.48 0.04 1.61 0.41 0.10 -5.02 118.70 119.51 1wxx s GLU 278 Ca 0.00 1.96 0.03 0.00 -0.41 0.00 0.00 54.97 56.55 1wxx s GLU 278 Cb 0.00 -3.19 -0.02 0.00 -1.78 0.00 0.00 34.13 29.14 1wxx s GLU 278 CO 0.00 -0.06 -0.10 1.03 -0.49 0.00 0.00 175.26 175.64 1wxx s ARG 279 N -0.81 0.64 0.10 1.61 1.81 -1.26 -4.57 118.95 116.46 1wxx s ARG 279 Ca 0.51 -0.69 0.02 0.00 -1.72 0.00 0.00 55.73 53.85 1wxx s ARG 279 Cb -0.35 -0.52 -0.04 0.00 -0.45 0.00 0.00 34.95 33.59 1wxx s ARG 279 CO 0.41 0.12 -0.08 -0.06 -0.68 0.00 0.00 175.30 175.01 1wxx s PHE 280 N -1.04 0.93 -0.72 -0.53 0.40 -0.14 -4.93 117.98 111.95 1wxx s PHE 280 Ca -0.04 -0.82 0.24 0.00 -0.60 0.00 0.00 56.93 55.71 1wxx s PHE 280 Cb -0.08 -0.52 0.36 0.00 0.51 0.00 0.00 43.02 43.29 1wxx s PHE 280 CO 0.01 -0.10 1.32 -0.25 0.70 0.00 0.00 175.22 176.90 1wxx n ASP 281 N 0.19 0.63 -3.64 1.36 8.00 -0.30 -1.93 116.55 120.86 1wxx n ASP 281 Ca -0.14 0.02 -0.14 0.00 0.71 0.00 0.00 54.79 55.24 1wxx n ASP 281 Cb 0.60 0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.86 1wxx n ASP 281 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1wxx s LEU 282 N -3.91 -0.60 -0.04 0.64 0.20 -1.17 -1.05 118.68 112.75 1wxx s LEU 282 Ca 0.07 1.37 0.01 0.00 0.69 0.00 0.00 54.13 56.27 1wxx s LEU 282 Cb 0.14 2.33 0.02 0.00 -0.43 0.00 0.00 46.19 48.26 1wxx s LEU 282 CO 0.72 -0.24 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.83 1wxx s VAL 283 N 0.41 0.38 -0.15 1.68 1.01 -0.35 -0.74 120.40 122.64 1wxx s VAL 283 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1wxx s VAL 283 Cb -0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 1wxx s VAL 283 CO 0.00 0.19 -0.07 -0.69 0.00 0.00 0.00 175.10 174.53 1wxx s VAL 284 N 0.93 3.56 -0.22 2.92 1.01 0.51 -1.24 120.40 127.88 1wxx s VAL 284 Ca -0.11 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1wxx s VAL 284 Cb -0.14 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.74 1wxx s VAL 284 CO -0.01 0.51 -0.15 -0.76 0.00 0.00 0.00 175.10 174.69 1wxx s LEU 285 N 0.36 2.83 -0.44 3.92 1.43 0.56 -0.84 118.68 126.49 1wxx s LEU 285 Ca -0.07 -1.02 0.09 0.00 -1.03 0.00 0.00 54.13 52.10 1wxx s LEU 285 Cb -0.15 -1.53 0.32 0.00 0.03 0.00 0.00 46.19 44.86 1wxx s LEU 285 CO 0.04 -0.10 0.73 -0.67 0.23 0.00 0.00 176.35 176.58 1wxx n ASP 286 N 4.53 1.64 -4.72 2.29 2.03 -1.15 -1.65 116.55 119.52 1wxx n ASP 286 Ca -0.17 -3.11 -0.31 0.00 0.52 0.00 0.00 54.79 51.72 1wxx n ASP 286 Cb 0.46 -0.62 0.12 0.00 -0.72 0.00 0.00 41.12 40.36 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 -2.36 1.74 0.97 -0.67 0.04 -1.26 -4.77 135.00 128.69 1wxx s PRO 287 Ca 0.41 1.38 -0.13 0.00 0.04 0.00 0.00 61.00 62.70 1wxx s PRO 287 Cb 0.28 -1.82 0.17 0.00 0.04 0.00 0.00 34.50 33.17 1wxx s PRO 287 CO -0.09 -2.07 1.12 -1.25 0.04 0.00 0.00 177.00 174.75 1wxx s PRO 288 N -4.69 0.64 -0.12 0.56 0.04 -1.26 -4.55 135.00 125.62 1wxx s PRO 288 Ca 0.65 0.37 -0.29 0.00 0.04 0.00 0.00 61.00 61.76 1wxx s PRO 288 Cb -0.20 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 1wxx s PRO 288 CO 0.55 -2.55 1.93 0.00 0.04 0.00 0.00 177.00 176.97 1wxx s ALA 289 N -3.12 3.23 -0.53 8.56 0.00 -1.26 -4.80 121.76 123.84 1wxx s ALA 289 Ca 0.65 0.90 0.25 0.00 0.00 0.00 0.00 51.96 53.76 1wxx s ALA 289 Cb -0.16 -3.91 0.58 0.00 0.00 0.00 0.00 23.12 19.62 1wxx s ALA 289 CO 0.56 -2.05 1.69 0.74 0.00 0.00 0.00 175.76 176.70 1wxx h PHE 290 N 11.96 0.00 -3.50 0.00 0.05 -1.94 -3.44 116.94 120.07 1wxx h PHE 290 Ca -0.42 0.00 -0.45 0.00 3.82 0.00 0.00 57.97 60.92 1wxx h PHE 290 Cb 1.21 0.00 -0.33 0.00 2.00 0.00 0.00 35.95 38.83 1wxx h PHE 290 CO 0.94 0.00 -0.79 0.00 -0.18 0.00 0.00 178.31 178.28 1wxx s ALA 291 N -3.19 0.90 -0.01 2.45 0.00 -1.26 -4.71 121.76 115.93 1wxx s ALA 291 Ca 0.08 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.85 1wxx s ALA 291 Cb 0.08 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1wxx s ALA 291 CO 0.63 0.06 0.04 1.17 0.00 0.00 0.00 175.76 177.66 1wxx n LYS 292 N 3.83 1.61 -4.31 0.00 4.81 -1.26 -4.45 118.16 118.39 1wxx n LYS 292 Ca -0.23 -0.01 -0.21 0.00 -0.87 0.00 0.00 58.31 56.98 1wxx n LYS 292 Cb 0.52 -1.07 -0.11 0.00 0.02 0.00 0.00 35.03 34.39 1wxx n LYS 292 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1wxx s GLY 293 N -2.76 1.33 0.37 3.14 0.00 -1.26 -4.89 107.32 103.26 1wxx s GLY 293 Ca -0.01 -1.44 0.14 0.00 0.00 0.00 0.00 44.72 43.41 1wxx s GLY 293 CO 0.11 -1.49 1.81 1.70 0.00 0.00 0.00 173.10 175.23 1wxx h LYS 294 N 3.35 0.51 0.00 2.90 3.64 -1.96 -0.63 116.57 124.38 1wxx h LYS 294 Ca -0.42 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1wxx h LYS 294 Cb 1.20 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1wxx h LYS 294 CO 0.50 0.34 0.00 0.87 -2.27 0.00 0.00 179.45 178.89 1wxx h LYS 295 N 0.53 0.00 0.00 1.90 1.57 -2.01 -2.80 116.57 115.76 1wxx h LYS 295 Ca 0.54 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.30 1wxx h LYS 295 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 1wxx h LYS 295 CO -0.28 0.00 -0.21 -0.44 -0.57 0.00 0.00 179.45 177.96 1wxx h ASP 296 N 0.00 0.00 -0.30 0.86 3.45 -1.50 -3.40 116.42 115.54 1wxx h ASP 296 Ca 0.00 0.00 0.07 0.00 0.43 0.00 0.00 57.03 57.53 1wxx h ASP 296 Cb 0.35 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 39.04 1wxx h ASP 296 CO 0.00 0.09 -0.33 0.58 -1.57 0.00 0.00 179.24 178.01 1wxx h VAL 297 N 0.00 0.24 -0.61 -1.35 2.07 -1.58 0.74 116.25 115.76 1wxx h VAL 297 Ca -0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1wxx h VAL 297 Cb 1.07 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 30.98 1wxx h VAL 297 CO 0.01 0.00 0.05 -0.08 0.02 0.00 0.00 177.57 177.57 1wxx h GLU 298 N -0.31 0.16 0.03 1.57 4.22 -1.81 0.26 114.58 118.70 1wxx h GLU 298 Ca 0.14 -0.01 -0.22 0.00 0.08 0.00 0.00 59.36 59.36 1wxx h GLU 298 Cb 0.54 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1wxx h GLU 298 CO -0.47 0.11 -0.97 0.00 -2.18 0.00 0.00 179.01 175.49 1wxx h ARG 299 N 0.16 0.20 -0.53 1.92 3.08 -1.79 -3.24 114.38 114.20 1wxx h ARG 299 Ca 0.32 -0.25 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1wxx h ARG 299 Cb 0.51 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1wxx h ARG 299 CO -0.48 1.02 -0.04 0.00 -1.07 0.00 0.00 179.97 179.40 1wxx h ALA 300 N 0.88 0.94 -0.85 0.04 0.00 0.12 -2.51 119.26 117.88 1wxx h ALA 300 Ca -0.06 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.59 1wxx h ALA 300 Cb 1.63 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1wxx h ALA 300 CO 0.15 0.63 0.54 -0.92 0.00 0.00 0.00 179.25 179.65 1wxx h TYR 301 N 0.84 1.00 -0.66 0.00 3.20 -0.57 -0.16 116.97 120.63 1wxx h TYR 301 Ca 0.15 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1wxx h TYR 301 Cb 0.56 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1wxx h TYR 301 CO 0.03 0.53 0.33 -0.09 -1.64 0.00 0.00 178.16 177.32 1wxx h ARG 302 N 1.00 0.94 -0.43 1.82 2.43 -1.50 -0.73 114.38 117.91 1wxx h ARG 302 Ca 0.36 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.28 1wxx h ARG 302 Cb 0.11 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1wxx h ARG 302 CO -0.15 0.73 -0.21 0.00 -1.51 0.00 0.00 179.97 178.83 1wxx h ALA 303 N 1.15 0.60 -0.46 2.80 0.00 -0.93 -2.13 119.26 120.28 1wxx h ALA 303 Ca 0.23 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1wxx h ALA 303 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1wxx h ALA 303 CO -0.03 0.57 0.08 1.88 0.00 0.00 0.00 179.25 181.75 1wxx h TYR 304 N 0.72 0.81 -0.71 0.00 0.05 -0.87 -2.62 116.97 114.34 1wxx h TYR 304 Ca 0.09 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 1wxx h TYR 304 Cb 0.77 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 1wxx h TYR 304 CO 0.06 0.75 0.44 -0.22 -1.05 0.00 0.00 178.16 178.14 1wxx h LYS 305 N 0.63 0.95 -0.44 4.88 3.64 -1.04 -1.35 116.57 123.84 1wxx h LYS 305 Ca 0.14 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1wxx h LYS 305 Cb 0.38 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1wxx h LYS 305 CO 0.01 0.66 0.20 1.49 -2.27 0.00 0.00 179.45 179.53 1wxx h GLU 306 N 0.96 0.65 -0.21 1.90 4.81 -1.25 0.22 114.58 121.65 1wxx h GLU 306 Ca 0.25 -0.11 -0.15 0.00 -0.13 0.00 0.00 59.36 59.23 1wxx h GLU 306 Cb -0.06 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1wxx h GLU 306 CO -0.05 0.57 -0.49 -0.24 -0.73 0.00 0.00 179.01 178.07 1wxx h VAL 307 N 0.57 1.31 -0.33 0.32 3.04 -1.31 -1.92 116.25 117.95 1wxx h VAL 307 Ca 0.15 -1.70 -0.15 0.00 -1.01 0.00 0.00 66.70 63.98 1wxx h VAL 307 Cb 0.15 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 31.11 1wxx h VAL 307 CO -0.02 0.53 -0.41 0.78 -1.01 0.00 0.00 177.57 177.45 1wxx h ASN 308 N 0.44 0.86 -0.31 3.17 2.35 -1.08 -1.54 115.58 119.48 1wxx h ASN 308 Ca 0.02 -0.40 -0.02 0.00 -0.55 0.00 0.00 56.30 55.35 1wxx h ASN 308 Cb 1.01 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 1wxx h ASN 308 CO 0.09 1.15 0.11 0.25 -1.65 0.00 0.00 177.43 177.39 1wxx h LEU 309 N 0.65 0.44 -0.80 1.61 5.85 -0.47 -1.04 115.31 121.55 1wxx h LEU 309 Ca 0.05 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 1wxx h LEU 309 Cb 0.97 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1wxx h LEU 309 CO 0.09 0.50 -0.07 0.03 -0.34 0.00 0.00 178.44 178.65 1wxx h ARG 310 N 0.35 0.83 -0.49 1.25 3.08 -1.29 -2.36 114.38 115.75 1wxx h ARG 310 Ca 0.10 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 1wxx h ARG 310 Cb 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1wxx h ARG 310 CO -0.01 0.88 0.11 0.00 -1.07 0.00 0.00 179.97 179.88 1wxx h ALA 311 N 1.16 0.64 -0.78 0.04 0.00 -1.11 -2.82 119.26 116.39 1wxx h ALA 311 Ca 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1wxx h ALA 311 Cb 0.56 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1wxx h ALA 311 CO 0.03 0.34 0.45 0.82 0.00 0.00 0.00 179.25 180.89 1wxx h ILE 312 N 0.67 1.22 0.00 0.00 2.04 -0.96 -1.93 117.51 118.55 1wxx h ILE 312 Ca 0.15 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1wxx h ILE 312 Cb 0.34 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1wxx h ILE 312 CO 0.00 0.24 -0.03 0.11 0.00 0.00 0.00 178.15 178.47 1wxx h LYS 313 N 1.08 0.00 -0.00 2.37 1.57 -1.22 -2.65 116.57 117.73 1wxx h LYS 313 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1wxx h LYS 313 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1wxx h LYS 313 CO -0.05 0.03 -0.22 1.28 -0.57 0.00 0.00 179.45 179.92 1wxx n LEU 314 N -3.16 0.29 -4.79 2.94 4.77 -0.73 -4.90 117.00 111.43 1wxx n LEU 314 Ca -0.00 0.21 -0.39 0.00 -0.03 0.00 0.00 56.01 55.79 1wxx n LEU 314 Cb 0.28 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1wxx n LEU 314 CO 0.27 0.07 0.39 -0.76 -1.33 0.00 0.00 177.39 176.02 1wxx s LEU 315 N -2.91 4.54 0.74 2.23 1.43 -1.00 -0.97 118.68 122.75 1wxx s LEU 315 Ca 0.15 1.45 -0.12 0.00 -1.03 0.00 0.00 54.13 54.58 1wxx s LEU 315 Cb 0.19 -3.11 0.04 0.00 0.03 0.00 0.00 46.19 43.33 1wxx s LEU 315 CO 0.59 0.21 1.11 -0.54 0.23 0.00 0.00 176.35 177.95 1wxx s LYS 316 N -0.96 2.57 0.30 1.70 1.02 -0.81 -4.88 119.74 118.67 1wxx s LYS 316 Ca 0.33 0.42 -0.30 0.00 0.02 0.00 0.00 55.97 56.44 1wxx s LYS 316 Cb -0.21 -1.99 -0.12 0.00 -0.52 0.00 0.00 37.83 34.99 1wxx s LYS 316 CO 0.23 -1.23 1.56 -1.91 -0.92 0.00 0.00 175.35 173.08 1wxx n GLU 317 N -3.13 2.63 -0.68 1.68 2.13 -1.26 -0.12 120.64 121.88 1wxx n GLU 317 Ca 0.07 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.82 1wxx n GLU 317 Cb 0.58 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.59 1wxx n GLU 317 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wxx n GLY 318 N 1.98 0.97 3.75 8.31 0.00 0.69 -5.00 105.19 115.89 1wxx n GLY 318 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.76 2.48 -0.15 -0.02 0.00 0.83 -4.61 107.32 104.09 1wxx s GLY 319 Ca 0.00 0.84 -0.04 0.00 0.00 0.00 0.00 44.72 45.52 1wxx s GLY 319 CO 0.00 1.22 -0.02 -0.42 0.00 0.00 0.00 173.10 173.88 1wxx s ILE 320 N -1.90 4.04 -0.21 0.90 -1.09 -0.21 -0.73 121.20 121.99 1wxx s ILE 320 Ca 0.73 -0.31 -0.02 0.00 -2.23 0.00 0.00 60.65 58.82 1wxx s ILE 320 Cb -0.27 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 1wxx s ILE 320 CO 0.37 0.50 -0.09 -0.22 -1.23 0.00 0.00 174.94 174.27 1wxx s LEU 321 N 0.27 2.65 -0.26 2.97 2.96 0.09 -1.21 118.68 126.13 1wxx s LEU 321 Ca -0.02 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.38 1wxx s LEU 321 Cb -0.14 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1wxx s LEU 321 CO 0.02 -0.01 -0.01 0.00 -1.32 0.00 0.00 176.35 175.04 1wxx s ALA 322 N 1.41 2.85 0.05 5.97 0.00 -0.37 -0.43 121.76 131.24 1wxx s ALA 322 Ca 0.05 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 50.64 1wxx s ALA 322 Cb -0.14 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 1wxx s ALA 322 CO -0.06 -0.81 -0.14 -0.08 0.00 0.00 0.00 175.76 174.67 1wxx s THR 323 N 1.41 1.11 0.20 0.00 -1.32 0.33 -0.33 115.64 117.04 1wxx s THR 323 Ca 0.02 -1.11 -0.08 0.00 -1.21 0.00 0.00 61.69 59.31 1wxx s THR 323 Cb -0.17 -1.03 -0.02 0.00 -1.51 0.00 0.00 72.50 69.78 1wxx s THR 323 CO -0.02 -0.07 0.30 0.00 -2.21 0.00 0.00 174.62 172.61 1wxx s ALA 324 N -1.00 0.27 -0.13 11.08 0.00 -0.66 -0.54 121.76 130.78 1wxx s ALA 324 Ca 0.00 -1.12 -0.09 0.00 0.00 0.00 0.00 51.96 50.75 1wxx s ALA 324 Cb -0.09 1.07 0.04 0.00 0.00 0.00 0.00 23.12 24.14 1wxx s ALA 324 CO 0.02 -0.69 0.32 0.45 0.00 0.00 0.00 175.76 175.85 1wxx s SER 325 N -3.04 -0.36 -0.18 0.00 0.15 -0.75 -4.44 113.70 105.09 1wxx s SER 325 Ca 0.25 0.67 0.17 0.00 0.70 0.00 0.00 55.95 57.73 1wxx s SER 325 Cb 0.03 0.61 0.48 0.00 -1.71 0.00 0.00 66.02 65.43 1wxx s SER 325 CO 0.06 -0.14 1.37 0.00 1.20 0.00 0.00 173.24 175.73 1wxx s SER 327 N -2.18 6.41 0.25 0.00 0.01 -1.19 -4.68 113.70 112.32 1wxx s SER 327 Ca 0.40 0.01 -0.03 0.00 1.31 0.00 0.00 55.95 57.65 1wxx s SER 327 Cb 0.33 -2.34 0.46 0.00 0.21 0.00 0.00 66.02 64.68 1wxx s SER 327 CO 0.07 -0.70 1.78 -0.74 0.41 0.00 0.00 173.24 174.06 1wxx h HIS 328 N 8.65 0.79 -0.13 2.43 2.76 -1.78 -3.40 115.15 124.47 1wxx h HIS 328 Ca -0.26 0.03 -0.62 0.00 -2.20 0.00 0.00 60.37 57.33 1wxx h HIS 328 Cb 1.10 -0.23 0.01 0.00 1.55 0.00 0.00 27.41 29.84 1wxx h HIS 328 CO 0.76 0.26 2.29 0.72 -1.30 0.00 0.00 177.93 180.65 1wxx n HIS 329 N -4.82 2.55 -3.67 5.26 8.25 -1.26 -4.85 115.22 116.68 1wxx n HIS 329 Ca 0.15 -2.08 -0.09 0.00 -0.26 0.00 0.00 57.72 55.45 1wxx n HIS 329 Cb 0.36 -2.09 -0.02 0.00 1.12 0.00 0.00 29.99 29.36 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 5.46 0.00 0.24 1.59 -4.23 -1.26 -4.94 115.64 112.51 1wxx s THR 331 Ca 0.57 -0.56 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 1wxx s THR 331 Cb 0.11 -1.58 0.25 0.00 1.34 0.00 0.00 72.50 72.62 1wxx s THR 331 CO 0.07 0.00 1.92 -0.08 -0.54 0.00 0.00 174.62 176.00 1wxx h GLU 332 N 2.00 1.29 -0.58 3.99 4.81 -1.94 0.36 114.58 124.52 1wxx h GLU 332 Ca -0.25 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 1wxx h GLU 332 Cb 1.27 -0.29 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 1wxx h GLU 332 CO 0.29 0.86 0.25 -1.35 -0.73 0.00 0.00 179.01 178.33 1wxx h PRO 333 N 1.33 0.85 -0.47 0.92 0.11 -2.00 -1.93 132.00 130.81 1wxx h PRO 333 Ca 0.36 -0.14 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 1wxx h PRO 333 Cb -0.15 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 30.80 1wxx h PRO 333 CO -0.08 0.71 -0.12 -0.07 -0.21 0.00 0.00 178.00 178.24 1wxx h LEU 334 N 0.79 0.87 -0.02 2.35 3.38 -1.85 -1.66 115.31 119.16 1wxx h LEU 334 Ca 0.20 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1wxx h LEU 334 Cb 0.16 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1wxx h LEU 334 CO -0.02 1.00 0.01 0.15 0.09 0.00 0.00 178.44 179.67 1wxx h PHE 335 N 0.78 0.03 0.00 1.13 3.57 -0.70 -2.89 116.94 118.86 1wxx h PHE 335 Ca 0.12 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 1wxx h PHE 335 Cb 0.64 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1wxx h PHE 335 CO 0.04 0.12 -0.34 1.88 -2.23 0.00 0.00 178.31 177.77 1wxx h TYR 336 N -0.07 0.00 0.00 0.41 0.05 -1.31 -1.75 116.97 114.30 1wxx h TYR 336 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1wxx h TYR 336 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1wxx h TYR 336 CO -0.04 0.34 0.00 0.00 -1.05 0.00 0.00 178.16 177.41 1wxx n ALA 337 N -2.29 2.02 0.00 3.88 0.00 -0.63 -1.89 120.51 121.59 1wxx n ALA 337 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 0.54 0.00 -0.19 0.00 0.31 -0.66 -1.30 118.33 117.03 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 0.24 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.20 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 0.70 -0.56 3.52 0.00 -1.65 -0.82 119.26 120.45 1wxx h ALA 340 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1wxx h ALA 340 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1wxx h ALA 340 CO 0.00 0.15 0.36 0.93 0.00 0.00 0.00 179.25 180.70 1wxx h GLU 341 N 0.75 0.71 -0.56 0.00 5.08 -1.46 -0.05 114.58 119.05 1wxx h GLU 341 Ca 0.20 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1wxx h GLU 341 Cb -0.06 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1wxx h GLU 341 CO -0.04 0.47 0.33 0.00 -1.00 0.00 0.00 179.01 178.77 1wxx h ALA 342 N 1.22 0.71 -0.52 3.43 0.00 -1.73 0.01 119.26 122.38 1wxx h ALA 342 Ca 0.21 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1wxx h ALA 342 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1wxx h ALA 342 CO -0.06 0.20 0.13 0.00 0.00 0.00 0.00 179.25 179.52 1wxx h ALA 343 N 1.16 0.68 -0.62 0.00 0.00 -0.77 -0.89 119.26 118.81 1wxx h ALA 343 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1wxx h ALA 343 Cb -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1wxx h ALA 343 CO -0.04 0.37 0.26 1.96 0.00 0.00 0.00 179.25 181.80 1wxx h GLN 344 N 0.72 0.93 -0.01 0.00 4.20 -0.68 -1.47 115.11 118.79 1wxx h GLN 344 Ca 0.16 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1wxx h GLN 344 Cb 0.32 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1wxx h GLN 344 CO 0.00 0.77 -0.44 -0.44 -0.67 0.00 0.00 178.83 178.05 1wxx h ASP 345 N 0.87 0.03 0.52 1.46 3.32 -0.78 -2.58 116.42 119.25 1wxx h ASP 345 Ca 0.21 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1wxx h ASP 345 Cb 0.18 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1wxx h ASP 345 CO -0.02 0.46 -0.11 0.00 -1.72 0.00 0.00 179.24 177.86 1wxx n ALA 346 N -2.46 2.71 -3.49 3.45 0.00 -0.36 -4.92 120.51 115.45 1wxx n ALA 346 Ca -0.02 -0.22 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 1wxx n ALA 346 Cb 0.47 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.17 -2.68 -5.02 0.00 8.25 -0.62 -4.98 115.22 109.00 1wxx n HIS 347 Ca 0.12 0.92 -0.29 0.00 -0.26 0.00 0.00 57.72 58.21 1wxx n HIS 347 Cb 0.29 -4.84 -0.17 0.00 1.12 0.00 0.00 29.99 26.39 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 -6.19 2.44 -0.19 -0.41 1.81 -0.79 -5.06 118.95 110.55 1wxx s ARG 348 Ca 0.53 -0.73 -0.21 0.00 -1.72 0.00 0.00 55.73 53.59 1wxx s ARG 348 Cb -0.23 -1.95 -0.02 0.00 -0.45 0.00 0.00 34.95 32.30 1wxx s ARG 348 CO 0.66 0.20 0.66 -1.17 -0.68 0.00 0.00 175.30 174.96 1wxx s LEU 349 N 0.26 4.15 -0.14 2.53 2.96 -1.26 -4.51 118.68 122.68 1wxx s LEU 349 Ca -0.12 0.88 -0.01 0.00 -0.22 0.00 0.00 54.13 54.66 1wxx s LEU 349 Cb -0.16 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.59 1wxx s LEU 349 CO 0.06 -0.29 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.92 1wxx s LEU 350 N 1.92 2.74 0.05 -0.68 1.43 -1.26 -0.69 118.68 122.19 1wxx s LEU 350 Ca 0.30 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 52.87 1wxx s LEU 350 Cb -0.16 -1.63 -0.06 0.00 0.03 0.00 0.00 46.19 44.37 1wxx s LEU 350 CO 0.11 0.15 0.58 -0.60 0.23 0.00 0.00 176.35 176.82 1wxx s ARG 351 N 0.45 4.24 -0.44 1.70 3.52 0.45 -4.87 118.95 124.02 1wxx s ARG 351 Ca -0.09 0.75 -0.26 0.00 -0.13 0.00 0.00 55.73 55.99 1wxx s ARG 351 Cb -0.16 -3.27 0.02 0.00 -1.56 0.00 0.00 34.95 29.99 1wxx s ARG 351 CO 0.05 0.56 0.97 0.08 -0.81 0.00 0.00 175.30 176.15 1wxx s VAL 352 N -0.85 4.45 -0.14 7.11 1.01 -1.26 -1.13 120.40 129.58 1wxx s VAL 352 Ca 0.30 0.97 -0.28 0.00 0.00 0.00 0.00 61.98 62.97 1wxx s VAL 352 Cb -0.19 -4.44 -0.25 0.00 0.00 0.00 0.00 36.38 31.49 1wxx s VAL 352 CO 0.19 -0.78 0.71 0.58 0.00 0.00 0.00 175.10 175.80 1wxx h VAL 353 N 6.03 1.69 -1.95 2.92 2.07 -1.07 -3.48 116.25 122.46 1wxx h VAL 353 Ca -0.24 -2.34 -0.03 0.00 0.82 0.00 0.00 66.70 64.92 1wxx h VAL 353 Cb 1.07 3.26 -0.21 0.00 -1.52 0.00 0.00 31.29 33.89 1wxx h VAL 353 CO 1.03 0.58 0.17 -0.70 0.02 0.00 0.00 177.57 178.68 1wxx s GLU 354 N -2.24 0.83 -0.23 1.57 2.12 -1.03 -4.99 118.70 114.72 1wxx s GLU 354 Ca -0.20 0.87 -0.02 0.00 0.36 0.00 0.00 54.97 55.97 1wxx s GLU 354 Cb -0.02 0.40 0.01 0.00 0.26 0.00 0.00 34.13 34.79 1wxx s GLU 354 CO 0.68 -0.12 -0.06 0.15 -0.54 0.00 0.00 175.26 175.37 1wxx s LYS 355 N 0.17 3.06 0.14 4.30 1.02 -1.26 -0.89 119.74 126.28 1wxx s LYS 355 Ca -0.01 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.16 1wxx s LYS 355 Cb -0.04 -2.97 -0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1wxx s LYS 355 CO 0.01 -0.31 0.03 0.54 -0.92 0.00 0.00 175.35 174.71 1wxx n ARG 356 N 4.72 1.03 0.00 1.68 1.74 0.19 -5.02 116.66 121.00 1wxx n ARG 356 Ca -0.17 -1.11 0.00 0.00 -0.77 0.00 0.00 57.85 55.80 1wxx n ARG 356 Cb 0.49 0.52 0.00 0.00 -1.02 0.00 0.00 32.46 32.45 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 1.80 2.47 3.76 -0.13 0.00 -1.26 -2.07 105.19 109.76 1wxx n GLY 357 Ca -0.03 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 4.41 4.71 1.03 1.61 -0.21 -1.26 -4.79 119.66 125.16 1wxx s GLN 358 Ca 0.00 1.51 -0.15 0.00 0.02 0.00 0.00 55.36 56.73 1wxx s GLN 358 Cb 0.00 -3.09 0.21 0.00 1.00 0.00 0.00 33.01 31.12 1wxx s GLN 358 CO 0.00 0.36 1.15 -1.25 -2.12 0.00 0.00 175.29 173.43 1wxx s PRO 359 N -1.53 0.12 0.47 2.91 0.04 -1.26 -4.90 135.00 130.84 1wxx s PRO 359 Ca 0.45 0.08 0.15 0.00 0.04 0.00 0.00 61.00 61.73 1wxx s PRO 359 Cb -0.25 -1.74 1.12 0.00 0.04 0.00 0.00 34.50 33.67 1wxx s PRO 359 CO 0.31 -2.84 2.03 0.27 0.04 0.00 0.00 177.00 176.81 1wxx h PHE 360 N -1.96 0.27 0.00 0.56 -0.00 -1.99 -1.95 116.94 111.87 1wxx h PHE 360 Ca -0.48 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.49 1wxx h PHE 360 Cb 1.30 -0.09 0.00 0.00 -0.00 0.00 0.00 35.95 37.16 1wxx h PHE 360 CO -0.76 0.14 0.00 -0.40 -0.00 0.00 0.00 178.31 177.29 1wxx n ASP 361 N -4.47 0.00 -3.18 -0.68 3.85 -1.26 -3.47 116.55 107.35 1wxx n ASP 361 Ca 0.06 -1.25 -0.24 0.00 -0.71 0.00 0.00 54.79 52.65 1wxx n ASP 361 Cb 0.31 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 40.02 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 -0.84 2.19 -1.62 2.11 8.25 -0.73 -4.59 115.22 119.98 1wxx n HIS 362 Ca 0.16 -3.91 -0.43 0.00 -0.26 0.00 0.00 57.72 53.27 1wxx n HIS 362 Cb 0.07 -0.47 -0.00 0.00 1.12 0.00 0.00 29.99 30.71 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 0.51 1.52 -4.90 -0.41 -0.04 -1.23 -4.63 135.00 125.82 1wxx n PRO 363 Ca 0.27 0.54 -0.33 0.00 -0.04 0.00 0.00 63.50 63.94 1wxx n PRO 363 Cb 0.48 -2.02 -0.14 0.00 -0.04 0.00 0.00 33.50 31.79 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 -1.15 2.94 -0.17 0.52 1.01 -1.26 -4.42 120.40 117.87 1wxx s VAL 364 Ca 0.59 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1wxx s VAL 364 Cb -0.62 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1wxx s VAL 364 CO 0.59 0.57 -0.02 -0.76 0.00 0.00 0.00 175.10 175.48 1wxx s LEU 365 N -0.37 3.24 0.26 3.92 1.43 -1.26 -5.01 118.68 120.89 1wxx s LEU 365 Ca 0.04 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1wxx s LEU 365 Cb -0.12 -1.80 0.34 0.00 0.03 0.00 0.00 46.19 44.64 1wxx s LEU 365 CO 0.02 0.12 1.85 0.25 0.23 0.00 0.00 176.35 178.82 1wxx h LEU 366 N 7.05 0.93 -0.11 1.79 5.85 -1.98 -2.85 115.31 125.97 1wxx h LEU 366 Ca -0.33 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1wxx h LEU 366 Cb 1.18 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1wxx h LEU 366 CO 0.62 0.81 0.00 0.59 -0.34 0.00 0.00 178.44 180.12 1wxx n ASN 367 N -4.31 0.55 -3.70 1.25 4.13 -1.26 -4.17 115.26 107.75 1wxx n ASN 367 Ca 0.06 0.57 -0.27 0.00 1.68 0.00 0.00 54.58 56.62 1wxx n ASN 367 Cb 0.16 -0.71 -0.11 0.00 -1.54 0.00 0.00 39.78 37.58 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 -2.04 2.28 -0.33 3.10 -0.00 -1.08 -4.09 115.22 113.07 1wxx n HIS 368 Ca 0.05 -4.05 0.26 0.00 0.46 0.00 0.00 57.72 54.44 1wxx n HIS 368 Cb 0.36 -0.42 0.49 0.00 -0.12 0.00 0.00 29.99 30.30 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 5.21 0.11 0.00 1.57 0.11 -1.72 -1.18 132.00 136.10 1wxx h PRO 369 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1wxx h PRO 369 Cb 0.78 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1wxx h PRO 369 CO 0.65 0.07 0.15 0.93 -0.21 0.00 0.00 178.00 179.60 1wxx h GLU 370 N 0.11 0.00 0.00 1.05 3.07 -1.94 -0.46 114.58 116.41 1wxx h GLU 370 Ca 0.76 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.62 1wxx h GLU 370 Cb 1.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.77 1wxx h GLU 370 CO -0.73 0.00 0.00 1.79 -1.40 0.00 0.00 179.01 178.67 1wxx h THR 371 N 0.00 0.00 -3.65 1.13 1.35 -1.51 -3.42 112.91 106.81 1wxx h THR 371 Ca 0.00 -0.76 -0.69 0.00 -0.55 0.00 0.00 66.41 64.41 1wxx h THR 371 Cb 0.31 1.75 -0.20 0.00 -1.73 0.00 0.00 68.15 68.28 1wxx h THR 371 CO 0.00 0.00 -0.47 -2.28 -0.25 0.00 0.00 175.52 172.52 1wxx s HIS 372 N -3.34 3.23 0.00 4.73 5.65 -0.18 -4.73 115.29 120.64 1wxx s HIS 372 Ca 0.05 -0.36 0.00 0.00 0.25 0.00 0.00 55.06 55.01 1wxx s HIS 372 Cb 0.07 -2.50 0.00 0.00 -1.18 0.00 0.00 32.58 28.97 1wxx s HIS 372 CO 0.61 -0.44 0.00 2.48 -0.65 0.00 0.00 174.74 176.74 1wxx n TYR 373 N 5.11 0.00 -3.87 3.88 0.18 -1.26 -4.68 117.16 116.53 1wxx n TYR 373 Ca -0.12 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.31 1wxx n TYR 373 Cb 0.49 0.00 -0.10 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 -1.58 3.90 -0.07 -3.48 2.96 -1.26 -3.18 118.68 115.97 1wxx s LEU 374 Ca 0.00 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 1wxx s LEU 374 Cb 0.00 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 1wxx s LEU 374 CO 0.00 0.13 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.41 1wxx s LYS 375 N 0.64 2.48 -0.05 1.98 3.01 -0.38 -3.99 119.74 123.43 1wxx s LYS 375 Ca 0.05 -0.77 -0.01 0.00 -1.01 0.00 0.00 55.97 54.23 1wxx s LYS 375 Cb -0.13 -2.00 0.03 0.00 -1.01 0.00 0.00 37.83 34.72 1wxx s LYS 375 CO 0.01 0.23 0.01 0.12 0.51 0.00 0.00 175.35 176.24 1wxx s PHE 376 N 0.17 0.44 0.04 3.18 5.36 -0.88 -1.81 117.98 124.48 1wxx s PHE 376 Ca -0.11 -0.03 0.03 0.00 -0.96 0.00 0.00 56.93 55.87 1wxx s PHE 376 Cb -0.15 -0.61 -0.02 0.00 -0.34 0.00 0.00 43.02 41.90 1wxx s PHE 376 CO 0.05 -0.23 -0.10 0.00 -1.46 0.00 0.00 175.22 173.48 1wxx s ALA 377 N 1.67 0.80 -0.07 11.12 0.00 0.29 0.56 121.76 136.14 1wxx s ALA 377 Ca -0.00 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1wxx s ALA 377 Cb -0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 1wxx s ALA 377 CO -0.03 0.10 -0.22 0.08 0.00 0.00 0.00 175.76 175.69 1wxx s VAL 378 N -0.98 1.83 0.14 0.00 1.01 -0.07 -0.52 120.40 121.82 1wxx s VAL 378 Ca -0.03 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1wxx s VAL 378 Cb -0.08 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1wxx s VAL 378 CO 0.01 0.51 -0.05 -0.36 0.00 0.00 0.00 175.10 175.21 1wxx s PHE 379 N 0.09 1.15 -0.05 5.22 0.40 0.42 -0.42 117.98 124.80 1wxx s PHE 379 Ca -0.09 -0.89 0.03 0.00 -0.60 0.00 0.00 56.93 55.38 1wxx s PHE 379 Cb -0.15 -0.63 0.00 0.00 0.51 0.00 0.00 43.02 42.76 1wxx s PHE 379 CO 0.05 -0.08 -0.14 -1.14 0.70 0.00 0.00 175.22 174.61 1wxx s GLN 380 N -3.83 1.58 0.00 0.44 0.74 -0.28 -0.73 119.66 117.58 1wxx s GLN 380 Ca 0.18 -0.47 -0.30 0.00 0.05 0.00 0.00 55.36 54.81 1wxx s GLN 380 Cb 0.05 -1.36 -0.04 0.00 1.10 0.00 0.00 33.01 32.75 1wxx s GLN 380 CO 0.00 0.14 1.14 0.08 -0.55 0.00 0.00 175.29 176.10 1wxx s VAL 381 N 0.30 4.34 -2.67 1.34 1.01 0.09 -0.41 120.40 124.39 1wxx s VAL 381 Ca -0.08 1.67 0.21 0.00 0.00 0.00 0.00 61.98 63.78 1wxx s VAL 381 Cb -0.12 -4.07 0.17 0.00 0.00 0.00 0.00 36.38 32.35 1wxx s VAL 381 CO 0.02 0.08 1.18 0.18 0.00 0.00 0.00 175.10 176.57