#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpq s SER 3 N 0.00 6.52 0.20 0.00 1.04 -1.26 -4.99 113.70 115.21 1wpq s SER 3 Ca 0.00 2.21 -0.28 0.00 0.48 0.00 0.00 55.95 58.36 1wpq s SER 3 Cb 0.00 -2.60 -0.08 0.00 0.10 0.00 0.00 66.02 63.44 1wpq s SER 3 CO 0.00 -0.66 0.86 -0.54 0.98 0.00 0.00 173.24 173.88 1wpq s LYS 4 N -2.47 4.72 -0.05 4.02 -0.14 -0.05 -4.58 119.74 121.19 1wpq s LYS 4 Ca 0.59 1.33 -0.16 0.00 -1.36 0.00 0.00 55.97 56.37 1wpq s LYS 4 Cb -0.27 -3.27 -0.05 0.00 -1.68 0.00 0.00 37.83 32.56 1wpq s LYS 4 CO 0.33 0.54 0.42 0.15 -0.76 0.00 0.00 175.35 176.03 1wpq s LYS 5 N -1.14 4.08 -0.06 1.68 1.02 -1.26 -0.08 119.74 123.99 1wpq s LYS 5 Ca 0.39 0.40 0.04 0.00 0.02 0.00 0.00 55.97 56.81 1wpq s LYS 5 Cb -0.25 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.74 1wpq s LYS 5 CO 0.29 0.49 -0.18 0.08 -0.92 0.00 0.00 175.35 175.11 1wpq s VAL 6 N -0.43 2.74 -0.09 3.17 1.01 -1.26 -0.37 120.40 125.17 1wpq s VAL 6 Ca 0.24 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1wpq s VAL 6 Cb -0.16 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1wpq s VAL 6 CO 0.12 0.58 -0.15 0.00 0.00 0.00 0.00 175.10 175.64 1wpq s ILE 8 N 0.77 5.23 -0.71 0.00 1.01 0.41 -1.23 121.20 126.67 1wpq s ILE 8 Ca -0.12 -0.81 -0.21 0.00 0.00 0.00 0.00 60.65 59.51 1wpq s ILE 8 Cb -0.16 -4.04 0.09 0.00 0.01 0.00 0.00 42.46 38.37 1wpq s ILE 8 CO 0.02 -0.45 0.94 -0.69 0.00 0.00 0.00 174.94 174.76 1wpq s VAL 9 N 1.72 4.54 0.00 2.92 1.01 0.14 -0.59 120.40 130.14 1wpq s VAL 9 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1wpq s VAL 9 Cb -0.21 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.51 1wpq s VAL 9 CO 0.09 -1.39 0.00 0.61 0.00 0.00 0.00 175.10 174.41 1wpq n GLY 10 N 5.34 4.39 0.90 4.51 0.00 -1.19 -0.60 105.19 118.55 1wpq n GLY 10 Ca 0.01 -1.41 -0.02 0.00 0.00 0.00 0.00 46.02 44.60 1wpq n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wpq n SER 11 N 0.00 -0.28 -2.17 1.61 3.41 -1.26 -4.52 113.62 110.41 1wpq n SER 11 Ca 0.00 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 1wpq n SER 11 Cb 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1wpq n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wpq n GLY 12 N 0.09 0.75 0.43 5.00 0.00 -1.26 -4.10 105.19 106.09 1wpq n GLY 12 Ca -0.12 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 1wpq n GLY 12 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1wpq h ASN 13 N 0.00 -1.57 -0.05 1.61 -0.00 -1.97 0.59 115.58 114.19 1wpq h ASN 13 Ca 0.00 0.21 -0.06 0.00 -0.00 0.00 0.00 56.30 56.45 1wpq h ASN 13 Cb 0.00 0.65 0.00 0.00 -0.00 0.00 0.00 38.32 38.97 1wpq h ASN 13 CO 0.00 -0.42 -0.21 -0.25 -0.00 0.00 0.00 177.43 176.55 1wpq h TRP 14 N -0.43 0.31 -0.92 0.67 -0.00 -1.92 -2.70 115.95 110.95 1wpq h TRP 14 Ca 0.09 -0.13 0.16 0.00 -0.00 0.00 0.00 58.89 59.01 1wpq h TRP 14 Cb 0.62 -0.05 -0.10 0.00 -0.00 0.00 0.00 29.16 29.63 1wpq h TRP 14 CO -0.61 0.84 0.52 0.78 -0.00 0.00 0.00 178.44 179.97 1wpq h GLY 15 N -0.32 1.56 1.27 2.65 0.00 -1.74 0.25 103.07 106.75 1wpq h GLY 15 Ca -0.01 -0.31 -0.20 0.00 0.00 0.00 0.00 47.33 46.81 1wpq h GLY 15 CO 0.04 -0.03 -0.69 1.76 0.00 0.00 0.00 176.54 177.62 1wpq h SER 16 N 0.71 0.85 -0.36 0.19 0.02 0.15 -1.65 113.55 113.45 1wpq h SER 16 Ca 0.51 -0.52 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1wpq h SER 16 Cb 0.73 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1wpq h SER 16 CO -0.36 1.30 0.16 0.00 -1.14 0.00 0.00 176.83 176.79 1wpq h ALA 17 N 0.69 0.46 -0.84 3.77 0.00 -0.89 -2.19 119.26 120.27 1wpq h ALA 17 Ca -0.03 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1wpq h ALA 17 Cb 1.30 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1wpq h ALA 17 CO 0.14 0.04 0.55 0.97 0.00 0.00 0.00 179.25 180.96 1wpq h ILE 18 N 0.44 1.15 -0.91 0.00 6.09 -0.50 -1.36 117.51 122.42 1wpq h ILE 18 Ca 0.12 -0.36 0.07 0.00 -1.37 0.00 0.00 64.86 63.31 1wpq h ILE 18 Cb 0.15 -0.00 -0.06 0.00 0.47 0.00 0.00 36.82 37.37 1wpq h ILE 18 CO -0.01 0.19 0.57 0.00 -3.07 0.00 0.00 178.15 175.83 1wpq h ALA 19 N 1.50 1.26 -0.31 0.18 0.00 -0.68 0.42 119.26 121.63 1wpq h ALA 19 Ca 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1wpq h ALA 19 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1wpq h ALA 19 CO -0.09 0.32 0.17 0.87 0.00 0.00 0.00 179.25 180.52 1wpq h LYS 20 N 1.03 0.43 -0.11 0.00 1.57 -0.89 0.84 116.57 119.44 1wpq h LYS 20 Ca 0.40 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.11 1wpq h LYS 20 Cb 0.19 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1wpq h LYS 20 CO -0.18 0.36 -0.00 0.82 -0.57 0.00 0.00 179.45 179.88 1wpq h ILE 21 N 0.39 1.26 -0.46 1.86 2.04 -0.97 -1.28 117.51 120.35 1wpq h ILE 21 Ca 0.11 -0.82 -0.14 0.00 1.00 0.00 0.00 64.86 65.00 1wpq h ILE 21 Cb 0.05 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1wpq h ILE 21 CO -0.02 0.24 -0.27 0.58 0.00 0.00 0.00 178.15 178.68 1wpq h VAL 22 N -0.07 1.27 -0.30 1.67 2.07 -0.12 -2.07 116.25 118.69 1wpq h VAL 22 Ca 0.03 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 1wpq h VAL 22 Cb 0.37 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1wpq h VAL 22 CO 0.01 0.49 0.17 1.23 0.02 0.00 0.00 177.57 179.49 1wpq h GLY 23 N 0.84 0.45 1.01 2.17 0.00 0.71 -0.75 103.07 107.50 1wpq h GLY 23 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1wpq h GLY 23 CO 0.08 0.20 0.50 -1.33 0.00 0.00 0.00 176.54 175.99 1wpq h GLY 24 N 0.37 1.11 1.18 4.60 0.00 -1.13 -2.47 103.07 106.73 1wpq h GLY 24 Ca 0.11 -0.43 -0.21 0.00 0.00 0.00 0.00 47.33 46.79 1wpq h GLY 24 CO -0.02 0.42 -0.72 3.43 0.00 0.00 0.00 176.54 179.65 1wpq h ASN 25 N 1.06 0.95 -0.56 0.19 -0.26 -1.18 -2.72 115.58 113.07 1wpq h ASN 25 Ca 0.28 -0.60 -0.02 0.00 -0.56 0.00 0.00 56.30 55.40 1wpq h ASN 25 Cb -0.10 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 36.85 1wpq h ASN 25 CO -0.06 1.40 0.27 0.00 -1.06 0.00 0.00 177.43 177.98 1wpq h ALA 26 N 0.59 1.36 -0.03 -0.83 0.00 -1.06 0.33 119.26 119.63 1wpq h ALA 26 Ca -0.04 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 1wpq h ALA 26 Cb 1.35 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1wpq h ALA 26 CO 0.15 0.49 -0.80 0.00 0.00 0.00 0.00 179.25 179.09 1wpq h ALA 27 N 1.46 0.56 0.00 0.00 0.00 -1.45 -3.29 119.26 116.54 1wpq h ALA 27 Ca 0.21 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wpq h ALA 27 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wpq h ALA 27 CO -0.02 0.82 -1.06 0.00 0.00 0.00 0.00 179.25 178.98 1wpq n GLN 28 N -3.77 0.53 -4.07 0.00 10.64 -1.03 -4.90 117.38 114.78 1wpq n GLN 28 Ca -0.04 0.07 -0.36 0.00 -1.83 0.00 0.00 57.00 54.84 1wpq n GLN 28 Cb 0.75 -1.75 -0.07 0.00 -0.86 0.00 0.00 30.24 28.31 1wpq n GLN 28 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1wpq s LEU 29 N -4.95 4.07 0.08 2.61 1.43 0.11 -5.02 118.68 117.01 1wpq s LEU 29 Ca 0.00 0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 53.29 1wpq s LEU 29 Cb 0.11 -1.97 -0.19 0.00 0.03 0.00 0.00 46.19 44.16 1wpq s LEU 29 CO 0.80 0.39 1.24 0.00 0.23 0.00 0.00 176.35 179.01 1wpq h ALA 30 N 5.11 0.21 0.00 4.21 0.00 -1.87 -3.23 119.26 123.70 1wpq h ALA 30 Ca -0.53 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1wpq h ALA 30 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wpq h ALA 30 CO 0.57 0.64 0.00 0.00 0.00 0.00 0.00 179.25 180.46 1wpq n GLN 31 N -3.94 0.01 -5.14 0.00 0.00 -1.26 -4.58 117.38 102.47 1wpq n GLN 31 Ca -0.09 0.42 -0.32 0.00 0.00 0.00 0.00 57.00 57.01 1wpq n GLN 31 Cb 0.79 -1.53 -0.16 0.00 0.00 0.00 0.00 30.24 29.34 1wpq n GLN 31 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1wpq s PHE 32 N -3.03 2.53 0.16 2.61 0.40 -1.22 -0.87 117.98 118.56 1wpq s PHE 32 Ca 0.02 -0.63 -0.31 0.00 -0.60 0.00 0.00 56.93 55.40 1wpq s PHE 32 Cb 0.04 -1.64 -0.11 0.00 0.51 0.00 0.00 43.02 41.82 1wpq s PHE 32 CO 0.10 -0.16 1.71 0.34 0.70 0.00 0.00 175.22 177.91 1wpq s ASP 33 N -0.17 6.47 0.57 1.36 -1.08 0.89 -4.78 116.67 119.93 1wpq s ASP 33 Ca -0.03 2.73 0.26 0.00 -0.52 0.00 0.00 52.55 54.99 1wpq s ASP 33 Cb -0.14 -2.58 1.65 0.00 -1.46 0.00 0.00 42.92 40.39 1wpq s ASP 33 CO 0.04 -0.94 2.22 1.55 0.52 0.00 0.00 175.17 178.56 1wpq h PRO 34 N 7.50 0.00 -6.53 4.34 0.13 -1.88 -3.40 132.00 132.16 1wpq h PRO 34 Ca -0.44 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.13 1wpq h PRO 34 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1wpq h PRO 34 CO 0.94 0.00 0.90 0.50 -0.23 0.00 0.00 178.00 180.11 1wpq s ARG 35 N -4.75 3.88 -0.23 0.86 3.52 -1.26 -4.63 118.95 116.33 1wpq s ARG 35 Ca -0.05 0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 56.35 1wpq s ARG 35 Cb 0.16 -3.83 0.02 0.00 -1.56 0.00 0.00 34.95 29.73 1wpq s ARG 35 CO 0.58 -1.17 -0.09 0.08 -0.81 0.00 0.00 175.30 173.90 1wpq s VAL 36 N 4.12 2.77 0.40 7.11 1.01 -1.06 -4.45 120.40 130.30 1wpq s VAL 36 Ca 0.47 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1wpq s VAL 36 Cb -0.10 -2.34 -0.06 0.00 0.00 0.00 0.00 36.38 33.88 1wpq s VAL 36 CO 0.24 0.30 0.75 0.42 0.00 0.00 0.00 175.10 176.81 1wpq s THR 37 N 1.34 4.82 -0.13 3.92 -4.23 -1.12 -0.15 115.64 120.09 1wpq s THR 37 Ca 0.02 0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 61.01 1wpq s THR 37 Cb -0.16 -3.74 0.05 0.00 1.34 0.00 0.00 72.50 70.00 1wpq s THR 37 CO -0.06 -0.52 0.10 -0.32 -0.54 0.00 0.00 174.62 173.27 1wpq s MET 38 N -3.89 0.03 0.16 3.99 1.75 0.36 -0.45 119.30 121.25 1wpq s MET 38 Ca 0.50 0.10 -0.31 0.00 -1.25 0.00 0.00 55.69 54.74 1wpq s MET 38 Cb -0.10 -1.34 -0.08 0.00 2.84 0.00 0.00 34.83 36.15 1wpq s MET 38 CO 0.32 -0.56 1.36 -0.46 -0.65 0.00 0.00 175.02 175.04 1wpq s TRP 39 N 2.17 3.23 -0.22 4.11 -0.00 0.25 -1.61 118.94 126.87 1wpq s TRP 39 Ca 0.03 1.06 -0.00 0.00 -0.00 0.00 0.00 56.10 57.19 1wpq s TRP 39 Cb -0.15 -3.66 0.06 0.00 -0.00 0.00 0.00 33.47 29.72 1wpq s TRP 39 CO -0.07 -2.21 -0.03 0.08 -0.00 0.00 0.00 176.95 174.71 1wpq s VAL 40 N 0.65 1.28 -0.24 5.86 1.01 -0.88 -3.15 120.40 124.92 1wpq s VAL 40 Ca 0.61 -1.03 -0.33 0.00 0.00 0.00 0.00 61.98 61.23 1wpq s VAL 40 Cb -0.37 -1.59 -0.10 0.00 0.00 0.00 0.00 36.38 34.33 1wpq s VAL 40 CO 0.34 -0.11 2.12 0.33 0.00 0.00 0.00 175.10 177.79 1wpq n PHE 41 N 4.77 1.90 -1.72 5.22 -0.00 -1.26 -4.28 117.46 122.08 1wpq n PHE 41 Ca -0.11 0.09 -0.42 0.00 -0.00 0.00 0.00 57.45 57.00 1wpq n PHE 41 Cb 0.45 -2.62 -0.01 0.00 -0.00 0.00 0.00 39.48 37.30 1wpq n PHE 41 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1wpq n GLU 42 N 7.96 2.34 -3.90 -4.13 4.07 -1.26 -4.98 120.64 120.75 1wpq n GLU 42 Ca 0.33 0.82 -0.11 0.00 -0.06 0.00 0.00 57.16 58.14 1wpq n GLU 42 Cb 0.31 -2.47 -0.11 0.00 -0.06 0.00 0.00 31.44 29.11 1wpq n GLU 42 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1wpq s GLU 43 N -1.77 0.35 -0.26 5.31 2.02 -1.26 -5.02 118.70 118.06 1wpq s GLU 43 Ca 0.56 -0.34 -0.12 0.00 0.02 0.00 0.00 54.97 55.09 1wpq s GLU 43 Cb -0.54 0.14 -0.05 0.00 0.10 0.00 0.00 34.13 33.79 1wpq s GLU 43 CO 0.61 -0.07 0.21 0.34 0.02 0.00 0.00 175.26 176.37 1wpq s ASP 44 N -1.10 6.09 -0.32 -0.19 2.15 -1.26 -1.10 116.67 120.95 1wpq s ASP 44 Ca -0.12 0.08 0.03 0.00 0.43 0.00 0.00 52.55 52.97 1wpq s ASP 44 Cb -0.07 -2.13 0.10 0.00 -0.30 0.00 0.00 42.92 40.51 1wpq s ASP 44 CO 0.01 -0.04 0.04 -0.63 -0.17 0.00 0.00 175.17 174.38 1wpq s ILE 45 N 1.59 1.95 -1.38 4.11 1.01 0.33 -4.72 121.20 124.10 1wpq s ILE 45 Ca 0.09 -2.06 -0.03 0.00 0.00 0.00 0.00 60.65 58.65 1wpq s ILE 45 Cb -0.15 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1wpq s ILE 45 CO 0.09 -0.55 0.39 0.61 0.00 0.00 0.00 174.94 175.48 1wpq n GLY 46 N 4.40 -0.35 1.94 6.18 0.00 -1.26 -2.14 105.19 113.96 1wpq n GLY 46 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1wpq n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wpq n GLY 47 N -1.31 3.00 3.85 -0.02 0.00 -1.26 -5.02 105.19 104.43 1wpq n GLY 47 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1wpq n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wpq s LYS 48 N -0.25 3.99 0.01 1.61 1.02 -0.91 -5.05 119.74 120.15 1wpq s LYS 48 Ca 0.00 0.61 -0.25 0.00 0.02 0.00 0.00 55.97 56.36 1wpq s LYS 48 Cb 0.00 -2.53 -0.05 0.00 -0.52 0.00 0.00 37.83 34.73 1wpq s LYS 48 CO 0.00 0.22 0.75 0.15 -0.92 0.00 0.00 175.35 175.55 1wpq s LYS 49 N -2.81 4.47 0.26 1.68 1.02 -1.26 -0.51 119.74 122.59 1wpq s LYS 49 Ca 0.51 1.02 -0.02 0.00 0.02 0.00 0.00 55.97 57.50 1wpq s LYS 49 Cb -0.11 -3.39 0.46 0.00 -0.52 0.00 0.00 37.83 34.27 1wpq s LYS 49 CO 0.18 0.20 1.83 1.25 -0.92 0.00 0.00 175.35 177.89 1wpq h LEU 50 N 6.07 0.81 -1.03 3.17 5.85 -1.48 -0.48 115.31 128.23 1wpq h LEU 50 Ca -0.43 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1wpq h LEU 50 Cb 1.20 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1wpq h LEU 50 CO 0.72 0.45 0.46 0.71 -0.34 0.00 0.00 178.44 180.44 1wpq h THR 51 N 0.91 1.24 -0.36 1.05 1.35 -1.92 0.81 112.91 115.99 1wpq h THR 51 Ca 0.44 -0.57 -0.02 0.00 -0.55 0.00 0.00 66.41 65.71 1wpq h THR 51 Cb 0.40 0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 66.93 1wpq h THR 51 CO -0.25 0.26 0.14 -0.08 -0.25 0.00 0.00 175.52 175.34 1wpq h GLU 52 N 1.14 0.53 -0.62 4.72 4.81 -1.53 -1.46 114.58 122.18 1wpq h GLU 52 Ca 0.29 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 1wpq h GLU 52 Cb 0.01 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1wpq h GLU 52 CO -0.05 0.52 0.11 0.82 -0.73 0.00 0.00 179.01 179.69 1wpq h ILE 53 N 0.43 1.25 -0.44 2.32 2.04 -0.53 -0.51 117.51 122.07 1wpq h ILE 53 Ca 0.12 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 64.91 1wpq h ILE 53 Cb 0.19 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1wpq h ILE 53 CO -0.01 0.36 -0.13 0.40 0.00 0.00 0.00 178.15 178.77 1wpq h ILE 54 N 0.94 1.27 0.00 -0.67 2.04 -0.62 0.32 117.51 120.79 1wpq h ILE 54 Ca 0.19 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1wpq h ILE 54 Cb 0.39 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1wpq h ILE 54 CO 0.01 0.43 0.00 0.78 0.00 0.00 0.00 178.15 179.37 1wpq h ASN 55 N 0.70 0.00 0.02 1.72 2.35 -1.12 0.35 115.58 119.59 1wpq h ASN 55 Ca 0.11 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.62 1wpq h ASN 55 Cb 0.68 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 1wpq h ASN 55 CO 0.05 0.00 -1.31 0.74 -1.65 0.00 0.00 177.43 175.26 1wpq h THR 56 N 0.00 0.91 -0.01 2.81 2.02 -0.89 -3.40 112.91 114.35 1wpq h THR 56 Ca 0.00 -2.20 0.00 0.00 0.77 0.00 0.00 66.41 64.98 1wpq h THR 56 Cb 0.90 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1wpq h THR 56 CO 0.00 0.38 -0.67 0.00 0.37 0.00 0.00 175.52 175.60 1wpq n GLN 57 N -4.33 0.81 -3.67 6.66 6.02 0.11 -5.01 117.38 117.97 1wpq n GLN 57 Ca -0.32 -0.59 -0.31 0.00 -0.01 0.00 0.00 57.00 55.78 1wpq n GLN 57 Cb 0.72 -1.47 0.04 0.00 1.02 0.00 0.00 30.24 30.56 1wpq n GLN 57 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1wpq n HIS 58 N -0.62 -1.93 -3.62 1.08 8.25 0.12 -4.87 115.22 113.63 1wpq n HIS 58 Ca 0.07 0.47 -0.08 0.00 -0.26 0.00 0.00 57.72 57.92 1wpq n HIS 58 Cb 0.40 -3.43 -0.06 0.00 1.12 0.00 0.00 29.99 28.02 1wpq n HIS 58 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1wpq s GLU 59 N -5.89 0.43 -0.58 -0.41 -1.05 -1.24 -0.76 118.70 109.20 1wpq s GLU 59 Ca 0.46 0.31 0.06 0.00 -0.15 0.00 0.00 54.97 55.65 1wpq s GLU 59 Cb -0.16 0.21 0.31 0.00 -0.44 0.00 0.00 34.13 34.04 1wpq s GLU 59 CO 0.86 -0.09 0.85 -1.71 0.95 0.00 0.00 175.26 176.12 1wpq n ASN 60 N 1.45 3.86 -0.29 0.83 4.05 -1.26 -4.32 115.26 119.57 1wpq n ASN 60 Ca -0.10 -3.53 0.18 0.00 0.45 0.00 0.00 54.58 51.59 1wpq n ASN 60 Cb 0.57 -0.61 0.46 0.00 1.23 0.00 0.00 39.78 41.44 1wpq n ASN 60 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 177.26 173.84 1wpq h VAL 61 N 2.89 0.65 -0.68 3.44 -1.51 -1.85 0.20 116.25 119.39 1wpq h VAL 61 Ca 0.15 -0.17 0.10 0.00 -1.23 0.00 0.00 66.70 65.55 1wpq h VAL 61 Cb 0.60 0.11 -0.08 0.00 -2.13 0.00 0.00 31.29 29.80 1wpq h VAL 61 CO 0.79 0.09 0.30 0.50 -1.23 0.00 0.00 177.57 178.03 1wpq h LYS 62 N 0.50 0.50 0.00 5.19 3.64 -1.99 -2.95 116.57 121.46 1wpq h LYS 62 Ca 0.53 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.76 1wpq h LYS 62 Cb 1.18 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1wpq h LYS 62 CO -0.25 0.33 -2.09 0.66 -2.27 0.00 0.00 179.45 175.83 1wpq n TYR 63 N -4.93 0.00 -3.43 1.91 4.02 -0.70 -4.75 117.16 109.28 1wpq n TYR 63 Ca 0.11 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.72 1wpq n TYR 63 Cb 0.30 -0.64 -0.10 0.00 -0.02 0.00 0.00 39.34 38.87 1wpq n TYR 63 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1wpq s LEU 64 N -4.78 1.54 0.51 7.72 2.96 0.62 -3.86 118.68 123.39 1wpq s LEU 64 Ca -0.08 -3.01 -0.23 0.00 -0.22 0.00 0.00 54.13 50.59 1wpq s LEU 64 Cb 0.11 -0.50 -0.06 0.00 0.50 0.00 0.00 46.19 46.24 1wpq s LEU 64 CO 0.86 -0.18 1.39 -2.65 -1.32 0.00 0.00 176.35 174.45 1wpq n PRO 65 N 2.94 1.93 -2.22 0.98 -0.02 -1.12 -3.65 135.00 133.84 1wpq n PRO 65 Ca 0.27 0.70 -0.18 0.00 -2.02 0.00 0.00 63.50 62.27 1wpq n PRO 65 Cb 0.46 -2.60 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 1wpq n PRO 65 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wpq n GLY 66 N 0.68 -0.04 2.98 -1.23 0.00 -1.26 -5.00 105.19 101.31 1wpq n GLY 66 Ca 0.08 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1wpq n GLY 66 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wpq s HIS 67 N -2.86 0.14 0.21 1.61 3.76 -1.24 -5.10 115.29 111.80 1wpq s HIS 67 Ca 0.00 -0.28 0.05 0.00 -0.15 0.00 0.00 55.06 54.67 1wpq s HIS 67 Cb 0.00 -0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.55 1wpq s HIS 67 CO 0.00 -0.15 0.30 0.15 -0.85 0.00 0.00 174.74 174.19 1wpq s LYS 68 N -1.00 3.33 0.02 1.40 -0.14 -1.26 -4.44 119.74 117.66 1wpq s LYS 68 Ca -0.11 -0.77 0.04 0.00 -1.36 0.00 0.00 55.97 53.78 1wpq s LYS 68 Cb -0.07 -2.85 -0.03 0.00 -1.68 0.00 0.00 37.83 33.20 1wpq s LYS 68 CO -0.00 0.45 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.44 1wpq s LEU 69 N -3.72 3.08 0.26 3.17 1.43 0.06 -4.92 118.68 118.05 1wpq s LEU 69 Ca 0.34 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 1wpq s LEU 69 Cb -0.09 -1.78 -0.13 0.00 0.03 0.00 0.00 46.19 44.21 1wpq s LEU 69 CO 0.28 0.27 1.36 -2.65 0.23 0.00 0.00 176.35 175.83 1wpq n PRO 70 N 1.46 2.00 -0.24 1.29 -0.02 -1.26 -4.74 135.00 133.48 1wpq n PRO 70 Ca -0.15 0.71 0.19 0.00 -2.02 0.00 0.00 63.50 62.23 1wpq n PRO 70 Cb 0.52 -2.33 0.51 0.00 -0.02 0.00 0.00 33.50 32.19 1wpq n PRO 70 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wpq h PRO 71 N 3.75 0.39 0.00 0.52 0.11 -1.97 -1.42 132.00 133.37 1wpq h PRO 71 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1wpq h PRO 71 Cb 1.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1wpq h PRO 71 CO 0.72 0.26 0.00 0.27 -0.21 0.00 0.00 178.00 179.04 1wpq n ASN 72 N -4.51 0.44 -4.64 -2.05 6.94 -1.26 -4.56 115.26 105.62 1wpq n ASN 72 Ca 0.19 0.62 -0.43 0.00 -0.02 0.00 0.00 54.58 54.94 1wpq n ASN 72 Cb 0.70 -0.71 -0.03 0.00 -2.36 0.00 0.00 39.78 37.38 1wpq n ASN 72 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1wpq s VAL 73 N -3.23 4.67 -0.19 3.53 1.01 -0.54 -2.56 120.40 123.10 1wpq s VAL 73 Ca 0.04 1.65 -0.07 0.00 0.00 0.00 0.00 61.98 63.60 1wpq s VAL 73 Cb 0.09 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1wpq s VAL 73 CO 0.33 -0.28 0.04 0.54 0.00 0.00 0.00 175.10 175.72 1wpq s VAL 74 N 3.24 4.48 -0.18 2.92 0.11 0.79 -4.94 120.40 126.83 1wpq s VAL 74 Ca 0.40 -0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 59.03 1wpq s VAL 74 Cb -0.14 -3.03 -0.00 0.00 -1.53 0.00 0.00 36.38 31.68 1wpq s VAL 74 CO 0.11 0.44 1.00 0.00 -3.33 0.00 0.00 175.10 173.32 1wpq s ALA 75 N 0.65 3.56 -0.17 1.54 0.00 -1.26 -0.49 121.76 125.58 1wpq s ALA 75 Ca 0.02 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1wpq s ALA 75 Cb -0.13 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.56 1wpq s ALA 75 CO 0.02 -0.83 -0.09 0.08 0.00 0.00 0.00 175.76 174.94 1wpq s VAL 76 N 2.62 1.40 0.42 0.00 1.01 -0.63 -4.94 120.40 120.27 1wpq s VAL 76 Ca 0.45 -0.76 0.21 0.00 0.00 0.00 0.00 61.98 61.87 1wpq s VAL 76 Cb -0.16 -1.48 0.22 0.00 0.00 0.00 0.00 36.38 34.96 1wpq s VAL 76 CO 0.11 0.22 2.00 1.55 0.00 0.00 0.00 175.10 178.99 1wpq h PRO 77 N 8.05 0.00 -5.12 2.72 0.13 -1.86 -2.34 132.00 133.58 1wpq h PRO 77 Ca -0.28 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.22 1wpq h PRO 77 Cb 1.11 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.09 1wpq h PRO 77 CO 0.45 0.18 -0.33 0.34 -0.23 0.00 0.00 178.00 178.42 1wpq s ASP 78 N -6.57 6.21 0.17 1.44 -1.08 -1.26 -4.63 116.67 110.95 1wpq s ASP 78 Ca -0.03 0.23 -0.15 0.00 -0.52 0.00 0.00 52.55 52.08 1wpq s ASP 78 Cb 0.14 -2.18 0.06 0.00 -1.46 0.00 0.00 42.92 39.48 1wpq s ASP 78 CO 0.65 -0.11 1.82 1.62 0.52 0.00 0.00 175.17 179.67 1wpq h VAL 79 N 5.29 1.10 -0.24 1.11 3.04 -1.96 -0.94 116.25 123.65 1wpq h VAL 79 Ca -0.34 -0.21 0.04 0.00 -1.01 0.00 0.00 66.70 65.18 1wpq h VAL 79 Cb 1.17 0.42 -0.04 0.00 -2.01 0.00 0.00 31.29 30.83 1wpq h VAL 79 CO 0.63 0.11 -0.00 0.58 -1.01 0.00 0.00 177.57 177.88 1wpq h VAL 80 N 0.62 0.82 -0.74 1.51 2.07 -1.94 -0.53 116.25 118.08 1wpq h VAL 80 Ca 0.18 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1wpq h VAL 80 Cb -0.04 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1wpq h VAL 80 CO -0.06 0.01 0.46 1.56 0.02 0.00 0.00 177.57 179.57 1wpq h GLN 81 N 0.07 0.98 -0.59 1.57 4.20 -1.90 0.30 115.11 119.74 1wpq h GLN 81 Ca 0.11 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1wpq h GLN 81 Cb 0.15 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1wpq h GLN 81 CO -0.20 0.67 0.16 0.00 -0.67 0.00 0.00 178.83 178.80 1wpq h ALA 82 N 1.50 0.78 0.00 3.87 0.00 -0.08 -3.29 119.26 122.04 1wpq h ALA 82 Ca 0.27 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1wpq h ALA 82 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1wpq h ALA 82 CO -0.05 0.47 -1.35 0.00 0.00 0.00 0.00 179.25 178.31 1wpq n ALA 83 N -2.40 2.32 -0.02 0.00 0.00 -0.31 -4.71 120.51 115.39 1wpq n ALA 83 Ca 0.03 -0.43 -0.00 0.00 0.00 0.00 0.00 53.44 53.04 1wpq n ALA 83 Cb 0.22 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 18.71 1wpq n ALA 83 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wpq n GLU 84 N -2.69 -0.02 -0.87 0.00 1.02 0.10 -0.54 120.64 117.64 1wpq n GLU 84 Ca -0.05 0.15 0.07 0.00 -0.02 0.00 0.00 57.16 57.32 1wpq n GLU 84 Cb 0.68 -0.23 0.40 0.00 -0.02 0.00 0.00 31.44 32.27 1wpq n GLU 84 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wpq n ASP 85 N -2.78 5.65 -4.77 1.62 8.00 -1.26 -3.95 116.55 119.06 1wpq n ASP 85 Ca 0.00 -2.87 -0.39 0.00 0.71 0.00 0.00 54.79 52.24 1wpq n ASP 85 Cb 0.01 -0.68 -0.06 0.00 -0.02 0.00 0.00 41.12 40.37 1wpq n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wpq s ALA 86 N -2.65 3.33 -0.10 2.24 0.00 0.30 -4.69 121.76 120.18 1wpq s ALA 86 Ca 0.55 0.51 0.21 0.00 0.00 0.00 0.00 51.96 53.22 1wpq s ALA 86 Cb 0.41 -3.12 -0.25 0.00 0.00 0.00 0.00 23.12 20.15 1wpq s ALA 86 CO 0.17 0.23 0.51 -0.25 0.00 0.00 0.00 175.76 176.42 1wpq n ASP 87 N 1.19 0.22 -3.84 0.00 8.00 0.50 -4.42 116.55 118.20 1wpq n ASP 87 Ca -0.02 0.09 -0.19 0.00 0.71 0.00 0.00 54.79 55.38 1wpq n ASP 87 Cb 0.48 1.36 -0.17 0.00 -0.02 0.00 0.00 41.12 42.78 1wpq n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wpq s ILE 88 N -3.22 0.37 -0.20 0.53 1.01 -0.82 -1.11 121.20 117.75 1wpq s ILE 88 Ca -0.07 0.00 0.02 0.00 0.00 0.00 0.00 60.65 60.60 1wpq s ILE 88 Cb 0.11 -0.45 0.03 0.00 0.01 0.00 0.00 42.46 42.17 1wpq s ILE 88 CO 0.87 0.20 -0.17 -0.76 0.00 0.00 0.00 174.94 175.08 1wpq s LEU 89 N 1.16 2.50 -0.41 2.97 1.02 -0.73 -1.35 118.68 123.84 1wpq s LEU 89 Ca -0.08 -0.87 -0.20 0.00 0.02 0.00 0.00 54.13 53.00 1wpq s LEU 89 Cb -0.14 -1.49 0.02 0.00 0.02 0.00 0.00 46.19 44.60 1wpq s LEU 89 CO -0.02 -0.06 0.62 -0.63 0.02 0.00 0.00 176.35 176.29 1wpq s ILE 90 N 1.24 4.87 -0.45 -0.59 1.09 -0.36 -1.45 121.20 125.55 1wpq s ILE 90 Ca 0.01 0.24 -0.21 0.00 -1.10 0.00 0.00 60.65 59.59 1wpq s ILE 90 Cb -0.15 -4.14 0.03 0.00 -1.06 0.00 0.00 42.46 37.13 1wpq s ILE 90 CO -0.11 -0.48 0.68 -0.36 -0.10 0.00 0.00 174.94 174.57 1wpq s PHE 91 N 2.73 3.04 -0.41 3.97 0.40 0.04 -0.69 117.98 127.06 1wpq s PHE 91 Ca 0.22 -0.04 0.06 0.00 -0.60 0.00 0.00 56.93 56.58 1wpq s PHE 91 Cb -0.14 -3.45 0.21 0.00 0.51 0.00 0.00 43.02 40.15 1wpq s PHE 91 CO 0.17 -0.92 0.47 1.55 0.70 0.00 0.00 175.22 177.20 1wpq n VAL 92 N 5.91 -0.86 -4.29 -0.44 3.14 0.23 -1.36 118.33 120.68 1wpq n VAL 92 Ca -0.01 -3.39 -0.15 0.00 -2.96 0.00 0.00 64.34 57.82 1wpq n VAL 92 Cb 0.48 -1.42 -0.10 0.00 -1.06 0.00 0.00 33.84 31.74 1wpq n VAL 92 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1wpq s VAL 93 N -0.37 0.72 0.34 1.55 -7.23 -1.25 -4.10 120.40 110.06 1wpq s VAL 93 Ca 0.34 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.22 1wpq s VAL 93 Cb 0.10 -2.34 -0.11 0.00 0.56 0.00 0.00 36.38 34.60 1wpq s VAL 93 CO -0.16 -0.29 1.50 -2.84 -0.31 0.00 0.00 175.10 173.01 1wpq s PRO 94 N -3.94 4.14 0.27 4.82 0.02 -1.26 -4.80 135.00 134.25 1wpq s PRO 94 Ca 0.29 2.53 -0.02 0.00 0.02 0.00 0.00 61.00 63.82 1wpq s PRO 94 Cb 0.07 -3.00 0.57 0.00 0.02 0.00 0.00 34.50 32.16 1wpq s PRO 94 CO 0.08 -0.53 1.42 1.58 -0.33 0.00 0.00 177.00 179.22 1wpq n HIS 95 N 1.07 0.47 0.75 6.54 -0.00 -1.26 -1.16 115.22 121.63 1wpq n HIS 95 Ca 0.03 1.10 0.05 0.00 0.46 0.00 0.00 57.72 59.36 1wpq n HIS 95 Cb 0.39 -1.11 0.28 0.00 -0.12 0.00 0.00 29.99 29.43 1wpq n HIS 95 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wpq n GLN 96 N -5.39 0.37 0.00 1.57 10.64 -1.26 -2.93 117.38 120.38 1wpq n GLN 96 Ca 0.18 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 1wpq n GLN 96 Cb 0.59 -1.39 0.00 0.00 -0.86 0.00 0.00 30.24 28.57 1wpq n GLN 96 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1wpq n PHE 97 N -0.89 0.00 -0.15 2.61 0.99 -0.31 -4.70 117.46 115.00 1wpq n PHE 97 Ca 0.07 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.58 1wpq n PHE 97 Cb 0.03 0.00 0.36 0.00 -1.00 0.00 0.00 39.48 38.87 1wpq n PHE 97 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 1wpq h ILE 98 N 0.00 1.05 0.17 4.37 6.09 -1.54 -2.18 117.51 125.47 1wpq h ILE 98 Ca 0.00 -0.26 -0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1wpq h ILE 98 Cb 0.00 0.24 -0.01 0.00 0.47 0.00 0.00 36.82 37.52 1wpq h ILE 98 CO 0.00 0.14 -0.23 1.23 -3.07 0.00 0.00 178.15 176.21 1wpq h GLY 99 N 0.74 -1.04 1.39 8.18 0.00 -1.84 -1.71 103.07 108.79 1wpq h GLY 99 Ca 0.28 0.48 0.08 0.00 0.00 0.00 0.00 47.33 48.17 1wpq h GLY 99 CO -0.08 -0.34 0.23 1.70 0.00 0.00 0.00 176.54 178.05 1wpq h LYS 100 N -0.42 0.00 -0.10 4.80 3.64 -1.83 -1.68 116.57 120.98 1wpq h LYS 100 Ca -0.02 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 1wpq h LYS 100 Cb 0.38 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1wpq h LYS 100 CO -0.06 0.00 -0.64 0.82 -2.27 0.00 0.00 179.45 177.29 1wpq h ILE 101 N 0.00 1.37 0.00 2.00 2.04 -0.95 -1.87 117.51 120.09 1wpq h ILE 101 Ca 0.13 -2.01 0.00 0.00 1.00 0.00 0.00 64.86 63.98 1wpq h ILE 101 Cb 0.59 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1wpq h ILE 101 CO -0.00 0.60 0.00 0.00 0.00 0.00 0.00 178.15 178.75 1wpq n ASP 103 N -2.93 0.00 -0.28 0.00 -0.08 -0.71 -1.27 116.55 111.28 1wpq n ASP 103 Ca -0.00 0.50 0.12 0.00 -1.51 0.00 0.00 54.79 53.90 1wpq n ASP 103 Cb 0.23 0.00 0.37 0.00 2.34 0.00 0.00 41.12 44.07 1wpq n ASP 103 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1wpq h GLN 104 N 0.00 0.68 -0.07 -0.67 4.20 -1.56 -2.58 115.11 115.11 1wpq h GLN 104 Ca 0.00 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 1wpq h GLN 104 Cb 0.00 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1wpq h GLN 104 CO 0.00 0.45 -0.64 -0.07 -0.67 0.00 0.00 178.83 177.90 1wpq h LEU 105 N 0.70 0.30 -8.77 1.46 3.38 -1.44 -3.44 115.31 107.49 1wpq h LEU 105 Ca 0.46 -0.18 -0.80 0.00 0.09 0.00 0.00 57.88 57.45 1wpq h LEU 105 Cb 0.74 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1wpq h LEU 105 CO -0.22 0.85 0.95 1.17 0.09 0.00 0.00 178.44 181.28 1wpq n LYS 106 N -3.85 0.37 -0.76 1.13 4.81 -0.40 -0.53 118.16 118.94 1wpq n LYS 106 Ca -0.03 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1wpq n LYS 106 Cb 0.64 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.97 1wpq n LYS 106 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wpq n GLY 107 N 5.06 1.16 1.15 3.14 0.00 -1.26 -4.89 105.19 109.54 1wpq n GLY 107 Ca 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.35 1wpq n GLY 107 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wpq n HIS 108 N -2.00 1.11 -3.82 1.61 8.25 0.31 -5.02 115.22 115.66 1wpq n HIS 108 Ca 0.00 -1.52 -0.22 0.00 -0.26 0.00 0.00 57.72 55.72 1wpq n HIS 108 Cb 0.00 -0.48 -0.05 0.00 1.12 0.00 0.00 29.99 30.58 1wpq n HIS 108 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1wpq s LEU 109 N -3.20 3.38 0.81 2.41 1.43 -1.26 -4.39 118.68 117.86 1wpq s LEU 109 Ca 0.45 -0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 1wpq s LEU 109 Cb 0.40 -1.95 0.08 0.00 0.03 0.00 0.00 46.19 44.75 1wpq s LEU 109 CO 0.01 -0.48 1.09 -0.54 0.23 0.00 0.00 176.35 176.66 1wpq s LYS 110 N -4.00 2.00 0.00 1.70 1.02 -1.25 -4.99 119.74 114.21 1wpq s LYS 110 Ca 0.43 1.00 0.00 0.00 0.02 0.00 0.00 55.97 57.42 1wpq s LYS 110 Cb -0.03 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 1wpq s LYS 110 CO 0.26 -1.78 0.90 0.00 -0.92 0.00 0.00 175.35 173.80 1wpq n ALA 111 N -3.59 -0.18 -1.15 5.17 0.00 -1.26 -3.26 120.51 116.25 1wpq n ALA 111 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.24 1wpq n ALA 111 Cb 0.54 0.25 0.08 0.00 0.00 0.00 0.00 19.45 20.31 1wpq n ALA 111 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wpq n ASN 112 N -2.18 6.84 -4.76 0.00 3.02 -1.26 -4.98 115.26 111.94 1wpq n ASN 112 Ca 0.00 -3.53 -0.41 0.00 -0.03 0.00 0.00 54.58 50.62 1wpq n ASN 112 Cb 0.00 -0.98 -0.03 0.00 -0.61 0.00 0.00 39.78 38.16 1wpq n ASN 112 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1wpq s PRO 113 N -3.12 4.51 0.41 3.52 0.02 -1.20 -4.97 135.00 134.16 1wpq s PRO 113 Ca 0.53 1.96 0.07 0.00 0.02 0.00 0.00 61.00 63.58 1wpq s PRO 113 Cb 0.42 -3.17 -0.06 0.00 0.02 0.00 0.00 34.50 31.72 1wpq s PRO 113 CO 0.00 -0.01 0.15 0.95 -0.33 0.00 0.00 177.00 177.77 1wpq s THR 114 N -0.80 2.28 0.06 0.99 -4.23 -0.27 -4.29 115.64 109.39 1wpq s THR 114 Ca 0.49 -1.74 -0.09 0.00 -1.18 0.00 0.00 61.69 59.16 1wpq s THR 114 Cb -0.35 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.50 1wpq s THR 114 CO 0.43 -0.01 0.20 -0.83 -0.54 0.00 0.00 174.62 173.87 1wpq s GLY 115 N -3.87 0.05 -0.03 3.99 0.00 -0.11 -1.77 107.32 105.57 1wpq s GLY 115 Ca 0.40 -0.39 0.01 0.00 0.00 0.00 0.00 44.72 44.75 1wpq s GLY 115 CO 0.22 -0.57 -0.05 -1.50 0.00 0.00 0.00 173.10 171.20 1wpq s ILE 116 N -3.02 0.49 -0.09 0.90 2.07 -0.53 -0.23 121.20 120.81 1wpq s ILE 116 Ca -0.02 -0.16 -0.01 0.00 -1.41 0.00 0.00 60.65 59.06 1wpq s ILE 116 Cb 0.01 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 1wpq s ILE 116 CO -0.06 0.19 -0.05 -0.55 -1.91 0.00 0.00 174.94 172.56 1wpq s SER 117 N 0.53 4.81 0.00 4.50 0.15 0.14 -0.78 113.70 123.05 1wpq s SER 117 Ca -0.07 0.00 0.05 0.00 0.70 0.00 0.00 55.95 56.63 1wpq s SER 117 Cb -0.10 -1.34 0.07 0.00 -1.71 0.00 0.00 66.02 62.93 1wpq s SER 117 CO -0.00 0.34 0.80 0.18 1.20 0.00 0.00 173.24 175.75 1wpq n LEU 118 N 2.41 1.71 -4.70 3.45 4.32 -0.46 -1.27 117.00 122.46 1wpq n LEU 118 Ca -0.18 -1.32 -0.42 0.00 -0.02 0.00 0.00 56.01 54.07 1wpq n LEU 118 Cb 0.53 -0.03 -0.03 0.00 -1.62 0.00 0.00 43.42 42.27 1wpq n LEU 118 CO 0.28 0.39 0.94 -0.63 -1.22 0.00 0.00 177.39 177.16 1wpq s ILE 119 N -0.59 4.10 -0.37 -0.08 1.01 -1.25 -4.96 121.20 119.07 1wpq s ILE 119 Ca 0.07 1.48 -0.13 0.00 0.00 0.00 0.00 60.65 62.07 1wpq s ILE 119 Cb 0.04 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.58 1wpq s ILE 119 CO 0.06 0.05 0.24 -0.54 0.00 0.00 0.00 174.94 174.75 1wpq s LYS 120 N 1.75 3.05 0.00 2.79 1.02 -1.26 -4.89 119.74 122.20 1wpq s LYS 120 Ca 0.58 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.63 1wpq s LYS 120 Cb -0.27 -3.81 0.00 0.00 -0.52 0.00 0.00 37.83 33.23 1wpq s LYS 120 CO 0.25 -0.64 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 1wpq n GLY 121 N 5.07 -1.96 3.03 -3.33 0.00 -1.26 -4.77 105.19 101.96 1wpq n GLY 121 Ca -0.12 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 1wpq n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wpq s VAL 122 N -2.35 0.21 0.36 1.61 -7.23 -1.26 -4.59 120.40 107.15 1wpq s VAL 122 Ca 0.00 -1.23 0.09 0.00 -1.81 0.00 0.00 61.98 59.03 1wpq s VAL 122 Cb 0.00 -0.72 -0.07 0.00 0.56 0.00 0.00 36.38 36.16 1wpq s VAL 122 CO 0.00 -0.65 -0.07 -1.81 -0.31 0.00 0.00 175.10 172.26 1wpq s ASP 123 N -1.96 3.77 -0.01 4.85 1.01 0.51 -4.94 116.67 119.91 1wpq s ASP 123 Ca -0.08 -1.23 0.07 0.00 0.71 0.00 0.00 52.55 52.02 1wpq s ASP 123 Cb -0.04 -0.36 -0.03 0.00 1.01 0.00 0.00 42.92 43.50 1wpq s ASP 123 CO -0.04 -0.25 -0.21 -0.70 0.21 0.00 0.00 175.17 174.18 1wpq s GLU 124 N -3.63 2.17 0.13 8.23 2.12 -1.26 0.17 118.70 126.63 1wpq s GLU 124 Ca 0.33 -0.90 0.10 0.00 0.36 0.00 0.00 54.97 54.86 1wpq s GLU 124 Cb 0.04 -2.16 -0.04 0.00 0.26 0.00 0.00 34.13 32.23 1wpq s GLU 124 CO 0.17 0.57 -0.22 0.20 -0.54 0.00 0.00 175.26 175.43 1wpq s GLY 125 N -0.91 1.64 0.36 -1.50 0.00 0.25 -4.70 107.32 102.46 1wpq s GLY 125 Ca 0.12 -1.42 0.08 0.00 0.00 0.00 0.00 44.72 43.50 1wpq s GLY 125 CO 0.01 -1.40 1.10 -2.55 0.00 0.00 0.00 173.10 170.26 1wpq h PRO 126 N 3.77 0.00 -2.49 2.90 0.11 -2.00 -2.64 132.00 131.65 1wpq h PRO 126 Ca -0.50 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.01 1wpq h PRO 126 Cb 1.17 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.89 1wpq h PRO 126 CO 0.43 0.00 -0.88 -1.71 -0.21 0.00 0.00 178.00 175.63 1wpq n ASN 127 N -2.00 0.62 0.00 -2.05 2.85 -1.26 -5.11 115.26 108.31 1wpq n ASN 127 Ca -0.01 -2.66 0.00 0.00 -0.11 0.00 0.00 54.58 51.81 1wpq n ASN 127 Cb 0.53 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.93 1wpq n ASN 127 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wpq n GLY 128 N 2.39 -1.84 3.79 8.20 0.00 -1.00 -4.94 105.19 111.79 1wpq n GLY 128 Ca 0.27 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 1wpq n GLY 128 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wpq s LEU 129 N 0.00 3.91 -0.15 0.99 0.20 -1.26 -0.58 118.68 121.79 1wpq s LEU 129 Ca 0.00 1.97 -0.02 0.00 0.69 0.00 0.00 54.13 56.77 1wpq s LEU 129 Cb 0.00 -4.47 0.05 0.00 -0.43 0.00 0.00 46.19 41.33 1wpq s LEU 129 CO 0.00 -0.74 -0.00 -0.75 -0.29 0.00 0.00 176.35 174.57 1wpq s LYS 130 N -3.06 0.87 0.33 1.98 2.20 0.44 -4.56 119.74 117.93 1wpq s LYS 130 Ca 0.65 -0.30 -0.29 0.00 -0.36 0.00 0.00 55.97 55.68 1wpq s LYS 130 Cb -0.18 -1.75 -0.10 0.00 -1.51 0.00 0.00 37.83 34.29 1wpq s LYS 130 CO 0.22 -0.48 1.31 -0.51 -0.36 0.00 0.00 175.35 175.53 1wpq s LEU 131 N 1.83 4.43 0.25 5.43 1.43 -1.26 -0.36 118.68 130.42 1wpq s LEU 131 Ca 0.01 2.68 -0.04 0.00 -1.03 0.00 0.00 54.13 55.76 1wpq s LEU 131 Cb -0.15 -3.65 0.40 0.00 0.03 0.00 0.00 46.19 42.82 1wpq s LEU 131 CO -0.07 -0.53 1.82 0.40 0.23 0.00 0.00 176.35 178.20 1wpq h ILE 132 N 3.05 0.95 -0.87 -0.59 2.04 -1.92 -1.00 117.51 119.17 1wpq h ILE 132 Ca -0.49 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.11 1wpq h ILE 132 Cb 1.23 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1wpq h ILE 132 CO 0.66 0.16 0.57 0.77 0.00 0.00 0.00 178.15 180.30 1wpq h SER 133 N 0.86 0.94 0.35 1.72 4.64 -1.93 -0.32 113.55 119.80 1wpq h SER 133 Ca 0.40 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.69 1wpq h SER 133 Cb 0.32 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1wpq h SER 133 CO -0.23 0.65 -0.17 -0.33 -0.87 0.00 0.00 176.83 175.88 1wpq h GLU 134 N 1.09 -0.45 -0.74 4.77 5.08 -1.59 -0.65 114.58 122.09 1wpq h GLU 134 Ca 0.34 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.86 1wpq h GLU 134 Cb 0.01 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.28 1wpq h GLU 134 CO -0.10 -0.19 0.32 0.28 -1.00 0.00 0.00 179.01 178.32 1wpq h VAL 135 N -0.66 0.71 -0.10 3.13 2.07 -0.90 0.21 116.25 120.71 1wpq h VAL 135 Ca -0.05 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1wpq h VAL 135 Cb 0.47 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1wpq h VAL 135 CO 0.08 0.09 -0.02 0.40 0.02 0.00 0.00 177.57 178.14 1wpq h ILE 136 N 0.49 1.28 0.00 4.57 2.04 -1.00 -1.88 117.51 123.01 1wpq h ILE 136 Ca 0.40 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1wpq h ILE 136 Cb 0.55 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1wpq h ILE 136 CO -0.36 0.25 -0.11 1.23 0.00 0.00 0.00 178.15 179.17 1wpq h GLY 137 N -0.12 0.00 0.20 5.37 0.00 -0.33 -0.92 103.07 107.28 1wpq h GLY 137 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1wpq h GLY 137 CO 0.01 0.00 -0.04 0.83 0.00 0.00 0.00 176.54 177.33 1wpq h GLU 138 N 0.00 0.03 -0.46 4.80 5.08 -0.52 0.73 114.58 124.24 1wpq h GLU 138 Ca -0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1wpq h GLU 138 Cb 0.19 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1wpq h GLU 138 CO 0.01 0.86 0.12 0.00 -1.00 0.00 0.00 179.01 179.00 1wpq h ARG 139 N -0.79 0.73 -0.01 2.33 2.47 -1.24 -3.02 114.38 114.85 1wpq h ARG 139 Ca -0.01 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1wpq h ARG 139 Cb 0.87 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1wpq h ARG 139 CO 0.01 0.72 -0.37 1.28 0.56 0.00 0.00 179.97 182.17 1wpq n LEU 140 N -4.51 0.92 -3.73 3.04 4.77 -0.36 -4.76 117.00 112.37 1wpq n LEU 140 Ca 0.01 -0.22 -0.26 0.00 -0.03 0.00 0.00 56.01 55.51 1wpq n LEU 140 Cb 0.21 -0.15 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1wpq n LEU 140 CO 0.39 0.18 0.14 0.61 -1.33 0.00 0.00 177.39 177.38 1wpq n GLY 141 N 1.40 -0.48 3.18 -0.72 0.00 0.19 -4.85 105.19 103.91 1wpq n GLY 141 Ca 0.10 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 46.13 1wpq n GLY 141 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wpq s ILE 142 N -3.36 1.15 0.20 -0.61 -0.00 -0.83 -5.02 121.20 112.74 1wpq s ILE 142 Ca 0.50 -1.32 -0.32 0.00 -0.00 0.00 0.00 60.65 59.50 1wpq s ILE 142 Cb -0.24 -1.11 -0.13 0.00 -0.00 0.00 0.00 42.46 40.99 1wpq s ILE 142 CO 0.78 -0.22 1.60 -2.65 -0.00 0.00 0.00 174.94 174.46 1wpq n PRO 143 N 1.26 2.40 -4.62 0.37 -0.02 -1.26 -4.51 135.00 128.62 1wpq n PRO 143 Ca -0.21 0.86 -0.30 0.00 -2.02 0.00 0.00 63.50 61.83 1wpq n PRO 143 Cb 0.54 -2.64 -0.13 0.00 -0.02 0.00 0.00 33.50 31.25 1wpq n PRO 143 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1wpq s MET 144 N 0.63 1.95 0.26 -0.52 -1.94 -1.26 -0.93 119.30 117.49 1wpq s MET 144 Ca 0.74 -1.05 0.02 0.00 -1.71 0.00 0.00 55.69 53.69 1wpq s MET 144 Cb -0.60 -2.13 -0.05 0.00 2.01 0.00 0.00 34.83 34.06 1wpq s MET 144 CO 0.39 0.52 0.08 -1.12 -0.01 0.00 0.00 175.02 174.88 1wpq s SER 145 N -1.55 1.37 0.05 3.03 0.01 0.69 -4.78 113.70 112.51 1wpq s SER 145 Ca 0.15 -1.37 -0.00 0.00 1.31 0.00 0.00 55.95 56.04 1wpq s SER 145 Cb -0.10 0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 1wpq s SER 145 CO 0.06 -0.70 -0.03 0.68 0.41 0.00 0.00 173.24 173.65 1wpq s VAL 146 N -3.68 0.25 -0.11 3.43 -7.23 -0.55 0.23 120.40 112.74 1wpq s VAL 146 Ca 0.37 -1.60 -0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1wpq s VAL 146 Cb 0.08 -1.23 0.03 0.00 0.56 0.00 0.00 36.38 35.82 1wpq s VAL 146 CO 0.13 -0.86 -0.07 -0.22 -0.31 0.00 0.00 175.10 173.77 1wpq s LEU 147 N -2.57 1.15 -0.06 1.32 0.20 -0.40 -0.30 118.68 118.03 1wpq s LEU 147 Ca 0.02 -0.30 -0.02 0.00 0.69 0.00 0.00 54.13 54.51 1wpq s LEU 147 Cb 0.03 -0.81 0.04 0.00 -0.43 0.00 0.00 46.19 45.02 1wpq s LEU 147 CO -0.07 -0.13 0.13 -0.04 -0.29 0.00 0.00 176.35 175.95 1wpq s MET 148 N 1.73 0.06 -0.04 1.98 -1.94 0.13 -4.48 119.30 116.73 1wpq s MET 148 Ca 0.05 0.37 -0.31 0.00 -1.71 0.00 0.00 55.69 54.09 1wpq s MET 148 Cb -0.13 -0.21 0.12 0.00 2.01 0.00 0.00 34.83 36.63 1wpq s MET 148 CO -0.08 -0.19 1.34 0.20 -0.01 0.00 0.00 175.02 176.28 1wpq s GLY 149 N 1.33 -0.36 -0.98 -0.03 0.00 -1.26 -0.43 107.32 105.59 1wpq s GLY 149 Ca -0.07 0.58 -0.24 0.00 0.00 0.00 0.00 44.72 44.98 1wpq s GLY 149 CO -0.05 1.92 1.99 0.00 0.00 0.00 0.00 173.10 176.96 1wpq s ALA 150 N -2.18 1.55 -0.42 3.20 0.00 -1.23 -4.76 121.76 117.91 1wpq s ALA 150 Ca 0.19 -1.63 0.10 0.00 0.00 0.00 0.00 51.96 50.63 1wpq s ALA 150 Cb 0.04 -4.60 0.37 0.00 0.00 0.00 0.00 23.12 18.93 1wpq s ALA 150 CO -0.04 -5.14 0.86 0.09 0.00 0.00 0.00 175.76 171.53 1wpq n ASN 151 N 14.81 2.26 -4.65 0.00 3.02 -1.26 -4.55 115.26 124.88 1wpq n ASN 151 Ca 0.42 -3.21 -0.47 0.00 -0.03 0.00 0.00 54.58 51.29 1wpq n ASN 151 Cb 0.46 -0.57 -0.04 0.00 -0.61 0.00 0.00 39.78 39.02 1wpq n ASN 151 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1wpq n ILE 152 N 0.01 0.57 -0.38 2.41 5.41 -1.26 -4.82 119.36 121.30 1wpq n ILE 152 Ca 0.25 -0.15 -0.09 0.00 1.00 0.00 0.00 62.75 63.76 1wpq n ILE 152 Cb 0.61 -2.00 -0.06 0.00 -0.71 0.00 0.00 39.64 37.48 1wpq n ILE 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wpq h ALA 153 N 10.21 -0.39 -1.01 -1.39 0.00 -1.97 -1.51 119.26 123.21 1wpq h ALA 153 Ca -0.47 0.15 0.25 0.00 0.00 0.00 0.00 54.91 54.85 1wpq h ALA 153 Cb 1.27 1.25 -0.13 0.00 0.00 0.00 0.00 17.79 20.19 1wpq h ALA 153 CO 0.95 -0.89 0.60 0.66 0.00 0.00 0.00 179.25 180.57 1wpq h SER 154 N -0.04 0.66 0.08 0.00 4.64 -1.90 0.28 113.55 117.27 1wpq h SER 154 Ca 0.20 0.14 -0.19 0.00 -0.47 0.00 0.00 61.79 61.47 1wpq h SER 154 Cb 0.47 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1wpq h SER 154 CO -0.92 0.08 -0.70 -0.33 -0.87 0.00 0.00 176.83 174.10 1wpq h GLU 155 N 0.56 0.56 -0.27 4.77 5.08 -1.66 -2.71 114.58 120.89 1wpq h GLU 155 Ca 0.65 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1wpq h GLU 155 Cb 1.27 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1wpq h GLU 155 CO -0.48 1.05 0.06 0.28 -1.00 0.00 0.00 179.01 178.92 1wpq h VAL 156 N 0.39 1.22 0.00 3.13 2.07 -0.17 -2.34 116.25 120.54 1wpq h VAL 156 Ca -0.03 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1wpq h VAL 156 Cb 1.29 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1wpq h VAL 156 CO 0.13 0.24 -0.02 0.00 0.02 0.00 0.00 177.57 177.94 1wpq h ALA 157 N 0.88 1.08 -0.23 1.67 0.00 -0.78 0.63 119.26 122.51 1wpq h ALA 157 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wpq h ALA 157 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wpq h ALA 157 CO 0.00 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.03 1wpq n ASP 158 N -3.23 1.68 -2.79 0.00 8.00 -0.93 -4.92 116.55 114.36 1wpq n ASP 158 Ca -0.02 -1.81 -0.21 0.00 0.71 0.00 0.00 54.79 53.47 1wpq n ASP 158 Cb 0.17 -0.15 0.01 0.00 -0.02 0.00 0.00 41.12 41.13 1wpq n ASP 158 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wpq n GLU 159 N 0.36 -3.40 -2.82 -1.24 1.02 0.21 -4.96 120.64 109.81 1wpq n GLU 159 Ca 0.14 0.86 -0.41 0.00 -0.02 0.00 0.00 57.16 57.73 1wpq n GLU 159 Cb 0.31 -5.61 -0.04 0.00 -0.02 0.00 0.00 31.44 26.08 1wpq n GLU 159 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wpq s LYS 160 N -5.45 4.56 0.11 3.49 1.02 -0.94 -4.88 119.74 117.65 1wpq s LYS 160 Ca 0.18 1.27 -0.35 0.00 0.02 0.00 0.00 55.97 57.10 1wpq s LYS 160 Cb -0.08 -3.42 -0.17 0.00 -0.52 0.00 0.00 37.83 33.63 1wpq s LYS 160 CO 0.23 0.08 1.08 0.34 -0.92 0.00 0.00 175.35 176.15 1wpq n PHE 161 N 3.46 0.90 -3.89 3.18 7.35 -1.26 -4.73 117.46 122.47 1wpq n PHE 161 Ca 0.03 0.82 -0.03 0.00 -0.76 0.00 0.00 57.45 57.51 1wpq n PHE 161 Cb 0.51 -2.19 0.02 0.00 0.35 0.00 0.00 39.48 38.17 1wpq n PHE 161 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wpq s GLU 163 N -2.05 1.20 0.22 0.00 -1.05 -1.26 -1.95 118.70 113.82 1wpq s GLU 163 Ca 0.22 -1.61 -0.14 0.00 -0.15 0.00 0.00 54.97 53.29 1wpq s GLU 163 Cb -0.03 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 33.95 1wpq s GLU 163 CO 0.05 -0.39 0.48 -0.08 0.95 0.00 0.00 175.26 176.27 1wpq s THR 164 N -4.15 0.02 -0.10 1.83 -1.32 -0.62 -3.94 115.64 107.35 1wpq s THR 164 Ca 0.38 -1.19 0.04 0.00 -1.21 0.00 0.00 61.69 59.70 1wpq s THR 164 Cb 0.07 -1.95 0.00 0.00 -1.51 0.00 0.00 72.50 69.10 1wpq s THR 164 CO 0.11 -0.08 -0.23 -0.89 -2.21 0.00 0.00 174.62 171.33 1wpq s THR 165 N -3.96 1.97 -0.21 5.08 2.01 0.43 -2.64 115.64 118.33 1wpq s THR 165 Ca 0.17 -0.97 -0.06 0.00 0.31 0.00 0.00 61.69 61.14 1wpq s THR 165 Cb -0.01 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 1wpq s THR 165 CO 0.04 0.54 0.02 -0.63 -0.69 0.00 0.00 174.62 173.91 1wpq s ILE 166 N 0.40 4.16 -0.36 1.82 1.01 -0.97 0.20 121.20 127.46 1wpq s ILE 166 Ca -0.18 -0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.11 1wpq s ILE 166 Cb -0.18 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 39.41 1wpq s ILE 166 CO 0.08 0.41 0.23 -0.83 0.00 0.00 0.00 174.94 174.83 1wpq s GLY 167 N 1.02 1.95 -0.14 6.18 0.00 0.59 0.00 107.32 116.93 1wpq s GLY 167 Ca 0.03 -1.57 -0.07 0.00 0.00 0.00 0.00 44.72 43.11 1wpq s GLY 167 CO 0.02 0.82 0.33 0.00 0.00 0.00 0.00 173.10 174.28 1wpq h LYS 169 N 7.40 0.81 -6.38 0.00 1.57 -1.81 -3.37 116.57 114.80 1wpq h LYS 169 Ca -0.33 -0.54 -0.58 0.00 -1.87 0.00 0.00 60.65 57.32 1wpq h LYS 169 Cb 1.16 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.46 1wpq h LYS 169 CO 0.29 1.17 0.75 0.34 -0.57 0.00 0.00 179.45 181.43 1wpq s ASP 170 N -6.91 6.64 0.15 0.86 2.15 -1.26 -4.94 116.67 113.37 1wpq s ASP 170 Ca -0.11 0.46 -0.23 0.00 0.43 0.00 0.00 52.55 53.10 1wpq s ASP 170 Cb 0.09 -2.50 0.03 0.00 -0.30 0.00 0.00 42.92 40.24 1wpq s ASP 170 CO 0.88 -1.07 1.61 -0.65 -0.17 0.00 0.00 175.17 175.77 1wpq h PRO 171 N 8.89 -0.27 -0.64 4.34 0.11 -1.99 0.13 132.00 142.57 1wpq h PRO 171 Ca -0.23 0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.02 1wpq h PRO 171 Cb 1.07 0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.15 1wpq h PRO 171 CO 1.06 -0.18 0.16 0.00 -0.21 0.00 0.00 178.00 178.83 1wpq h ALA 172 N 0.70 0.80 -0.32 -0.75 0.00 -1.98 0.77 119.26 118.48 1wpq h ALA 172 Ca 0.15 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1wpq h ALA 172 Cb 0.52 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1wpq h ALA 172 CO -0.45 -0.29 -0.21 0.37 0.00 0.00 0.00 179.25 178.67 1wpq h GLN 173 N 0.29 0.61 -0.38 0.00 5.75 -1.68 -2.00 115.11 117.70 1wpq h GLN 173 Ca 0.34 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 1wpq h GLN 173 Cb 0.52 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 1wpq h GLN 173 CO -0.42 0.77 0.09 0.78 -2.65 0.00 0.00 178.83 177.41 1wpq h GLY 174 N 0.99 0.65 1.99 2.39 0.00 0.13 0.18 103.07 109.40 1wpq h GLY 174 Ca 0.08 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1wpq h GLY 174 CO 0.05 0.38 -0.30 -1.61 0.00 0.00 0.00 176.54 175.06 1wpq h GLN 175 N 0.47 0.01 0.36 4.80 5.75 -0.87 -0.77 115.11 124.86 1wpq h GLN 175 Ca 0.12 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1wpq h GLN 175 Cb 0.30 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.86 1wpq h GLN 175 CO 0.00 0.31 -0.18 1.25 -2.65 0.00 0.00 178.83 177.56 1wpq h LEU 176 N 0.01 -0.41 -1.55 -2.39 7.12 -0.72 -2.35 115.31 115.01 1wpq h LEU 176 Ca -0.00 -0.14 0.06 0.00 0.13 0.00 0.00 57.88 57.93 1wpq h LEU 176 Cb 0.54 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.74 1wpq h LEU 176 CO 0.04 0.02 0.38 -0.07 -0.13 0.00 0.00 178.44 178.67 1wpq h LEU 177 N -0.97 0.48 -0.58 2.25 3.38 -0.54 -1.56 115.31 117.77 1wpq h LEU 177 Ca -0.05 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1wpq h LEU 177 Cb 0.53 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1wpq h LEU 177 CO 0.08 0.32 0.09 0.50 0.09 0.00 0.00 178.44 179.52 1wpq h LYS 178 N 0.55 0.96 0.00 1.13 3.64 -1.14 0.33 116.57 122.05 1wpq h LYS 178 Ca 0.24 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1wpq h LYS 178 Cb 0.26 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1wpq h LYS 178 CO -0.07 0.92 -0.29 0.93 -2.27 0.00 0.00 179.45 178.67 1wpq h GLU 179 N 0.86 0.00 0.10 1.90 5.08 -0.74 0.33 114.58 122.11 1wpq h GLU 179 Ca 0.18 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.27 1wpq h GLU 179 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1wpq h GLU 179 CO 0.01 0.29 -1.17 1.25 -1.00 0.00 0.00 179.01 178.39 1wpq h LEU 180 N 0.00 0.45 0.00 1.33 5.85 -0.86 -3.38 115.31 118.70 1wpq h LEU 180 Ca -0.00 -0.45 -0.35 0.00 0.84 0.00 0.00 57.88 57.92 1wpq h LEU 180 Cb 0.54 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1wpq h LEU 180 CO 0.04 1.32 -2.16 0.23 -0.34 0.00 0.00 178.44 177.53 1wpq n MET 181 N -3.58 0.67 -1.97 1.25 2.81 0.06 -4.57 117.12 111.79 1wpq n MET 181 Ca -0.08 0.11 -0.37 0.00 -1.81 0.00 0.00 57.70 55.55 1wpq n MET 181 Cb 0.98 -1.62 0.03 0.00 -0.71 0.00 0.00 33.22 31.91 1wpq n MET 181 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1wpq s GLN 182 N -2.53 3.02 0.02 0.03 0.74 0.11 -4.92 119.66 116.13 1wpq s GLN 182 Ca -0.10 1.92 -0.12 0.00 0.05 0.00 0.00 55.36 57.10 1wpq s GLN 182 Cb 0.07 -2.01 0.01 0.00 1.10 0.00 0.00 33.01 32.18 1wpq s GLN 182 CO 0.81 -1.19 0.25 0.99 -0.55 0.00 0.00 175.29 175.60 1wpq s THR 183 N -1.52 0.08 0.49 -0.34 2.01 -0.57 -4.95 115.64 110.84 1wpq s THR 183 Ca 0.76 -0.69 0.23 0.00 0.31 0.00 0.00 61.69 62.30 1wpq s THR 183 Cb -0.33 -0.76 0.23 0.00 0.01 0.00 0.00 72.50 71.65 1wpq s THR 183 CO 0.36 -0.38 1.67 -0.65 -0.69 0.00 0.00 174.62 174.93 1wpq h PRO 184 N 3.64 0.00 0.00 4.92 0.11 -2.00 0.20 132.00 138.86 1wpq h PRO 184 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1wpq h PRO 184 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1wpq h PRO 184 CO 0.44 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.32 1wpq n ASN 185 N -2.62 1.62 -3.51 -2.05 4.13 -1.26 -4.78 115.26 106.79 1wpq n ASN 185 Ca -0.02 -1.63 -0.27 0.00 1.68 0.00 0.00 54.58 54.34 1wpq n ASN 185 Cb 0.42 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.56 1wpq n ASN 185 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1wpq n PHE 186 N -0.32 0.67 -2.81 3.10 7.35 0.69 -1.58 117.46 124.56 1wpq n PHE 186 Ca 0.00 -3.69 -0.42 0.00 -0.76 0.00 0.00 57.45 52.59 1wpq n PHE 186 Cb 0.16 -0.13 -0.03 0.00 0.35 0.00 0.00 39.48 39.83 1wpq n PHE 186 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1wpq s ARG 187 N -0.73 4.41 0.04 -4.13 1.81 -0.82 -1.51 118.95 118.02 1wpq s ARG 187 Ca 0.32 1.20 0.04 0.00 -1.72 0.00 0.00 55.73 55.57 1wpq s ARG 187 Cb 0.04 -3.52 -0.04 0.00 -0.45 0.00 0.00 34.95 30.99 1wpq s ARG 187 CO -0.17 -0.21 -0.07 0.42 -0.68 0.00 0.00 175.30 174.60 1wpq s ILE 188 N 1.67 3.62 -0.18 1.52 1.01 -1.26 -1.59 121.20 125.99 1wpq s ILE 188 Ca 0.44 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1wpq s ILE 188 Cb -0.18 -2.62 0.04 0.00 0.01 0.00 0.00 42.46 39.71 1wpq s ILE 188 CO 0.18 0.29 -0.08 -0.89 0.00 0.00 0.00 174.94 174.44 1wpq s THR 189 N -1.09 1.33 0.14 2.92 2.01 -1.08 -4.99 115.64 114.87 1wpq s THR 189 Ca 0.19 -0.76 -0.28 0.00 0.31 0.00 0.00 61.69 61.15 1wpq s THR 189 Cb -0.11 -1.45 -0.07 0.00 0.01 0.00 0.00 72.50 70.88 1wpq s THR 189 CO 0.10 0.17 0.88 -0.69 -0.69 0.00 0.00 174.62 174.39 1wpq s VAL 190 N 1.54 4.40 0.07 3.82 1.01 -1.26 -2.30 120.40 127.68 1wpq s VAL 190 Ca 0.00 1.91 0.02 0.00 0.00 0.00 0.00 61.98 63.92 1wpq s VAL 190 Cb -0.15 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1wpq s VAL 190 CO -0.08 0.42 -0.08 -0.69 0.00 0.00 0.00 175.10 174.67 1wpq s VAL 191 N -0.57 0.67 -0.12 2.92 1.01 0.10 -4.94 120.40 119.46 1wpq s VAL 191 Ca 0.41 -1.39 0.18 0.00 0.00 0.00 0.00 61.98 61.18 1wpq s VAL 191 Cb -0.23 -1.01 -0.18 0.00 0.00 0.00 0.00 36.38 34.95 1wpq s VAL 191 CO 0.28 -0.52 0.64 0.00 0.00 0.00 0.00 175.10 175.50 1wpq n GLN 192 N 0.95 0.64 -0.92 2.72 6.02 -1.26 -0.77 117.38 124.76 1wpq n GLN 192 Ca -0.19 0.13 -0.31 0.00 -0.01 0.00 0.00 57.00 56.62 1wpq n GLN 192 Cb 0.57 -1.72 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 1wpq n GLN 192 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1wpq n GLU 193 N -2.78 1.83 -0.30 -1.09 2.13 -1.26 -4.42 120.64 114.75 1wpq n GLU 193 Ca -0.13 -1.63 -0.03 0.00 0.66 0.00 0.00 57.16 56.03 1wpq n GLU 193 Cb 0.86 -2.66 0.02 0.00 0.27 0.00 0.00 31.44 29.94 1wpq n GLU 193 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1wpq h VAL 194 N 3.89 0.08 -0.36 6.31 2.07 -1.88 -2.75 116.25 123.61 1wpq h VAL 194 Ca 0.46 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.04 1wpq h VAL 194 Cb 0.38 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 1wpq h VAL 194 CO 1.66 0.00 0.05 0.44 0.02 0.00 0.00 177.57 179.74 1wpq h ASP 195 N -0.08 -0.03 -0.68 0.57 3.32 -1.95 -2.00 116.42 115.56 1wpq h ASP 195 Ca 0.29 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1wpq h ASP 195 Cb 0.57 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 1wpq h ASP 195 CO -0.84 0.02 0.34 0.74 -1.72 0.00 0.00 179.24 177.78 1wpq h THR 196 N 0.16 1.22 -0.54 0.35 2.02 -1.83 -0.94 112.91 113.35 1wpq h THR 196 Ca 0.17 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 1wpq h THR 196 Cb 0.21 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1wpq h THR 196 CO -0.24 0.26 0.15 0.58 0.37 0.00 0.00 175.52 176.63 1wpq h VAL 197 N 0.94 1.22 0.01 3.16 2.07 -1.27 -2.02 116.25 120.37 1wpq h VAL 197 Ca 0.24 -0.78 -0.20 0.00 0.82 0.00 0.00 66.70 66.78 1wpq h VAL 197 Cb 0.09 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1wpq h VAL 197 CO -0.03 0.29 -0.89 -0.08 0.02 0.00 0.00 177.57 176.88 1wpq h GLU 198 N 0.80 0.17 0.00 1.57 4.81 -1.01 -3.20 114.58 117.72 1wpq h GLU 198 Ca 0.18 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1wpq h GLU 198 Cb 0.27 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1wpq h GLU 198 CO -0.00 0.95 -0.13 0.97 -0.73 0.00 0.00 179.01 180.07 1wpq h ILE 199 N 0.09 0.23 -0.56 2.32 2.10 -1.00 -3.05 117.51 117.64 1wpq h ILE 199 Ca -0.04 -1.31 -0.09 0.00 1.08 0.00 0.00 64.86 64.50 1wpq h ILE 199 Cb 1.54 2.09 -0.02 0.00 -1.09 0.00 0.00 36.82 39.34 1wpq h ILE 199 CO 0.13 0.13 -0.00 0.00 -1.08 0.00 0.00 178.15 177.33 1wpq h GLY 201 N 1.00 0.63 0.76 0.00 0.00 -1.55 -2.54 103.07 101.37 1wpq h GLY 201 Ca 0.16 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1wpq h GLY 201 CO 0.03 0.46 -0.21 0.00 0.00 0.00 0.00 176.54 176.81 1wpq h ALA 202 N 0.81 -0.59 -0.30 3.60 0.00 -1.44 -3.31 119.26 118.03 1wpq h ALA 202 Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1wpq h ALA 202 Cb 0.52 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1wpq h ALA 202 CO 0.03 -0.71 0.08 -0.07 0.00 0.00 0.00 179.25 178.57 1wpq h LEU 203 N -0.84 0.39 -2.69 0.00 3.38 -1.40 -2.95 115.31 111.20 1wpq h LEU 203 Ca -0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1wpq h LEU 203 Cb 0.56 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1wpq h LEU 203 CO 0.10 0.40 -0.01 0.07 0.09 0.00 0.00 178.44 179.09 1wpq h LYS 204 N 0.43 0.00 -0.00 1.13 5.09 -1.53 -2.35 116.57 119.33 1wpq h LYS 204 Ca 0.10 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.68 1wpq h LYS 204 Cb 0.16 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.47 1wpq h LYS 204 CO -0.00 0.01 -0.78 -0.91 -2.09 0.00 0.00 179.45 175.68 1wpq h ASN 205 N 0.00 0.05 -0.18 7.07 2.35 -1.66 -2.35 115.58 120.86 1wpq h ASN 205 Ca -0.00 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1wpq h ASN 205 Cb 0.04 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1wpq h ASN 205 CO 0.00 0.80 -0.05 0.58 -1.65 0.00 0.00 177.43 177.11 1wpq h VAL 206 N 0.02 1.29 -0.93 2.81 2.07 -1.59 -2.05 116.25 117.87 1wpq h VAL 206 Ca -0.01 -1.04 0.08 0.00 0.82 0.00 0.00 66.70 66.55 1wpq h VAL 206 Cb 1.37 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 32.68 1wpq h VAL 206 CO 0.10 0.31 0.58 0.58 0.02 0.00 0.00 177.57 179.17 1wpq h VAL 207 N 0.05 1.01 0.00 2.57 2.07 -1.52 -0.93 116.25 119.50 1wpq h VAL 207 Ca 0.04 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1wpq h VAL 207 Cb 0.50 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1wpq h VAL 207 CO 0.02 0.18 -0.25 0.00 0.02 0.00 0.00 177.57 177.54 1wpq h ALA 208 N 1.46 1.33 -0.25 1.67 0.00 -1.14 -1.02 119.26 121.30 1wpq h ALA 208 Ca 0.42 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1wpq h ALA 208 Cb 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1wpq h ALA 208 CO -0.21 0.31 -0.11 0.28 0.00 0.00 0.00 179.25 179.53 1wpq h VAL 209 N 0.00 1.30 -0.72 0.00 2.07 -0.45 -0.84 116.25 117.60 1wpq h VAL 209 Ca -0.00 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 1wpq h VAL 209 Cb 0.53 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1wpq h VAL 209 CO 0.03 0.36 0.23 1.23 0.02 0.00 0.00 177.57 179.45 1wpq h GLY 210 N 0.24 1.20 0.84 2.17 0.00 -1.21 0.29 103.07 106.60 1wpq h GLY 210 Ca 0.06 -0.71 0.04 0.00 0.00 0.00 0.00 47.33 46.72 1wpq h GLY 210 CO 0.03 0.66 0.50 0.00 0.00 0.00 0.00 176.54 177.74 1wpq h ALA 211 N 1.11 1.06 -0.76 3.60 0.00 -1.07 -0.22 119.26 122.99 1wpq h ALA 211 Ca 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1wpq h ALA 211 Cb 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1wpq h ALA 211 CO -0.01 0.30 0.38 0.78 0.00 0.00 0.00 179.25 180.70 1wpq h GLY 212 N 0.97 1.15 0.81 0.00 0.00 -0.32 -2.43 103.07 103.26 1wpq h GLY 212 Ca 0.33 -0.56 0.03 0.00 0.00 0.00 0.00 47.33 47.12 1wpq h GLY 212 CO -0.13 0.53 0.15 0.74 0.00 0.00 0.00 176.54 177.84 1wpq h PHE 213 N 1.06 0.28 -0.62 5.60 0.05 0.48 -2.04 116.94 121.75 1wpq h PHE 213 Ca 0.26 0.01 0.05 0.00 3.82 0.00 0.00 57.97 62.11 1wpq h PHE 213 Cb 0.09 -0.08 -0.04 0.00 2.00 0.00 0.00 35.95 37.93 1wpq h PHE 213 CO 0.01 0.15 0.41 0.00 -0.18 0.00 0.00 178.31 178.69 1wpq h ASP 215 N 0.66 0.73 0.42 0.00 3.32 -0.96 -1.96 116.42 118.62 1wpq h ASP 215 Ca 0.26 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1wpq h ASP 215 Cb 0.19 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1wpq h ASP 215 CO -0.07 0.88 0.00 0.61 -1.72 0.00 0.00 179.24 178.94 1wpq n GLY 216 N -0.30 -1.07 0.31 2.75 0.00 -0.56 -0.68 105.19 105.65 1wpq n GLY 216 Ca -0.01 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1wpq n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wpq n LEU 217 N -2.15 1.34 0.00 0.99 4.77 -0.65 -4.60 117.00 116.69 1wpq n LEU 217 Ca 0.01 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1wpq n LEU 217 Cb 0.14 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1wpq n LEU 217 CO 0.15 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1wpq n GLY 218 N 1.38 0.88 3.93 -0.72 0.00 0.15 -5.08 105.19 105.73 1wpq n GLY 218 Ca 0.11 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1wpq n GLY 218 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wpq s PHE 219 N -2.00 3.13 0.00 1.61 0.40 -0.79 -5.02 117.98 115.31 1wpq s PHE 219 Ca 0.00 0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 1wpq s PHE 219 Cb 0.00 -2.72 0.00 0.00 0.51 0.00 0.00 43.02 40.81 1wpq s PHE 219 CO 0.00 -0.83 0.00 0.41 0.70 0.00 0.00 175.22 175.50 1wpq n GLY 220 N -2.50 3.99 0.29 4.36 0.00 -1.26 -4.57 105.19 105.50 1wpq n GLY 220 Ca 0.05 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 1wpq n GLY 220 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wpq h ASP 221 N 0.00 0.99 -0.73 1.61 3.32 -1.99 -2.21 116.42 117.41 1wpq h ASP 221 Ca 0.00 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.78 1wpq h ASP 221 Cb 0.00 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 1wpq h ASP 221 CO 0.00 1.05 0.48 0.78 -1.72 0.00 0.00 179.24 179.83 1wpq h ASN 222 N 0.89 0.76 -0.04 6.45 2.35 -1.99 0.06 115.58 124.07 1wpq h ASN 222 Ca 0.16 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 1wpq h ASN 222 Cb 0.54 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.74 1wpq h ASN 222 CO 0.03 0.53 -0.33 0.74 -1.65 0.00 0.00 177.43 176.75 1wpq h THR 223 N 0.89 1.46 -0.66 2.81 2.02 -1.93 -2.69 112.91 114.80 1wpq h THR 223 Ca 0.29 -1.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.63 1wpq h THR 223 Cb 0.05 2.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.93 1wpq h THR 223 CO -0.08 0.52 0.37 0.50 0.37 0.00 0.00 175.52 177.19 1wpq h LYS 224 N -0.27 0.91 -0.80 6.66 3.64 -1.17 -0.21 116.57 125.34 1wpq h LYS 224 Ca -0.03 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1wpq h LYS 224 Cb 1.02 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 1wpq h LYS 224 CO 0.07 0.67 0.48 0.00 -2.27 0.00 0.00 179.45 178.39 1wpq h ALA 225 N 1.48 1.01 -0.34 5.00 0.00 -0.99 -0.34 119.26 125.10 1wpq h ALA 225 Ca 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1wpq h ALA 225 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1wpq h ALA 225 CO -0.04 0.48 0.04 0.00 0.00 0.00 0.00 179.25 179.73 1wpq h ALA 226 N 1.26 0.45 -0.79 0.00 0.00 -0.89 0.91 119.26 120.19 1wpq h ALA 226 Ca 0.29 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wpq h ALA 226 Cb -0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1wpq h ALA 226 CO -0.05 0.16 0.49 0.28 0.00 0.00 0.00 179.25 180.13 1wpq h VAL 227 N 0.39 1.22 -0.58 0.00 2.07 -0.78 0.23 116.25 118.79 1wpq h VAL 227 Ca 0.10 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1wpq h VAL 227 Cb 0.38 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1wpq h VAL 227 CO 0.01 0.22 0.18 0.40 0.02 0.00 0.00 177.57 178.40 1wpq h ILE 228 N 1.08 1.24 -0.41 4.57 2.04 -0.83 -0.09 117.51 125.10 1wpq h ILE 228 Ca 0.29 -0.82 -0.09 0.00 1.00 0.00 0.00 64.86 65.23 1wpq h ILE 228 Cb -0.06 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1wpq h ILE 228 CO -0.06 0.31 -0.10 -0.09 0.00 0.00 0.00 178.15 178.21 1wpq h ARG 229 N 0.82 0.80 -0.14 2.37 2.43 -0.13 -1.85 114.38 118.69 1wpq h ARG 229 Ca 0.19 -0.31 -0.21 0.00 -0.81 0.00 0.00 59.98 58.83 1wpq h ARG 229 Cb 0.29 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1wpq h ARG 229 CO -0.01 0.93 -0.76 -0.07 -1.51 0.00 0.00 179.97 178.55 1wpq h LEU 230 N 0.62 0.85 -1.20 3.80 3.38 -0.47 -2.68 115.31 119.60 1wpq h LEU 230 Ca 0.10 -0.55 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 1wpq h LEU 230 Cb 0.63 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1wpq h LEU 230 CO 0.04 1.34 0.13 1.23 0.09 0.00 0.00 178.44 181.28 1wpq h GLY 231 N 0.72 0.74 1.59 0.83 0.00 -1.00 -1.30 103.07 104.65 1wpq h GLY 231 Ca -0.05 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 1wpq h GLY 231 CO 0.15 0.37 -0.20 -2.00 0.00 0.00 0.00 176.54 174.86 1wpq h LEU 232 N 0.67 0.48 -0.25 3.11 5.85 -1.25 0.18 115.31 124.11 1wpq h LEU 232 Ca 0.16 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1wpq h LEU 232 Cb 0.22 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1wpq h LEU 232 CO -0.01 0.69 0.15 -0.03 -0.34 0.00 0.00 178.44 178.90 1wpq h MET 233 N 0.44 0.33 -0.23 1.25 4.05 -0.92 -2.16 114.93 117.69 1wpq h MET 233 Ca 0.07 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.32 1wpq h MET 233 Cb 0.60 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 1wpq h MET 233 CO 0.04 0.27 -0.45 0.93 0.23 0.00 0.00 176.91 177.93 1wpq h GLU 234 N 0.31 0.57 0.05 0.39 5.08 -0.88 -2.06 114.58 118.04 1wpq h GLU 234 Ca 0.09 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1wpq h GLU 234 Cb 0.02 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1wpq h GLU 234 CO -0.02 0.91 -0.09 0.52 -1.00 0.00 0.00 179.01 179.33 1wpq h MET 235 N 0.46 -0.18 -0.66 2.33 2.86 -0.42 0.59 114.93 119.92 1wpq h MET 235 Ca 0.03 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1wpq h MET 235 Cb 0.96 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.63 1wpq h MET 235 CO 0.09 -0.12 0.23 0.82 1.06 0.00 0.00 176.91 178.99 1wpq h ILE 236 N -0.18 1.24 -0.50 -1.22 2.04 -1.40 0.74 117.51 118.23 1wpq h ILE 236 Ca 0.02 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 65.03 1wpq h ILE 236 Cb 0.20 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1wpq h ILE 236 CO -0.05 0.31 0.08 0.00 0.00 0.00 0.00 178.15 178.49 1wpq h ALA 237 N 1.29 0.66 -0.06 1.87 0.00 -0.82 -1.67 119.26 120.53 1wpq h ALA 237 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1wpq h ALA 237 Cb 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wpq h ALA 237 CO -0.01 0.40 0.01 0.35 0.00 0.00 0.00 179.25 180.00 1wpq h PHE 238 N 0.70 0.11 -0.54 0.00 3.57 0.71 -2.40 116.94 119.09 1wpq h PHE 238 Ca 0.15 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1wpq h PHE 238 Cb 0.40 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1wpq h PHE 238 CO 0.03 0.32 0.35 0.00 -2.23 0.00 0.00 178.31 176.77 1wpq h ALA 239 N 0.78 0.69 0.00 2.41 0.00 -0.81 -0.61 119.26 121.71 1wpq h ALA 239 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1wpq h ALA 239 Cb 0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wpq h ALA 239 CO 0.00 0.09 -0.14 0.87 0.00 0.00 0.00 179.25 180.07 1wpq h LYS 240 N 0.70 0.00 0.00 0.00 1.57 -1.28 -1.71 116.57 115.85 1wpq h LYS 240 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1wpq h LYS 240 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1wpq h LYS 240 CO -0.06 0.14 -0.25 1.25 -0.57 0.00 0.00 179.45 179.96 1wpq h LEU 241 N 0.00 0.00 -0.16 2.94 6.46 -0.81 -3.41 115.31 120.32 1wpq h LEU 241 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1wpq h LEU 241 Cb 0.35 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1wpq h LEU 241 CO 0.02 0.62 -0.29 0.49 -0.62 0.00 0.00 178.44 178.65 1wpq n PHE 242 N -4.63 0.00 -3.14 1.25 3.01 -0.31 -4.92 117.46 108.71 1wpq n PHE 242 Ca -0.04 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.06 1wpq n PHE 242 Cb 0.13 -0.24 -0.06 0.00 -0.01 0.00 0.00 39.48 39.30 1wpq n PHE 242 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wpq s SER 244 N -1.50 6.82 0.46 0.00 0.01 -1.26 -4.86 113.70 113.37 1wpq s SER 244 Ca 0.39 2.59 0.00 0.00 1.31 0.00 0.00 55.95 60.24 1wpq s SER 244 Cb -0.18 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.42 1wpq s SER 244 CO 0.21 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1wpq n GLY 245 N 1.33 0.34 2.60 3.44 0.00 -1.26 -4.82 105.19 106.83 1wpq n GLY 245 Ca 0.02 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 1wpq n GLY 245 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wpq n PRO 246 N -0.30 0.00 -3.43 1.61 -0.02 -1.26 -5.02 135.00 126.59 1wpq n PRO 246 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.32 1wpq n PRO 246 Cb 0.00 -1.11 -0.11 0.00 -0.02 0.00 0.00 33.50 32.26 1wpq n PRO 246 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wpq s VAL 247 N 0.17 -0.41 -0.10 -1.45 1.01 -1.26 -4.88 120.40 113.48 1wpq s VAL 247 Ca 0.68 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 1wpq s VAL 247 Cb -0.95 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1wpq s VAL 247 CO 0.44 -0.28 0.03 -0.94 0.00 0.00 0.00 175.10 174.34 1wpq s SER 248 N 2.39 5.43 0.38 3.32 1.04 -1.26 -4.90 113.70 120.10 1wpq s SER 248 Ca 0.09 0.19 0.06 0.00 0.48 0.00 0.00 55.95 56.78 1wpq s SER 248 Cb -0.15 -1.59 0.75 0.00 0.10 0.00 0.00 66.02 65.13 1wpq s SER 248 CO -0.20 0.37 1.96 0.28 0.98 0.00 0.00 173.24 176.64 1wpq h SER 249 N 5.20 0.44 -0.54 7.02 0.02 -2.01 -1.82 113.55 121.86 1wpq h SER 249 Ca -0.51 -0.05 0.16 0.00 -0.84 0.00 0.00 61.79 60.55 1wpq h SER 249 Cb 1.20 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1wpq h SER 249 CO 0.55 0.44 0.50 0.00 -1.14 0.00 0.00 176.83 177.18 1wpq h ALA 250 N 1.63 2.33 0.00 3.77 0.00 -2.01 0.18 119.26 125.16 1wpq h ALA 250 Ca 0.12 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1wpq h ALA 250 Cb 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1wpq h ALA 250 CO -0.01 -0.78 -0.38 1.15 0.00 0.00 0.00 179.25 179.24 1wpq h THR 251 N 0.00 1.11 0.00 0.00 2.02 -1.75 -2.61 112.91 111.68 1wpq h THR 251 Ca 0.26 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1wpq h THR 251 Cb 1.26 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1wpq h THR 251 CO -0.00 0.37 0.00 0.49 0.37 0.00 0.00 175.52 176.75 1wpq n PHE 252 N -3.85 0.00 1.25 3.16 3.01 0.63 -2.35 117.46 119.31 1wpq n PHE 252 Ca -0.01 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.56 1wpq n PHE 252 Cb 0.44 -0.48 0.39 0.00 -0.01 0.00 0.00 39.48 39.82 1wpq n PHE 252 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1wpq n LEU 253 N -1.48 1.68 -4.94 4.37 4.77 -0.98 -0.13 117.00 120.28 1wpq n LEU 253 Ca 0.06 -0.68 -0.26 0.00 -0.03 0.00 0.00 56.01 55.10 1wpq n LEU 253 Cb 0.26 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.34 1wpq n LEU 253 CO 0.21 0.34 0.61 -1.61 -1.33 0.00 0.00 177.39 175.61 1wpq s GLU 254 N -1.82 2.04 0.37 3.23 0.41 -0.99 -4.82 118.70 117.13 1wpq s GLU 254 Ca 0.33 -0.39 0.14 0.00 -0.41 0.00 0.00 54.97 54.64 1wpq s GLU 254 Cb 0.18 -2.18 0.98 0.00 -1.78 0.00 0.00 34.13 31.33 1wpq s GLU 254 CO 0.27 -1.32 1.80 1.03 -0.49 0.00 0.00 175.26 176.55 1wpq h SER 255 N -0.63 0.55 0.55 -0.19 0.87 -1.87 -0.41 113.55 112.41 1wpq h SER 255 Ca -0.43 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1wpq h SER 255 Cb 1.30 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1wpq h SER 255 CO 0.56 0.18 0.00 0.00 -0.53 0.00 0.00 176.83 177.04 1wpq n GLY 257 N -0.46 0.08 0.21 0.00 0.00 -0.16 -4.11 105.19 100.75 1wpq n GLY 257 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1wpq n GLY 257 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1wpq h VAL 258 N 0.00 0.74 -0.37 1.61 3.04 -0.61 -1.16 116.25 119.50 1wpq h VAL 258 Ca 0.00 -0.10 -0.05 0.00 -1.01 0.00 0.00 66.70 65.54 1wpq h VAL 258 Cb 0.00 0.42 -0.01 0.00 -2.01 0.00 0.00 31.29 29.69 1wpq h VAL 258 CO 0.00 0.05 0.04 0.00 -1.01 0.00 0.00 177.57 176.66 1wpq h ALA 259 N 1.39 0.49 -0.24 3.17 0.00 -1.72 -1.71 119.26 120.64 1wpq h ALA 259 Ca 0.27 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1wpq h ALA 259 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1wpq h ALA 259 CO -0.32 0.21 -0.24 0.22 0.00 0.00 0.00 179.25 179.13 1wpq h ASP 260 N 0.45 0.44 -0.29 0.00 1.82 -1.09 -2.08 116.42 115.67 1wpq h ASP 260 Ca 0.11 -0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.60 1wpq h ASP 260 Cb 0.39 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 1wpq h ASP 260 CO 0.01 0.68 0.15 0.25 -1.61 0.00 0.00 179.24 178.72 1wpq h LEU 261 N 0.39 0.37 0.43 2.28 5.85 -1.01 -2.43 115.31 121.19 1wpq h LEU 261 Ca 0.06 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1wpq h LEU 261 Cb 0.63 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1wpq h LEU 261 CO 0.05 0.36 -0.21 0.40 -0.34 0.00 0.00 178.44 178.70 1wpq h ILE 262 N 0.35 0.57 0.00 4.05 2.04 -1.00 -2.18 117.51 121.34 1wpq h ILE 262 Ca 0.10 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1wpq h ILE 262 Cb 0.08 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1wpq h ILE 262 CO -0.02 0.04 -0.16 0.00 0.00 0.00 0.00 178.15 178.01 1wpq h THR 263 N -0.71 0.93 -0.01 -0.27 1.03 -1.43 -2.58 112.91 109.87 1wpq h THR 263 Ca -0.06 -0.60 -0.23 0.00 -0.01 0.00 0.00 66.41 65.52 1wpq h THR 263 Cb 0.51 1.34 0.02 0.00 -1.07 0.00 0.00 68.15 68.95 1wpq h THR 263 CO 0.10 0.16 -0.88 0.74 -0.01 0.00 0.00 175.52 175.63 1wpq h THR 264 N 0.00 1.33 0.00 0.00 2.02 -1.39 -0.87 112.91 114.00 1wpq h THR 264 Ca -0.00 -2.17 -0.00 0.00 0.77 0.00 0.00 66.41 65.00 1wpq h THR 264 Cb 0.33 2.44 -0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1wpq h THR 264 CO 0.02 0.66 -0.02 0.00 0.37 0.00 0.00 175.52 176.55 1wpq n TYR 266 N -3.13 0.00 -2.01 0.00 4.02 -1.00 -4.72 117.16 110.33 1wpq n TYR 266 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1wpq n TYR 266 Cb 0.28 -1.00 -0.00 0.00 -0.02 0.00 0.00 39.34 38.60 1wpq n TYR 266 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wpq n GLY 267 N 1.75 0.64 3.92 2.72 0.00 -0.34 -5.03 105.19 108.85 1wpq n GLY 267 Ca -0.33 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 1wpq n GLY 267 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wpq s GLY 268 N -0.74 1.61 0.31 -0.02 0.00 -0.54 -4.96 107.32 102.98 1wpq s GLY 268 Ca 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1wpq s GLY 268 CO -0.00 -0.42 1.79 3.21 0.00 0.00 0.00 173.10 177.69 1wpq h ARG 269 N -0.17 0.50 -0.82 2.90 3.08 -1.97 -2.66 114.38 115.24 1wpq h ARG 269 Ca -0.45 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 59.47 1wpq h ARG 269 Cb 1.26 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.21 1wpq h ARG 269 CO 0.61 0.63 0.54 -0.91 -1.07 0.00 0.00 179.97 179.76 1wpq h ASN 270 N 0.46 0.92 -0.52 7.04 2.35 -1.92 -2.05 115.58 121.85 1wpq h ASN 270 Ca 0.08 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1wpq h ASN 270 Cb 0.51 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1wpq h ASN 270 CO 0.03 0.65 0.28 -0.09 -1.65 0.00 0.00 177.43 176.65 1wpq h ARG 271 N 1.08 0.73 0.44 0.81 2.43 -1.62 -0.55 114.38 117.70 1wpq h ARG 271 Ca 0.31 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1wpq h ARG 271 Cb -0.08 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1wpq h ARG 271 CO -0.08 0.58 -0.23 -0.22 -1.51 0.00 0.00 179.97 178.51 1wpq h LYS 272 N 0.70 -0.59 -0.21 0.20 3.64 -1.30 -0.84 116.57 118.17 1wpq h LYS 272 Ca 0.18 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1wpq h LYS 272 Cb 0.06 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1wpq h LYS 272 CO -0.03 -0.39 0.10 0.28 -2.27 0.00 0.00 179.45 177.14 1wpq h VAL 273 N -0.61 1.14 -0.17 2.00 2.07 -1.37 -1.68 116.25 117.63 1wpq h VAL 273 Ca -0.06 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.10 1wpq h VAL 273 Cb 0.48 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1wpq h VAL 273 CO 0.08 0.14 0.12 0.00 0.02 0.00 0.00 177.57 177.93 1wpq h ALA 274 N 0.96 2.14 -0.11 1.67 0.00 -1.05 0.28 119.26 123.15 1wpq h ALA 274 Ca 0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1wpq h ALA 274 Cb 0.13 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1wpq h ALA 274 CO -0.01 -0.19 -0.67 1.49 0.00 0.00 0.00 179.25 179.87 1wpq h GLU 275 N 0.01 0.64 -0.06 0.00 4.81 -0.61 -2.79 114.58 116.58 1wpq h GLU 275 Ca 0.08 -0.55 -0.09 0.00 -0.13 0.00 0.00 59.36 58.67 1wpq h GLU 275 Cb 0.30 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1wpq h GLU 275 CO -0.00 1.17 -0.39 0.00 -0.73 0.00 0.00 179.01 179.05 1wpq h ALA 276 N 0.48 1.24 -0.73 2.92 0.00 -0.29 -2.53 119.26 120.35 1wpq h ALA 276 Ca -0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1wpq h ALA 276 Cb 1.32 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1wpq h ALA 276 CO 0.14 0.54 0.21 0.35 0.00 0.00 0.00 179.25 180.49 1wpq h PHE 277 N 0.11 1.19 -0.06 0.00 3.57 -0.48 0.32 116.94 121.58 1wpq h PHE 277 Ca 0.01 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.31 1wpq h PHE 277 Cb 0.74 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1wpq h PHE 277 CO 0.01 0.94 -0.31 0.00 -2.23 0.00 0.00 178.31 176.72 1wpq h ALA 278 N 1.13 1.37 0.03 2.41 0.00 -1.18 -2.88 119.26 120.15 1wpq h ALA 278 Ca 0.23 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 1wpq h ALA 278 Cb 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1wpq h ALA 278 CO -0.00 0.45 -1.16 0.00 0.00 0.00 0.00 179.25 178.54 1wpq h ARG 279 N 0.10 0.07 0.00 0.00 3.08 -1.12 -3.43 114.38 113.08 1wpq h ARG 279 Ca 0.01 -0.12 -0.27 0.00 0.07 0.00 0.00 59.98 59.68 1wpq h ARG 279 Cb 0.60 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.65 1wpq h ARG 279 CO 0.04 1.06 -1.80 0.25 -1.07 0.00 0.00 179.97 178.45 1wpq n THR 280 N -4.29 1.41 -0.69 2.04 -2.24 0.06 -4.99 114.28 105.58 1wpq n THR 280 Ca -0.27 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1wpq n THR 280 Cb 0.72 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1wpq n THR 280 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wpq n GLY 281 N 1.55 0.82 3.75 3.38 0.00 -1.09 -5.04 105.19 108.57 1wpq n GLY 281 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1wpq n GLY 281 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wpq s LYS 282 N -0.31 1.41 0.45 1.61 1.02 -1.26 -5.00 119.74 117.65 1wpq s LYS 282 Ca 0.00 0.64 -0.21 0.00 0.02 0.00 0.00 55.97 56.42 1wpq s LYS 282 Cb 0.00 -1.84 -0.09 0.00 -0.52 0.00 0.00 37.83 35.38 1wpq s LYS 282 CO 0.00 -2.09 1.02 -1.54 -0.92 0.00 0.00 175.35 171.82 1wpq s SER 283 N -3.67 6.59 0.22 2.83 1.04 -1.26 -4.83 113.70 114.60 1wpq s SER 283 Ca 0.63 1.91 -0.11 0.00 0.48 0.00 0.00 55.95 58.86 1wpq s SER 283 Cb -0.16 -2.56 0.30 0.00 0.10 0.00 0.00 66.02 63.70 1wpq s SER 283 CO 0.56 -0.61 1.66 0.40 0.98 0.00 0.00 173.24 176.22 1wpq h ILE 284 N 1.81 0.47 -0.08 -1.02 1.08 -1.95 0.16 117.51 117.99 1wpq h ILE 284 Ca -0.49 -0.04 0.02 0.00 -0.39 0.00 0.00 64.86 63.97 1wpq h ILE 284 Cb 1.21 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 1wpq h ILE 284 CO 0.60 0.02 -0.06 -0.08 -0.69 0.00 0.00 178.15 177.94 1wpq h GLU 285 N 0.11 -0.07 -0.41 2.37 4.81 -1.97 0.11 114.58 119.54 1wpq h GLU 285 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1wpq h GLU 285 Cb 0.53 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1wpq h GLU 285 CO -0.55 -0.05 0.25 0.37 -0.73 0.00 0.00 179.01 178.31 1wpq h GLN 286 N -0.07 0.54 -0.34 1.92 4.15 -1.43 -0.94 115.11 118.94 1wpq h GLN 286 Ca 0.05 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 1wpq h GLN 286 Cb 0.15 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1wpq h GLN 286 CO -0.13 0.39 -0.05 -0.07 -1.93 0.00 0.00 178.83 177.04 1wpq h LEU 287 N 0.54 0.53 -0.38 -2.39 3.38 -0.60 0.24 115.31 116.63 1wpq h LEU 287 Ca 0.15 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1wpq h LEU 287 Cb -0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1wpq h LEU 287 CO -0.03 0.63 0.23 -0.08 0.09 0.00 0.00 178.44 179.29 1wpq h GLU 288 N 0.52 0.45 -0.09 1.13 4.81 0.12 0.18 114.58 121.71 1wpq h GLU 288 Ca 0.11 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.12 1wpq h GLU 288 Cb 0.41 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1wpq h GLU 288 CO 0.02 0.30 -0.73 -0.22 -0.73 0.00 0.00 179.01 177.65 1wpq h LYS 289 N 0.47 0.47 0.00 1.92 3.64 -0.67 -2.22 116.57 120.17 1wpq h LYS 289 Ca 0.15 -0.38 -0.15 0.00 -1.27 0.00 0.00 60.65 59.01 1wpq h LYS 289 Cb -0.01 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1wpq h LYS 289 CO -0.06 1.01 -0.70 0.93 -2.27 0.00 0.00 179.45 178.36 1wpq h GLU 290 N 0.32 0.00 0.00 1.90 5.08 -0.19 -3.38 114.58 118.30 1wpq h GLU 290 Ca -0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1wpq h GLU 290 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1wpq h GLU 290 CO 0.13 0.70 -1.60 1.28 -1.00 0.00 0.00 179.01 178.51 1wpq n LEU 291 N -3.47 0.00 -1.33 1.33 4.77 0.61 -4.71 117.00 114.20 1wpq n LEU 291 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1wpq n LEU 291 Cb 0.74 0.17 0.30 0.00 -2.33 0.00 0.00 43.42 42.30 1wpq n LEU 291 CO 0.43 0.17 0.76 0.18 -1.33 0.00 0.00 177.39 177.59 1wpq n LEU 292 N -2.21 3.91 -3.87 2.23 4.77 -0.84 -4.96 117.00 116.03 1wpq n LEU 292 Ca -0.12 -1.97 -0.25 0.00 -0.03 0.00 0.00 56.01 53.65 1wpq n LEU 292 Cb 0.65 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1wpq n LEU 292 CO 0.21 0.79 -0.33 -3.20 -1.33 0.00 0.00 177.39 173.53 1wpq n ASN 293 N 1.17 0.24 0.00 -1.43 5.15 -1.26 0.15 115.26 119.29 1wpq n ASN 293 Ca 0.22 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 53.25 1wpq n ASN 293 Cb 0.69 -1.18 0.00 0.00 -0.53 0.00 0.00 39.78 38.76 1wpq n ASN 293 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wpq n GLY 294 N -2.13 1.48 3.83 8.20 0.00 -1.26 -4.93 105.19 110.38 1wpq n GLY 294 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1wpq n GLY 294 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wpq s GLN 295 N -0.61 3.71 -0.12 1.61 -0.21 0.12 -5.04 119.66 119.13 1wpq s GLN 295 Ca 0.00 1.04 -0.04 0.00 0.02 0.00 0.00 55.36 56.37 1wpq s GLN 295 Cb 0.00 -2.10 -0.04 0.00 1.00 0.00 0.00 33.01 31.88 1wpq s GLN 295 CO 0.00 -0.48 0.05 0.15 -2.12 0.00 0.00 175.29 172.90 1wpq s LYS 296 N -4.11 3.32 0.07 2.91 -0.14 -1.26 -4.81 119.74 115.72 1wpq s LYS 296 Ca 0.60 -0.31 -0.25 0.00 -1.36 0.00 0.00 55.97 54.65 1wpq s LYS 296 Cb -0.12 -2.99 -0.06 0.00 -1.68 0.00 0.00 37.83 32.97 1wpq s LYS 296 CO 0.34 0.64 0.77 -0.51 -0.76 0.00 0.00 175.35 175.83 1wpq s LEU 297 N -0.68 4.48 -0.01 3.17 1.43 -1.26 -4.93 118.68 120.89 1wpq s LEU 297 Ca 0.12 1.49 0.13 0.00 -1.03 0.00 0.00 54.13 54.83 1wpq s LEU 297 Cb -0.12 -3.24 -0.16 0.00 0.03 0.00 0.00 46.19 42.70 1wpq s LEU 297 CO 0.02 0.06 0.49 0.00 0.23 0.00 0.00 176.35 177.15 1wpq n GLN 298 N 2.55 2.03 0.00 1.70 1.13 -1.26 -4.75 117.38 118.78 1wpq n GLN 298 Ca -0.03 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 54.99 1wpq n GLN 298 Cb 0.50 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.67 1wpq n GLN 298 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wpq n GLY 299 N 1.43 -2.61 0.40 1.08 0.00 -1.26 -2.68 105.19 101.54 1wpq n GLY 299 Ca 0.01 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1wpq n GLY 299 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wpq h PRO 300 N 0.00 -0.35 -0.48 1.61 0.11 -1.87 -1.96 132.00 129.07 1wpq h PRO 300 Ca 0.00 0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.19 1wpq h PRO 300 Cb 0.00 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.16 1wpq h PRO 300 CO 0.00 -0.23 0.32 1.05 -0.21 0.00 0.00 178.00 178.93 1wpq h GLU 301 N -0.36 0.42 -0.46 1.05 4.11 -1.86 0.42 114.58 117.90 1wpq h GLU 301 Ca 0.12 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 59.43 1wpq h GLU 301 Cb 0.59 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1wpq h GLU 301 CO -0.55 0.28 -0.10 1.15 0.07 0.00 0.00 179.01 179.87 1wpq h THR 302 N 0.43 1.26 -0.47 -1.06 2.02 -1.16 -0.69 112.91 113.25 1wpq h THR 302 Ca 0.21 -1.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.18 1wpq h THR 302 Cb 0.26 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1wpq h THR 302 CO -0.05 0.40 0.16 0.00 0.37 0.00 0.00 175.52 176.40 1wpq h ALA 303 N 1.14 0.61 -0.79 6.16 0.00 -0.31 -0.36 119.26 125.71 1wpq h ALA 303 Ca 0.13 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1wpq h ALA 303 Cb 0.59 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1wpq h ALA 303 CO 0.04 0.25 0.47 -0.09 0.00 0.00 0.00 179.25 179.91 1wpq h ARG 304 N 0.62 0.82 -0.67 0.00 2.43 -0.51 -0.09 114.38 116.97 1wpq h ARG 304 Ca 0.15 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1wpq h ARG 304 Cb 0.24 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1wpq h ARG 304 CO -0.01 0.54 0.10 0.93 -1.51 0.00 0.00 179.97 180.02 1wpq h GLU 305 N 0.84 1.11 -0.19 0.20 4.39 -0.71 -2.29 114.58 117.93 1wpq h GLU 305 Ca 0.35 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.76 1wpq h GLU 305 Cb 0.21 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1wpq h GLU 305 CO -0.19 1.02 0.09 -0.07 -1.16 0.00 0.00 179.01 178.70 1wpq h LEU 306 N 1.04 0.13 -0.28 1.33 3.38 0.03 -0.65 115.31 120.28 1wpq h LEU 306 Ca 0.20 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.25 1wpq h LEU 306 Cb 0.45 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 1wpq h LEU 306 CO 0.01 0.10 -0.31 0.22 0.09 0.00 0.00 178.44 178.55 1wpq h TYR 307 N 0.19 -0.86 -0.58 1.13 3.20 -0.75 0.11 116.97 119.41 1wpq h TYR 307 Ca 0.08 0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.03 1wpq h TYR 307 Cb 0.02 0.42 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 1wpq h TYR 307 CO -0.10 -0.38 0.33 1.03 -1.64 0.00 0.00 178.16 177.40 1wpq h SER 308 N -0.31 0.52 -0.84 -2.11 0.87 -1.05 -0.26 113.55 110.37 1wpq h SER 308 Ca 0.14 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1wpq h SER 308 Cb 0.53 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 1wpq h SER 308 CO -0.45 0.36 0.40 0.40 -0.53 0.00 0.00 176.83 177.01 1wpq h ILE 309 N 0.64 1.26 -0.18 2.23 2.04 -0.35 -2.28 117.51 120.88 1wpq h ILE 309 Ca 0.24 -0.73 -0.18 0.00 1.00 0.00 0.00 64.86 65.19 1wpq h ILE 309 Cb 0.08 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1wpq h ILE 309 CO -0.13 0.31 -0.62 -0.07 0.00 0.00 0.00 178.15 177.64 1wpq h LEU 310 N 1.19 0.71 -0.33 1.44 3.38 -0.25 -3.27 115.31 118.19 1wpq h LEU 310 Ca 0.29 -0.41 -0.18 0.00 0.09 0.00 0.00 57.88 57.66 1wpq h LEU 310 Cb 0.12 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1wpq h LEU 310 CO -0.04 1.16 -0.56 0.06 0.09 0.00 0.00 178.44 179.16 1wpq h GLN 311 N 0.46 0.82 0.00 1.13 3.07 -0.93 0.21 115.11 119.88 1wpq h GLN 311 Ca -0.01 -0.53 0.00 0.00 0.09 0.00 0.00 58.65 58.20 1wpq h GLN 311 Cb 1.20 0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.82 1wpq h GLN 311 CO 0.12 1.16 0.01 0.72 0.09 0.00 0.00 178.83 180.93 1wpq n HIS 312 N -4.00 0.15 0.03 0.06 8.25 -0.87 0.11 115.22 118.96 1wpq n HIS 312 Ca -0.04 0.08 0.02 0.00 -0.26 0.00 0.00 57.72 57.52 1wpq n HIS 312 Cb 0.63 -0.62 0.05 0.00 1.12 0.00 0.00 29.99 31.17 1wpq n HIS 312 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1wpq n LYS 313 N -1.65 1.65 -2.67 -0.41 4.76 -0.88 -4.98 118.16 113.97 1wpq n LYS 313 Ca -0.00 -1.36 -0.18 0.00 -2.87 0.00 0.00 58.31 53.90 1wpq n LYS 313 Cb 0.02 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 1wpq n LYS 313 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wpq n GLY 314 N 0.07 -0.50 1.11 0.72 0.00 0.30 -4.88 105.19 102.00 1wpq n GLY 314 Ca 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1wpq n GLY 314 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wpq n LEU 315 N -3.22 3.86 0.26 0.99 4.77 0.64 -4.76 117.00 119.52 1wpq n LEU 315 Ca -0.15 -3.95 0.10 0.00 -0.03 0.00 0.00 56.01 51.99 1wpq n LEU 315 Cb 0.62 -0.58 0.69 0.00 -2.33 0.00 0.00 43.42 41.82 1wpq n LEU 315 CO 0.31 1.41 0.99 0.58 -1.33 0.00 0.00 177.39 179.35 1wpq h VAL 316 N 1.12 0.77 -0.00 4.08 2.07 -1.90 -2.47 116.25 119.92 1wpq h VAL 316 Ca 0.18 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1wpq h VAL 316 Cb 1.41 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1wpq h VAL 316 CO 0.34 0.10 -0.04 -0.90 0.02 0.00 0.00 177.57 177.09 1wpq n ASP 317 N -3.98 0.11 0.10 0.57 3.85 -1.26 -3.72 116.55 112.22 1wpq n ASP 317 Ca -0.02 -0.18 0.13 0.00 -0.71 0.00 0.00 54.79 54.00 1wpq n ASP 317 Cb 0.19 -0.24 0.29 0.00 -1.35 0.00 0.00 41.12 40.01 1wpq n ASP 317 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 1wpq h LYS 318 N 0.12 0.00 -2.13 0.11 1.79 -1.83 -3.39 116.57 111.25 1wpq h LYS 318 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 1wpq h LYS 318 Cb 0.32 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.56 1wpq h LYS 318 CO 0.00 0.00 -0.78 1.19 -1.08 0.00 0.00 179.45 178.78 1wpq n PHE 319 N -2.30 2.29 -0.24 -1.35 3.01 -1.24 -4.97 117.46 112.65 1wpq n PHE 319 Ca 0.04 -3.95 -0.06 0.00 1.01 0.00 0.00 57.45 54.49 1wpq n PHE 319 Cb 0.45 -0.49 -0.01 0.00 -0.01 0.00 0.00 39.48 39.42 1wpq n PHE 319 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1wpq h PRO 320 N 4.04 -0.15 -0.02 -1.08 0.11 -1.82 0.01 132.00 133.09 1wpq h PRO 320 Ca 0.15 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 1wpq h PRO 320 Cb 0.73 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1wpq h PRO 320 CO 0.71 -0.10 0.01 1.25 -0.21 0.00 0.00 178.00 179.66 1wpq h LEU 321 N -0.16 0.03 -0.12 2.35 5.85 -1.93 0.38 115.31 121.70 1wpq h LEU 321 Ca 0.22 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1wpq h LEU 321 Cb 0.56 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1wpq h LEU 321 CO -0.75 0.06 -0.02 -0.26 -0.34 0.00 0.00 178.44 177.13 1wpq h PHE 322 N -0.01 -0.04 0.00 1.25 0.05 -1.86 -1.61 116.94 114.72 1wpq h PHE 322 Ca 0.01 0.01 -0.07 0.00 3.82 0.00 0.00 57.97 61.73 1wpq h PHE 322 Cb 0.04 0.04 -0.01 0.00 2.00 0.00 0.00 35.95 38.02 1wpq h PHE 322 CO -0.06 -0.04 -0.35 0.52 -0.18 0.00 0.00 178.31 178.20 1wpq h MET 323 N 0.02 0.00 -0.31 1.51 2.86 -0.86 -0.96 114.93 117.19 1wpq h MET 323 Ca 0.06 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.55 1wpq h MET 323 Cb 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1wpq h MET 323 CO -0.11 0.35 -0.40 0.00 1.06 0.00 0.00 176.91 177.80 1wpq h ALA 324 N 1.65 0.71 -0.37 6.32 0.00 0.12 0.29 119.26 127.98 1wpq h ALA 324 Ca -0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1wpq h ALA 324 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1wpq h ALA 324 CO 0.05 0.66 -0.00 0.28 0.00 0.00 0.00 179.25 180.24 1wpq h VAL 325 N 0.61 1.26 -0.46 0.00 2.07 -0.78 -1.94 116.25 117.00 1wpq h VAL 325 Ca 0.05 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1wpq h VAL 325 Cb 0.95 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1wpq h VAL 325 CO 0.09 0.33 0.25 0.22 0.02 0.00 0.00 177.57 178.48 1wpq h TYR 326 N 0.47 0.64 -0.44 1.57 3.20 -0.89 -2.55 116.97 118.97 1wpq h TYR 326 Ca 0.10 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 1wpq h TYR 326 Cb 0.47 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1wpq h TYR 326 CO 0.04 0.49 -0.11 0.87 -1.64 0.00 0.00 178.16 177.80 1wpq h LYS 327 N 0.60 0.80 -0.31 1.82 1.57 -0.31 -1.25 116.57 119.49 1wpq h LYS 327 Ca 0.16 -0.27 -0.16 0.00 -1.87 0.00 0.00 60.65 58.52 1wpq h LYS 327 Cb 0.07 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1wpq h LYS 327 CO -0.02 0.88 -0.41 0.28 -0.57 0.00 0.00 179.45 179.60 1wpq h VAL 328 N 0.72 1.28 -0.47 0.50 2.07 -1.30 0.38 116.25 119.42 1wpq h VAL 328 Ca 0.12 -1.59 -0.08 0.00 0.82 0.00 0.00 66.70 65.97 1wpq h VAL 328 Cb 0.60 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1wpq h VAL 328 CO 0.04 0.52 0.00 0.00 0.02 0.00 0.00 177.57 178.15 1wpq n TYR 330 N -4.35 0.00 0.76 0.00 4.02 -0.48 -4.77 117.16 112.34 1wpq n TYR 330 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 1wpq n TYR 330 Cb 0.31 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 1wpq n TYR 330 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1wpq n GLU 331 N -1.43 0.16 -0.40 -0.72 1.02 0.13 -4.97 120.64 114.43 1wpq n GLU 331 Ca -0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1wpq n GLU 331 Cb 0.02 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1wpq n GLU 331 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wpq n GLY 332 N 1.43 0.78 3.72 0.62 0.00 -0.97 -5.01 105.19 105.77 1wpq n GLY 332 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1wpq n GLY 332 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wpq s GLN 333 N -0.60 4.22 0.21 1.61 0.74 -1.16 -4.90 119.66 119.78 1wpq s GLN 333 Ca 0.00 2.36 -0.32 0.00 0.05 0.00 0.00 55.36 57.45 1wpq s GLN 333 Cb 0.00 -3.15 -0.13 0.00 1.10 0.00 0.00 33.01 30.83 1wpq s GLN 333 CO 0.00 -0.59 1.53 -2.30 -0.55 0.00 0.00 175.29 173.38 1wpq n PRO 334 N 3.80 2.24 0.26 1.67 -0.02 -1.26 -4.43 135.00 137.26 1wpq n PRO 334 Ca 0.13 0.80 0.14 0.00 -2.02 0.00 0.00 63.50 62.55 1wpq n PRO 334 Cb 0.39 -2.54 0.82 0.00 -0.02 0.00 0.00 33.50 32.15 1wpq n PRO 334 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1wpq h VAL 335 N 3.38 0.66 0.00 -1.45 3.04 -1.93 -1.98 116.25 117.97 1wpq h VAL 335 Ca -0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 1wpq h VAL 335 Cb 1.25 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 1wpq h VAL 335 CO 0.83 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 178.00 1wpq n GLY 336 N -1.41 -0.44 0.62 3.17 0.00 -1.26 -1.39 105.19 104.47 1wpq n GLY 336 Ca -0.02 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1wpq n GLY 336 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wpq n GLU 337 N -1.20 1.63 -0.03 1.61 1.02 -0.74 -4.56 120.64 118.37 1wpq n GLU 337 Ca 0.04 -1.28 -0.08 0.00 -0.02 0.00 0.00 57.16 55.82 1wpq n GLU 337 Cb 0.05 -1.40 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 1wpq n GLU 337 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1wpq h PHE 338 N 3.02 -0.19 -1.10 -0.32 3.57 -1.40 -1.40 116.94 119.12 1wpq h PHE 338 Ca 0.00 0.02 0.34 0.00 3.53 0.00 0.00 57.97 61.86 1wpq h PHE 338 Cb 0.76 0.11 -0.13 0.00 2.79 0.00 0.00 35.95 39.49 1wpq h PHE 338 CO 0.00 -0.13 0.68 0.82 -2.23 0.00 0.00 178.31 177.45 1wpq h ILE 339 N -0.05 0.32 -0.91 1.41 2.04 -1.80 0.19 117.51 118.70 1wpq h ILE 339 Ca 0.10 -0.10 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1wpq h ILE 339 Cb 0.20 0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 36.21 1wpq h ILE 339 CO -0.23 0.05 0.55 -0.74 0.00 0.00 0.00 178.15 177.78 1wpq h HIS 340 N 0.28 0.99 0.00 1.37 2.76 -1.56 0.28 115.15 119.27 1wpq h HIS 340 Ca 0.72 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.90 1wpq h HIS 340 Cb 1.87 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 30.52 1wpq h HIS 340 CO -0.01 0.39 -0.10 0.00 -1.30 0.00 0.00 177.93 176.92 1wpq h LEU 342 N 0.00 0.44 -2.11 0.00 3.38 -0.56 -2.75 115.31 113.71 1wpq h LEU 342 Ca -0.00 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 57.05 1wpq h LEU 342 Cb 0.39 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1wpq h LEU 342 CO 0.01 1.31 -0.05 1.56 0.09 0.00 0.00 178.44 181.37 1wpq h GLN 343 N -0.36 0.00 -0.23 1.13 4.20 -0.30 -2.86 115.11 116.68 1wpq h GLN 343 Ca -0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1wpq h GLN 343 Cb 1.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.28 1wpq h GLN 343 CO 0.13 0.05 0.00 0.09 -0.67 0.00 0.00 178.83 178.43 1wpq n ASN 344 N -4.13 2.71 -4.74 1.46 3.02 -0.85 -5.02 115.26 107.71 1wpq n ASN 344 Ca -0.03 -2.09 -0.42 0.00 -0.03 0.00 0.00 54.58 52.01 1wpq n ASN 344 Cb 0.13 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.09 1wpq n ASN 344 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1wpq s HIS 345 N -1.16 2.94 0.58 3.10 2.46 -1.04 -4.93 115.29 117.24 1wpq s HIS 345 Ca 0.18 0.78 -0.19 0.00 0.47 0.00 0.00 55.06 56.30 1wpq s HIS 345 Cb 0.10 -3.96 -0.07 0.00 -0.13 0.00 0.00 32.58 28.53 1wpq s HIS 345 CO 0.10 -3.31 0.80 -0.35 -2.47 0.00 0.00 174.74 169.51 1wpq n PRO 346 N 2.90 0.77 0.23 2.88 -0.04 -1.26 -4.88 135.00 135.60 1wpq n PRO 346 Ca 0.10 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 1wpq n PRO 346 Cb 0.38 -1.98 0.38 0.00 -0.04 0.00 0.00 33.50 32.24 1wpq n PRO 346 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wpq h GLU 347 N 0.44 0.00 -3.31 0.54 5.08 -2.01 -3.45 114.58 111.87 1wpq h GLU 347 Ca -0.47 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 1wpq h GLU 347 Cb 1.38 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.48 1wpq h GLU 347 CO 0.50 0.10 -0.11 -1.01 -1.00 0.00 0.00 179.01 177.48 1wpq s HIS 348 N -3.42 -0.19 0.00 4.33 3.76 -1.26 -5.17 115.29 113.33 1wpq s HIS 348 Ca 0.03 -0.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1wpq s HIS 348 Cb 0.08 0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.98 1wpq s HIS 348 CO 0.63 -0.64 0.00 -1.33 -0.85 0.00 0.00 174.74 172.55