#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2whf n HIS 7 N 0.00 0.36 -2.90 0.66 -0.00 -1.26 -4.58 115.22 107.50 2whf n HIS 7 Ca 0.00 -0.20 -0.40 0.00 -0.00 0.00 0.00 57.72 57.12 2whf n HIS 7 Cb 0.00 -0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 2whf n HIS 7 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 2whf s GLU 8 N -1.46 4.57 0.24 -0.41 2.56 -1.26 -4.68 118.70 118.26 2whf s GLU 8 Ca 0.33 1.20 -0.31 0.00 0.00 0.00 0.00 54.97 56.18 2whf s GLU 8 Cb 0.20 -3.36 -0.13 0.00 2.00 0.00 0.00 34.13 32.84 2whf s GLU 8 CO 0.28 0.29 1.45 0.34 -0.56 0.00 0.00 175.26 177.05 2whf n PHE 9 N 2.69 2.26 -3.63 5.30 7.35 -1.26 -5.00 117.46 125.17 2whf n PHE 9 Ca -0.01 0.39 -0.16 0.00 -0.76 0.00 0.00 57.45 56.91 2whf n PHE 9 Cb 0.50 -2.49 -0.07 0.00 0.35 0.00 0.00 39.48 37.77 2whf n PHE 9 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2whf s GLN 10 N -0.28 0.85 0.29 -4.13 -2.07 -1.26 -5.13 119.66 107.93 2whf s GLN 10 Ca 0.69 0.19 -0.29 0.00 -1.82 0.00 0.00 55.36 54.12 2whf s GLN 10 Cb -0.63 0.40 -0.10 0.00 -1.09 0.00 0.00 33.01 31.58 2whf s GLN 10 CO 0.48 -0.23 1.31 -0.51 -1.32 0.00 0.00 175.29 175.02 2whf s LEU 11 N -0.98 4.43 0.75 2.60 1.43 -1.26 -4.97 118.68 120.67 2whf s LEU 11 Ca -0.10 2.60 -0.14 0.00 -1.03 0.00 0.00 54.13 55.47 2whf s LEU 11 Cb -0.03 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.61 2whf s LEU 11 CO 0.06 -0.53 1.16 0.00 0.23 0.00 0.00 176.35 177.27 2whf s ALA 12 N -0.74 2.13 0.31 4.21 0.00 -1.26 -5.00 121.76 121.41 2whf s ALA 12 Ca 0.52 0.66 0.03 0.00 0.00 0.00 0.00 51.96 53.17 2whf s ALA 12 Cb -0.39 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 2whf s ALA 12 CO 0.48 -1.84 0.15 0.95 0.00 0.00 0.00 175.76 175.50 2whf s THR 13 N -2.31 0.42 0.41 0.00 -4.23 -1.26 -3.92 115.64 104.75 2whf s THR 13 Ca 0.69 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.35 2whf s THR 13 Cb -0.24 -2.52 0.35 0.00 1.34 0.00 0.00 72.50 71.43 2whf s THR 13 CO 0.48 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.46 2whf h ALA 14 N 2.17 2.06 0.00 3.99 0.00 -1.84 0.10 119.26 125.75 2whf h ALA 14 Ca -0.34 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2whf h ALA 14 Cb 1.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2whf h ALA 14 CO 0.54 -0.28 -0.25 1.05 0.00 0.00 0.00 179.25 180.31 2whf h GLU 15 N 0.47 0.00 -0.01 0.00 -0.00 -1.91 -3.19 114.58 109.95 2whf h GLU 15 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.76 2whf h GLU 15 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.60 2whf h GLU 15 CO -0.14 0.25 -0.25 0.25 -0.00 0.00 0.00 179.01 179.12 2whf n THR 16 N -3.37 0.00 0.29 -1.06 -2.24 -0.13 -4.43 114.28 103.34 2whf n THR 16 Ca 0.00 -0.38 0.16 0.00 -2.27 0.00 0.00 64.05 61.56 2whf n THR 16 Cb 0.47 1.19 0.88 0.00 -2.10 0.00 0.00 70.33 70.76 2whf n THR 16 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 2whf h TRP 17 N 1.76 0.00 -0.74 4.78 -0.00 -1.12 -3.23 115.95 117.40 2whf h TRP 17 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.88 2whf h TRP 17 Cb 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.62 2whf h TRP 17 CO 0.00 0.05 0.43 -1.35 -0.00 0.00 0.00 178.44 177.57 2whf h PRO 18 N 0.00 1.01 -1.70 0.49 0.11 -1.78 -3.36 132.00 126.77 2whf h PRO 18 Ca -0.00 -0.09 -0.48 0.00 0.11 0.00 0.00 66.00 65.54 2whf h PRO 18 Cb 0.17 -0.21 -0.36 0.00 0.11 0.00 0.00 31.00 30.71 2whf h PRO 18 CO 0.01 0.72 -1.05 -1.71 -0.21 0.00 0.00 178.00 175.76 2whf n ASN 19 N -4.38 0.03 0.00 -2.05 5.15 -1.22 -4.93 115.26 107.87 2whf n ASN 19 Ca 0.08 -2.95 0.08 0.00 -0.60 0.00 0.00 54.58 51.19 2whf n ASN 19 Cb 0.08 -0.25 0.40 0.00 -0.53 0.00 0.00 39.78 39.48 2whf n ASN 19 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2whf n PRO 20 N 0.86 0.13 -0.19 1.20 -0.05 -1.25 -4.28 135.00 131.41 2whf n PRO 20 Ca 0.21 0.16 -0.08 0.00 -0.05 0.00 0.00 63.50 63.74 2whf n PRO 20 Cb 0.61 -1.50 0.06 0.00 -0.05 0.00 0.00 33.50 32.62 2whf n PRO 20 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 175.50 173.96 2whf h TRP 21 N 0.00 1.10 -0.38 0.54 -0.00 -1.94 -2.23 115.95 113.04 2whf h TRP 21 Ca 0.00 -0.18 -0.07 0.00 -0.00 0.00 0.00 58.89 58.65 2whf h TRP 21 Cb 0.23 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 29.08 2whf h TRP 21 CO 0.00 0.96 -0.05 -1.35 -0.00 0.00 0.00 178.44 178.01 2whf h PRO 22 N 0.94 0.62 0.00 0.49 0.11 -1.94 -0.78 132.00 131.43 2whf h PRO 22 Ca 0.17 -0.16 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 2whf h PRO 22 Cb 0.52 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2whf h PRO 22 CO 0.03 0.67 -0.00 1.98 -0.21 0.00 0.00 178.00 180.47 2whf h MET 23 N 0.58 -0.00 -0.99 1.05 1.85 -1.67 -0.59 114.93 115.16 2whf h MET 23 Ca 0.11 0.00 0.11 0.00 -0.61 0.00 0.00 59.70 59.31 2whf h MET 23 Cb 0.44 0.00 -0.08 0.00 0.43 0.00 0.00 31.60 32.39 2whf h MET 23 CO 0.02 0.08 0.63 1.88 -0.40 0.00 0.00 176.91 179.12 2whf h TYR 24 N -0.08 1.14 -0.37 1.39 0.05 -1.00 -1.41 116.97 116.69 2whf h TYR 24 Ca -0.00 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.67 2whf h TYR 24 Cb 0.08 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.45 2whf h TYR 24 CO -0.05 0.49 -0.33 -0.09 -1.05 0.00 0.00 178.16 177.12 2whf h ARG 25 N 1.03 0.83 -0.70 4.88 1.12 -0.67 -0.97 114.38 119.89 2whf h ARG 25 Ca 0.48 -0.40 -0.03 0.00 -1.11 0.00 0.00 59.98 58.91 2whf h ARG 25 Cb 0.41 -0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.33 2whf h ARG 25 CO -0.24 1.04 0.31 0.00 -3.11 0.00 0.00 179.97 177.96 2whf h ALA 26 N 0.92 0.91 0.37 2.80 0.00 -0.50 -1.60 119.26 122.16 2whf h ALA 26 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2whf h ALA 26 Cb 0.89 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2whf h ALA 26 CO 0.08 0.50 -0.18 -0.07 0.00 0.00 0.00 179.25 179.59 2whf h LEU 27 N 0.99 -0.42 -0.97 0.00 3.38 -0.83 0.81 115.31 118.27 2whf h LEU 27 Ca 0.24 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.30 2whf h LEU 27 Cb 0.16 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 2whf h LEU 27 CO -0.02 -0.28 0.61 0.03 0.09 0.00 0.00 178.44 178.87 2whf h ARG 28 N -0.51 1.01 0.22 1.13 3.08 -1.03 0.19 114.38 118.47 2whf h ARG 28 Ca -0.05 -0.06 -0.35 0.00 0.07 0.00 0.00 59.98 59.59 2whf h ARG 28 Cb 0.39 -0.23 0.02 0.00 0.08 0.00 0.00 29.97 30.24 2whf h ARG 28 CO 0.08 0.67 -1.62 -0.44 -1.07 0.00 0.00 179.97 177.59 2whf h ASP 29 N 1.04 0.73 0.00 7.04 3.32 -1.21 -3.39 116.42 123.96 2whf h ASP 29 Ca 0.45 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2whf h ASP 29 Cb 0.32 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2whf h ASP 29 CO -0.22 1.75 -0.96 1.41 -1.72 0.00 0.00 179.24 179.50 2whf n HIS 30 N -3.65 0.00 -2.74 4.55 8.25 0.27 -4.85 115.22 117.05 2whf n HIS 30 Ca -0.21 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.18 2whf n HIS 30 Cb 1.09 -0.11 0.05 0.00 1.12 0.00 0.00 29.99 32.14 2whf n HIS 30 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2whf n ASP 31 N -1.54 -2.66 0.32 0.41 2.03 0.59 -5.02 116.55 110.68 2whf n ASP 31 Ca -0.00 -3.01 0.21 0.00 0.52 0.00 0.00 54.79 52.51 2whf n ASP 31 Cb 0.20 1.64 1.05 0.00 -0.72 0.00 0.00 41.12 43.29 2whf n ASP 31 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2whf h PRO 32 N 3.92 0.00 -3.16 -0.67 0.13 -1.48 -3.13 132.00 127.61 2whf h PRO 32 Ca -0.15 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.35 2whf h PRO 32 Cb 1.06 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.78 2whf h PRO 32 CO 0.22 0.00 -0.55 0.08 -0.23 0.00 0.00 178.00 177.52 2whf s VAL 33 N -4.02 2.94 -0.23 1.56 1.01 -1.26 -3.38 120.40 117.02 2whf s VAL 33 Ca -0.03 -4.08 -0.17 0.00 0.00 0.00 0.00 61.98 57.70 2whf s VAL 33 Cb 0.12 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2whf s VAL 33 CO 0.46 -0.97 0.46 -2.28 0.00 0.00 0.00 175.10 172.76 2whf s HIS 34 N -1.23 3.32 -0.26 5.22 2.46 -0.53 -4.89 115.29 119.37 2whf s HIS 34 Ca 0.23 0.62 -0.22 0.00 0.47 0.00 0.00 55.06 56.17 2whf s HIS 34 Cb -0.09 -2.63 -0.01 0.00 -0.13 0.00 0.00 32.58 29.73 2whf s HIS 34 CO -0.13 -0.15 0.72 -1.58 -2.47 0.00 0.00 174.74 171.13 2whf s HIS 35 N 1.82 3.27 -0.28 3.88 2.46 -1.26 -0.55 115.29 124.63 2whf s HIS 35 Ca 0.20 0.91 -0.10 0.00 0.47 0.00 0.00 55.06 56.54 2whf s HIS 35 Cb -0.15 -2.98 -0.04 0.00 -0.13 0.00 0.00 32.58 29.28 2whf s HIS 35 CO 0.09 -0.40 0.17 0.08 -2.47 0.00 0.00 174.74 172.21 2whf s VAL 36 N 2.70 5.08 -0.44 0.89 1.01 0.33 -5.01 120.40 124.94 2whf s VAL 36 Ca 0.30 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2whf s VAL 36 Cb -0.15 -3.44 0.12 0.00 0.00 0.00 0.00 36.38 32.91 2whf s VAL 36 CO 0.09 0.23 0.21 -0.69 0.00 0.00 0.00 175.10 174.94 2whf s VAL 37 N 1.72 2.94 -0.08 2.92 1.01 -1.26 -1.17 120.40 126.48 2whf s VAL 37 Ca 0.07 -2.51 -0.32 0.00 0.00 0.00 0.00 61.98 59.21 2whf s VAL 37 Cb -0.16 -3.04 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 2whf s VAL 37 CO 0.09 -0.71 1.98 -2.65 0.00 0.00 0.00 175.10 173.80 2whf n PRO 38 N 4.05 2.33 -0.35 2.72 -0.02 -1.26 -4.85 135.00 137.62 2whf n PRO 38 Ca 0.03 0.82 0.12 0.00 -2.02 0.00 0.00 63.50 62.45 2whf n PRO 38 Cb 0.39 -2.83 0.32 0.00 -0.02 0.00 0.00 33.50 31.36 2whf n PRO 38 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2whf h PRO 39 N 10.60 0.76 -0.10 0.52 0.11 -1.98 0.02 132.00 141.94 2whf h PRO 39 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2whf h PRO 39 Cb 1.26 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2whf h PRO 39 CO 0.95 0.50 0.00 1.04 -0.21 0.00 0.00 178.00 180.28 2whf n GLN 40 N -4.73 1.45 -2.72 1.05 3.00 -1.26 -4.33 117.38 109.84 2whf n GLN 40 Ca 0.23 -0.67 -0.08 0.00 -0.01 0.00 0.00 57.00 56.47 2whf n GLN 40 Cb 0.55 -1.36 0.09 0.00 0.00 0.00 0.00 30.24 29.51 2whf n GLN 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2whf n ARG 41 N -0.11 0.78 0.31 -1.09 5.12 -0.12 -5.02 116.66 116.53 2whf n ARG 41 Ca 0.16 -1.62 0.18 0.00 -1.93 0.00 0.00 57.85 54.64 2whf n ARG 41 Cb 0.23 -0.89 0.97 0.00 -1.16 0.00 0.00 32.46 31.62 2whf n ARG 41 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2whf h PRO 42 N 2.98 0.00 -0.07 5.56 0.13 -1.45 -0.71 132.00 138.43 2whf h PRO 42 Ca -0.16 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.00 2whf h PRO 42 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2whf h PRO 42 CO 0.12 0.03 0.08 0.93 -0.23 0.00 0.00 178.00 178.92 2whf h GLU 43 N 0.00 0.00 -0.95 0.86 3.07 -1.95 -2.70 114.58 112.91 2whf h GLU 43 Ca -0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 2whf h GLU 43 Cb 0.15 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 27.77 2whf h GLU 43 CO 0.00 0.00 0.65 0.66 -1.40 0.00 0.00 179.01 178.93 2whf n TYR 44 N -3.90 3.01 -1.74 4.33 4.02 -0.27 -4.99 117.16 117.62 2whf n TYR 44 Ca -0.01 -2.36 -0.35 0.00 -0.01 0.00 0.00 57.90 55.18 2whf n TYR 44 Cb 0.18 -1.12 0.06 0.00 -0.02 0.00 0.00 39.34 38.44 2whf n TYR 44 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 2whf s ASP 45 N -1.69 4.81 0.35 7.72 -4.77 -1.02 -4.70 116.67 117.37 2whf s ASP 45 Ca 0.59 2.28 -0.07 0.00 -3.30 0.00 0.00 52.55 52.05 2whf s ASP 45 Cb 0.49 -2.58 0.02 0.00 -1.09 0.00 0.00 42.92 39.75 2whf s ASP 45 CO 0.05 -1.85 0.57 -0.72 0.70 0.00 0.00 175.17 173.92 2whf s TYR 46 N -1.92 0.72 0.23 2.11 -0.85 -0.32 -4.58 117.35 112.74 2whf s TYR 46 Ca 0.74 -1.09 0.11 0.00 -0.52 0.00 0.00 57.07 56.30 2whf s TYR 46 Cb -0.27 0.21 -0.05 0.00 0.38 0.00 0.00 41.96 42.23 2whf s TYR 46 CO 0.39 -1.25 -0.17 0.71 -1.52 0.00 0.00 175.55 173.71 2whf s TYR 47 N -2.93 2.41 -0.07 -3.49 2.02 -0.24 -0.52 117.35 114.53 2whf s TYR 47 Ca 0.25 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.65 2whf s TYR 47 Cb -0.02 -1.12 0.02 0.00 -0.40 0.00 0.00 41.96 40.44 2whf s TYR 47 CO 0.17 0.59 -0.06 0.08 -1.57 0.00 0.00 175.55 174.76 2whf s VAL 48 N -2.04 0.74 -0.20 0.71 1.01 0.28 -0.01 120.40 120.90 2whf s VAL 48 Ca 0.26 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 2whf s VAL 48 Cb -0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2whf s VAL 48 CO 0.14 0.29 0.08 -0.76 0.00 0.00 0.00 175.10 174.85 2whf s LEU 49 N 1.17 3.82 0.00 3.92 1.43 0.05 -1.46 118.68 127.62 2whf s LEU 49 Ca -0.06 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2whf s LEU 49 Cb -0.14 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.10 2whf s LEU 49 CO -0.01 0.13 0.00 -1.54 0.23 0.00 0.00 176.35 175.15 2whf n SER 50 N 3.85 2.74 -4.87 2.29 3.41 -1.22 -1.49 113.62 118.33 2whf n SER 50 Ca -0.16 -0.17 -0.31 0.00 -0.26 0.00 0.00 58.87 57.97 2whf n SER 50 Cb 0.52 0.89 -0.05 0.00 -0.26 0.00 0.00 64.21 65.31 2whf n SER 50 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2whf s ARG 51 N -1.43 3.83 0.15 4.33 0.52 -1.26 -3.01 118.95 122.07 2whf s ARG 51 Ca 0.00 0.38 -0.17 0.00 -0.52 0.00 0.00 55.73 55.42 2whf s ARG 51 Cb 0.00 -2.53 0.01 0.00 0.52 0.00 0.00 34.95 32.95 2whf s ARG 51 CO 0.00 0.18 1.79 1.25 0.02 0.00 0.00 175.30 178.54 2whf h HIS 52 N 2.06 0.36 -0.92 -0.53 -0.00 -1.86 -1.22 115.15 113.04 2whf h HIS 52 Ca -0.47 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 59.94 2whf h HIS 52 Cb 1.18 -0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 28.42 2whf h HIS 52 CO 0.61 0.21 0.60 0.00 -0.00 0.00 0.00 177.93 179.35 2whf h ALA 53 N 1.16 1.21 0.05 5.26 0.00 -1.93 0.15 119.26 125.15 2whf h ALA 53 Ca 0.14 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 2whf h ALA 53 Cb 0.02 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.49 2whf h ALA 53 CO -0.07 0.49 -1.01 -0.44 0.00 0.00 0.00 179.25 178.22 2whf h ASP 54 N 1.18 0.80 -0.35 0.00 3.32 -1.91 -2.13 116.42 117.33 2whf h ASP 54 Ca 0.36 -0.78 -0.13 0.00 0.02 0.00 0.00 57.03 56.50 2whf h ASP 54 Cb -0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2whf h ASP 54 CO -0.11 1.49 -0.30 0.58 -1.72 0.00 0.00 179.24 179.18 2whf h VAL 55 N 0.21 1.29 -0.24 -1.35 2.07 -0.95 -1.16 116.25 116.12 2whf h VAL 55 Ca -0.14 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 2whf h VAL 55 Cb 1.69 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 2whf h VAL 55 CO 0.20 0.48 0.15 -0.25 0.02 0.00 0.00 177.57 178.16 2whf h TRP 56 N 0.61 0.32 -0.23 1.57 2.91 -0.72 -0.55 115.95 119.86 2whf h TRP 56 Ca 0.06 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 2whf h TRP 56 Cb 0.88 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.41 2whf h TRP 56 CO 0.07 0.25 0.11 1.03 -1.03 0.00 0.00 178.44 178.86 2whf h SER 57 N 0.30 0.30 -0.71 2.65 0.87 -1.34 -2.74 113.55 112.88 2whf h SER 57 Ca 0.09 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 2whf h SER 57 Cb 0.02 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 2whf h SER 57 CO -0.02 0.33 0.25 0.00 -0.53 0.00 0.00 176.83 176.87 2whf h ALA 58 N 0.98 1.07 -0.41 6.23 0.00 -1.06 -1.09 119.26 124.98 2whf h ALA 58 Ca 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2whf h ALA 58 Cb 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2whf h ALA 58 CO -0.01 0.64 0.19 0.00 0.00 0.00 0.00 179.25 180.07 2whf h ALA 59 N 1.20 0.53 -0.49 0.00 0.00 -1.01 -2.74 119.26 116.76 2whf h ALA 59 Ca 0.24 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2whf h ALA 59 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2whf h ALA 59 CO -0.01 0.10 -0.01 -0.09 0.00 0.00 0.00 179.25 179.24 2whf h ARG 60 N 0.52 0.81 -4.92 0.00 9.65 -1.30 -3.39 114.38 115.75 2whf h ARG 60 Ca 0.14 -0.23 -0.72 0.00 -1.10 0.00 0.00 59.98 58.07 2whf h ARG 60 Cb 0.14 -0.09 -0.13 0.00 -1.39 0.00 0.00 29.97 28.50 2whf h ARG 60 CO -0.02 0.82 1.85 -3.47 2.80 0.00 0.00 179.97 181.96 2whf n ASP 61 N -4.21 5.01 0.22 -3.80 -0.08 -0.43 -4.74 116.55 108.53 2whf n ASP 61 Ca 0.02 -2.96 0.09 0.00 -1.51 0.00 0.00 54.79 50.43 2whf n ASP 61 Cb 0.31 -1.63 0.51 0.00 2.34 0.00 0.00 41.12 42.66 2whf n ASP 61 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 2whf h HIS 62 N 7.03 0.00 -0.54 -0.67 2.07 -1.76 0.21 115.15 121.48 2whf h HIS 62 Ca 0.39 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.87 2whf h HIS 62 Cb 0.83 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.78 2whf h HIS 62 CO 1.25 0.25 0.20 1.96 -3.07 0.00 0.00 177.93 178.52 2whf h GLN 63 N 0.00 0.83 0.16 5.12 4.20 -1.95 -3.24 115.11 120.23 2whf h GLN 63 Ca -0.00 -0.16 -0.34 0.00 0.06 0.00 0.00 58.65 58.20 2whf h GLN 63 Cb 0.61 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2whf h GLN 63 CO 0.03 0.73 -1.74 1.15 -0.67 0.00 0.00 178.83 178.34 2whf h THR 64 N 0.74 0.94 -3.56 -0.54 2.02 -1.89 -3.42 112.91 107.20 2whf h THR 64 Ca 0.18 -2.55 -0.70 0.00 0.77 0.00 0.00 66.41 64.11 2whf h THR 64 Cb 0.23 2.73 -0.35 0.00 -1.74 0.00 0.00 68.15 69.02 2whf h THR 64 CO -0.01 0.85 -0.33 -0.36 0.37 0.00 0.00 175.52 176.03 2whf s PHE 65 N -2.58 3.42 0.26 3.16 0.08 0.04 -0.66 117.98 121.70 2whf s PHE 65 Ca -0.15 -2.70 -0.28 0.00 0.12 0.00 0.00 56.93 53.91 2whf s PHE 65 Cb 0.06 -3.22 -0.09 0.00 -0.57 0.00 0.00 43.02 39.19 2whf s PHE 65 CO 0.84 -0.84 0.93 0.45 -0.10 0.00 0.00 175.22 176.50 2whf s SER 66 N 0.69 7.52 0.00 1.36 0.15 -0.02 -4.26 113.70 119.13 2whf s SER 66 Ca 0.17 1.89 0.26 0.00 0.70 0.00 0.00 55.95 58.97 2whf s SER 66 Cb -0.19 -2.59 0.63 0.00 -1.71 0.00 0.00 66.02 62.15 2whf s SER 66 CO -0.04 0.09 1.49 -1.20 1.20 0.00 0.00 173.24 174.78 2whf n SER 67 N 1.17 1.23 0.05 5.45 7.64 -1.26 -0.60 113.62 127.30 2whf n SER 67 Ca -0.01 -1.03 0.09 0.00 1.01 0.00 0.00 58.87 58.93 2whf n SER 67 Cb 0.48 0.19 0.39 0.00 -1.01 0.00 0.00 64.21 64.26 2whf n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2whf n ALA 68 N -0.50 1.72 0.57 -0.43 0.00 -1.25 -2.07 120.51 118.55 2whf n ALA 68 Ca 0.12 -0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.64 2whf n ALA 68 Cb 0.37 -1.31 0.09 0.00 0.00 0.00 0.00 19.45 18.61 2whf n ALA 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2whf n GLN 69 N -1.79 1.57 0.00 0.00 1.13 -1.26 -4.94 117.38 112.09 2whf n GLN 69 Ca 0.03 -1.63 0.00 0.00 -1.94 0.00 0.00 57.00 53.46 2whf n GLN 69 Cb 0.21 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.22 2whf n GLN 69 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2whf n GLY 70 N 0.97 2.39 0.30 1.08 0.00 -0.88 -4.19 105.19 104.86 2whf n GLY 70 Ca 0.11 -2.14 0.03 0.00 0.00 0.00 0.00 46.02 44.02 2whf n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2whf n LEU 71 N 0.00 2.14 -4.90 0.99 4.77 -1.26 -4.56 117.00 114.17 2whf n LEU 71 Ca 0.00 -1.66 -0.23 0.00 -0.03 0.00 0.00 56.01 54.10 2whf n LEU 71 Cb 0.00 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 2whf n LEU 71 CO 0.00 0.51 0.06 0.42 -1.33 0.00 0.00 177.39 177.05 2whf s THR 72 N -0.82 2.21 -2.11 -5.08 -4.23 -1.26 0.13 115.64 104.47 2whf s THR 72 Ca 0.10 -1.36 0.21 0.00 -1.18 0.00 0.00 61.69 59.46 2whf s THR 72 Cb 0.06 -2.57 0.54 0.00 1.34 0.00 0.00 72.50 71.87 2whf s THR 72 CO 0.08 0.00 1.71 1.33 -0.54 0.00 0.00 174.62 177.20 2whf n VAL 73 N -1.71 0.06 -3.11 2.29 0.24 -1.26 -4.69 118.33 110.15 2whf n VAL 73 Ca 0.03 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 61.79 2whf n VAL 73 Cb 0.63 -0.06 -0.07 0.00 -1.47 0.00 0.00 33.84 32.87 2whf n VAL 73 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2whf s ASN 74 N -1.64 6.42 0.63 -1.34 3.84 -1.26 -4.97 114.94 116.62 2whf s ASN 74 Ca 0.32 0.10 -0.17 0.00 0.21 0.00 0.00 52.86 53.31 2whf s ASN 74 Cb 0.16 -2.33 -0.01 0.00 -0.55 0.00 0.00 41.25 38.51 2whf s ASN 74 CO 0.25 -0.62 1.20 -0.31 -2.79 0.00 0.00 177.10 174.83 2whf s TYR 75 N 2.73 2.33 0.00 0.43 2.02 -1.26 -2.31 117.35 121.29 2whf s TYR 75 Ca 0.24 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.48 2whf s TYR 75 Cb -0.14 -3.45 0.00 0.00 -0.40 0.00 0.00 41.96 37.97 2whf s TYR 75 CO 0.15 -2.25 0.00 0.41 -1.57 0.00 0.00 175.55 172.29 2whf n GLY 76 N 0.37 0.54 0.31 0.71 0.00 -1.26 -4.91 105.19 100.95 2whf n GLY 76 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 2whf n GLY 76 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2whf h GLU 77 N 1.52 -0.01 -0.10 1.61 4.81 -1.72 -1.45 114.58 119.22 2whf h GLU 77 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2whf h GLU 77 Cb 0.12 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 2whf h GLU 77 CO 0.00 -0.01 0.05 1.25 -0.73 0.00 0.00 179.01 179.57 2whf h LEU 78 N -0.01 0.14 -0.63 1.64 5.85 -1.88 -0.51 115.31 119.91 2whf h LEU 78 Ca 0.38 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.82 2whf h LEU 78 Cb 0.60 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2whf h LEU 78 CO -0.84 0.24 -0.51 -0.33 -0.34 0.00 0.00 178.44 176.65 2whf h GLU 79 N 0.03 0.45 -0.70 1.25 4.39 -1.91 0.55 114.58 118.64 2whf h GLU 79 Ca 0.04 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.40 2whf h GLU 79 Cb 0.14 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2whf h GLU 79 CO -0.00 0.86 0.16 1.98 -1.16 0.00 0.00 179.01 180.85 2whf h MET 80 N 0.36 1.12 0.00 2.33 4.05 -0.98 -2.60 114.93 119.21 2whf h MET 80 Ca 0.01 -0.28 -0.05 0.00 -0.28 0.00 0.00 59.70 59.11 2whf h MET 80 Cb 1.02 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 2whf h MET 80 CO 0.09 1.00 -0.55 -0.84 0.23 0.00 0.00 176.91 176.84 2whf h ILE 81 N 1.06 0.28 -0.50 1.77 3.07 -1.10 -3.49 117.51 118.60 2whf h ILE 81 Ca 0.22 -1.43 0.00 0.00 1.55 0.00 0.00 64.86 65.19 2whf h ILE 81 Cb 0.38 1.99 0.00 0.00 -0.27 0.00 0.00 36.82 38.92 2whf h ILE 81 CO 0.00 0.16 0.00 0.61 -1.05 0.00 0.00 178.15 177.87 2whf n GLY 82 N 1.19 0.99 0.73 0.16 0.00 0.00 -5.01 105.19 103.25 2whf n GLY 82 Ca 0.01 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.67 2whf n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2whf n LEU 83 N -0.25 3.29 -0.01 0.99 4.32 -0.16 -4.70 117.00 120.48 2whf n LEU 83 Ca 0.00 -2.38 -0.12 0.00 -0.02 0.00 0.00 56.01 53.49 2whf n LEU 83 Cb 0.29 -0.35 -0.08 0.00 -1.62 0.00 0.00 43.42 41.67 2whf n LEU 83 CO 0.00 0.71 0.76 -0.74 -1.22 0.00 0.00 177.39 176.89 2whf h HIS 84 N 1.93 0.08 -0.38 -1.77 -0.00 -1.94 -2.82 115.15 110.26 2whf h HIS 84 Ca 0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.29 2whf h HIS 84 Cb 1.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.37 2whf h HIS 84 CO 0.33 0.31 -0.03 -0.44 -0.00 0.00 0.00 177.93 178.11 2whf h ASP 85 N -0.17 0.68 -2.60 3.26 5.19 -1.96 -3.33 116.42 117.50 2whf h ASP 85 Ca 0.01 -0.33 -0.60 0.00 -0.62 0.00 0.00 57.03 55.50 2whf h ASP 85 Cb 0.28 -0.18 -0.40 0.00 0.18 0.00 0.00 39.33 39.20 2whf h ASP 85 CO 0.00 0.84 -0.76 0.41 -3.12 0.00 0.00 179.24 176.61 2whf n THR 86 N -4.44 0.58 -2.51 0.35 -1.04 -1.25 -5.11 114.28 100.86 2whf n THR 86 Ca -0.01 -4.37 -0.36 0.00 -2.04 0.00 0.00 64.05 57.27 2whf n THR 86 Cb 0.30 -1.98 -0.04 0.00 -1.82 0.00 0.00 70.33 66.80 2whf n THR 86 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2whf s PRO 87 N -1.11 4.06 0.92 -2.82 0.04 -1.06 -4.94 135.00 130.08 2whf s PRO 87 Ca 0.31 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 2whf s PRO 87 Cb 0.04 -2.45 0.14 0.00 0.04 0.00 0.00 34.50 32.27 2whf s PRO 87 CO -0.15 -0.24 1.10 -1.25 0.04 0.00 0.00 177.00 176.50 2whf s PRO 88 N -2.64 1.08 0.49 0.56 0.04 -1.26 -4.87 135.00 128.40 2whf s PRO 88 Ca 0.60 0.64 0.22 0.00 0.04 0.00 0.00 61.00 62.51 2whf s PRO 88 Cb -0.22 -1.80 1.25 0.00 0.04 0.00 0.00 34.50 33.77 2whf s PRO 88 CO 0.27 -2.32 2.02 0.00 0.04 0.00 0.00 177.00 177.02 2whf h MET 89 N -1.60 0.00 0.00 4.56 -0.00 -1.94 -0.14 114.93 115.81 2whf h MET 89 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.19 2whf h MET 89 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.90 2whf h MET 89 CO 0.57 0.16 0.00 1.33 -0.00 0.00 0.00 176.91 178.97 2whf n VAL 90 N -3.86 0.51 -1.41 -0.10 0.24 -1.26 -2.27 118.33 110.18 2whf n VAL 90 Ca -0.02 0.13 0.07 0.00 -2.04 0.00 0.00 64.34 62.48 2whf n VAL 90 Cb 0.26 -0.79 0.18 0.00 -1.47 0.00 0.00 33.84 32.02 2whf n VAL 90 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2whf n MET 91 N -1.40 1.41 -4.70 7.34 2.00 -0.07 -4.86 117.12 116.84 2whf n MET 91 Ca 0.07 -2.96 -0.32 0.00 0.00 0.00 0.00 57.70 54.49 2whf n MET 91 Cb 0.20 -1.52 -0.12 0.00 0.00 0.00 0.00 33.22 31.77 2whf n MET 91 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2whf s GLN 92 N -2.99 2.36 0.24 0.03 -0.21 -0.96 -3.95 119.66 114.19 2whf s GLN 92 Ca 0.35 -0.81 0.04 0.00 0.02 0.00 0.00 55.36 54.96 2whf s GLN 92 Cb 0.33 -2.34 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 2whf s GLN 92 CO -0.03 0.59 0.38 -0.51 -2.12 0.00 0.00 175.29 173.60 2whf s ASP 93 N -1.17 6.32 0.47 5.90 1.01 -1.26 -4.71 116.67 123.23 2whf s ASP 93 Ca 0.14 0.14 -0.24 0.00 0.71 0.00 0.00 52.55 53.30 2whf s ASP 93 Cb -0.11 -1.89 -0.07 0.00 1.01 0.00 0.00 42.92 41.86 2whf s ASP 93 CO 0.04 -0.09 1.33 -2.84 0.21 0.00 0.00 175.17 173.83 2whf s PRO 94 N -3.94 3.59 0.29 8.23 0.02 -1.26 -0.98 135.00 140.95 2whf s PRO 94 Ca 0.35 2.20 0.24 0.00 0.02 0.00 0.00 61.00 63.81 2whf s PRO 94 Cb -0.09 -2.51 0.40 0.00 0.02 0.00 0.00 34.50 32.32 2whf s PRO 94 CO 0.30 -0.82 1.51 -1.00 -0.33 0.00 0.00 177.00 176.66 2whf h PRO 95 N 2.09 0.00 -0.75 5.54 0.13 -2.03 -3.45 132.00 133.52 2whf h PRO 95 Ca -0.50 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.78 2whf h PRO 95 Cb 1.27 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.30 2whf h PRO 95 CO 0.60 0.00 0.25 0.28 -0.23 0.00 0.00 178.00 178.90 2whf h VAL 96 N 0.00 0.58 0.00 1.56 2.07 -1.83 -1.83 116.25 116.80 2whf h VAL 96 Ca 0.00 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 2whf h VAL 96 Cb 0.89 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2whf h VAL 96 CO 0.00 0.07 -0.29 -0.74 0.02 0.00 0.00 177.57 176.63 2whf h HIS 97 N 0.36 0.00 0.27 1.57 -0.00 -1.34 -3.36 115.15 112.65 2whf h HIS 97 Ca 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.78 2whf h HIS 97 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.11 2whf h HIS 97 CO -0.20 0.29 -0.13 1.15 -0.00 0.00 0.00 177.93 179.03 2whf h THR 98 N 0.00 0.77 -0.32 6.26 2.02 -1.60 -1.65 112.91 118.39 2whf h THR 98 Ca -0.00 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 2whf h THR 98 Cb 0.60 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2whf h THR 98 CO 0.04 0.06 0.07 -0.08 0.37 0.00 0.00 175.52 175.98 2whf h GLU 99 N -0.51 0.52 -0.39 6.66 4.57 -1.71 -0.87 114.58 122.85 2whf h GLU 99 Ca -0.04 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2whf h GLU 99 Cb 0.38 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 2whf h GLU 99 CO 0.06 0.59 0.22 0.35 -1.18 0.00 0.00 179.01 179.05 2whf h PHE 100 N 0.36 0.52 -0.82 0.92 3.57 -1.77 -0.41 116.94 119.32 2whf h PHE 100 Ca 0.10 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.68 2whf h PHE 100 Cb 0.31 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.81 2whf h PHE 100 CO 0.02 0.39 0.47 -0.09 -2.23 0.00 0.00 178.31 176.87 2whf h ARG 101 N 0.50 0.79 -0.65 1.11 9.65 -1.15 0.11 114.38 124.74 2whf h ARG 101 Ca 0.14 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.94 2whf h ARG 101 Cb 0.03 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.40 2whf h ARG 101 CO -0.02 0.52 0.30 -0.22 2.80 0.00 0.00 179.97 183.35 2whf h LYS 102 N 0.81 0.94 -0.19 0.20 3.64 0.14 -0.40 116.57 121.71 2whf h LYS 102 Ca 0.39 -0.14 -0.15 0.00 -1.27 0.00 0.00 60.65 59.47 2whf h LYS 102 Cb 0.32 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2whf h LYS 102 CO -0.23 0.76 -0.47 -0.07 -2.27 0.00 0.00 179.45 177.17 2whf h LEU 103 N 0.90 0.74 -0.74 5.20 3.38 0.05 -3.06 115.31 121.78 2whf h LEU 103 Ca 0.22 -0.57 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 2whf h LEU 103 Cb 0.14 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2whf h LEU 103 CO -0.03 1.18 -0.42 1.62 0.09 0.00 0.00 178.44 180.88 2whf h VAL 104 N 0.34 0.91 0.00 1.22 3.04 -0.65 -2.78 116.25 118.33 2whf h VAL 104 Ca -0.00 -1.71 0.00 0.00 -1.01 0.00 0.00 66.70 63.98 2whf h VAL 104 Cb 1.08 2.05 0.00 0.00 -2.01 0.00 0.00 31.29 32.40 2whf h VAL 104 CO 0.10 0.41 0.00 -1.54 -1.01 0.00 0.00 177.57 175.53 2whf n SER 105 N -3.47 0.50 0.31 3.17 3.41 -0.17 -0.83 113.62 116.52 2whf n SER 105 Ca 0.00 0.65 0.19 0.00 -0.26 0.00 0.00 58.87 59.45 2whf n SER 105 Cb 0.56 -0.74 0.95 0.00 -0.26 0.00 0.00 64.21 64.72 2whf n SER 105 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2whf h ARG 106 N 0.00 0.00 -0.26 4.33 3.08 -1.55 -1.83 114.38 118.15 2whf h ARG 106 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2whf h ARG 106 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2whf h ARG 106 CO 0.00 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 2whf n GLY 107 N -0.61 0.56 2.35 0.04 0.00 -0.01 -4.49 105.19 103.03 2whf n GLY 107 Ca -0.01 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 2whf n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2whf n PHE 108 N 0.50 1.43 -4.46 1.61 3.72 -0.69 -4.49 117.46 115.09 2whf n PHE 108 Ca 0.15 -3.83 -0.28 0.00 -0.05 0.00 0.00 57.45 53.44 2whf n PHE 108 Cb 0.34 -0.44 -0.08 0.00 -0.94 0.00 0.00 39.48 38.36 2whf n PHE 108 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2whf s THR 109 N -2.21 1.83 0.35 4.37 -4.23 -1.26 -5.00 115.64 109.48 2whf s THR 109 Ca 0.39 -1.87 0.08 0.00 -1.18 0.00 0.00 61.69 59.11 2whf s THR 109 Cb 0.21 -2.70 0.31 0.00 1.34 0.00 0.00 72.50 71.67 2whf s THR 109 CO -0.08 0.00 1.88 -0.65 -0.54 0.00 0.00 174.62 175.23 2whf h PRO 110 N 1.47 0.72 -0.59 3.99 0.11 -1.98 -1.02 132.00 134.69 2whf h PRO 110 Ca -0.43 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 65.75 2whf h PRO 110 Cb 1.27 -0.16 -0.09 0.00 0.11 0.00 0.00 31.00 32.13 2whf h PRO 110 CO 0.74 0.47 0.06 -0.09 -0.21 0.00 0.00 178.00 178.98 2whf h ARG 111 N 0.74 0.18 -0.20 1.05 2.43 -1.99 -0.43 114.38 116.16 2whf h ARG 111 Ca 0.43 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.53 2whf h ARG 111 Cb 0.63 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2whf h ARG 111 CO -0.20 0.12 -0.17 1.96 -1.51 0.00 0.00 179.97 180.18 2whf h GLN 112 N 0.18 0.33 -0.08 0.20 7.50 -1.51 -1.16 115.11 120.58 2whf h GLN 112 Ca 0.31 -0.09 -0.19 0.00 0.50 0.00 0.00 58.65 59.18 2whf h GLN 112 Cb 0.48 -0.04 -0.00 0.00 0.05 0.00 0.00 27.48 27.97 2whf h GLN 112 CO -0.45 0.50 -0.75 -0.39 -1.50 0.00 0.00 178.83 176.24 2whf h VAL 113 N 0.31 1.37 -0.51 -0.54 -1.51 -1.36 -3.28 116.25 110.73 2whf h VAL 113 Ca 0.06 -2.15 -0.06 0.00 -1.23 0.00 0.00 66.70 63.32 2whf h VAL 113 Cb 0.48 2.12 -0.02 0.00 -2.13 0.00 0.00 31.29 31.74 2whf h VAL 113 CO 0.03 0.65 0.07 -0.33 -1.23 0.00 0.00 177.57 176.76 2whf h GLU 114 N 0.29 0.85 0.00 5.19 5.08 -0.54 -2.84 114.58 122.61 2whf h GLU 114 Ca -0.04 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 2whf h GLU 114 Cb 1.33 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2whf h GLU 114 CO 0.13 0.84 -0.18 1.79 -1.00 0.00 0.00 179.01 180.59 2whf h THR 115 N 0.73 0.58 0.00 1.13 1.35 -1.31 -2.88 112.91 112.51 2whf h THR 115 Ca 0.15 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2whf h THR 115 Cb 0.41 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2whf h THR 115 CO 0.01 0.18 -0.97 0.55 -0.25 0.00 0.00 175.52 175.04 2whf n VAL 116 N -3.53 0.04 -0.25 6.82 3.14 -1.19 -4.54 118.33 118.82 2whf n VAL 116 Ca -0.01 -0.09 -0.05 0.00 -2.96 0.00 0.00 64.34 61.23 2whf n VAL 116 Cb 0.33 0.59 0.05 0.00 -1.06 0.00 0.00 33.84 33.76 2whf n VAL 116 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2whf h GLU 117 N 0.00 0.93 -0.02 1.45 4.81 -1.27 -1.20 114.58 119.27 2whf h GLU 117 Ca 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2whf h GLU 117 Cb 0.59 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2whf h GLU 117 CO 0.00 0.62 -0.12 -1.35 -0.73 0.00 0.00 179.01 177.43 2whf h PRO 118 N 0.95 0.03 -0.32 0.92 0.11 -1.80 -0.17 132.00 131.72 2whf h PRO 118 Ca 0.26 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 66.18 2whf h PRO 118 Cb -0.10 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.01 2whf h PRO 118 CO -0.05 0.16 -0.49 1.15 -0.21 0.00 0.00 178.00 178.56 2whf h THR 119 N 0.03 1.27 -0.38 -1.15 2.02 -1.54 -1.46 112.91 111.70 2whf h THR 119 Ca 0.01 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.52 2whf h THR 119 Cb 0.24 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 2whf h THR 119 CO 0.02 0.55 0.25 0.58 0.37 0.00 0.00 175.52 177.28 2whf h VAL 120 N 0.69 1.11 -0.26 3.16 2.07 -0.55 -2.29 116.25 120.18 2whf h VAL 120 Ca 0.03 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2whf h VAL 120 Cb 1.09 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2whf h VAL 120 CO 0.11 0.10 0.07 -0.09 0.02 0.00 0.00 177.57 177.79 2whf h ARG 121 N 0.51 0.41 -0.51 1.57 2.43 -0.94 -0.65 114.38 117.20 2whf h ARG 121 Ca 0.14 -0.09 0.10 0.00 -0.81 0.00 0.00 59.98 59.31 2whf h ARG 121 Cb -0.04 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.37 2whf h ARG 121 CO -0.03 0.49 0.04 -0.22 -1.51 0.00 0.00 179.97 178.74 2whf h LYS 122 N 0.25 0.15 -0.34 0.20 3.64 -1.18 -0.11 116.57 119.18 2whf h LYS 122 Ca 0.08 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 2whf h LYS 122 Cb 0.26 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2whf h LYS 122 CO -0.00 0.10 -0.05 0.35 -2.27 0.00 0.00 179.45 177.59 2whf h PHE 123 N 0.16 0.71 -0.17 1.91 3.57 -1.03 -0.51 116.94 121.58 2whf h PHE 123 Ca 0.26 -0.14 0.04 0.00 3.53 0.00 0.00 57.97 61.66 2whf h PHE 123 Cb 0.39 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 2whf h PHE 123 CO -0.29 0.78 -0.07 0.28 -2.23 0.00 0.00 178.31 176.78 2whf h VAL 124 N 0.43 0.76 -0.03 1.41 2.07 -0.81 -1.30 116.25 118.79 2whf h VAL 124 Ca 0.09 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.64 2whf h VAL 124 Cb 0.53 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2whf h VAL 124 CO 0.03 0.00 -0.12 0.58 0.02 0.00 0.00 177.57 178.08 2whf h VAL 125 N -0.04 0.69 -0.67 2.57 2.07 -0.86 0.99 116.25 121.00 2whf h VAL 125 Ca 0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.72 2whf h VAL 125 Cb 0.18 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 2whf h VAL 125 CO -0.20 0.00 0.26 -0.33 0.02 0.00 0.00 177.57 177.32 2whf h GLU 126 N -0.19 0.42 0.01 1.57 5.08 -0.84 -1.05 114.58 119.59 2whf h GLU 126 Ca 0.05 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 58.15 2whf h GLU 126 Cb 0.26 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2whf h GLU 126 CO -0.14 0.28 -1.00 0.00 -1.00 0.00 0.00 179.01 177.15 2whf h ARG 127 N 0.43 0.48 -0.22 2.33 2.47 -0.91 -2.31 114.38 116.66 2whf h ARG 127 Ca 0.35 -0.54 -0.08 0.00 -1.26 0.00 0.00 59.98 58.45 2whf h ARG 127 Cb 0.47 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 2whf h ARG 127 CO -0.35 1.18 -0.21 -0.07 0.56 0.00 0.00 179.97 181.08 2whf h LEU 128 N 0.26 0.39 -0.29 3.04 3.38 -0.57 -1.00 115.31 120.52 2whf h LEU 128 Ca -0.10 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.56 2whf h LEU 128 Cb 1.64 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2whf h LEU 128 CO 0.18 0.61 -0.68 -0.33 0.09 0.00 0.00 178.44 178.31 2whf h GLU 129 N 0.36 0.72 -0.49 1.13 4.39 -1.14 -0.69 114.58 118.85 2whf h GLU 129 Ca 0.06 -0.53 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 2whf h GLU 129 Cb 0.57 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 2whf h GLU 129 CO 0.04 1.15 0.28 0.87 -1.16 0.00 0.00 179.01 180.19 2whf h LYS 130 N 0.52 0.68 -0.28 2.33 6.56 -1.26 -0.64 116.57 124.49 2whf h LYS 130 Ca -0.02 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.49 2whf h LYS 130 Cb 1.28 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.79 2whf h LYS 130 CO 0.14 0.52 0.16 -0.07 -2.06 0.00 0.00 179.45 178.14 2whf h LEU 131 N 0.66 0.33 -0.27 2.94 3.38 -1.01 -2.15 115.31 119.18 2whf h LEU 131 Ca 0.18 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.13 2whf h LEU 131 Cb 0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2whf h LEU 131 CO -0.03 0.29 0.05 0.03 0.09 0.00 0.00 178.44 178.87 2whf h ARG 132 N 0.35 0.15 -0.59 1.13 3.08 -0.92 0.38 114.38 117.96 2whf h ARG 132 Ca 0.10 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.19 2whf h ARG 132 Cb 0.02 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 2whf h ARG 132 CO -0.02 0.10 0.39 0.00 -1.07 0.00 0.00 179.97 179.38 2whf h ALA 133 N 1.20 1.78 -0.05 0.04 0.00 -0.82 0.34 119.26 121.74 2whf h ALA 133 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2whf h ALA 133 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2whf h ALA 133 CO -0.17 0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.31 2whf n ASN 134 N -4.47 0.98 -0.21 0.00 3.02 -0.70 -4.90 115.26 108.98 2whf n ASN 134 Ca 0.08 -1.45 -0.03 0.00 -0.03 0.00 0.00 54.58 53.15 2whf n ASN 134 Cb 0.21 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.33 2whf n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2whf n GLY 135 N 1.06 0.48 0.00 7.41 0.00 0.12 -4.82 105.19 109.43 2whf n GLY 135 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2whf n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whf n GLY 136 N -1.06 0.79 0.00 -0.02 0.00 0.12 -1.57 105.19 103.46 2whf n GLY 136 Ca -0.03 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2whf n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whf n GLY 137 N 0.00 -0.92 3.54 -0.02 0.00 -0.02 -4.76 105.19 103.01 2whf n GLY 137 Ca 0.00 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 2whf n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2whf s ASP 138 N -4.00 6.40 0.59 1.61 -1.08 -1.26 -2.17 116.67 116.77 2whf s ASP 138 Ca 0.00 -0.15 0.37 0.00 -0.52 0.00 0.00 52.55 52.25 2whf s ASP 138 Cb 0.00 -2.44 1.70 0.00 -1.46 0.00 0.00 42.92 40.72 2whf s ASP 138 CO 0.00 -1.14 2.11 -0.29 0.52 0.00 0.00 175.17 176.37 2whf h ILE 139 N 6.04 0.01 0.29 4.11 2.10 -1.84 -1.38 117.51 126.84 2whf h ILE 139 Ca -0.25 -0.36 -0.01 0.00 1.08 0.00 0.00 64.86 65.32 2whf h ILE 139 Cb 1.07 1.35 0.00 0.00 -1.09 0.00 0.00 36.82 38.16 2whf h ILE 139 CO 1.06 0.00 -0.14 0.58 -1.08 0.00 0.00 178.15 178.57 2whf h VAL 140 N 0.00 0.48 -0.69 2.19 2.07 -1.90 -1.14 116.25 117.26 2whf h VAL 140 Ca -0.00 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 2whf h VAL 140 Cb 0.35 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2whf h VAL 140 CO 0.00 0.12 0.38 0.71 0.02 0.00 0.00 177.57 178.80 2whf h THR 141 N -0.97 1.20 0.00 2.57 1.35 -1.76 0.27 112.91 115.58 2whf h THR 141 Ca -0.04 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2whf h THR 141 Cb 0.49 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 2whf h THR 141 CO 0.06 0.22 -0.20 -0.33 -0.25 0.00 0.00 175.52 175.03 2whf h GLU 142 N 0.96 0.00 0.00 4.72 4.39 -1.35 -3.42 114.58 119.87 2whf h GLU 142 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2whf h GLU 142 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2whf h GLU 142 CO -0.04 0.00 0.00 -0.11 -1.16 0.00 0.00 179.01 177.70 2whf n LEU 143 N -2.34 -1.04 0.24 1.33 7.94 -0.88 -4.85 117.00 117.39 2whf n LEU 143 Ca 0.05 0.29 0.12 0.00 -1.11 0.00 0.00 56.01 55.36 2whf n LEU 143 Cb 0.45 1.19 0.50 0.00 0.53 0.00 0.00 43.42 46.10 2whf n LEU 143 CO 0.33 -0.35 0.86 -0.26 -1.11 0.00 0.00 177.39 176.86 2whf h PHE 144 N 0.00 0.00 0.00 1.96 0.04 -0.54 -0.79 116.94 117.61 2whf h PHE 144 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2whf h PHE 144 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2whf h PHE 144 CO 0.00 0.14 -0.09 -0.22 -0.60 0.00 0.00 178.31 177.53 2whf h LYS 145 N 0.00 0.00 -0.34 1.51 3.64 -1.23 -3.38 116.57 116.77 2whf h LYS 145 Ca -0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2whf h LYS 145 Cb 0.70 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 2whf h LYS 145 CO 0.02 0.11 0.05 -1.00 -2.27 0.00 0.00 179.45 176.36 2whf h PRO 146 N -1.00 0.51 0.02 1.90 0.13 -1.76 -3.33 132.00 128.48 2whf h PRO 146 Ca -0.01 -0.09 0.03 0.00 -0.87 0.00 0.00 66.00 65.06 2whf h PRO 146 Cb 0.19 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 31.18 2whf h PRO 146 CO -0.00 0.50 -0.33 1.25 -0.23 0.00 0.00 178.00 179.18 2whf h LEU 147 N 0.50 -1.00 -2.30 1.56 5.85 -1.34 -2.51 115.31 116.08 2whf h LEU 147 Ca 0.11 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2whf h LEU 147 Cb 0.25 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 2whf h LEU 147 CO 0.00 -0.40 -0.04 1.55 -0.34 0.00 0.00 178.44 179.21 2whf h PRO 148 N -0.50 0.00 -0.45 5.25 0.13 -1.77 -1.57 132.00 133.09 2whf h PRO 148 Ca 0.05 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.09 2whf h PRO 148 Cb 0.58 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 2whf h PRO 148 CO -0.26 0.04 -0.11 1.03 -0.23 0.00 0.00 178.00 178.47 2whf h SER 149 N 0.00 0.81 -0.60 1.44 0.87 -1.62 -0.87 113.55 113.58 2whf h SER 149 Ca -0.00 -0.25 -0.05 0.00 -1.23 0.00 0.00 61.79 60.26 2whf h SER 149 Cb 0.19 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 2whf h SER 149 CO 0.01 0.94 0.17 0.24 -0.53 0.00 0.00 176.83 177.66 2whf h MET 150 N 0.73 0.97 -0.24 2.24 2.86 -1.27 0.04 114.93 120.26 2whf h MET 150 Ca 0.12 -0.20 -0.14 0.00 -2.06 0.00 0.00 59.70 57.42 2whf h MET 150 Cb 0.61 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 2whf h MET 150 CO 0.04 0.85 -0.38 0.28 1.06 0.00 0.00 176.91 178.76 2whf h VAL 151 N 0.94 1.31 -0.69 -2.22 2.07 -1.39 -0.90 116.25 115.37 2whf h VAL 151 Ca 0.20 -1.59 0.04 0.00 0.82 0.00 0.00 66.70 66.17 2whf h VAL 151 Cb 0.30 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 2whf h VAL 151 CO -0.00 0.50 0.42 0.58 0.02 0.00 0.00 177.57 179.09 2whf h VAL 152 N 0.39 1.06 -0.54 2.57 2.07 -0.99 -1.37 116.25 119.45 2whf h VAL 152 Ca 0.02 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2whf h VAL 152 Cb 0.98 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2whf h VAL 152 CO 0.09 0.15 0.27 0.00 0.02 0.00 0.00 177.57 178.10 2whf h ALA 153 N 1.31 0.70 -0.60 1.67 0.00 -0.80 -0.93 119.26 120.61 2whf h ALA 153 Ca 0.29 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.30 2whf h ALA 153 Cb 0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 2whf h ALA 153 CO -0.13 -0.08 0.28 1.25 0.00 0.00 0.00 179.25 180.58 2whf h HIS 154 N 0.52 0.50 0.00 0.00 6.17 -0.68 -1.09 115.15 120.56 2whf h HIS 154 Ca 0.24 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.35 2whf h HIS 154 Cb 0.16 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 29.96 2whf h HIS 154 CO -0.10 0.19 0.00 1.88 0.71 0.00 0.00 177.93 180.60 2whf h TYR 155 N 0.50 0.00 -0.03 5.26 -1.99 -0.21 -1.85 116.97 118.65 2whf h TYR 155 Ca 0.29 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.02 2whf h TYR 155 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.01 2whf h TYR 155 CO -0.13 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.31 2whf n LEU 156 N -2.94 2.20 -1.92 3.88 4.77 -0.46 -2.68 117.00 119.86 2whf n LEU 156 Ca 0.01 -0.74 -0.17 0.00 -0.03 0.00 0.00 56.01 55.09 2whf n LEU 156 Cb 0.31 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 2whf n LEU 156 CO 0.26 0.37 -0.20 0.61 -1.33 0.00 0.00 177.39 177.11 2whf n GLY 157 N 1.26 -0.31 3.68 -0.72 0.00 -0.70 -4.59 105.19 103.82 2whf n GLY 157 Ca 0.17 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2whf n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2whf s VAL 158 N -2.84 4.25 0.38 1.61 1.01 -0.48 -4.99 120.40 119.34 2whf s VAL 158 Ca 0.02 1.57 -0.26 0.00 0.00 0.00 0.00 61.98 63.30 2whf s VAL 158 Cb -0.01 -4.01 -0.11 0.00 0.00 0.00 0.00 36.38 32.25 2whf s VAL 158 CO 0.02 -0.02 1.23 -2.65 0.00 0.00 0.00 175.10 173.68 2whf n PRO 159 N 5.35 1.90 -0.16 2.72 -0.02 -1.26 -4.60 135.00 138.93 2whf n PRO 159 Ca 0.11 0.67 0.13 0.00 -2.02 0.00 0.00 63.50 62.39 2whf n PRO 159 Cb 0.46 -2.28 0.47 0.00 -0.02 0.00 0.00 33.50 32.12 2whf n PRO 159 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2whf h GLU 160 N 2.19 0.47 0.00 -0.52 4.81 -1.97 0.44 114.58 120.00 2whf h GLU 160 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2whf h GLU 160 Cb 1.30 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2whf h GLU 160 CO 0.61 0.31 0.00 1.05 -0.73 0.00 0.00 179.01 180.25 2whf h GLU 161 N 0.49 0.00 -0.33 1.92 4.11 -2.04 -2.31 114.58 116.42 2whf h GLU 161 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 2whf h GLU 161 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2whf h GLU 161 CO -0.12 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.71 2whf n ASP 162 N -2.79 2.98 -0.13 3.06 8.00 0.14 -4.64 116.55 123.18 2whf n ASP 162 Ca -0.02 -1.88 -0.05 0.00 0.71 0.00 0.00 54.79 53.55 2whf n ASP 162 Cb 0.08 -0.22 0.14 0.00 -0.02 0.00 0.00 41.12 41.10 2whf n ASP 162 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 2whf h TRP 163 N 2.97 0.90 -0.35 1.24 4.06 -1.45 -0.95 115.95 122.37 2whf h TRP 163 Ca 0.00 -0.13 -0.02 0.00 2.06 0.00 0.00 58.89 60.80 2whf h TRP 163 Cb 0.77 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.67 2whf h TRP 163 CO 0.22 0.82 0.12 1.15 -3.56 0.00 0.00 178.44 177.19 2whf h THR 164 N 0.78 1.20 -0.70 1.49 2.02 -1.82 0.20 112.91 116.08 2whf h THR 164 Ca 0.15 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 2whf h THR 164 Cb 0.46 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2whf h THR 164 CO 0.02 0.22 0.33 -0.61 0.37 0.00 0.00 175.52 175.85 2whf h GLN 165 N 0.42 1.02 -0.57 6.66 4.15 -1.84 -2.02 115.11 122.92 2whf h GLN 165 Ca 0.12 -0.16 -0.10 0.00 0.77 0.00 0.00 58.65 59.28 2whf h GLN 165 Cb 0.22 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2whf h GLN 165 CO -0.01 0.81 -0.04 0.35 -1.93 0.00 0.00 178.83 178.02 2whf h PHE 166 N 0.98 1.12 -0.28 3.99 3.57 -1.00 -2.51 116.94 122.82 2whf h PHE 166 Ca 0.24 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2whf h PHE 166 Cb 0.14 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 2whf h PHE 166 CO 0.01 1.01 0.04 0.22 -2.23 0.00 0.00 178.31 177.35 2whf h ASP 167 N 0.93 0.37 -0.17 0.41 3.58 -0.35 -0.25 116.42 120.94 2whf h ASP 167 Ca 0.16 -0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.58 2whf h ASP 167 Cb 0.59 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 2whf h ASP 167 CO 0.04 0.41 0.04 1.23 -2.88 0.00 0.00 179.24 178.07 2whf h GLY 168 N 0.67 0.19 0.99 -0.78 0.00 -0.93 -0.63 103.07 102.59 2whf h GLY 168 Ca 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 2whf h GLY 168 CO 0.00 0.01 0.21 1.49 0.00 0.00 0.00 176.54 178.25 2whf h TRP 169 N 0.11 0.88 -0.15 5.60 6.55 -1.30 -2.79 115.95 124.84 2whf h TRP 169 Ca 0.08 -0.07 0.03 0.00 0.95 0.00 0.00 58.89 59.87 2whf h TRP 169 Cb 0.06 -0.26 -0.03 0.00 -0.86 0.00 0.00 29.16 28.07 2whf h TRP 169 CO -0.13 0.72 -0.04 1.15 -1.05 0.00 0.00 178.44 179.09 2whf h THR 170 N 0.78 0.84 -0.71 1.49 2.02 -0.80 -1.46 112.91 115.07 2whf h THR 170 Ca 0.19 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 2whf h THR 170 Cb 0.23 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 2whf h THR 170 CO -0.01 0.00 0.24 1.56 0.37 0.00 0.00 175.52 177.68 2whf h GLN 171 N -0.01 1.08 -0.15 6.66 1.08 -1.01 0.47 115.11 123.24 2whf h GLN 171 Ca 0.08 -0.21 0.03 0.00 -1.45 0.00 0.00 58.65 57.09 2whf h GLN 171 Cb 0.12 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 2whf h GLN 171 CO -0.16 0.90 -0.01 0.00 -0.95 0.00 0.00 178.83 178.61 2whf h ALA 172 N 1.22 0.12 -0.38 3.87 0.00 -1.33 -1.96 119.26 120.80 2whf h ALA 172 Ca 0.23 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2whf h ALA 172 Cb 0.26 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2whf h ALA 172 CO -0.01 -0.46 0.06 0.82 0.00 0.00 0.00 179.25 179.66 2whf h ILE 173 N 0.04 1.24 -0.56 0.00 2.04 -0.73 -2.00 117.51 117.53 2whf h ILE 173 Ca 0.07 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.07 2whf h ILE 173 Cb 0.09 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2whf h ILE 173 CO -0.13 0.29 0.37 0.58 0.00 0.00 0.00 178.15 179.26 2whf h VAL 174 N 0.48 1.15 0.01 1.67 2.07 -0.90 -1.20 116.25 119.53 2whf h VAL 174 Ca 0.12 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2whf h VAL 174 Cb 0.37 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2whf h VAL 174 CO 0.01 0.14 -0.00 0.00 0.02 0.00 0.00 177.57 177.74 2whf h ALA 175 N 1.20 -0.01 0.00 1.67 0.00 -1.27 -2.58 119.26 118.28 2whf h ALA 175 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2whf h ALA 175 Cb -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2whf h ALA 175 CO -0.04 -0.47 -0.04 0.00 0.00 0.00 0.00 179.25 178.69 2whf h ALA 176 N 0.92 1.51 0.00 0.00 0.00 -1.09 -2.88 119.26 117.72 2whf h ALA 176 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2whf h ALA 176 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2whf h ALA 176 CO 0.00 0.05 -0.81 -1.71 0.00 0.00 0.00 179.25 176.78 2whf n ASN 177 N -3.87 0.79 0.07 0.00 5.15 -0.48 -4.62 115.26 112.29 2whf n ASN 177 Ca -0.03 -0.68 -0.03 0.00 -0.60 0.00 0.00 54.58 53.24 2whf n ASN 177 Cb 0.13 0.70 -0.02 0.00 -0.53 0.00 0.00 39.78 40.07 2whf n ASN 177 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2whf h ALA 178 N 2.98 -0.43 0.19 5.20 0.00 -1.25 -3.51 119.26 122.44 2whf h ALA 178 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 2whf h ALA 178 Cb 0.51 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2whf h ALA 178 CO 0.00 -0.41 -1.65 -0.24 0.00 0.00 0.00 179.25 176.95 2whf h VAL 179 N -0.46 1.06 0.00 0.00 3.04 -1.78 -3.38 116.25 114.73 2whf h VAL 179 Ca -0.02 -2.62 0.00 0.00 -1.01 0.00 0.00 66.70 63.05 2whf h VAL 179 Cb 0.16 2.82 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 2whf h VAL 179 CO 0.03 0.84 0.00 0.61 -1.01 0.00 0.00 177.57 178.05 2whf n GLY 185 N 1.79 0.47 2.71 3.17 0.00 -1.26 -4.94 105.19 107.13 2whf n GLY 185 Ca -0.21 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 2whf n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whf n ALA 186 N 0.00 2.62 -0.18 4.61 0.00 -1.26 -4.80 120.51 121.49 2whf n ALA 186 Ca 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 53.44 51.13 2whf n ALA 186 Cb 0.00 -0.92 0.15 0.00 0.00 0.00 0.00 19.45 18.68 2whf n ALA 186 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2whf h LEU 187 N 2.36 0.88 -0.29 0.00 3.38 -1.99 -0.07 115.31 119.59 2whf h LEU 187 Ca -0.21 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 2whf h LEU 187 Cb 1.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2whf h LEU 187 CO 0.18 0.83 0.17 0.44 0.09 0.00 0.00 178.44 180.15 2whf h ASP 188 N 0.92 0.36 -0.55 -0.43 3.32 -1.99 -1.32 116.42 116.72 2whf h ASP 188 Ca 0.21 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2whf h ASP 188 Cb 0.26 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2whf h ASP 188 CO -0.01 0.32 0.30 0.00 -1.72 0.00 0.00 179.24 178.13 2whf h ALA 189 N 1.05 0.70 -0.68 3.45 0.00 -1.74 -0.44 119.26 121.60 2whf h ALA 189 Ca 0.10 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2whf h ALA 189 Cb 0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2whf h ALA 189 CO -0.02 0.22 0.42 0.28 0.00 0.00 0.00 179.25 180.16 2whf h VAL 190 N 0.74 1.09 -0.26 0.00 2.07 -0.88 0.01 116.25 119.02 2whf h VAL 190 Ca 0.19 -0.28 -0.18 0.00 0.82 0.00 0.00 66.70 67.25 2whf h VAL 190 Cb 0.05 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2whf h VAL 190 CO -0.03 0.15 -0.56 1.23 0.02 0.00 0.00 177.57 178.37 2whf h GLY 191 N 0.83 0.87 0.98 2.17 0.00 -1.06 0.11 103.07 106.97 2whf h GLY 191 Ca 0.27 -1.03 0.01 0.00 0.00 0.00 0.00 47.33 46.58 2whf h GLY 191 CO -0.11 0.93 0.41 1.76 0.00 0.00 0.00 176.54 179.53 2whf h SER 192 N 0.61 0.70 -0.23 0.19 0.02 -0.91 0.14 113.55 114.07 2whf h SER 192 Ca 0.01 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.79 2whf h SER 192 Cb 1.16 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2whf h SER 192 CO 0.12 0.50 -0.46 -0.03 -1.14 0.00 0.00 176.83 175.83 2whf h MET 193 N 0.83 0.71 -0.15 3.45 4.05 -0.82 0.06 114.93 123.06 2whf h MET 193 Ca 0.23 -0.46 -0.09 0.00 -0.28 0.00 0.00 59.70 59.10 2whf h MET 193 Cb -0.07 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 2whf h MET 193 CO -0.06 1.08 -0.33 0.52 0.23 0.00 0.00 176.91 178.35 2whf h MET 194 N 0.43 0.29 -0.43 0.39 2.07 -0.61 0.01 114.93 117.07 2whf h MET 194 Ca 0.01 -0.12 -0.12 0.00 -2.07 0.00 0.00 59.70 57.40 2whf h MET 194 Cb 1.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.77 2whf h MET 194 CO 0.10 0.59 -0.18 0.00 1.07 0.00 0.00 176.91 178.49 2whf h ALA 195 N 1.41 0.61 0.04 6.32 0.00 -0.58 -1.98 119.26 125.07 2whf h ALA 195 Ca 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2whf h ALA 195 Cb 0.71 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2whf h ALA 195 CO 0.05 0.56 -0.02 -0.92 0.00 0.00 0.00 179.25 178.92 2whf h TYR 196 N 0.72 -0.05 -0.14 0.00 3.20 -0.71 -2.66 116.97 117.33 2whf h TYR 196 Ca 0.10 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 2whf h TYR 196 Cb 0.74 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2whf h TYR 196 CO 0.05 0.23 -0.29 0.74 -1.64 0.00 0.00 178.16 177.25 2whf h PHE 197 N -0.33 0.30 -0.87 -3.82 0.04 -1.04 -0.75 116.94 110.47 2whf h PHE 197 Ca -0.01 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.72 2whf h PHE 197 Cb 0.30 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.33 2whf h PHE 197 CO 0.02 0.54 0.57 1.79 -0.60 0.00 0.00 178.31 180.63 2whf h THR 198 N 0.24 1.20 -0.29 -1.55 1.35 -1.31 0.11 112.91 112.65 2whf h THR 198 Ca 0.03 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2whf h THR 198 Cb 0.65 -0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.00 2whf h THR 198 CO 0.05 0.21 0.18 1.23 -0.25 0.00 0.00 175.52 176.94 2whf h GLY 199 N 1.15 0.42 1.06 5.82 0.00 -1.08 -2.76 103.07 107.68 2whf h GLY 199 Ca 0.33 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 2whf h GLY 199 CO -0.08 0.16 0.38 -2.00 0.00 0.00 0.00 176.54 175.00 2whf h LEU 200 N 0.38 1.10 -0.10 3.11 5.85 -0.72 -0.52 115.31 124.41 2whf h LEU 200 Ca 0.11 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2whf h LEU 200 Cb -0.01 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.73 2whf h LEU 200 CO -0.02 0.94 0.06 0.40 -0.34 0.00 0.00 178.44 179.48 2whf h ILE 201 N 1.19 1.03 -0.65 4.05 2.04 -0.79 -0.25 117.51 124.14 2whf h ILE 201 Ca 0.28 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 66.12 2whf h ILE 201 Cb 0.14 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 2whf h ILE 201 CO -0.03 0.03 0.38 -0.08 0.00 0.00 0.00 178.15 178.44 2whf h GLU 202 N 0.13 0.69 -0.82 2.37 4.57 -1.17 -2.01 114.58 118.34 2whf h GLU 202 Ca 0.04 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2whf h GLU 202 Cb -0.01 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.39 2whf h GLU 202 CO -0.01 0.46 0.48 -0.09 -1.18 0.00 0.00 179.01 178.67 2whf h ARG 203 N 0.71 1.13 0.00 1.92 2.43 -0.54 -2.26 114.38 117.77 2whf h ARG 203 Ca 0.28 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2whf h ARG 203 Cb 0.13 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2whf h ARG 203 CO -0.15 0.81 0.00 0.54 -1.51 0.00 0.00 179.97 179.65 2whf n ARG 204 N -4.43 0.02 0.22 0.20 5.12 -0.15 -1.60 116.66 116.03 2whf n ARG 204 Ca 0.08 0.32 0.05 0.00 -1.93 0.00 0.00 57.85 56.38 2whf n ARG 204 Cb 0.07 -1.50 0.49 0.00 -1.16 0.00 0.00 32.46 30.36 2whf n ARG 204 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2whf h ARG 205 N 0.00 0.00 0.00 5.56 3.08 -1.24 -3.21 114.38 118.57 2whf h ARG 205 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2whf h ARG 205 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2whf h ARG 205 CO 0.00 0.23 -0.43 0.25 -1.07 0.00 0.00 179.97 178.96 2whf n THR 206 N -4.14 0.00 -3.09 2.04 -2.24 -0.92 -4.79 114.28 101.14 2whf n THR 206 Ca -0.02 -0.23 -0.23 0.00 -2.27 0.00 0.00 64.05 61.30 2whf n THR 206 Cb 0.30 0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 69.22 2whf n THR 206 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2whf n GLU 207 N -1.10 2.01 -2.27 -0.78 1.02 -0.63 -5.11 120.64 113.78 2whf n GLU 207 Ca 0.00 -4.07 -0.38 0.00 -0.02 0.00 0.00 57.16 52.68 2whf n GLU 207 Cb 0.00 -1.94 -0.02 0.00 -0.02 0.00 0.00 31.44 29.46 2whf n GLU 207 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2whf s PRO 208 N -2.83 4.07 0.00 3.49 0.04 -1.21 -4.52 135.00 134.04 2whf s PRO 208 Ca 0.44 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2whf s PRO 208 Cb 0.30 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 32.14 2whf s PRO 208 CO -0.10 -0.32 0.00 0.00 0.04 0.00 0.00 177.00 176.62 2whf n ALA 209 N 0.12 0.00 -0.18 8.56 0.00 -1.26 -5.05 120.51 122.70 2whf n ALA 209 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2whf n ALA 209 Cb 0.46 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.20 2whf n ALA 209 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2whf n ASP 210 N 0.00 3.81 -4.71 0.00 8.00 -1.26 -4.46 116.55 117.93 2whf n ASP 210 Ca 0.00 -2.00 -0.28 0.00 0.71 0.00 0.00 54.79 53.22 2whf n ASP 210 Cb 0.00 -0.42 0.11 0.00 -0.02 0.00 0.00 41.12 40.79 2whf n ASP 210 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2whf s ASP 211 N -1.13 4.25 0.24 -2.24 -4.77 -1.26 -4.56 116.67 107.19 2whf s ASP 211 Ca 0.46 0.50 -0.05 0.00 -3.30 0.00 0.00 52.55 50.16 2whf s ASP 211 Cb 0.25 -0.92 0.26 0.00 -1.09 0.00 0.00 42.92 41.42 2whf s ASP 211 CO 0.33 -2.02 1.78 0.00 0.70 0.00 0.00 175.17 175.96 2whf h ALA 212 N -1.04 1.09 -0.01 2.11 0.00 -1.73 0.20 119.26 119.88 2whf h ALA 212 Ca -0.45 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 2whf h ALA 212 Cb 1.30 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2whf h ALA 212 CO 0.56 0.61 -0.02 0.82 0.00 0.00 0.00 179.25 181.23 2whf h ILE 213 N 0.96 1.42 -0.54 0.00 2.04 -1.81 -1.34 117.51 118.24 2whf h ILE 213 Ca 0.21 -1.26 0.11 0.00 1.00 0.00 0.00 64.86 64.92 2whf h ILE 213 Cb 0.31 2.24 -0.09 0.00 -0.74 0.00 0.00 36.82 38.54 2whf h ILE 213 CO -0.00 0.33 0.03 0.28 0.00 0.00 0.00 178.15 178.79 2whf h SER 214 N -0.48 -0.16 -0.78 1.72 0.02 -1.82 -0.05 113.55 111.99 2whf h SER 214 Ca 0.00 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2whf h SER 214 Cb 0.55 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 2whf h SER 214 CO 0.00 -0.06 0.41 0.45 -1.14 0.00 0.00 176.83 176.50 2whf h HIS 215 N 0.15 1.09 -0.58 3.45 3.86 -0.49 0.47 115.15 123.10 2whf h HIS 215 Ca 0.28 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 2whf h HIS 215 Cb 0.42 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 2whf h HIS 215 CO -0.30 0.77 0.32 -0.07 0.86 0.00 0.00 177.93 179.51 2whf h LEU 216 N 1.09 0.72 -0.17 2.43 3.38 -0.36 -1.23 115.31 121.17 2whf h LEU 216 Ca 0.27 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2whf h LEU 216 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2whf h LEU 216 CO -0.04 0.60 -0.00 0.58 0.09 0.00 0.00 178.44 179.67 2whf h VAL 217 N 0.78 1.25 -0.14 1.22 2.07 -0.34 -1.05 116.25 120.05 2whf h VAL 217 Ca 0.20 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.91 2whf h VAL 217 Cb 0.04 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2whf h VAL 217 CO -0.03 0.25 0.12 0.00 0.02 0.00 0.00 177.57 177.93 2whf h ALA 218 N 0.77 1.95 -0.01 1.67 0.00 0.10 0.26 119.26 123.99 2whf h ALA 218 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2whf h ALA 218 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2whf h ALA 218 CO 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 179.25 179.05 2whf n ALA 219 N -2.46 2.64 -0.10 0.00 0.00 -0.48 -4.91 120.51 115.20 2whf n ALA 219 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2whf n ALA 219 Cb 0.24 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2whf n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2whf n GLY 220 N 1.13 0.68 3.69 0.00 0.00 0.91 -5.04 105.19 106.56 2whf n GLY 220 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2whf n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2whf s VAL 221 N -2.13 3.38 0.00 1.61 1.01 -0.42 -1.66 120.40 122.19 2whf s VAL 221 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.80 2whf s VAL 221 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2whf s VAL 221 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2whf n GLY 222 N 3.77 2.63 3.72 4.51 0.00 -1.26 -4.48 105.19 114.09 2whf n GLY 222 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2whf n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whf s ALA 223 N -2.12 2.09 -0.99 4.61 0.00 -0.66 -2.83 121.76 121.85 2whf s ALA 223 Ca 0.00 0.82 -0.14 0.00 0.00 0.00 0.00 51.96 52.64 2whf s ALA 223 Cb 0.00 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.67 2whf s ALA 223 CO 0.00 -1.91 0.69 -0.40 0.00 0.00 0.00 175.76 174.15 2whf n ASP 224 N -2.85 -5.28 -1.26 0.00 5.68 -1.26 -2.24 116.55 109.35 2whf n ASP 224 Ca 0.13 -0.93 -0.16 0.00 -0.50 0.00 0.00 54.79 53.33 2whf n ASP 224 Cb 0.51 -2.71 -0.07 0.00 -1.14 0.00 0.00 41.12 37.70 2whf n ASP 224 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2whf n GLY 225 N -1.77 1.60 3.56 6.12 0.00 -1.26 -4.89 105.19 108.55 2whf n GLY 225 Ca -0.16 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2whf n GLY 225 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2whf s ASP 226 N -2.67 6.73 0.31 1.61 2.15 -0.95 -4.79 116.67 119.07 2whf s ASP 226 Ca 0.00 -2.13 0.06 0.00 0.43 0.00 0.00 52.55 50.92 2whf s ASP 226 Cb 0.00 -2.56 0.52 0.00 -0.30 0.00 0.00 42.92 40.58 2whf s ASP 226 CO 0.00 -1.26 1.75 0.71 -0.17 0.00 0.00 175.17 176.21 2whf h THR 227 N 5.94 1.27 -0.98 1.71 1.35 -1.90 -2.70 112.91 117.60 2whf h THR 227 Ca 0.35 -1.31 0.02 0.00 -0.55 0.00 0.00 66.41 64.92 2whf h THR 227 Cb 0.92 1.51 -0.05 0.00 -1.73 0.00 0.00 68.15 68.80 2whf h THR 227 CO 1.42 0.40 0.65 0.00 -0.25 0.00 0.00 175.52 177.74 2whf h ALA 228 N 1.42 1.27 -0.35 6.62 0.00 -1.94 -0.67 119.26 125.61 2whf h ALA 228 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2whf h ALA 228 Cb 0.69 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2whf h ALA 228 CO 0.05 0.59 0.20 0.78 0.00 0.00 0.00 179.25 180.87 2whf h GLY 229 N 1.29 0.53 0.98 0.00 0.00 -1.83 -1.68 103.07 102.37 2whf h GLY 229 Ca 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2whf h GLY 229 CO -0.10 0.23 0.28 -0.84 0.00 0.00 0.00 176.54 176.11 2whf h THR 230 N 0.45 1.16 -0.97 4.70 2.02 -1.19 -2.56 112.91 116.52 2whf h THR 230 Ca 0.12 -0.39 0.08 0.00 0.77 0.00 0.00 66.41 66.99 2whf h THR 230 Cb 0.05 0.54 -0.07 0.00 -1.74 0.00 0.00 68.15 66.94 2whf h THR 230 CO -0.02 0.17 0.62 -0.07 0.37 0.00 0.00 175.52 176.59 2whf h LEU 231 N 0.64 0.97 -1.13 2.58 3.38 -0.93 -1.51 115.31 119.31 2whf h LEU 231 Ca 0.17 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 2whf h LEU 231 Cb 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2whf h LEU 231 CO -0.03 0.59 -0.12 0.77 0.09 0.00 0.00 178.44 179.75 2whf h SER 232 N 1.09 0.45 -0.30 -0.43 4.64 -1.02 0.23 113.55 118.21 2whf h SER 232 Ca 0.44 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.58 2whf h SER 232 Cb 0.25 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2whf h SER 232 CO -0.20 0.61 -0.06 0.40 -0.87 0.00 0.00 176.83 176.71 2whf h ILE 233 N 0.44 1.28 -0.79 0.95 2.04 -0.91 -2.08 117.51 118.43 2whf h ILE 233 Ca 0.08 -1.08 0.05 0.00 1.00 0.00 0.00 64.86 64.92 2whf h ILE 233 Cb 0.47 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 2whf h ILE 233 CO 0.03 0.35 0.49 -0.07 0.00 0.00 0.00 178.15 178.94 2whf h LEU 234 N 0.34 0.78 -1.00 1.44 3.38 -0.90 -1.51 115.31 117.84 2whf h LEU 234 Ca 0.08 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2whf h LEU 234 Cb 0.53 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2whf h LEU 234 CO 0.03 0.52 0.07 0.00 0.09 0.00 0.00 178.44 179.14 2whf h ALA 235 N 1.36 1.18 -0.67 1.53 0.00 -0.88 -2.17 119.26 119.61 2whf h ALA 235 Ca 0.34 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2whf h ALA 235 Cb 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2whf h ALA 235 CO -0.15 0.55 0.24 0.35 0.00 0.00 0.00 179.25 180.23 2whf h PHE 236 N 0.75 1.03 -0.75 0.00 3.57 -0.66 0.19 116.94 121.07 2whf h PHE 236 Ca 0.16 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2whf h PHE 236 Cb 0.36 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 2whf h PHE 236 CO 0.02 0.80 0.40 1.15 -2.23 0.00 0.00 178.31 178.45 2whf h THR 237 N 0.98 1.23 -0.41 4.41 2.02 -0.67 0.15 112.91 120.62 2whf h THR 237 Ca 0.22 -0.58 -0.15 0.00 0.77 0.00 0.00 66.41 66.67 2whf h THR 237 Cb 0.24 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2whf h THR 237 CO -0.01 0.26 -0.34 0.15 0.37 0.00 0.00 175.52 175.94 2whf h PHE 238 N 1.05 1.11 -0.91 3.16 3.04 -0.98 -1.22 116.94 122.19 2whf h PHE 238 Ca 0.26 -0.31 0.05 0.00 3.98 0.00 0.00 57.97 61.95 2whf h PHE 238 Cb 0.05 -0.24 -0.06 0.00 2.56 0.00 0.00 35.95 38.26 2whf h PHE 238 CO 0.01 1.14 0.58 1.15 -2.02 0.00 0.00 178.31 179.17 2whf h THR 239 N 0.78 1.09 -0.27 4.41 2.02 -0.47 0.51 112.91 120.98 2whf h THR 239 Ca 0.07 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 2whf h THR 239 Cb 0.93 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2whf h THR 239 CO 0.09 0.20 -0.14 0.24 0.37 0.00 0.00 175.52 176.28 2whf h MET 240 N 1.08 0.57 -0.41 6.66 2.86 -0.66 -0.65 114.93 124.38 2whf h MET 240 Ca 0.39 -0.25 -0.09 0.00 -2.06 0.00 0.00 59.70 57.68 2whf h MET 240 Cb 0.11 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2whf h MET 240 CO -0.16 0.82 -0.11 0.28 1.06 0.00 0.00 176.91 178.81 2whf h VAL 241 N 0.31 1.27 0.00 -2.22 2.07 -1.00 -0.81 116.25 115.88 2whf h VAL 241 Ca 0.06 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 2whf h VAL 241 Cb 0.65 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2whf h VAL 241 CO 0.04 0.41 -0.05 0.71 0.02 0.00 0.00 177.57 178.70 2whf h THR 242 N 0.62 0.09 0.00 2.57 1.35 -0.87 -3.33 112.91 113.34 2whf h THR 242 Ca 0.10 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 2whf h THR 242 Cb 0.64 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2whf h THR 242 CO 0.04 0.05 -1.14 0.61 -0.25 0.00 0.00 175.52 174.83 2whf n GLY 243 N 0.95 -0.44 0.82 5.82 0.00 -0.26 -4.72 105.19 107.36 2whf n GLY 243 Ca 0.03 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.80 2whf n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whf n GLY 244 N 1.53 0.88 0.57 -0.02 0.00 -0.31 -4.45 105.19 103.38 2whf n GLY 244 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 2whf n GLY 244 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2whf n ASN 245 N 1.09 0.30 0.02 1.61 3.02 -1.26 -4.46 115.26 115.58 2whf n ASN 245 Ca 0.13 0.04 0.04 0.00 -0.03 0.00 0.00 54.58 54.76 2whf n ASN 245 Cb 0.49 -0.28 0.43 0.00 -0.61 0.00 0.00 39.78 39.81 2whf n ASN 245 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2whf h ASP 246 N -0.09 0.44 0.11 6.41 2.03 -1.84 -1.27 116.42 122.21 2whf h ASP 246 Ca 0.00 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.28 2whf h ASP 246 Cb 0.09 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 2whf h ASP 246 CO 0.00 0.33 -0.05 0.71 -1.03 0.00 0.00 179.24 179.20 2whf h THR 247 N 0.52 0.92 -0.85 1.15 1.35 -1.86 0.41 112.91 114.55 2whf h THR 247 Ca 0.14 -0.10 -0.00 0.00 -0.55 0.00 0.00 66.41 65.90 2whf h THR 247 Cb -0.05 0.98 -0.04 0.00 -1.73 0.00 0.00 68.15 67.32 2whf h THR 247 CO -0.03 0.02 0.53 0.58 -0.25 0.00 0.00 175.52 176.37 2whf h VAL 248 N -0.19 1.23 -0.29 6.82 2.07 -1.64 -0.42 116.25 123.84 2whf h VAL 248 Ca -0.02 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 2whf h VAL 248 Cb 0.15 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 2whf h VAL 248 CO 0.02 0.24 0.00 0.74 0.02 0.00 0.00 177.57 178.60 2whf h THR 249 N 1.16 1.17 -0.36 2.57 2.02 -1.03 0.61 112.91 119.05 2whf h THR 249 Ca 0.31 -0.67 -0.13 0.00 0.77 0.00 0.00 66.41 66.69 2whf h THR 249 Cb -0.07 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2whf h THR 249 CO -0.06 0.23 -0.29 1.23 0.37 0.00 0.00 175.52 177.00 2whf h GLY 250 N 0.74 0.90 0.92 2.16 0.00 0.25 0.17 103.07 108.21 2whf h GLY 250 Ca 0.09 -0.89 -0.00 0.00 0.00 0.00 0.00 47.33 46.53 2whf h GLY 250 CO 0.01 0.80 0.01 1.98 0.00 0.00 0.00 176.54 179.34 2whf h MET 251 N 0.62 0.03 0.21 4.80 -1.53 -0.55 0.37 114.93 118.88 2whf h MET 251 Ca 0.07 -0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.31 2whf h MET 251 Cb 0.87 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.91 2whf h MET 251 CO 0.08 0.11 -0.10 -0.07 0.14 0.00 0.00 176.91 177.06 2whf h LEU 252 N -0.05 -0.24 -0.88 3.39 3.38 -0.85 -2.55 115.31 117.51 2whf h LEU 252 Ca 0.01 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 2whf h LEU 252 Cb 0.09 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2whf h LEU 252 CO -0.00 0.14 -0.14 1.23 0.09 0.00 0.00 178.44 179.76 2whf h GLY 253 N -0.66 0.73 2.00 0.83 0.00 -0.71 -2.90 103.07 102.36 2whf h GLY 253 Ca -0.03 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.66 2whf h GLY 253 CO 0.05 0.51 -0.43 -1.33 0.00 0.00 0.00 176.54 175.34 2whf h GLY 254 N 0.97 0.00 2.00 4.60 0.00 -0.31 -2.59 103.07 107.75 2whf h GLY 254 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 2whf h GLY 254 CO 0.04 0.00 -0.30 1.76 0.00 0.00 0.00 176.54 178.04 2whf h SER 255 N 0.00 0.00 -0.14 0.19 0.02 -1.24 -3.33 113.55 109.05 2whf h SER 255 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2whf h SER 255 Cb 0.97 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 2whf h SER 255 CO 0.06 0.30 0.09 0.24 -1.14 0.00 0.00 176.83 176.37 2whf h MET 256 N 0.00 0.18 -0.15 3.45 2.86 -1.46 -1.42 114.93 118.40 2whf h MET 256 Ca -0.00 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 2whf h MET 256 Cb 0.74 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 2whf h MET 256 CO 0.04 0.12 -0.36 -1.00 1.06 0.00 0.00 176.91 176.76 2whf h PRO 257 N 0.18 0.31 -0.45 -0.22 0.13 -1.74 -0.17 132.00 130.04 2whf h PRO 257 Ca 0.05 -0.14 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2whf h PRO 257 Cb -0.01 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.09 2whf h PRO 257 CO -0.02 0.64 0.27 -0.07 -0.23 0.00 0.00 178.00 178.59 2whf h LEU 258 N 0.27 0.55 -0.33 1.56 3.38 -1.58 -1.78 115.31 117.38 2whf h LEU 258 Ca 0.03 -0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 2whf h LEU 258 Cb 0.77 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2whf h LEU 258 CO 0.06 0.46 -0.72 -0.07 0.09 0.00 0.00 178.44 178.25 2whf h LEU 259 N 0.60 0.67 -0.94 1.67 3.38 -1.08 -3.23 115.31 116.37 2whf h LEU 259 Ca 0.16 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 2whf h LEU 259 Cb 0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2whf h LEU 259 CO -0.03 1.19 0.34 -0.74 0.09 0.00 0.00 178.44 179.28 2whf h HIS 260 N 0.39 1.10 -0.00 1.13 2.76 -0.70 -2.28 115.15 117.55 2whf h HIS 260 Ca -0.03 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 2whf h HIS 260 Cb 1.31 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.94 2whf h HIS 260 CO 0.06 0.82 -0.01 2.89 -1.30 0.00 0.00 177.93 180.39 2whf n ARG 261 N -4.30 1.01 -3.25 5.26 1.85 -0.70 -4.28 116.66 112.24 2whf n ARG 261 Ca 0.07 -0.12 -0.25 0.00 -1.00 0.00 0.00 57.85 56.55 2whf n ARG 261 Cb 0.16 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.00 2whf n ARG 261 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2whf n ARG 262 N -0.89 1.46 0.08 2.89 5.12 -0.86 -4.93 116.66 119.54 2whf n ARG 262 Ca 0.22 -3.80 0.19 0.00 -1.93 0.00 0.00 57.85 52.53 2whf n ARG 262 Cb 0.16 -1.65 0.73 0.00 -1.16 0.00 0.00 32.46 30.54 2whf n ARG 262 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2whf h PRO 263 N 3.90 0.00 -0.56 5.56 0.10 -1.75 -0.19 132.00 139.07 2whf h PRO 263 Ca 0.12 0.00 -0.05 0.00 0.10 0.00 0.00 66.00 66.17 2whf h PRO 263 Cb 0.80 0.00 -0.03 0.00 0.10 0.00 0.00 31.00 31.87 2whf h PRO 263 CO 0.61 0.00 0.16 0.38 0.10 0.00 0.00 178.00 179.25 2whf h ASP 264 N 0.00 0.78 0.05 -2.05 2.03 -1.93 0.43 116.42 115.73 2whf h ASP 264 Ca 0.19 -0.13 -0.27 0.00 -0.73 0.00 0.00 57.03 56.09 2whf h ASP 264 Cb 0.84 -0.20 0.02 0.00 -0.83 0.00 0.00 39.33 39.16 2whf h ASP 264 CO -0.00 0.74 -1.09 1.56 -1.03 0.00 0.00 179.24 179.42 2whf h GLN 265 N 0.81 0.65 -0.56 4.15 1.08 -1.44 -2.39 115.11 117.41 2whf h GLN 265 Ca 0.18 -0.76 -0.02 0.00 -1.45 0.00 0.00 58.65 56.60 2whf h GLN 265 Cb 0.26 0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 2whf h GLN 265 CO -0.01 1.33 0.27 0.00 -0.95 0.00 0.00 178.83 179.48 2whf h ARG 266 N 0.30 0.78 -0.82 1.46 3.08 -1.12 -2.62 114.38 115.44 2whf h ARG 266 Ca -0.15 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.81 2whf h ARG 266 Cb 1.75 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.61 2whf h ARG 266 CO 0.21 0.60 0.53 -0.09 -1.07 0.00 0.00 179.97 180.15 2whf h ARG 267 N 0.79 1.10 -0.64 0.04 9.65 -0.77 0.12 114.38 124.66 2whf h ARG 267 Ca 0.20 -0.08 0.09 0.00 -1.10 0.00 0.00 59.98 59.09 2whf h ARG 267 Cb 0.07 -0.24 -0.07 0.00 -1.39 0.00 0.00 29.97 28.34 2whf h ARG 267 CO -0.03 0.75 0.28 1.25 2.80 0.00 0.00 179.97 185.02 2whf h LEU 268 N 1.12 0.32 0.00 3.80 5.85 -1.06 -1.10 115.31 124.24 2whf h LEU 268 Ca 0.30 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.99 2whf h LEU 268 Cb -0.09 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2whf h LEU 268 CO -0.06 0.19 -0.61 -0.07 -0.34 0.00 0.00 178.44 177.55 2whf h LEU 269 N 0.49 0.00 -0.46 2.25 3.38 -1.23 -1.82 115.31 117.91 2whf h LEU 269 Ca 0.32 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.12 2whf h LEU 269 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2whf h LEU 269 CO -0.28 0.43 -0.69 -0.07 0.09 0.00 0.00 178.44 177.91 2whf h LEU 270 N 0.00 0.44 0.00 1.67 3.38 -0.28 -2.47 115.31 118.05 2whf h LEU 270 Ca -0.03 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 2whf h LEU 270 Cb 1.35 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2whf h LEU 270 CO 0.05 1.00 -0.66 0.44 0.09 0.00 0.00 178.44 179.36 2whf h ASP 271 N 0.26 0.00 -2.11 -0.43 3.32 -1.24 -3.41 116.42 112.81 2whf h ASP 271 Ca -0.02 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.52 2whf h ASP 271 Cb 1.25 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.46 2whf h ASP 271 CO 0.12 0.22 -0.88 -0.62 -1.72 0.00 0.00 179.24 176.35 2whf s ASP 272 N -5.94 0.94 0.28 6.45 2.15 -0.69 -4.98 116.67 114.88 2whf s ASP 272 Ca 0.02 -2.75 0.21 0.00 0.43 0.00 0.00 52.55 50.47 2whf s ASP 272 Cb 0.08 0.02 1.03 0.00 -0.30 0.00 0.00 42.92 43.75 2whf s ASP 272 CO 0.75 -0.16 1.64 -2.65 -0.17 0.00 0.00 175.17 174.58 2whf n PRO 273 N 2.95 0.15 0.09 4.34 -0.02 -0.94 -0.86 135.00 140.71 2whf n PRO 273 Ca 0.26 0.54 0.11 0.00 -2.02 0.00 0.00 63.50 62.40 2whf n PRO 273 Cb 0.49 -1.90 0.45 0.00 -0.02 0.00 0.00 33.50 32.52 2whf n PRO 273 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2whf n GLU 274 N -2.20 0.15 0.00 -0.52 4.71 -1.26 -1.86 120.64 119.66 2whf n GLU 274 Ca 0.00 0.31 0.16 0.00 -0.01 0.00 0.00 57.16 57.62 2whf n GLU 274 Cb 0.11 -1.75 0.87 0.00 -1.01 0.00 0.00 31.44 29.65 2whf n GLU 274 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2whf n GLY 275 N 0.37 -1.04 0.19 0.62 0.00 -0.04 -4.19 105.19 101.10 2whf n GLY 275 Ca 0.03 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 2whf n GLY 275 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2whf h ILE 276 N 0.11 1.17 -0.58 -0.61 2.04 -1.56 -1.31 117.51 116.78 2whf h ILE 276 Ca 0.00 -0.48 0.06 0.00 1.00 0.00 0.00 64.86 65.44 2whf h ILE 276 Cb 0.11 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 2whf h ILE 276 CO 0.00 0.19 0.30 -0.65 0.00 0.00 0.00 178.15 177.98 2whf h PRO 277 N 0.55 0.55 -0.43 2.37 0.11 -1.82 0.57 132.00 133.88 2whf h PRO 277 Ca 0.15 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 2whf h PRO 277 Cb 0.10 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 2whf h PRO 277 CO -0.02 0.36 0.09 -0.44 -0.21 0.00 0.00 178.00 177.79 2whf h ASP 278 N 0.56 0.60 -0.47 -2.05 3.32 -1.79 -2.64 116.42 113.95 2whf h ASP 278 Ca 0.26 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2whf h ASP 278 Cb 0.18 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2whf h ASP 278 CO -0.18 0.61 0.11 0.00 -1.72 0.00 0.00 179.24 178.06 2whf h ALA 279 N 1.48 1.20 -0.90 3.45 0.00 0.01 -2.30 119.26 122.20 2whf h ALA 279 Ca 0.14 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2whf h ALA 279 Cb 0.26 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2whf h ALA 279 CO -0.00 0.54 0.57 0.28 0.00 0.00 0.00 179.25 180.64 2whf h VAL 280 N 0.79 1.10 -0.81 0.00 2.07 -0.58 0.36 116.25 119.17 2whf h VAL 280 Ca 0.17 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 2whf h VAL 280 Cb 0.31 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 2whf h VAL 280 CO 0.00 0.20 0.34 -0.33 0.02 0.00 0.00 177.57 177.80 2whf h GLU 281 N 1.07 1.19 -0.46 1.57 4.39 -1.26 0.36 114.58 121.45 2whf h GLU 281 Ca 0.37 -0.20 -0.14 0.00 0.34 0.00 0.00 59.36 59.73 2whf h GLU 281 Cb 0.09 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2whf h GLU 281 CO -0.15 0.95 -0.26 1.49 -1.16 0.00 0.00 179.01 179.88 2whf h GLU 282 N 1.17 0.97 -0.74 2.33 4.57 -1.08 -1.13 114.58 120.68 2whf h GLU 282 Ca 0.27 -0.44 -0.05 0.00 -1.18 0.00 0.00 59.36 57.96 2whf h GLU 282 Cb 0.19 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 2whf h GLU 282 CO -0.03 1.11 0.25 -0.07 -1.18 0.00 0.00 179.01 179.10 2whf h LEU 283 N 0.83 1.05 -1.08 1.64 3.38 -0.63 -1.59 115.31 118.91 2whf h LEU 283 Ca 0.10 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2whf h LEU 283 Cb 0.84 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2whf h LEU 283 CO 0.07 0.96 0.16 -0.07 0.09 0.00 0.00 178.44 179.66 2whf h LEU 284 N 1.09 0.76 -0.11 1.67 3.38 -0.68 -0.83 115.31 120.59 2whf h LEU 284 Ca 0.24 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2whf h LEU 284 Cb 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2whf h LEU 284 CO -0.01 0.72 0.06 -0.09 0.09 0.00 0.00 178.44 179.21 2whf h ARG 285 N 0.79 0.16 0.04 1.13 2.43 -0.70 -1.12 114.38 117.12 2whf h ARG 285 Ca 0.18 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 59.10 2whf h ARG 285 Cb 0.25 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2whf h ARG 285 CO -0.01 0.22 -1.06 -0.07 -1.51 0.00 0.00 179.97 177.55 2whf h LEU 286 N 0.06 0.15 0.06 3.80 3.38 -1.14 -3.29 115.31 118.33 2whf h LEU 286 Ca 0.04 -0.15 -0.28 0.00 0.09 0.00 0.00 57.88 57.58 2whf h LEU 286 Cb 0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2whf h LEU 286 CO -0.01 1.10 -1.43 0.71 0.09 0.00 0.00 178.44 178.91 2whf h THR 287 N 0.03 1.24 -6.47 0.22 1.35 -1.21 -3.48 112.91 104.58 2whf h THR 287 Ca -0.05 -2.94 -0.29 0.00 -0.55 0.00 0.00 66.41 62.58 2whf h THR 287 Cb 1.80 2.72 -0.00 0.00 -1.73 0.00 0.00 68.15 70.93 2whf h THR 287 CO 0.15 0.80 -0.58 -1.20 -0.25 0.00 0.00 175.52 174.44 2whf n SER 288 N -3.35 -2.40 -0.35 5.36 7.64 -0.42 -4.76 113.62 115.34 2whf n SER 288 Ca -0.12 -0.60 0.12 0.00 1.01 0.00 0.00 58.87 59.27 2whf n SER 288 Cb 1.02 -0.85 0.31 0.00 -1.01 0.00 0.00 64.21 63.68 2whf n SER 288 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2whf h PRO 289 N 0.18 0.79 -5.93 1.43 0.11 -1.83 -2.42 132.00 124.33 2whf h PRO 289 Ca -0.36 -0.05 -0.59 0.00 0.11 0.00 0.00 66.00 65.11 2whf h PRO 289 Cb 0.75 -0.18 -0.11 0.00 0.11 0.00 0.00 31.00 31.58 2whf h PRO 289 CO 0.23 0.52 0.93 0.08 -0.21 0.00 0.00 178.00 179.55 2whf s VAL 290 N -5.85 4.01 0.09 3.15 1.01 -1.26 -0.61 120.40 120.94 2whf s VAL 290 Ca -0.11 -0.13 0.12 0.00 0.00 0.00 0.00 61.98 61.86 2whf s VAL 290 Cb 0.24 -4.85 -0.03 0.00 0.00 0.00 0.00 36.38 31.74 2whf s VAL 290 CO 0.80 -1.71 1.48 1.56 0.00 0.00 0.00 175.10 177.23 2whf h GLN 291 N 9.77 0.00 -2.16 2.72 1.08 -0.45 -3.37 115.11 122.70 2whf h GLN 291 Ca -0.19 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.00 2whf h GLN 291 Cb 1.05 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.30 2whf h GLN 291 CO 1.25 0.67 0.29 0.20 -0.95 0.00 0.00 178.83 180.29 2whf s GLY 292 N -4.53 -0.52 0.05 3.46 0.00 -1.13 -0.51 107.32 104.14 2whf s GLY 292 Ca 0.01 1.24 -0.08 0.00 0.00 0.00 0.00 44.72 45.89 2whf s GLY 292 CO 0.76 0.74 0.16 1.08 0.00 0.00 0.00 173.10 175.84 2whf s LEU 293 N -1.64 1.52 0.28 0.66 1.43 -1.06 -4.70 118.68 115.16 2whf s LEU 293 Ca -0.05 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 2whf s LEU 293 Cb -0.00 0.85 -0.02 0.00 0.03 0.00 0.00 46.19 47.05 2whf s LEU 293 CO 0.02 -0.57 0.40 0.00 0.23 0.00 0.00 176.35 176.43 2whf s ALA 294 N -2.77 4.03 0.29 4.21 0.00 0.12 -0.77 121.76 126.87 2whf s ALA 294 Ca -0.04 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.65 2whf s ALA 294 Cb -0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 2whf s ALA 294 CO -0.05 0.14 0.09 1.03 0.00 0.00 0.00 175.76 176.96 2whf s ARG 295 N -4.06 1.54 -0.12 0.00 1.81 0.10 -4.47 118.95 113.75 2whf s ARG 295 Ca 0.38 -1.85 0.02 0.00 -1.72 0.00 0.00 55.73 52.56 2whf s ARG 295 Cb -0.09 -0.51 -0.00 0.00 -0.45 0.00 0.00 34.95 33.89 2whf s ARG 295 CO 0.30 -0.27 -0.19 0.99 -0.68 0.00 0.00 175.30 175.45 2whf s THR 296 N -3.54 2.48 0.25 0.02 2.01 0.23 -0.48 115.64 116.62 2whf s THR 296 Ca 0.37 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 2whf s THR 296 Cb 0.08 -2.00 -0.10 0.00 0.01 0.00 0.00 72.50 70.49 2whf s THR 296 CO 0.15 0.54 1.34 0.42 -0.69 0.00 0.00 174.62 176.37 2whf s THR 297 N 0.45 2.93 -1.86 -0.82 -4.23 -0.52 -0.84 115.64 110.76 2whf s THR 297 Ca -0.13 0.82 0.24 0.00 -1.18 0.00 0.00 61.69 61.44 2whf s THR 297 Cb -0.17 -3.52 0.09 0.00 1.34 0.00 0.00 72.50 70.24 2whf s THR 297 CO 0.06 0.15 1.27 0.35 -0.54 0.00 0.00 174.62 175.91 2whf n THR 298 N 2.01 0.00 -3.46 3.99 -2.24 0.16 -1.27 114.28 113.47 2whf n THR 298 Ca 0.04 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 2whf n THR 298 Cb 0.42 0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 2whf n THR 298 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2whf s ARG 299 N -2.52 1.10 0.26 -0.78 1.70 -1.26 -4.85 118.95 112.60 2whf s ARG 299 Ca 0.20 -0.36 -0.31 0.00 -0.47 0.00 0.00 55.73 54.79 2whf s ARG 299 Cb 0.18 0.51 -0.12 0.00 -0.57 0.00 0.00 34.95 34.95 2whf s ARG 299 CO 0.57 -0.47 1.64 -0.25 -1.08 0.00 0.00 175.30 175.71 2whf n ASP 300 N -0.24 3.89 -4.00 -2.89 8.00 -1.26 -3.70 116.55 116.35 2whf n ASP 300 Ca -0.14 1.12 -0.20 0.00 0.71 0.00 0.00 54.79 56.28 2whf n ASP 300 Cb 0.63 -1.58 -0.15 0.00 -0.02 0.00 0.00 41.12 40.00 2whf n ASP 300 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2whf s VAL 301 N 0.41 0.74 -0.15 2.53 0.11 -0.49 -4.89 120.40 118.65 2whf s VAL 301 Ca 0.68 -0.35 -0.02 0.00 -2.93 0.00 0.00 61.98 59.35 2whf s VAL 301 Cb -0.50 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 33.67 2whf s VAL 301 CO 0.43 0.23 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.47 2whf s THR 302 N 0.11 3.57 -0.23 5.04 2.01 -1.26 0.05 115.64 124.94 2whf s THR 302 Ca -0.02 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.51 2whf s THR 302 Cb -0.07 -2.55 0.06 0.00 0.01 0.00 0.00 72.50 69.95 2whf s THR 302 CO 0.00 0.50 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.77 2whf s ILE 303 N 0.38 1.38 0.00 1.82 1.01 -0.06 -5.00 121.20 120.74 2whf s ILE 303 Ca -0.06 -1.13 0.00 0.00 0.00 0.00 0.00 60.65 59.46 2whf s ILE 303 Cb -0.15 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.63 2whf s ILE 303 CO 0.04 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.47 2whf n GLY 304 N 4.73 3.54 0.69 6.18 0.00 -1.26 -2.44 105.19 116.62 2whf n GLY 304 Ca -0.11 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.84 2whf n GLY 304 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2whf n ASP 305 N 4.55 1.99 -4.18 1.61 3.85 -1.26 -4.82 116.55 118.28 2whf n ASP 305 Ca 0.00 -2.06 -0.29 0.00 -0.71 0.00 0.00 54.79 51.73 2whf n ASP 305 Cb 0.00 -0.27 -0.16 0.00 -1.35 0.00 0.00 41.12 39.33 2whf n ASP 305 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2whf s THR 306 N -1.58 1.75 -0.25 2.12 2.01 -1.02 -5.11 115.64 113.56 2whf s THR 306 Ca 0.23 -0.87 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 2whf s THR 306 Cb 0.13 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 2whf s THR 306 CO 0.14 0.49 0.11 -0.89 -0.69 0.00 0.00 174.62 173.78 2whf s THR 307 N 0.14 4.69 -0.16 -0.82 2.01 -1.26 -0.89 115.64 119.36 2whf s THR 307 Ca -0.09 -0.04 -0.19 0.00 0.31 0.00 0.00 61.69 61.67 2whf s THR 307 Cb -0.14 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 2whf s THR 307 CO 0.05 0.33 0.53 -0.63 -0.69 0.00 0.00 174.62 174.20 2whf s ILE 308 N 1.50 5.13 0.55 1.82 1.01 0.11 -4.93 121.20 126.38 2whf s ILE 308 Ca 0.06 1.01 -0.19 0.00 0.00 0.00 0.00 60.65 61.54 2whf s ILE 308 Cb -0.15 -3.86 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 2whf s ILE 308 CO 0.06 0.24 1.11 -2.84 0.00 0.00 0.00 174.94 173.50 2whf s PRO 309 N 1.19 3.38 0.32 2.79 0.02 -1.26 -1.40 135.00 140.03 2whf s PRO 309 Ca 0.26 1.52 -0.28 0.00 0.02 0.00 0.00 61.00 62.52 2whf s PRO 309 Cb -0.15 -2.02 -0.13 0.00 0.02 0.00 0.00 34.50 32.22 2whf s PRO 309 CO 0.11 -0.81 1.20 0.00 -0.33 0.00 0.00 177.00 177.16 2whf n ALA 310 N -1.40 0.79 -0.36 -1.55 0.00 -1.24 -3.37 120.51 113.38 2whf n ALA 310 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2whf n ALA 310 Cb 0.51 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2whf n ALA 310 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2whf n GLY 311 N 0.95 0.80 3.69 0.00 0.00 -0.40 -4.92 105.19 105.30 2whf n GLY 311 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2whf n GLY 311 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2whf s ARG 312 N -0.64 2.59 0.38 1.61 1.81 -1.22 -4.87 118.95 118.61 2whf s ARG 312 Ca 0.00 -0.80 -0.24 0.00 -1.72 0.00 0.00 55.73 52.97 2whf s ARG 312 Cb 0.00 -2.56 -0.10 0.00 -0.45 0.00 0.00 34.95 31.83 2whf s ARG 312 CO 0.00 0.55 0.96 1.03 -0.68 0.00 0.00 175.30 177.16 2whf s ARG 313 N -2.19 4.38 -0.08 3.54 1.81 -1.26 -1.43 118.95 123.71 2whf s ARG 313 Ca 0.25 1.27 0.01 0.00 -1.72 0.00 0.00 55.73 55.54 2whf s ARG 313 Cb -0.12 -2.51 0.02 0.00 -0.45 0.00 0.00 34.95 31.90 2whf s ARG 313 CO 0.17 0.09 -0.10 0.08 -0.68 0.00 0.00 175.30 174.86 2whf s VAL 314 N -1.86 1.09 -0.29 3.52 1.01 0.37 -1.08 120.40 123.17 2whf s VAL 314 Ca 0.56 -0.40 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 2whf s VAL 314 Cb -0.15 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2whf s VAL 314 CO 0.20 0.36 0.50 -0.22 0.00 0.00 0.00 175.10 175.93 2whf s LEU 315 N 1.08 4.14 -0.51 3.92 2.96 0.98 -0.72 118.68 130.54 2whf s LEU 315 Ca -0.07 0.31 -0.21 0.00 -0.22 0.00 0.00 54.13 53.94 2whf s LEU 315 Cb -0.14 -2.61 0.05 0.00 0.50 0.00 0.00 46.19 43.99 2whf s LEU 315 CO -0.01 -0.34 0.72 -0.76 -1.32 0.00 0.00 176.35 174.64 2whf s LEU 316 N 2.31 4.67 -1.25 -0.68 1.43 0.05 -0.77 118.68 124.44 2whf s LEU 316 Ca 0.20 -0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 2whf s LEU 316 Cb -0.16 -2.59 0.14 0.00 0.03 0.00 0.00 46.19 43.62 2whf s LEU 316 CO 0.11 -0.97 1.58 0.18 0.23 0.00 0.00 176.35 177.48 2whf n LEU 317 N 6.55 5.36 -0.29 1.79 4.32 -0.56 -2.57 117.00 131.60 2whf n LEU 317 Ca -0.04 -4.34 0.11 0.00 -0.02 0.00 0.00 56.01 51.72 2whf n LEU 317 Cb 0.46 -1.64 0.27 0.00 -1.62 0.00 0.00 43.42 40.89 2whf n LEU 317 CO 0.57 0.67 1.02 1.88 -1.22 0.00 0.00 177.39 180.31 2whf h TYR 318 N 7.05 0.56 -0.63 -1.77 0.05 -1.54 0.16 116.97 120.84 2whf h TYR 318 Ca 0.37 0.04 0.06 0.00 0.05 0.00 0.00 58.73 59.24 2whf h TYR 318 Cb 0.84 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 38.43 2whf h TYR 318 CO 1.21 -0.04 0.42 0.78 -1.05 0.00 0.00 178.16 179.47 2whf h GLY 319 N 0.38 0.80 0.46 3.88 0.00 -0.96 -0.67 103.07 106.96 2whf h GLY 319 Ca 0.52 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.48 2whf h GLY 319 CO -0.51 0.20 -0.44 0.23 0.00 0.00 0.00 176.54 176.02 2whf h SER 320 N 0.65 0.29 -0.90 0.19 0.87 -1.45 -3.24 113.55 109.97 2whf h SER 320 Ca 0.27 -0.90 0.14 0.00 -1.23 0.00 0.00 61.79 60.06 2whf h SER 320 Cb 0.23 -0.09 -0.09 0.00 -0.44 0.00 0.00 62.40 62.01 2whf h SER 320 CO -0.08 1.17 0.51 0.00 -0.53 0.00 0.00 176.83 177.90 2whf h ALA 321 N 0.13 1.37 0.00 6.23 0.00 -0.54 0.90 119.26 127.35 2whf h ALA 321 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2whf h ALA 321 Cb 1.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2whf h ALA 321 CO 0.08 0.03 0.00 -0.91 0.00 0.00 0.00 179.25 178.45 2whf h ASN 322 N 0.76 0.00 -0.27 0.00 2.35 -1.21 -2.70 115.58 114.52 2whf h ASN 322 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 2whf h ASN 322 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2whf h ASN 322 CO -0.32 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.00 2whf n ARG 323 N -2.56 2.86 -2.63 0.81 1.74 0.24 -4.85 116.66 112.26 2whf n ARG 323 Ca 0.00 -2.58 -0.43 0.00 -0.77 0.00 0.00 57.85 54.07 2whf n ARG 323 Cb 0.20 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 29.96 2whf n ARG 323 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2whf s ASP 324 N -1.68 6.85 0.56 0.55 -1.08 -0.75 -4.69 116.67 116.42 2whf s ASP 324 Ca 0.36 0.88 0.26 0.00 -0.52 0.00 0.00 52.55 53.53 2whf s ASP 324 Cb 0.27 -2.54 1.52 0.00 -1.46 0.00 0.00 42.92 40.71 2whf s ASP 324 CO 0.10 -0.98 2.06 -0.33 0.52 0.00 0.00 175.17 176.54 2whf h GLU 325 N 8.41 0.00 0.00 4.34 3.07 -1.91 -0.19 114.58 128.30 2whf h GLU 325 Ca -0.21 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.63 2whf h GLU 325 Cb 1.06 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.97 2whf h GLU 325 CO 1.06 0.00 -0.09 0.00 -1.40 0.00 0.00 179.01 178.58 2whf h ARG 326 N 0.00 0.00 0.01 2.33 3.08 -1.90 0.45 114.38 118.34 2whf h ARG 326 Ca 0.13 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.80 2whf h ARG 326 Cb 0.63 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.62 2whf h ARG 326 CO -0.00 0.09 -2.39 0.94 -1.07 0.00 0.00 179.97 177.54 2whf n GLN 327 N -4.41 0.67 -0.04 0.04 -0.06 -0.22 -4.67 117.38 108.69 2whf n GLN 327 Ca -0.03 0.12 0.04 0.00 -2.00 0.00 0.00 57.00 55.14 2whf n GLN 327 Cb 0.16 -1.55 0.06 0.00 -4.06 0.00 0.00 30.24 24.86 2whf n GLN 327 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2whf n TYR 328 N -3.14 0.11 0.00 3.69 4.02 -0.40 -5.05 117.16 116.39 2whf n TYR 328 Ca -0.40 -0.17 0.00 0.00 -0.01 0.00 0.00 57.90 57.32 2whf n TYR 328 Cb 1.04 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.35 2whf n TYR 328 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2whf n GLY 329 N 0.36 -0.49 0.11 2.72 0.00 0.16 -4.23 105.19 103.82 2whf n GLY 329 Ca 0.06 -1.72 0.10 0.00 0.00 0.00 0.00 46.02 44.46 2whf n GLY 329 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2whf n PRO 330 N -0.49 0.14 -0.78 1.61 -0.02 -1.26 -0.97 135.00 133.23 2whf n PRO 330 Ca 0.00 0.47 -0.07 0.00 -2.02 0.00 0.00 63.50 61.88 2whf n PRO 330 Cb 0.00 -1.82 0.21 0.00 -0.02 0.00 0.00 33.50 31.86 2whf n PRO 330 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2whf n ASP 331 N -2.10 3.97 0.30 2.55 5.75 -1.26 -4.60 116.55 121.15 2whf n ASP 331 Ca 0.01 -2.94 0.15 0.00 -0.01 0.00 0.00 54.79 52.00 2whf n ASP 331 Cb 0.15 -0.70 0.90 0.00 -1.03 0.00 0.00 41.12 40.45 2whf n ASP 331 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2whf h ALA 332 N 2.29 1.54 0.00 2.12 0.00 -1.23 -1.67 119.26 122.31 2whf h ALA 332 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2whf h ALA 332 Cb 2.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2whf h ALA 332 CO 0.60 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.85 2whf n ALA 333 N -2.33 2.22 -2.76 0.00 0.00 -1.26 -4.84 120.51 111.54 2whf n ALA 333 Ca -0.03 -0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 2whf n ALA 333 Cb 0.09 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.04 2whf n ALA 333 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2whf s GLU 334 N -3.02 2.82 -0.05 0.00 2.02 -0.63 -5.08 118.70 114.76 2whf s GLU 334 Ca 0.13 -0.76 -0.30 0.00 0.02 0.00 0.00 54.97 54.06 2whf s GLU 334 Cb 0.17 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 2whf s GLU 334 CO 0.50 0.54 1.29 -1.17 0.02 0.00 0.00 175.26 176.44 2whf s LEU 335 N -2.53 4.28 -0.26 1.80 2.96 -1.26 -4.99 118.68 118.68 2whf s LEU 335 Ca 0.29 1.91 -0.04 0.00 -0.22 0.00 0.00 54.13 56.08 2whf s LEU 335 Cb -0.12 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.11 2whf s LEU 335 CO 0.22 -0.66 0.11 -0.62 -1.32 0.00 0.00 176.35 174.08 2whf s ASP 336 N 1.71 3.35 0.00 3.68 2.15 -1.26 -5.01 116.67 121.29 2whf s ASP 336 Ca 0.59 -1.18 0.16 0.00 0.43 0.00 0.00 52.55 52.54 2whf s ASP 336 Cb -0.27 -0.43 0.69 0.00 -0.30 0.00 0.00 42.92 42.62 2whf s ASP 336 CO 0.23 -0.41 1.49 1.33 -0.17 0.00 0.00 175.17 177.64 2whf n VAL 337 N 5.18 0.85 0.12 1.11 0.24 -1.26 -1.34 118.33 123.23 2whf n VAL 337 Ca -0.06 0.21 0.12 0.00 -2.04 0.00 0.00 64.34 62.57 2whf n VAL 337 Cb 0.44 -0.94 0.25 0.00 -1.47 0.00 0.00 33.84 32.11 2whf n VAL 337 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2whf n THR 338 N -1.46 0.64 -0.01 3.34 -2.24 -1.26 -3.80 114.28 109.49 2whf n THR 338 Ca 0.04 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2whf n THR 338 Cb 0.17 0.86 0.31 0.00 -2.10 0.00 0.00 70.33 69.57 2whf n THR 338 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2whf h ARG 339 N 4.48 0.54 -6.36 -0.78 2.43 -1.56 -3.47 114.38 109.65 2whf h ARG 339 Ca 0.00 -0.10 -0.41 0.00 -0.81 0.00 0.00 59.98 58.66 2whf h ARG 339 Cb 1.00 -0.08 0.03 0.00 -0.42 0.00 0.00 29.97 30.50 2whf h ARG 339 CO 0.00 0.54 -0.85 0.00 -1.51 0.00 0.00 179.97 178.14 2whf s PRO 341 N -5.46 4.43 0.22 0.00 0.04 -1.26 -5.01 135.00 127.95 2whf s PRO 341 Ca 0.27 2.10 0.09 0.00 0.04 0.00 0.00 61.00 63.50 2whf s PRO 341 Cb -0.11 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 2whf s PRO 341 CO 0.87 -0.08 -0.03 1.03 0.04 0.00 0.00 177.00 178.84 2whf s ARG 342 N -1.67 2.27 -1.49 4.56 1.81 -1.26 -4.70 118.95 118.45 2whf s ARG 342 Ca 0.48 -1.28 -0.13 0.00 -1.72 0.00 0.00 55.73 53.08 2whf s ARG 342 Cb -0.38 -2.22 0.07 0.00 -0.45 0.00 0.00 34.95 31.97 2whf s ARG 342 CO 0.49 0.41 1.03 0.09 -0.68 0.00 0.00 175.30 176.65 2whf n ASN 343 N -0.41 -5.26 -4.75 0.23 3.02 -1.26 -4.96 115.26 101.86 2whf n ASN 343 Ca -0.09 -0.71 -0.35 0.00 -0.03 0.00 0.00 54.58 53.41 2whf n ASN 343 Cb 0.57 -4.18 0.05 0.00 -0.61 0.00 0.00 39.78 35.61 2whf n ASN 343 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2whf s ILE 344 N -3.30 2.82 -1.83 2.41 -4.36 -1.26 -4.95 121.20 110.73 2whf s ILE 344 Ca 0.65 0.45 0.20 0.00 -0.26 0.00 0.00 60.65 61.68 2whf s ILE 344 Cb -0.31 -3.06 0.49 0.00 1.25 0.00 0.00 42.46 40.82 2whf s ILE 344 CO 0.80 -0.17 1.41 0.18 0.24 0.00 0.00 174.94 177.40 2whf n LEU 345 N -2.03 3.53 -0.12 0.37 4.77 -1.26 -4.65 117.00 117.61 2whf n LEU 345 Ca 0.12 -1.83 0.09 0.00 -0.03 0.00 0.00 56.01 54.36 2whf n LEU 345 Cb 0.51 -0.35 0.43 0.00 -2.33 0.00 0.00 43.42 41.68 2whf n LEU 345 CO 0.46 0.85 1.20 0.74 -1.33 0.00 0.00 177.39 179.30 2whf h THR 346 N 3.74 0.96 -0.53 -5.08 2.02 -1.88 -0.97 112.91 111.18 2whf h THR 346 Ca 0.00 -0.19 -0.17 0.00 0.77 0.00 0.00 66.41 66.82 2whf h THR 346 Cb 0.91 0.35 -0.10 0.00 -1.74 0.00 0.00 68.15 67.57 2whf h THR 346 CO 0.00 0.10 0.14 0.49 0.37 0.00 0.00 175.52 176.62 2whf n PHE 347 N -4.48 1.76 -4.77 3.16 3.72 -1.26 -4.67 117.46 110.91 2whf n PHE 347 Ca 0.10 -1.25 0.00 0.00 -0.05 0.00 0.00 57.45 56.25 2whf n PHE 347 Cb 0.29 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 2whf n PHE 347 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2whf n SER 348 N -0.55 -3.26 -3.61 4.37 2.88 -0.37 -1.16 113.62 111.91 2whf n SER 348 Ca 0.35 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.75 2whf n SER 348 Cb 1.19 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.58 2whf n SER 348 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2whf s HIS 349 N 0.00 -0.69 0.00 0.66 2.46 -1.26 -4.78 115.29 111.67 2whf s HIS 349 Ca 0.00 1.62 0.00 0.00 0.47 0.00 0.00 55.06 57.15 2whf s HIS 349 Cb 0.00 0.31 0.00 0.00 -0.13 0.00 0.00 32.58 32.76 2whf s HIS 349 CO 0.00 -0.38 0.00 0.41 -2.47 0.00 0.00 174.74 172.30 2whf n GLY 350 N 2.27 -0.82 0.38 1.59 0.00 -1.26 -3.58 105.19 103.76 2whf n GLY 350 Ca -0.14 -1.83 0.14 0.00 0.00 0.00 0.00 46.02 44.19 2whf n GLY 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whf h ALA 351 N 0.00 2.04 -0.60 4.61 0.00 -1.85 -1.54 119.26 121.92 2whf h ALA 351 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2whf h ALA 351 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2whf h ALA 351 CO 0.00 -0.25 0.00 0.72 0.00 0.00 0.00 179.25 179.72 2whf n HIS 352 N -4.49 0.80 -1.56 0.00 -0.00 -1.26 -4.99 115.22 103.71 2whf n HIS 352 Ca 0.15 -0.40 -0.59 0.00 -0.00 0.00 0.00 57.72 56.88 2whf n HIS 352 Cb 0.50 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.41 2whf n HIS 352 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2whf n HIS 353 N 1.58 1.00 -1.70 4.41 -0.00 -0.58 -4.63 115.22 115.31 2whf n HIS 353 Ca 0.23 0.98 -0.59 0.00 0.46 0.00 0.00 57.72 58.80 2whf n HIS 353 Cb 0.61 -2.16 -0.08 0.00 -0.12 0.00 0.00 29.99 28.24 2whf n HIS 353 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2whf h LEU 355 N 6.43 0.00 -2.49 0.00 3.38 -1.93 -2.98 115.31 117.73 2whf h LEU 355 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2whf h LEU 355 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2whf h LEU 355 CO 0.94 0.13 0.00 0.61 0.09 0.00 0.00 178.44 180.20 2whf n GLY 356 N -0.76 2.10 0.20 0.83 0.00 -1.26 -4.52 105.19 101.78 2whf n GLY 356 Ca -0.02 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.29 2whf n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whf h ALA 357 N 3.99 0.55 -0.45 4.61 0.00 -1.90 0.11 119.26 126.17 2whf h ALA 357 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2whf h ALA 357 Cb 1.07 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2whf h ALA 357 CO 0.11 -0.33 -0.23 0.00 0.00 0.00 0.00 179.25 178.80 2whf h ALA 358 N 1.41 0.74 -0.56 0.00 0.00 -1.87 -0.32 119.26 118.65 2whf h ALA 358 Ca 0.26 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2whf h ALA 358 Cb 0.36 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2whf h ALA 358 CO -0.36 0.66 0.27 0.00 0.00 0.00 0.00 179.25 179.83 2whf h ALA 359 N 0.93 0.73 0.06 0.00 0.00 -1.63 0.16 119.26 119.50 2whf h ALA 359 Ca 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2whf h ALA 359 Cb 0.80 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2whf h ALA 359 CO 0.07 0.29 -0.03 0.00 0.00 0.00 0.00 179.25 179.58 2whf h ALA 360 N 1.11 -0.08 -0.73 0.00 0.00 -0.61 -1.55 119.26 117.40 2whf h ALA 360 Ca 0.19 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.14 2whf h ALA 360 Cb 0.12 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 2whf h ALA 360 CO -0.02 -0.48 0.33 0.00 0.00 0.00 0.00 179.25 179.08 2whf h ARG 361 N -0.21 0.51 -0.52 0.00 3.08 -0.92 -1.58 114.38 114.75 2whf h ARG 361 Ca -0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2whf h ARG 361 Cb 0.18 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2whf h ARG 361 CO 0.01 0.34 0.30 1.98 -1.07 0.00 0.00 179.97 181.53 2whf h MET 362 N 0.53 0.71 -0.68 0.04 4.05 -0.79 -0.10 114.93 118.69 2whf h MET 362 Ca 0.38 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.71 2whf h MET 362 Cb 0.49 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 2whf h MET 362 CO -0.33 0.54 0.37 1.96 0.23 0.00 0.00 176.91 179.68 2whf h GLN 363 N 0.69 0.95 -0.22 0.39 4.20 -0.93 -0.33 115.11 119.87 2whf h GLN 363 Ca 0.18 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2whf h GLN 363 Cb 0.02 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2whf h GLN 363 CO -0.03 0.72 0.11 0.00 -0.67 0.00 0.00 178.83 178.96 2whf h ARG 365 N 0.23 -0.09 -0.47 0.00 2.43 -0.76 0.34 114.38 116.06 2whf h ARG 365 Ca 0.08 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2whf h ARG 365 Cb 0.11 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2whf h ARG 365 CO -0.01 -0.06 0.14 0.28 -1.51 0.00 0.00 179.97 178.81 2whf h VAL 366 N -0.09 1.23 -0.61 0.20 2.07 -0.95 -1.13 116.25 116.97 2whf h VAL 366 Ca 0.01 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2whf h VAL 366 Cb 0.10 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2whf h VAL 366 CO -0.02 0.28 0.31 0.00 0.02 0.00 0.00 177.57 178.16 2whf h ALA 367 N 0.99 0.78 -0.36 1.67 0.00 -0.82 -1.75 119.26 119.78 2whf h ALA 367 Ca 0.15 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2whf h ALA 367 Cb 0.29 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2whf h ALA 367 CO -0.00 0.33 -0.41 1.25 0.00 0.00 0.00 179.25 180.42 2whf h LEU 368 N 0.83 0.98 -0.04 0.00 5.85 -0.77 -0.47 115.31 121.68 2whf h LEU 368 Ca 0.21 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2whf h LEU 368 Cb 0.09 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 2whf h LEU 368 CO -0.03 1.26 0.03 0.74 -0.34 0.00 0.00 178.44 180.10 2whf h THR 369 N 0.71 1.02 -0.10 1.05 2.02 -1.02 -2.07 112.91 114.53 2whf h THR 369 Ca 0.05 -0.04 -0.15 0.00 0.77 0.00 0.00 66.41 67.04 2whf h THR 369 Cb 1.00 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2whf h THR 369 CO 0.10 0.01 -0.60 -0.33 0.37 0.00 0.00 175.52 175.07 2whf h GLU 370 N 0.05 0.35 -0.41 6.66 4.39 -1.24 -1.94 114.58 122.44 2whf h GLU 370 Ca 0.02 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 2whf h GLU 370 Cb 0.00 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2whf h GLU 370 CO -0.00 0.84 0.24 1.25 -1.16 0.00 0.00 179.01 180.19 2whf h LEU 371 N 0.26 0.49 -0.78 1.33 5.85 -0.95 -0.06 115.31 121.46 2whf h LEU 371 Ca -0.01 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 2whf h LEU 371 Cb 1.12 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2whf h LEU 371 CO 0.10 0.40 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.09 2whf h LEU 372 N 0.53 0.41 -0.27 2.25 3.38 -1.19 0.17 115.31 120.60 2whf h LEU 372 Ca 0.15 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2whf h LEU 372 Cb 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2whf h LEU 372 CO -0.03 0.80 -0.34 0.00 0.09 0.00 0.00 178.44 178.96 2whf h ALA 373 N 1.22 0.82 0.00 1.53 0.00 -1.09 -3.34 119.26 118.40 2whf h ALA 373 Ca 0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2whf h ALA 373 Cb 0.90 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2whf h ALA 373 CO 0.07 0.43 -1.36 0.54 0.00 0.00 0.00 179.25 178.94 2whf n ARG 374 N -3.24 2.73 -2.62 0.00 1.74 -0.06 -4.80 116.66 110.41 2whf n ARG 374 Ca 0.02 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.99 2whf n ARG 374 Cb 0.62 -1.13 0.03 0.00 -1.02 0.00 0.00 32.46 30.96 2whf n ARG 374 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2whf h PRO 376 N 2.81 0.42 -5.34 0.00 0.13 -1.65 -3.31 132.00 125.05 2whf h PRO 376 Ca -0.01 -0.22 -0.67 0.00 -0.87 0.00 0.00 66.00 64.23 2whf h PRO 376 Cb 1.17 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 2whf h PRO 376 CO 0.52 0.78 1.15 -0.51 -0.23 0.00 0.00 178.00 179.72 2whf s ASP 377 N -6.87 6.65 0.11 1.44 1.01 -1.26 -4.99 116.67 112.77 2whf s ASP 377 Ca -0.06 -2.01 0.06 0.00 0.71 0.00 0.00 52.55 51.25 2whf s ASP 377 Cb 0.13 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 2whf s ASP 377 CO 0.81 -1.16 -0.15 0.72 0.21 0.00 0.00 175.17 175.60 2whf s PHE 378 N 3.28 1.45 0.02 4.23 -0.71 -1.25 -2.46 117.98 122.55 2whf s PHE 378 Ca 0.39 -0.51 0.05 0.00 -1.04 0.00 0.00 56.93 55.81 2whf s PHE 378 Cb -0.03 -0.77 -0.02 0.00 -1.21 0.00 0.00 43.02 41.00 2whf s PHE 378 CO -0.08 0.15 -0.14 -1.21 -1.34 0.00 0.00 175.22 172.61 2whf s GLU 379 N -2.42 0.96 -0.05 1.99 2.02 0.30 -4.98 118.70 116.52 2whf s GLU 379 Ca 0.07 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.42 2whf s GLU 379 Cb -0.06 -0.96 0.02 0.00 0.10 0.00 0.00 34.13 33.23 2whf s GLU 379 CO 0.03 0.24 -0.07 0.08 0.02 0.00 0.00 175.26 175.56 2whf s VAL 380 N -0.68 0.77 -0.52 2.63 1.01 -1.26 -1.51 120.40 120.84 2whf s VAL 380 Ca 0.03 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 2whf s VAL 380 Cb -0.07 -0.75 0.06 0.00 0.00 0.00 0.00 36.38 35.63 2whf s VAL 380 CO 0.01 0.28 0.65 0.00 0.00 0.00 0.00 175.10 176.03 2whf s ALA 381 N 0.82 3.38 0.23 5.51 0.00 -1.25 -4.94 121.76 125.51 2whf s ALA 381 Ca -0.12 -1.79 -0.07 0.00 0.00 0.00 0.00 51.96 49.97 2whf s ALA 381 Cb -0.15 -3.39 0.26 0.00 0.00 0.00 0.00 23.12 19.84 2whf s ALA 381 CO 0.01 -2.07 1.86 0.93 0.00 0.00 0.00 175.76 176.49 2whf h GLU 382 N 9.04 0.95 0.00 0.00 5.08 -1.98 -1.04 114.58 126.63 2whf h GLU 382 Ca -0.28 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2whf h GLU 382 Cb 1.09 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2whf h GLU 382 CO 0.99 0.63 0.00 -1.13 -1.00 0.00 0.00 179.01 178.50 2whf n SER 383 N -4.60 0.36 -0.78 1.42 3.41 -1.26 -1.56 113.62 110.61 2whf n SER 383 Ca 0.10 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.44 2whf n SER 383 Cb 0.11 -0.68 0.07 0.00 -0.26 0.00 0.00 64.21 63.45 2whf n SER 383 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2whf n ARG 384 N -1.93 1.90 -2.27 4.33 1.74 -0.40 -4.94 116.66 115.09 2whf n ARG 384 Ca 0.01 -1.60 -0.41 0.00 -0.77 0.00 0.00 57.85 55.08 2whf n ARG 384 Cb 0.13 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 2whf n ARG 384 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2whf s ILE 385 N -2.00 3.23 -0.15 0.55 1.01 -0.60 -4.63 121.20 118.61 2whf s ILE 385 Ca 0.24 1.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.95 2whf s ILE 385 Cb 0.18 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 2whf s ILE 385 CO 0.35 0.20 -0.07 -0.69 0.00 0.00 0.00 174.94 174.72 2whf s VAL 386 N -0.33 3.59 0.09 2.92 1.01 -0.86 -4.99 120.40 121.83 2whf s VAL 386 Ca 0.53 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 2whf s VAL 386 Cb -0.36 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.41 2whf s VAL 386 CO 0.41 0.50 0.37 0.26 0.00 0.00 0.00 175.10 176.64 2whf s TRP 387 N 0.37 3.55 0.58 5.22 0.52 -1.26 0.11 118.94 128.02 2whf s TRP 387 Ca -0.06 0.68 -0.18 0.00 0.02 0.00 0.00 56.10 56.56 2whf s TRP 387 Cb -0.15 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.05 2whf s TRP 387 CO 0.04 0.51 1.12 0.45 0.02 0.00 0.00 176.95 179.08 2whf s SER 388 N -1.96 5.57 1.04 2.95 0.15 0.29 -4.66 113.70 117.09 2whf s SER 388 Ca 0.35 2.10 -0.13 0.00 0.70 0.00 0.00 55.95 58.96 2whf s SER 388 Cb -0.13 -2.57 0.21 0.00 -1.71 0.00 0.00 66.02 61.82 2whf s SER 388 CO 0.20 -1.32 1.09 -0.83 1.20 0.00 0.00 173.24 173.58 2whf s GLY 389 N -2.06 1.56 0.00 9.45 0.00 -1.26 -4.01 107.32 111.00 2whf s GLY 389 Ca 0.70 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.97 2whf s GLY 389 CO 0.31 0.21 0.00 0.61 0.00 0.00 0.00 173.10 174.23 2whf n GLY 390 N -1.03 2.59 0.52 0.20 0.00 -1.26 -4.05 105.19 102.17 2whf n GLY 390 Ca 0.06 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.61 2whf n GLY 390 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2whf n SER 391 N 0.00 1.86 -0.05 1.61 7.64 -1.25 -4.47 113.62 118.96 2whf n SER 391 Ca 0.00 -1.44 -0.06 0.00 1.01 0.00 0.00 58.87 58.37 2whf n SER 391 Cb 0.00 0.20 -0.05 0.00 -1.01 0.00 0.00 64.21 63.34 2whf n SER 391 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2whf n TYR 392 N 0.13 0.00 -4.51 1.43 4.01 -1.26 -4.41 117.16 112.55 2whf n TYR 392 Ca 0.13 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.53 2whf n TYR 392 Cb 0.44 -0.40 -0.13 0.00 -0.31 0.00 0.00 39.34 38.94 2whf n TYR 392 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2whf s VAL 393 N -2.20 3.57 -0.38 -0.72 1.01 -1.26 -0.81 120.40 119.60 2whf s VAL 393 Ca -0.12 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 2whf s VAL 393 Cb 0.03 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.89 2whf s VAL 393 CO 0.26 0.50 0.23 -0.60 0.00 0.00 0.00 175.10 175.49 2whf s ARG 394 N 0.42 2.89 -0.14 2.72 3.52 0.22 -4.83 118.95 123.76 2whf s ARG 394 Ca -0.06 -1.05 -0.15 0.00 -0.13 0.00 0.00 55.73 54.34 2whf s ARG 394 Cb -0.15 -3.80 0.04 0.00 -1.56 0.00 0.00 34.95 29.48 2whf s ARG 394 CO 0.04 -0.70 0.41 -0.98 -0.81 0.00 0.00 175.30 173.26 2whf s ARG 395 N 1.60 0.53 0.21 5.12 1.04 -1.26 -4.56 118.95 121.62 2whf s ARG 395 Ca 0.03 0.48 -0.25 0.00 -1.04 0.00 0.00 55.73 54.95 2whf s ARG 395 Cb -0.19 0.25 -0.08 0.00 -2.04 0.00 0.00 34.95 32.89 2whf s ARG 395 CO 0.08 -0.08 0.82 -1.25 -0.04 0.00 0.00 175.30 174.82 2whf s PRO 396 N 0.00 4.56 0.21 3.89 0.04 -1.26 -0.54 135.00 141.89 2whf s PRO 396 Ca -0.02 1.18 0.13 0.00 0.04 0.00 0.00 61.00 62.33 2whf s PRO 396 Cb -0.03 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 2whf s PRO 396 CO 0.01 0.49 1.32 -0.07 0.04 0.00 0.00 177.00 178.79 2whf h LEU 397 N 3.97 0.00 -7.33 -3.56 3.38 -0.60 -3.45 115.31 107.73 2whf h LEU 397 Ca -0.47 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.33 2whf h LEU 397 Cb 1.20 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.66 2whf h LEU 397 CO 0.66 0.65 -0.43 -0.55 0.09 0.00 0.00 178.44 178.85 2whf s SER 398 N -6.44 -0.32 -0.35 -0.43 0.15 -1.03 -4.60 113.70 100.68 2whf s SER 398 Ca 0.02 0.61 0.01 0.00 0.70 0.00 0.00 55.95 57.29 2whf s SER 398 Cb 0.08 0.50 0.11 0.00 -1.71 0.00 0.00 66.02 65.01 2whf s SER 398 CO 0.77 -0.17 0.13 -0.69 1.20 0.00 0.00 173.24 174.49 2whf s VAL 399 N 1.20 1.24 0.19 4.45 1.01 -1.26 -2.02 120.40 125.21 2whf s VAL 399 Ca -0.09 -1.87 -0.31 0.00 0.00 0.00 0.00 61.98 59.71 2whf s VAL 399 Cb -0.09 -1.91 -0.11 0.00 0.00 0.00 0.00 36.38 34.27 2whf s VAL 399 CO -0.09 -0.73 1.61 -2.84 0.00 0.00 0.00 175.10 173.05 2whf s PRO 400 N 1.15 4.19 -0.03 2.72 0.02 -1.26 -2.55 135.00 139.24 2whf s PRO 400 Ca 0.12 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.59 2whf s PRO 400 Cb -0.20 -3.12 0.03 0.00 0.02 0.00 0.00 34.50 31.23 2whf s PRO 400 CO -0.15 -0.64 0.00 0.12 -0.33 0.00 0.00 177.00 176.00 2whf s PHE 401 N 1.00 0.29 0.02 6.54 5.36 -0.92 -3.75 117.98 126.53 2whf s PHE 401 Ca 0.70 0.01 0.06 0.00 -0.96 0.00 0.00 56.93 56.73 2whf s PHE 401 Cb -0.46 -0.38 -0.02 0.00 -0.34 0.00 0.00 43.02 41.83 2whf s PHE 401 CO 0.33 -0.12 -0.16 -0.98 -1.46 0.00 0.00 175.22 172.83 2whf s ARG 402 N 0.94 1.16 0.01 10.12 1.04 -0.57 -0.84 118.95 130.80 2whf s ARG 402 Ca -0.09 -0.75 0.02 0.00 -1.04 0.00 0.00 55.73 53.86 2whf s ARG 402 Cb -0.13 -1.19 -0.01 0.00 -2.04 0.00 0.00 34.95 31.59 2whf s ARG 402 CO -0.02 0.31 -0.05 0.14 -0.04 0.00 0.00 175.30 175.64 2whf s VAL 403 N -0.69 0.41 -2.09 4.99 -7.23 -0.61 -0.54 120.40 114.65 2whf s VAL 403 Ca 0.05 -0.40 0.17 0.00 -1.81 0.00 0.00 61.98 59.98 2whf s VAL 403 Cb -0.08 -0.38 0.13 0.00 0.56 0.00 0.00 36.38 36.61 2whf s VAL 403 CO 0.01 -0.00 1.03 0.35 -0.31 0.00 0.00 175.10 176.17