#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfx n LYS 13 N 0.00 1.08 0.00 0.54 4.01 -1.26 -3.11 118.16 119.42 3hfx n LYS 13 Ca 0.00 -0.11 0.00 0.00 -0.51 0.00 0.00 58.31 57.69 3hfx n LYS 13 Cb 0.00 -1.41 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 3hfx n LYS 13 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 3hfx n VAL 14 N -0.78 0.00 0.00 -0.18 0.24 -1.26 -4.77 118.33 111.58 3hfx n VAL 14 Ca 0.19 -0.25 -0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3hfx n VAL 14 Cb 0.12 0.90 -0.00 0.00 -1.47 0.00 0.00 33.84 33.38 3hfx n VAL 14 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3hfx h PHE 15 N 0.00 -0.03 -0.47 6.34 3.57 -1.93 -3.38 116.94 121.04 3hfx h PHE 15 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3hfx h PHE 15 Cb 0.00 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3hfx h PHE 15 CO 0.00 -0.02 0.31 0.74 -2.23 0.00 0.00 178.31 177.11 3hfx h PHE 16 N -0.21 0.58 -0.49 0.41 0.04 -1.91 -3.24 116.94 112.12 3hfx h PHE 16 Ca -0.00 0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.87 3hfx h PHE 16 Cb 0.02 -0.20 -0.10 0.00 2.20 0.00 0.00 35.95 37.88 3hfx h PHE 16 CO 0.02 0.36 -0.38 -1.35 -0.60 0.00 0.00 178.31 176.36 3hfx h PRO 17 N 0.62 -0.24 0.02 1.51 0.11 -1.85 -1.00 132.00 131.17 3hfx h PRO 17 Ca 0.17 0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.31 3hfx h PRO 17 Cb -0.06 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 3hfx h PRO 17 CO -0.04 -0.16 -0.20 -1.35 -0.21 0.00 0.00 178.00 176.04 3hfx h PRO 18 N -0.25 -0.26 -0.28 1.05 0.11 -1.74 -2.40 132.00 128.23 3hfx h PRO 18 Ca 0.18 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.33 3hfx h PRO 18 Cb 0.56 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.70 3hfx h PRO 18 CO -0.62 -0.17 -0.17 1.28 -0.21 0.00 0.00 178.00 178.12 3hfx n LEU 19 N -3.59 -0.30 -0.13 2.35 7.99 -0.47 0.23 117.00 123.08 3hfx n LEU 19 Ca -0.03 0.55 -0.10 0.00 -0.01 0.00 0.00 56.01 56.41 3hfx n LEU 19 Cb 0.15 -0.09 -0.02 0.00 -0.11 0.00 0.00 43.42 43.36 3hfx n LEU 19 CO 0.05 -0.43 0.79 -0.29 -1.51 0.00 0.00 177.39 176.00 3hfx h ILE 20 N 0.00 1.26 -0.76 -0.08 6.09 -1.32 -1.90 117.51 120.80 3hfx h ILE 20 Ca 0.04 -1.00 0.01 0.00 -1.37 0.00 0.00 64.86 62.55 3hfx h ILE 20 Cb 0.11 1.14 -0.04 0.00 0.47 0.00 0.00 36.82 38.51 3hfx h ILE 20 CO -0.26 0.33 0.50 0.40 -3.07 0.00 0.00 178.15 176.05 3hfx h ILE 21 N 0.50 1.20 0.25 2.19 2.04 0.32 0.77 117.51 124.78 3hfx h ILE 21 Ca 0.11 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3hfx h ILE 21 Cb 0.47 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3hfx h ILE 21 CO 0.02 0.19 -0.12 0.58 0.00 0.00 0.00 178.15 178.82 3hfx h VAL 22 N 1.03 0.75 -0.39 1.67 2.07 -1.14 -3.04 116.25 117.19 3hfx h VAL 22 Ca 0.28 -0.82 0.08 0.00 0.82 0.00 0.00 66.70 67.07 3hfx h VAL 22 Cb -0.12 1.15 -0.09 0.00 -1.52 0.00 0.00 31.29 30.72 3hfx h VAL 22 CO -0.06 0.16 -0.21 1.23 0.02 0.00 0.00 177.57 178.71 3hfx h GLY 23 N -0.80 0.06 0.68 2.17 0.00 -0.83 0.99 103.07 105.34 3hfx h GLY 23 Ca -0.03 0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.61 3hfx h GLY 23 CO 0.06 -0.20 0.30 1.19 0.00 0.00 0.00 176.54 177.88 3hfx h ILE 24 N -0.14 0.94 0.00 2.60 2.10 -1.00 0.18 117.51 122.20 3hfx h ILE 24 Ca 0.19 -0.19 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 3hfx h ILE 24 Cb 0.44 0.34 -0.00 0.00 -1.09 0.00 0.00 36.82 36.50 3hfx h ILE 24 CO -0.48 0.10 -0.02 -0.07 -1.08 0.00 0.00 178.15 176.60 3hfx h LEU 25 N 0.56 0.00 0.00 2.19 -0.00 -1.07 -2.94 115.31 114.06 3hfx h LEU 25 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 3hfx h LEU 25 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 3hfx h LEU 25 CO -0.18 0.02 0.00 0.00 -0.00 0.00 0.00 178.44 178.28 3hfx n TRP 27 N -1.01 0.00 0.35 0.00 2.14 -1.17 0.13 117.44 117.87 3hfx n TRP 27 Ca 0.00 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.69 3hfx n TRP 27 Cb 0.00 -0.16 0.07 0.00 -0.81 0.00 0.00 31.31 30.40 3hfx n TRP 27 CO 0.00 0.00 0.00 -0.11 2.07 0.00 0.00 177.69 179.65 3hfx n LEU 28 N -1.16 0.75 -0.11 5.67 7.94 -1.11 -2.22 117.00 126.76 3hfx n LEU 28 Ca 0.05 0.23 -0.23 0.00 -1.11 0.00 0.00 56.01 54.96 3hfx n LEU 28 Cb 0.05 -0.11 -0.11 0.00 0.53 0.00 0.00 43.42 43.78 3hfx n LEU 28 CO 0.06 -0.10 -0.66 0.41 -1.11 0.00 0.00 177.39 175.99 3hfx n THR 29 N -2.35 1.53 0.27 1.96 -1.04 0.19 -4.38 114.28 110.47 3hfx n THR 29 Ca 0.01 -0.08 0.18 0.00 -2.04 0.00 0.00 64.05 62.13 3hfx n THR 29 Cb 0.49 -2.02 0.94 0.00 -1.82 0.00 0.00 70.33 67.92 3hfx n THR 29 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3hfx h VAL 30 N -1.00 0.27 -0.45 12.58 2.07 0.91 0.46 116.25 131.09 3hfx h VAL 30 Ca -0.40 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.99 3hfx h VAL 30 Cb 1.35 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3hfx h VAL 30 CO -0.24 0.00 -0.23 0.08 0.02 0.00 0.00 177.57 177.19 3hfx h ARG 31 N 0.00 0.96 -2.32 1.57 -0.00 -1.65 -3.43 114.38 109.52 3hfx h ARG 31 Ca 0.04 -0.43 -0.36 0.00 -0.00 0.00 0.00 59.98 59.24 3hfx h ARG 31 Cb 0.35 -0.02 -0.35 0.00 -0.00 0.00 0.00 29.97 29.95 3hfx h ARG 31 CO -0.00 1.09 -0.66 0.34 -0.00 0.00 0.00 179.97 180.75 3hfx s ASP 32 N -6.70 1.90 0.09 0.08 3.68 0.15 -4.99 116.67 110.88 3hfx s ASP 32 Ca -0.11 -0.73 0.14 0.00 2.13 0.00 0.00 52.55 53.98 3hfx s ASP 32 Cb 0.12 0.36 -0.13 0.00 -1.45 0.00 0.00 42.92 41.81 3hfx s ASP 32 CO 0.87 -0.38 0.97 -0.07 0.13 0.00 0.00 175.17 176.69 3hfx h LEU 33 N 8.29 0.00 -0.44 -1.34 3.38 -1.84 0.12 115.31 123.49 3hfx h LEU 33 Ca -0.15 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.65 3hfx h LEU 33 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3hfx h LEU 33 CO 0.34 0.72 -0.77 -0.78 0.09 0.00 0.00 178.44 178.04 3hfx h ASP 34 N 0.00 0.19 0.65 -0.43 3.58 -1.94 0.12 116.42 118.59 3hfx h ASP 34 Ca -0.14 -0.14 -0.27 0.00 0.42 0.00 0.00 57.03 56.91 3hfx h ASP 34 Cb 1.67 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 42.63 3hfx h ASP 34 CO 0.07 0.89 -1.46 0.00 -2.88 0.00 0.00 179.24 175.86 3hfx h ALA 35 N 1.10 0.58 0.39 -0.78 0.00 -1.97 -3.37 119.26 115.22 3hfx h ALA 35 Ca -0.02 -1.24 -0.01 0.00 0.00 0.00 0.00 54.91 53.63 3hfx h ALA 35 Cb 1.36 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3hfx h ALA 35 CO 0.11 1.43 -0.26 0.00 0.00 0.00 0.00 179.25 180.53 3hfx h ALA 36 N 0.93 -0.63 0.00 0.00 0.00 -0.65 -2.47 119.26 116.45 3hfx h ALA 36 Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hfx h ALA 36 Cb 1.93 0.33 0.00 0.00 0.00 0.00 0.00 17.79 20.05 3hfx h ALA 36 CO 0.10 -0.87 0.00 0.09 0.00 0.00 0.00 179.25 178.58 3hfx n ASN 37 N -5.39 0.43 0.00 0.00 5.03 0.02 -1.12 115.26 114.23 3hfx n ASN 37 Ca -0.10 -0.53 0.00 0.00 0.87 0.00 0.00 54.58 54.82 3hfx n ASN 37 Cb 0.29 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 3hfx n ASN 37 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 3hfx n VAL 38 N 0.53 0.00 -0.03 2.41 3.14 -0.93 -4.41 118.33 119.04 3hfx n VAL 38 Ca 0.00 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.34 3hfx n VAL 38 Cb 0.09 -0.16 -0.03 0.00 -1.06 0.00 0.00 33.84 32.68 3hfx n VAL 38 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 3hfx h VAL 39 N 0.00 0.34 -1.00 1.55 2.07 -1.07 -2.81 116.25 115.32 3hfx h VAL 39 Ca 0.00 -1.20 0.27 0.00 0.82 0.00 0.00 66.70 66.59 3hfx h VAL 39 Cb 0.34 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3hfx h VAL 39 CO 0.00 0.11 0.69 0.16 0.02 0.00 0.00 177.57 178.56 3hfx h ILE 40 N -1.01 0.53 -0.12 4.57 -0.00 -1.79 0.33 117.51 120.02 3hfx h ILE 40 Ca -0.01 -0.06 -0.18 0.00 -0.00 0.00 0.00 64.86 64.61 3hfx h ILE 40 Cb 0.23 0.34 -0.00 0.00 -0.00 0.00 0.00 36.82 37.38 3hfx h ILE 40 CO 0.01 0.03 -0.68 -1.13 -0.00 0.00 0.00 178.15 176.38 3hfx h ASN 41 N 0.18 0.60 0.68 2.16 -0.73 -1.77 -3.01 115.58 113.68 3hfx h ASN 41 Ca 0.51 -0.37 -0.25 0.00 1.87 0.00 0.00 56.30 58.07 3hfx h ASN 41 Cb 1.69 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 40.07 3hfx h ASN 41 CO -0.12 1.11 -1.45 0.00 -0.37 0.00 0.00 177.43 176.60 3hfx h ALA 42 N 0.89 0.66 -0.41 1.57 0.00 -0.20 -3.14 119.26 118.64 3hfx h ALA 42 Ca -0.02 -1.21 -0.08 0.00 0.00 0.00 0.00 54.91 53.60 3hfx h ALA 42 Cb 1.26 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3hfx h ALA 42 CO 0.12 1.37 -0.05 -0.39 0.00 0.00 0.00 179.25 180.30 3hfx h VAL 43 N 0.00 1.27 0.11 0.00 -1.51 -0.99 -1.01 116.25 114.12 3hfx h VAL 43 Ca -0.19 -1.11 0.01 0.00 -1.23 0.00 0.00 66.70 64.17 3hfx h VAL 43 Cb 1.87 1.17 -0.03 0.00 -2.13 0.00 0.00 31.29 32.17 3hfx h VAL 43 CO 0.08 0.37 -0.33 0.15 -1.23 0.00 0.00 177.57 176.62 3hfx h PHE 44 N 0.57 -0.95 0.00 5.19 3.04 -1.64 0.36 116.94 123.51 3hfx h PHE 44 Ca 0.11 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.08 3hfx h PHE 44 Cb 0.56 0.40 0.00 0.00 2.56 0.00 0.00 35.95 39.47 3hfx h PHE 44 CO 0.04 -0.38 0.00 -1.13 -2.02 0.00 0.00 178.31 174.82 3hfx n SER 45 N -4.33 0.00 -0.01 0.41 3.41 -1.18 -0.40 113.62 111.51 3hfx n SER 45 Ca -0.06 -0.19 -0.00 0.00 -0.26 0.00 0.00 58.87 58.36 3hfx n SER 45 Cb 0.26 -0.14 -0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3hfx n SER 45 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3hfx h TYR 46 N 0.00 0.00 -0.91 7.33 3.20 -0.42 -3.31 116.97 122.86 3hfx h TYR 46 Ca 0.00 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 3hfx h TYR 46 Cb 0.07 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.28 3hfx h TYR 46 CO 0.00 0.00 0.59 0.28 -1.64 0.00 0.00 178.16 177.39 3hfx h VAL 47 N -0.17 1.05 0.50 1.81 2.07 0.21 -0.72 116.25 121.01 3hfx h VAL 47 Ca 0.00 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3hfx h VAL 47 Cb 0.05 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3hfx h VAL 47 CO 0.00 0.19 -0.24 0.74 0.02 0.00 0.00 177.57 178.27 3hfx h THR 48 N 1.02 0.21 -0.17 2.57 2.02 -0.93 -1.31 112.91 116.32 3hfx h THR 48 Ca 0.40 -0.50 -0.14 0.00 0.77 0.00 0.00 66.41 66.94 3hfx h THR 48 Cb 0.23 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3hfx h THR 48 CO -0.16 0.04 -0.49 0.78 0.37 0.00 0.00 175.52 176.06 3hfx h ASN 49 N -1.09 0.48 0.11 4.18 2.35 -1.62 -1.80 115.58 118.20 3hfx h ASN 49 Ca -0.07 -0.24 -0.33 0.00 -0.55 0.00 0.00 56.30 55.12 3hfx h ASN 49 Cb 0.58 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3hfx h ASN 49 CO 0.11 0.90 -1.73 0.58 -1.65 0.00 0.00 177.43 175.64 3hfx h VAL 50 N 0.35 0.79 -0.16 2.81 2.07 -1.23 -3.40 116.25 117.48 3hfx h VAL 50 Ca 0.02 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.19 3hfx h VAL 50 Cb 0.99 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 3hfx h VAL 50 CO 0.09 0.77 0.00 0.79 0.02 0.00 0.00 177.57 179.23 3hfx n TRP 51 N -3.73 0.30 -0.21 1.57 7.02 -0.50 -4.78 117.44 117.11 3hfx n TRP 51 Ca -0.30 -0.64 0.00 0.00 -1.02 0.00 0.00 57.50 55.54 3hfx n TRP 51 Cb 0.97 -0.10 0.11 0.00 -2.42 0.00 0.00 31.31 29.87 3hfx n TRP 51 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3hfx h GLY 52 N 0.96 0.89 0.28 6.99 0.00 -1.26 -2.33 103.07 108.60 3hfx h GLY 52 Ca 0.00 -0.15 0.19 0.00 0.00 0.00 0.00 47.33 47.37 3hfx h GLY 52 CO 0.04 0.01 0.60 0.11 0.00 0.00 0.00 176.54 177.29 3hfx h TRP 53 N 0.46 0.76 -0.49 5.60 0.09 -1.86 -0.66 115.95 119.85 3hfx h TRP 53 Ca 0.31 0.02 0.08 0.00 0.09 0.00 0.00 58.89 59.39 3hfx h TRP 53 Cb 0.36 -0.23 -0.06 0.00 0.08 0.00 0.00 29.16 29.30 3hfx h TRP 53 CO -0.15 0.21 0.13 0.00 0.09 0.00 0.00 178.44 178.72 3hfx h ALA 54 N 1.61 0.58 0.00 0.11 0.00 -1.79 -0.33 119.26 119.44 3hfx h ALA 54 Ca 0.50 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.48 3hfx h ALA 54 Cb 1.01 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hfx h ALA 54 CO -0.24 -0.28 -0.08 0.74 0.00 0.00 0.00 179.25 179.39 3hfx h PHE 55 N 0.28 0.00 0.03 0.00 -1.00 -1.21 0.13 116.94 115.16 3hfx h PHE 55 Ca 0.24 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.02 3hfx h PHE 55 Cb 0.30 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 3hfx h PHE 55 CO -0.20 0.08 -0.01 0.93 -1.61 0.00 0.00 178.31 177.49 3hfx h GLU 56 N 0.00 -0.04 -0.60 1.51 5.08 -1.22 -3.12 114.58 116.20 3hfx h GLU 56 Ca -0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 3hfx h GLU 56 Cb 0.14 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.31 3hfx h GLU 56 CO 0.01 0.62 0.07 -1.49 -1.00 0.00 0.00 179.01 177.22 3hfx h TRP 57 N -0.95 0.10 -0.76 4.33 4.06 -0.98 0.19 115.95 121.94 3hfx h TRP 57 Ca -0.00 0.04 0.09 0.00 2.06 0.00 0.00 58.89 61.07 3hfx h TRP 57 Cb 0.67 0.05 -0.11 0.00 -1.00 0.00 0.00 29.16 28.76 3hfx h TRP 57 CO 0.17 -0.09 -0.52 -0.92 -3.56 0.00 0.00 178.44 173.52 3hfx h TYR 58 N 0.19 -1.61 -0.06 0.49 5.03 -0.83 0.96 116.97 121.14 3hfx h TYR 58 Ca 0.32 0.10 -0.08 0.00 2.58 0.00 0.00 58.73 61.65 3hfx h TYR 58 Cb 0.49 0.81 -0.01 0.00 1.55 0.00 0.00 36.73 39.57 3hfx h TYR 58 CO -0.29 -0.42 -0.34 0.52 -1.32 0.00 0.00 178.16 176.31 3hfx h MET 59 N -0.15 0.12 -0.14 1.82 2.86 -1.11 -0.44 114.93 117.89 3hfx h MET 59 Ca 0.17 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3hfx h MET 59 Cb 0.51 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3hfx h MET 59 CO -0.81 0.45 0.03 0.28 1.06 0.00 0.00 176.91 177.92 3hfx h VAL 60 N 0.10 1.21 -0.02 -2.22 2.07 -0.27 -1.13 116.25 115.99 3hfx h VAL 60 Ca 0.01 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3hfx h VAL 60 Cb 0.66 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3hfx h VAL 60 CO 0.05 0.20 0.00 0.58 0.02 0.00 0.00 177.57 178.42 3hfx h VAL 61 N 0.01 0.99 0.00 2.57 2.07 -0.00 0.84 116.25 122.72 3hfx h VAL 61 Ca 0.04 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 3hfx h VAL 61 Cb 0.28 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3hfx h VAL 61 CO 0.00 0.00 -0.00 -0.03 0.02 0.00 0.00 177.57 177.56 3hfx h MET 62 N 0.01 0.00 0.17 1.57 -1.53 -1.14 0.46 114.93 114.47 3hfx h MET 62 Ca 0.01 0.00 -0.32 0.00 -3.44 0.00 0.00 59.70 55.95 3hfx h MET 62 Cb 0.01 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.07 3hfx h MET 62 CO -0.01 0.00 -1.56 1.25 0.14 0.00 0.00 176.91 176.73 3hfx h LEU 63 N 0.00 0.57 -0.25 3.39 7.12 0.34 -2.82 115.31 123.66 3hfx h LEU 63 Ca -0.00 -0.73 -0.04 0.00 0.13 0.00 0.00 57.88 57.23 3hfx h LEU 63 Cb 0.06 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 39.99 3hfx h LEU 63 CO 0.00 1.60 -0.01 0.15 -0.13 0.00 0.00 178.44 180.05 3hfx h PHE 64 N 0.10 0.49 -0.54 1.25 3.57 -0.13 -2.72 116.94 118.96 3hfx h PHE 64 Ca -0.27 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.19 3hfx h PHE 64 Cb 2.07 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 40.62 3hfx h PHE 64 CO 0.09 0.62 -0.32 0.41 -2.23 0.00 0.00 178.31 176.89 3hfx n GLY 65 N -0.28 -1.47 0.37 2.40 0.00 0.15 0.10 105.19 106.47 3hfx n GLY 65 Ca -0.04 0.65 0.11 0.00 0.00 0.00 0.00 46.02 46.75 3hfx n GLY 65 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3hfx h TRP 66 N 0.00 0.82 0.01 1.61 7.01 -1.22 0.68 115.95 124.87 3hfx h TRP 66 Ca 0.09 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 3hfx h TRP 66 Cb 0.22 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.02 3hfx h TRP 66 CO -0.57 0.32 -0.01 0.74 -2.79 0.00 0.00 178.44 176.13 3hfx h PHE 67 N 0.71 -0.02 0.06 2.65 -1.00 -0.26 -2.10 116.94 116.98 3hfx h PHE 67 Ca 0.43 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.22 3hfx h PHE 67 Cb 0.65 0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.20 3hfx h PHE 67 CO -0.00 0.17 -0.11 2.35 -1.61 0.00 0.00 178.31 179.10 3hfx h TRP 68 N -0.20 -0.29 -0.28 -0.55 7.01 -0.77 0.42 115.95 121.30 3hfx h TRP 68 Ca -0.00 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.08 3hfx h TRP 68 Cb 0.19 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 3hfx h TRP 68 CO -0.02 -0.17 0.36 1.25 -2.79 0.00 0.00 178.44 177.07 3hfx h LEU 69 N -0.22 0.00 0.00 0.65 5.85 -0.87 0.28 115.31 121.00 3hfx h LEU 69 Ca 0.02 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.40 3hfx h LEU 69 Cb 0.24 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 3hfx h LEU 69 CO -0.07 0.00 -2.32 0.52 -0.34 0.00 0.00 178.44 176.23 3hfx n VAL 70 N -3.57 1.34 0.01 1.05 0.31 -0.24 -3.68 118.33 113.55 3hfx n VAL 70 Ca 0.04 -0.84 0.00 0.00 -0.01 0.00 0.00 64.34 63.54 3hfx n VAL 70 Cb 0.50 -0.48 -0.00 0.00 -0.91 0.00 0.00 33.84 32.95 3hfx n VAL 70 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3hfx n PHE 71 N -2.75 0.00 -0.24 3.52 3.01 0.13 -4.83 117.46 116.31 3hfx n PHE 71 Ca -0.30 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.16 3hfx n PHE 71 Cb 1.12 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.59 3hfx n PHE 71 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hfx n GLY 72 N 1.64 1.55 0.00 1.37 0.00 0.92 -4.99 105.19 105.68 3hfx n GLY 72 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3hfx n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hfx n PRO 73 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -3.99 135.00 131.34 3hfx n PRO 73 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hfx n PRO 73 Cb 0.00 -0.38 0.02 0.00 -0.02 0.00 0.00 33.50 33.11 3hfx n PRO 73 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hfx n TYR 74 N 0.00 0.00 -0.36 6.00 4.01 -1.26 -4.59 117.16 120.96 3hfx n TYR 74 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 3hfx n TYR 74 Cb 0.00 0.00 0.28 0.00 -0.31 0.00 0.00 39.34 39.31 3hfx n TYR 74 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hfx s ALA 75 N -2.00 -0.85 0.00 -0.72 0.00 -1.24 -3.67 121.76 113.27 3hfx s ALA 75 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3hfx s ALA 75 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.06 3hfx s ALA 75 CO 0.01 -4.47 0.00 1.63 0.00 0.00 0.00 175.76 172.93 3hfx n LYS 76 N -5.49 -1.97 -3.86 0.00 4.76 -1.26 -4.85 118.16 105.49 3hfx n LYS 76 Ca 0.09 0.33 -0.30 0.00 -2.87 0.00 0.00 58.31 55.55 3hfx n LYS 76 Cb 0.58 -4.17 -0.15 0.00 -1.84 0.00 0.00 35.03 29.45 3hfx n LYS 76 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3hfx s LYS 77 N -1.34 1.11 0.00 1.97 2.47 -1.24 -4.95 119.74 117.76 3hfx s LYS 77 Ca 0.00 -1.53 0.00 0.00 -1.56 0.00 0.00 55.97 52.88 3hfx s LYS 77 Cb 0.00 -2.56 0.00 0.00 -1.46 0.00 0.00 37.83 33.81 3hfx s LYS 77 CO 0.00 -0.99 0.00 -2.13 0.16 0.00 0.00 175.35 172.39 3hfx n ARG 78 N 4.44 0.00 -0.60 4.03 3.00 -1.26 -4.06 116.66 122.21 3hfx n ARG 78 Ca 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.62 3hfx n ARG 78 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.83 3hfx n ARG 78 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3hfx n LEU 79 N 0.00 2.84 0.00 6.15 -0.00 0.19 -4.69 117.00 121.49 3hfx n LEU 79 Ca 0.00 -2.18 0.00 0.00 -0.00 0.00 0.00 56.01 53.83 3hfx n LEU 79 Cb 0.00 -0.85 0.00 0.00 -0.00 0.00 0.00 43.42 42.57 3hfx n LEU 79 CO 0.00 -0.49 0.00 0.61 -0.00 0.00 0.00 177.39 177.51 3hfx n GLY 80 N 4.18 0.62 0.00 -3.96 0.00 -1.26 -4.62 105.19 100.15 3hfx n GLY 80 Ca 0.34 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3hfx n GLY 80 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hfx n ASN 81 N 0.05 -0.74 -0.01 1.61 3.02 -1.22 -4.91 115.26 113.06 3hfx n ASN 81 Ca 0.00 -0.09 -0.13 0.00 -0.03 0.00 0.00 54.58 54.33 3hfx n ASN 81 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 3hfx n ASN 81 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3hfx h GLU 82 N 0.00 -0.02 -4.81 3.52 4.57 -1.94 -3.44 114.58 112.46 3hfx h GLU 82 Ca 0.00 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.51 3hfx h GLU 82 Cb 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 28.41 3hfx h GLU 82 CO 0.00 0.53 -0.37 -1.25 -1.18 0.00 0.00 179.01 176.74 3hfx s PRO 83 N -3.94 3.44 -0.19 0.92 0.04 -1.26 -4.69 135.00 129.32 3hfx s PRO 83 Ca -0.16 -0.59 -0.29 0.00 0.04 0.00 0.00 61.00 60.00 3hfx s PRO 83 Cb 0.01 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 3hfx s PRO 83 CO 0.66 -0.54 1.73 -2.14 0.04 0.00 0.00 177.00 176.76 3hfx s PRO 84 N 1.88 3.75 0.66 0.56 0.02 -1.26 -3.99 135.00 136.61 3hfx s PRO 84 Ca 0.09 1.82 0.41 0.00 0.02 0.00 0.00 61.00 63.33 3hfx s PRO 84 Cb -0.17 -4.09 2.24 0.00 0.02 0.00 0.00 34.50 32.49 3hfx s PRO 84 CO 0.11 -1.35 2.29 0.93 -0.33 0.00 0.00 177.00 178.65 3hfx h GLU 85 N 11.25 0.00 -5.16 5.54 5.08 -1.94 -3.42 114.58 125.93 3hfx h GLU 85 Ca -0.36 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.64 3hfx h GLU 85 Cb 1.17 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.27 3hfx h GLU 85 CO 0.99 0.00 -0.73 -0.06 -1.00 0.00 0.00 179.01 178.21 3hfx s PHE 86 N -4.22 1.29 0.66 4.33 0.40 -1.26 -5.13 117.98 114.06 3hfx s PHE 86 Ca -0.05 -0.69 -0.11 0.00 -0.60 0.00 0.00 56.93 55.48 3hfx s PHE 86 Cb 0.13 -0.66 -0.01 0.00 0.51 0.00 0.00 43.02 42.98 3hfx s PHE 86 CO 0.41 0.10 1.06 -1.54 0.70 0.00 0.00 175.22 175.95 3hfx s SER 87 N -2.94 5.80 0.13 1.36 1.04 -1.26 -4.82 113.70 113.01 3hfx s SER 87 Ca 0.14 1.36 -0.26 0.00 0.48 0.00 0.00 55.95 57.67 3hfx s SER 87 Cb 0.00 -2.30 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 3hfx s SER 87 CO 0.01 -1.14 1.62 0.71 0.98 0.00 0.00 173.24 175.43 3hfx h THR 88 N -0.51 0.35 -0.85 2.02 1.35 -1.98 0.35 112.91 113.64 3hfx h THR 88 Ca -0.44 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.40 3hfx h THR 88 Cb 1.21 0.35 -0.04 0.00 -1.73 0.00 0.00 68.15 67.95 3hfx h THR 88 CO 0.62 0.00 0.45 0.00 -0.25 0.00 0.00 175.52 176.34 3hfx h ALA 89 N 0.43 1.19 -0.92 6.62 0.00 -1.99 0.51 119.26 125.11 3hfx h ALA 89 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hfx h ALA 89 Cb 0.51 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3hfx h ALA 89 CO -0.29 0.64 0.52 0.77 0.00 0.00 0.00 179.25 180.89 3hfx h SER 90 N 1.19 1.13 0.34 0.00 0.02 -1.79 -0.95 113.55 113.50 3hfx h SER 90 Ca 0.30 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 3hfx h SER 90 Cb 0.05 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.30 3hfx h SER 90 CO -0.05 0.90 -0.17 -0.25 -1.14 0.00 0.00 176.83 176.12 3hfx h TRP 91 N 1.28 -0.45 -0.81 3.45 7.01 0.56 0.24 115.95 127.23 3hfx h TRP 91 Ca 0.33 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.28 3hfx h TRP 91 Cb 0.00 0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.17 3hfx h TRP 91 CO 0.01 -0.28 0.35 -0.84 -2.79 0.00 0.00 178.44 174.89 3hfx h ILE 92 N -0.47 1.26 -0.38 2.65 3.07 -0.76 -2.01 117.51 120.86 3hfx h ILE 92 Ca -0.04 -0.78 -0.14 0.00 1.55 0.00 0.00 64.86 65.44 3hfx h ILE 92 Cb 0.37 0.27 -0.01 0.00 -0.27 0.00 0.00 36.82 37.17 3hfx h ILE 92 CO 0.07 0.33 -0.33 0.15 -1.05 0.00 0.00 178.15 177.32 3hfx h PHE 93 N 1.17 1.02 -0.59 0.16 3.57 -1.15 -0.85 116.94 120.26 3hfx h PHE 93 Ca 0.27 -0.28 0.14 0.00 3.53 0.00 0.00 57.97 61.64 3hfx h PHE 93 Cb 0.18 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3hfx h PHE 93 CO 0.02 1.07 0.41 0.52 -2.23 0.00 0.00 178.31 178.10 3hfx h MET 94 N 0.72 0.16 0.10 1.11 2.86 0.19 0.56 114.93 120.64 3hfx h MET 94 Ca 0.07 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.57 3hfx h MET 94 Cb 0.89 -0.04 0.02 0.00 0.06 0.00 0.00 31.60 32.53 3hfx h MET 94 CO 0.08 0.10 -0.61 0.52 1.06 0.00 0.00 176.91 178.06 3hfx h MET 95 N 0.16 0.22 -0.89 1.72 2.86 -1.12 -3.10 114.93 114.79 3hfx h MET 95 Ca 0.28 -0.38 0.21 0.00 -2.06 0.00 0.00 59.70 57.76 3hfx h MET 95 Cb 0.90 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 32.64 3hfx h MET 95 CO -0.04 1.18 0.60 0.35 1.06 0.00 0.00 176.91 180.06 3hfx h PHE 96 N -0.54 0.44 -0.01 -0.22 3.57 0.35 -2.30 116.94 118.24 3hfx h PHE 96 Ca -0.11 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.41 3hfx h PHE 96 Cb 1.48 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.08 3hfx h PHE 96 CO 0.22 0.11 -0.75 0.00 -2.23 0.00 0.00 178.31 175.66 3hfx n ALA 97 N -2.55 4.19 0.25 2.41 0.00 0.03 -4.50 120.51 120.34 3hfx n ALA 97 Ca 0.19 -0.59 0.13 0.00 0.00 0.00 0.00 53.44 53.17 3hfx n ALA 97 Cb 0.74 -0.82 0.65 0.00 0.00 0.00 0.00 19.45 20.02 3hfx n ALA 97 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hfx h SER 98 N 0.93 0.00 -2.04 0.00 4.64 -1.33 -3.43 113.55 112.32 3hfx h SER 98 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 3hfx h SER 98 Cb 0.59 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.73 3hfx h SER 98 CO 0.00 0.13 0.80 0.00 -0.87 0.00 0.00 176.83 176.90 3hfx n THR 100 N 3.71 0.00 -3.92 0.00 5.66 -1.26 -4.96 114.28 113.51 3hfx n THR 100 Ca 0.19 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.91 3hfx n THR 100 Cb 0.26 1.56 -0.03 0.00 -1.55 0.00 0.00 70.33 70.57 3hfx n THR 100 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3hfx s SER 101 N 0.00 6.35 -0.02 1.09 0.15 -1.26 -4.59 113.70 115.42 3hfx s SER 101 Ca 0.00 0.22 0.19 0.00 0.70 0.00 0.00 55.95 57.06 3hfx s SER 101 Cb 0.00 -1.93 -0.29 0.00 -1.71 0.00 0.00 66.02 62.09 3hfx s SER 101 CO 0.00 0.09 0.47 0.00 1.20 0.00 0.00 173.24 175.00 3hfx n ALA 102 N -0.26 2.94 0.31 5.45 0.00 -1.26 -4.02 120.51 123.67 3hfx n ALA 102 Ca -0.06 -0.47 0.20 0.00 0.00 0.00 0.00 53.44 53.11 3hfx n ALA 102 Cb 0.53 -0.67 1.00 0.00 0.00 0.00 0.00 19.45 20.31 3hfx n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hfx h ALA 103 N 1.89 1.00 -0.41 0.00 0.00 -1.92 -0.13 119.26 119.69 3hfx h ALA 103 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hfx h ALA 103 Cb 0.83 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3hfx h ALA 103 CO 0.00 0.00 0.15 0.28 0.00 0.00 0.00 179.25 179.68 3hfx h VAL 104 N 0.00 1.21 0.00 0.00 2.07 -1.99 -1.44 116.25 116.09 3hfx h VAL 104 Ca 0.00 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 3hfx h VAL 104 Cb 0.17 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3hfx h VAL 104 CO 0.00 0.24 -0.27 -0.07 0.02 0.00 0.00 177.57 177.49 3hfx h LEU 105 N 0.51 0.00 0.60 2.57 3.38 -1.25 0.57 115.31 121.68 3hfx h LEU 105 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3hfx h LEU 105 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.98 3hfx h LEU 105 CO -0.01 0.27 -0.29 0.15 0.09 0.00 0.00 178.44 178.65 3hfx h PHE 106 N 0.00 -0.75 -0.31 1.13 3.57 -1.29 -3.29 116.94 116.01 3hfx h PHE 106 Ca -0.00 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 3hfx h PHE 106 Cb 0.67 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 3hfx h PHE 106 CO 0.00 -0.46 -0.33 -1.49 -2.23 0.00 0.00 178.31 173.80 3hfx h TRP 107 N -1.05 0.78 0.00 0.41 4.06 -1.15 -2.24 115.95 116.75 3hfx h TRP 107 Ca -0.08 -0.20 0.00 0.00 2.06 0.00 0.00 58.89 60.66 3hfx h TRP 107 Cb 0.62 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.60 3hfx h TRP 107 CO 0.03 0.91 0.00 0.41 -3.56 0.00 0.00 178.44 176.23 3hfx n GLY 108 N -0.11 1.12 1.69 1.49 0.00 0.20 -1.89 105.19 107.69 3hfx n GLY 108 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3hfx n GLY 108 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hfx n SER 109 N 0.33 0.02 -0.13 1.61 7.64 -0.88 -3.68 113.62 118.54 3hfx n SER 109 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 3hfx n SER 109 Cb 0.22 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 3hfx n SER 109 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3hfx n ILE 110 N -2.61 0.00 0.14 0.44 -6.64 -1.00 -4.57 119.36 105.11 3hfx n ILE 110 Ca 0.00 -0.12 -0.14 0.00 -1.77 0.00 0.00 62.75 60.71 3hfx n ILE 110 Cb 0.13 1.07 -0.07 0.00 -1.44 0.00 0.00 39.64 39.33 3hfx n ILE 110 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 3hfx h GLU 111 N 0.64 -0.63 -0.36 6.28 4.81 -1.61 -1.13 114.58 122.58 3hfx h GLU 111 Ca 0.00 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3hfx h GLU 111 Cb 0.51 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 3hfx h GLU 111 CO 0.00 -0.42 0.24 0.97 -0.73 0.00 0.00 179.01 179.07 3hfx h ILE 112 N -0.66 0.99 -0.40 2.32 2.10 -1.81 -0.28 117.51 119.77 3hfx h ILE 112 Ca 0.01 -0.11 -0.03 0.00 1.08 0.00 0.00 64.86 65.81 3hfx h ILE 112 Cb 0.66 0.65 -0.02 0.00 -1.09 0.00 0.00 36.82 37.02 3hfx h ILE 112 CO -0.20 0.06 0.12 0.22 -1.08 0.00 0.00 178.15 177.27 3hfx h TYR 113 N 0.32 0.65 -0.14 2.19 3.20 -1.57 -1.65 116.97 119.95 3hfx h TYR 113 Ca 0.15 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 3hfx h TYR 113 Cb 0.21 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3hfx h TYR 113 CO -0.00 0.60 -0.36 1.88 -1.64 0.00 0.00 178.16 178.64 3hfx h TYR 114 N 0.50 0.33 -0.59 -3.82 0.05 0.08 -1.56 116.97 111.97 3hfx h TYR 114 Ca 0.13 -0.08 -0.10 0.00 0.05 0.00 0.00 58.73 58.73 3hfx h TYR 114 Cb 0.26 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 3hfx h TYR 114 CO 0.01 0.62 -0.03 1.88 -1.05 0.00 0.00 178.16 179.59 3hfx h TYR 115 N 0.25 1.16 0.00 4.88 0.99 -0.94 -1.11 116.97 122.19 3hfx h TYR 115 Ca 0.03 -0.21 -0.04 0.00 2.00 0.00 0.00 58.73 60.51 3hfx h TYR 115 Cb 0.76 -0.30 -0.01 0.00 1.00 0.00 0.00 36.73 38.18 3hfx h TYR 115 CO 0.02 1.03 -0.41 -0.84 -0.00 0.00 0.00 178.16 177.95 3hfx h ILE 116 N 0.96 0.28 0.13 -2.88 3.07 -1.03 -2.87 117.51 115.17 3hfx h ILE 116 Ca 0.16 -1.42 -0.33 0.00 1.55 0.00 0.00 64.86 64.83 3hfx h ILE 116 Cb 0.59 2.04 -0.01 0.00 -0.27 0.00 0.00 36.82 39.17 3hfx h ILE 116 CO 0.04 0.16 -1.73 0.77 -1.05 0.00 0.00 178.15 176.34 3hfx h SER 117 N 0.00 0.42 -3.78 2.16 4.64 -1.22 0.64 113.55 116.41 3hfx h SER 117 Ca -0.01 -0.89 -0.66 0.00 -0.47 0.00 0.00 61.79 59.76 3hfx h SER 117 Cb 1.15 -0.14 -0.39 0.00 -0.31 0.00 0.00 62.40 62.72 3hfx h SER 117 CO 0.02 1.75 -0.66 -0.89 -0.87 0.00 0.00 176.83 176.18 3hfx s THR 118 N -2.52 2.56 0.72 2.95 2.01 -0.43 -4.51 115.64 116.42 3hfx s THR 118 Ca -0.21 -2.48 -0.11 0.00 0.31 0.00 0.00 61.69 59.20 3hfx s THR 118 Cb 0.06 -2.84 0.02 0.00 0.01 0.00 0.00 72.50 69.75 3hfx s THR 118 CO 0.77 -0.66 1.08 -2.84 -0.69 0.00 0.00 174.62 172.28 3hfx s PRO 119 N 0.71 2.78 1.07 4.92 0.02 -1.08 -4.32 135.00 139.09 3hfx s PRO 119 Ca 0.12 0.64 -0.16 0.00 0.02 0.00 0.00 61.00 61.61 3hfx s PRO 119 Cb -0.21 -2.00 0.23 0.00 0.02 0.00 0.00 34.50 32.54 3hfx s PRO 119 CO -0.06 -1.13 1.17 -1.25 -0.33 0.00 0.00 177.00 175.39 3hfx s PRO 120 N -5.22 -0.15 -0.91 5.54 0.04 -1.26 -4.56 135.00 128.48 3hfx s PRO 120 Ca 0.58 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.59 3hfx s PRO 120 Cb -0.12 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.70 3hfx s PRO 120 CO 0.53 -3.00 0.00 1.19 0.04 0.00 0.00 177.00 175.76 3hfx n PHE 121 N -4.26 0.00 -1.04 0.56 3.72 -1.26 -2.81 117.46 112.37 3hfx n PHE 121 Ca 0.12 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.50 3hfx n PHE 121 Cb 0.59 -2.00 -0.01 0.00 -0.94 0.00 0.00 39.48 37.12 3hfx n PHE 121 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hfx n GLY 122 N -1.03 0.30 3.75 1.37 0.00 -1.26 -4.99 105.19 103.33 3hfx n GLY 122 Ca -0.09 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 3hfx n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hfx s LEU 123 N -0.28 3.82 0.18 0.99 1.43 -1.12 -4.96 118.68 118.73 3hfx s LEU 123 Ca 0.00 2.53 -0.30 0.00 -1.03 0.00 0.00 54.13 55.33 3hfx s LEU 123 Cb 0.00 -4.38 -0.07 0.00 0.03 0.00 0.00 46.19 41.76 3hfx s LEU 123 CO 0.00 -1.44 1.08 -1.61 0.23 0.00 0.00 176.35 174.60 3hfx s GLU 124 N -3.01 4.62 0.23 1.70 2.02 -1.26 -4.47 118.70 118.53 3hfx s GLU 124 Ca 0.72 1.68 -0.31 0.00 0.02 0.00 0.00 54.97 57.08 3hfx s GLU 124 Cb -0.34 -3.29 -0.14 0.00 0.10 0.00 0.00 34.13 30.46 3hfx s GLU 124 CO 0.40 0.11 1.24 -2.30 0.02 0.00 0.00 175.26 174.73 3hfx n PRO 125 N 2.35 1.58 -0.19 0.39 -0.02 -1.26 -1.73 135.00 136.11 3hfx n PRO 125 Ca 0.02 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3hfx n PRO 125 Cb 0.46 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3hfx n PRO 125 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hfx n ASN 126 N 1.86 0.00 -4.40 2.55 3.02 0.22 -4.97 115.26 113.54 3hfx n ASN 126 Ca 0.12 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.35 3hfx n ASN 126 Cb 0.29 -0.94 0.14 0.00 -0.61 0.00 0.00 39.78 38.66 3hfx n ASN 126 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hfx n SER 127 N 0.00 -2.01 -0.34 6.41 3.41 -0.70 -4.80 113.62 115.60 3hfx n SER 127 Ca 0.00 0.24 0.03 0.00 -0.26 0.00 0.00 58.87 58.87 3hfx n SER 127 Cb 0.00 -1.17 0.20 0.00 -0.26 0.00 0.00 64.21 62.98 3hfx n SER 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hfx h THR 128 N -1.71 1.10 -0.20 6.66 1.03 -1.93 -2.77 112.91 115.09 3hfx h THR 128 Ca -0.46 -0.39 -0.06 0.00 -0.01 0.00 0.00 66.41 65.49 3hfx h THR 128 Cb 1.30 -0.13 -0.00 0.00 -1.07 0.00 0.00 68.15 68.25 3hfx h THR 128 CO 0.36 0.21 -0.11 1.23 -0.01 0.00 0.00 175.52 177.19 3hfx h GLY 129 N 1.13 0.46 -0.33 2.99 0.00 -1.92 -2.56 103.07 102.84 3hfx h GLY 129 Ca 0.40 -0.43 0.11 0.00 0.00 0.00 0.00 47.33 47.41 3hfx h GLY 129 CO -0.15 0.39 -0.28 0.00 0.00 0.00 0.00 176.54 176.50 3hfx h ALA 130 N 0.69 0.06 -0.04 3.60 0.00 -1.75 0.11 119.26 121.93 3hfx h ALA 130 Ca 0.04 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3hfx h ALA 130 Cb 0.61 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hfx h ALA 130 CO 0.03 -0.62 0.03 0.87 0.00 0.00 0.00 179.25 179.57 3hfx h LYS 131 N -0.14 0.00 0.00 0.00 1.57 -1.36 -1.79 116.57 114.85 3hfx h LYS 131 Ca 0.24 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 3hfx h LYS 131 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3hfx h LYS 131 CO -0.64 0.00 -0.23 0.93 -0.57 0.00 0.00 179.45 178.93 3hfx h GLU 132 N 0.00 0.00 -0.02 3.15 5.08 -0.37 -3.01 114.58 119.41 3hfx h GLU 132 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3hfx h GLU 132 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3hfx h GLU 132 CO -0.00 0.23 -0.33 -0.11 -1.00 0.00 0.00 179.01 177.80 3hfx n LEU 133 N -3.36 2.29 0.00 1.33 0.00 -0.68 -4.62 117.00 111.96 3hfx n LEU 133 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 56.01 55.18 3hfx n LEU 133 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.87 3hfx n LEU 133 CO 0.34 0.41 0.44 0.61 0.00 0.00 0.00 177.39 179.19 3hfx n GLY 134 N 1.38 -2.46 0.33 -3.96 0.00 -1.14 -1.70 105.19 97.64 3hfx n GLY 134 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 3hfx n GLY 134 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hfx h LEU 135 N 0.00 0.64 -1.11 0.99 5.85 -1.85 -1.82 115.31 118.02 3hfx h LEU 135 Ca 0.00 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.89 3hfx h LEU 135 Cb 0.00 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3hfx h LEU 135 CO 0.00 0.25 0.61 0.00 -0.34 0.00 0.00 178.44 178.96 3hfx h ALA 136 N 1.59 1.51 0.00 1.25 0.00 -1.77 0.36 119.26 122.20 3hfx h ALA 136 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3hfx h ALA 136 Cb 0.74 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hfx h ALA 136 CO -0.37 0.34 0.00 -0.92 0.00 0.00 0.00 179.25 178.30 3hfx h TYR 137 N 1.04 0.00 -0.01 0.00 3.20 -0.44 -1.31 116.97 119.44 3hfx h TYR 137 Ca 0.42 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.25 3hfx h TYR 137 Cb 0.25 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3hfx h TYR 137 CO -0.00 0.00 -0.15 0.77 -1.64 0.00 0.00 178.16 177.14 3hfx h SER 138 N 0.00 0.15 -0.25 -2.11 0.02 -0.22 -2.72 113.55 108.42 3hfx h SER 138 Ca 0.00 -0.72 0.07 0.00 -0.84 0.00 0.00 61.79 60.31 3hfx h SER 138 Cb 0.67 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3hfx h SER 138 CO 0.00 0.85 0.28 -0.07 -1.14 0.00 0.00 176.83 176.74 3hfx h LEU 139 N -0.53 0.00 0.00 5.07 4.07 -0.51 0.86 115.31 124.28 3hfx h LEU 139 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3hfx h LEU 139 Cb 0.86 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.60 3hfx h LEU 139 CO 0.03 0.00 0.00 0.33 -1.08 0.00 0.00 178.44 177.72 3hfx n PHE 140 N -3.79 0.00 0.28 1.13 -0.00 -0.54 -2.10 117.46 112.44 3hfx n PHE 140 Ca 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.50 3hfx n PHE 140 Cb 0.42 -0.20 0.08 0.00 -0.00 0.00 0.00 39.48 39.78 3hfx n PHE 140 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3hfx h HIS 141 N 0.00 0.00 0.00 -5.13 3.86 -1.24 -1.91 115.15 110.72 3hfx h HIS 141 Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3hfx h HIS 141 Cb 0.00 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.32 3hfx h HIS 141 CO 0.02 0.00 -0.66 0.91 0.86 0.00 0.00 177.93 179.06 3hfx n TRP 142 N -2.31 0.00 -0.69 2.45 7.02 0.28 -4.89 117.44 119.30 3hfx n TRP 142 Ca -0.00 -0.20 0.00 0.00 -1.02 0.00 0.00 57.50 56.28 3hfx n TRP 142 Cb 0.85 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 29.70 3hfx n TRP 142 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hfx n GLY 143 N 0.18 2.98 0.11 6.99 0.00 -0.72 -4.34 105.19 110.39 3hfx n GLY 143 Ca 0.01 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 3hfx n GLY 143 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hfx h PRO 144 N 0.00 0.27 -0.47 1.61 0.11 -1.84 -3.21 132.00 128.47 3hfx h PRO 144 Ca 0.00 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.12 3hfx h PRO 144 Cb 0.00 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 30.99 3hfx h PRO 144 CO 0.00 0.31 -0.44 -0.07 -0.21 0.00 0.00 178.00 177.58 3hfx h LEU 145 N 0.16 -1.54 -1.20 2.35 -0.00 -1.91 0.77 115.31 113.95 3hfx h LEU 145 Ca 0.06 0.21 -0.06 0.00 -0.00 0.00 0.00 57.88 58.09 3hfx h LEU 145 Cb 0.13 0.65 -0.02 0.00 -0.00 0.00 0.00 40.66 41.42 3hfx h LEU 145 CO -0.01 -0.27 -0.10 1.55 -0.00 0.00 0.00 178.44 179.61 3hfx h PRO 146 N -0.21 0.43 0.00 1.13 0.13 -1.81 -1.78 132.00 129.89 3hfx h PRO 146 Ca 0.08 -0.11 -0.12 0.00 -0.87 0.00 0.00 66.00 64.98 3hfx h PRO 146 Cb 0.42 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 3hfx h PRO 146 CO -0.55 0.54 -0.55 -1.49 -0.23 0.00 0.00 178.00 175.72 3hfx h TRP 147 N 0.41 0.00 0.00 1.56 -0.00 -1.07 -2.11 115.95 114.75 3hfx h TRP 147 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.90 3hfx h TRP 147 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.58 3hfx h TRP 147 CO 0.01 0.55 -0.34 0.00 -0.00 0.00 0.00 178.44 178.66 3hfx h ALA 148 N 1.45 1.07 0.00 1.49 0.00 0.13 -3.02 119.26 120.38 3hfx h ALA 148 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hfx h ALA 148 Cb 1.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3hfx h ALA 148 CO 0.07 0.43 0.00 0.25 0.00 0.00 0.00 179.25 180.00 3hfx n THR 149 N -3.61 0.00 -0.06 0.00 -2.24 -0.79 -1.49 114.28 106.09 3hfx n THR 149 Ca -0.01 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.59 3hfx n THR 149 Cb 0.47 -0.53 -0.13 0.00 -2.10 0.00 0.00 70.33 68.04 3hfx n THR 149 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3hfx n TYR 150 N -0.90 0.61 -0.28 4.78 4.02 -1.14 -4.57 117.16 119.68 3hfx n TYR 150 Ca 0.14 0.14 0.04 0.00 -0.01 0.00 0.00 57.90 58.21 3hfx n TYR 150 Cb 0.06 -1.08 0.10 0.00 -0.02 0.00 0.00 39.34 38.40 3hfx n TYR 150 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3hfx n SER 151 N -3.30 -0.30 0.18 7.72 7.64 -0.56 -0.75 113.62 124.26 3hfx n SER 151 Ca -0.37 1.35 -0.08 0.00 1.01 0.00 0.00 58.87 60.78 3hfx n SER 151 Cb 1.03 -0.40 -0.04 0.00 -1.01 0.00 0.00 64.21 63.79 3hfx n SER 151 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3hfx h PHE 152 N 0.00 -0.56 0.00 1.43 3.57 -1.81 0.37 116.94 119.95 3hfx h PHE 152 Ca 0.37 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.86 3hfx h PHE 152 Cb 0.56 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.50 3hfx h PHE 152 CO -0.61 -0.31 0.02 1.28 -2.23 0.00 0.00 178.31 176.47 3hfx n LEU 153 N -3.58 0.46 0.00 0.59 4.77 -0.62 -0.34 117.00 118.29 3hfx n LEU 153 Ca -0.06 0.71 -0.00 0.00 -0.03 0.00 0.00 56.01 56.62 3hfx n LEU 153 Cb 0.21 -0.76 -0.00 0.00 -2.33 0.00 0.00 43.42 40.54 3hfx n LEU 153 CO 0.14 -0.87 0.05 0.28 -1.33 0.00 0.00 177.39 175.67 3hfx h SER 154 N 0.00 -0.02 -1.12 -1.43 0.02 -0.08 -2.54 113.55 108.38 3hfx h SER 154 Ca 0.00 0.00 0.32 0.00 -0.84 0.00 0.00 61.79 61.27 3hfx h SER 154 Cb 0.05 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.49 3hfx h SER 154 CO 0.00 0.04 0.72 0.58 -1.14 0.00 0.00 176.83 177.03 3hfx h VAL 155 N -0.13 0.40 0.00 2.27 2.07 0.57 0.15 116.25 121.59 3hfx h VAL 155 Ca -0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3hfx h VAL 155 Cb 0.01 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 3hfx h VAL 155 CO 0.00 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.65 3hfx n ALA 156 N -2.49 0.00 0.15 1.67 0.00 0.54 -1.01 120.51 119.37 3hfx n ALA 156 Ca 0.29 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.74 3hfx n ALA 156 Cb 1.04 0.03 0.09 0.00 0.00 0.00 0.00 19.45 20.62 3hfx n ALA 156 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hfx n PHE 157 N -0.24 0.12 -0.05 0.00 3.01 -0.71 0.21 117.46 119.80 3hfx n PHE 157 Ca 0.00 0.06 -0.07 0.00 1.01 0.00 0.00 57.45 58.45 3hfx n PHE 157 Cb 0.00 -0.18 -0.14 0.00 -0.01 0.00 0.00 39.48 39.14 3hfx n PHE 157 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hfx n ALA 158 N -1.31 1.65 -0.03 4.37 0.00 0.43 -3.95 120.51 121.66 3hfx n ALA 158 Ca -0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 53.44 52.28 3hfx n ALA 158 Cb 0.60 -0.52 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 3hfx n ALA 158 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3hfx h TYR 159 N 0.00 0.61 0.00 0.00 3.20 0.43 -2.39 116.97 118.82 3hfx h TYR 159 Ca -0.38 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.23 3hfx h TYR 159 Cb 2.01 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 40.18 3hfx h TYR 159 CO 0.00 1.02 0.13 1.19 -1.64 0.00 0.00 178.16 178.86 3hfx n PHE 160 N -4.31 0.00 -0.07 -3.82 0.99 -0.34 -1.88 117.46 108.02 3hfx n PHE 160 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.24 3hfx n PHE 160 Cb 0.55 -0.30 -0.05 0.00 -1.00 0.00 0.00 39.48 38.68 3hfx n PHE 160 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3hfx n PHE 161 N -1.28 0.00 0.17 1.38 0.99 -1.09 -2.71 117.46 114.93 3hfx n PHE 161 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.47 3hfx n PHE 161 Cb 0.13 -0.49 -0.02 0.00 -1.00 0.00 0.00 39.48 38.10 3hfx n PHE 161 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3hfx n PHE 162 N -3.46 0.00 -0.02 1.38 3.72 -0.92 -4.01 117.46 114.14 3hfx n PHE 162 Ca -0.26 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.11 3hfx n PHE 162 Cb 0.70 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.21 3hfx n PHE 162 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3hfx n VAL 163 N -1.09 0.31 -2.68 -4.37 3.14 -1.20 -3.43 118.33 109.01 3hfx n VAL 163 Ca 0.01 -0.16 -0.31 0.00 -2.96 0.00 0.00 64.34 60.91 3hfx n VAL 163 Cb 0.06 -0.81 -0.01 0.00 -1.06 0.00 0.00 33.84 32.01 3hfx n VAL 163 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3hfx n ARG 164 N -2.35 3.70 -0.79 1.45 3.00 -0.79 -5.00 116.66 115.88 3hfx n ARG 164 Ca -0.08 -4.62 0.00 0.00 -0.00 0.00 0.00 57.85 53.15 3hfx n ARG 164 Cb 0.63 -2.29 0.00 0.00 0.00 0.00 0.00 32.46 30.80 3hfx n ARG 164 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3hfx n LYS 165 N -0.29 0.00 -3.37 -0.14 4.76 -1.26 -4.33 118.16 113.53 3hfx n LYS 165 Ca 0.38 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.56 3hfx n LYS 165 Cb 0.41 -0.79 -0.09 0.00 -1.84 0.00 0.00 35.03 32.71 3hfx n LYS 165 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 3hfx n MET 166 N 3.25 0.45 -1.55 1.97 0.00 -1.10 -5.05 117.12 115.10 3hfx n MET 166 Ca 0.00 -3.29 -0.51 0.00 -0.00 0.00 0.00 57.70 53.90 3hfx n MET 166 Cb 0.32 -1.61 -0.06 0.00 0.00 0.00 0.00 33.22 31.87 3hfx n MET 166 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3hfx n GLU 167 N 2.40 1.40 -2.19 2.12 -0.58 -1.26 -4.70 120.64 117.83 3hfx n GLU 167 Ca 0.27 0.44 -0.36 0.00 -0.42 0.00 0.00 57.16 57.09 3hfx n GLU 167 Cb 0.48 -2.52 -0.04 0.00 -0.57 0.00 0.00 31.44 28.80 3hfx n GLU 167 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3hfx s VAL 168 N 6.20 3.50 0.32 2.62 1.01 -1.26 -4.96 120.40 127.83 3hfx s VAL 168 Ca 1.04 -0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.74 3hfx s VAL 168 Cb -0.81 -4.25 -0.14 0.00 0.00 0.00 0.00 36.38 31.18 3hfx s VAL 168 CO 0.51 -1.20 0.88 -0.38 0.00 0.00 0.00 175.10 174.90 3hfx n ILE 169 N 7.20 2.02 -0.30 2.22 -0.00 -1.26 -4.80 119.36 124.44 3hfx n ILE 169 Ca 0.24 -0.50 0.04 0.00 -0.00 0.00 0.00 62.75 62.53 3hfx n ILE 169 Cb 0.50 -0.83 0.10 0.00 -0.00 0.00 0.00 39.64 39.41 3hfx n ILE 169 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 3hfx n ARG 170 N 0.66 -0.09 -1.73 0.38 3.00 -1.26 -4.61 116.66 113.00 3hfx n ARG 170 Ca 0.11 1.27 -0.38 0.00 -0.00 0.00 0.00 57.85 58.85 3hfx n ARG 170 Cb 0.33 -1.90 0.05 0.00 0.00 0.00 0.00 32.46 30.94 3hfx n ARG 170 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3hfx n PRO 171 N -5.31 1.48 0.17 -0.14 -0.02 -1.26 -4.90 135.00 125.01 3hfx n PRO 171 Ca 0.12 0.55 0.04 0.00 -2.02 0.00 0.00 63.50 62.19 3hfx n PRO 171 Cb 0.40 -2.52 0.43 0.00 -0.02 0.00 0.00 33.50 31.78 3hfx n PRO 171 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3hfx h SER 172 N 1.13 0.10 -0.86 2.55 0.02 -1.92 -2.94 113.55 111.63 3hfx h SER 172 Ca -0.51 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.42 3hfx h SER 172 Cb 1.32 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.79 3hfx h SER 172 CO 0.55 0.30 0.51 -1.28 -1.14 0.00 0.00 176.83 175.78 3hfx h SER 173 N 0.10 1.03 0.00 3.07 0.87 -1.91 -3.20 113.55 113.51 3hfx h SER 173 Ca 0.02 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3hfx h SER 173 Cb 0.39 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3hfx h SER 173 CO 0.03 0.80 0.00 0.35 -0.53 0.00 0.00 176.83 177.47 3hfx n THR 174 N -4.42 0.00 -1.63 2.23 -2.24 -1.11 0.21 114.28 107.32 3hfx n THR 174 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3hfx n THR 174 Cb 0.06 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3hfx n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hfx n LEU 175 N 0.28 0.00 -2.22 3.22 -0.00 -1.21 -4.70 117.00 112.37 3hfx n LEU 175 Ca 0.00 -0.17 -0.27 0.00 -0.00 0.00 0.00 56.01 55.58 3hfx n LEU 175 Cb 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 43.57 3hfx n LEU 175 CO 0.00 0.24 1.31 1.33 -0.00 0.00 0.00 177.39 180.27 3hfx n VAL 176 N 0.00 3.31 0.09 1.47 0.24 0.13 -4.43 118.33 119.13 3hfx n VAL 176 Ca 0.00 -2.28 -0.22 0.00 -2.04 0.00 0.00 64.34 59.80 3hfx n VAL 176 Cb 0.38 -0.68 -0.15 0.00 -1.47 0.00 0.00 33.84 31.92 3hfx n VAL 176 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3hfx h PRO 177 N 1.31 0.40 -0.61 7.34 0.14 -1.88 0.63 132.00 139.34 3hfx h PRO 177 Ca 0.61 -0.68 0.18 0.00 0.14 0.00 0.00 66.00 66.25 3hfx h PRO 177 Cb 2.20 0.25 -0.02 0.00 0.14 0.00 0.00 31.00 33.57 3hfx h PRO 177 CO 1.23 1.31 0.75 -0.07 0.14 0.00 0.00 178.00 181.36 3hfx h LEU 178 N 0.11 0.00 0.00 1.56 3.38 -1.86 0.13 115.31 118.63 3hfx h LEU 178 Ca -0.31 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.41 3hfx h LEU 178 Cb 2.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.81 3hfx h LEU 178 CO 0.19 0.00 -1.95 0.55 0.09 0.00 0.00 178.44 177.32 3hfx n VAL 179 N -3.44 0.96 -1.51 1.22 3.14 -1.25 -4.74 118.33 112.71 3hfx n VAL 179 Ca 0.13 -0.40 -0.40 0.00 -2.96 0.00 0.00 64.34 60.71 3hfx n VAL 179 Cb 0.96 -1.03 -0.10 0.00 -1.06 0.00 0.00 33.84 32.61 3hfx n VAL 179 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hfx n GLY 180 N 2.62 -0.17 0.38 7.55 0.00 0.22 -4.87 105.19 110.91 3hfx n GLY 180 Ca -0.29 0.95 -0.16 0.00 0.00 0.00 0.00 46.02 46.52 3hfx n GLY 180 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hfx h GLU 181 N 14.84 -0.88 -4.44 1.61 4.57 -1.84 -3.34 114.58 125.10 3hfx h GLU 181 Ca -0.14 0.06 -0.75 0.00 -1.18 0.00 0.00 59.36 57.35 3hfx h GLU 181 Cb 1.30 0.20 -0.21 0.00 -0.16 0.00 0.00 28.75 29.88 3hfx h GLU 181 CO 1.27 -0.55 0.98 0.15 -1.18 0.00 0.00 179.01 179.68 3hfx s LYS 182 N -5.32 4.02 0.00 1.92 1.02 -1.26 -4.94 119.74 115.18 3hfx s LYS 182 Ca -0.16 -2.63 0.00 0.00 0.02 0.00 0.00 55.97 53.20 3hfx s LYS 182 Cb 0.02 -4.88 0.00 0.00 -0.52 0.00 0.00 37.83 32.45 3hfx s LYS 182 CO 0.53 -1.61 0.00 0.72 -0.92 0.00 0.00 175.35 174.08 3hfx n HIS 183 N 4.93 0.00 0.00 3.18 8.25 -1.25 -4.59 115.22 125.73 3hfx n HIS 183 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 3hfx n HIS 183 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 3hfx n HIS 183 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hfx n ALA 184 N 0.00 1.48 1.82 -1.41 0.00 -1.26 -0.41 120.51 120.73 3hfx n ALA 184 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3hfx n ALA 184 Cb 0.00 -0.99 0.78 0.00 0.00 0.00 0.00 19.45 19.25 3hfx n ALA 184 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hfx n LYS 185 N -0.96 1.23 0.00 0.00 5.02 -1.26 -3.57 118.16 118.62 3hfx n LYS 185 Ca 0.00 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 3hfx n LYS 185 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 3hfx n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hfx n GLY 186 N 1.05 0.40 0.25 0.72 0.00 0.45 -4.93 105.19 103.13 3hfx n GLY 186 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 3hfx n GLY 186 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hfx n LEU 187 N 0.00 1.73 -0.20 0.99 7.94 -1.26 -4.11 117.00 122.08 3hfx n LEU 187 Ca 0.00 0.30 -0.10 0.00 -1.11 0.00 0.00 56.01 55.09 3hfx n LEU 187 Cb 0.00 -0.70 -0.08 0.00 0.53 0.00 0.00 43.42 43.17 3hfx n LEU 187 CO 0.00 0.23 0.49 0.15 -1.11 0.00 0.00 177.39 177.16 3hfx h PHE 188 N -0.86 -1.44 -0.94 1.96 3.57 -1.83 0.56 116.94 117.96 3hfx h PHE 188 Ca -0.42 0.08 0.21 0.00 3.53 0.00 0.00 57.97 61.37 3hfx h PHE 188 Cb 1.32 0.70 -0.12 0.00 2.79 0.00 0.00 35.95 40.64 3hfx h PHE 188 CO -0.17 -0.36 0.51 0.78 -2.23 0.00 0.00 178.31 176.84 3hfx h GLY 189 N -0.20 1.68 0.79 2.40 0.00 -1.80 -1.81 103.07 104.11 3hfx h GLY 189 Ca 0.09 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 3hfx h GLY 189 CO -0.59 -0.18 -0.41 0.00 0.00 0.00 0.00 176.54 175.37 3hfx h THR 190 N 0.57 1.39 0.00 4.70 1.03 -0.92 -2.02 112.91 117.66 3hfx h THR 190 Ca 0.57 -1.77 0.00 0.00 -0.01 0.00 0.00 66.41 65.21 3hfx h THR 190 Cb 1.01 2.24 0.00 0.00 -1.07 0.00 0.00 68.15 70.33 3hfx h THR 190 CO -0.45 0.52 0.00 2.30 -0.01 0.00 0.00 175.52 177.88 3hfx n ILE 191 N -4.33 0.57 -0.08 0.00 -5.35 0.17 -1.66 119.36 108.68 3hfx n ILE 191 Ca -0.08 0.14 -0.18 0.00 -0.27 0.00 0.00 62.75 62.36 3hfx n ILE 191 Cb 0.55 -0.89 -0.13 0.00 -1.74 0.00 0.00 39.64 37.43 3hfx n ILE 191 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3hfx n VAL 192 N -1.29 1.57 0.13 7.28 0.31 -0.74 -3.59 118.33 122.00 3hfx n VAL 192 Ca 0.07 -0.64 -0.01 0.00 -0.01 0.00 0.00 64.34 63.75 3hfx n VAL 192 Cb 0.12 -1.39 0.15 0.00 -0.91 0.00 0.00 33.84 31.82 3hfx n VAL 192 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3hfx h ASP 193 N 0.02 0.00 0.73 4.52 3.32 -0.55 0.12 116.42 124.58 3hfx h ASP 193 Ca -0.52 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.32 3hfx h ASP 193 Cb 1.98 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.49 3hfx h ASP 193 CO -0.02 0.63 -1.40 -0.55 -1.72 0.00 0.00 179.24 176.19 3hfx h ASN 194 N 0.00 0.00 -0.44 6.45 7.08 -1.64 -1.08 115.58 125.95 3hfx h ASN 194 Ca -0.01 0.00 0.02 0.00 -3.08 0.00 0.00 56.30 53.23 3hfx h ASN 194 Cb 1.15 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.36 3hfx h ASN 194 CO 0.08 0.79 0.27 0.15 -2.08 0.00 0.00 177.43 176.64 3hfx h PHE 195 N 0.00 0.51 0.38 4.14 3.04 -1.58 -0.08 116.94 123.35 3hfx h PHE 195 Ca -0.18 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.77 3hfx h PHE 195 Cb 1.76 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 40.10 3hfx h PHE 195 CO 0.00 0.30 -0.28 -0.92 -2.02 0.00 0.00 178.31 175.39 3hfx h TYR 196 N 0.55 -0.75 -0.99 0.41 3.20 -0.82 -3.17 116.97 115.39 3hfx h TYR 196 Ca 0.17 -0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.28 3hfx h TYR 196 Cb -0.01 0.28 -0.08 0.00 1.54 0.00 0.00 36.73 38.46 3hfx h TYR 196 CO -0.06 -0.40 0.65 -0.07 -1.64 0.00 0.00 178.16 176.64 3hfx h LEU 197 N -0.63 0.43 0.16 2.82 -0.00 -0.91 -1.10 115.31 116.09 3hfx h LEU 197 Ca -0.05 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 3hfx h LEU 197 Cb 0.52 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 3hfx h LEU 197 CO 0.02 0.13 -0.08 0.58 -0.00 0.00 0.00 178.44 179.09 3hfx h VAL 198 N 0.41 0.95 -0.59 1.22 2.07 -1.02 0.93 116.25 120.22 3hfx h VAL 198 Ca 0.54 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3hfx h VAL 198 Cb 1.36 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 3hfx h VAL 198 CO -0.24 0.14 0.27 0.00 0.02 0.00 0.00 177.57 177.76 3hfx h ALA 199 N 0.27 0.77 -0.33 1.67 0.00 -1.41 -0.80 119.26 119.43 3hfx h ALA 199 Ca -0.02 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3hfx h ALA 199 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hfx h ALA 199 CO 0.04 0.34 0.22 1.25 0.00 0.00 0.00 179.25 181.10 3hfx h LEU 200 N 0.81 0.26 0.01 0.00 5.85 -0.99 0.83 115.31 122.08 3hfx h LEU 200 Ca 0.20 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3hfx h LEU 200 Cb 0.14 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3hfx h LEU 200 CO -0.02 0.18 -0.00 0.16 -0.34 0.00 0.00 178.44 178.41 3hfx h ILE 201 N 0.30 1.56 -1.00 4.05 3.07 -0.49 -2.65 117.51 122.36 3hfx h ILE 201 Ca 0.14 -1.98 0.36 0.00 1.55 0.00 0.00 64.86 64.92 3hfx h ILE 201 Cb 0.17 2.86 -0.16 0.00 -0.27 0.00 0.00 36.82 39.41 3hfx h ILE 201 CO -0.03 0.49 0.52 -0.26 -1.05 0.00 0.00 178.15 177.83 3hfx h PHE 202 N -0.90 0.82 -0.08 0.16 0.05 -0.69 0.72 116.94 117.02 3hfx h PHE 202 Ca -0.00 0.04 -0.03 0.00 3.82 0.00 0.00 57.97 61.80 3hfx h PHE 202 Cb 0.82 -0.19 -0.00 0.00 2.00 0.00 0.00 35.95 38.58 3hfx h PHE 202 CO 0.22 -0.32 -0.07 0.00 -0.18 0.00 0.00 178.31 177.96 3hfx h ALA 203 N 1.92 0.11 -0.52 2.45 0.00 -0.90 0.36 119.26 122.68 3hfx h ALA 203 Ca 0.77 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 55.49 3hfx h ALA 203 Cb 1.88 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 3hfx h ALA 203 CO -0.69 -0.08 0.35 0.52 0.00 0.00 0.00 179.25 179.35 3hfx h MET 204 N -0.24 0.30 -0.04 0.00 2.86 -0.35 0.20 114.93 117.67 3hfx h MET 204 Ca 0.01 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 3hfx h MET 204 Cb 0.57 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3hfx h MET 204 CO 0.02 0.20 -0.46 0.78 1.06 0.00 0.00 176.91 178.50 3hfx h GLY 205 N 0.31 0.10 1.22 8.32 0.00 0.69 -2.42 103.07 111.29 3hfx h GLY 205 Ca 0.24 -0.10 -0.29 0.00 0.00 0.00 0.00 47.33 47.18 3hfx h GLY 205 CO -0.05 0.09 -1.19 -0.84 0.00 0.00 0.00 176.54 174.55 3hfx h THR 206 N 0.08 1.28 0.17 4.70 2.02 0.15 -1.06 112.91 120.25 3hfx h THR 206 Ca 0.00 -2.40 0.01 0.00 0.77 0.00 0.00 66.41 64.80 3hfx h THR 206 Cb 0.85 2.61 -0.03 0.00 -1.74 0.00 0.00 68.15 69.84 3hfx h THR 206 CO 0.06 0.73 -0.24 0.28 0.37 0.00 0.00 175.52 176.73 3hfx h SER 207 N 0.31 -0.66 -0.17 4.18 0.02 -1.09 -2.75 113.55 113.39 3hfx h SER 207 Ca -0.17 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3hfx h SER 207 Cb 1.86 0.24 -0.05 0.00 0.14 0.00 0.00 62.40 64.59 3hfx h SER 207 CO 0.23 -0.34 -0.41 0.25 -1.14 0.00 0.00 176.83 175.42 3hfx h LEU 208 N -0.47 -1.32 -0.36 5.07 7.12 -1.46 0.22 115.31 124.11 3hfx h LEU 208 Ca 0.01 0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.19 3hfx h LEU 208 Cb 0.47 0.52 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 3hfx h LEU 208 CO -0.10 -0.34 0.00 0.61 -0.13 0.00 0.00 178.44 178.48 3hfx n GLY 209 N -1.31 -0.03 0.67 3.75 0.00 -0.40 -1.41 105.19 106.46 3hfx n GLY 209 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3hfx n GLY 209 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hfx n LEU 210 N -0.20 1.04 0.27 0.99 4.77 -0.75 -4.79 117.00 118.33 3hfx n LEU 210 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3hfx n LEU 210 Cb 0.03 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 41.85 3hfx n LEU 210 CO 0.00 0.15 1.05 0.00 -1.33 0.00 0.00 177.39 177.26 3hfx h ALA 211 N 0.00 1.68 0.49 -1.18 0.00 0.62 -3.24 119.26 117.63 3hfx h ALA 211 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hfx h ALA 211 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hfx h ALA 211 CO 0.00 0.06 -0.24 1.79 0.00 0.00 0.00 179.25 180.86 3hfx h THR 212 N 0.00 0.00 -1.00 0.00 1.35 -1.52 -3.16 112.91 108.58 3hfx h THR 212 Ca -0.00 -0.52 0.29 0.00 -0.55 0.00 0.00 66.41 65.63 3hfx h THR 212 Cb 0.10 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 66.48 3hfx h THR 212 CO 0.01 0.00 0.75 -0.65 -0.25 0.00 0.00 175.52 175.38 3hfx h PRO 213 N -1.18 0.00 -0.18 4.72 0.11 -1.84 0.19 132.00 133.82 3hfx h PRO 213 Ca -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 3hfx h PRO 213 Cb 0.51 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3hfx h PRO 213 CO 0.11 0.00 0.03 -0.07 -0.21 0.00 0.00 178.00 177.86 3hfx h LEU 214 N 0.00 0.28 -0.01 2.35 4.07 -1.61 0.12 115.31 120.51 3hfx h LEU 214 Ca 0.48 -0.25 -0.00 0.00 0.08 0.00 0.00 57.88 58.18 3hfx h LEU 214 Cb 1.98 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 43.64 3hfx h LEU 214 CO -0.01 0.46 0.00 0.58 -1.08 0.00 0.00 178.44 178.39 3hfx h VAL 215 N 0.08 1.24 -0.53 1.22 2.07 -0.98 -1.20 116.25 118.15 3hfx h VAL 215 Ca 0.05 -0.71 0.09 0.00 0.82 0.00 0.00 66.70 66.95 3hfx h VAL 215 Cb 0.30 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 3hfx h VAL 215 CO 0.00 0.19 0.13 0.74 0.02 0.00 0.00 177.57 178.65 3hfx h THR 216 N -0.29 0.73 -0.10 2.57 2.02 -0.75 -0.81 112.91 116.29 3hfx h THR 216 Ca 0.00 -0.10 -0.20 0.00 0.77 0.00 0.00 66.41 66.88 3hfx h THR 216 Cb 0.30 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3hfx h THR 216 CO 0.00 0.05 -0.77 -0.08 0.37 0.00 0.00 175.52 175.09 3hfx h GLU 217 N 0.28 0.55 -0.50 6.66 4.57 -0.80 -2.16 114.58 123.18 3hfx h GLU 217 Ca 0.27 -0.46 0.14 0.00 -1.18 0.00 0.00 59.36 58.13 3hfx h GLU 217 Cb 0.35 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3hfx h GLU 217 CO -0.32 1.09 0.45 0.00 -1.18 0.00 0.00 179.01 179.04 3hfx h MET 219 N 0.00 0.40 -0.09 0.00 2.86 -0.48 -2.23 114.93 115.39 3hfx h MET 219 Ca 0.24 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3hfx h MET 219 Cb 1.13 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.83 3hfx h MET 219 CO -0.00 0.89 0.00 1.04 1.06 0.00 0.00 176.91 179.90 3hfx n GLN 220 N -3.90 0.29 -2.84 1.72 6.02 -0.81 -2.12 117.38 115.75 3hfx n GLN 220 Ca -0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.75 3hfx n GLN 220 Cb 0.63 -1.05 -0.01 0.00 1.02 0.00 0.00 30.24 30.84 3hfx n GLN 220 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 3hfx n TRP 221 N -0.24 2.20 -2.68 1.08 7.02 -0.84 -4.35 117.44 119.64 3hfx n TRP 221 Ca 0.00 -3.47 -0.04 0.00 -1.02 0.00 0.00 57.50 52.97 3hfx n TRP 221 Cb 0.02 -0.35 0.05 0.00 -2.42 0.00 0.00 31.31 28.61 3hfx n TRP 221 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 3hfx n LEU 222 N -0.12 -1.68 -0.76 -0.99 7.94 -0.90 -4.89 117.00 115.60 3hfx n LEU 222 Ca 0.26 -1.56 -0.04 0.00 -1.11 0.00 0.00 56.01 53.57 3hfx n LEU 222 Cb 0.62 0.59 -0.02 0.00 0.53 0.00 0.00 43.42 45.15 3hfx n LEU 222 CO 0.29 1.43 -0.03 0.49 -1.11 0.00 0.00 177.39 178.45 3hfx n PHE 223 N 2.20 -0.49 -2.20 1.96 3.72 -1.26 -3.47 117.46 117.93 3hfx n PHE 223 Ca 0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.47 3hfx n PHE 223 Cb 0.66 -1.39 0.00 0.00 -0.94 0.00 0.00 39.48 37.81 3hfx n PHE 223 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hfx n GLY 224 N 0.02 0.47 3.62 1.37 0.00 -1.25 -5.01 105.19 104.41 3hfx n GLY 224 Ca -0.04 -0.76 -0.49 0.00 0.00 0.00 0.00 46.02 44.74 3hfx n GLY 224 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hfx n ILE 225 N -3.60 0.27 -0.23 -0.61 2.08 -1.22 -4.78 119.36 111.26 3hfx n ILE 225 Ca -0.01 -0.07 -0.22 0.00 0.56 0.00 0.00 62.75 63.01 3hfx n ILE 225 Cb 0.51 -1.09 0.21 0.00 -0.75 0.00 0.00 39.64 38.52 3hfx n ILE 225 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 3hfx n PRO 226 N 2.57 -3.98 -0.01 0.38 -0.04 -1.26 -3.09 135.00 129.56 3hfx n PRO 226 Ca 0.17 -1.08 -0.01 0.00 -0.04 0.00 0.00 63.50 62.53 3hfx n PRO 226 Cb 0.24 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.32 3hfx n PRO 226 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3hfx n HIS 227 N -5.00 0.00 0.00 0.54 1.44 -1.26 -4.71 115.22 106.24 3hfx n HIS 227 Ca 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.81 3hfx n HIS 227 Cb 0.44 -0.10 0.00 0.00 0.12 0.00 0.00 29.99 30.45 3hfx n HIS 227 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 3hfx n THR 228 N -2.28 0.00 -0.33 0.61 5.66 -1.26 -3.57 114.28 113.11 3hfx n THR 228 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 3hfx n THR 228 Cb 0.56 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.40 3hfx n THR 228 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 3hfx h LEU 229 N 0.00 -1.18 -0.89 1.09 5.85 -1.99 0.86 115.31 119.04 3hfx h LEU 229 Ca 0.00 0.28 0.22 0.00 0.84 0.00 0.00 57.88 59.22 3hfx h LEU 229 Cb 0.00 0.66 -0.17 0.00 0.37 0.00 0.00 40.66 41.52 3hfx h LEU 229 CO 0.00 -0.30 -0.08 1.67 -0.34 0.00 0.00 178.44 179.39 3hfx n GLN 230 N -5.51 -0.07 -0.02 1.25 7.27 -1.26 0.68 117.38 119.72 3hfx n GLN 230 Ca 0.11 1.36 -0.11 0.00 0.07 0.00 0.00 57.00 58.42 3hfx n GLN 230 Cb 0.41 -2.11 0.02 0.00 2.41 0.00 0.00 30.24 30.98 3hfx n GLN 230 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 3hfx h LEU 231 N 0.00 0.74 -0.36 1.69 7.12 0.53 0.25 115.31 125.29 3hfx h LEU 231 Ca 0.50 -0.40 0.05 0.00 0.13 0.00 0.00 57.88 58.16 3hfx h LEU 231 Cb 0.93 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 40.80 3hfx h LEU 231 CO -0.87 1.14 0.09 0.44 -0.13 0.00 0.00 178.44 179.11 3hfx h ASP 232 N 0.51 0.05 -0.35 1.25 3.32 0.18 -1.63 116.42 119.76 3hfx h ASP 232 Ca 0.01 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3hfx h ASP 232 Cb 1.11 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 3hfx h ASP 232 CO 0.11 0.07 0.14 0.00 -1.72 0.00 0.00 179.24 177.84 3hfx h ALA 233 N 1.25 1.48 -0.00 3.45 0.00 0.11 -2.53 119.26 123.01 3hfx h ALA 233 Ca 0.17 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3hfx h ALA 233 Cb 0.17 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hfx h ALA 233 CO -0.20 0.39 -0.40 0.82 0.00 0.00 0.00 179.25 179.86 3hfx h ILE 234 N 0.58 1.49 0.00 0.00 2.04 -0.26 -3.19 117.51 118.17 3hfx h ILE 234 Ca 0.14 -2.00 -0.07 0.00 1.00 0.00 0.00 64.86 63.93 3hfx h ILE 234 Cb 0.16 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 3hfx h ILE 234 CO -0.01 0.56 -0.33 0.16 0.00 0.00 0.00 178.15 178.53 3hfx h ILE 235 N -0.33 1.23 -0.43 -0.67 3.07 -1.20 0.23 117.51 119.42 3hfx h ILE 235 Ca -0.05 -1.12 -0.09 0.00 1.55 0.00 0.00 64.86 65.14 3hfx h ILE 235 Cb 1.13 1.61 -0.01 0.00 -0.27 0.00 0.00 36.82 39.28 3hfx h ILE 235 CO 0.08 0.32 -0.10 0.16 -1.05 0.00 0.00 178.15 177.56 3hfx h ILE 236 N 0.00 1.27 -0.03 0.16 3.07 -1.55 0.11 117.51 120.54 3hfx h ILE 236 Ca -0.00 -1.20 -0.18 0.00 1.55 0.00 0.00 64.86 65.02 3hfx h ILE 236 Cb 0.58 1.17 -0.01 0.00 -0.27 0.00 0.00 36.82 38.29 3hfx h ILE 236 CO 0.04 0.41 -0.79 0.00 -1.05 0.00 0.00 178.15 176.76 3hfx h THR 237 N 0.65 1.44 -0.38 0.16 1.03 -1.47 -2.24 112.91 112.10 3hfx h THR 237 Ca 0.11 -2.38 0.06 0.00 -0.01 0.00 0.00 66.41 64.18 3hfx h THR 237 Cb 0.63 2.30 -0.02 0.00 -1.07 0.00 0.00 68.15 69.99 3hfx h THR 237 CO 0.04 0.70 0.26 0.00 -0.01 0.00 0.00 175.52 176.51 3hfx n TRP 239 N -4.48 0.00 -0.16 0.00 5.03 0.35 -2.67 117.44 115.51 3hfx n TRP 239 Ca 0.05 0.00 0.15 0.00 3.03 0.00 0.00 57.50 60.72 3hfx n TRP 239 Cb 0.25 -0.46 0.49 0.00 -1.03 0.00 0.00 31.31 30.56 3hfx n TRP 239 CO 0.00 0.00 0.00 -0.84 -0.03 0.00 0.00 177.69 176.82 3hfx h ILE 240 N 0.00 0.82 0.16 -0.99 3.07 -0.93 0.15 117.51 119.78 3hfx h ILE 240 Ca 0.00 -0.15 -0.01 0.00 1.55 0.00 0.00 64.86 66.25 3hfx h ILE 240 Cb 0.00 0.34 0.00 0.00 -0.27 0.00 0.00 36.82 36.89 3hfx h ILE 240 CO 0.00 0.08 -0.07 0.16 -1.05 0.00 0.00 178.15 177.26 3hfx h ILE 241 N 0.44 0.98 0.00 0.16 3.07 -1.41 0.84 117.51 121.58 3hfx h ILE 241 Ca 0.36 -0.67 0.00 0.00 1.55 0.00 0.00 64.86 66.10 3hfx h ILE 241 Cb 0.79 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.72 3hfx h ILE 241 CO -0.12 0.15 0.00 0.25 -1.05 0.00 0.00 178.15 177.39 3hfx h LEU 242 N -0.53 0.00 0.00 0.16 6.46 -0.59 0.98 115.31 121.79 3hfx h LEU 242 Ca -0.02 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.40 3hfx h LEU 242 Cb 0.41 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.28 3hfx h LEU 242 CO 0.04 0.00 -2.31 0.59 -0.62 0.00 0.00 178.44 176.14 3hfx n ASN 243 N -2.49 0.23 0.09 1.25 3.02 0.06 -3.35 115.26 114.07 3hfx n ASN 243 Ca -0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.41 3hfx n ASN 243 Cb 0.06 1.03 -0.08 0.00 -0.61 0.00 0.00 39.78 40.17 3hfx n ASN 243 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hfx h ALA 244 N 1.00 -0.27 0.00 5.41 0.00 0.16 -2.99 119.26 122.57 3hfx h ALA 244 Ca -0.50 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3hfx h ALA 244 Cb 2.13 0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.02 3hfx h ALA 244 CO 0.03 -0.43 0.00 0.44 0.00 0.00 0.00 179.25 179.29 3hfx n ILE 245 N -5.02 0.00 -0.02 0.00 -5.35 0.26 -0.80 119.36 108.44 3hfx n ILE 245 Ca -0.09 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.21 3hfx n ILE 245 Cb 0.26 -0.75 -0.14 0.00 -1.74 0.00 0.00 39.64 37.27 3hfx n ILE 245 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hfx h VAL 247 N 0.05 1.29 -0.50 0.00 2.07 -0.82 -3.37 116.25 114.97 3hfx h VAL 247 Ca -0.42 -1.68 0.09 0.00 0.82 0.00 0.00 66.70 65.51 3hfx h VAL 247 Cb 2.02 1.72 -0.09 0.00 -1.52 0.00 0.00 31.29 33.42 3hfx h VAL 247 CO 0.06 0.54 -0.14 0.00 0.02 0.00 0.00 177.57 178.05 3hfx n ALA 248 N -2.55 0.08 -2.53 1.67 0.00 -0.17 -4.28 120.51 112.73 3hfx n ALA 248 Ca -0.05 0.53 -0.25 0.00 0.00 0.00 0.00 53.44 53.67 3hfx n ALA 248 Cb 0.59 -0.30 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 3hfx n ALA 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hfx s GLY 250 N -3.61 1.95 -0.30 0.00 0.00 -1.26 -4.94 107.32 99.16 3hfx s GLY 250 Ca 0.32 -1.60 -0.20 0.00 0.00 0.00 0.00 44.72 43.25 3hfx s GLY 250 CO 0.17 0.83 1.33 1.08 0.00 0.00 0.00 173.10 176.50 3hfx s LEU 251 N 1.63 -0.00 -0.24 0.66 1.43 -1.26 -5.05 118.68 115.84 3hfx s LEU 251 Ca 0.04 0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3hfx s LEU 251 Cb -0.18 1.00 0.19 0.00 0.03 0.00 0.00 46.19 47.23 3hfx s LEU 251 CO 0.08 -0.00 1.89 0.00 0.23 0.00 0.00 176.35 178.55 3hfx n GLN 252 N 4.37 1.62 0.00 1.70 10.64 -1.26 -4.24 117.38 130.21 3hfx n GLN 252 Ca -0.07 -1.26 0.13 0.00 -1.83 0.00 0.00 57.00 53.98 3hfx n GLN 252 Cb 0.56 -1.49 0.72 0.00 -0.86 0.00 0.00 30.24 29.17 3hfx n GLN 252 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3hfx n LYS 253 N 0.43 0.55 0.00 2.61 4.81 -1.26 -3.14 118.16 122.16 3hfx n LYS 253 Ca 0.24 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 3hfx n LYS 253 Cb 0.64 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.19 3hfx n LYS 253 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hfx n GLY 254 N 0.86 0.00 0.21 3.14 0.00 -1.26 -4.75 105.19 103.39 3hfx n GLY 254 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 3hfx n GLY 254 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hfx h VAL 255 N 0.00 0.10 0.35 1.61 2.07 -1.82 -0.17 116.25 118.38 3hfx h VAL 255 Ca 0.00 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 3hfx h VAL 255 Cb 0.50 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3hfx h VAL 255 CO 0.00 0.06 -0.17 -0.09 0.02 0.00 0.00 177.57 177.39 3hfx h ARG 256 N 0.00 -0.46 0.00 1.57 1.12 -1.88 -3.30 114.38 111.43 3hfx h ARG 256 Ca -0.00 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 3hfx h ARG 256 Cb 1.04 0.10 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 3hfx h ARG 256 CO 0.01 -0.15 0.00 -0.84 -3.11 0.00 0.00 179.97 175.88 3hfx h ILE 257 N -0.97 0.00 0.83 1.20 -0.00 -1.74 -3.08 117.51 113.75 3hfx h ILE 257 Ca -0.05 -0.26 -0.04 0.00 -0.00 0.00 0.00 64.86 64.51 3hfx h ILE 257 Cb 0.52 1.04 0.01 0.00 -0.00 0.00 0.00 36.82 38.39 3hfx h ILE 257 CO 0.08 0.00 -0.40 0.00 -0.00 0.00 0.00 178.15 177.83 3hfx h ALA 258 N 2.15 -1.12 -0.79 0.16 0.00 -1.10 -2.04 119.26 116.52 3hfx h ALA 258 Ca 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.77 3hfx h ALA 258 Cb 0.33 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 3hfx h ALA 258 CO 0.00 -1.07 0.41 1.03 0.00 0.00 0.00 179.25 179.62 3hfx h SER 259 N -1.24 0.54 0.38 0.00 0.87 -1.63 0.80 113.55 113.29 3hfx h SER 259 Ca -0.11 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3hfx h SER 259 Cb 0.87 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 3hfx h SER 259 CO 0.19 0.29 -0.02 -0.78 -0.53 0.00 0.00 176.83 175.97 3hfx h ASP 260 N 0.66 0.00 0.00 6.23 1.82 -1.50 -1.92 116.42 121.72 3hfx h ASP 260 Ca 0.40 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.97 3hfx h ASP 260 Cb 0.46 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 3hfx h ASP 260 CO -0.29 0.02 -0.58 0.58 -1.61 0.00 0.00 179.24 177.36 3hfx h VAL 261 N 0.00 0.58 -1.24 2.25 2.07 -0.32 -3.00 116.25 116.59 3hfx h VAL 261 Ca -0.00 -1.60 0.38 0.00 0.82 0.00 0.00 66.70 66.31 3hfx h VAL 261 Cb 0.22 1.26 -0.11 0.00 -1.52 0.00 0.00 31.29 31.14 3hfx h VAL 261 CO 0.00 0.20 0.81 -0.09 0.02 0.00 0.00 177.57 178.51 3hfx h ARG 262 N -1.00 0.17 0.00 1.57 1.12 -0.65 0.93 114.38 116.53 3hfx h ARG 262 Ca -0.11 -0.01 -0.26 0.00 -1.11 0.00 0.00 59.98 58.49 3hfx h ARG 262 Cb 0.75 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.63 3hfx h ARG 262 CO -0.07 0.11 -1.44 0.66 -3.11 0.00 0.00 179.97 176.12 3hfx h SER 263 N 0.17 0.00 -0.13 -3.80 4.64 -1.53 -2.83 113.55 110.06 3hfx h SER 263 Ca 0.74 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 62.04 3hfx h SER 263 Cb 2.26 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.34 3hfx h SER 263 CO -0.36 1.01 0.04 1.88 -0.87 0.00 0.00 176.83 178.52 3hfx h TYR 264 N 0.00 0.22 0.19 4.77 0.05 0.70 -3.00 116.97 119.89 3hfx h TYR 264 Ca -0.18 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.56 3hfx h TYR 264 Cb 1.92 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 39.60 3hfx h TYR 264 CO 0.00 0.36 -0.09 1.25 -1.05 0.00 0.00 178.16 178.63 3hfx h LEU 265 N 0.02 -0.21 -0.84 3.88 5.85 0.04 -2.82 115.31 121.23 3hfx h LEU 265 Ca 0.04 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.72 3hfx h LEU 265 Cb 0.24 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 3hfx h LEU 265 CO -0.00 0.07 0.43 0.77 -0.34 0.00 0.00 178.44 179.37 3hfx h SER 266 N -0.50 0.53 0.74 1.25 4.64 -1.57 0.51 113.55 119.14 3hfx h SER 266 Ca -0.03 0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.25 3hfx h SER 266 Cb 0.38 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 3hfx h SER 266 CO 0.04 0.23 -0.62 -0.26 -0.87 0.00 0.00 176.83 175.34 3hfx h PHE 267 N 0.62 0.00 -0.02 4.77 0.05 -1.57 -0.97 116.94 119.82 3hfx h PHE 267 Ca 0.46 0.00 -0.18 0.00 3.82 0.00 0.00 57.97 62.07 3hfx h PHE 267 Cb 0.64 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.57 3hfx h PHE 267 CO -0.09 0.62 -0.78 1.25 -0.18 0.00 0.00 178.31 179.13 3hfx h LEU 268 N 0.00 0.26 -0.15 1.54 7.12 -0.92 -0.36 115.31 122.80 3hfx h LEU 268 Ca -0.01 -0.19 -0.23 0.00 0.13 0.00 0.00 57.88 57.59 3hfx h LEU 268 Cb 1.16 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 3hfx h LEU 268 CO 0.08 0.94 -0.96 -0.03 -0.13 0.00 0.00 178.44 178.34 3hfx h MET 269 N 0.13 0.42 0.06 1.25 4.05 0.17 -1.63 114.93 119.38 3hfx h MET 269 Ca -0.03 -0.46 -0.24 0.00 -0.28 0.00 0.00 59.70 58.69 3hfx h MET 269 Cb 1.36 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 32.28 3hfx h MET 269 CO 0.12 1.12 -1.10 -0.07 0.23 0.00 0.00 176.91 177.21 3hfx h LEU 270 N 0.24 0.22 -0.65 3.39 3.38 -1.21 -0.78 115.31 119.91 3hfx h LEU 270 Ca -0.08 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.66 3hfx h LEU 270 Cb 1.60 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.24 3hfx h LEU 270 CO 0.17 1.17 0.42 1.23 0.09 0.00 0.00 178.44 181.52 3hfx h GLY 271 N 2.22 0.91 0.59 0.83 0.00 -1.09 0.16 103.07 106.69 3hfx h GLY 271 Ca -0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 3hfx h GLY 271 CO 0.16 0.32 -0.32 -0.25 0.00 0.00 0.00 176.54 176.46 3hfx h TRP 272 N 0.86 -0.83 -0.67 5.60 2.91 -1.06 -0.45 115.95 122.31 3hfx h TRP 272 Ca 0.24 -0.01 0.14 0.00 1.13 0.00 0.00 58.89 60.38 3hfx h TRP 272 Cb -0.08 0.28 -0.10 0.00 -0.51 0.00 0.00 29.16 28.75 3hfx h TRP 272 CO -0.03 -0.49 0.16 0.28 -1.03 0.00 0.00 178.44 177.32 3hfx h VAL 273 N -0.83 0.58 -0.04 2.65 2.07 -1.12 -1.67 116.25 117.88 3hfx h VAL 273 Ca -0.08 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3hfx h VAL 273 Cb 0.65 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3hfx h VAL 273 CO 0.11 0.05 -0.40 0.15 0.02 0.00 0.00 177.57 177.50 3hfx h PHE 274 N 0.27 -1.18 0.22 1.57 3.57 -0.53 0.64 116.94 121.50 3hfx h PHE 274 Ca 0.37 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.90 3hfx h PHE 274 Cb 0.58 0.52 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 3hfx h PHE 274 CO -0.25 -0.41 -0.16 0.97 -2.23 0.00 0.00 178.31 176.22 3hfx h ILE 275 N -0.47 0.66 -0.75 1.41 6.09 -0.41 -2.62 117.51 121.42 3hfx h ILE 275 Ca 0.01 0.00 0.09 0.00 -1.37 0.00 0.00 64.86 63.59 3hfx h ILE 275 Cb 0.52 0.66 -0.07 0.00 0.47 0.00 0.00 36.82 38.40 3hfx h ILE 275 CO -0.29 0.00 0.41 0.58 -3.07 0.00 0.00 178.15 175.78 3hfx h VAL 276 N -0.38 0.89 0.00 2.19 2.07 -1.34 -2.76 116.25 116.91 3hfx h VAL 276 Ca -0.02 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3hfx h VAL 276 Cb 0.33 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3hfx h VAL 276 CO 0.00 0.13 0.00 0.28 0.02 0.00 0.00 177.57 178.00 3hfx h SER 277 N 0.70 0.00 0.00 0.57 0.02 -0.47 -3.46 113.55 110.90 3hfx h SER 277 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3hfx h SER 277 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3hfx h SER 277 CO -0.25 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.05 3hfx n GLY 278 N -0.47 0.78 0.21 -3.77 0.00 -1.04 -4.89 105.19 96.00 3hfx n GLY 278 Ca -0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.18 3hfx n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfx h ALA 279 N 0.00 0.64 -0.57 4.61 0.00 -1.70 -2.73 119.26 119.50 3hfx h ALA 279 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hfx h ALA 279 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hfx h ALA 279 CO 0.00 -0.21 0.18 1.03 0.00 0.00 0.00 179.25 180.25 3hfx h SER 280 N 0.37 0.79 0.14 0.00 0.87 -1.95 -0.88 113.55 112.89 3hfx h SER 280 Ca 0.25 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3hfx h SER 280 Cb 0.27 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3hfx h SER 280 CO -0.25 0.74 -0.07 0.15 -0.53 0.00 0.00 176.83 176.88 3hfx h PHE 281 N 0.83 -0.17 -0.21 2.24 3.57 -1.83 -2.81 116.94 118.55 3hfx h PHE 281 Ca 0.19 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.70 3hfx h PHE 281 Cb 0.24 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3hfx h PHE 281 CO 0.02 0.14 0.11 0.82 -2.23 0.00 0.00 178.31 177.16 3hfx h ILE 282 N -0.49 1.00 -0.25 1.41 2.04 -1.39 0.13 117.51 119.97 3hfx h ILE 282 Ca -0.02 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3hfx h ILE 282 Cb 0.39 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3hfx h ILE 282 CO 0.03 0.04 0.28 0.24 0.00 0.00 0.00 178.15 178.75 3hfx h MET 283 N 0.23 0.00 0.01 2.37 2.86 -1.19 0.38 114.93 119.58 3hfx h MET 283 Ca 0.08 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.54 3hfx h MET 283 Cb 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3hfx h MET 283 CO -0.05 0.00 -1.02 -0.91 1.06 0.00 0.00 176.91 175.98 3hfx h ASN 284 N 0.00 0.02 -0.50 1.22 2.35 -0.90 -3.15 115.58 114.62 3hfx h ASN 284 Ca 0.12 -0.63 0.01 0.00 -0.55 0.00 0.00 56.30 55.25 3hfx h ASN 284 Cb 0.68 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 3hfx h ASN 284 CO -0.00 1.40 0.33 0.22 -1.65 0.00 0.00 177.43 177.74 3hfx h TYR 285 N -0.96 0.63 0.89 1.19 3.20 -0.09 0.11 116.97 121.95 3hfx h TYR 285 Ca -0.28 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.56 3hfx h TYR 285 Cb 1.27 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 39.34 3hfx h TYR 285 CO 0.14 0.40 -0.43 0.35 -1.64 0.00 0.00 178.16 176.97 3hfx h PHE 286 N 0.68 -1.11 -0.60 -3.82 3.57 -0.45 -0.39 116.94 114.82 3hfx h PHE 286 Ca 0.19 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.78 3hfx h PHE 286 Cb -0.07 0.37 -0.12 0.00 2.79 0.00 0.00 35.95 38.92 3hfx h PHE 286 CO -0.00 -0.69 -0.24 1.15 -2.23 0.00 0.00 178.31 176.30 3hfx h THR 287 N -1.30 0.28 -0.84 4.41 2.02 -1.29 0.12 112.91 116.31 3hfx h THR 287 Ca -0.12 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3hfx h THR 287 Cb 0.92 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3hfx h THR 287 CO 0.20 0.00 0.45 -0.78 0.37 0.00 0.00 175.52 175.76 3hfx h ASP 288 N -0.09 1.05 0.62 4.18 1.82 -0.87 -2.69 116.42 120.44 3hfx h ASP 288 Ca 0.27 -0.10 -0.06 0.00 -0.39 0.00 0.00 57.03 56.76 3hfx h ASP 288 Cb 0.51 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 3hfx h ASP 288 CO -0.66 0.85 -0.28 0.28 -1.61 0.00 0.00 179.24 177.82 3hfx h SER 289 N 1.18 0.00 0.63 2.28 0.02 0.93 -0.36 113.55 118.23 3hfx h SER 289 Ca 0.29 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 3hfx h SER 289 Cb 0.04 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.59 3hfx h SER 289 CO -0.05 0.28 -0.30 0.58 -1.14 0.00 0.00 176.83 176.21 3hfx h VAL 290 N 0.00 0.24 -0.81 2.27 2.07 -0.65 0.17 116.25 119.53 3hfx h VAL 290 Ca -0.00 -0.29 0.18 0.00 0.82 0.00 0.00 66.70 67.40 3hfx h VAL 290 Cb 0.67 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 3hfx h VAL 290 CO 0.04 0.03 0.55 1.23 0.02 0.00 0.00 177.57 179.43 3hfx h GLY 291 N -1.07 0.72 0.79 2.17 0.00 -1.37 0.35 103.07 104.66 3hfx h GLY 291 Ca -0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 3hfx h GLY 291 CO 0.14 0.03 -0.10 1.98 0.00 0.00 0.00 176.54 178.59 3hfx h MET 292 N 0.38 0.39 -0.11 4.80 4.05 -0.89 -2.05 114.93 121.50 3hfx h MET 292 Ca 0.41 -0.18 0.03 0.00 -0.28 0.00 0.00 59.70 59.69 3hfx h MET 292 Cb 1.02 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.78 3hfx h MET 292 CO -0.13 0.70 -0.10 1.25 0.23 0.00 0.00 176.91 178.85 3hfx h LEU 293 N 0.08 -0.32 -0.25 3.39 5.85 0.17 -0.77 115.31 123.45 3hfx h LEU 293 Ca 0.04 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3hfx h LEU 293 Cb 0.59 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3hfx h LEU 293 CO 0.03 -0.14 0.13 -0.07 -0.34 0.00 0.00 178.44 178.05 3hfx h LEU 294 N -0.13 0.32 -0.54 2.25 3.38 -0.46 0.27 115.31 120.41 3hfx h LEU 294 Ca 0.08 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.05 3hfx h LEU 294 Cb 0.24 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 3hfx h LEU 294 CO -0.18 0.34 -0.04 -0.03 0.09 0.00 0.00 178.44 178.61 3hfx h MET 295 N 0.28 0.08 -0.01 1.13 4.05 -1.25 -3.18 114.93 116.03 3hfx h MET 295 Ca 0.09 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 3hfx h MET 295 Cb 0.09 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 3hfx h MET 295 CO -0.01 0.05 -0.53 0.66 0.23 0.00 0.00 176.91 177.31 3hfx n TYR 296 N -5.29 0.00 -0.20 1.39 4.02 -0.31 -4.65 117.16 112.13 3hfx n TYR 296 Ca 0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.94 3hfx n TYR 296 Cb 0.30 -0.06 0.06 0.00 -0.02 0.00 0.00 39.34 39.61 3hfx n TYR 296 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3hfx h LEU 297 N 1.35 -0.60 -1.84 7.72 5.85 -0.45 0.28 115.31 127.61 3hfx h LEU 297 Ca 0.00 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3hfx h LEU 297 Cb 0.61 0.39 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3hfx h LEU 297 CO 0.00 -0.21 -0.09 1.55 -0.34 0.00 0.00 178.44 179.35 3hfx h PRO 298 N -0.01 0.00 0.21 5.25 0.13 -1.83 -2.20 132.00 133.56 3hfx h PRO 298 Ca 0.29 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 65.10 3hfx h PRO 298 Cb 0.46 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.61 3hfx h PRO 298 CO -0.64 0.09 -1.50 -0.09 -0.23 0.00 0.00 178.00 175.64 3hfx h ARG 299 N 0.00 0.45 0.00 0.86 9.65 -0.87 -3.25 114.38 121.22 3hfx h ARG 299 Ca -0.00 -0.77 -0.06 0.00 -1.10 0.00 0.00 59.98 58.05 3hfx h ARG 299 Cb 0.39 0.29 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 3hfx h ARG 299 CO 0.01 1.37 -0.31 0.52 2.80 0.00 0.00 179.97 184.36 3hfx h MET 300 N 0.04 0.00 -0.19 0.20 0.00 -0.85 -2.31 114.93 111.82 3hfx h MET 300 Ca -0.28 0.00 -0.07 0.00 0.00 0.00 0.00 59.70 59.35 3hfx h MET 300 Cb 2.06 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 33.66 3hfx h MET 300 CO 0.21 0.31 -0.15 -0.07 0.00 0.00 0.00 176.91 177.21 3hfx h LEU 301 N 0.00 0.46 -3.53 1.22 3.38 -1.46 -3.17 115.31 112.21 3hfx h LEU 301 Ca -0.00 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.41 3hfx h LEU 301 Cb 0.61 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 3hfx h LEU 301 CO 0.04 0.82 0.10 0.49 0.09 0.00 0.00 178.44 179.98 3hfx n PHE 302 N -4.51 1.81 -2.50 1.13 3.72 -1.21 -4.84 117.46 111.07 3hfx n PHE 302 Ca -0.05 -1.04 -0.43 0.00 -0.05 0.00 0.00 57.45 55.88 3hfx n PHE 302 Cb 0.37 -0.53 -0.02 0.00 -0.94 0.00 0.00 39.48 38.36 3hfx n PHE 302 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3hfx s TYR 303 N -2.93 3.17 0.25 1.38 6.04 -0.87 -4.97 117.35 119.42 3hfx s TYR 303 Ca 0.50 1.24 0.02 0.00 0.04 0.00 0.00 57.07 58.87 3hfx s TYR 303 Cb 0.40 -3.39 -0.04 0.00 -1.04 0.00 0.00 41.96 37.89 3hfx s TYR 303 CO 0.11 -1.18 0.16 -0.08 -1.54 0.00 0.00 175.55 173.02 3hfx s THR 304 N 2.58 0.13 -0.59 4.34 -1.32 -1.26 -4.72 115.64 114.80 3hfx s THR 304 Ca 0.53 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.93 3hfx s THR 304 Cb -0.22 -2.52 -0.18 0.00 -1.51 0.00 0.00 72.50 68.07 3hfx s THR 304 CO 0.18 0.00 1.34 -0.67 -2.21 0.00 0.00 174.62 173.26 3hfx n ASP 305 N -0.64 -0.62 -4.36 8.08 2.03 -1.26 -4.86 116.55 114.91 3hfx n ASP 305 Ca 0.03 -0.22 -0.29 0.00 0.52 0.00 0.00 54.79 54.83 3hfx n ASP 305 Cb 0.65 -0.37 0.24 0.00 -0.72 0.00 0.00 41.12 40.92 3hfx n ASP 305 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3hfx s PRO 306 N 4.39 -0.87 0.48 -0.67 0.04 -1.26 -4.79 135.00 132.33 3hfx s PRO 306 Ca 0.78 0.53 0.14 0.00 0.04 0.00 0.00 61.00 62.49 3hfx s PRO 306 Cb -0.56 -1.58 1.14 0.00 0.04 0.00 0.00 34.50 33.54 3hfx s PRO 306 CO 0.32 -3.61 2.09 -0.84 0.04 0.00 0.00 177.00 175.01 3hfx h ILE 307 N -2.53 1.05 -0.85 0.56 -0.00 -2.07 -1.81 117.51 111.86 3hfx h ILE 307 Ca -0.56 -0.19 0.09 0.00 -0.00 0.00 0.00 64.86 64.19 3hfx h ILE 307 Cb 1.33 1.02 -0.06 0.00 -0.00 0.00 0.00 36.82 39.11 3hfx h ILE 307 CO 0.49 0.06 0.55 0.00 -0.00 0.00 0.00 178.15 179.25 3hfx h ALA 308 N 1.91 1.65 -5.23 0.16 0.00 -1.98 -3.48 119.26 112.30 3hfx h ALA 308 Ca 0.02 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 3hfx h ALA 308 Cb 0.08 -0.21 0.16 0.00 0.00 0.00 0.00 17.79 17.82 3hfx h ALA 308 CO 0.00 0.19 -0.70 1.63 0.00 0.00 0.00 179.25 180.37 3hfx n LYS 309 N -4.51 -5.20 0.07 0.00 5.02 -0.68 -4.97 118.16 107.89 3hfx n LYS 309 Ca 0.14 0.76 -0.14 0.00 -2.02 0.00 0.00 58.31 57.05 3hfx n LYS 309 Cb 0.28 -5.47 -0.06 0.00 -0.02 0.00 0.00 35.03 29.76 3hfx n LYS 309 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3hfx h GLY 310 N -1.56 0.48 0.00 0.72 0.00 -1.93 -3.48 103.07 97.30 3hfx h GLY 310 Ca -0.53 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 45.94 3hfx h GLY 310 CO 0.44 0.76 0.00 0.61 0.00 0.00 0.00 176.54 178.35 3hfx n GLY 311 N 0.99 0.73 0.00 4.60 0.00 -1.26 -5.02 105.19 105.24 3hfx n GLY 311 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3hfx n GLY 311 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hfx n PHE 312 N -1.89 0.00 -0.31 1.61 7.35 -1.26 -0.66 117.46 122.29 3hfx n PHE 312 Ca 0.00 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.77 3hfx n PHE 312 Cb 0.00 -0.17 0.25 0.00 0.35 0.00 0.00 39.48 39.91 3hfx n PHE 312 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 3hfx h PRO 313 N 0.00 0.64 -0.97 -7.13 0.13 -1.89 4.19 132.00 126.97 3hfx h PRO 313 Ca 0.00 -0.04 0.32 0.00 -0.87 0.00 0.00 66.00 65.41 3hfx h PRO 313 Cb 0.00 -0.15 -0.17 0.00 0.13 0.00 0.00 31.00 30.81 3hfx h PRO 313 CO 0.00 0.43 0.30 1.96 -0.23 0.00 0.00 178.00 180.46 3hfx h GLN 314 N 0.66 0.08 0.15 0.86 7.50 -1.85 0.25 115.11 122.76 3hfx h GLN 314 Ca 0.49 -0.00 -0.33 0.00 0.50 0.00 0.00 58.65 59.30 3hfx h GLN 314 Cb 0.71 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.22 3hfx h GLN 314 CO -0.37 0.05 -1.68 0.78 -1.50 0.00 0.00 178.83 176.11 3hfx h GLY 315 N 0.08 0.37 0.00 3.46 0.00 1.04 -3.36 103.07 104.66 3hfx h GLY 315 Ca 0.69 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3hfx h GLY 315 CO -0.79 0.83 0.00 0.79 0.00 0.00 0.00 176.54 177.37 3hfx n TRP 316 N -3.52 0.00 -0.06 5.60 7.02 0.05 -4.23 117.44 122.30 3hfx n TRP 316 Ca -0.22 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.14 3hfx n TRP 316 Cb 1.06 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.88 3hfx n TRP 316 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3hfx h THR 317 N 0.00 0.06 -0.67 -0.99 2.02 -1.07 0.23 112.91 112.50 3hfx h THR 317 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 3hfx h THR 317 Cb 0.00 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.43 3hfx h THR 317 CO 0.00 0.00 0.40 0.58 0.37 0.00 0.00 175.52 176.87 3hfx h VAL 318 N -0.46 1.06 -0.00 3.16 2.07 -0.83 -0.14 116.25 121.11 3hfx h VAL 318 Ca 0.08 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3hfx h VAL 318 Cb 0.63 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3hfx h VAL 318 CO -0.50 0.14 0.00 0.15 0.02 0.00 0.00 177.57 177.38 3hfx h PHE 319 N 0.78 0.00 -0.82 1.57 3.57 -1.43 -1.81 116.94 118.81 3hfx h PHE 319 Ca 0.27 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.80 3hfx h PHE 319 Cb 0.06 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 3hfx h PHE 319 CO -0.05 0.23 0.54 1.88 -2.23 0.00 0.00 178.31 178.67 3hfx h TYR 320 N -0.22 0.99 -0.22 0.41 0.05 -0.29 -2.24 116.97 115.45 3hfx h TYR 320 Ca 0.00 0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.63 3hfx h TYR 320 Cb 0.23 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.64 3hfx h TYR 320 CO 0.00 0.58 -0.56 -1.49 -1.05 0.00 0.00 178.16 175.65 3hfx h TRP 321 N 1.03 0.98 -0.54 4.88 4.06 -0.92 0.94 115.95 126.39 3hfx h TRP 321 Ca 0.32 -0.38 0.11 0.00 2.06 0.00 0.00 58.89 61.00 3hfx h TRP 321 Cb 0.01 -0.17 -0.09 0.00 -1.00 0.00 0.00 29.16 27.90 3hfx h TRP 321 CO -0.00 1.19 -0.04 0.00 -3.56 0.00 0.00 178.44 176.03 3hfx h ALA 322 N 0.61 0.47 -0.39 1.49 0.00 -1.20 0.58 119.26 120.81 3hfx h ALA 322 Ca -0.01 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hfx h ALA 322 Cb 1.17 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 3hfx h ALA 322 CO 0.12 -0.41 0.24 2.35 0.00 0.00 0.00 179.25 181.55 3hfx h TRP 323 N 0.08 0.45 -0.52 0.00 2.91 -0.75 0.33 115.95 118.45 3hfx h TRP 323 Ca 0.27 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.27 3hfx h TRP 323 Cb 0.43 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.91 3hfx h TRP 323 CO -0.37 0.26 0.17 -1.49 -1.03 0.00 0.00 178.44 175.99 3hfx h TRP 324 N 0.48 0.76 -0.31 2.65 4.06 -0.03 -1.76 115.95 121.81 3hfx h TRP 324 Ca 0.15 -0.05 0.01 0.00 2.06 0.00 0.00 58.89 61.06 3hfx h TRP 324 Cb -0.01 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 27.90 3hfx h TRP 324 CO -0.07 0.62 0.19 0.28 -3.56 0.00 0.00 178.44 175.90 3hfx h VAL 325 N 0.74 1.05 0.01 1.49 2.07 0.12 -3.07 116.25 118.67 3hfx h VAL 325 Ca 0.17 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 3hfx h VAL 325 Cb 0.20 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3hfx h VAL 325 CO -0.01 0.07 -0.01 0.40 0.02 0.00 0.00 177.57 178.04 3hfx h ILE 326 N 0.39 1.01 -0.29 4.57 2.04 -0.08 -2.49 117.51 122.66 3hfx h ILE 326 Ca 0.12 -0.06 -0.12 0.00 1.00 0.00 0.00 64.86 65.80 3hfx h ILE 326 Cb -0.02 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 3hfx h ILE 326 CO -0.04 0.02 0.15 -1.22 0.00 0.00 0.00 178.15 177.05 3hfx n TYR 327 N -5.09 0.94 0.00 1.37 4.01 -1.05 -4.59 117.16 112.75 3hfx n TYR 327 Ca -0.07 -0.72 0.00 0.00 -0.16 0.00 0.00 57.90 56.95 3hfx n TYR 327 Cb 0.05 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 38.67 3hfx n TYR 327 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hfx n ALA 328 N 0.03 0.00 -0.30 -0.72 0.00 -0.94 -2.58 120.51 116.01 3hfx n ALA 328 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.71 3hfx n ALA 328 Cb 0.79 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.46 3hfx n ALA 328 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3hfx n ILE 329 N 0.00 -0.36 -0.12 0.00 -6.64 -1.26 0.23 119.36 111.21 3hfx n ILE 329 Ca 0.00 1.88 -0.08 0.00 -1.77 0.00 0.00 62.75 62.78 3hfx n ILE 329 Cb 0.00 -2.71 -0.02 0.00 -1.44 0.00 0.00 39.64 35.47 3hfx n ILE 329 CO 0.00 0.00 0.00 -0.61 -1.77 0.00 0.00 176.55 174.17 3hfx h GLN 330 N 0.00 -0.27 0.00 6.28 4.15 -1.83 0.43 115.11 123.87 3hfx h GLN 330 Ca 0.48 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.91 3hfx h GLN 330 Cb 0.94 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.69 3hfx h GLN 330 CO -0.82 -0.18 -0.06 0.52 -1.93 0.00 0.00 178.83 176.36 3hfx h MET 331 N -0.28 0.00 0.25 1.69 2.86 0.05 -2.97 114.93 116.53 3hfx h MET 331 Ca 0.16 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.47 3hfx h MET 331 Cb 0.55 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.25 3hfx h MET 331 CO -0.55 0.06 -1.48 0.77 1.06 0.00 0.00 176.91 176.78 3hfx h SER 332 N 0.00 0.83 -0.37 1.22 0.02 0.64 -1.32 113.55 114.58 3hfx h SER 332 Ca -0.00 -0.90 0.07 0.00 -0.84 0.00 0.00 61.79 60.12 3hfx h SER 332 Cb 0.43 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 3hfx h SER 332 CO 0.01 1.70 -0.00 0.16 -1.14 0.00 0.00 176.83 177.56 3hfx h ILE 333 N 0.15 0.72 0.41 3.27 3.07 -0.19 0.42 117.51 125.36 3hfx h ILE 333 Ca -0.25 -0.03 -0.01 0.00 1.55 0.00 0.00 64.86 66.11 3hfx h ILE 333 Cb 2.17 0.62 -0.03 0.00 -0.27 0.00 0.00 36.82 39.31 3hfx h ILE 333 CO 0.27 0.02 -0.50 0.15 -1.05 0.00 0.00 178.15 177.04 3hfx h PHE 334 N 0.10 -1.39 -0.68 0.16 3.57 -1.57 0.51 116.94 117.63 3hfx h PHE 334 Ca 0.18 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3hfx h PHE 334 Cb 0.25 0.55 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 3hfx h PHE 334 CO -0.26 -0.64 0.45 -0.07 -2.23 0.00 0.00 178.31 175.56 3hfx h LEU 335 N -0.93 0.67 0.42 0.59 3.38 -0.97 -2.32 115.31 116.15 3hfx h LEU 335 Ca -0.05 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3hfx h LEU 335 Cb 0.83 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3hfx h LEU 335 CO -0.11 0.45 -0.20 0.00 0.09 0.00 0.00 178.44 178.67 3hfx h ALA 336 N 1.61 -0.57 0.00 1.53 0.00 0.16 -3.16 119.26 118.84 3hfx h ALA 336 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hfx h ALA 336 Cb 0.13 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hfx h ALA 336 CO -0.08 -0.72 0.17 0.00 0.00 0.00 0.00 179.25 178.62 3hfx h ARG 337 N -0.77 0.00 -0.51 0.00 3.08 0.54 -0.59 114.38 116.13 3hfx h ARG 337 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3hfx h ARG 337 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3hfx h ARG 337 CO 0.10 0.00 0.00 0.44 -1.07 0.00 0.00 179.97 179.44 3hfx n ILE 338 N -2.71 0.89 -2.72 2.04 -6.64 -0.98 -4.68 119.36 104.57 3hfx n ILE 338 Ca -0.02 -0.95 -0.21 0.00 -1.77 0.00 0.00 62.75 59.80 3hfx n ILE 338 Cb 0.22 0.60 -0.01 0.00 -1.44 0.00 0.00 39.64 39.01 3hfx n ILE 338 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 3hfx n SER 339 N 1.15 3.37 0.32 7.28 7.64 -0.23 -4.81 113.62 128.34 3hfx n SER 339 Ca 0.18 -3.38 -0.17 0.00 1.01 0.00 0.00 58.87 56.51 3hfx n SER 339 Cb 0.53 -0.52 -0.09 0.00 -1.01 0.00 0.00 64.21 63.12 3hfx n SER 339 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3hfx h ARG 340 N 2.82 -0.95 0.00 1.43 2.43 -1.83 -3.27 114.38 115.00 3hfx h ARG 340 Ca 0.14 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3hfx h ARG 340 Cb 0.90 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3hfx h ARG 340 CO 0.71 -0.64 -0.06 0.78 -1.51 0.00 0.00 179.97 179.26 3hfx h GLY 341 N -0.99 0.00 -1.80 2.80 0.00 -1.82 -3.39 103.07 97.86 3hfx h GLY 341 Ca -0.07 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.72 3hfx h GLY 341 CO 0.01 0.00 0.41 0.50 0.00 0.00 0.00 176.54 177.45 3hfx s ARG 342 N -3.16 2.16 0.82 4.80 3.00 -1.24 -4.45 118.95 120.88 3hfx s ARG 342 Ca 0.09 1.80 -0.11 0.00 0.00 0.00 0.00 55.73 57.50 3hfx s ARG 342 Cb 0.09 -1.83 0.08 0.00 0.00 0.00 0.00 34.95 33.29 3hfx s ARG 342 CO 0.64 -1.83 1.10 0.99 0.00 0.00 0.00 175.30 176.20 3hfx s THR 343 N -1.91 2.96 0.07 0.02 2.01 -1.26 -0.63 115.64 116.89 3hfx s THR 343 Ca 0.75 0.31 -0.22 0.00 0.31 0.00 0.00 61.69 62.84 3hfx s THR 343 Cb -0.30 -3.02 -0.13 0.00 0.01 0.00 0.00 72.50 69.06 3hfx s THR 343 CO 0.45 -0.41 1.60 0.58 -0.69 0.00 0.00 174.62 176.15 3hfx h VAL 344 N -1.17 1.15 -0.80 3.82 2.07 -1.79 -2.39 116.25 117.13 3hfx h VAL 344 Ca -0.47 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 66.66 3hfx h VAL 344 Cb 1.27 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 32.27 3hfx h VAL 344 CO 0.59 0.13 0.50 -0.09 0.02 0.00 0.00 177.57 178.71 3hfx h ARG 345 N -0.02 0.90 0.09 1.57 2.43 -1.85 -1.84 114.38 115.65 3hfx h ARG 345 Ca 0.03 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3hfx h ARG 345 Cb 0.17 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 3hfx h ARG 345 CO -0.00 0.59 -0.38 0.93 -1.51 0.00 0.00 179.97 179.60 3hfx h GLU 346 N 0.92 -0.58 -0.15 0.20 5.08 -1.88 -0.54 114.58 117.63 3hfx h GLU 346 Ca 0.34 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.79 3hfx h GLU 346 Cb 0.13 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 3hfx h GLU 346 CO -0.16 -0.38 -0.19 1.25 -1.00 0.00 0.00 179.01 178.53 3hfx h LEU 347 N -0.60 -0.61 -0.89 1.33 5.85 -1.27 0.56 115.31 119.69 3hfx h LEU 347 Ca 0.03 0.11 0.19 0.00 0.84 0.00 0.00 57.88 59.05 3hfx h LEU 347 Cb 0.64 0.28 -0.11 0.00 0.37 0.00 0.00 40.66 41.84 3hfx h LEU 347 CO -0.24 -0.24 0.44 0.00 -0.34 0.00 0.00 178.44 178.06 3hfx h PHE 349 N 0.53 -0.06 -0.89 0.00 -1.00 -0.34 -3.31 116.94 111.87 3hfx h PHE 349 Ca 0.53 -0.00 0.16 0.00 2.81 0.00 0.00 57.97 61.47 3hfx h PHE 349 Cb 0.91 0.02 -0.16 0.00 3.61 0.00 0.00 35.95 40.33 3hfx h PHE 349 CO -0.10 -0.04 -0.28 0.41 -1.61 0.00 0.00 178.31 176.69 3hfx n GLY 350 N 1.62 -1.66 0.11 -1.45 0.00 0.19 -1.06 105.19 102.94 3hfx n GLY 350 Ca -0.01 0.97 -0.12 0.00 0.00 0.00 0.00 46.02 46.87 3hfx n GLY 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfx h MET 351 N 0.00 0.25 0.23 1.61 -0.00 -1.11 0.16 114.93 116.07 3hfx h MET 351 Ca 0.37 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.70 59.99 3hfx h MET 351 Cb 0.59 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.17 3hfx h MET 351 CO -0.90 0.46 -0.11 0.28 -0.00 0.00 0.00 176.91 176.64 3hfx h VAL 352 N 0.02 0.78 0.00 -0.10 2.07 -1.31 0.42 116.25 118.12 3hfx h VAL 352 Ca 0.04 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3hfx h VAL 352 Cb 0.33 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3hfx h VAL 352 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.78 3hfx n LEU 353 N -5.22 0.00 -0.33 2.57 4.77 -0.23 -0.25 117.00 118.32 3hfx n LEU 353 Ca -0.09 0.99 -0.07 0.00 -0.03 0.00 0.00 56.01 56.81 3hfx n LEU 353 Cb 0.14 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 3hfx n LEU 353 CO 0.35 -0.49 0.55 1.23 -1.33 0.00 0.00 177.39 177.69 3hfx h GLY 354 N 0.00 -0.41 0.77 -0.72 0.00 -0.67 -0.66 103.07 101.38 3hfx h GLY 354 Ca 0.00 0.63 -0.07 0.00 0.00 0.00 0.00 47.33 47.89 3hfx h GLY 354 CO 0.00 -0.11 -0.16 1.41 0.00 0.00 0.00 176.54 177.68 3hfx h LEU 355 N -0.08 0.42 -1.98 3.11 3.38 -0.14 -3.04 115.31 116.98 3hfx h LEU 355 Ca 0.23 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3hfx h LEU 355 Cb 0.53 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hfx h LEU 355 CO -0.87 0.81 0.06 0.00 0.09 0.00 0.00 178.44 178.54 3hfx h THR 356 N 0.04 0.97 -0.39 0.22 1.03 -0.33 -1.49 112.91 112.97 3hfx h THR 356 Ca 0.03 -0.01 -0.12 0.00 -0.01 0.00 0.00 66.41 66.30 3hfx h THR 356 Cb 0.69 0.94 -0.01 0.00 -1.07 0.00 0.00 68.15 68.70 3hfx h THR 356 CO 0.04 0.01 -0.22 0.00 -0.01 0.00 0.00 175.52 175.33 3hfx h ALA 357 N 1.96 0.55 0.08 0.00 0.00 -1.02 0.07 119.26 120.90 3hfx h ALA 357 Ca 0.04 -0.38 -0.27 0.00 0.00 0.00 0.00 54.91 54.30 3hfx h ALA 357 Cb 0.12 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hfx h ALA 357 CO -0.00 0.53 -1.14 0.66 0.00 0.00 0.00 179.25 179.29 3hfx h SER 358 N 0.65 0.69 -0.14 0.00 4.64 -1.30 -2.83 113.55 115.26 3hfx h SER 358 Ca 0.08 -0.62 -0.16 0.00 -0.47 0.00 0.00 61.79 60.62 3hfx h SER 358 Cb 0.79 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3hfx h SER 358 CO 0.06 1.44 -0.54 0.00 -0.87 0.00 0.00 176.83 176.92 3hfx h THR 359 N 0.23 1.33 0.62 2.95 1.03 -1.28 -2.84 112.91 114.96 3hfx h THR 359 Ca -0.14 -1.81 -0.03 0.00 -0.01 0.00 0.00 66.41 64.42 3hfx h THR 359 Cb 1.81 2.06 0.01 0.00 -1.07 0.00 0.00 68.15 70.95 3hfx h THR 359 CO 0.21 0.56 -0.30 -0.50 -0.01 0.00 0.00 175.52 175.48 3hfx h TRP 360 N 0.27 -0.77 -0.88 0.00 4.06 -1.03 -2.59 115.95 115.01 3hfx h TRP 360 Ca -0.03 -0.02 0.16 0.00 2.06 0.00 0.00 58.89 61.07 3hfx h TRP 360 Cb 1.17 0.26 -0.16 0.00 -1.00 0.00 0.00 29.16 29.43 3hfx h TRP 360 CO 0.10 -0.48 -0.26 -0.89 -3.56 0.00 0.00 178.44 173.35 3hfx n ILE 361 N -4.44 -0.40 0.01 1.49 5.41 -1.07 -1.20 119.36 119.16 3hfx n ILE 361 Ca -0.10 2.03 -0.01 0.00 1.00 0.00 0.00 62.75 65.67 3hfx n ILE 361 Cb 0.33 -2.76 -0.01 0.00 -0.71 0.00 0.00 39.64 36.49 3hfx n ILE 361 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3hfx h LEU 362 N 0.00 -0.09 -1.66 1.39 6.46 -1.28 -1.13 115.31 118.99 3hfx h LEU 362 Ca 0.38 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.13 3hfx h LEU 362 Cb 0.60 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 3hfx h LEU 362 CO -0.89 -0.03 -0.02 -0.50 -0.62 0.00 0.00 178.44 176.38 3hfx h TRP 363 N -0.05 0.19 -0.32 1.25 6.55 -0.96 -1.53 115.95 121.08 3hfx h TRP 363 Ca -0.00 -0.01 -0.18 0.00 0.95 0.00 0.00 58.89 59.65 3hfx h TRP 363 Cb 0.05 -0.06 -0.00 0.00 -0.86 0.00 0.00 29.16 28.29 3hfx h TRP 363 CO -0.27 0.22 -0.50 1.79 -1.05 0.00 0.00 178.44 178.63 3hfx h THR 364 N 0.19 1.27 0.31 1.49 1.35 -1.03 -1.11 112.91 115.38 3hfx h THR 364 Ca 0.05 -1.68 -0.02 0.00 -0.55 0.00 0.00 66.41 64.21 3hfx h THR 364 Cb 0.16 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3hfx h THR 364 CO 0.00 0.55 -0.15 0.58 -0.25 0.00 0.00 175.52 176.26 3hfx h VAL 365 N 0.70 0.00 -0.52 6.82 2.07 -0.40 -0.08 116.25 124.83 3hfx h VAL 365 Ca 0.03 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.32 3hfx h VAL 365 Cb 1.10 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3hfx h VAL 365 CO 0.11 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.98 3hfx h LEU 366 N -0.69 0.47 0.00 2.57 3.38 -1.46 -2.24 115.31 117.34 3hfx h LEU 366 Ca -0.04 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 3hfx h LEU 366 Cb 0.32 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3hfx h LEU 366 CO 0.07 0.32 -1.09 1.23 0.09 0.00 0.00 178.44 179.06 3hfx h GLY 367 N 0.54 0.00 0.59 0.83 0.00 -1.23 -2.34 103.07 101.47 3hfx h GLY 367 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 3hfx h GLY 367 CO -0.06 0.00 -0.17 1.76 0.00 0.00 0.00 176.54 178.08 3hfx h SER 368 N 0.00 -0.39 -0.96 0.19 0.02 -0.80 -2.23 113.55 109.38 3hfx h SER 368 Ca -0.10 -0.16 0.30 0.00 -0.84 0.00 0.00 61.79 60.99 3hfx h SER 368 Cb 1.56 0.10 -0.16 0.00 0.14 0.00 0.00 62.40 64.04 3hfx h SER 368 CO 0.06 0.02 0.36 -1.13 -1.14 0.00 0.00 176.83 174.99 3hfx h ASN 369 N -0.88 0.13 0.20 3.07 -1.24 -1.47 0.37 115.58 115.76 3hfx h ASN 369 Ca -0.05 0.22 -0.01 0.00 0.71 0.00 0.00 56.30 57.18 3hfx h ASN 369 Cb 0.53 0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.85 3hfx h ASN 369 CO 0.08 -0.24 -0.09 0.74 -1.29 0.00 0.00 177.43 176.62 3hfx h THR 370 N 0.16 0.88 -0.54 -3.57 2.02 -1.40 -2.67 112.91 107.80 3hfx h THR 370 Ca 0.67 -0.42 0.08 0.00 0.77 0.00 0.00 66.41 67.51 3hfx h THR 370 Cb 1.53 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 69.01 3hfx h THR 370 CO -0.71 0.10 0.19 0.25 0.37 0.00 0.00 175.52 175.71 3hfx h LEU 371 N -0.47 0.18 0.03 2.58 5.85 0.22 -0.71 115.31 122.98 3hfx h LEU 371 Ca -0.03 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3hfx h LEU 371 Cb 0.36 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3hfx h LEU 371 CO 0.04 0.12 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.73 3hfx h LEU 372 N 0.36 -1.44 -0.39 2.25 4.07 -0.75 0.27 115.31 119.68 3hfx h LEU 372 Ca 0.26 0.17 0.07 0.00 0.08 0.00 0.00 57.88 58.46 3hfx h LEU 372 Cb 0.30 0.55 -0.09 0.00 1.08 0.00 0.00 40.66 42.50 3hfx h LEU 372 CO -0.27 -0.50 -0.42 -0.07 -1.08 0.00 0.00 178.44 176.10 3hfx h LEU 373 N -0.64 -1.40 -0.82 1.67 4.07 -1.05 -1.44 115.31 115.71 3hfx h LEU 373 Ca 0.03 0.21 0.06 0.00 0.08 0.00 0.00 57.88 58.26 3hfx h LEU 373 Cb 0.70 0.61 -0.06 0.00 1.08 0.00 0.00 40.66 42.99 3hfx h LEU 373 CO -0.32 -0.37 0.50 -0.29 -1.08 0.00 0.00 178.44 176.88 3hfx h ILE 374 N -0.33 1.03 0.00 1.22 2.10 -0.76 -3.26 117.51 117.51 3hfx h ILE 374 Ca 0.14 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.76 3hfx h ILE 374 Cb 0.58 0.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.35 3hfx h ILE 374 CO -0.56 0.17 0.00 -0.67 -1.08 0.00 0.00 178.15 176.00 3hfx n ASP 375 N -4.65 0.00 -4.70 2.19 2.03 0.92 -4.50 116.55 107.84 3hfx n ASP 375 Ca 0.12 0.25 -0.44 0.00 0.52 0.00 0.00 54.79 55.24 3hfx n ASP 375 Cb 0.17 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.54 3hfx n ASP 375 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3hfx n LYS 376 N -0.39 2.57 -1.55 -0.67 2.85 -0.76 -4.77 118.16 115.44 3hfx n LYS 376 Ca 0.00 0.93 -0.27 0.00 -1.05 0.00 0.00 58.31 57.92 3hfx n LYS 376 Cb 0.00 -2.76 -0.09 0.00 -0.65 0.00 0.00 35.03 31.53 3hfx n LYS 376 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 3hfx n ASN 377 N 4.24 2.03 -0.01 -5.58 0.23 -1.26 -4.42 115.26 110.48 3hfx n ASN 377 Ca 0.17 -2.59 -0.01 0.00 -0.53 0.00 0.00 54.58 51.63 3hfx n ASN 377 Cb 0.33 -1.50 -0.03 0.00 -2.08 0.00 0.00 39.78 36.50 3hfx n ASN 377 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hfx n ILE 378 N 8.02 0.19 -2.90 1.53 3.06 -1.23 -4.79 119.36 123.24 3hfx n ILE 378 Ca 0.44 -0.15 -0.13 0.00 -2.50 0.00 0.00 62.75 60.41 3hfx n ILE 378 Cb 0.45 -0.52 0.01 0.00 0.54 0.00 0.00 39.64 40.12 3hfx n ILE 378 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3hfx n ILE 379 N -2.00 -0.25 -0.19 9.51 5.41 -1.25 -4.98 119.36 125.61 3hfx n ILE 379 Ca -0.05 -2.31 -0.01 0.00 1.00 0.00 0.00 62.75 61.38 3hfx n ILE 379 Cb 0.48 0.31 -0.01 0.00 -0.71 0.00 0.00 39.64 39.71 3hfx n ILE 379 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3hfx n ASN 380 N 1.67 1.61 -0.11 4.38 4.13 -1.26 -3.85 115.26 121.82 3hfx n ASN 380 Ca 0.14 -1.52 -0.24 0.00 1.68 0.00 0.00 54.58 54.64 3hfx n ASN 380 Cb 0.59 -0.36 -0.11 0.00 -1.54 0.00 0.00 39.78 38.36 3hfx n ASN 380 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3hfx n ILE 381 N 2.09 1.56 -0.29 2.41 5.41 -1.26 -4.29 119.36 124.98 3hfx n ILE 381 Ca 0.03 -0.37 -0.08 0.00 1.00 0.00 0.00 62.75 63.34 3hfx n ILE 381 Cb 0.18 -1.81 -0.04 0.00 -0.71 0.00 0.00 39.64 37.26 3hfx n ILE 381 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3hfx h PRO 382 N -0.67 -0.13 -0.76 0.38 0.11 -1.95 2.93 132.00 131.91 3hfx h PRO 382 Ca -0.56 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.67 3hfx h PRO 382 Cb 1.65 0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.66 3hfx h PRO 382 CO -0.24 -0.09 -0.43 -2.95 -0.21 0.00 0.00 178.00 174.08 3hfx h ASN 383 N -0.14 -1.54 -0.15 -2.05 -1.07 -1.92 -2.17 115.58 106.54 3hfx h ASN 383 Ca 0.21 0.27 -0.11 0.00 0.07 0.00 0.00 56.30 56.74 3hfx h ASN 383 Cb 0.54 0.73 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 3hfx h ASN 383 CO -0.81 -0.30 -0.35 0.25 0.07 0.00 0.00 177.43 176.29 3hfx h LEU 384 N -0.12 0.56 -1.13 6.14 6.46 0.14 -3.27 115.31 124.08 3hfx h LEU 384 Ca 0.23 -0.57 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 3hfx h LEU 384 Cb 0.55 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 3hfx h LEU 384 CO -0.81 1.03 0.00 -0.29 -0.62 0.00 0.00 178.44 177.75 3hfx h ILE 385 N 0.11 0.00 0.00 4.05 2.10 0.48 -0.85 117.51 123.40 3hfx h ILE 385 Ca -0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 3hfx h ILE 385 Cb 0.95 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.45 3hfx h ILE 385 CO 0.08 0.00 0.00 -0.62 -1.08 0.00 0.00 178.15 176.53 3hfx n GLU 386 N -2.31 0.12 0.00 2.19 -0.58 -0.84 -0.68 120.64 118.54 3hfx n GLU 386 Ca 0.00 0.21 0.14 0.00 -0.42 0.00 0.00 57.16 57.10 3hfx n GLU 386 Cb 0.14 -1.50 0.64 0.00 -0.57 0.00 0.00 31.44 30.15 3hfx n GLU 386 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3hfx n GLN 387 N -1.29 1.20 -3.24 3.49 1.13 -0.33 -4.20 117.38 114.14 3hfx n GLN 387 Ca 0.04 -0.51 -0.03 0.00 -1.94 0.00 0.00 57.00 54.55 3hfx n GLN 387 Cb 0.07 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.90 3hfx n GLN 387 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 3hfx s TYR 388 N -2.15 -1.37 0.00 1.08 1.13 0.14 -5.15 117.35 111.03 3hfx s TYR 388 Ca 0.37 0.24 0.00 0.00 -1.41 0.00 0.00 57.07 56.27 3hfx s TYR 388 Cb 0.21 0.10 0.00 0.00 -1.10 0.00 0.00 41.96 41.17 3hfx s TYR 388 CO 0.39 -1.09 0.00 0.41 -2.51 0.00 0.00 175.55 172.75 3hfx n GLY 389 N 4.75 -0.78 0.20 5.49 0.00 -1.21 -4.64 105.19 109.00 3hfx n GLY 389 Ca 0.08 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 3hfx n GLY 389 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hfx h VAL 390 N 0.00 0.16 -0.91 1.61 2.07 -1.88 -3.29 116.25 114.01 3hfx h VAL 390 Ca 0.00 -0.76 0.36 0.00 0.82 0.00 0.00 66.70 67.13 3hfx h VAL 390 Cb 0.00 0.26 -0.14 0.00 -1.52 0.00 0.00 31.29 29.89 3hfx h VAL 390 CO 0.00 0.04 0.52 0.00 0.02 0.00 0.00 177.57 178.15 3hfx n ALA 391 N -2.72 0.93 -0.23 1.67 0.00 -1.26 -0.58 120.51 118.32 3hfx n ALA 391 Ca -0.06 0.83 0.00 0.00 0.00 0.00 0.00 53.44 54.21 3hfx n ALA 391 Cb 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3hfx n ALA 391 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3hfx n ARG 392 N -4.78 0.00 -0.30 0.00 0.00 -1.24 -2.92 116.66 107.42 3hfx n ARG 392 Ca 0.32 0.53 0.23 0.00 -0.00 0.00 0.00 57.85 58.94 3hfx n ARG 392 Cb 1.14 -1.38 0.44 0.00 0.00 0.00 0.00 32.46 32.65 3hfx n ARG 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hfx n ALA 393 N -1.91 0.76 -0.27 5.13 0.00 0.25 -0.41 120.51 124.07 3hfx n ALA 393 Ca 0.00 0.94 -0.06 0.00 0.00 0.00 0.00 53.44 54.33 3hfx n ALA 393 Cb 0.00 -0.85 0.06 0.00 0.00 0.00 0.00 19.45 18.66 3hfx n ALA 393 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hfx h ILE 394 N 0.00 1.22 -0.00 0.00 2.04 -1.32 0.99 117.51 120.43 3hfx h ILE 394 Ca 0.69 -0.57 -0.16 0.00 1.00 0.00 0.00 64.86 65.82 3hfx h ILE 394 Cb 1.71 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3hfx h ILE 394 CO -0.76 0.25 -0.75 0.16 0.00 0.00 0.00 178.15 177.05 3hfx h ILE 395 N 1.01 1.52 -0.94 -0.67 -2.65 -0.62 -2.64 117.51 112.51 3hfx h ILE 395 Ca 0.26 -2.52 0.06 0.00 1.03 0.00 0.00 64.86 63.69 3hfx h ILE 395 Cb 0.04 2.36 -0.06 0.00 -2.05 0.00 0.00 36.82 37.11 3hfx h ILE 395 CO -0.04 0.72 0.60 -0.33 0.03 0.00 0.00 178.15 179.14 3hfx h GLU 396 N 0.03 1.09 -0.91 0.16 4.39 -0.66 1.71 114.58 120.38 3hfx h GLU 396 Ca -0.01 -0.07 0.13 0.00 0.34 0.00 0.00 59.36 59.75 3hfx h GLU 396 Cb 1.33 -0.25 -0.09 0.00 -0.10 0.00 0.00 28.75 29.65 3hfx h GLU 396 CO 0.10 0.72 0.53 1.15 -1.16 0.00 0.00 179.01 180.36 3hfx h THR 397 N 1.12 0.83 0.06 1.13 2.02 -0.59 0.27 112.91 117.76 3hfx h THR 397 Ca 0.40 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 3hfx h THR 397 Cb 0.12 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 3hfx h THR 397 CO -0.16 0.15 -0.03 -0.50 0.37 0.00 0.00 175.52 175.35 3hfx h TRP 398 N 0.80 -0.08 -0.57 3.16 -0.00 -0.28 -3.36 115.95 115.63 3hfx h TRP 398 Ca 0.47 -0.00 0.10 0.00 -0.00 0.00 0.00 58.89 59.46 3hfx h TRP 398 Cb 0.56 0.03 -0.11 0.00 -0.00 0.00 0.00 29.16 29.64 3hfx h TRP 398 CO -0.04 0.42 -0.34 0.00 -0.00 0.00 0.00 178.44 178.48 3hfx h ALA 399 N 0.24 -0.07 0.00 1.49 0.00 0.32 -2.11 119.26 119.13 3hfx h ALA 399 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hfx h ALA 399 Cb 0.53 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3hfx h ALA 399 CO 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 179.25 178.58 3hfx n ALA 400 N -3.13 0.96 -2.92 0.00 0.00 0.88 -4.63 120.51 111.68 3hfx n ALA 400 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 3hfx n ALA 400 Cb 0.35 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 3hfx n ALA 400 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hfx s LEU 401 N -0.84 4.22 0.42 0.00 1.43 -0.80 -5.06 118.68 118.06 3hfx s LEU 401 Ca 0.00 0.08 -0.24 0.00 -1.03 0.00 0.00 54.13 52.94 3hfx s LEU 401 Cb 0.00 -2.79 -0.11 0.00 0.03 0.00 0.00 46.19 43.32 3hfx s LEU 401 CO 0.00 0.02 1.00 -2.65 0.23 0.00 0.00 176.35 174.96 3hfx n PRO 402 N -0.73 1.33 -3.93 1.29 -0.02 -1.26 -2.29 135.00 129.39 3hfx n PRO 402 Ca -0.08 0.48 -0.29 0.00 -2.02 0.00 0.00 63.50 61.59 3hfx n PRO 402 Cb 0.55 -2.03 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 3hfx n PRO 402 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hfx n LEU 403 N 0.53 -2.10 -0.40 2.45 4.77 -1.26 -4.76 117.00 116.22 3hfx n LEU 403 Ca 0.09 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 3hfx n LEU 403 Cb 0.39 -2.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.32 3hfx n LEU 403 CO 0.57 0.48 0.00 -0.24 -1.33 0.00 0.00 177.39 176.87 3hfx n SER 404 N -2.83 0.00 0.02 -1.43 2.88 -0.97 -1.90 113.62 109.39 3hfx n SER 404 Ca -0.24 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.27 3hfx n SER 404 Cb 0.65 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.11 3hfx n SER 404 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3hfx n THR 405 N 0.24 1.00 -0.29 2.46 -1.04 -1.26 -4.35 114.28 111.04 3hfx n THR 405 Ca 0.00 0.26 0.07 0.00 -2.04 0.00 0.00 64.05 62.34 3hfx n THR 405 Cb 0.00 -1.66 0.30 0.00 -1.82 0.00 0.00 70.33 67.15 3hfx n THR 405 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hfx h ALA 406 N -0.14 1.63 -0.54 2.41 0.00 -1.74 -0.55 119.26 120.33 3hfx h ALA 406 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hfx h ALA 406 Cb 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hfx h ALA 406 CO -0.02 0.18 0.00 0.25 0.00 0.00 0.00 179.25 179.67 3hfx n THR 407 N -4.53 0.00 -0.09 0.00 -2.24 -1.09 -1.12 114.28 105.21 3hfx n THR 407 Ca 0.15 1.20 0.25 0.00 -2.27 0.00 0.00 64.05 63.38 3hfx n THR 407 Cb 0.31 -2.16 0.58 0.00 -2.10 0.00 0.00 70.33 66.96 3hfx n THR 407 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3hfx h MET 408 N 0.00 0.00 0.11 -0.78 2.86 -1.69 1.44 114.93 116.87 3hfx h MET 408 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3hfx h MET 408 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3hfx h MET 408 CO 0.00 0.00 -0.06 -1.49 1.06 0.00 0.00 176.91 176.42 3hfx h TRP 409 N 0.00 -0.14 -1.02 -0.22 4.06 -1.16 -1.88 115.95 115.59 3hfx h TRP 409 Ca 0.37 -0.00 0.26 0.00 2.06 0.00 0.00 58.89 61.58 3hfx h TRP 409 Cb 2.15 0.05 -0.12 0.00 -1.00 0.00 0.00 29.16 30.24 3hfx h TRP 409 CO 0.00 0.29 0.62 0.78 -3.56 0.00 0.00 178.44 176.57 3hfx h GLY 410 N -0.94 1.73 1.57 1.49 0.00 0.31 0.15 103.07 107.39 3hfx h GLY 410 Ca -0.02 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 46.86 3hfx h GLY 410 CO 0.03 -0.24 -0.70 0.74 0.00 0.00 0.00 176.54 176.37 3hfx h PHE 411 N 0.50 0.57 -0.12 5.60 -1.00 0.59 -1.43 116.94 121.65 3hfx h PHE 411 Ca 0.64 -0.24 -0.06 0.00 2.81 0.00 0.00 57.97 61.12 3hfx h PHE 411 Cb 1.37 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 40.84 3hfx h PHE 411 CO -0.01 0.99 -0.16 0.35 -1.61 0.00 0.00 178.31 177.87 3hfx h PHE 412 N 0.30 0.40 0.40 -0.55 3.57 -0.28 -2.04 116.94 118.74 3hfx h PHE 412 Ca -0.02 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 3hfx h PHE 412 Cb 1.27 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3hfx h PHE 412 CO 0.04 0.76 -0.19 0.82 -2.23 0.00 0.00 178.31 177.51 3hfx h ILE 413 N -0.07 0.50 -0.72 1.41 1.08 -0.83 -0.28 117.51 118.59 3hfx h ILE 413 Ca 0.01 -0.54 0.09 0.00 -0.39 0.00 0.00 64.86 64.03 3hfx h ILE 413 Cb 0.71 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 35.14 3hfx h ILE 413 CO 0.04 0.08 0.47 0.25 -0.69 0.00 0.00 178.15 178.31 3hfx h LEU 414 N -0.89 0.56 -0.53 1.44 7.12 -1.40 0.69 115.31 122.30 3hfx h LEU 414 Ca -0.05 0.01 -0.07 0.00 0.13 0.00 0.00 57.88 57.90 3hfx h LEU 414 Cb 0.55 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 3hfx h LEU 414 CO 0.09 0.34 -0.34 0.00 -0.13 0.00 0.00 178.44 178.40 3hfx h PHE 416 N 0.00 0.00 0.00 0.00 3.57 0.74 -3.32 116.94 117.93 3hfx h PHE 416 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hfx h PHE 416 Cb 1.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3hfx h PHE 416 CO 0.00 0.00 0.00 0.44 -2.23 0.00 0.00 178.31 176.52 3hfx n ILE 417 N -2.78 0.04 -0.07 1.41 -5.35 0.06 -0.83 119.36 111.84 3hfx n ILE 417 Ca -0.01 0.01 -0.11 0.00 -0.27 0.00 0.00 62.75 62.36 3hfx n ILE 417 Cb 0.04 -0.88 -0.11 0.00 -1.74 0.00 0.00 39.64 36.95 3hfx n ILE 417 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hfx h ALA 418 N 2.50 -0.00 0.00 -1.28 0.00 -1.67 -3.25 119.26 115.56 3hfx h ALA 418 Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 3hfx h ALA 418 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hfx h ALA 418 CO 0.00 -0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.00 3hfx h THR 419 N -1.00 0.54 -0.24 0.00 1.03 -1.08 -2.21 112.91 109.95 3hfx h THR 419 Ca -0.00 -1.30 -0.09 0.00 -0.01 0.00 0.00 66.41 65.01 3hfx h THR 419 Cb 0.82 1.91 -0.01 0.00 -1.07 0.00 0.00 68.15 69.79 3hfx h THR 419 CO 0.00 0.24 -0.23 1.62 -0.01 0.00 0.00 175.52 177.14 3hfx h VAL 420 N 0.00 1.26 0.01 0.00 3.04 -1.35 -0.67 116.25 118.53 3hfx h VAL 420 Ca -0.00 -1.21 -0.20 0.00 -1.01 0.00 0.00 66.70 64.28 3hfx h VAL 420 Cb 0.89 1.33 -0.02 0.00 -2.01 0.00 0.00 31.29 31.48 3hfx h VAL 420 CO 0.03 0.38 -0.90 0.74 -1.01 0.00 0.00 177.57 176.82 3hfx h THR 421 N 0.40 1.55 0.35 3.17 2.02 -1.53 -3.26 112.91 115.61 3hfx h THR 421 Ca 0.06 -2.79 -0.02 0.00 0.77 0.00 0.00 66.41 64.43 3hfx h THR 421 Cb 0.63 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 3hfx h THR 421 CO 0.04 0.81 -0.17 0.25 0.37 0.00 0.00 175.52 176.83 3hfx h LEU 422 N 0.06 -0.39 -0.98 2.58 5.85 -1.01 -2.34 115.31 119.08 3hfx h LEU 422 Ca -0.04 -0.06 0.24 0.00 0.84 0.00 0.00 57.88 58.87 3hfx h LEU 422 Cb 1.55 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 42.55 3hfx h LEU 422 CO 0.13 -0.18 0.55 0.58 -0.34 0.00 0.00 178.44 179.17 3hfx h VAL 423 N -0.59 0.51 0.03 1.05 2.07 -1.21 -2.66 116.25 115.44 3hfx h VAL 423 Ca -0.05 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3hfx h VAL 423 Cb 0.43 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3hfx h VAL 423 CO 0.08 0.10 -0.01 -1.13 0.02 0.00 0.00 177.57 176.62 3hfx h ASN 424 N 0.52 -0.03 0.01 0.57 -1.24 -1.58 -3.06 115.58 110.77 3hfx h ASN 424 Ca 0.63 -0.64 -0.00 0.00 0.71 0.00 0.00 56.30 57.00 3hfx h ASN 424 Cb 1.22 0.01 -0.00 0.00 0.73 0.00 0.00 38.32 40.27 3hfx h ASN 424 CO -0.50 0.75 -0.01 0.00 -1.29 0.00 0.00 177.43 176.38 3hfx h ALA 425 N -0.24 1.97 -0.47 1.57 0.00 -1.30 -0.71 119.26 120.08 3hfx h ALA 425 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hfx h ALA 425 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3hfx h ALA 425 CO 0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3hfx n SER 427 N 0.70 0.56 0.36 0.00 2.88 -0.82 -3.61 113.62 113.69 3hfx n SER 427 Ca 0.19 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.57 3hfx n SER 427 Cb 0.64 1.20 -0.08 0.00 -0.75 0.00 0.00 64.21 65.22 3hfx n SER 427 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3hfx h TYR 428 N 0.00 -0.87 -0.82 0.66 3.20 -1.21 -1.14 116.97 116.80 3hfx h TYR 428 Ca -0.35 -0.02 0.21 0.00 3.14 0.00 0.00 58.73 61.71 3hfx h TYR 428 Cb 1.78 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 40.29 3hfx h TYR 428 CO 0.00 -0.51 0.57 1.15 -1.64 0.00 0.00 178.16 177.73 3hfx h THR 429 N -1.16 0.65 0.00 1.81 2.02 -1.63 0.23 112.91 114.82 3hfx h THR 429 Ca -0.10 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 3hfx h THR 429 Cb 0.74 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3hfx h THR 429 CO 0.16 0.03 -0.19 0.25 0.37 0.00 0.00 175.52 176.14 3hfx h LEU 430 N 0.18 0.00 0.04 2.58 6.46 -1.60 -3.19 115.31 119.78 3hfx h LEU 430 Ca 0.41 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.94 3hfx h LEU 430 Cb 1.32 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.23 3hfx h LEU 430 CO -0.08 0.19 -1.22 0.00 -0.62 0.00 0.00 178.44 176.71 3hfx h ALA 431 N 1.81 0.23 -0.80 1.25 0.00 0.67 -3.35 119.26 119.08 3hfx h ALA 431 Ca -0.00 -1.12 0.23 0.00 0.00 0.00 0.00 54.91 54.02 3hfx h ALA 431 Cb 1.14 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 3hfx h ALA 431 CO 0.02 0.71 0.59 0.52 0.00 0.00 0.00 179.25 181.10 3hfx h MET 432 N -0.74 0.00 0.00 0.00 2.86 -1.15 -0.22 114.93 115.68 3hfx h MET 432 Ca -0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3hfx h MET 432 Cb 1.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.10 3hfx h MET 432 CO -0.10 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.74 3hfx n SER 433 N -4.22 0.20 -3.12 1.22 3.41 -1.21 -3.71 113.62 106.18 3hfx n SER 433 Ca 0.16 0.53 -0.22 0.00 -0.26 0.00 0.00 58.87 59.08 3hfx n SER 433 Cb 0.89 -0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 3hfx n SER 433 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hfx n THR 434 N -1.69 0.96 -3.67 6.66 -1.04 -0.09 -4.57 114.28 110.83 3hfx n THR 434 Ca 0.05 -4.89 -0.10 0.00 -2.04 0.00 0.00 64.05 57.08 3hfx n THR 434 Cb 0.29 -0.89 -0.03 0.00 -1.82 0.00 0.00 70.33 67.87 3hfx n THR 434 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hfx n ARG 436 N -0.34 1.48 -0.07 0.00 3.00 -1.26 -4.95 116.66 114.51 3hfx n ARG 436 Ca -0.12 0.52 -0.14 0.00 -0.01 0.00 0.00 57.85 58.11 3hfx n ARG 436 Cb 0.63 -1.96 -0.06 0.00 0.00 0.00 0.00 32.46 31.08 3hfx n ARG 436 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3hfx h GLU 437 N 2.45 0.59 0.00 5.56 5.08 -1.99 -3.42 114.58 122.84 3hfx h GLU 437 Ca -0.41 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 57.62 3hfx h GLU 437 Cb 1.33 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3hfx h GLU 437 CO 0.63 0.93 0.00 0.28 -1.00 0.00 0.00 179.01 179.85 3hfx n VAL 438 N -4.34 0.00 0.00 3.13 0.31 -1.26 -4.85 118.33 111.32 3hfx n VAL 438 Ca -0.05 0.87 0.00 0.00 -0.01 0.00 0.00 64.34 65.15 3hfx n VAL 438 Cb 0.46 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3hfx n VAL 438 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3hfx n ARG 439 N -1.21 0.20 0.00 5.55 5.12 -1.26 -5.18 116.66 119.88 3hfx n ARG 439 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3hfx n ARG 439 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3hfx n ARG 439 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3hfx n ASP 440 N 0.00 0.00 -3.48 0.55 3.85 -1.26 -4.96 116.55 111.24 3hfx n ASP 440 Ca 0.00 0.00 -0.43 0.00 -0.71 0.00 0.00 54.79 53.65 3hfx n ASP 440 Cb 0.00 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 39.66 3hfx n ASP 440 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hfx n GLY 441 N 5.00 0.76 0.00 6.12 0.00 -1.26 -4.81 105.19 111.00 3hfx n GLY 441 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3hfx n GLY 441 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hfx n GLU 442 N 7.75 0.00 0.04 1.61 -0.58 -1.26 -4.86 120.64 123.35 3hfx n GLU 442 Ca 0.45 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 57.17 3hfx n GLU 442 Cb 0.40 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.26 3hfx n GLU 442 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3hfx h GLU 443 N 0.00 -0.15 -0.81 3.49 4.57 -2.04 -3.38 114.58 116.27 3hfx h GLU 443 Ca 0.00 0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.34 3hfx h GLU 443 Cb 0.00 0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 28.53 3hfx h GLU 443 CO 0.00 -0.10 0.38 -1.35 -1.18 0.00 0.00 179.01 176.76 3hfx h PRO 444 N -0.48 0.52 -5.54 0.92 0.11 -1.96 -3.41 132.00 122.16 3hfx h PRO 444 Ca -0.02 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.90 3hfx h PRO 444 Cb 0.12 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3hfx h PRO 444 CO 0.03 0.34 0.43 -1.25 -0.21 0.00 0.00 178.00 177.34 3hfx s PRO 445 N -5.99 2.08 0.00 1.05 0.04 -1.26 -4.42 135.00 126.50 3hfx s PRO 445 Ca -0.12 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.07 3hfx s PRO 445 Cb 0.21 -4.90 0.00 0.00 0.04 0.00 0.00 34.50 29.86 3hfx s PRO 445 CO 0.77 -3.88 0.00 -0.11 0.04 0.00 0.00 177.00 173.82 3hfx n LEU 446 N 16.29 0.00 0.00 -3.56 0.00 -1.26 -4.80 117.00 123.67 3hfx n LEU 446 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.44 3hfx n LEU 446 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.87 3hfx n LEU 446 CO 0.58 0.00 0.49 -0.11 0.00 0.00 0.00 177.39 178.34 3hfx n LEU 447 N 0.00 0.00 0.17 -1.96 7.94 -1.26 -0.76 117.00 121.13 3hfx n LEU 447 Ca 0.00 0.29 -0.10 0.00 -1.11 0.00 0.00 56.01 55.09 3hfx n LEU 447 Cb 0.00 -0.29 -0.06 0.00 0.53 0.00 0.00 43.42 43.61 3hfx n LEU 447 CO 0.00 -0.29 0.31 0.58 -1.11 0.00 0.00 177.39 176.88 3hfx h VAL 448 N 0.00 0.27 -0.50 1.96 2.07 -1.91 -2.71 116.25 115.44 3hfx h VAL 448 Ca 0.00 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 66.88 3hfx h VAL 448 Cb 0.39 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3hfx h VAL 448 CO 0.00 0.06 0.24 -0.09 0.02 0.00 0.00 177.57 177.80 3hfx h ARG 449 N -1.05 0.45 0.00 1.57 2.43 -1.22 -2.54 114.38 114.02 3hfx h ARG 449 Ca -0.05 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3hfx h ARG 449 Cb 0.49 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3hfx h ARG 449 CO 0.08 0.30 -0.03 -0.84 -1.51 0.00 0.00 179.97 177.97 3hfx h ILE 450 N 0.46 0.13 0.08 1.20 3.07 -1.60 -2.65 117.51 118.20 3hfx h ILE 450 Ca 0.23 -0.38 -0.19 0.00 1.55 0.00 0.00 64.86 66.07 3hfx h ILE 450 Cb 0.16 1.33 0.00 0.00 -0.27 0.00 0.00 36.82 38.04 3hfx h ILE 450 CO -0.18 0.03 -0.92 1.23 -1.05 0.00 0.00 178.15 177.27 3hfx h GLY 451 N 1.19 0.20 2.00 0.16 0.00 -1.12 -3.27 103.07 102.24 3hfx h GLY 451 Ca -0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 3hfx h GLY 451 CO 0.00 0.46 -0.21 1.49 0.00 0.00 0.00 176.54 178.28 3hfx h TRP 452 N -0.56 0.00 -0.21 5.60 6.55 -1.42 -1.22 115.95 124.69 3hfx h TRP 452 Ca -0.20 0.00 0.05 0.00 0.95 0.00 0.00 58.89 59.70 3hfx h TRP 452 Cb 1.51 0.00 -0.07 0.00 -0.86 0.00 0.00 29.16 29.74 3hfx h TRP 452 CO 0.18 0.21 -0.38 0.77 -1.05 0.00 0.00 178.44 178.17 3hfx h SER 453 N 0.00 -1.21 -0.79 -3.49 0.02 -1.58 0.29 113.55 106.79 3hfx h SER 453 Ca -0.00 0.17 0.09 0.00 -0.84 0.00 0.00 61.79 61.21 3hfx h SER 453 Cb 0.42 0.51 -0.05 0.00 0.14 0.00 0.00 62.40 63.42 3hfx h SER 453 CO 0.03 -0.38 0.51 0.40 -1.14 0.00 0.00 176.83 176.25 3hfx h ILE 454 N -0.41 0.97 -0.08 3.27 2.04 -1.30 -1.78 117.51 120.21 3hfx h ILE 454 Ca 0.10 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 3hfx h ILE 454 Cb 0.59 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3hfx h ILE 454 CO -0.43 0.14 -0.27 0.25 0.00 0.00 0.00 178.15 177.83 3hfx h LEU 455 N 0.76 0.39 0.14 1.44 5.85 -0.51 -1.68 115.31 121.70 3hfx h LEU 455 Ca 0.36 -0.61 0.01 0.00 0.84 0.00 0.00 57.88 58.47 3hfx h LEU 455 Cb 0.39 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3hfx h LEU 455 CO -0.13 0.93 -0.17 0.58 -0.34 0.00 0.00 178.44 179.31 3hfx h VAL 456 N -0.14 0.63 -0.84 1.05 2.07 -0.31 -2.77 116.25 115.95 3hfx h VAL 456 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3hfx h VAL 456 Cb 0.90 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3hfx h VAL 456 CO 0.06 0.00 0.55 1.23 0.02 0.00 0.00 177.57 179.43 3hfx h GLY 457 N -0.35 1.19 1.81 2.17 0.00 -1.37 -1.63 103.07 104.89 3hfx h GLY 457 Ca 0.01 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 46.78 3hfx h GLY 457 CO -0.06 0.33 -0.68 0.16 0.00 0.00 0.00 176.54 176.29 3hfx h ILE 458 N 1.01 1.43 -0.30 2.60 3.07 -1.18 -1.77 117.51 122.37 3hfx h ILE 458 Ca 0.34 -2.19 -0.10 0.00 1.55 0.00 0.00 64.86 64.47 3hfx h ILE 458 Cb 0.09 2.15 -0.01 0.00 -0.27 0.00 0.00 36.82 38.77 3hfx h ILE 458 CO -0.11 0.64 -0.21 0.40 -1.05 0.00 0.00 178.15 177.82 3hfx h ILE 459 N 0.13 1.26 -0.33 0.16 2.04 -1.20 -2.59 117.51 116.97 3hfx h ILE 459 Ca -0.02 -1.24 0.07 0.00 1.00 0.00 0.00 64.86 64.68 3hfx h ILE 459 Cb 1.21 1.26 -0.08 0.00 -0.74 0.00 0.00 36.82 38.47 3hfx h ILE 459 CO 0.10 0.40 -0.34 1.23 0.00 0.00 0.00 178.15 179.55 3hfx h GLY 460 N 0.99 -0.33 1.51 5.37 0.00 -0.42 -1.86 103.07 108.33 3hfx h GLY 460 Ca 0.08 0.43 -0.16 0.00 0.00 0.00 0.00 47.33 47.67 3hfx h GLY 460 CO 0.05 -0.21 -0.59 0.16 0.00 0.00 0.00 176.54 175.95 3hfx h ILE 461 N -0.30 1.33 -0.88 2.60 3.07 -1.52 -2.98 117.51 118.84 3hfx h ILE 461 Ca 0.15 -1.87 0.23 0.00 1.55 0.00 0.00 64.86 64.92 3hfx h ILE 461 Cb 0.55 1.85 -0.14 0.00 -0.27 0.00 0.00 36.82 38.81 3hfx h ILE 461 CO -0.50 0.58 0.27 0.58 -1.05 0.00 0.00 178.15 178.03 3hfx h VAL 462 N 0.38 0.35 0.07 0.16 2.07 -1.02 0.43 116.25 118.69 3hfx h VAL 462 Ca -0.00 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3hfx h VAL 462 Cb 1.14 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3hfx h VAL 462 CO 0.11 0.04 -0.03 -0.07 0.02 0.00 0.00 177.57 177.64 3hfx h LEU 463 N 0.24 -0.08 -1.86 2.57 3.38 -1.27 -3.01 115.31 115.28 3hfx h LEU 463 Ca 0.56 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 58.19 3hfx h LEU 463 Cb 1.11 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3hfx h LEU 463 CO -0.63 0.40 0.28 -0.07 0.09 0.00 0.00 178.44 178.51 3hfx h LEU 464 N -0.59 0.14 -1.11 1.67 3.38 -1.12 0.38 115.31 118.06 3hfx h LEU 464 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hfx h LEU 464 Cb 0.50 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3hfx h LEU 464 CO 0.02 0.09 0.45 0.00 0.09 0.00 0.00 178.44 179.08 3hfx h ALA 465 N 1.80 1.33 0.00 1.53 0.00 -0.13 -2.39 119.26 121.39 3hfx h ALA 465 Ca 0.18 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 3hfx h ALA 465 Cb 0.52 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3hfx h ALA 465 CO -0.03 0.56 -0.91 -0.07 0.00 0.00 0.00 179.25 178.81 3hfx h LEU 466 N 1.07 0.00 0.00 0.00 3.38 -0.43 -3.48 115.31 115.85 3hfx h LEU 466 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3hfx h LEU 466 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hfx h LEU 466 CO -0.05 0.85 0.00 0.61 0.09 0.00 0.00 178.44 179.94 3hfx n GLY 467 N 1.33 0.57 0.65 0.83 0.00 0.98 -4.97 105.19 104.58 3hfx n GLY 467 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 3hfx n GLY 467 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfx n GLY 468 N -2.00 -1.45 0.09 -0.02 0.00 -1.26 -4.98 105.19 95.57 3hfx n GLY 468 Ca 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 46.02 44.33 3hfx n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hfx h LEU 469 N 0.00 0.00 -0.36 0.99 3.38 -1.98 -3.41 115.31 113.93 3hfx h LEU 469 Ca -0.07 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.97 3hfx h LEU 469 Cb 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 3hfx h LEU 469 CO 0.05 0.84 -0.09 0.11 0.09 0.00 0.00 178.44 179.44 3hfx h LYS 470 N 0.00 -0.00 -0.90 1.13 1.57 -1.97 0.48 116.57 116.87 3hfx h LYS 470 Ca -0.23 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 58.79 3hfx h LYS 470 Cb 1.84 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 34.02 3hfx h LYS 470 CO 0.07 -0.00 0.33 -1.35 -0.57 0.00 0.00 179.45 177.93 3hfx h PRO 471 N -0.01 0.27 0.04 3.15 0.11 -1.93 0.80 132.00 134.45 3hfx h PRO 471 Ca 0.17 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 66.03 3hfx h PRO 471 Cb 0.27 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 3hfx h PRO 471 CO -0.37 0.18 -1.18 -0.84 -0.21 0.00 0.00 178.00 175.58 3hfx h ILE 472 N 0.28 1.53 0.31 4.15 3.07 -1.69 -2.87 117.51 122.29 3hfx h ILE 472 Ca 0.58 -3.21 -0.02 0.00 1.55 0.00 0.00 64.86 63.76 3hfx h ILE 472 Cb 1.18 2.82 0.00 0.00 -0.27 0.00 0.00 36.82 40.56 3hfx h ILE 472 CO -0.61 0.90 -0.15 1.56 -1.05 0.00 0.00 178.15 178.80 3hfx h GLN 473 N 0.02 -0.40 -0.21 0.16 4.20 0.17 -2.86 115.11 116.19 3hfx h GLN 473 Ca -0.09 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3hfx h GLN 473 Cb 1.87 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.72 3hfx h GLN 473 CO 0.15 -0.09 -0.01 1.79 -0.67 0.00 0.00 178.83 180.00 3hfx h THR 474 N -0.74 1.14 -0.40 -0.54 1.35 0.28 -1.75 112.91 112.24 3hfx h THR 474 Ca -0.04 -0.54 0.04 0.00 -0.55 0.00 0.00 66.41 65.32 3hfx h THR 474 Cb 0.50 0.99 -0.04 0.00 -1.73 0.00 0.00 68.15 67.87 3hfx h THR 474 CO 0.07 0.18 0.16 0.00 -0.25 0.00 0.00 175.52 175.68 3hfx h ALA 475 N 1.70 0.48 -0.16 6.62 0.00 -1.43 0.12 119.26 126.59 3hfx h ALA 475 Ca 0.07 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3hfx h ALA 475 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hfx h ALA 475 CO 0.01 -0.23 -0.37 0.82 0.00 0.00 0.00 179.25 179.48 3hfx h ILE 476 N 0.33 1.35 0.42 0.00 1.08 -1.25 -2.27 117.51 117.17 3hfx h ILE 476 Ca 0.18 -1.63 -0.01 0.00 -0.39 0.00 0.00 64.86 63.02 3hfx h ILE 476 Cb 0.15 1.97 -0.03 0.00 -3.07 0.00 0.00 36.82 35.84 3hfx h ILE 476 CO -0.17 0.49 -0.45 0.40 -0.69 0.00 0.00 178.15 177.73 3hfx h ILE 477 N 0.18 0.10 -0.89 -0.67 2.04 -1.03 0.23 117.51 117.47 3hfx h ILE 477 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 3hfx h ILE 477 Cb 0.97 0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 3hfx h ILE 477 CO 0.08 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.80 3hfx h ALA 478 N -0.62 1.69 0.08 1.87 0.00 -0.87 -1.82 119.26 119.58 3hfx h ALA 478 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hfx h ALA 478 Cb 0.80 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hfx h ALA 478 CO -0.08 0.12 -0.08 0.78 0.00 0.00 0.00 179.25 179.98 3hfx h GLY 479 N 0.83 -0.78 2.00 0.00 0.00 -0.70 -3.15 103.07 101.27 3hfx h GLY 479 Ca 0.42 0.34 -0.01 0.00 0.00 0.00 0.00 47.33 48.08 3hfx h GLY 479 CO -0.18 -0.28 -0.04 -1.33 0.00 0.00 0.00 176.54 174.71 3hfx h GLY 480 N -0.16 0.00 -0.20 4.60 0.00 -0.69 -3.20 103.07 103.43 3hfx h GLY 480 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.35 3hfx h GLY 480 CO -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 176.54 176.22 3hfx h PRO 482 N -0.24 -0.07 0.00 0.00 0.11 -1.70 -3.22 132.00 126.89 3hfx h PRO 482 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3hfx h PRO 482 Cb 0.34 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3hfx h PRO 482 CO -0.31 -0.04 0.00 1.28 -0.21 0.00 0.00 178.00 178.71 3hfx n LEU 483 N -4.02 0.11 0.08 2.35 4.77 -0.13 -0.18 117.00 119.99 3hfx n LEU 483 Ca -0.00 0.54 -0.12 0.00 -0.03 0.00 0.00 56.01 56.41 3hfx n LEU 483 Cb 0.14 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 3hfx n LEU 483 CO -0.05 -0.49 0.72 0.15 -1.33 0.00 0.00 177.39 176.40 3hfx h PHE 484 N 0.00 -0.57 0.89 -1.77 3.04 0.32 0.37 116.94 119.23 3hfx h PHE 484 Ca 0.00 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.92 3hfx h PHE 484 Cb 0.10 0.24 0.01 0.00 2.56 0.00 0.00 35.95 38.86 3hfx h PHE 484 CO 0.00 -0.30 -0.46 0.74 -2.02 0.00 0.00 178.31 176.27 3hfx h PHE 485 N -0.37 -1.19 -0.98 0.41 -1.00 -0.73 -1.26 116.94 111.82 3hfx h PHE 485 Ca 0.05 -0.02 0.34 0.00 2.81 0.00 0.00 57.97 61.14 3hfx h PHE 485 Cb 0.42 0.40 -0.17 0.00 3.61 0.00 0.00 35.95 40.21 3hfx h PHE 485 CO -0.24 -0.72 0.37 0.28 -1.61 0.00 0.00 178.31 176.40 3hfx h VAL 486 N -1.23 0.10 0.22 -0.55 2.07 -1.51 0.20 116.25 115.54 3hfx h VAL 486 Ca -0.12 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3hfx h VAL 486 Cb 0.96 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3hfx h VAL 486 CO 0.18 0.02 -0.10 0.78 0.02 0.00 0.00 177.57 178.46 3hfx h ASN 487 N 0.08 -0.25 -0.86 0.57 4.21 -0.75 -1.88 115.58 116.71 3hfx h ASN 487 Ca 0.73 -0.20 0.09 0.00 1.21 0.00 0.00 56.30 58.12 3hfx h ASN 487 Cb 1.74 0.06 -0.06 0.00 -1.12 0.00 0.00 38.32 38.95 3hfx h ASN 487 CO -0.77 0.08 0.56 0.16 -1.29 0.00 0.00 177.43 176.17 3hfx h ILE 488 N -0.59 0.98 0.11 2.81 3.07 0.43 -2.19 117.51 122.13 3hfx h ILE 488 Ca -0.03 -0.29 -0.00 0.00 1.55 0.00 0.00 64.86 66.08 3hfx h ILE 488 Cb 0.43 0.05 -0.00 0.00 -0.27 0.00 0.00 36.82 37.03 3hfx h ILE 488 CO 0.05 0.16 -0.07 0.24 -1.05 0.00 0.00 178.15 177.48 3hfx h MET 489 N 0.86 -0.16 -1.49 0.16 2.86 -0.67 0.21 114.93 116.69 3hfx h MET 489 Ca 0.39 0.01 0.45 0.00 -2.06 0.00 0.00 59.70 58.49 3hfx h MET 489 Cb 0.38 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.98 3hfx h MET 489 CO -0.16 -0.11 1.02 0.28 1.06 0.00 0.00 176.91 179.01 3hfx h VAL 490 N -0.17 0.17 0.18 -2.22 2.07 -1.06 0.16 116.25 115.39 3hfx h VAL 490 Ca -0.01 -0.02 -0.34 0.00 0.82 0.00 0.00 66.70 67.14 3hfx h VAL 490 Cb 0.13 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3hfx h VAL 490 CO 0.01 0.01 -1.66 0.00 0.02 0.00 0.00 177.57 175.95 3hfx h THR 491 N 0.06 1.04 0.71 2.57 1.03 -1.24 -2.63 112.91 114.45 3hfx h THR 491 Ca 0.79 -2.61 -0.03 0.00 -0.01 0.00 0.00 66.41 64.55 3hfx h THR 491 Cb 2.83 2.81 0.01 0.00 -1.07 0.00 0.00 68.15 72.73 3hfx h THR 491 CO -0.20 0.84 -0.34 -0.07 -0.01 0.00 0.00 175.52 175.75 3hfx h LEU 492 N 0.11 -0.80 -0.87 0.00 3.38 0.13 -2.11 115.31 115.15 3hfx h LEU 492 Ca -0.31 0.01 0.29 0.00 0.09 0.00 0.00 57.88 57.96 3hfx h LEU 492 Cb 2.10 0.21 -0.16 0.00 0.09 0.00 0.00 40.66 42.89 3hfx h LEU 492 CO 0.19 -0.54 0.20 -0.24 0.09 0.00 0.00 178.44 178.14 3hfx n SER 493 N -5.48 0.06 -0.09 -0.43 2.88 0.15 -0.28 113.62 110.43 3hfx n SER 493 Ca -0.14 1.47 -0.13 0.00 -1.33 0.00 0.00 58.87 58.75 3hfx n SER 493 Cb 0.39 -0.61 -0.04 0.00 -0.75 0.00 0.00 64.21 63.20 3hfx n SER 493 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3hfx h PHE 494 N 0.00 0.74 0.52 0.66 3.57 -1.12 -3.19 116.94 118.12 3hfx h PHE 494 Ca 0.61 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 61.89 3hfx h PHE 494 Cb 1.44 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 40.02 3hfx h PHE 494 CO -0.27 0.90 -0.25 0.82 -2.23 0.00 0.00 178.31 177.28 3hfx h ILE 495 N 0.37 0.45 0.00 1.41 2.04 0.04 -2.01 117.51 119.81 3hfx h ILE 495 Ca 0.06 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3hfx h ILE 495 Cb 0.74 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3hfx h ILE 495 CO 0.05 0.03 -0.12 0.07 0.00 0.00 0.00 178.15 178.19 3hfx h LYS 496 N -0.84 0.00 0.00 2.37 2.10 -1.56 1.13 116.57 119.77 3hfx h LYS 496 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3hfx h LYS 496 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 3hfx h LYS 496 CO 0.12 0.12 0.00 -3.47 -2.00 0.00 0.00 179.45 174.22 3hfx n ASP 497 N -3.98 0.00 -0.18 7.07 4.64 -1.16 -3.81 116.55 119.13 3hfx n ASP 497 Ca -0.02 0.22 0.15 0.00 -1.38 0.00 0.00 54.79 53.75 3hfx n ASP 497 Cb 0.21 0.00 0.27 0.00 -1.04 0.00 0.00 41.12 40.56 3hfx n ASP 497 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hfx n ALA 498 N -1.59 0.48 -0.09 -1.67 0.00 -0.77 -1.60 120.51 115.28 3hfx n ALA 498 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3hfx n ALA 498 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3hfx n ALA 498 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3hfx n LYS 499 N -4.40 0.00 0.17 0.00 0.00 0.39 -1.38 118.16 112.94 3hfx n LYS 499 Ca 0.18 0.91 0.09 0.00 0.00 0.00 0.00 58.31 59.49 3hfx n LYS 499 Cb 0.62 -1.46 0.09 0.00 0.00 0.00 0.00 35.03 34.28 3hfx n LYS 499 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 3hfx h GLN 500 N 0.00 0.00 -0.75 1.64 -0.00 -1.41 -3.32 115.11 111.28 3hfx h GLN 500 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3hfx h GLN 500 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 3hfx h GLN 500 CO 0.00 0.15 0.00 -1.71 -0.00 0.00 0.00 178.83 177.27 3hfx n ASN 501 N -3.05 3.68 -0.69 0.06 2.85 -0.62 -4.88 115.26 112.60 3hfx n ASN 501 Ca 0.02 -2.52 0.00 0.00 -0.11 0.00 0.00 54.58 51.97 3hfx n ASN 501 Cb 0.60 -0.60 0.00 0.00 1.24 0.00 0.00 39.78 41.03 3hfx n ASN 501 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 3hfx n TRP 502 N 0.37 0.00 -1.41 1.20 7.02 -0.48 -4.85 117.44 119.29 3hfx n TRP 502 Ca 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.64 3hfx n TRP 502 Cb 0.78 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.67 3hfx n TRP 502 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3hfx n LYS 503 N 0.00 0.00 0.00 -0.99 4.76 -1.26 -5.05 118.16 115.62 3hfx n LYS 503 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3hfx n LYS 503 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 3hfx n LYS 503 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78