#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcf s ASP 15 N 0.00 6.64 -0.17 3.54 -1.08 -1.26 -4.99 116.67 119.35 3hcf s ASP 15 Ca 0.00 0.76 -0.23 0.00 -0.52 0.00 0.00 52.55 52.56 3hcf s ASP 15 Cb 0.00 -2.23 -0.20 0.00 -1.46 0.00 0.00 42.92 39.03 3hcf s ASP 15 CO 0.00 0.19 0.41 0.77 0.52 0.00 0.00 175.17 177.05 3hcf h SER 16 N 5.78 0.00 -0.66 -0.34 4.64 -2.05 -3.42 113.55 117.50 3hcf h SER 16 Ca -0.46 -0.65 0.09 0.00 -0.47 0.00 0.00 61.79 60.30 3hcf h SER 16 Cb 1.19 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.18 3hcf h SER 16 CO 0.69 1.20 -0.28 0.00 -0.87 0.00 0.00 176.83 177.57 3hcf n ALA 17 N -3.07 -0.14 0.23 5.18 0.00 -1.26 -2.41 120.51 119.03 3hcf n ALA 17 Ca -0.20 0.64 -0.17 0.00 0.00 0.00 0.00 53.44 53.70 3hcf n ALA 17 Cb 0.54 -0.26 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 3hcf n ALA 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hcf h PRO 18 N 0.00 -0.88 -0.22 0.00 0.11 -1.99 0.40 132.00 129.43 3hcf h PRO 18 Ca 0.21 0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.40 3hcf h PRO 18 Cb 0.37 0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.63 3hcf h PRO 18 CO -0.65 -0.58 -0.34 0.78 -0.21 0.00 0.00 178.00 177.00 3hcf h GLY 19 N -0.91 -1.35 -0.73 -0.55 0.00 -1.77 -0.09 103.07 97.67 3hcf h GLY 19 Ca -0.04 0.75 0.08 0.00 0.00 0.00 0.00 47.33 48.12 3hcf h GLY 19 CO -0.14 -0.36 -0.38 -1.06 0.00 0.00 0.00 176.54 174.60 3hcf n GLN 20 N -4.34 -0.27 0.09 4.80 6.02 -0.96 -0.18 117.38 122.53 3hcf n GLN 20 Ca -0.03 1.11 0.03 0.00 -0.01 0.00 0.00 57.00 58.10 3hcf n GLN 20 Cb 0.21 -1.64 0.40 0.00 1.02 0.00 0.00 30.24 30.23 3hcf n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hcf h ALA 21 N 0.59 1.55 0.38 -1.58 0.00 0.83 -0.50 119.26 120.53 3hcf h ALA 21 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hcf h ALA 21 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hcf h ALA 21 CO -0.70 0.33 -0.18 0.00 0.00 0.00 0.00 179.25 178.70 3hcf h ALA 22 N 1.66 -0.51 -0.23 0.00 0.00 0.12 -0.20 119.26 120.11 3hcf h ALA 22 Ca 0.07 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3hcf h ALA 22 Cb 0.27 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3hcf h ALA 22 CO 0.01 -0.77 -0.40 0.28 0.00 0.00 0.00 179.25 178.37 3hcf h VAL 23 N -0.55 0.00 -0.78 0.00 2.07 -0.59 -0.23 116.25 116.17 3hcf h VAL 23 Ca -0.05 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.65 3hcf h VAL 23 Cb 0.41 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.05 3hcf h VAL 23 CO 0.09 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.74 3hcf h ALA 24 N -0.46 0.90 0.19 1.67 0.00 -1.05 -0.18 119.26 120.32 3hcf h ALA 24 Ca 0.04 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3hcf h ALA 24 Cb 0.46 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3hcf h ALA 24 CO -0.40 -0.42 -0.50 1.03 0.00 0.00 0.00 179.25 178.96 3hcf h SER 25 N 0.14 -1.47 -0.76 0.00 0.87 -0.09 -2.79 113.55 109.45 3hcf h SER 25 Ca 0.44 0.15 0.15 0.00 -1.23 0.00 0.00 61.79 61.30 3hcf h SER 25 Cb 0.80 0.53 -0.10 0.00 -0.44 0.00 0.00 62.40 63.20 3hcf h SER 25 CO -0.65 -0.57 0.29 0.00 -0.53 0.00 0.00 176.83 175.37 3hcf h ALA 26 N -0.51 1.07 0.00 6.23 0.00 0.68 -1.73 119.26 125.00 3hcf h ALA 26 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hcf h ALA 26 Cb 0.77 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3hcf h ALA 26 CO -0.24 -0.24 0.00 0.66 0.00 0.00 0.00 179.25 179.43 3hcf n TYR 27 N -5.03 0.31 1.13 0.00 4.02 -0.72 -1.55 117.16 115.32 3hcf n TYR 27 Ca 0.15 0.12 0.09 0.00 -0.01 0.00 0.00 57.90 58.24 3hcf n TYR 27 Cb 0.44 -0.69 0.52 0.00 -0.02 0.00 0.00 39.34 39.59 3hcf n TYR 27 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3hcf n GLN 28 N -1.78 0.57 0.00 -0.72 1.13 -0.65 -2.00 117.38 113.93 3hcf n GLN 28 Ca 0.03 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.11 3hcf n GLN 28 Cb 0.21 -1.48 -0.00 0.00 0.11 0.00 0.00 30.24 29.08 3hcf n GLN 28 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3hcf n ARG 29 N -0.98 2.61 -1.68 -1.09 1.74 -0.60 -5.04 116.66 111.63 3hcf n ARG 29 Ca 0.13 -0.39 -0.45 0.00 -0.77 0.00 0.00 57.85 56.37 3hcf n ARG 29 Cb 0.06 -0.89 -0.04 0.00 -1.02 0.00 0.00 32.46 30.57 3hcf n ARG 29 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hcf n PHE 30 N -0.41 2.38 -3.84 -1.55 7.35 -0.85 -3.83 117.46 116.72 3hcf n PHE 30 Ca 0.02 0.15 -0.35 0.00 -0.76 0.00 0.00 57.45 56.51 3hcf n PHE 30 Cb 0.09 -2.60 -0.13 0.00 0.35 0.00 0.00 39.48 37.19 3hcf n PHE 30 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3hcf s GLU 31 N 1.60 2.09 0.24 -4.13 2.02 -0.59 -5.02 118.70 114.91 3hcf s GLU 31 Ca 0.81 -1.64 -0.11 0.00 0.02 0.00 0.00 54.97 54.05 3hcf s GLU 31 Cb -0.64 -3.42 0.33 0.00 0.10 0.00 0.00 34.13 30.51 3hcf s GLU 31 CO 0.39 -0.91 1.61 -1.35 0.02 0.00 0.00 175.26 175.02 3hcf h PRO 32 N 7.99 0.01 -0.31 0.39 0.11 -1.94 0.45 132.00 138.70 3hcf h PRO 32 Ca -0.15 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.02 3hcf h PRO 32 Cb 1.05 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.08 3hcf h PRO 32 CO 0.63 0.01 -0.44 0.00 -0.21 0.00 0.00 178.00 177.98 3hcf h ARG 33 N 0.01 -0.38 -0.78 1.05 2.47 -1.96 0.32 114.38 115.11 3hcf h ARG 33 Ca 0.37 0.03 0.04 0.00 -1.26 0.00 0.00 59.98 59.16 3hcf h ARG 33 Cb 0.58 0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.94 3hcf h ARG 33 CO -0.77 -0.25 0.48 0.00 0.56 0.00 0.00 179.97 179.99 3hcf h ALA 34 N 0.27 1.04 -0.15 0.04 0.00 -1.30 0.35 119.26 119.49 3hcf h ALA 34 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hcf h ALA 34 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hcf h ALA 34 CO -0.52 0.25 0.10 -0.92 0.00 0.00 0.00 179.25 178.16 3hcf h TYR 35 N 0.92 0.18 -0.21 0.00 3.20 -0.09 -0.77 116.97 120.20 3hcf h TYR 35 Ca 0.33 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.21 3hcf h TYR 35 Cb 0.08 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3hcf h TYR 35 CO -0.04 0.11 0.11 -0.07 -1.64 0.00 0.00 178.16 176.63 3hcf h LEU 36 N 0.20 0.17 -0.47 2.82 3.38 0.37 -2.11 115.31 119.66 3hcf h LEU 36 Ca 0.06 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3hcf h LEU 36 Cb -0.02 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3hcf h LEU 36 CO -0.02 0.13 0.19 -0.09 0.09 0.00 0.00 178.44 178.74 3hcf h ARG 37 N 0.23 0.37 0.00 1.13 2.43 -0.81 0.97 114.38 118.70 3hcf h ARG 37 Ca 0.08 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3hcf h ARG 37 Cb 0.01 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3hcf h ARG 37 CO -0.05 0.24 -0.24 -0.91 -1.51 0.00 0.00 179.97 177.50 3hcf h ASN 38 N 0.38 0.00 0.00 -3.80 2.35 -0.59 -3.16 115.58 110.76 3hcf h ASN 38 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3hcf h ASN 38 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3hcf h ASN 38 CO -0.21 0.24 -0.81 0.59 -1.65 0.00 0.00 177.43 175.59 3hcf n ASN 39 N -4.13 4.05 -0.12 5.81 3.02 -0.84 -4.77 115.26 118.27 3hcf n ASN 39 Ca -0.02 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.55 3hcf n ASN 39 Cb 0.30 0.73 0.04 0.00 -0.61 0.00 0.00 39.78 40.24 3hcf n ASN 39 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hcf n TYR 40 N -1.31 0.00 -4.43 3.10 4.02 0.32 -4.37 117.16 114.49 3hcf n TYR 40 Ca 0.00 -0.41 -0.24 0.00 -0.01 0.00 0.00 57.90 57.24 3hcf n TYR 40 Cb 0.08 -0.06 -0.09 0.00 -0.02 0.00 0.00 39.34 39.24 3hcf n TYR 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hcf s ALA 41 N -1.05 2.97 0.58 -0.72 0.00 -1.14 -4.49 121.76 117.91 3hcf s ALA 41 Ca 0.08 -1.92 -0.18 0.00 0.00 0.00 0.00 51.96 49.94 3hcf s ALA 41 Cb 0.07 -0.30 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 3hcf s ALA 41 CO 0.01 0.18 0.67 -2.30 0.00 0.00 0.00 175.76 174.32 3hcf n PRO 42 N -0.78 0.63 0.02 0.00 -0.02 -1.26 0.41 135.00 134.00 3hcf n PRO 42 Ca -0.05 0.25 -0.07 0.00 -2.02 0.00 0.00 63.50 61.61 3hcf n PRO 42 Cb 0.61 -1.85 0.11 0.00 -0.02 0.00 0.00 33.50 32.35 3hcf n PRO 42 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hcf h PRO 43 N 0.31 0.46 -0.14 0.52 0.11 -1.92 -3.42 132.00 127.92 3hcf h PRO 43 Ca -0.46 -0.26 -0.03 0.00 0.11 0.00 0.00 66.00 65.36 3hcf h PRO 43 Cb 1.39 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.50 3hcf h PRO 43 CO 0.48 0.84 -0.05 0.00 -0.21 0.00 0.00 178.00 179.06 3hcf h ARG 44 N 0.37 0.20 -0.00 1.05 3.08 -1.81 -1.63 114.38 115.64 3hcf h ARG 44 Ca 0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hcf h ARG 44 Cb 0.96 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.98 3hcf h ARG 44 CO 0.08 0.26 -0.00 0.41 -1.07 0.00 0.00 179.97 179.65 3hcf n GLY 45 N -1.13 -1.31 3.56 0.04 0.00 0.17 -4.30 105.19 102.21 3hcf n GLY 45 Ca -0.01 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3hcf n GLY 45 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hcf s ASP 46 N -2.64 5.95 0.00 1.61 2.15 -0.61 -4.49 116.67 118.63 3hcf s ASP 46 Ca 0.26 0.03 0.21 0.00 0.43 0.00 0.00 52.55 53.49 3hcf s ASP 46 Cb 0.20 -2.55 1.08 0.00 -0.30 0.00 0.00 42.92 41.35 3hcf s ASP 46 CO 0.47 -1.90 1.72 0.18 -0.17 0.00 0.00 175.17 175.47 3hcf n LEU 47 N 10.21 0.56 -0.01 -1.34 4.77 -1.26 -4.13 117.00 125.79 3hcf n LEU 47 Ca 0.11 -0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 55.73 3hcf n LEU 47 Cb 0.50 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 3hcf n LEU 47 CO 0.71 0.11 0.66 0.00 -1.33 0.00 0.00 177.39 177.54 3hcf s ASN 49 N -5.66 6.94 0.11 0.00 3.84 -1.26 -4.88 114.94 114.02 3hcf s ASN 49 Ca -0.16 1.81 0.20 0.00 0.21 0.00 0.00 52.86 54.92 3hcf s ASN 49 Cb 0.02 -2.55 0.82 0.00 -0.55 0.00 0.00 41.25 38.99 3hcf s ASN 49 CO 0.68 -0.72 1.61 -0.81 -2.79 0.00 0.00 177.10 175.06 3hcf n PRO 50 N 6.15 0.09 0.13 0.43 -0.05 -1.26 -2.13 135.00 138.37 3hcf n PRO 50 Ca 0.13 0.29 0.02 0.00 -0.05 0.00 0.00 63.50 63.89 3hcf n PRO 50 Cb 0.45 -1.66 0.01 0.00 -0.05 0.00 0.00 33.50 32.25 3hcf n PRO 50 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 175.50 174.54 3hcf h ASN 51 N 0.00 0.00 -2.42 3.54 2.35 -1.95 -3.41 115.58 113.69 3hcf h ASN 51 Ca 0.00 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 55.33 3hcf h ASN 51 Cb 0.34 0.00 0.22 0.00 0.05 0.00 0.00 38.32 38.93 3hcf h ASN 51 CO 0.00 0.54 -0.80 0.61 -1.65 0.00 0.00 177.43 176.13 3hcf n GLY 52 N 1.24 -2.52 0.10 2.83 0.00 -0.90 -4.83 105.19 101.10 3hcf n GLY 52 Ca 0.02 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 3hcf n GLY 52 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3hcf h VAL 53 N -2.34 1.29 0.13 1.61 3.04 -1.88 -2.94 116.25 115.17 3hcf h VAL 53 Ca -0.52 -2.93 0.01 0.00 -1.01 0.00 0.00 66.70 62.25 3hcf h VAL 53 Cb 1.30 2.81 -0.02 0.00 -2.01 0.00 0.00 31.29 33.38 3hcf h VAL 53 CO 0.38 0.84 -0.17 1.23 -1.01 0.00 0.00 177.57 178.84 3hcf h GLY 54 N 1.83 -0.33 0.43 3.17 0.00 -1.90 -0.13 103.07 106.13 3hcf h GLY 54 Ca -0.19 0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.41 3hcf h GLY 54 CO 0.17 -0.17 0.17 -2.55 0.00 0.00 0.00 176.54 174.16 3hcf h PRO 55 N -0.35 0.32 -0.33 4.80 0.11 -1.86 -1.58 132.00 133.12 3hcf h PRO 55 Ca 0.01 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.11 3hcf h PRO 55 Cb 0.35 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 3hcf h PRO 55 CO -0.07 0.21 0.20 2.35 -0.21 0.00 0.00 178.00 180.48 3hcf h TRP 56 N 0.33 0.38 0.28 0.65 7.01 -1.26 0.26 115.95 123.61 3hcf h TRP 56 Ca 0.26 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.27 3hcf h TRP 56 Cb 0.32 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 3hcf h TRP 56 CO -0.18 0.23 -0.24 0.87 -2.79 0.00 0.00 178.44 176.33 3hcf h LYS 57 N 0.42 -0.52 -0.91 2.65 1.57 -0.62 -0.72 116.57 118.43 3hcf h LYS 57 Ca 0.13 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 59.08 3hcf h LYS 57 Cb -0.02 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.34 3hcf h LYS 57 CO -0.05 -0.35 0.58 -0.07 -0.57 0.00 0.00 179.45 179.00 3hcf h LEU 58 N -0.54 0.71 -0.64 2.94 3.38 -0.90 -0.18 115.31 120.07 3hcf h LEU 58 Ca -0.02 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3hcf h LEU 58 Cb 0.49 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3hcf h LEU 58 CO -0.03 0.36 -0.12 -0.09 0.09 0.00 0.00 178.44 178.66 3hcf h ARG 59 N 0.75 0.94 -0.09 1.13 2.43 -0.07 -0.82 114.38 118.65 3hcf h ARG 59 Ca 0.46 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3hcf h ARG 59 Cb 0.67 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3hcf h ARG 59 CO -0.22 1.00 0.02 0.00 -1.51 0.00 0.00 179.97 179.26 3hcf h LEU 61 N -0.05 0.13 -0.39 0.00 3.38 -1.18 -2.55 115.31 114.65 3hcf h LEU 61 Ca 0.03 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3hcf h LEU 61 Cb 0.24 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3hcf h LEU 61 CO 0.00 0.20 0.10 0.00 0.09 0.00 0.00 178.44 178.83 3hcf h ALA 62 N 0.93 0.51 -0.07 1.53 0.00 -1.09 -0.36 119.26 120.71 3hcf h ALA 62 Ca 0.03 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3hcf h ALA 62 Cb 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hcf h ALA 62 CO -0.00 0.18 0.05 1.96 0.00 0.00 0.00 179.25 181.44 3hcf h GLN 63 N 0.48 0.00 0.01 0.00 4.20 -1.19 -0.11 115.11 118.51 3hcf h GLN 63 Ca 0.12 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 3hcf h GLN 63 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3hcf h GLN 63 CO 0.00 0.00 -0.35 1.15 -0.67 0.00 0.00 178.83 178.96 3hcf h THR 64 N 0.00 1.58 0.00 -0.54 2.02 -0.84 -3.08 112.91 112.05 3hcf h THR 64 Ca 0.03 -2.33 -0.00 0.00 0.77 0.00 0.00 66.41 64.88 3hcf h THR 64 Cb 0.13 3.13 -0.00 0.00 -1.74 0.00 0.00 68.15 69.68 3hcf h THR 64 CO -0.00 0.56 -0.00 -0.26 0.37 0.00 0.00 175.52 176.19 3hcf h PHE 65 N -0.93 0.00 0.00 3.16 -1.00 -0.95 -2.51 116.94 114.71 3hcf h PHE 65 Ca -0.09 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.61 3hcf h PHE 65 Cb 1.13 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.68 3hcf h PHE 65 CO 0.23 0.00 -0.38 0.00 -1.61 0.00 0.00 178.31 176.55 3hcf h ALA 66 N 2.00 0.91 0.00 2.45 0.00 -0.93 -2.18 119.26 121.51 3hcf h ALA 66 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hcf h ALA 66 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hcf h ALA 66 CO 0.00 0.48 0.00 0.25 0.00 0.00 0.00 179.25 179.98 3hcf n THR 67 N -3.42 1.07 -0.83 0.00 -2.24 -0.95 -4.81 114.28 103.11 3hcf n THR 67 Ca 0.00 0.58 0.00 0.00 -2.27 0.00 0.00 64.05 62.36 3hcf n THR 67 Cb 0.56 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 3hcf n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hcf n GLY 68 N -0.96 0.32 0.09 3.38 0.00 -0.82 -4.83 105.19 102.36 3hcf n GLY 68 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3hcf n GLY 68 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hcf n GLU 69 N -1.43 0.52 -3.90 1.61 1.02 -1.26 -4.48 120.64 112.73 3hcf n GLU 69 Ca 0.00 -0.18 -0.33 0.00 -0.02 0.00 0.00 57.16 56.64 3hcf n GLU 69 Cb 0.12 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.92 3hcf n GLU 69 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hcf s VAL 70 N -2.60 2.82 0.30 2.62 1.01 -1.26 -5.04 120.40 118.25 3hcf s VAL 70 Ca 0.25 -2.64 -0.07 0.00 0.00 0.00 0.00 61.98 59.52 3hcf s VAL 70 Cb 0.20 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.61 3hcf s VAL 70 CO 0.51 -0.72 0.48 -0.94 0.00 0.00 0.00 175.10 174.43 3hcf s SER 71 N 0.76 0.40 0.00 3.32 1.04 -1.26 -4.91 113.70 113.05 3hcf s SER 71 Ca 0.13 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.32 3hcf s SER 71 Cb -0.22 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3hcf s SER 71 CO -0.04 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.55 3hcf n GLY 72 N -0.47 -1.02 0.07 7.32 0.00 -1.22 -4.93 105.19 104.95 3hcf n GLY 72 Ca -0.01 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 3hcf n GLY 72 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hcf h ARG 73 N 2.06 -0.03 -6.41 1.61 2.43 -1.95 -3.34 114.38 108.75 3hcf h ARG 73 Ca 0.00 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.48 3hcf h ARG 73 Cb 0.00 0.01 -0.24 0.00 -0.42 0.00 0.00 29.97 29.31 3hcf h ARG 73 CO 0.00 0.70 -0.80 0.95 -1.51 0.00 0.00 179.97 179.31 3hcf s THR 74 N -2.80 2.84 0.04 0.20 -4.23 -1.26 -0.86 115.64 109.56 3hcf s THR 74 Ca -0.16 -0.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.54 3hcf s THR 74 Cb -0.01 -2.10 -0.02 0.00 1.34 0.00 0.00 72.50 71.71 3hcf s THR 74 CO 0.61 0.56 -0.10 -0.22 -0.54 0.00 0.00 174.62 174.93 3hcf s LEU 75 N -0.78 2.20 -0.06 4.79 2.96 0.69 -1.05 118.68 127.43 3hcf s LEU 75 Ca 0.12 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3hcf s LEU 75 Cb -0.10 -0.35 0.01 0.00 0.50 0.00 0.00 46.19 46.25 3hcf s LEU 75 CO 0.01 -0.08 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.20 3hcf s ILE 76 N -1.04 1.12 -0.30 6.68 1.01 -0.74 0.02 121.20 127.95 3hcf s ILE 76 Ca -0.04 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 3hcf s ILE 76 Cb -0.08 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 3hcf s ILE 76 CO 0.01 0.35 0.29 -0.62 0.00 0.00 0.00 174.94 174.97 3hcf s ASP 77 N 0.56 6.13 -0.53 3.58 2.15 0.94 -1.16 116.67 128.34 3hcf s ASP 77 Ca -0.12 -0.06 -0.21 0.00 0.43 0.00 0.00 52.55 52.59 3hcf s ASP 77 Cb -0.15 -2.17 0.05 0.00 -0.30 0.00 0.00 42.92 40.36 3hcf s ASP 77 CO 0.03 -0.19 0.75 -0.63 -0.17 0.00 0.00 175.17 174.96 3hcf s ILE 78 N 1.91 4.68 -0.44 4.11 -1.09 0.15 -3.11 121.20 127.40 3hcf s ILE 78 Ca 0.10 -0.23 -0.02 0.00 -2.23 0.00 0.00 60.65 58.27 3hcf s ILE 78 Cb -0.16 -4.40 -0.02 0.00 -1.58 0.00 0.00 42.46 36.29 3hcf s ILE 78 CO 0.11 -0.95 0.39 0.61 -1.23 0.00 0.00 174.94 173.87 3hcf n GLY 79 N 5.16 0.06 0.35 6.18 0.00 -1.19 -4.15 105.19 111.61 3hcf n GLY 79 Ca -0.04 0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3hcf n GLY 79 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hcf h SER 80 N -0.50 1.05 0.00 1.61 0.02 -0.40 -3.43 113.55 111.91 3hcf h SER 80 Ca -0.25 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3hcf h SER 80 Cb 1.13 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3hcf h SER 80 CO 0.19 0.74 0.00 0.61 -1.14 0.00 0.00 176.83 177.23 3hcf n GLY 81 N -1.36 0.86 2.14 -3.77 0.00 -1.25 -3.11 105.19 98.70 3hcf n GLY 81 Ca 0.11 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 3hcf n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hcf n PRO 82 N 0.00 2.14 -4.21 1.61 -0.04 -1.26 -4.79 135.00 128.46 3hcf n PRO 82 Ca 0.00 -2.16 -0.15 0.00 -0.04 0.00 0.00 63.50 61.15 3hcf n PRO 82 Cb 0.00 -1.88 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 3hcf n PRO 82 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hcf s THR 83 N -2.97 1.06 0.00 0.52 -4.23 -1.18 -4.90 115.64 103.94 3hcf s THR 83 Ca 0.44 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 3hcf s THR 83 Cb 0.33 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.63 3hcf s THR 83 CO -0.06 -0.60 0.00 1.33 -0.54 0.00 0.00 174.62 174.75 3hcf n VAL 84 N 0.31 0.00 -0.23 2.29 0.24 -1.26 -4.82 118.33 114.86 3hcf n VAL 84 Ca -0.14 0.00 0.17 0.00 -2.04 0.00 0.00 64.34 62.33 3hcf n VAL 84 Cb 0.59 0.28 0.48 0.00 -1.47 0.00 0.00 33.84 33.71 3hcf n VAL 84 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 3hcf h TYR 85 N 0.00 0.59 0.00 6.34 -0.00 -1.96 0.68 116.97 122.61 3hcf h TYR 85 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.75 3hcf h TYR 85 Cb 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 36.73 36.58 3hcf h TYR 85 CO 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 178.16 178.34 3hcf n GLN 86 N -4.52 0.01 0.00 0.10 0.00 -1.26 -2.05 117.38 109.65 3hcf n GLN 86 Ca 0.18 0.42 0.04 0.00 0.00 0.00 0.00 57.00 57.64 3hcf n GLN 86 Cb 0.61 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 29.35 3hcf n GLN 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3hcf n LEU 87 N -1.44 1.08 0.26 2.61 4.77 0.24 -4.70 117.00 119.81 3hcf n LEU 87 Ca 0.00 -0.75 -0.15 0.00 -0.03 0.00 0.00 56.01 55.08 3hcf n LEU 87 Cb 0.02 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 3hcf n LEU 87 CO 0.01 0.22 0.64 -0.07 -1.33 0.00 0.00 177.39 176.87 3hcf h LEU 88 N 0.91 -0.53 -0.41 2.23 3.38 -1.45 -1.15 115.31 118.29 3hcf h LEU 88 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hcf h LEU 88 Cb 0.29 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3hcf h LEU 88 CO 0.00 -0.29 0.00 -1.20 0.09 0.00 0.00 178.44 177.04 3hcf n SER 89 N -5.31 0.55 0.11 -0.43 7.64 -1.26 -3.05 113.62 111.86 3hcf n SER 89 Ca -0.11 0.61 0.12 0.00 1.01 0.00 0.00 58.87 60.49 3hcf n SER 89 Cb 0.29 -0.74 0.03 0.00 -1.01 0.00 0.00 64.21 62.78 3hcf n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hcf h ALA 90 N 2.40 0.54 0.00 -0.43 0.00 -1.58 -3.36 119.26 116.82 3hcf h ALA 90 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hcf h ALA 90 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hcf h ALA 90 CO 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 179.25 178.67 3hcf n SER 92 N -3.10 0.00 0.00 0.00 3.41 -1.26 -3.21 113.62 109.47 3hcf n SER 92 Ca 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3hcf n SER 92 Cb 0.69 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3hcf n SER 92 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hcf n HIS 93 N -1.14 0.00 -3.77 7.33 8.25 -1.03 -5.01 115.22 119.85 3hcf n HIS 93 Ca 0.06 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.26 3hcf n HIS 93 Cb 0.05 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 30.99 3hcf n HIS 93 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hcf s PHE 94 N -0.33 0.92 0.28 4.41 0.40 -1.20 -3.42 117.98 119.06 3hcf s PHE 94 Ca 0.00 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.79 3hcf s PHE 94 Cb 0.00 -0.95 0.53 0.00 0.51 0.00 0.00 43.02 43.10 3hcf s PHE 94 CO 0.00 -0.48 1.85 0.93 0.70 0.00 0.00 175.22 178.23 3hcf h GLU 95 N 8.27 1.00 -4.82 0.44 4.39 -1.52 -3.41 114.58 118.95 3hcf h GLU 95 Ca -0.19 -0.06 -0.62 0.00 0.34 0.00 0.00 59.36 58.83 3hcf h GLU 95 Cb 1.12 -0.23 -0.35 0.00 -0.10 0.00 0.00 28.75 29.19 3hcf h GLU 95 CO 0.31 0.66 -0.84 0.34 -1.16 0.00 0.00 179.01 178.32 3hcf s ASP 96 N -5.77 2.82 -0.13 1.42 3.68 -0.04 -4.73 116.67 113.90 3hcf s ASP 96 Ca -0.12 -0.53 0.02 0.00 2.13 0.00 0.00 52.55 54.05 3hcf s ASP 96 Cb 0.22 -1.27 0.01 0.00 -1.45 0.00 0.00 42.92 40.42 3hcf s ASP 96 CO 0.81 -0.03 -0.21 -0.63 0.13 0.00 0.00 175.17 175.25 3hcf s ILE 97 N 1.35 1.95 -0.15 4.11 1.01 -0.17 -0.22 121.20 129.08 3hcf s ILE 97 Ca 0.03 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 3hcf s ILE 97 Cb -0.13 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 3hcf s ILE 97 CO -0.10 0.53 0.03 -0.89 0.00 0.00 0.00 174.94 174.50 3hcf s THR 98 N 0.83 4.49 0.26 2.92 2.01 0.10 -1.22 115.64 125.03 3hcf s THR 98 Ca -0.07 -0.15 0.07 0.00 0.31 0.00 0.00 61.69 61.84 3hcf s THR 98 Cb -0.15 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 3hcf s THR 98 CO -0.01 0.50 0.22 -0.04 -0.69 0.00 0.00 174.62 174.60 3hcf s MET 99 N 0.07 2.96 -0.15 4.92 -1.94 -0.86 -0.04 119.30 124.25 3hcf s MET 99 Ca 0.03 -1.04 -0.19 0.00 -1.71 0.00 0.00 55.69 52.78 3hcf s MET 99 Cb -0.13 -2.59 0.05 0.00 2.01 0.00 0.00 34.83 34.17 3hcf s MET 99 CO 0.01 0.38 0.50 0.95 -0.01 0.00 0.00 175.02 176.86 3hcf s THR 100 N -2.13 0.01 0.15 2.05 -4.23 -1.18 -0.83 115.64 109.47 3hcf s THR 100 Ca 0.33 -0.06 -0.17 0.00 -1.18 0.00 0.00 61.69 60.61 3hcf s THR 100 Cb -0.08 -0.73 0.03 0.00 1.34 0.00 0.00 72.50 73.07 3hcf s THR 100 CO 0.25 -0.04 0.44 -0.62 -0.54 0.00 0.00 174.62 174.12 3hcf s ASP 101 N -0.10 -0.25 -0.07 3.99 2.15 -0.67 0.22 116.67 121.93 3hcf s ASP 101 Ca -0.03 -0.37 -0.26 0.00 0.43 0.00 0.00 52.55 52.32 3hcf s ASP 101 Cb -0.03 0.51 -0.23 0.00 -0.30 0.00 0.00 42.92 42.87 3hcf s ASP 101 CO 0.02 -0.92 1.03 0.15 -0.17 0.00 0.00 175.17 175.28 3hcf h PHE 102 N 2.30 0.13 -4.05 -5.34 3.57 -1.88 -3.01 116.94 108.65 3hcf h PHE 102 Ca -0.32 -0.06 -0.44 0.00 3.53 0.00 0.00 57.97 60.67 3hcf h PHE 102 Cb 1.26 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 3hcf h PHE 102 CO 0.33 0.83 0.34 -0.51 -2.23 0.00 0.00 178.31 177.08 3hcf s LEU 103 N -8.63 3.95 -0.07 0.59 1.43 -1.26 -4.77 118.68 109.91 3hcf s LEU 103 Ca -0.17 1.71 -0.19 0.00 -1.03 0.00 0.00 54.13 54.45 3hcf s LEU 103 Cb 0.00 -4.52 -0.30 0.00 0.03 0.00 0.00 46.19 41.40 3hcf s LEU 103 CO 0.71 -0.38 0.75 -0.08 0.23 0.00 0.00 176.35 177.59 3hcf h GLU 104 N 1.93 0.28 -0.89 1.70 4.81 -1.99 -3.00 114.58 117.42 3hcf h GLU 104 Ca -0.49 -0.47 0.24 0.00 -0.13 0.00 0.00 59.36 58.51 3hcf h GLU 104 Cb 1.18 0.18 -0.15 0.00 0.63 0.00 0.00 28.75 30.59 3hcf h GLU 104 CO 0.61 1.23 0.13 -0.39 -0.73 0.00 0.00 179.01 179.86 3hcf h VAL 105 N -0.35 0.22 0.13 0.32 -1.51 -1.98 0.92 116.25 114.00 3hcf h VAL 105 Ca -0.21 -0.04 -0.01 0.00 -1.23 0.00 0.00 66.70 65.21 3hcf h VAL 105 Cb 1.69 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 3hcf h VAL 105 CO 0.11 0.02 -0.06 0.78 -1.23 0.00 0.00 177.57 177.19 3hcf h ASN 106 N 0.12 -0.15 -0.73 4.19 -0.26 -1.94 -0.83 115.58 115.97 3hcf h ASN 106 Ca 0.55 -0.02 0.13 0.00 -0.56 0.00 0.00 56.30 56.40 3hcf h ASN 106 Cb 1.11 0.04 -0.09 0.00 -1.06 0.00 0.00 38.32 38.32 3hcf h ASN 106 CO -0.74 -0.08 0.29 0.03 -1.06 0.00 0.00 177.43 175.86 3hcf h ARG 107 N -0.21 0.42 -0.47 0.81 3.08 0.03 -1.18 114.38 116.86 3hcf h ARG 107 Ca -0.02 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3hcf h ARG 107 Cb 0.16 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3hcf h ARG 107 CO 0.03 0.28 0.27 1.96 -1.07 0.00 0.00 179.97 181.44 3hcf h GLN 108 N 0.44 0.53 -0.98 0.04 4.20 0.78 -2.01 115.11 118.10 3hcf h GLN 108 Ca 0.40 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 59.15 3hcf h GLN 108 Cb 0.59 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.18 3hcf h GLN 108 CO -0.39 0.35 0.63 1.49 -0.67 0.00 0.00 178.83 180.24 3hcf h GLU 109 N 0.55 1.08 -0.63 1.46 4.57 -0.02 0.92 114.58 122.51 3hcf h GLU 109 Ca 0.19 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.23 3hcf h GLU 109 Cb 0.02 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 3hcf h GLU 109 CO -0.09 0.71 0.11 -0.07 -1.18 0.00 0.00 179.01 178.49 3hcf h LEU 110 N 1.11 0.97 -1.29 1.64 3.38 -1.01 -2.23 115.31 117.88 3hcf h LEU 110 Ca 0.44 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.30 3hcf h LEU 110 Cb 0.23 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 3hcf h LEU 110 CO -0.19 0.96 0.55 1.23 0.09 0.00 0.00 178.44 181.07 3hcf h GLY 111 N 1.04 1.15 0.84 0.83 0.00 -0.17 0.91 103.07 107.67 3hcf h GLY 111 Ca 0.20 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3hcf h GLY 111 CO 0.01 0.17 0.03 3.21 0.00 0.00 0.00 176.54 179.96 3hcf h ARG 112 N 0.78 0.34 -0.38 4.80 2.47 -0.43 -2.36 114.38 119.59 3hcf h ARG 112 Ca 0.39 -0.09 -0.07 0.00 -1.26 0.00 0.00 59.98 58.94 3hcf h ARG 112 Cb 0.48 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.74 3hcf h ARG 112 CO -0.16 0.50 -0.07 2.35 0.56 0.00 0.00 179.97 183.15 3hcf h TRP 113 N 0.13 0.70 -0.62 3.04 7.01 -0.74 -2.77 115.95 122.70 3hcf h TRP 113 Ca 0.06 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 3hcf h TRP 113 Cb 0.33 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 3hcf h TRP 113 CO 0.02 0.71 0.35 -0.07 -2.79 0.00 0.00 178.44 176.66 3hcf h LEU 114 N 0.60 0.77 0.00 0.65 3.38 -0.73 -1.86 115.31 118.12 3hcf h LEU 114 Ca 0.11 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hcf h LEU 114 Cb 0.49 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hcf h LEU 114 CO 0.03 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.19 3hcf n GLN 115 N -4.57 0.69 -3.08 1.13 6.02 -0.90 -4.85 117.38 111.82 3hcf n GLN 115 Ca 0.04 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.83 3hcf n GLN 115 Cb 0.08 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 29.96 3hcf n GLN 115 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3hcf n GLU 116 N -0.88 -3.27 -2.31 -1.09 2.13 -0.70 -4.91 120.64 109.61 3hcf n GLU 116 Ca 0.13 0.55 -0.35 0.00 0.66 0.00 0.00 57.16 58.14 3hcf n GLU 116 Cb 0.06 -5.24 -0.01 0.00 0.27 0.00 0.00 31.44 26.52 3hcf n GLU 116 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3hcf s GLU 117 N -5.72 3.55 0.13 5.31 2.02 -1.10 -4.97 118.70 117.92 3hcf s GLU 117 Ca 0.28 1.62 -0.06 0.00 0.02 0.00 0.00 54.97 56.83 3hcf s GLU 117 Cb -0.15 -2.14 -0.10 0.00 0.10 0.00 0.00 34.13 31.84 3hcf s GLU 117 CO 0.35 -0.69 1.31 -1.35 0.02 0.00 0.00 175.26 174.90 3hcf h PRO 118 N 1.52 0.49 -0.80 0.39 0.11 -1.91 -2.77 132.00 129.04 3hcf h PRO 118 Ca -0.50 -0.50 0.23 0.00 0.11 0.00 0.00 66.00 65.35 3hcf h PRO 118 Cb 1.25 0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.46 3hcf h PRO 118 CO 0.58 1.14 0.78 0.78 -0.21 0.00 0.00 178.00 181.07 3hcf h GLY 119 N 1.05 0.00 -1.04 -0.55 0.00 -1.96 -3.44 103.07 97.13 3hcf h GLY 119 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.84 3hcf h GLY 119 CO 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.64 3hcf s ALA 120 N -4.65 -0.76 0.44 3.60 0.00 -1.05 -5.00 121.76 114.36 3hcf s ALA 120 Ca -0.04 -0.43 -0.18 0.00 0.00 0.00 0.00 51.96 51.31 3hcf s ALA 120 Cb 0.17 -3.12 -0.09 0.00 0.00 0.00 0.00 23.12 20.08 3hcf s ALA 120 CO 0.59 -4.27 0.93 0.12 0.00 0.00 0.00 175.76 173.13 3hcf s PHE 121 N -2.34 3.38 -0.46 0.00 5.36 -1.26 -5.03 117.98 117.62 3hcf s PHE 121 Ca 0.69 1.48 -0.13 0.00 -0.96 0.00 0.00 56.93 58.00 3hcf s PHE 121 Cb -0.21 -2.77 0.08 0.00 -0.34 0.00 0.00 43.02 39.78 3hcf s PHE 121 CO 0.62 -0.17 0.35 1.21 -1.46 0.00 0.00 175.22 175.77 3hcf s ASN 122 N -2.56 5.98 0.00 6.13 2.47 -1.26 -4.91 114.94 120.79 3hcf s ASN 122 Ca 0.59 -1.40 0.22 0.00 0.42 0.00 0.00 52.86 52.69 3hcf s ASN 122 Cb -0.10 -2.12 0.59 0.00 -1.45 0.00 0.00 41.25 38.18 3hcf s ASN 122 CO 0.21 -0.62 1.47 0.79 -3.72 0.00 0.00 177.10 175.23 3hcf n TRP 123 N 5.11 0.32 -0.16 0.43 7.02 -1.26 -4.57 117.44 124.33 3hcf n TRP 123 Ca -0.12 -0.16 0.06 0.00 -1.02 0.00 0.00 57.50 56.26 3hcf n TRP 123 Cb 0.43 0.00 0.36 0.00 -2.42 0.00 0.00 31.31 29.68 3hcf n TRP 123 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3hcf h SER 124 N 3.22 0.65 -0.65 -0.99 4.64 -1.98 -0.20 113.55 118.23 3hcf h SER 124 Ca 0.00 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hcf h SER 124 Cb 0.71 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 3hcf h SER 124 CO 0.00 0.43 0.40 0.24 -0.87 0.00 0.00 176.83 177.03 3hcf h MET 125 N 0.75 0.88 -0.12 4.77 2.86 -1.99 0.72 114.93 122.80 3hcf h MET 125 Ca 0.29 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.76 3hcf h MET 125 Cb 0.19 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3hcf h MET 125 CO -0.09 0.62 -0.28 1.88 1.06 0.00 0.00 176.91 180.10 3hcf h TYR 126 N 0.90 0.52 -0.52 -0.22 -1.99 -1.47 -1.29 116.97 112.91 3hcf h TYR 126 Ca 0.24 -0.20 0.06 0.00 2.00 0.00 0.00 58.73 60.83 3hcf h TYR 126 Cb -0.05 -0.09 -0.05 0.00 2.00 0.00 0.00 36.73 38.54 3hcf h TYR 126 CO 0.00 0.90 0.24 0.77 -0.00 0.00 0.00 178.16 180.07 3hcf h SER 127 N -0.01 0.31 -0.42 3.88 0.02 -0.45 0.30 113.55 117.18 3hcf h SER 127 Ca -0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3hcf h SER 127 Cb 0.88 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 3hcf h SER 127 CO 0.06 0.21 0.25 -0.61 -1.14 0.00 0.00 176.83 175.61 3hcf h GLN 128 N 0.46 0.56 -0.61 3.45 5.75 0.43 -1.53 115.11 123.62 3hcf h GLN 128 Ca 0.24 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.61 3hcf h GLN 128 Cb 0.19 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 3hcf h GLN 128 CO -0.19 0.41 0.08 1.25 -2.65 0.00 0.00 178.83 177.72 3hcf h HIS 129 N 0.55 1.08 -0.80 3.99 2.76 -0.66 0.25 115.15 122.33 3hcf h HIS 129 Ca 0.15 -0.15 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 3hcf h HIS 129 Cb -0.01 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 28.61 3hcf h HIS 129 CO -0.04 0.92 0.52 0.00 -1.30 0.00 0.00 177.93 178.04 3hcf h ALA 130 N 1.12 1.01 -0.56 5.26 0.00 -0.17 -1.91 119.26 124.01 3hcf h ALA 130 Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3hcf h ALA 130 Cb 0.44 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hcf h ALA 130 CO 0.01 0.43 0.17 0.00 0.00 0.00 0.00 179.25 179.87 3hcf h LEU 132 N 0.79 0.03 0.00 0.00 5.85 0.14 -2.77 115.31 119.35 3hcf h LEU 132 Ca 0.18 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hcf h LEU 132 Cb 0.29 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3hcf h LEU 132 CO -0.00 0.10 -1.11 2.30 -0.34 0.00 0.00 178.44 179.38 3hcf n ILE 133 N -4.44 0.00 0.13 4.05 -5.35 -0.78 -4.06 119.36 108.91 3hcf n ILE 133 Ca -0.02 -0.20 -0.01 0.00 -0.27 0.00 0.00 62.75 62.24 3hcf n ILE 133 Cb 0.16 0.71 0.13 0.00 -1.74 0.00 0.00 39.64 38.90 3hcf n ILE 133 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3hcf h GLU 134 N 0.00 0.00 -1.54 6.28 5.08 -1.06 -3.48 114.58 119.86 3hcf h GLU 134 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3hcf h GLU 134 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3hcf h GLU 134 CO 0.00 0.65 -0.23 0.41 -1.00 0.00 0.00 179.01 178.84 3hcf n GLY 135 N 0.51 0.09 0.75 -3.84 0.00 -1.06 -4.92 105.19 96.72 3hcf n GLY 135 Ca -0.01 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.60 3hcf n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hcf n LYS 136 N -1.90 2.41 -4.39 1.61 4.76 -1.26 -4.96 118.16 114.42 3hcf n LYS 136 Ca -0.08 -2.84 -0.39 0.00 -2.87 0.00 0.00 58.31 52.13 3hcf n LYS 136 Cb 0.57 -1.77 -0.06 0.00 -1.84 0.00 0.00 35.03 31.93 3hcf n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hcf n GLY 137 N -0.80 -0.39 3.80 0.72 0.00 -1.26 -4.93 105.19 102.33 3hcf n GLY 137 Ca 0.22 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 3hcf n GLY 137 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hcf s GLU 138 N -7.12 4.37 0.16 1.61 2.12 -1.26 -5.06 118.70 113.52 3hcf s GLU 138 Ca 0.72 1.13 -0.09 0.00 0.36 0.00 0.00 54.97 57.08 3hcf s GLU 138 Cb -0.41 -2.58 -0.06 0.00 0.26 0.00 0.00 34.13 31.34 3hcf s GLU 138 CO 0.99 0.19 0.48 0.00 -0.54 0.00 0.00 175.26 176.37 3hcf h TRP 140 N 3.06 0.46 0.00 0.00 5.08 -1.94 -0.57 115.95 122.04 3hcf h TRP 140 Ca -0.47 -0.09 -0.07 0.00 1.08 0.00 0.00 58.89 59.34 3hcf h TRP 140 Cb 1.18 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 27.21 3hcf h TRP 140 CO 0.63 0.61 -0.31 1.96 -1.28 0.00 0.00 178.44 180.05 3hcf h GLN 141 N 0.38 0.00 -0.40 0.12 7.50 -1.95 0.22 115.11 120.97 3hcf h GLN 141 Ca 0.06 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.08 3hcf h GLN 141 Cb 0.59 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.11 3hcf h GLN 141 CO 0.04 0.31 -0.28 -0.44 -1.50 0.00 0.00 178.83 176.96 3hcf h ASP 142 N 0.00 0.94 -0.35 1.46 3.32 -1.56 -2.08 116.42 118.15 3hcf h ASP 142 Ca -0.00 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 3hcf h ASP 142 Cb 0.55 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3hcf h ASP 142 CO 0.04 1.17 0.18 0.50 -1.72 0.00 0.00 179.24 179.41 3hcf h LYS 143 N 0.72 0.49 0.00 3.56 1.63 -0.14 -1.46 116.57 121.38 3hcf h LYS 143 Ca 0.08 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3hcf h LYS 143 Cb 0.86 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 3hcf h LYS 143 CO 0.08 0.43 0.00 0.93 -3.45 0.00 0.00 179.45 177.44 3hcf h GLU 144 N 0.43 0.00 0.00 1.90 5.08 -0.53 -2.04 114.58 119.43 3hcf h GLU 144 Ca 0.12 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.20 3hcf h GLU 144 Cb 0.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 3hcf h GLU 144 CO -0.02 0.00 -1.70 -2.13 -1.00 0.00 0.00 179.01 174.16 3hcf n ARG 145 N -2.45 0.63 -0.06 2.33 0.63 -0.79 -2.70 116.66 114.25 3hcf n ARG 145 Ca 0.02 0.29 -0.10 0.00 -0.92 0.00 0.00 57.85 57.14 3hcf n ARG 145 Cb 0.27 -1.79 0.05 0.00 0.45 0.00 0.00 32.46 31.44 3hcf n ARG 145 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 3hcf h GLN 146 N 0.00 0.74 0.14 -0.14 4.15 -0.84 -2.89 115.11 116.27 3hcf h GLN 146 Ca -0.28 -0.38 -0.01 0.00 0.77 0.00 0.00 58.65 58.75 3hcf h GLN 146 Cb 1.99 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.69 3hcf h GLN 146 CO 0.08 1.00 -0.07 1.25 -1.93 0.00 0.00 178.83 179.16 3hcf h LEU 147 N 0.61 -0.16 -2.31 -2.39 5.85 -1.42 -2.56 115.31 112.93 3hcf h LEU 147 Ca 0.05 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.53 3hcf h LEU 147 Cb 0.93 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 3hcf h LEU 147 CO 0.09 0.20 0.13 0.03 -0.34 0.00 0.00 178.44 178.55 3hcf h ARG 148 N -0.54 0.00 0.09 1.25 3.08 -1.57 -1.61 114.38 115.08 3hcf h ARG 148 Ca -0.02 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.78 3hcf h ARG 148 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3hcf h ARG 148 CO 0.03 0.00 -1.16 0.00 -1.07 0.00 0.00 179.97 177.77 3hcf h ALA 149 N 1.85 0.18 0.00 0.04 0.00 -1.29 -3.35 119.26 116.70 3hcf h ALA 149 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3hcf h ALA 149 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hcf h ALA 149 CO -0.00 1.03 -1.38 0.54 0.00 0.00 0.00 179.25 179.44 3hcf n ARG 150 N -3.50 0.58 -2.07 0.00 1.74 -0.67 -4.70 116.66 108.04 3hcf n ARG 150 Ca -0.06 -0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.57 3hcf n ARG 150 Cb 0.99 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.72 3hcf n ARG 150 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hcf s VAL 151 N -3.40 3.58 -1.93 1.55 1.01 -0.79 -1.00 120.40 119.42 3hcf s VAL 151 Ca -0.03 0.60 0.23 0.00 0.00 0.00 0.00 61.98 62.78 3hcf s VAL 151 Cb 0.12 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3hcf s VAL 151 CO 0.84 -0.43 1.10 0.29 0.00 0.00 0.00 175.10 176.90 3hcf n LYS 152 N 8.20 1.09 0.00 2.72 4.76 -0.36 -4.93 118.16 129.63 3hcf n LYS 152 Ca 0.21 -0.89 0.00 0.00 -2.87 0.00 0.00 58.31 54.76 3hcf n LYS 152 Cb 0.46 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 3hcf n LYS 152 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3hcf n ARG 153 N -0.18 0.00 -4.07 1.97 1.85 -1.26 -5.06 116.66 109.91 3hcf n ARG 153 Ca 0.09 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.62 3hcf n ARG 153 Cb 0.45 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.71 3hcf n ARG 153 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3hcf s VAL 154 N -2.00 2.17 0.09 8.89 1.01 -1.26 -2.04 120.40 127.27 3hcf s VAL 154 Ca 0.00 -1.63 0.07 0.00 0.00 0.00 0.00 61.98 60.42 3hcf s VAL 154 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3hcf s VAL 154 CO 0.00 -0.02 -0.13 -0.76 0.00 0.00 0.00 175.10 174.19 3hcf s LEU 155 N 1.10 2.90 0.37 3.92 1.43 -0.01 -4.96 118.68 123.44 3hcf s LEU 155 Ca -0.09 -0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 52.33 3hcf s LEU 155 Cb -0.20 -1.71 -0.09 0.00 0.03 0.00 0.00 46.19 44.22 3hcf s LEU 155 CO -0.05 0.20 1.12 -2.84 0.23 0.00 0.00 176.35 175.01 3hcf s PRO 156 N -2.03 4.23 -0.05 1.29 0.02 -1.26 -1.68 135.00 135.53 3hcf s PRO 156 Ca 0.19 1.75 -0.07 0.00 0.02 0.00 0.00 61.00 62.90 3hcf s PRO 156 Cb -0.11 -2.77 0.01 0.00 0.02 0.00 0.00 34.50 31.65 3hcf s PRO 156 CO 0.11 -0.14 0.18 -1.50 -0.33 0.00 0.00 177.00 175.32 3hcf s ILE 157 N -1.41 0.02 -0.26 2.83 2.07 -1.14 -4.71 121.20 118.61 3hcf s ILE 157 Ca 0.54 -0.16 -0.01 0.00 -1.41 0.00 0.00 60.65 59.61 3hcf s ILE 157 Cb -0.29 -0.31 0.08 0.00 0.13 0.00 0.00 42.46 42.08 3hcf s ILE 157 CO 0.36 -0.09 0.05 -0.62 -1.91 0.00 0.00 174.94 172.74 3hcf s ASP 158 N -0.25 3.59 0.55 4.50 -1.08 -0.15 -3.73 116.67 120.10 3hcf s ASP 158 Ca -0.03 -1.26 0.37 0.00 -0.52 0.00 0.00 52.55 51.10 3hcf s ASP 158 Cb -0.03 -0.81 1.85 0.00 -1.46 0.00 0.00 42.92 42.47 3hcf s ASP 158 CO 0.01 -0.35 2.11 -0.37 0.52 0.00 0.00 175.17 177.09 3hcf h VAL 159 N 6.53 0.00 0.06 1.11 -1.51 -1.95 -2.67 116.25 117.82 3hcf h VAL 159 Ca -0.15 -0.15 -0.25 0.00 -1.23 0.00 0.00 66.70 64.92 3hcf h VAL 159 Cb 1.06 1.04 -0.02 0.00 -2.13 0.00 0.00 31.29 31.24 3hcf h VAL 159 CO 0.41 0.00 -1.18 0.45 -1.23 0.00 0.00 177.57 176.02 3hcf h HIS 160 N 0.00 0.24 -3.84 5.19 3.86 -1.93 -3.40 115.15 115.27 3hcf h HIS 160 Ca 0.00 -0.18 -0.56 0.00 -1.16 0.00 0.00 60.37 58.48 3hcf h HIS 160 Cb 0.16 -0.01 0.14 0.00 1.06 0.00 0.00 27.41 28.76 3hcf h HIS 160 CO 0.00 1.15 0.49 1.04 0.86 0.00 0.00 177.93 181.47 3hcf n GLN 161 N -3.42 1.58 0.27 2.45 1.13 -1.01 -4.91 117.38 113.48 3hcf n GLN 161 Ca -0.06 0.58 0.14 0.00 -1.94 0.00 0.00 57.00 55.72 3hcf n GLN 161 Cb 0.99 -2.46 0.74 0.00 0.11 0.00 0.00 30.24 29.62 3hcf n GLN 161 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3hcf h PRO 162 N 1.37 0.00 -3.79 -1.09 0.11 -1.87 -3.29 132.00 123.44 3hcf h PRO 162 Ca -0.50 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 64.97 3hcf h PRO 162 Cb 1.31 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 32.02 3hcf h PRO 162 CO 0.56 0.11 -0.67 -0.65 -0.21 0.00 0.00 178.00 177.14 3hcf s GLN 163 N -4.08 1.72 0.39 1.05 -0.21 -1.26 -4.84 119.66 112.43 3hcf s GLN 163 Ca -0.02 -2.29 0.28 0.00 0.02 0.00 0.00 55.36 53.35 3hcf s GLN 163 Cb 0.12 -3.17 1.35 0.00 1.00 0.00 0.00 33.01 32.31 3hcf s GLN 163 CO 0.57 -1.05 1.84 -1.35 -2.12 0.00 0.00 175.29 173.17 3hcf h PRO 164 N 6.93 0.00 0.00 2.91 0.11 -1.74 -1.62 132.00 138.60 3hcf h PRO 164 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3hcf h PRO 164 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3hcf h PRO 164 CO 0.61 0.00 -1.46 1.28 -0.21 0.00 0.00 178.00 178.22 3hcf n LEU 165 N -2.50 0.48 0.00 2.35 4.77 -1.26 -0.98 117.00 119.87 3hcf n LEU 165 Ca -0.00 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 3hcf n LEU 165 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3hcf n LEU 165 CO 0.17 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3hcf n GLY 166 N 1.39 -2.12 3.63 -0.72 0.00 -0.61 -4.82 105.19 101.94 3hcf n GLY 166 Ca 0.00 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 3hcf n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hcf s ALA 167 N -1.64 3.11 -1.41 4.61 0.00 -1.26 -4.37 121.76 120.80 3hcf s ALA 167 Ca 0.00 -1.10 -0.09 0.00 0.00 0.00 0.00 51.96 50.77 3hcf s ALA 167 Cb 0.00 -1.11 0.06 0.00 0.00 0.00 0.00 23.12 22.07 3hcf s ALA 167 CO 0.00 0.65 0.62 0.41 0.00 0.00 0.00 175.76 177.44 3hcf n GLY 168 N 1.04 -0.50 3.79 0.00 0.00 -1.26 -4.92 105.19 103.34 3hcf n GLY 168 Ca -0.13 0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3hcf n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hcf s SER 169 N -2.82 7.01 0.18 1.61 1.04 -1.26 -4.96 113.70 114.50 3hcf s SER 169 Ca 0.42 1.86 -0.16 0.00 0.48 0.00 0.00 55.95 58.55 3hcf s SER 169 Cb -0.21 -2.57 0.12 0.00 0.10 0.00 0.00 66.02 63.46 3hcf s SER 169 CO 0.52 -0.31 1.66 -0.65 0.98 0.00 0.00 173.24 175.44 3hcf h PRO 170 N 2.56 -0.01 -4.88 4.02 0.11 -1.94 -3.44 132.00 128.42 3hcf h PRO 170 Ca -0.48 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.95 3hcf h PRO 170 Cb 1.20 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.33 3hcf h PRO 170 CO 0.63 -0.01 0.34 0.00 -0.21 0.00 0.00 178.00 178.76 3hcf n ALA 171 N -2.79 -1.94 -1.79 -0.75 0.00 -1.26 -4.74 120.51 107.24 3hcf n ALA 171 Ca 0.03 0.44 -0.37 0.00 0.00 0.00 0.00 53.44 53.55 3hcf n ALA 171 Cb 0.25 -1.51 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 3hcf n ALA 171 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hcf s PRO 172 N 1.41 2.34 0.08 0.00 0.02 -1.26 -4.95 135.00 132.64 3hcf s PRO 172 Ca 0.81 0.98 0.04 0.00 0.02 0.00 0.00 61.00 62.84 3hcf s PRO 172 Cb -1.14 -4.51 -0.04 0.00 0.02 0.00 0.00 34.50 28.83 3hcf s PRO 172 CO 0.58 -3.06 0.06 -0.51 -0.33 0.00 0.00 177.00 173.74 3hcf s LEU 173 N 10.78 3.72 0.35 -5.54 1.43 -1.26 -3.59 118.68 124.57 3hcf s LEU 173 Ca 0.83 -0.05 -0.25 0.00 -1.03 0.00 0.00 54.13 53.62 3hcf s LEU 173 Cb -0.15 -2.41 -0.10 0.00 0.03 0.00 0.00 46.19 43.56 3hcf s LEU 173 CO 0.23 0.17 0.96 -2.16 0.23 0.00 0.00 176.35 175.77 3hcf s PRO 174 N -2.39 4.48 0.60 1.29 0.04 -1.26 -5.12 135.00 132.63 3hcf s PRO 174 Ca 0.28 1.32 -0.16 0.00 0.04 0.00 0.00 61.00 62.49 3hcf s PRO 174 Cb -0.12 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 3hcf s PRO 174 CO 0.21 0.18 1.07 0.00 0.04 0.00 0.00 177.00 178.50 3hcf s ALA 175 N -1.70 2.71 -0.53 8.56 0.00 0.81 -4.62 121.76 126.99 3hcf s ALA 175 Ca 0.53 0.44 0.24 0.00 0.00 0.00 0.00 51.96 53.17 3hcf s ALA 175 Cb -0.18 -3.25 0.48 0.00 0.00 0.00 0.00 23.12 20.17 3hcf s ALA 175 CO 0.23 -0.85 1.62 -0.44 0.00 0.00 0.00 175.76 176.32 3hcf h ASP 176 N 0.46 0.00 -5.02 0.00 5.19 -1.40 -2.16 116.42 113.50 3hcf h ASP 176 Ca -0.47 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 55.88 3hcf h ASP 176 Cb 1.23 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.59 3hcf h ASP 176 CO 0.57 0.00 0.09 0.00 -3.12 0.00 0.00 179.24 176.78 3hcf s ALA 177 N -3.18 -1.39 -0.01 3.45 0.00 -0.95 -2.86 121.76 116.82 3hcf s ALA 177 Ca 0.08 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.65 3hcf s ALA 177 Cb 0.08 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 3hcf s ALA 177 CO 0.65 -0.58 -0.20 -0.51 0.00 0.00 0.00 175.76 175.12 3hcf s LEU 178 N -2.22 2.06 0.15 0.00 1.43 0.72 -1.79 118.68 119.02 3hcf s LEU 178 Ca -0.03 -0.38 0.11 0.00 -1.03 0.00 0.00 54.13 52.80 3hcf s LEU 178 Cb -0.00 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 3hcf s LEU 178 CO -0.05 0.23 -0.26 -0.69 0.23 0.00 0.00 176.35 175.82 3hcf s VAL 179 N -0.51 2.32 -0.29 -1.59 1.01 -0.31 -0.69 120.40 120.34 3hcf s VAL 179 Ca 0.08 -1.81 -0.15 0.00 0.00 0.00 0.00 61.98 60.09 3hcf s VAL 179 Cb -0.08 -2.05 0.14 0.00 0.00 0.00 0.00 36.38 34.39 3hcf s VAL 179 CO -0.00 0.04 0.91 -0.55 0.00 0.00 0.00 175.10 175.49 3hcf s SER 180 N -2.22 -0.66 -0.10 3.32 0.15 -0.55 0.31 113.70 113.95 3hcf s SER 180 Ca 0.16 0.98 0.01 0.00 0.70 0.00 0.00 55.95 57.80 3hcf s SER 180 Cb -0.09 1.49 0.02 0.00 -1.71 0.00 0.00 66.02 65.73 3hcf s SER 180 CO 0.07 -0.15 -0.12 0.00 1.20 0.00 0.00 173.24 174.24 3hcf s ALA 181 N 1.90 1.46 -1.48 5.45 0.00 -1.25 -0.50 121.76 127.34 3hcf s ALA 181 Ca -0.07 -0.59 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 3hcf s ALA 181 Cb -0.05 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.32 3hcf s ALA 181 CO -0.17 -0.11 0.69 1.19 0.00 0.00 0.00 175.76 177.36 3hcf n PHE 182 N 4.29 -2.09 -0.01 0.00 3.01 0.40 -4.92 117.46 118.14 3hcf n PHE 182 Ca -0.19 0.61 -0.01 0.00 1.01 0.00 0.00 57.45 58.88 3hcf n PHE 182 Cb 0.51 -4.22 -0.00 0.00 -0.01 0.00 0.00 39.48 35.76 3hcf n PHE 182 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hcf h LEU 184 N -0.09 -1.47 0.00 0.00 3.38 -1.91 0.27 115.31 115.49 3hcf h LEU 184 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hcf h LEU 184 Cb 0.09 0.55 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3hcf h LEU 184 CO 0.00 -0.49 0.00 -1.84 0.09 0.00 0.00 178.44 176.20 3hcf n GLU 185 N -5.17 0.10 0.00 1.13 0.00 -1.26 -2.28 120.64 113.17 3hcf n GLU 185 Ca -0.07 0.20 0.04 0.00 0.00 0.00 0.00 57.16 57.32 3hcf n GLU 185 Cb 0.37 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.30 3hcf n GLU 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hcf n ALA 186 N -1.25 2.74 -0.25 -1.84 0.00 0.89 -2.92 120.51 117.88 3hcf n ALA 186 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3hcf n ALA 186 Cb 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3hcf n ALA 186 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hcf n VAL 187 N -0.36 0.60 -4.58 0.00 0.24 -0.84 -4.78 118.33 108.61 3hcf n VAL 187 Ca 0.03 -0.67 -0.33 0.00 -2.04 0.00 0.00 64.34 61.33 3hcf n VAL 187 Cb 0.16 0.75 -0.14 0.00 -1.47 0.00 0.00 33.84 33.15 3hcf n VAL 187 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3hcf s SER 188 N -0.60 4.21 0.37 -1.34 0.01 -1.05 -4.93 113.70 110.38 3hcf s SER 188 Ca 0.00 -0.29 0.26 0.00 1.31 0.00 0.00 55.95 57.22 3hcf s SER 188 Cb 0.00 -1.66 0.72 0.00 0.21 0.00 0.00 66.02 65.29 3hcf s SER 188 CO 0.00 0.14 1.73 -0.65 0.41 0.00 0.00 173.24 174.88 3hcf h PRO 189 N 6.88 0.00 -2.85 12.44 0.11 -1.91 -3.21 132.00 143.45 3hcf h PRO 189 Ca -0.29 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.88 3hcf h PRO 189 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3hcf h PRO 189 CO 0.58 0.00 0.33 0.16 -0.21 0.00 0.00 178.00 178.86 3hcf s ASP 190 N -5.43 -0.09 0.51 -2.05 3.84 -1.26 -4.64 116.67 107.55 3hcf s ASP 190 Ca 0.07 -0.84 0.22 0.00 -0.00 0.00 0.00 52.55 52.00 3hcf s ASP 190 Cb 0.08 0.72 1.37 0.00 -1.38 0.00 0.00 42.92 43.72 3hcf s ASP 190 CO 0.60 -1.40 2.10 0.25 -0.00 0.00 0.00 175.17 176.72 3hcf h LEU 191 N 2.00 0.00 0.14 2.11 5.85 -1.93 0.45 115.31 123.93 3hcf h LEU 191 Ca -0.27 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.15 3hcf h LEU 191 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3hcf h LEU 191 CO 0.33 0.10 -1.46 0.00 -0.34 0.00 0.00 178.44 177.07 3hcf h ALA 192 N 1.90 0.16 -0.40 1.25 0.00 -1.97 -0.93 119.26 119.26 3hcf h ALA 192 Ca -0.00 -1.01 0.02 0.00 0.00 0.00 0.00 54.91 53.91 3hcf h ALA 192 Cb 0.22 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3hcf h ALA 192 CO 0.01 1.03 0.24 1.03 0.00 0.00 0.00 179.25 181.56 3hcf h SER 193 N 0.08 0.39 0.12 0.00 0.87 -1.76 0.24 113.55 113.50 3hcf h SER 193 Ca -0.22 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.36 3hcf h SER 193 Cb 2.03 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 63.88 3hcf h SER 193 CO 0.19 0.28 -0.23 0.15 -0.53 0.00 0.00 176.83 176.70 3hcf h PHE 194 N 0.49 -0.60 -0.58 2.24 3.57 -0.96 -0.47 116.94 120.63 3hcf h PHE 194 Ca 0.16 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3hcf h PHE 194 Cb 0.00 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3hcf h PHE 194 CO -0.07 -0.33 0.38 0.37 -2.23 0.00 0.00 178.31 176.44 3hcf h GLN 195 N -0.43 0.73 0.05 1.11 5.75 -0.74 -0.02 115.11 121.57 3hcf h GLN 195 Ca 0.03 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3hcf h GLN 195 Cb 0.44 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.83 3hcf h GLN 195 CO -0.12 0.49 -0.02 0.00 -2.65 0.00 0.00 178.83 176.52 3hcf h ARG 196 N 0.76 -0.06 -0.66 1.69 3.08 -0.16 -2.27 114.38 116.76 3hcf h ARG 196 Ca 0.22 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.42 3hcf h ARG 196 Cb -0.05 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 3hcf h ARG 196 CO -0.05 0.43 0.45 0.00 -1.07 0.00 0.00 179.97 179.74 3hcf h ALA 197 N 0.32 2.29 -0.72 0.04 0.00 -0.77 0.37 119.26 120.79 3hcf h ALA 197 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3hcf h ALA 197 Cb 0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3hcf h ALA 197 CO 0.01 -0.47 0.18 1.25 0.00 0.00 0.00 179.25 180.22 3hcf h LEU 198 N 0.23 1.08 -0.38 0.00 5.85 -0.76 -2.22 115.31 119.11 3hcf h LEU 198 Ca 0.32 -0.23 -0.18 0.00 0.84 0.00 0.00 57.88 58.63 3hcf h LEU 198 Cb 0.93 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 3hcf h LEU 198 CO -0.07 1.03 -0.54 0.44 -0.34 0.00 0.00 178.44 178.96 3hcf h ASP 199 N 1.09 0.85 -0.17 1.25 3.32 0.14 -2.62 116.42 120.28 3hcf h ASP 199 Ca 0.23 -0.45 0.03 0.00 0.02 0.00 0.00 57.03 56.85 3hcf h ASP 199 Cb 0.37 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3hcf h ASP 199 CO 0.00 1.22 -0.01 0.45 -1.72 0.00 0.00 179.24 179.18 3hcf h HIS 200 N 0.59 -0.03 -0.02 4.55 3.86 -0.48 -2.62 115.15 121.00 3hcf h HIS 200 Ca 0.01 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 3hcf h HIS 200 Cb 1.13 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 3hcf h HIS 200 CO 0.06 -0.04 -0.37 -0.84 0.86 0.00 0.00 177.93 177.60 3hcf h ILE 201 N 0.04 1.27 0.00 2.45 3.07 -1.42 -2.58 117.51 120.34 3hcf h ILE 201 Ca 0.08 -1.30 0.00 0.00 1.55 0.00 0.00 64.86 65.18 3hcf h ILE 201 Cb 0.10 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.33 3hcf h ILE 201 CO -0.15 0.38 0.00 0.41 -1.05 0.00 0.00 178.15 177.74 3hcf n THR 202 N -4.09 1.02 0.30 0.16 -1.04 -0.99 -0.54 114.28 109.10 3hcf n THR 202 Ca -0.02 0.69 0.13 0.00 -2.04 0.00 0.00 64.05 62.81 3hcf n THR 202 Cb 0.41 -1.68 0.32 0.00 -1.82 0.00 0.00 70.33 67.56 3hcf n THR 202 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3hcf h THR 203 N 0.00 0.00 -0.00 12.58 1.35 -1.42 -2.89 112.91 122.53 3hcf h THR 203 Ca 0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3hcf h THR 203 Cb 0.04 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 3hcf h THR 203 CO 0.00 0.00 -0.08 0.18 -0.25 0.00 0.00 175.52 175.37 3hcf n LEU 204 N -2.92 0.17 -4.33 3.87 4.77 0.30 -4.80 117.00 114.04 3hcf n LEU 204 Ca 0.04 0.26 -0.35 0.00 -0.03 0.00 0.00 56.01 55.92 3hcf n LEU 204 Cb 0.46 -0.33 -0.14 0.00 -2.33 0.00 0.00 43.42 41.09 3hcf n LEU 204 CO 0.31 0.03 -0.36 -0.22 -1.33 0.00 0.00 177.39 175.83 3hcf s LEU 205 N -2.73 3.08 0.83 2.23 2.96 -1.09 -0.13 118.68 123.84 3hcf s LEU 205 Ca 0.22 -0.40 -0.13 0.00 -0.22 0.00 0.00 54.13 53.60 3hcf s LEU 205 Cb 0.20 -1.78 0.06 0.00 0.50 0.00 0.00 46.19 45.17 3hcf s LEU 205 CO 0.51 -0.04 0.96 -2.11 -1.32 0.00 0.00 176.35 174.35 3hcf n ARG 206 N 4.82 0.04 -2.16 1.98 1.85 -0.81 -4.89 116.66 117.49 3hcf n ARG 206 Ca -0.17 0.08 -0.41 0.00 -1.00 0.00 0.00 57.85 56.35 3hcf n ARG 206 Cb 0.51 -2.24 -0.03 0.00 -1.05 0.00 0.00 32.46 29.65 3hcf n ARG 206 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3hcf s PRO 207 N -3.89 4.37 0.00 2.89 0.02 -1.26 -2.25 135.00 134.88 3hcf s PRO 207 Ca 0.69 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.84 3hcf s PRO 207 Cb -0.28 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.10 3hcf s PRO 207 CO 0.56 -0.24 0.00 0.41 -0.33 0.00 0.00 177.00 177.39 3hcf n GLY 208 N 1.83 3.39 3.75 0.52 0.00 0.25 -4.80 105.19 110.12 3hcf n GLY 208 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3hcf n GLY 208 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hcf s GLY 209 N -2.60 1.63 -0.01 -0.02 0.00 -0.95 -4.60 107.32 100.76 3hcf s GLY 209 Ca 0.00 -0.83 0.08 0.00 0.00 0.00 0.00 44.72 43.97 3hcf s GLY 209 CO 0.00 -0.10 -0.25 0.30 0.00 0.00 0.00 173.10 173.05 3hcf s HIS 210 N -3.32 2.37 -0.11 1.90 3.76 -1.14 -0.28 115.29 118.47 3hcf s HIS 210 Ca 0.69 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 55.22 3hcf s HIS 210 Cb -0.11 -1.49 0.01 0.00 1.11 0.00 0.00 32.58 32.10 3hcf s HIS 210 CO 0.54 0.02 -0.20 -1.17 -0.85 0.00 0.00 174.74 173.08 3hcf s LEU 211 N -0.75 1.98 -0.29 0.89 2.96 0.15 -0.20 118.68 123.43 3hcf s LEU 211 Ca 0.11 -0.53 -0.08 0.00 -0.22 0.00 0.00 54.13 53.41 3hcf s LEU 211 Cb -0.10 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 3hcf s LEU 211 CO -0.00 0.09 0.10 -0.76 -1.32 0.00 0.00 176.35 174.46 3hcf s LEU 212 N 0.69 3.81 -0.13 -0.68 1.43 0.14 -1.21 118.68 122.73 3hcf s LEU 212 Ca -0.11 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3hcf s LEU 212 Cb -0.16 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 3hcf s LEU 212 CO 0.02 -0.14 -0.13 -0.22 0.23 0.00 0.00 176.35 176.11 3hcf s LEU 213 N 1.58 2.74 -0.04 1.79 2.96 0.05 -1.48 118.68 126.28 3hcf s LEU 213 Ca 0.05 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.68 3hcf s LEU 213 Cb -0.16 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 3hcf s LEU 213 CO 0.04 0.17 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.43 3hcf s ILE 214 N 0.34 1.48 0.20 6.68 1.01 0.34 0.22 121.20 131.48 3hcf s ILE 214 Ca -0.11 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 59.56 3hcf s ILE 214 Cb -0.16 -1.27 0.06 0.00 0.01 0.00 0.00 42.46 41.11 3hcf s ILE 214 CO 0.06 0.43 0.95 -0.83 0.00 0.00 0.00 174.94 175.54 3hcf s GLY 215 N -0.04 -0.04 0.65 6.18 0.00 -0.78 0.15 107.32 113.45 3hcf s GLY 215 Ca -0.02 -0.16 -0.12 0.00 0.00 0.00 0.00 44.72 44.42 3hcf s GLY 215 CO 0.02 0.75 1.04 0.00 0.00 0.00 0.00 173.10 174.91 3hcf s ALA 216 N -2.83 2.87 -0.04 3.20 0.00 -1.26 -0.89 121.76 122.80 3hcf s ALA 216 Ca 0.16 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.22 3hcf s ALA 216 Cb -0.02 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 3hcf s ALA 216 CO 0.05 -0.92 -0.17 -0.51 0.00 0.00 0.00 175.76 174.20 3hcf s LEU 217 N -5.22 1.93 -1.68 0.00 1.43 -0.78 -4.71 118.68 109.64 3hcf s LEU 217 Ca 0.57 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 53.19 3hcf s LEU 217 Cb -0.13 -0.96 0.13 0.00 0.03 0.00 0.00 46.19 45.26 3hcf s LEU 217 CO 0.51 0.16 0.56 -0.62 0.23 0.00 0.00 176.35 177.19 3hcf n GLU 218 N 3.06 -2.20 -4.27 1.70 -0.58 -0.18 -2.21 120.64 115.96 3hcf n GLU 218 Ca -0.18 0.27 -0.35 0.00 -0.42 0.00 0.00 57.16 56.49 3hcf n GLU 218 Cb 0.53 -4.67 -0.09 0.00 -0.57 0.00 0.00 31.44 26.64 3hcf n GLU 218 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3hcf s GLU 219 N -7.03 3.26 -0.06 3.49 2.12 -1.26 -4.24 118.70 114.98 3hcf s GLU 219 Ca 0.53 -0.38 0.08 0.00 0.36 0.00 0.00 54.97 55.56 3hcf s GLU 219 Cb -0.30 -2.91 -0.12 0.00 0.26 0.00 0.00 34.13 31.06 3hcf s GLU 219 CO 0.96 0.59 0.09 -1.13 -0.54 0.00 0.00 175.26 175.24 3hcf n SER 220 N 2.49 2.86 -3.81 -1.70 3.41 -1.26 -2.55 113.62 113.06 3hcf n SER 220 Ca -0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.33 3hcf n SER 220 Cb 0.53 0.97 -0.06 0.00 -0.26 0.00 0.00 64.21 65.40 3hcf n SER 220 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 3hcf s TRP 221 N -2.37 0.09 -0.16 7.33 1.48 -1.26 0.15 118.94 124.21 3hcf s TRP 221 Ca -0.04 -0.46 -0.28 0.00 -1.06 0.00 0.00 56.10 54.26 3hcf s TRP 221 Cb 0.04 0.11 0.08 0.00 -1.16 0.00 0.00 33.47 32.53 3hcf s TRP 221 CO 0.37 -0.71 0.75 1.52 -4.06 0.00 0.00 176.95 174.81 3hcf s TYR 222 N -3.89 -0.67 0.10 1.66 -0.85 -0.83 -3.17 117.35 109.71 3hcf s TYR 222 Ca 0.09 1.38 -0.17 0.00 -0.52 0.00 0.00 57.07 57.86 3hcf s TYR 222 Cb 0.02 0.36 -0.07 0.00 0.38 0.00 0.00 41.96 42.66 3hcf s TYR 222 CO -0.06 -0.47 0.55 -0.51 -1.52 0.00 0.00 175.55 173.54 3hcf s LEU 223 N -0.50 4.44 -0.40 -3.49 1.43 0.13 -0.82 118.68 119.46 3hcf s LEU 223 Ca -0.05 1.17 0.11 0.00 -1.03 0.00 0.00 54.13 54.33 3hcf s LEU 223 Cb -0.02 -3.04 0.35 0.00 0.03 0.00 0.00 46.19 43.50 3hcf s LEU 223 CO 0.05 0.20 0.76 0.00 0.23 0.00 0.00 176.35 177.59 3hcf n ALA 224 N 1.33 2.41 0.00 4.21 0.00 -0.08 -4.75 120.51 123.62 3hcf n ALA 224 Ca -0.08 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.76 3hcf n ALA 224 Cb 0.51 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3hcf n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hcf n GLY 225 N 0.22 0.84 0.06 0.00 0.00 -1.26 -1.54 105.19 103.50 3hcf n GLY 225 Ca 0.26 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 3hcf n GLY 225 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hcf h GLU 226 N 0.00 -0.00 -6.24 1.61 4.39 -1.97 -3.45 114.58 108.92 3hcf h GLU 226 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 3hcf h GLU 226 Cb 0.00 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3hcf h GLU 226 CO 0.00 0.74 1.18 0.00 -1.16 0.00 0.00 179.01 179.77 3hcf n ALA 227 N -2.47 1.08 -3.62 3.43 0.00 -1.25 -4.96 120.51 112.73 3hcf n ALA 227 Ca -0.09 0.20 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 3hcf n ALA 227 Cb 0.36 -2.57 -0.08 0.00 0.00 0.00 0.00 19.45 17.16 3hcf n ALA 227 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hcf s ARG 228 N 4.53 2.79 0.48 0.00 3.52 -1.26 -0.90 118.95 128.11 3hcf s ARG 228 Ca 0.94 -2.45 -0.14 0.00 -0.13 0.00 0.00 55.73 53.95 3hcf s ARG 228 Cb -0.63 -3.90 -0.07 0.00 -1.56 0.00 0.00 34.95 28.79 3hcf s ARG 228 CO 0.49 -1.20 0.91 -0.51 -0.81 0.00 0.00 175.30 174.17 3hcf s LEU 229 N 0.11 3.67 -0.16 -0.88 1.02 -0.00 -4.81 118.68 117.63 3hcf s LEU 229 Ca 0.16 1.39 -0.09 0.00 0.02 0.00 0.00 54.13 55.61 3hcf s LEU 229 Cb -0.18 -4.31 -0.05 0.00 0.02 0.00 0.00 46.19 41.67 3hcf s LEU 229 CO -0.05 -0.54 0.15 -0.89 0.02 0.00 0.00 176.35 175.04 3hcf s THR 230 N -2.58 5.44 -0.03 5.49 2.01 -1.26 -1.96 115.64 122.75 3hcf s THR 230 Ca 0.56 0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.81 3hcf s THR 230 Cb -0.10 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 68.96 3hcf s THR 230 CO 0.33 0.52 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.01 3hcf s VAL 231 N -0.30 0.81 -0.22 3.82 1.01 0.39 -4.72 120.40 121.20 3hcf s VAL 231 Ca 0.12 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 3hcf s VAL 231 Cb -0.12 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 3hcf s VAL 231 CO 0.01 0.26 1.57 0.54 0.00 0.00 0.00 175.10 177.48 3hcf s VAL 232 N 0.32 3.76 0.27 2.92 0.11 -1.15 -4.01 120.40 122.62 3hcf s VAL 232 Ca -0.05 0.87 -0.30 0.00 -2.93 0.00 0.00 61.98 59.57 3hcf s VAL 232 Cb -0.10 -3.76 -0.10 0.00 -1.53 0.00 0.00 36.38 30.89 3hcf s VAL 232 CO 0.01 -0.30 1.42 -2.16 -3.33 0.00 0.00 175.10 170.74 3hcf s PRO 233 N 4.54 4.27 0.33 1.54 0.04 -1.06 -4.72 135.00 139.94 3hcf s PRO 233 Ca 0.69 2.31 0.03 0.00 0.04 0.00 0.00 61.00 64.07 3hcf s PRO 233 Cb -0.24 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 3hcf s PRO 233 CO 0.28 -0.39 0.13 0.14 0.04 0.00 0.00 177.00 177.20 3hcf s VAL 234 N -0.23 0.55 0.32 -0.36 -7.23 -1.26 -4.83 120.40 107.36 3hcf s VAL 234 Ca 0.57 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 3hcf s VAL 234 Cb -0.42 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 33.95 3hcf s VAL 234 CO 0.46 0.00 0.08 -0.94 -0.31 0.00 0.00 175.10 174.38 3hcf s SER 235 N -3.45 2.10 0.08 4.85 1.04 -1.26 -1.01 113.70 116.05 3hcf s SER 235 Ca 0.33 -1.41 -0.23 0.00 0.48 0.00 0.00 55.95 55.12 3hcf s SER 235 Cb 0.05 0.04 -0.15 0.00 0.10 0.00 0.00 66.02 66.05 3hcf s SER 235 CO 0.16 -0.67 1.67 -0.08 0.98 0.00 0.00 173.24 175.30 3hcf h GLU 236 N 2.15 0.01 -0.39 4.02 4.81 -1.99 0.28 114.58 123.48 3hcf h GLU 236 Ca -0.40 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3hcf h GLU 236 Cb 1.25 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 3hcf h GLU 236 CO 0.66 0.08 0.26 0.93 -0.73 0.00 0.00 179.01 180.21 3hcf h GLU 237 N -0.06 0.52 -0.87 1.92 4.39 -1.98 0.28 114.58 118.78 3hcf h GLU 237 Ca 0.00 -0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.80 3hcf h GLU 237 Cb 0.07 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.54 3hcf h GLU 237 CO -0.00 0.34 0.56 0.93 -1.16 0.00 0.00 179.01 179.68 3hcf h GLU 238 N 0.53 0.70 -0.08 2.33 5.08 -1.90 0.19 114.58 121.43 3hcf h GLU 238 Ca 0.14 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.23 3hcf h GLU 238 Cb -0.06 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.04 3hcf h GLU 238 CO -0.03 0.46 -0.88 0.28 -1.00 0.00 0.00 179.01 177.84 3hcf h VAL 239 N 0.72 1.31 0.05 3.13 2.07 0.49 -2.28 116.25 121.73 3hcf h VAL 239 Ca 0.42 -2.14 -0.00 0.00 0.82 0.00 0.00 66.70 65.80 3hcf h VAL 239 Cb 0.62 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3hcf h VAL 239 CO -0.18 0.66 -0.02 -0.09 0.02 0.00 0.00 177.57 177.96 3hcf h ARG 240 N 0.42 -0.06 -0.16 1.57 2.43 0.51 -2.38 114.38 116.72 3hcf h ARG 240 Ca -0.08 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3hcf h ARG 240 Cb 1.51 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.05 3hcf h ARG 240 CO 0.17 0.10 0.04 1.49 -1.51 0.00 0.00 179.97 180.27 3hcf h GLU 241 N -0.21 0.11 -1.00 0.20 4.57 -0.73 -0.88 114.58 116.64 3hcf h GLU 241 Ca -0.01 -0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.35 3hcf h GLU 241 Cb 0.19 -0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 28.65 3hcf h GLU 241 CO 0.01 0.07 0.62 0.00 -1.18 0.00 0.00 179.01 178.53 3hcf h ALA 242 N 1.10 1.69 -0.02 2.92 0.00 -1.36 0.86 119.26 124.45 3hcf h ALA 242 Ca 0.07 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hcf h ALA 242 Cb 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hcf h ALA 242 CO -0.08 -0.04 0.01 -0.07 0.00 0.00 0.00 179.25 179.07 3hcf h LEU 243 N 0.77 0.03 0.07 0.00 3.38 -0.65 -1.15 115.31 117.76 3hcf h LEU 243 Ca 0.56 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3hcf h LEU 243 Cb 0.86 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3hcf h LEU 243 CO -0.35 0.25 -0.06 0.58 0.09 0.00 0.00 178.44 178.96 3hcf h VAL 244 N -0.19 0.88 -0.56 1.22 2.07 -0.57 -1.77 116.25 117.33 3hcf h VAL 244 Ca 0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.69 3hcf h VAL 244 Cb 0.23 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3hcf h VAL 244 CO 0.00 0.00 0.53 -0.09 0.02 0.00 0.00 177.57 178.03 3hcf h ARG 245 N -0.13 0.00 -0.01 1.57 9.65 -0.67 0.61 114.38 125.40 3hcf h ARG 245 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3hcf h ARG 245 Cb 0.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 3hcf h ARG 245 CO -0.01 0.00 -0.39 0.43 2.80 0.00 0.00 179.97 182.81 3hcf n SER 246 N -3.84 1.18 0.00 -3.80 7.64 -0.45 -4.94 113.62 109.41 3hcf n SER 246 Ca 0.11 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 59.03 3hcf n SER 246 Cb 0.75 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 3hcf n SER 246 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hcf n GLY 247 N 1.39 1.34 3.84 0.23 0.00 0.21 -4.95 105.19 107.24 3hcf n GLY 247 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 3hcf n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hcf s TYR 248 N -2.00 3.23 -0.06 1.61 2.02 -0.98 -1.03 117.35 120.14 3hcf s TYR 248 Ca 0.00 0.00 -0.16 0.00 -0.37 0.00 0.00 57.07 56.54 3hcf s TYR 248 Cb 0.00 -1.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.97 3hcf s TYR 248 CO 0.00 0.52 0.44 0.21 -1.57 0.00 0.00 175.55 175.14 3hcf s LYS 249 N -3.23 4.14 -0.35 -0.62 2.20 -0.46 -4.33 119.74 117.10 3hcf s LYS 249 Ca 0.32 0.42 -0.25 0.00 -0.36 0.00 0.00 55.97 56.10 3hcf s LYS 249 Cb -0.10 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.90 3hcf s LYS 249 CO 0.25 0.43 0.88 0.08 -0.36 0.00 0.00 175.35 176.62 3hcf s VAL 250 N -0.23 4.66 -0.11 4.02 1.01 -1.26 -1.18 120.40 127.30 3hcf s VAL 250 Ca 0.24 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.37 3hcf s VAL 250 Cb -0.16 -4.27 -0.25 0.00 0.00 0.00 0.00 36.38 31.70 3hcf s VAL 250 CO 0.12 -0.45 0.41 0.54 0.00 0.00 0.00 175.10 175.71 3hcf n ARG 251 N 6.58 0.72 -3.68 2.72 5.12 0.26 -4.95 116.66 123.44 3hcf n ARG 251 Ca 0.06 0.26 -0.13 0.00 -1.93 0.00 0.00 57.85 56.11 3hcf n ARG 251 Cb 0.48 -1.72 -0.09 0.00 -1.16 0.00 0.00 32.46 29.98 3hcf n ARG 251 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3hcf s ASP 252 N -6.74 -0.61 -0.19 0.55 2.15 -0.75 -4.97 116.67 106.10 3hcf s ASP 252 Ca -0.18 1.14 -0.04 0.00 0.43 0.00 0.00 52.55 53.89 3hcf s ASP 252 Cb 0.07 1.12 0.10 0.00 -0.30 0.00 0.00 42.92 43.91 3hcf s ASP 252 CO 0.78 -0.20 0.29 -0.22 -0.17 0.00 0.00 175.17 175.65 3hcf s LEU 253 N 0.54 -0.36 0.17 -1.34 2.96 -1.26 0.11 118.68 119.50 3hcf s LEU 253 Ca -0.02 0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.18 3hcf s LEU 253 Cb -0.04 0.76 -0.04 0.00 0.50 0.00 0.00 46.19 47.36 3hcf s LEU 253 CO -0.03 -0.29 -0.12 0.00 -1.32 0.00 0.00 176.35 174.59 3hcf s ARG 254 N 2.44 1.17 -0.04 1.98 1.70 -0.24 -4.97 118.95 120.99 3hcf s ARG 254 Ca 0.06 -1.49 0.04 0.00 -0.47 0.00 0.00 55.73 53.87 3hcf s ARG 254 Cb -0.14 -0.86 -0.00 0.00 -0.57 0.00 0.00 34.95 33.38 3hcf s ARG 254 CO -0.12 0.13 -0.15 0.99 -1.08 0.00 0.00 175.30 175.07 3hcf s THR 255 N -3.08 1.28 -0.20 4.99 2.01 -1.26 -1.32 115.64 118.07 3hcf s THR 255 Ca 0.19 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 3hcf s THR 255 Cb 0.01 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 3hcf s THR 255 CO 0.03 0.37 -0.03 -0.47 -0.69 0.00 0.00 174.62 173.83 3hcf s TYR 256 N 0.13 2.98 -0.39 4.92 5.04 0.23 -4.96 117.35 125.30 3hcf s TYR 256 Ca -0.05 -0.67 -0.22 0.00 -2.44 0.00 0.00 57.07 53.69 3hcf s TYR 256 Cb -0.11 -2.06 0.01 0.00 0.35 0.00 0.00 41.96 40.15 3hcf s TYR 256 CO 0.02 -0.36 0.73 0.42 -1.34 0.00 0.00 175.55 175.02 3hcf s ILE 257 N 1.10 4.77 0.18 3.14 1.01 -1.26 -0.33 121.20 129.80 3hcf s ILE 257 Ca 0.02 0.64 -0.33 0.00 0.00 0.00 0.00 60.65 60.98 3hcf s ILE 257 Cb -0.15 -4.20 -0.14 0.00 0.01 0.00 0.00 42.46 37.99 3hcf s ILE 257 CO 0.00 -0.47 1.46 0.80 0.00 0.00 0.00 174.94 176.72 3hcf n MET 258 N 6.37 1.91 -3.24 2.79 0.00 -1.05 -4.95 117.12 118.95 3hcf n MET 258 Ca 0.01 0.69 -0.32 0.00 -0.00 0.00 0.00 57.70 58.08 3hcf n MET 258 Cb 0.48 -2.38 -0.06 0.00 0.00 0.00 0.00 33.22 31.27 3hcf n MET 258 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 3hcf s PRO 259 N 0.28 3.93 0.36 2.12 0.02 -1.26 -4.91 135.00 135.54 3hcf s PRO 259 Ca 0.75 0.53 0.16 0.00 0.02 0.00 0.00 61.00 62.45 3hcf s PRO 259 Cb -0.71 -2.51 1.06 0.00 0.02 0.00 0.00 34.50 32.36 3hcf s PRO 259 CO 0.44 0.21 1.71 0.00 -0.33 0.00 0.00 177.00 179.03 3hcf h ALA 260 N 2.34 2.06 -0.24 -1.55 0.00 -1.96 0.73 119.26 120.65 3hcf h ALA 260 Ca -0.47 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hcf h ALA 260 Cb 1.17 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hcf h ALA 260 CO 0.67 -0.58 0.00 -2.39 0.00 0.00 0.00 179.25 176.95 3hcf n HIS 261 N -4.85 0.31 0.43 0.00 1.44 -1.26 -2.92 115.22 108.37 3hcf n HIS 261 Ca 0.29 -0.15 0.05 0.00 -2.01 0.00 0.00 57.72 55.89 3hcf n HIS 261 Cb 0.93 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.04 3hcf n HIS 261 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3hcf n LEU 262 N 0.48 1.27 -4.52 2.39 4.77 0.24 -4.87 117.00 116.77 3hcf n LEU 262 Ca 0.15 -0.79 -0.42 0.00 -0.03 0.00 0.00 56.01 54.92 3hcf n LEU 262 Cb 0.35 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 3hcf n LEU 262 CO 0.12 0.25 1.15 -1.10 -1.33 0.00 0.00 177.39 176.48 3hcf s GLN 263 N -1.28 3.34 -0.10 3.23 -0.21 -1.15 -4.87 119.66 118.63 3hcf s GLN 263 Ca 0.09 -0.83 0.14 0.00 0.02 0.00 0.00 55.36 54.77 3hcf s GLN 263 Cb 0.08 -4.63 0.32 0.00 1.00 0.00 0.00 33.01 29.77 3hcf s GLN 263 CO 0.23 -2.05 1.23 0.25 -2.12 0.00 0.00 175.29 172.83 3hcf n THR 264 N 6.31 1.73 -0.99 -0.19 -2.24 -1.26 -4.96 114.28 112.68 3hcf n THR 264 Ca 0.13 -1.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.17 3hcf n THR 264 Cb 0.49 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3hcf n THR 264 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hcf n GLY 265 N -0.70 0.70 0.19 3.38 0.00 -1.26 -4.81 105.19 102.70 3hcf n GLY 265 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 3hcf n GLY 265 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3hcf h VAL 266 N 0.00 0.00 -2.55 1.61 -1.51 -1.94 -3.46 116.25 108.40 3hcf h VAL 266 Ca 0.00 -0.65 0.12 0.00 -1.23 0.00 0.00 66.70 64.94 3hcf h VAL 266 Cb 0.02 1.62 -0.02 0.00 -2.13 0.00 0.00 31.29 30.78 3hcf h VAL 266 CO 0.00 0.00 0.51 -0.90 -1.23 0.00 0.00 177.57 175.95 3hcf n ASP 267 N -2.78 -1.69 -0.14 4.19 3.85 -1.26 0.17 116.55 118.88 3hcf n ASP 267 Ca 0.03 -1.94 0.10 0.00 -0.71 0.00 0.00 54.79 52.27 3hcf n ASP 267 Cb 0.41 2.76 0.15 0.00 -1.35 0.00 0.00 41.12 43.10 3hcf n ASP 267 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3hcf n ASP 268 N -1.28 2.47 -4.61 -1.12 3.85 -1.19 -4.72 116.55 109.94 3hcf n ASP 268 Ca -0.03 -3.10 -0.43 0.00 -0.71 0.00 0.00 54.79 50.52 3hcf n ASP 268 Cb 0.54 -0.44 -0.01 0.00 -1.35 0.00 0.00 41.12 39.87 3hcf n ASP 268 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3hcf n VAL 269 N -1.36 2.11 0.03 2.12 3.14 -1.26 -4.54 118.33 118.56 3hcf n VAL 269 Ca 0.16 -0.50 0.03 0.00 -2.96 0.00 0.00 64.34 61.07 3hcf n VAL 269 Cb 0.66 -1.14 -0.04 0.00 -1.06 0.00 0.00 33.84 32.25 3hcf n VAL 269 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3hcf n LYS 270 N 0.53 0.77 -2.69 1.45 4.76 -0.94 -4.94 118.16 117.09 3hcf n LYS 270 Ca 0.09 -0.05 -0.01 0.00 -2.87 0.00 0.00 58.31 55.47 3hcf n LYS 270 Cb 0.35 -1.09 0.01 0.00 -1.84 0.00 0.00 35.03 32.46 3hcf n LYS 270 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hcf n GLY 271 N 2.05 0.80 3.09 0.72 0.00 -1.22 -2.53 105.19 108.11 3hcf n GLY 271 Ca -0.01 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 3hcf n GLY 271 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hcf s VAL 272 N -2.25 0.09 0.05 1.61 1.01 0.55 -1.87 120.40 119.58 3hcf s VAL 272 Ca 0.12 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3hcf s VAL 272 Cb -0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3hcf s VAL 272 CO 0.02 -0.39 -0.15 0.72 0.00 0.00 0.00 175.10 175.29 3hcf s PHE 273 N -1.40 1.30 -0.01 5.22 -0.12 -0.07 -0.60 117.98 122.29 3hcf s PHE 273 Ca -0.15 -0.38 0.05 0.00 -0.05 0.00 0.00 56.93 56.40 3hcf s PHE 273 Cb -0.08 -0.76 -0.01 0.00 -0.63 0.00 0.00 43.02 41.54 3hcf s PHE 273 CO 0.01 0.05 -0.15 0.12 -0.05 0.00 0.00 175.22 175.20 3hcf s PHE 274 N -0.93 1.35 -0.01 3.49 5.36 -0.43 -1.86 117.98 124.95 3hcf s PHE 274 Ca 0.02 -0.26 0.03 0.00 -0.96 0.00 0.00 56.93 55.76 3hcf s PHE 274 Cb -0.08 -0.87 -0.00 0.00 -0.34 0.00 0.00 43.02 41.72 3hcf s PHE 274 CO 0.02 -0.03 -0.09 0.00 -1.46 0.00 0.00 175.22 173.65 3hcf s ALA 275 N -0.34 0.82 -0.14 11.12 0.00 0.13 -1.08 121.76 132.27 3hcf s ALA 275 Ca 0.05 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.64 3hcf s ALA 275 Cb -0.06 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3hcf s ALA 275 CO -0.01 0.18 -0.22 -0.46 0.00 0.00 0.00 175.76 175.26 3hcf s TRP 276 N -0.13 2.64 -0.04 0.00 -0.00 0.12 -0.77 118.94 120.76 3hcf s TRP 276 Ca 0.02 -1.32 -0.05 0.00 -0.00 0.00 0.00 56.10 54.75 3hcf s TRP 276 Cb -0.05 -1.79 0.01 0.00 -0.00 0.00 0.00 33.47 31.64 3hcf s TRP 276 CO -0.00 -0.60 0.13 0.00 -0.00 0.00 0.00 176.95 176.48 3hcf s ALA 277 N 0.80 -0.32 -0.18 5.86 0.00 -0.35 -0.57 121.76 127.00 3hcf s ALA 277 Ca -0.08 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.10 3hcf s ALA 277 Cb -0.16 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.85 3hcf s ALA 277 CO -0.01 -0.11 -0.17 -1.14 0.00 0.00 0.00 175.76 174.33 3hcf s GLN 278 N -0.37 3.08 -0.23 0.00 0.74 -0.32 0.32 119.66 122.87 3hcf s GLN 278 Ca -0.04 -0.79 -0.29 0.00 0.05 0.00 0.00 55.36 54.29 3hcf s GLN 278 Cb -0.03 -2.65 -0.03 0.00 1.10 0.00 0.00 33.01 31.40 3hcf s GLN 278 CO 0.00 -0.18 1.80 0.21 -0.55 0.00 0.00 175.29 176.57 3hcf s LYS 279 N 1.27 3.57 -0.06 1.67 2.20 0.61 -1.35 119.74 127.66 3hcf s LYS 279 Ca 0.04 1.73 -0.36 0.00 -0.36 0.00 0.00 55.97 57.01 3hcf s LYS 279 Cb -0.13 -4.15 -0.14 0.00 -1.51 0.00 0.00 37.83 31.89 3hcf s LYS 279 CO -0.10 -1.57 1.68 0.28 -0.36 0.00 0.00 175.35 175.28 3hcf n VAL 280 N 6.88 0.28 -1.58 4.02 0.31 -0.20 0.85 118.33 128.90 3hcf n VAL 280 Ca 0.22 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 3hcf n VAL 280 Cb 0.45 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 3hcf n VAL 280 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12