#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcf n SER 25 N 0.00 0.47 0.17 0.00 7.64 -1.26 -2.30 113.62 118.34 3hcf n SER 25 Ca 0.00 0.58 0.02 0.00 1.01 0.00 0.00 58.87 60.49 3hcf n SER 25 Cb 0.00 -0.69 0.36 0.00 -1.01 0.00 0.00 64.21 62.87 3hcf n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hcf h ALA 26 N 2.49 1.41 0.00 -0.43 0.00 -2.03 -2.77 119.26 117.93 3hcf h ALA 26 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hcf h ALA 26 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hcf h ALA 26 CO 0.00 0.44 0.00 0.66 0.00 0.00 0.00 179.25 180.35 3hcf n TYR 27 N -4.13 0.00 0.38 0.00 4.02 -0.97 -2.24 117.16 114.21 3hcf n TYR 27 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.99 3hcf n TYR 27 Cb 0.38 -0.19 0.22 0.00 -0.02 0.00 0.00 39.34 39.74 3hcf n TYR 27 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3hcf h GLN 28 N 0.00 0.00 -0.17 -0.72 1.08 -1.67 -3.09 115.11 110.55 3hcf h GLN 28 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3hcf h GLN 28 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3hcf h GLN 28 CO 0.00 0.00 0.00 0.54 -0.95 0.00 0.00 178.83 178.42 3hcf n ARG 29 N -2.66 2.34 -1.73 1.46 1.74 -0.95 -4.98 116.66 111.88 3hcf n ARG 29 Ca 0.04 -1.97 -0.42 0.00 -0.77 0.00 0.00 57.85 54.72 3hcf n ARG 29 Cb 0.49 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.42 3hcf n ARG 29 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3hcf s PHE 30 N -1.80 1.87 -0.38 -1.55 5.36 -1.17 -3.45 117.98 116.86 3hcf s PHE 30 Ca 0.33 -0.13 -0.06 0.00 -0.96 0.00 0.00 56.93 56.10 3hcf s PHE 30 Cb 0.21 -4.17 0.07 0.00 -0.34 0.00 0.00 43.02 38.79 3hcf s PHE 30 CO 0.31 -4.98 0.18 -1.21 -1.46 0.00 0.00 175.22 168.05 3hcf s GLU 31 N 3.36 2.43 0.12 10.12 2.02 -0.46 -5.01 118.70 131.29 3hcf s GLU 31 Ca 0.83 -1.47 -0.23 0.00 0.02 0.00 0.00 54.97 54.12 3hcf s GLU 31 Cb -0.44 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.17 3hcf s GLU 31 CO 0.37 -0.88 1.67 -1.35 0.02 0.00 0.00 175.26 175.10 3hcf h PRO 32 N 8.22 -0.21 -1.01 0.39 0.11 -1.94 -0.10 132.00 137.46 3hcf h PRO 32 Ca -0.20 0.01 0.24 0.00 0.11 0.00 0.00 66.00 66.16 3hcf h PRO 32 Cb 1.07 0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.11 3hcf h PRO 32 CO 0.68 -0.14 0.62 0.00 -0.21 0.00 0.00 178.00 178.95 3hcf h ARG 33 N -0.22 0.55 0.00 1.05 2.47 -1.96 0.11 114.38 116.39 3hcf h ARG 33 Ca 0.08 -0.03 -0.18 0.00 -1.26 0.00 0.00 59.98 58.58 3hcf h ARG 33 Cb 0.32 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 3hcf h ARG 33 CO -0.20 0.36 -0.86 0.00 0.56 0.00 0.00 179.97 179.83 3hcf h ALA 34 N 1.69 0.54 0.44 0.04 0.00 -1.58 -1.18 119.26 119.21 3hcf h ALA 34 Ca 0.62 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3hcf h ALA 34 Cb 1.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hcf h ALA 34 CO -0.42 1.07 -0.21 -0.92 0.00 0.00 0.00 179.25 178.77 3hcf h TYR 35 N 0.00 -0.55 -0.74 0.00 3.20 0.83 -1.77 116.97 117.94 3hcf h TYR 35 Ca -0.01 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.00 3hcf h TYR 35 Cb 1.56 0.18 -0.14 0.00 1.54 0.00 0.00 36.73 39.87 3hcf h TYR 35 CO 0.00 -0.34 -0.20 -0.07 -1.64 0.00 0.00 178.16 175.91 3hcf h LEU 36 N -0.59 -0.75 -1.27 2.82 3.38 -0.94 0.25 115.31 118.20 3hcf h LEU 36 Ca -0.06 0.23 0.08 0.00 0.09 0.00 0.00 57.88 58.22 3hcf h LEU 36 Cb 0.45 0.48 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 3hcf h LEU 36 CO 0.10 -0.25 0.54 -0.09 0.09 0.00 0.00 178.44 178.82 3hcf h ARG 37 N -0.01 0.82 0.00 1.13 2.43 -1.23 0.52 114.38 118.03 3hcf h ARG 37 Ca 0.35 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 3hcf h ARG 37 Cb 0.55 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3hcf h ARG 37 CO -0.77 0.54 -0.15 -0.91 -1.51 0.00 0.00 179.97 177.17 3hcf h ASN 38 N 0.84 0.00 0.00 -3.80 4.21 0.40 -3.30 115.58 113.92 3hcf h ASN 38 Ca 0.37 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.88 3hcf h ASN 38 Cb 0.33 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 3hcf h ASN 38 CO -0.14 0.15 0.00 0.59 -1.29 0.00 0.00 177.43 176.74 3hcf n ASN 39 N -3.17 0.00 0.00 5.81 3.02 -0.71 -4.83 115.26 115.38 3hcf n ASN 39 Ca 0.02 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 3hcf n ASN 39 Cb 0.53 0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.96 3hcf n ASN 39 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3hcf n TYR 40 N -0.25 0.00 -3.92 3.10 4.02 0.18 -4.51 117.16 115.77 3hcf n TYR 40 Ca 0.00 -0.08 -0.23 0.00 -0.01 0.00 0.00 57.90 57.58 3hcf n TYR 40 Cb 0.00 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 3hcf n TYR 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hcf s ALA 41 N -0.17 3.73 0.69 -0.72 0.00 -1.15 -4.19 121.76 119.96 3hcf s ALA 41 Ca 0.00 -1.96 -0.14 0.00 0.00 0.00 0.00 51.96 49.86 3hcf s ALA 41 Cb 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.44 3hcf s ALA 41 CO 0.00 -0.13 1.13 -2.14 0.00 0.00 0.00 175.76 174.61 3hcf s PRO 42 N -3.97 2.55 0.29 0.00 0.02 -1.26 0.21 135.00 132.84 3hcf s PRO 42 Ca 0.43 1.45 0.04 0.00 0.02 0.00 0.00 61.00 62.93 3hcf s PRO 42 Cb -0.00 -1.91 0.44 0.00 0.02 0.00 0.00 34.50 33.04 3hcf s PRO 42 CO 0.25 -1.45 1.72 -1.35 -0.33 0.00 0.00 177.00 175.84 3hcf h PRO 43 N -0.21 0.41 0.00 5.54 0.11 -1.93 -3.43 132.00 132.49 3hcf h PRO 43 Ca -0.46 -0.16 -0.11 0.00 0.11 0.00 0.00 66.00 65.38 3hcf h PRO 43 Cb 1.26 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3hcf h PRO 43 CO 0.52 0.66 -0.50 0.00 -0.21 0.00 0.00 178.00 178.48 3hcf h ARG 44 N 0.36 0.00 -0.01 1.05 3.08 -1.84 -2.75 114.38 114.27 3hcf h ARG 44 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3hcf h ARG 44 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3hcf h ARG 44 CO 0.05 0.50 -0.12 0.41 -1.07 0.00 0.00 179.97 179.74 3hcf n GLY 45 N 0.02 -0.59 3.55 0.04 0.00 0.13 -4.34 105.19 104.00 3hcf n GLY 45 Ca -0.01 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 3hcf n GLY 45 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hcf s ASP 46 N -2.32 6.25 0.00 1.61 3.68 -1.04 -4.55 116.67 120.30 3hcf s ASP 46 Ca 0.31 -0.73 0.12 0.00 2.13 0.00 0.00 52.55 54.38 3hcf s ASP 46 Cb 0.20 -2.56 0.71 0.00 -1.45 0.00 0.00 42.92 39.82 3hcf s ASP 46 CO 0.44 -1.74 1.25 0.18 0.13 0.00 0.00 175.17 175.43 3hcf n LEU 47 N 9.22 0.00 -0.07 -1.34 4.77 -1.26 -4.03 117.00 124.28 3hcf n LEU 47 Ca 0.11 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 3hcf n LEU 47 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 3hcf n LEU 47 CO 0.70 0.00 0.68 0.00 -1.33 0.00 0.00 177.39 177.43 3hcf s ASN 49 N -6.08 7.05 0.08 0.00 3.84 -1.26 -4.90 114.94 113.67 3hcf s ASN 49 Ca -0.14 1.47 0.20 0.00 0.21 0.00 0.00 52.86 54.61 3hcf s ASN 49 Cb 0.07 -2.54 0.83 0.00 -0.55 0.00 0.00 41.25 39.06 3hcf s ASN 49 CO 0.76 -0.70 1.63 -0.81 -2.79 0.00 0.00 177.10 175.19 3hcf n PRO 50 N 6.42 0.07 -0.01 0.43 -0.05 -1.26 -2.05 135.00 138.54 3hcf n PRO 50 Ca 0.13 0.24 0.14 0.00 -0.05 0.00 0.00 63.50 63.95 3hcf n PRO 50 Cb 0.46 -1.61 0.59 0.00 -0.05 0.00 0.00 33.50 32.89 3hcf n PRO 50 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3hcf n ASN 51 N -1.73 1.12 -4.34 3.54 3.02 -1.26 -4.44 115.26 111.17 3hcf n ASN 51 Ca 0.04 -1.42 -0.30 0.00 -0.03 0.00 0.00 54.58 52.87 3hcf n ASN 51 Cb 0.24 -0.02 0.16 0.00 -0.61 0.00 0.00 39.78 39.55 3hcf n ASN 51 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hcf s GLY 52 N -1.90 1.70 0.12 7.41 0.00 -0.87 -4.96 107.32 108.82 3hcf s GLY 52 Ca 0.39 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 44.14 3hcf s GLY 52 CO 0.32 -0.30 1.26 -0.24 0.00 0.00 0.00 173.10 174.14 3hcf h VAL 53 N -1.57 1.62 0.00 1.40 3.04 -1.88 -2.97 116.25 115.90 3hcf h VAL 53 Ca -0.45 -3.20 -0.00 0.00 -1.01 0.00 0.00 66.70 62.04 3hcf h VAL 53 Cb 1.27 2.82 0.00 0.00 -2.01 0.00 0.00 31.29 33.36 3hcf h VAL 53 CO 0.46 0.92 -0.00 1.23 -1.01 0.00 0.00 177.57 179.17 3hcf h GLY 54 N 2.43 -0.01 0.43 3.17 0.00 -1.94 -0.63 103.07 106.52 3hcf h GLY 54 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.37 3hcf h GLY 54 CO 0.15 -0.00 0.23 -2.55 0.00 0.00 0.00 176.54 174.37 3hcf h PRO 55 N -0.35 0.40 0.06 4.80 0.11 -1.85 0.40 132.00 135.58 3hcf h PRO 55 Ca -0.00 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.09 3hcf h PRO 55 Cb 0.34 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3hcf h PRO 55 CO 0.00 0.27 -0.08 2.35 -0.21 0.00 0.00 178.00 180.33 3hcf h TRP 56 N 0.42 -0.21 0.44 0.65 7.01 -1.34 0.11 115.95 123.03 3hcf h TRP 56 Ca 0.30 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.29 3hcf h TRP 56 Cb 0.35 0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.47 3hcf h TRP 56 CO -0.16 -0.13 -0.50 0.87 -2.79 0.00 0.00 178.44 175.73 3hcf h LYS 57 N -0.17 -0.93 -0.91 2.65 1.57 -0.86 -1.04 116.57 116.88 3hcf h LYS 57 Ca 0.01 0.06 0.21 0.00 -1.87 0.00 0.00 60.65 59.06 3hcf h LYS 57 Cb 0.18 0.21 -0.12 0.00 0.08 0.00 0.00 32.23 32.58 3hcf h LYS 57 CO -0.04 -0.62 0.44 -0.07 -0.57 0.00 0.00 179.45 178.59 3hcf h LEU 58 N -0.97 0.44 -0.51 2.94 3.38 -0.58 0.11 115.31 120.14 3hcf h LEU 58 Ca -0.05 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3hcf h LEU 58 Cb 0.85 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3hcf h LEU 58 CO -0.10 0.07 0.09 -0.09 0.09 0.00 0.00 178.44 178.51 3hcf h ARG 59 N 0.49 0.83 -0.45 1.13 2.43 -0.52 -0.45 114.38 117.85 3hcf h ARG 59 Ca 0.55 -0.22 0.05 0.00 -0.81 0.00 0.00 59.98 59.56 3hcf h ARG 59 Cb 1.00 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.40 3hcf h ARG 59 CO -0.48 0.82 0.18 0.00 -1.51 0.00 0.00 179.97 178.98 3hcf h LEU 61 N 0.37 -0.06 0.25 0.00 3.38 -1.29 -1.72 115.31 116.24 3hcf h LEU 61 Ca 0.21 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hcf h LEU 61 Cb 0.17 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3hcf h LEU 61 CO -0.19 0.15 -0.52 0.00 0.09 0.00 0.00 178.44 177.97 3hcf h ALA 62 N 0.66 -1.05 -0.54 1.53 0.00 -0.68 -1.14 119.26 118.04 3hcf h ALA 62 Ca -0.01 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.87 3hcf h ALA 62 Cb 0.24 0.84 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 3hcf h ALA 62 CO 0.01 -1.15 -0.26 1.96 0.00 0.00 0.00 179.25 179.82 3hcf h GLN 63 N -0.84 -0.12 -0.81 0.00 4.20 -0.52 -0.79 115.11 116.23 3hcf h GLN 63 Ca -0.03 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.75 3hcf h GLN 63 Cb 0.79 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.54 3hcf h GLN 63 CO -0.21 -0.08 0.49 1.15 -0.67 0.00 0.00 178.83 179.51 3hcf h THR 64 N -0.12 1.02 0.00 -0.54 2.02 -0.44 -1.92 112.91 112.92 3hcf h THR 64 Ca 0.24 -0.30 -0.21 0.00 0.77 0.00 0.00 66.41 66.91 3hcf h THR 64 Cb 0.51 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3hcf h THR 64 CO -0.62 0.16 -0.91 -0.26 0.37 0.00 0.00 175.52 174.27 3hcf h PHE 65 N 0.89 0.45 0.00 3.16 -1.00 -0.73 -3.14 116.94 116.56 3hcf h PHE 65 Ca 0.36 -0.24 0.00 0.00 2.81 0.00 0.00 57.97 60.89 3hcf h PHE 65 Cb 0.19 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.70 3hcf h PHE 65 CO -0.04 1.06 0.00 0.00 -1.61 0.00 0.00 178.31 177.71 3hcf n ALA 66 N -2.50 1.68 0.15 2.45 0.00 -0.35 0.15 120.51 122.09 3hcf n ALA 66 Ca -0.05 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.35 3hcf n ALA 66 Cb 0.82 -1.18 0.18 0.00 0.00 0.00 0.00 19.45 19.27 3hcf n ALA 66 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3hcf h THR 67 N 0.00 1.14 -0.96 0.00 1.35 -1.46 -3.47 112.91 109.51 3hcf h THR 67 Ca 0.00 -2.05 -0.33 0.00 -0.55 0.00 0.00 66.41 63.48 3hcf h THR 67 Cb 0.11 2.19 -0.12 0.00 -1.73 0.00 0.00 68.15 68.60 3hcf h THR 67 CO 0.00 0.53 -0.31 0.61 -0.25 0.00 0.00 175.52 176.10 3hcf n GLY 68 N 0.55 1.38 0.03 5.82 0.00 0.12 -4.86 105.19 108.24 3hcf n GLY 68 Ca -0.00 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.88 3hcf n GLY 68 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hcf n GLU 69 N -2.53 0.47 -3.28 1.61 1.02 -1.26 -4.69 120.64 111.98 3hcf n GLU 69 Ca -0.17 -0.07 -0.45 0.00 -0.02 0.00 0.00 57.16 56.46 3hcf n GLU 69 Cb 0.54 -1.59 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 3hcf n GLU 69 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hcf s VAL 70 N -3.34 5.09 0.13 2.62 1.01 -1.26 -5.04 120.40 119.61 3hcf s VAL 70 Ca -0.02 -1.05 -0.14 0.00 0.00 0.00 0.00 61.98 60.78 3hcf s VAL 70 Cb 0.14 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.26 3hcf s VAL 70 CO 0.86 -0.79 0.36 -0.94 0.00 0.00 0.00 175.10 174.58 3hcf s SER 71 N 3.05 -0.12 0.00 3.32 1.04 -1.26 -4.95 113.70 114.77 3hcf s SER 71 Ca 0.07 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.01 3hcf s SER 71 Cb -0.25 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3hcf s SER 71 CO 0.07 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.04 3hcf n GLY 72 N -0.20 -0.50 0.04 7.32 0.00 -1.25 -4.94 105.19 105.66 3hcf n GLY 72 Ca -0.14 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 3hcf n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hcf n ARG 73 N 0.00 0.57 -4.40 1.61 0.63 -1.26 -4.41 116.66 109.39 3hcf n ARG 73 Ca 0.00 0.05 -0.27 0.00 -0.92 0.00 0.00 57.85 56.70 3hcf n ARG 73 Cb 0.00 -1.18 -0.12 0.00 0.45 0.00 0.00 32.46 31.61 3hcf n ARG 73 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3hcf s THR 74 N -2.18 2.44 -0.07 5.15 -4.23 -1.26 -0.45 115.64 115.03 3hcf s THR 74 Ca -0.11 -1.95 -0.21 0.00 -1.18 0.00 0.00 61.69 58.23 3hcf s THR 74 Cb 0.03 -2.16 0.05 0.00 1.34 0.00 0.00 72.50 71.76 3hcf s THR 74 CO 0.22 -0.09 0.49 -0.22 -0.54 0.00 0.00 174.62 174.49 3hcf s LEU 75 N -2.60 0.11 -0.06 4.79 0.20 0.21 -2.20 118.68 119.13 3hcf s LEU 75 Ca 0.20 0.56 0.03 0.00 0.69 0.00 0.00 54.13 55.61 3hcf s LEU 75 Cb -0.08 1.85 0.01 0.00 -0.43 0.00 0.00 46.19 47.53 3hcf s LEU 75 CO 0.10 -0.43 -0.14 -0.63 -0.29 0.00 0.00 176.35 174.95 3hcf s ILE 76 N -0.86 1.25 -0.27 6.68 1.01 -0.87 -0.17 121.20 127.97 3hcf s ILE 76 Ca -0.09 -0.56 -0.15 0.00 0.00 0.00 0.00 60.65 59.84 3hcf s ILE 76 Cb -0.03 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 3hcf s ILE 76 CO 0.05 0.38 0.38 -0.62 0.00 0.00 0.00 174.94 175.13 3hcf s ASP 77 N 0.49 6.26 -0.36 3.58 2.15 0.11 -1.57 116.67 127.33 3hcf s ASP 77 Ca -0.12 0.30 -0.17 0.00 0.43 0.00 0.00 52.55 52.98 3hcf s ASP 77 Cb -0.15 -2.21 -0.00 0.00 -0.30 0.00 0.00 42.92 40.26 3hcf s ASP 77 CO 0.04 -0.18 0.48 -0.63 -0.17 0.00 0.00 175.17 174.70 3hcf s ILE 78 N 2.06 5.05 -0.67 4.11 -1.09 0.12 -2.23 121.20 128.56 3hcf s ILE 78 Ca 0.15 0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.75 3hcf s ILE 78 Cb -0.16 -3.95 -0.02 0.00 -1.58 0.00 0.00 42.46 36.75 3hcf s ILE 78 CO 0.10 -0.22 0.57 0.61 -1.23 0.00 0.00 174.94 174.76 3hcf n GLY 79 N 4.87 -0.19 0.24 6.18 0.00 -1.12 -4.31 105.19 110.85 3hcf n GLY 79 Ca -0.06 0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3hcf n GLY 79 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hcf h SER 80 N -0.87 0.24 0.00 1.61 0.02 -0.32 -3.43 113.55 110.81 3hcf h SER 80 Ca -0.36 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3hcf h SER 80 Cb 1.19 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3hcf h SER 80 CO 0.28 0.43 0.00 0.61 -1.14 0.00 0.00 176.83 177.01 3hcf n GLY 81 N -0.78 1.94 2.47 -3.77 0.00 -1.25 -2.42 105.19 101.38 3hcf n GLY 81 Ca -0.01 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 3hcf n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hcf n PRO 82 N 8.44 2.60 -4.08 1.61 -0.05 -1.26 -4.71 135.00 137.54 3hcf n PRO 82 Ca 0.00 -3.13 -0.11 0.00 -0.05 0.00 0.00 63.50 60.21 3hcf n PRO 82 Cb 0.00 -2.21 -0.11 0.00 -0.05 0.00 0.00 33.50 31.13 3hcf n PRO 82 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 3hcf s THR 83 N -4.49 0.51 0.00 0.52 -4.23 -1.02 -4.87 115.64 102.07 3hcf s THR 83 Ca 0.57 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 3hcf s THR 83 Cb 0.46 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 73.37 3hcf s THR 83 CO -0.14 -0.57 0.00 1.33 -0.54 0.00 0.00 174.62 174.70 3hcf n VAL 84 N 0.98 0.00 -0.37 2.29 0.24 -1.26 -4.76 118.33 115.45 3hcf n VAL 84 Ca -0.19 0.00 0.28 0.00 -2.04 0.00 0.00 64.34 62.38 3hcf n VAL 84 Cb 0.57 0.01 0.55 0.00 -1.47 0.00 0.00 33.84 33.49 3hcf n VAL 84 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 3hcf h TYR 85 N 0.00 0.67 0.00 6.34 -0.00 -1.97 0.58 116.97 122.59 3hcf h TYR 85 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.76 3hcf h TYR 85 Cb 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 36.73 36.78 3hcf h TYR 85 CO 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 178.16 178.08 3hcf n GLN 86 N -4.74 0.07 0.00 0.10 0.00 -1.26 -1.75 117.38 109.80 3hcf n GLN 86 Ca 0.31 0.49 0.05 0.00 0.00 0.00 0.00 57.00 57.85 3hcf n GLN 86 Cb 1.08 -1.70 -0.02 0.00 0.00 0.00 0.00 30.24 29.61 3hcf n GLN 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3hcf n LEU 87 N -1.85 0.96 0.00 2.61 4.77 0.20 -4.71 117.00 118.99 3hcf n LEU 87 Ca 0.00 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 3hcf n LEU 87 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3hcf n LEU 87 CO 0.08 0.20 0.35 0.18 -1.33 0.00 0.00 177.39 176.87 3hcf n LEU 88 N -0.57 0.00 -0.24 2.23 4.77 -0.72 -0.08 117.00 122.39 3hcf n LEU 88 Ca 0.03 0.70 0.07 0.00 -0.03 0.00 0.00 56.01 56.78 3hcf n LEU 88 Cb 0.19 -0.20 0.32 0.00 -2.33 0.00 0.00 43.42 41.40 3hcf n LEU 88 CO 0.15 -0.20 1.23 0.28 -1.33 0.00 0.00 177.39 177.52 3hcf h SER 89 N 0.00 0.74 -0.36 -1.43 0.02 -1.88 -2.60 113.55 108.04 3hcf h SER 89 Ca 0.00 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3hcf h SER 89 Cb 0.00 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 3hcf h SER 89 CO 0.00 0.45 0.15 0.00 -1.14 0.00 0.00 176.83 176.29 3hcf h ALA 90 N 1.57 0.43 0.00 3.77 0.00 -1.68 -3.16 119.26 120.18 3hcf h ALA 90 Ca 0.37 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3hcf h ALA 90 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hcf h ALA 90 CO -0.14 -0.24 0.06 0.00 0.00 0.00 0.00 179.25 178.93 3hcf n SER 92 N -2.05 1.52 0.00 0.00 3.41 -1.20 -4.03 113.62 111.27 3hcf n SER 92 Ca -0.01 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 3hcf n SER 92 Cb 0.08 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3hcf n SER 92 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hcf n HIS 93 N 0.32 0.00 -3.87 7.33 8.25 0.02 -5.03 115.22 122.25 3hcf n HIS 93 Ca 0.10 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.35 3hcf n HIS 93 Cb 0.25 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.18 3hcf n HIS 93 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hcf s PHE 94 N -0.78 0.62 0.20 4.41 0.40 -1.25 -3.85 117.98 117.72 3hcf s PHE 94 Ca 0.00 -0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.25 3hcf s PHE 94 Cb 0.00 -0.71 0.09 0.00 0.51 0.00 0.00 43.02 42.90 3hcf s PHE 94 CO 0.00 -0.27 1.45 1.05 0.70 0.00 0.00 175.22 178.15 3hcf h GLU 95 N 7.97 0.09 -4.69 0.44 4.11 -1.64 -3.41 114.58 117.44 3hcf h GLU 95 Ca -0.26 -0.09 -0.69 0.00 0.07 0.00 0.00 59.36 58.39 3hcf h GLU 95 Cb 1.13 0.02 -0.31 0.00 0.50 0.00 0.00 28.75 30.10 3hcf h GLU 95 CO 0.33 0.84 -0.64 0.34 0.07 0.00 0.00 179.01 179.95 3hcf s ASP 96 N -6.85 5.14 -0.19 3.06 3.68 0.40 -4.66 116.67 117.27 3hcf s ASP 96 Ca -0.02 -1.29 0.01 0.00 2.13 0.00 0.00 52.55 53.39 3hcf s ASP 96 Cb 0.11 -1.80 0.02 0.00 -1.45 0.00 0.00 42.92 39.80 3hcf s ASP 96 CO 0.80 -0.32 -0.19 -0.63 0.13 0.00 0.00 175.17 174.96 3hcf s ILE 97 N 1.32 2.11 -0.19 4.11 1.01 -0.51 -0.62 121.20 128.42 3hcf s ILE 97 Ca -0.02 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 3hcf s ILE 97 Cb -0.20 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3hcf s ILE 97 CO 0.01 0.50 0.07 -0.89 0.00 0.00 0.00 174.94 174.63 3hcf s THR 98 N 1.28 4.82 0.22 2.92 2.01 0.76 -1.99 115.64 125.66 3hcf s THR 98 Ca 0.04 -0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.09 3hcf s THR 98 Cb -0.13 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 3hcf s THR 98 CO -0.12 0.44 0.09 -0.04 -0.69 0.00 0.00 174.62 174.30 3hcf s MET 99 N 0.54 2.66 0.01 4.92 -1.94 0.28 0.06 119.30 125.83 3hcf s MET 99 Ca 0.04 -1.11 -0.15 0.00 -1.71 0.00 0.00 55.69 52.76 3hcf s MET 99 Cb -0.13 -2.44 0.02 0.00 2.01 0.00 0.00 34.83 34.29 3hcf s MET 99 CO 0.01 0.42 0.32 0.95 -0.01 0.00 0.00 175.02 176.71 3hcf s THR 100 N -2.00 0.06 -0.04 2.05 -4.23 -0.95 0.73 115.64 111.26 3hcf s THR 100 Ca 0.31 -0.53 -0.29 0.00 -1.18 0.00 0.00 61.69 59.99 3hcf s THR 100 Cb -0.08 -0.74 0.09 0.00 1.34 0.00 0.00 72.50 73.11 3hcf s THR 100 CO 0.22 -0.29 0.80 -0.62 -0.54 0.00 0.00 174.62 174.19 3hcf s ASP 101 N -1.60 -0.50 0.35 3.99 2.15 -0.49 0.33 116.67 120.90 3hcf s ASP 101 Ca -0.10 0.38 0.09 0.00 0.43 0.00 0.00 52.55 53.34 3hcf s ASP 101 Cb -0.03 0.45 0.66 0.00 -0.30 0.00 0.00 42.92 43.69 3hcf s ASP 101 CO 0.02 -0.58 1.82 0.15 -0.17 0.00 0.00 175.17 176.40 3hcf h PHE 102 N 2.52 0.21 -2.98 -5.34 3.57 -1.86 -2.95 116.94 110.11 3hcf h PHE 102 Ca -0.24 -0.04 -0.61 0.00 3.53 0.00 0.00 57.97 60.60 3hcf h PHE 102 Cb 1.19 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.83 3hcf h PHE 102 CO 0.31 0.46 -0.31 -0.51 -2.23 0.00 0.00 178.31 176.02 3hcf s LEU 103 N -8.47 4.38 0.02 0.59 1.43 -1.26 -4.73 118.68 110.64 3hcf s LEU 103 Ca -0.05 0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 53.50 3hcf s LEU 103 Cb 0.14 -2.73 -0.16 0.00 0.03 0.00 0.00 46.19 43.47 3hcf s LEU 103 CO 0.74 0.25 1.26 -0.08 0.23 0.00 0.00 176.35 178.75 3hcf h GLU 104 N 4.07 -0.58 -1.17 1.70 4.57 -1.99 -2.56 114.58 118.62 3hcf h GLU 104 Ca -0.50 0.04 0.34 0.00 -1.18 0.00 0.00 59.36 58.05 3hcf h GLU 104 Cb 1.20 0.13 -0.10 0.00 -0.16 0.00 0.00 28.75 29.82 3hcf h GLU 104 CO 0.65 -0.28 0.77 -0.39 -1.18 0.00 0.00 179.01 178.58 3hcf h VAL 105 N -0.88 0.37 -0.00 0.32 -1.51 -1.97 0.22 116.25 112.79 3hcf h VAL 105 Ca -0.06 -0.08 -0.01 0.00 -1.23 0.00 0.00 66.70 65.32 3hcf h VAL 105 Cb 0.57 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.84 3hcf h VAL 105 CO 0.10 0.04 -0.03 0.78 -1.23 0.00 0.00 177.57 177.24 3hcf h ASN 106 N 0.23 0.03 -0.94 4.19 -0.26 -1.91 -1.45 115.58 115.47 3hcf h ASN 106 Ca 0.67 -0.74 0.26 0.00 -0.56 0.00 0.00 56.30 55.94 3hcf h ASN 106 Cb 2.00 -0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 39.20 3hcf h ASN 106 CO -0.30 0.76 0.66 0.03 -1.06 0.00 0.00 177.43 177.52 3hcf h ARG 107 N -0.70 0.10 -0.00 0.81 3.08 -0.34 0.51 114.38 117.84 3hcf h ARG 107 Ca -0.00 -0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.80 3hcf h ARG 107 Cb 0.76 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.80 3hcf h ARG 107 CO 0.01 0.07 -0.98 1.96 -1.07 0.00 0.00 179.97 179.95 3hcf h GLN 108 N 0.10 0.52 -0.27 0.04 4.20 -0.62 -2.02 115.11 117.06 3hcf h GLN 108 Ca 0.46 -0.56 -0.12 0.00 0.06 0.00 0.00 58.65 58.49 3hcf h GLN 108 Cb 1.66 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 29.59 3hcf h GLN 108 CO -0.06 1.19 -0.33 1.49 -0.67 0.00 0.00 178.83 180.45 3hcf h GLU 109 N 0.30 0.59 -0.35 1.46 4.57 0.14 -2.12 114.58 119.16 3hcf h GLU 109 Ca -0.10 -0.27 -0.04 0.00 -1.18 0.00 0.00 59.36 57.77 3hcf h GLU 109 Cb 1.62 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.19 3hcf h GLU 109 CO 0.18 0.84 0.05 -0.07 -1.18 0.00 0.00 179.01 178.83 3hcf h LEU 110 N 0.50 0.57 -0.57 1.64 3.38 -1.12 -2.97 115.31 116.73 3hcf h LEU 110 Ca 0.06 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.84 3hcf h LEU 110 Cb 0.81 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.31 3hcf h LEU 110 CO 0.07 0.69 -0.46 1.23 0.09 0.00 0.00 178.44 180.06 3hcf h GLY 111 N 0.43 -0.54 -0.15 0.83 0.00 -1.09 0.58 103.07 103.12 3hcf h GLY 111 Ca 0.11 0.59 0.25 0.00 0.00 0.00 0.00 47.33 48.28 3hcf h GLY 111 CO 0.01 -0.15 0.61 3.21 0.00 0.00 0.00 176.54 180.22 3hcf h ARG 112 N -0.24 0.54 0.10 4.80 3.08 -1.23 0.62 114.38 122.04 3hcf h ARG 112 Ca 0.17 -0.03 -0.29 0.00 0.07 0.00 0.00 59.98 59.89 3hcf h ARG 112 Cb 0.56 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3hcf h ARG 112 CO -0.69 0.36 -1.44 2.35 -1.07 0.00 0.00 179.97 179.48 3hcf h TRP 113 N 0.56 0.37 -0.24 3.04 7.01 -1.25 0.09 115.95 125.53 3hcf h TRP 113 Ca 0.64 -0.27 -0.06 0.00 2.11 0.00 0.00 58.89 61.31 3hcf h TRP 113 Cb 1.27 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.30 3hcf h TRP 113 CO -0.01 1.29 -0.10 -0.07 -2.79 0.00 0.00 178.44 176.77 3hcf h LEU 114 N 0.06 0.37 -3.13 0.65 3.38 0.26 -2.59 115.31 114.31 3hcf h LEU 114 Ca -0.20 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3hcf h LEU 114 Cb 1.98 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.63 3hcf h LEU 114 CO 0.16 0.51 0.00 0.00 0.09 0.00 0.00 178.44 179.20 3hcf n GLN 115 N -4.25 3.54 -2.37 1.13 1.13 0.10 -4.93 117.38 111.73 3hcf n GLN 115 Ca 0.00 -2.78 -0.09 0.00 -1.94 0.00 0.00 57.00 52.19 3hcf n GLN 115 Cb 0.28 -1.81 -0.01 0.00 0.11 0.00 0.00 30.24 28.82 3hcf n GLN 115 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3hcf n GLU 116 N 0.84 -2.36 -0.74 -1.09 1.02 -0.98 -4.92 120.64 112.41 3hcf n GLU 116 Ca 0.23 0.43 -0.30 0.00 -0.02 0.00 0.00 57.16 57.51 3hcf n GLU 116 Cb 0.83 -4.97 0.25 0.00 -0.02 0.00 0.00 31.44 27.54 3hcf n GLU 116 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3hcf s GLU 117 N -4.85 -1.64 0.16 3.49 2.02 -0.01 -4.97 118.70 112.91 3hcf s GLU 117 Ca 0.00 0.22 -0.30 0.00 0.02 0.00 0.00 54.97 54.91 3hcf s GLU 117 Cb 0.00 -1.52 -0.07 0.00 0.10 0.00 0.00 34.13 32.64 3hcf s GLU 117 CO 0.00 -4.05 1.08 -2.14 0.02 0.00 0.00 175.26 170.17 3hcf s PRO 118 N -5.06 4.61 0.00 0.39 0.02 -1.26 -3.62 135.00 130.07 3hcf s PRO 118 Ca 0.69 1.67 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3hcf s PRO 118 Cb -0.15 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.08 3hcf s PRO 118 CO 0.58 0.09 0.00 0.41 -0.33 0.00 0.00 177.00 177.76 3hcf n GLY 119 N 2.11 0.47 3.68 0.52 0.00 -1.26 -5.03 105.19 105.68 3hcf n GLY 119 Ca 0.03 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 3hcf n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hcf s ALA 120 N -2.00 1.41 0.61 4.61 0.00 -1.24 -4.98 121.76 120.17 3hcf s ALA 120 Ca 0.00 0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.18 3hcf s ALA 120 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3hcf s ALA 120 CO 0.00 -2.65 1.07 0.12 0.00 0.00 0.00 175.76 174.30 3hcf s PHE 121 N -2.71 2.93 -0.52 0.00 5.36 -1.26 -5.01 117.98 116.77 3hcf s PHE 121 Ca 0.65 1.51 -0.14 0.00 -0.96 0.00 0.00 56.93 58.00 3hcf s PHE 121 Cb -0.21 -3.03 0.13 0.00 -0.34 0.00 0.00 43.02 39.57 3hcf s PHE 121 CO 0.58 -1.23 0.45 1.21 -1.46 0.00 0.00 175.22 174.78 3hcf s ASN 122 N -2.83 6.04 0.00 6.13 2.47 -1.26 -4.88 114.94 120.61 3hcf s ASN 122 Ca 0.64 -1.83 0.25 0.00 0.42 0.00 0.00 52.86 52.34 3hcf s ASN 122 Cb -0.17 -2.15 0.96 0.00 -1.45 0.00 0.00 41.25 38.45 3hcf s ASN 122 CO 0.39 -0.81 1.68 0.79 -3.72 0.00 0.00 177.10 175.44 3hcf n TRP 123 N 5.14 0.09 -0.28 0.43 7.02 -1.26 -4.53 117.44 124.04 3hcf n TRP 123 Ca -0.12 -0.04 0.07 0.00 -1.02 0.00 0.00 57.50 56.39 3hcf n TRP 123 Cb 0.40 0.00 0.22 0.00 -2.42 0.00 0.00 31.31 29.51 3hcf n TRP 123 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3hcf h SER 124 N 2.16 0.39 -0.68 -0.99 4.64 -1.99 0.95 113.55 118.02 3hcf h SER 124 Ca 0.00 0.11 0.12 0.00 -0.47 0.00 0.00 61.79 61.55 3hcf h SER 124 Cb 0.46 0.06 -0.08 0.00 -0.31 0.00 0.00 62.40 62.53 3hcf h SER 124 CO 0.00 0.14 0.25 -0.03 -0.87 0.00 0.00 176.83 176.32 3hcf h MET 125 N 0.51 0.41 -0.09 4.77 1.85 -1.98 0.18 114.93 120.57 3hcf h MET 125 Ca 0.46 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.51 3hcf h MET 125 Cb 0.70 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.64 3hcf h MET 125 CO -0.41 0.27 0.01 1.88 -0.40 0.00 0.00 176.91 178.27 3hcf h TYR 126 N 0.42 0.16 -0.42 1.39 -1.99 0.56 -1.05 116.97 116.04 3hcf h TYR 126 Ca 0.36 -0.02 0.08 0.00 2.00 0.00 0.00 58.73 61.14 3hcf h TYR 126 Cb 0.50 -0.04 -0.07 0.00 2.00 0.00 0.00 36.73 39.12 3hcf h TYR 126 CO -0.18 0.36 0.02 0.77 -0.00 0.00 0.00 178.16 179.14 3hcf h SER 127 N -0.08 -0.12 -0.25 3.88 0.02 -0.66 0.04 113.55 116.37 3hcf h SER 127 Ca 0.03 0.09 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 3hcf h SER 127 Cb 0.28 0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.90 3hcf h SER 127 CO 0.00 -0.03 -0.47 1.56 -1.14 0.00 0.00 176.83 176.75 3hcf h GLN 128 N 0.14 -0.44 -0.09 3.45 4.20 -0.47 -0.97 115.11 120.93 3hcf h GLN 128 Ca 0.21 0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.88 3hcf h GLN 128 Cb 0.29 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3hcf h GLN 128 CO -0.33 -0.29 -0.25 0.45 -0.67 0.00 0.00 178.83 177.74 3hcf h HIS 129 N -0.45 0.17 -0.17 2.96 3.86 -0.34 0.24 115.15 121.41 3hcf h HIS 129 Ca 0.08 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3hcf h HIS 129 Cb 0.63 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 3hcf h HIS 129 CO -0.59 0.40 0.10 0.00 0.86 0.00 0.00 177.93 178.71 3hcf h ALA 130 N 1.60 0.21 -0.48 2.45 0.00 -0.49 0.30 119.26 122.85 3hcf h ALA 130 Ca 0.02 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3hcf h ALA 130 Cb 0.53 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3hcf h ALA 130 CO 0.04 -0.32 0.25 0.00 0.00 0.00 0.00 179.25 179.22 3hcf h LEU 132 N 0.50 -0.06 -0.31 0.00 5.85 -0.10 -2.21 115.31 118.99 3hcf h LEU 132 Ca 0.20 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 3hcf h LEU 132 Cb 0.09 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3hcf h LEU 132 CO -0.13 -0.01 -0.06 0.40 -0.34 0.00 0.00 178.44 178.30 3hcf h ILE 133 N 0.03 1.28 0.00 4.05 2.04 -0.04 -2.85 117.51 122.02 3hcf h ILE 133 Ca 0.06 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 3hcf h ILE 133 Cb 0.07 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3hcf h ILE 133 CO -0.10 0.35 -0.05 -0.33 0.00 0.00 0.00 178.15 178.01 3hcf h GLU 134 N 0.36 0.00 -6.37 2.37 5.08 -0.74 -3.47 114.58 111.80 3hcf h GLU 134 Ca 0.08 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.97 3hcf h GLU 134 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3hcf h GLU 134 CO 0.03 0.05 -0.87 0.41 -1.00 0.00 0.00 179.01 177.63 3hcf n GLY 135 N -0.44 -0.27 0.23 -3.84 0.00 -0.84 -4.86 105.19 95.17 3hcf n GLY 135 Ca -0.01 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.23 3hcf n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hcf n LYS 136 N -4.36 2.11 -1.20 1.61 5.02 -1.26 -4.97 118.16 115.11 3hcf n LYS 136 Ca -0.30 -2.31 -0.07 0.00 -2.02 0.00 0.00 58.31 53.61 3hcf n LYS 136 Cb 0.68 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 34.25 3hcf n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hcf n GLY 137 N -0.90 0.72 3.77 0.72 0.00 -1.26 -4.96 105.19 103.28 3hcf n GLY 137 Ca 0.12 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3hcf n GLY 137 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hcf s GLU 138 N -2.37 4.38 0.40 1.61 2.12 -1.26 -5.02 118.70 118.56 3hcf s GLU 138 Ca 0.00 2.18 -0.15 0.00 0.36 0.00 0.00 54.97 57.35 3hcf s GLU 138 Cb 0.00 -3.08 -0.09 0.00 0.26 0.00 0.00 34.13 31.22 3hcf s GLU 138 CO 0.00 -0.15 0.83 0.00 -0.54 0.00 0.00 175.26 175.40 3hcf h TRP 140 N 1.69 0.00 -0.47 0.00 5.08 -1.92 -1.75 115.95 118.58 3hcf h TRP 140 Ca -0.48 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.41 3hcf h TRP 140 Cb 1.18 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.32 3hcf h TRP 140 CO 0.62 0.35 -0.03 1.96 -1.28 0.00 0.00 178.44 180.06 3hcf h GLN 141 N 0.00 0.80 -0.82 0.12 7.50 -1.96 -0.95 115.11 119.80 3hcf h GLN 141 Ca -0.00 -0.23 -0.01 0.00 0.50 0.00 0.00 58.65 58.91 3hcf h GLN 141 Cb 0.69 -0.09 -0.04 0.00 0.05 0.00 0.00 27.48 28.09 3hcf h GLN 141 CO 0.04 0.82 0.48 -0.44 -1.50 0.00 0.00 178.83 178.24 3hcf h ASP 142 N 0.74 0.99 0.65 1.46 5.19 -1.73 0.24 116.42 123.96 3hcf h ASP 142 Ca 0.14 -0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 3hcf h ASP 142 Cb 0.49 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 39.75 3hcf h ASP 142 CO 0.02 0.76 -0.31 0.50 -3.12 0.00 0.00 179.24 177.10 3hcf h LYS 143 N 1.13 -0.84 -0.66 3.56 1.63 -1.01 -0.60 116.57 119.78 3hcf h LYS 143 Ca 0.29 0.06 0.11 0.00 -0.85 0.00 0.00 60.65 60.26 3hcf h LYS 143 Cb -0.03 0.19 -0.08 0.00 -0.60 0.00 0.00 32.23 31.71 3hcf h LYS 143 CO -0.05 -0.53 0.24 0.93 -3.45 0.00 0.00 179.45 176.59 3hcf h GLU 144 N -1.15 0.39 -0.93 1.90 5.08 -1.18 -0.15 114.58 118.55 3hcf h GLU 144 Ca -0.09 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.36 3hcf h GLU 144 Cb 0.70 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 3hcf h GLU 144 CO 0.15 0.26 0.55 -0.09 -1.00 0.00 0.00 179.01 178.88 3hcf h ARG 145 N 0.41 0.85 -0.24 2.33 2.43 -0.79 -0.17 114.38 119.19 3hcf h ARG 145 Ca 0.34 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.28 3hcf h ARG 145 Cb 0.47 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3hcf h ARG 145 CO -0.35 0.56 -0.58 0.37 -1.51 0.00 0.00 179.97 178.46 3hcf h GLN 146 N 0.87 0.78 0.44 0.20 4.15 0.56 -2.49 115.11 119.61 3hcf h GLN 146 Ca 0.46 -0.51 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 3hcf h GLN 146 Cb 0.48 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3hcf h GLN 146 CO -0.28 1.14 -0.21 1.25 -1.93 0.00 0.00 178.83 178.80 3hcf h LEU 147 N 0.59 -0.50 -0.95 -2.39 5.85 0.15 -1.05 115.31 117.00 3hcf h LEU 147 Ca 0.00 0.02 0.30 0.00 0.84 0.00 0.00 57.88 59.04 3hcf h LEU 147 Cb 1.17 0.13 -0.16 0.00 0.37 0.00 0.00 40.66 42.17 3hcf h LEU 147 CO 0.12 -0.35 0.34 0.03 -0.34 0.00 0.00 178.44 178.24 3hcf h ARG 148 N -0.60 0.16 -0.66 1.25 3.08 -1.18 0.24 114.38 116.67 3hcf h ARG 148 Ca -0.06 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 3hcf h ARG 148 Cb 0.45 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3hcf h ARG 148 CO 0.10 0.10 0.12 0.00 -1.07 0.00 0.00 179.97 179.22 3hcf h ALA 149 N 1.88 0.87 0.00 0.04 0.00 -1.31 -3.11 119.26 117.63 3hcf h ALA 149 Ca 0.66 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3hcf h ALA 149 Cb 1.49 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hcf h ALA 149 CO -0.72 0.63 -0.57 0.00 0.00 0.00 0.00 179.25 178.59 3hcf h ARG 150 N 1.00 0.00 -6.40 0.00 3.08 0.74 -3.42 114.38 109.38 3hcf h ARG 150 Ca 0.20 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.71 3hcf h ARG 150 Cb 0.42 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.39 3hcf h ARG 150 CO 0.01 0.00 1.03 0.08 -1.07 0.00 0.00 179.97 180.02 3hcf s VAL 151 N -3.17 3.81 0.03 2.04 1.01 -0.06 -1.42 120.40 122.63 3hcf s VAL 151 Ca 0.06 0.53 -0.17 0.00 0.00 0.00 0.00 61.98 62.41 3hcf s VAL 151 Cb 0.13 -4.86 -0.32 0.00 0.00 0.00 0.00 36.38 31.33 3hcf s VAL 151 CO 0.71 -1.72 1.03 0.11 0.00 0.00 0.00 175.10 175.24 3hcf h LYS 152 N 9.89 0.54 -2.88 2.72 1.79 -1.66 -3.48 116.57 123.50 3hcf h LYS 152 Ca -0.27 -0.81 -0.13 0.00 -2.18 0.00 0.00 60.65 57.26 3hcf h LYS 152 Cb 1.05 0.28 -0.23 0.00 -1.58 0.00 0.00 32.23 31.76 3hcf h LYS 152 CO 1.25 1.38 -0.27 -0.98 -1.08 0.00 0.00 179.45 179.75 3hcf s ARG 153 N -2.77 0.52 -0.29 3.15 1.70 -1.25 -5.08 118.95 114.92 3hcf s ARG 153 Ca -0.10 0.29 -0.06 0.00 -0.47 0.00 0.00 55.73 55.39 3hcf s ARG 153 Cb 0.04 0.24 0.01 0.00 -0.57 0.00 0.00 34.95 34.68 3hcf s ARG 153 CO 0.92 -0.10 0.06 0.08 -1.08 0.00 0.00 175.30 175.18 3hcf s VAL 154 N -0.31 3.81 0.05 4.99 1.01 -1.26 -0.55 120.40 128.13 3hcf s VAL 154 Ca -0.05 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.26 3hcf s VAL 154 Cb -0.03 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 3hcf s VAL 154 CO 0.02 0.10 -0.18 -0.76 0.00 0.00 0.00 175.10 174.28 3hcf s LEU 155 N 1.47 2.63 0.52 3.92 1.43 0.22 -4.95 118.68 123.93 3hcf s LEU 155 Ca 0.02 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 52.49 3hcf s LEU 155 Cb -0.17 -1.53 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 3hcf s LEU 155 CO 0.01 0.25 1.16 -2.16 0.23 0.00 0.00 176.35 175.85 3hcf s PRO 156 N -1.49 3.44 -0.13 1.29 0.04 -1.26 -1.39 135.00 135.49 3hcf s PRO 156 Ca 0.15 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.74 3hcf s PRO 156 Cb -0.11 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.33 3hcf s PRO 156 CO 0.06 -0.81 0.47 -1.50 0.04 0.00 0.00 177.00 175.26 3hcf s ILE 157 N -1.65 0.01 -0.21 0.56 2.07 -1.12 -4.78 121.20 116.09 3hcf s ILE 157 Ca 0.70 -0.09 -0.02 0.00 -1.41 0.00 0.00 60.65 59.83 3hcf s ILE 157 Cb -0.27 -0.69 0.06 0.00 0.13 0.00 0.00 42.46 41.69 3hcf s ILE 157 CO 0.31 -0.05 0.01 -0.62 -1.91 0.00 0.00 174.94 172.68 3hcf s ASP 158 N -0.19 3.20 0.16 4.50 -1.08 -0.71 -3.21 116.67 119.33 3hcf s ASP 158 Ca -0.04 -0.93 0.19 0.00 -0.52 0.00 0.00 52.55 51.25 3hcf s ASP 158 Cb -0.03 -0.77 0.82 0.00 -1.46 0.00 0.00 42.92 41.48 3hcf s ASP 158 CO 0.02 -0.29 1.59 1.33 0.52 0.00 0.00 175.17 178.35 3hcf n VAL 159 N 4.94 0.95 0.17 1.11 0.24 -1.26 -1.75 118.33 122.73 3hcf n VAL 159 Ca -0.10 0.28 0.05 0.00 -2.04 0.00 0.00 64.34 62.53 3hcf n VAL 159 Cb 0.46 -1.15 0.22 0.00 -1.47 0.00 0.00 33.84 31.91 3hcf n VAL 159 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 3hcf h HIS 160 N 0.00 0.00 -3.95 6.34 3.86 -1.94 -3.40 115.15 116.05 3hcf h HIS 160 Ca 0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 3hcf h HIS 160 Cb 0.29 0.00 0.06 0.00 1.06 0.00 0.00 27.41 28.82 3hcf h HIS 160 CO 0.00 0.39 0.53 -0.65 0.86 0.00 0.00 177.93 179.06 3hcf s GLN 161 N -3.32 4.00 0.49 2.45 -1.52 -0.72 -4.95 119.66 116.10 3hcf s GLN 161 Ca 0.02 1.90 0.29 0.00 -1.95 0.00 0.00 55.36 55.62 3hcf s GLN 161 Cb 0.09 -2.66 1.00 0.00 -0.22 0.00 0.00 33.01 31.21 3hcf s GLN 161 CO 0.70 -0.38 1.85 -1.35 -0.25 0.00 0.00 175.29 175.85 3hcf h PRO 162 N 2.58 0.00 -3.17 2.91 0.11 -1.87 -3.22 132.00 129.35 3hcf h PRO 162 Ca -0.49 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 64.99 3hcf h PRO 162 Cb 1.24 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.94 3hcf h PRO 162 CO 0.62 0.07 -0.63 -0.65 -0.21 0.00 0.00 178.00 177.20 3hcf s GLN 163 N -3.54 2.07 0.39 1.05 -0.21 -1.26 -4.89 119.66 113.26 3hcf s GLN 163 Ca 0.02 -2.85 0.28 0.00 0.02 0.00 0.00 55.36 52.83 3hcf s GLN 163 Cb 0.08 -3.18 1.31 0.00 1.00 0.00 0.00 33.01 32.22 3hcf s GLN 163 CO 0.60 -1.20 1.84 -1.35 -2.12 0.00 0.00 175.29 173.05 3hcf h PRO 164 N 6.02 0.00 0.00 2.91 0.11 -1.75 0.15 132.00 139.43 3hcf h PRO 164 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3hcf h PRO 164 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3hcf h PRO 164 CO 0.67 0.00 -1.04 1.28 -0.21 0.00 0.00 178.00 178.70 3hcf n LEU 165 N -2.51 0.62 0.00 2.35 4.77 -1.26 -1.74 117.00 119.23 3hcf n LEU 165 Ca 0.00 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3hcf n LEU 165 Cb 0.16 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3hcf n LEU 165 CO 0.18 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 3hcf n GLY 166 N 1.33 -1.03 0.00 -0.72 0.00 0.53 -4.77 105.19 100.52 3hcf n GLY 166 Ca 0.01 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3hcf n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hcf n ALA 167 N -0.35 0.00 -2.71 4.61 0.00 -1.26 -4.66 120.51 116.14 3hcf n ALA 167 Ca 0.00 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 3hcf n ALA 167 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hcf n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hcf n GLY 168 N 2.26 4.57 3.80 0.00 0.00 -1.26 -5.00 105.19 109.56 3hcf n GLY 168 Ca 0.00 -2.27 -0.38 0.00 0.00 0.00 0.00 46.02 43.37 3hcf n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hcf s SER 169 N 0.57 7.19 0.00 1.61 1.04 -1.26 -4.94 113.70 117.91 3hcf s SER 169 Ca 0.37 1.49 0.10 0.00 0.48 0.00 0.00 55.95 58.39 3hcf s SER 169 Cb 0.04 -2.44 0.50 0.00 0.10 0.00 0.00 66.02 64.22 3hcf s SER 169 CO 0.02 0.12 1.21 -2.65 0.98 0.00 0.00 173.24 172.92 3hcf n PRO 170 N 1.16 0.14 -2.71 4.02 -0.02 -1.26 -4.72 135.00 131.60 3hcf n PRO 170 Ca -0.04 0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 61.20 3hcf n PRO 170 Cb 0.50 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 3hcf n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hcf s ALA 171 N -2.57 3.47 -0.22 3.55 0.00 -1.26 -4.95 121.76 119.77 3hcf s ALA 171 Ca 0.09 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 3hcf s ALA 171 Cb 0.07 -3.61 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 3hcf s ALA 171 CO 0.15 -1.51 2.19 -2.30 0.00 0.00 0.00 175.76 174.29 3hcf n PRO 172 N 6.82 1.85 -4.30 0.00 -0.02 -1.26 -4.95 135.00 133.14 3hcf n PRO 172 Ca 0.10 0.53 -0.30 0.00 -2.02 0.00 0.00 63.50 61.81 3hcf n PRO 172 Cb 0.47 -3.05 -0.10 0.00 -0.02 0.00 0.00 33.50 30.80 3hcf n PRO 172 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hcf s LEU 173 N 7.72 2.95 0.16 2.45 1.43 -1.26 -3.71 118.68 128.43 3hcf s LEU 173 Ca 1.02 -0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 53.56 3hcf s LEU 173 Cb -0.46 -1.75 -0.07 0.00 0.03 0.00 0.00 46.19 43.93 3hcf s LEU 173 CO 0.39 0.19 0.58 -2.16 0.23 0.00 0.00 176.35 175.59 3hcf s PRO 174 N -2.05 4.04 0.54 1.29 0.04 -1.26 -5.12 135.00 132.47 3hcf s PRO 174 Ca 0.20 0.57 -0.21 0.00 0.04 0.00 0.00 61.00 61.59 3hcf s PRO 174 Cb -0.11 -2.93 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 3hcf s PRO 174 CO 0.12 0.47 1.24 0.00 0.04 0.00 0.00 177.00 178.86 3hcf n ALA 175 N 0.82 1.13 0.70 8.56 0.00 -0.64 -4.50 120.51 126.58 3hcf n ALA 175 Ca -0.05 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.64 3hcf n ALA 175 Cb 0.52 -2.27 0.47 0.00 0.00 0.00 0.00 19.45 18.16 3hcf n ALA 175 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hcf n ASP 176 N -0.75 0.55 -3.56 0.00 10.43 -0.93 -1.43 116.55 120.86 3hcf n ASP 176 Ca 0.11 0.56 -0.08 0.00 2.57 0.00 0.00 54.79 57.95 3hcf n ASP 176 Cb 0.44 -0.71 -0.04 0.00 1.84 0.00 0.00 41.12 42.66 3hcf n ASP 176 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hcf s ALA 177 N -3.09 -1.94 -0.03 2.24 0.00 -1.21 -2.92 121.76 114.81 3hcf s ALA 177 Ca 0.11 1.46 0.06 0.00 0.00 0.00 0.00 51.96 53.59 3hcf s ALA 177 Cb 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 3hcf s ALA 177 CO 0.55 -0.44 -0.23 -0.51 0.00 0.00 0.00 175.76 175.12 3hcf s LEU 178 N -1.61 2.03 -0.04 0.00 1.43 0.16 -2.05 118.68 118.59 3hcf s LEU 178 Ca 0.02 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 52.75 3hcf s LEU 178 Cb -0.01 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 3hcf s LEU 178 CO -0.03 0.26 -0.24 -0.69 0.23 0.00 0.00 176.35 175.88 3hcf s VAL 179 N -0.36 1.92 -0.18 -1.59 1.01 -0.61 -0.38 120.40 120.21 3hcf s VAL 179 Ca 0.04 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 3hcf s VAL 179 Cb -0.11 -1.62 0.07 0.00 0.00 0.00 0.00 36.38 34.73 3hcf s VAL 179 CO 0.01 0.54 0.41 -0.55 0.00 0.00 0.00 175.10 175.51 3hcf s SER 180 N -0.25 -0.40 -0.13 3.32 0.15 -0.47 -0.70 113.70 115.23 3hcf s SER 180 Ca 0.00 0.92 0.02 0.00 0.70 0.00 0.00 55.95 57.59 3hcf s SER 180 Cb -0.12 0.98 0.01 0.00 -1.71 0.00 0.00 66.02 65.18 3hcf s SER 180 CO 0.02 -0.21 -0.19 0.00 1.20 0.00 0.00 173.24 174.07 3hcf s ALA 181 N 1.87 2.00 -1.53 5.45 0.00 -1.25 -0.10 121.76 128.19 3hcf s ALA 181 Ca -0.06 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 3hcf s ALA 181 Cb -0.10 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.08 3hcf s ALA 181 CO -0.13 -0.10 0.21 1.19 0.00 0.00 0.00 175.76 176.94 3hcf n PHE 182 N 4.22 -1.42 0.00 0.00 3.01 0.26 -4.91 117.46 118.61 3hcf n PHE 182 Ca -0.19 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3hcf n PHE 182 Cb 0.51 -3.79 0.00 0.00 -0.01 0.00 0.00 39.48 36.19 3hcf n PHE 182 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hcf n LEU 184 N -1.66 -0.23 0.07 0.00 4.77 -1.26 0.21 117.00 118.91 3hcf n LEU 184 Ca 0.00 0.89 0.06 0.00 -0.03 0.00 0.00 56.01 56.93 3hcf n LEU 184 Cb 0.00 -0.30 0.30 0.00 -2.33 0.00 0.00 43.42 41.09 3hcf n LEU 184 CO 0.00 -0.57 0.68 -1.84 -1.33 0.00 0.00 177.39 174.34 3hcf n GLU 185 N -3.37 0.07 0.00 3.23 0.00 -1.26 -1.04 120.64 118.27 3hcf n GLU 185 Ca 0.00 0.52 0.09 0.00 0.00 0.00 0.00 57.16 57.78 3hcf n GLU 185 Cb 0.06 -1.71 0.04 0.00 0.00 0.00 0.00 31.44 29.83 3hcf n GLU 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hcf n ALA 186 N -1.63 2.83 0.19 -1.84 0.00 0.57 -2.01 120.51 118.63 3hcf n ALA 186 Ca -0.00 -0.62 0.04 0.00 0.00 0.00 0.00 53.44 52.86 3hcf n ALA 186 Cb 0.05 -0.64 0.06 0.00 0.00 0.00 0.00 19.45 18.91 3hcf n ALA 186 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hcf n VAL 187 N 0.57 0.33 -4.59 0.00 0.24 -0.20 -4.83 118.33 109.85 3hcf n VAL 187 Ca 0.10 -0.66 -0.33 0.00 -2.04 0.00 0.00 64.34 61.40 3hcf n VAL 187 Cb 0.44 0.95 -0.15 0.00 -1.47 0.00 0.00 33.84 33.61 3hcf n VAL 187 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3hcf s SER 188 N -0.79 3.74 0.45 -1.34 0.01 -1.06 -4.95 113.70 109.77 3hcf s SER 188 Ca 0.12 -0.44 0.31 0.00 1.31 0.00 0.00 55.95 57.25 3hcf s SER 188 Cb 0.08 -1.57 1.37 0.00 0.21 0.00 0.00 66.02 66.10 3hcf s SER 188 CO 0.11 0.10 1.92 1.55 0.41 0.00 0.00 173.24 177.33 3hcf h PRO 189 N 7.18 0.00 -2.84 12.44 0.13 -1.91 -3.29 132.00 143.71 3hcf h PRO 189 Ca -0.31 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.88 3hcf h PRO 189 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3hcf h PRO 189 CO 0.56 0.00 0.35 0.16 -0.23 0.00 0.00 178.00 178.85 3hcf s ASP 190 N -5.03 -0.06 0.13 1.44 1.47 -1.26 -4.81 116.67 108.56 3hcf s ASP 190 Ca 0.01 -0.88 -0.19 0.00 1.18 0.00 0.00 52.55 52.67 3hcf s ASP 190 Cb 0.09 0.72 -0.01 0.00 -0.34 0.00 0.00 42.92 43.39 3hcf s ASP 190 CO 0.45 -1.41 1.70 0.25 0.68 0.00 0.00 175.17 176.85 3hcf h LEU 191 N 2.00 -0.18 -0.69 2.11 6.46 -1.96 -1.02 115.31 122.04 3hcf h LEU 191 Ca -0.28 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.52 3hcf h LEU 191 Cb 1.24 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.27 3hcf h LEU 191 CO 0.35 -0.06 0.32 0.00 -0.62 0.00 0.00 178.44 178.43 3hcf h ALA 192 N 1.22 0.89 -0.43 1.25 0.00 -1.98 -0.11 119.26 120.11 3hcf h ALA 192 Ca 0.11 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3hcf h ALA 192 Cb 0.16 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3hcf h ALA 192 CO -0.22 0.46 0.20 1.03 0.00 0.00 0.00 179.25 180.72 3hcf h SER 193 N 0.96 0.28 -0.70 0.00 0.87 -1.88 0.20 113.55 113.29 3hcf h SER 193 Ca 0.23 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.88 3hcf h SER 193 Cb 0.14 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 3hcf h SER 193 CO -0.03 0.20 0.39 0.15 -0.53 0.00 0.00 176.83 177.02 3hcf h PHE 194 N 0.41 0.72 -0.24 2.24 3.57 -0.84 -1.70 116.94 121.09 3hcf h PHE 194 Ca 0.19 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.62 3hcf h PHE 194 Cb 0.11 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3hcf h PHE 194 CO -0.11 0.34 -0.26 0.37 -2.23 0.00 0.00 178.31 176.42 3hcf h GLN 195 N 0.71 0.47 0.01 1.11 5.75 0.87 -1.94 115.11 122.09 3hcf h GLN 195 Ca 0.32 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3hcf h GLN 195 Cb 0.21 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.73 3hcf h GLN 195 CO -0.19 0.69 -0.00 0.00 -2.65 0.00 0.00 178.83 176.68 3hcf h ARG 196 N 0.41 -0.01 -0.91 1.69 3.08 -0.21 -2.72 114.38 115.73 3hcf h ARG 196 Ca 0.06 0.00 0.25 0.00 0.07 0.00 0.00 59.98 60.36 3hcf h ARG 196 Cb 0.67 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.58 3hcf h ARG 196 CO 0.05 0.52 0.29 0.00 -1.07 0.00 0.00 179.97 179.76 3hcf h ALA 197 N 0.45 1.40 -0.54 0.04 0.00 -1.17 0.15 119.26 119.59 3hcf h ALA 197 Ca -0.00 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3hcf h ALA 197 Cb 0.53 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3hcf h ALA 197 CO 0.00 -0.49 0.25 1.25 0.00 0.00 0.00 179.25 180.26 3hcf h LEU 198 N 0.22 0.72 -0.41 0.00 5.85 -1.24 -1.30 115.31 119.14 3hcf h LEU 198 Ca 0.59 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 59.24 3hcf h LEU 198 Cb 1.23 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 3hcf h LEU 198 CO -0.66 0.65 0.07 0.44 -0.34 0.00 0.00 178.44 178.61 3hcf h ASP 199 N 0.73 -0.01 0.31 1.25 3.32 -0.50 -0.99 116.42 120.53 3hcf h ASP 199 Ca 0.18 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3hcf h ASP 199 Cb 0.13 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3hcf h ASP 199 CO -0.02 0.03 -0.44 0.45 -1.72 0.00 0.00 179.24 177.54 3hcf h HIS 200 N 0.20 -1.22 -0.75 4.55 3.86 0.05 -2.39 115.15 119.45 3hcf h HIS 200 Ca 0.20 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.39 3hcf h HIS 200 Cb 0.25 0.49 -0.03 0.00 1.06 0.00 0.00 27.41 29.18 3hcf h HIS 200 CO -0.21 -0.57 0.32 -0.84 0.86 0.00 0.00 177.93 177.48 3hcf h ILE 201 N -0.80 1.25 -0.39 2.45 3.07 -1.23 -1.89 117.51 119.96 3hcf h ILE 201 Ca -0.02 -0.75 0.11 0.00 1.55 0.00 0.00 64.86 65.76 3hcf h ILE 201 Cb 0.75 0.33 -0.02 0.00 -0.27 0.00 0.00 36.82 37.62 3hcf h ILE 201 CO -0.14 0.31 0.43 0.74 -1.05 0.00 0.00 178.15 178.44 3hcf h THR 202 N 1.08 0.38 0.00 0.16 2.02 -0.68 0.41 112.91 116.27 3hcf h THR 202 Ca 0.25 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 3hcf h THR 202 Cb 0.17 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3hcf h THR 202 CO -0.02 0.00 -0.03 0.74 0.37 0.00 0.00 175.52 176.57 3hcf h THR 203 N 0.00 0.97 0.00 3.16 2.02 -0.99 -2.21 112.91 115.86 3hcf h THR 203 Ca 0.19 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3hcf h THR 203 Cb 1.05 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 3hcf h THR 203 CO -0.00 0.03 0.00 0.18 0.37 0.00 0.00 175.52 176.10 3hcf n LEU 204 N -4.43 0.74 -4.47 2.58 4.77 0.14 -4.77 117.00 111.56 3hcf n LEU 204 Ca -0.03 0.58 -0.43 0.00 -0.03 0.00 0.00 56.01 56.10 3hcf n LEU 204 Cb 0.12 -0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 40.75 3hcf n LEU 204 CO 0.34 -0.20 -0.02 -0.22 -1.33 0.00 0.00 177.39 175.95 3hcf s LEU 205 N -4.40 4.99 0.16 2.23 2.96 -0.83 -1.62 118.68 122.16 3hcf s LEU 205 Ca 0.10 -0.79 -0.31 0.00 -0.22 0.00 0.00 54.13 52.91 3hcf s LEU 205 Cb 0.13 -2.22 -0.17 0.00 0.50 0.00 0.00 46.19 44.42 3hcf s LEU 205 CO 0.57 -0.47 0.71 -1.14 -1.32 0.00 0.00 176.35 174.71 3hcf n ARG 206 N 5.28 0.14 -1.86 1.98 0.63 -0.51 -4.84 116.66 117.48 3hcf n ARG 206 Ca -0.10 0.05 -0.42 0.00 -0.92 0.00 0.00 57.85 56.46 3hcf n ARG 206 Cb 0.47 -1.22 -0.02 0.00 0.45 0.00 0.00 32.46 32.14 3hcf n ARG 206 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3hcf s PRO 207 N -0.76 4.18 0.00 -0.14 0.02 -1.26 -1.18 135.00 135.86 3hcf s PRO 207 Ca 0.71 2.46 0.00 0.00 0.02 0.00 0.00 61.00 64.19 3hcf s PRO 207 Cb -0.99 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 30.44 3hcf s PRO 207 CO 0.56 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 3hcf n GLY 208 N 2.96 1.16 3.82 0.52 0.00 -0.42 -5.03 105.19 108.20 3hcf n GLY 208 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3hcf n GLY 208 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hcf s GLY 209 N -2.05 1.73 -0.02 -0.02 0.00 -0.32 -4.75 107.32 101.88 3hcf s GLY 209 Ca 0.00 -1.18 0.06 0.00 0.00 0.00 0.00 44.72 43.60 3hcf s GLY 209 CO 0.00 -0.35 -0.21 0.30 0.00 0.00 0.00 173.10 172.85 3hcf s HIS 210 N -3.63 1.89 -0.12 1.90 3.76 -1.15 -2.18 115.29 115.77 3hcf s HIS 210 Ca 0.74 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 55.28 3hcf s HIS 210 Cb -0.05 -1.23 0.01 0.00 1.11 0.00 0.00 32.58 32.42 3hcf s HIS 210 CO 0.54 -0.07 -0.22 -1.17 -0.85 0.00 0.00 174.74 172.97 3hcf s LEU 211 N -0.38 2.06 -0.27 0.89 2.96 0.13 0.35 118.68 124.41 3hcf s LEU 211 Ca 0.05 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 3hcf s LEU 211 Cb -0.09 -1.38 0.03 0.00 0.50 0.00 0.00 46.19 45.24 3hcf s LEU 211 CO 0.00 0.11 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.38 3hcf s LEU 212 N 0.60 3.53 -0.13 -0.68 1.43 0.49 -0.77 118.68 123.15 3hcf s LEU 212 Ca -0.13 -0.90 0.03 0.00 -1.03 0.00 0.00 54.13 52.10 3hcf s LEU 212 Cb -0.17 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.32 3hcf s LEU 212 CO 0.03 -0.17 -0.22 -0.22 0.23 0.00 0.00 176.35 176.00 3hcf s LEU 213 N 1.37 2.14 -0.07 1.79 2.96 0.26 -1.36 118.68 125.77 3hcf s LEU 213 Ca -0.00 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.37 3hcf s LEU 213 Cb -0.17 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 45.07 3hcf s LEU 213 CO -0.02 0.10 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.29 3hcf s ILE 214 N 0.70 1.65 0.35 6.68 1.01 0.85 0.07 121.20 132.52 3hcf s ILE 214 Ca -0.10 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 3hcf s ILE 214 Cb -0.16 -1.43 0.03 0.00 0.01 0.00 0.00 42.46 40.91 3hcf s ILE 214 CO 0.01 0.47 0.67 -0.83 0.00 0.00 0.00 174.94 175.25 3hcf s GLY 215 N 0.27 0.66 0.40 6.18 0.00 -0.79 0.91 107.32 114.95 3hcf s GLY 215 Ca -0.12 -0.94 -0.12 0.00 0.00 0.00 0.00 44.72 43.55 3hcf s GLY 215 CO 0.05 -0.51 0.78 0.00 0.00 0.00 0.00 173.10 173.42 3hcf s ALA 216 N -2.80 3.32 -0.14 3.20 0.00 -1.26 -0.53 121.76 123.55 3hcf s ALA 216 Ca 0.20 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.03 3hcf s ALA 216 Cb -0.04 -2.74 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 3hcf s ALA 216 CO 0.13 0.02 -0.16 -0.51 0.00 0.00 0.00 175.76 175.24 3hcf s LEU 217 N -3.74 2.49 -1.56 0.00 1.43 -0.04 -4.64 118.68 112.62 3hcf s LEU 217 Ca 0.52 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 53.04 3hcf s LEU 217 Cb -0.10 -1.55 0.11 0.00 0.03 0.00 0.00 46.19 44.68 3hcf s LEU 217 CO 0.29 0.13 0.82 -0.62 0.23 0.00 0.00 176.35 177.20 3hcf n GLU 218 N 3.77 -4.21 -3.57 1.70 -0.58 0.20 -2.73 120.64 115.22 3hcf n GLU 218 Ca -0.19 0.49 -0.35 0.00 -0.42 0.00 0.00 57.16 56.69 3hcf n GLU 218 Cb 0.52 -5.29 -0.05 0.00 -0.57 0.00 0.00 31.44 26.05 3hcf n GLU 218 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3hcf s GLU 219 N -6.62 3.78 0.00 3.49 2.12 -1.26 -4.27 118.70 115.94 3hcf s GLU 219 Ca 0.65 0.20 0.00 0.00 0.36 0.00 0.00 54.97 56.18 3hcf s GLU 219 Cb -0.34 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.03 3hcf s GLU 219 CO 0.80 0.58 0.00 -1.13 -0.54 0.00 0.00 175.26 174.96 3hcf n SER 220 N 1.01 1.73 -3.65 -1.70 3.41 -1.26 -1.62 113.62 111.54 3hcf n SER 220 Ca -0.09 -0.13 -0.10 0.00 -0.26 0.00 0.00 58.87 58.30 3hcf n SER 220 Cb 0.52 0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 65.04 3hcf n SER 220 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 3hcf s TRP 221 N -0.94 -0.24 -0.22 7.33 1.48 -1.26 -0.26 118.94 124.83 3hcf s TRP 221 Ca 0.00 -0.08 -0.27 0.00 -1.06 0.00 0.00 56.10 54.69 3hcf s TRP 221 Cb 0.00 0.44 0.10 0.00 -1.16 0.00 0.00 33.47 32.85 3hcf s TRP 221 CO 0.00 -0.89 0.88 1.52 -4.06 0.00 0.00 176.95 174.39 3hcf s TYR 222 N -3.84 -0.57 0.44 1.66 -0.85 -0.84 -3.63 117.35 109.72 3hcf s TYR 222 Ca 0.06 1.27 0.00 0.00 -0.52 0.00 0.00 57.07 57.88 3hcf s TYR 222 Cb -0.01 0.36 -0.01 0.00 0.38 0.00 0.00 41.96 42.68 3hcf s TYR 222 CO -0.06 -0.36 0.66 -0.51 -1.52 0.00 0.00 175.55 173.77 3hcf s LEU 223 N -0.23 3.69 -0.42 -3.49 1.43 -0.09 -2.47 118.68 117.10 3hcf s LEU 223 Ca -0.01 0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.51 3hcf s LEU 223 Cb -0.03 -3.22 0.35 0.00 0.03 0.00 0.00 46.19 43.32 3hcf s LEU 223 CO 0.00 -0.65 1.25 0.00 0.23 0.00 0.00 176.35 177.19 3hcf n ALA 224 N -2.06 0.22 0.00 4.21 0.00 -0.95 -4.80 120.51 117.13 3hcf n ALA 224 Ca 0.01 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.12 3hcf n ALA 224 Cb 0.57 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3hcf n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hcf n GLY 225 N -0.18 0.96 0.17 0.00 0.00 -1.26 -1.35 105.19 103.53 3hcf n GLY 225 Ca 0.00 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 3hcf n GLY 225 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hcf h GLU 226 N 0.00 0.33 -6.42 1.61 4.39 -1.97 -3.45 114.58 109.08 3hcf h GLU 226 Ca 0.00 -0.28 -0.54 0.00 0.34 0.00 0.00 59.36 58.89 3hcf h GLU 226 Cb 0.00 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3hcf h GLU 226 CO 0.00 0.92 0.94 0.00 -1.16 0.00 0.00 179.01 179.71 3hcf s ALA 227 N -3.59 3.65 -0.40 3.43 0.00 -1.22 -4.98 121.76 118.64 3hcf s ALA 227 Ca -0.05 1.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 3hcf s ALA 227 Cb 0.11 -3.66 0.10 0.00 0.00 0.00 0.00 23.12 19.67 3hcf s ALA 227 CO 0.83 -1.03 0.19 0.50 0.00 0.00 0.00 175.76 176.25 3hcf s ARG 228 N 2.54 2.09 0.17 0.00 3.00 -1.26 -2.25 118.95 123.23 3hcf s ARG 228 Ca 0.70 -1.75 -0.17 0.00 -1.00 0.00 0.00 55.73 53.52 3hcf s ARG 228 Cb -0.37 -3.57 -0.07 0.00 0.00 0.00 0.00 34.95 30.94 3hcf s ARG 228 CO 0.30 -1.03 0.61 -0.51 0.00 0.00 0.00 175.30 174.67 3hcf s LEU 229 N 1.17 4.36 -0.00 -0.88 2.01 -1.03 -4.95 118.68 119.35 3hcf s LEU 229 Ca 0.07 1.21 -0.07 0.00 0.01 0.00 0.00 54.13 55.35 3hcf s LEU 229 Cb -0.23 -3.35 -0.05 0.00 0.01 0.00 0.00 46.19 42.58 3hcf s LEU 229 CO -0.03 0.09 0.26 -0.89 1.01 0.00 0.00 176.35 176.79 3hcf s THR 230 N -1.45 5.31 0.06 5.49 2.01 -1.26 -1.99 115.64 123.81 3hcf s THR 230 Ca 0.39 0.18 0.06 0.00 0.31 0.00 0.00 61.69 62.63 3hcf s THR 230 Cb -0.16 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 3hcf s THR 230 CO 0.20 0.39 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.67 3hcf s VAL 231 N -1.27 1.25 -0.41 3.82 1.01 0.64 -4.73 120.40 120.71 3hcf s VAL 231 Ca 0.26 -1.20 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 3hcf s VAL 231 Cb -0.13 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.12 3hcf s VAL 231 CO 0.15 -0.07 0.73 0.54 0.00 0.00 0.00 175.10 176.45 3hcf s VAL 232 N -1.04 4.75 -0.61 2.92 0.11 -0.85 -4.37 120.40 121.32 3hcf s VAL 232 Ca 0.02 0.52 -0.26 0.00 -2.93 0.00 0.00 61.98 59.32 3hcf s VAL 232 Cb -0.09 -4.22 -0.06 0.00 -1.53 0.00 0.00 36.38 30.48 3hcf s VAL 232 CO 0.02 -0.54 2.21 -2.16 -3.33 0.00 0.00 175.10 171.30 3hcf s PRO 233 N 3.04 2.22 0.71 1.54 0.04 -0.64 -4.68 135.00 137.23 3hcf s PRO 233 Ca 0.28 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.20 3hcf s PRO 233 Cb -0.13 -4.60 0.12 0.00 0.04 0.00 0.00 34.50 29.93 3hcf s PRO 233 CO 0.19 -3.30 0.98 0.14 0.04 0.00 0.00 177.00 175.05 3hcf s VAL 234 N 11.48 2.13 0.16 -0.36 -7.23 -1.26 -4.61 120.40 120.71 3hcf s VAL 234 Ca 0.85 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 60.41 3hcf s VAL 234 Cb -0.14 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 3hcf s VAL 234 CO 0.19 0.00 0.00 -0.94 -0.31 0.00 0.00 175.10 174.05 3hcf s SER 235 N -4.73 1.03 0.16 4.85 1.04 -1.26 0.60 113.70 115.38 3hcf s SER 235 Ca 0.66 -1.16 -0.20 0.00 0.48 0.00 0.00 55.95 55.73 3hcf s SER 235 Cb -0.05 0.15 0.06 0.00 0.10 0.00 0.00 66.02 66.27 3hcf s SER 235 CO 0.44 -0.59 1.65 -0.08 0.98 0.00 0.00 173.24 175.64 3hcf h GLU 236 N 2.76 -0.13 -0.36 4.02 4.81 -1.99 0.23 114.58 123.92 3hcf h GLU 236 Ca -0.36 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3hcf h GLU 236 Cb 1.20 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 3hcf h GLU 236 CO 0.62 -0.09 0.21 0.93 -0.73 0.00 0.00 179.01 179.96 3hcf h GLU 237 N -0.14 0.49 -0.21 1.92 4.39 -1.99 -0.20 114.58 118.84 3hcf h GLU 237 Ca 0.16 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.85 3hcf h GLU 237 Cb 0.38 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 3hcf h GLU 237 CO -0.39 0.38 -0.02 0.93 -1.16 0.00 0.00 179.01 178.75 3hcf h GLU 238 N 0.46 0.04 -0.96 2.33 5.08 -1.87 -1.00 114.58 118.67 3hcf h GLU 238 Ca 0.13 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 3hcf h GLU 238 Cb 0.02 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 3hcf h GLU 238 CO -0.02 0.03 0.61 0.28 -1.00 0.00 0.00 179.01 178.91 3hcf h VAL 239 N 0.04 1.04 0.66 3.13 2.07 -0.50 0.37 116.25 123.06 3hcf h VAL 239 Ca 0.10 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 3hcf h VAL 239 Cb 0.14 -0.14 0.01 0.00 -1.52 0.00 0.00 31.29 29.78 3hcf h VAL 239 CO -0.19 0.20 -0.32 -0.09 0.02 0.00 0.00 177.57 177.20 3hcf h ARG 240 N 1.08 -0.85 -0.88 1.57 2.43 -0.53 -1.55 114.38 115.65 3hcf h ARG 240 Ca 0.43 0.06 0.23 0.00 -0.81 0.00 0.00 59.98 59.89 3hcf h ARG 240 Cb 0.24 0.19 -0.15 0.00 -0.42 0.00 0.00 29.97 29.83 3hcf h ARG 240 CO -0.19 -0.57 0.13 0.93 -1.51 0.00 0.00 179.97 178.76 3hcf h GLU 241 N -1.10 0.12 -0.64 0.20 5.08 -1.06 0.22 114.58 117.40 3hcf h GLU 241 Ca -0.09 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3hcf h GLU 241 Cb 0.68 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 3hcf h GLU 241 CO 0.15 0.08 0.42 0.00 -1.00 0.00 0.00 179.01 178.66 3hcf h ALA 242 N 1.82 0.82 -0.67 3.43 0.00 -0.78 0.18 119.26 124.06 3hcf h ALA 242 Ca 0.54 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 3hcf h ALA 242 Cb 1.07 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3hcf h ALA 242 CO -0.73 0.22 0.28 -0.07 0.00 0.00 0.00 179.25 178.96 3hcf h LEU 243 N 0.85 0.91 0.30 0.00 3.38 0.41 -2.04 115.31 119.12 3hcf h LEU 243 Ca 0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3hcf h LEU 243 Cb -0.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3hcf h LEU 243 CO -0.06 0.82 -0.14 0.58 0.09 0.00 0.00 178.44 179.73 3hcf h VAL 244 N 0.94 0.73 -1.01 1.22 2.07 -0.29 -0.25 116.25 119.66 3hcf h VAL 244 Ca 0.23 -0.19 0.24 0.00 0.82 0.00 0.00 66.70 67.79 3hcf h VAL 244 Cb 0.19 0.84 -0.12 0.00 -1.52 0.00 0.00 31.29 30.67 3hcf h VAL 244 CO -0.02 0.04 0.61 0.03 0.02 0.00 0.00 177.57 178.25 3hcf h ARG 245 N -0.50 0.57 -0.01 1.57 3.08 -0.52 0.22 114.38 118.78 3hcf h ARG 245 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3hcf h ARG 245 Cb 0.38 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3hcf h ARG 245 CO 0.07 0.38 0.00 0.43 -1.07 0.00 0.00 179.97 179.77 3hcf n SER 246 N -4.84 0.24 0.00 7.04 7.64 -0.78 -4.84 113.62 118.08 3hcf n SER 246 Ca 0.26 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.97 3hcf n SER 246 Cb 0.74 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 3hcf n SER 246 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hcf n GLY 247 N 0.98 1.24 3.90 0.23 0.00 0.76 -4.92 105.19 107.38 3hcf n GLY 247 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3hcf n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hcf s TYR 248 N -2.00 3.49 -0.28 1.61 2.02 -0.12 -2.63 117.35 119.44 3hcf s TYR 248 Ca 0.00 0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 57.13 3hcf s TYR 248 Cb 0.00 -1.99 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 3hcf s TYR 248 CO 0.00 0.46 0.19 0.21 -1.57 0.00 0.00 175.55 174.84 3hcf s LYS 249 N -2.55 3.88 -0.46 -0.62 2.20 0.99 -4.22 119.74 118.96 3hcf s LYS 249 Ca 0.39 -0.37 -0.27 0.00 -0.36 0.00 0.00 55.97 55.36 3hcf s LYS 249 Cb -0.12 -3.65 0.03 0.00 -1.51 0.00 0.00 37.83 32.57 3hcf s LYS 249 CO 0.24 -0.21 1.02 0.08 -0.36 0.00 0.00 175.35 176.12 3hcf s VAL 250 N 1.75 4.37 -0.10 4.02 1.01 -1.26 -1.17 120.40 129.02 3hcf s VAL 250 Ca 0.07 1.02 0.15 0.00 0.00 0.00 0.00 61.98 63.22 3hcf s VAL 250 Cb -0.16 -4.50 -0.10 0.00 0.00 0.00 0.00 36.38 31.62 3hcf s VAL 250 CO 0.10 -0.87 1.03 0.03 0.00 0.00 0.00 175.10 175.39 3hcf h ARG 251 N 9.05 0.00 -1.75 2.72 2.47 -1.26 -3.47 114.38 122.14 3hcf h ARG 251 Ca -0.23 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.54 3hcf h ARG 251 Cb 1.07 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.15 3hcf h ARG 251 CO 1.07 0.44 0.27 0.34 0.56 0.00 0.00 179.97 182.64 3hcf s ASP 252 N -6.10 -0.65 -0.04 7.04 2.15 -1.04 -4.98 116.67 113.06 3hcf s ASP 252 Ca -0.01 1.11 -0.01 0.00 0.43 0.00 0.00 52.55 54.08 3hcf s ASP 252 Cb 0.08 1.21 0.03 0.00 -0.30 0.00 0.00 42.92 43.94 3hcf s ASP 252 CO 0.79 -0.18 0.03 -0.22 -0.17 0.00 0.00 175.17 175.42 3hcf s LEU 253 N 0.96 0.61 0.08 -1.34 2.96 -1.26 0.23 118.68 120.92 3hcf s LEU 253 Ca -0.05 0.00 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 3hcf s LEU 253 Cb -0.05 -0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.37 3hcf s LEU 253 CO -0.11 -0.19 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.47 3hcf s ARG 254 N 1.73 0.84 -0.07 1.98 0.52 0.66 -4.98 118.95 119.63 3hcf s ARG 254 Ca 0.00 -1.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.23 3hcf s ARG 254 Cb -0.13 -0.78 0.01 0.00 0.52 0.00 0.00 34.95 34.58 3hcf s ARG 254 CO -0.03 0.16 -0.15 0.99 0.02 0.00 0.00 175.30 176.29 3hcf s THR 255 N -1.56 1.36 -0.21 0.02 2.01 -1.26 -1.22 115.64 114.78 3hcf s THR 255 Ca 0.00 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.33 3hcf s THR 255 Cb -0.08 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 3hcf s THR 255 CO 0.02 0.40 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.86 3hcf s TYR 256 N 0.48 2.99 -0.21 4.92 5.04 0.15 -4.97 117.35 125.75 3hcf s TYR 256 Ca -0.13 -0.71 -0.22 0.00 -2.44 0.00 0.00 57.07 53.56 3hcf s TYR 256 Cb -0.15 -2.10 -0.02 0.00 0.35 0.00 0.00 41.96 40.03 3hcf s TYR 256 CO 0.04 -0.42 0.69 0.42 -1.34 0.00 0.00 175.55 174.95 3hcf s ILE 257 N 1.31 4.96 0.18 3.14 1.01 -1.26 0.10 121.20 130.64 3hcf s ILE 257 Ca 0.04 1.30 -0.32 0.00 0.00 0.00 0.00 60.65 61.67 3hcf s ILE 257 Cb -0.14 -4.00 -0.11 0.00 0.01 0.00 0.00 42.46 38.22 3hcf s ILE 257 CO -0.00 0.05 1.64 -0.32 0.00 0.00 0.00 174.94 176.31 3hcf s MET 258 N 2.21 4.18 0.43 2.79 1.75 -0.64 -4.96 119.30 125.06 3hcf s MET 258 Ca 0.30 2.47 -0.17 0.00 -1.25 0.00 0.00 55.69 57.04 3hcf s MET 258 Cb -0.16 -3.13 -0.09 0.00 2.84 0.00 0.00 34.83 34.29 3hcf s MET 258 CO 0.10 -0.67 0.89 -2.14 -0.65 0.00 0.00 175.02 172.55 3hcf s PRO 259 N 1.19 4.03 0.26 4.11 0.02 -1.26 -4.94 135.00 138.41 3hcf s PRO 259 Ca 0.72 0.88 -0.10 0.00 0.02 0.00 0.00 61.00 62.52 3hcf s PRO 259 Cb -0.46 -2.25 0.39 0.00 0.02 0.00 0.00 34.50 32.20 3hcf s PRO 259 CO 0.32 -0.07 1.50 0.00 -0.33 0.00 0.00 177.00 178.41 3hcf n ALA 260 N -0.98 0.14 1.88 -1.55 0.00 -1.26 -0.82 120.51 117.92 3hcf n ALA 260 Ca 0.06 1.03 0.12 0.00 0.00 0.00 0.00 53.44 54.65 3hcf n ALA 260 Cb 0.54 -0.58 0.72 0.00 0.00 0.00 0.00 19.45 20.13 3hcf n ALA 260 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3hcf n HIS 261 N -5.53 0.00 0.30 0.00 1.44 -1.26 -0.59 115.22 109.59 3hcf n HIS 261 Ca 0.14 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.92 3hcf n HIS 261 Cb 0.46 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.67 3hcf n HIS 261 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3hcf n LEU 262 N -0.90 2.54 -4.58 2.39 4.77 0.00 -4.88 117.00 116.34 3hcf n LEU 262 Ca 0.18 -1.36 -0.43 0.00 -0.03 0.00 0.00 56.01 54.38 3hcf n LEU 262 Cb 0.08 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 3hcf n LEU 262 CO 0.14 0.54 0.81 -1.10 -1.33 0.00 0.00 177.39 176.45 3hcf s GLN 263 N -1.12 3.66 0.00 3.23 -0.21 0.25 -4.91 119.66 120.55 3hcf s GLN 263 Ca 0.21 0.36 0.00 0.00 0.02 0.00 0.00 55.36 55.95 3hcf s GLN 263 Cb 0.13 -3.89 0.00 0.00 1.00 0.00 0.00 33.01 30.25 3hcf s GLN 263 CO 0.19 -1.18 0.56 0.25 -2.12 0.00 0.00 175.29 172.98 3hcf n THR 264 N 6.39 0.21 -1.27 -0.19 -2.24 -1.26 -5.00 114.28 110.92 3hcf n THR 264 Ca 0.08 -0.55 -0.09 0.00 -2.27 0.00 0.00 64.05 61.22 3hcf n THR 264 Cb 0.48 0.98 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 3hcf n THR 264 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hcf n GLY 265 N -0.10 1.09 0.68 3.38 0.00 -1.26 -4.82 105.19 104.15 3hcf n GLY 265 Ca 0.00 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.56 3hcf n GLY 265 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hcf n VAL 266 N -2.72 0.00 -3.60 1.61 0.24 -1.26 -4.93 118.33 107.67 3hcf n VAL 266 Ca -0.09 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3hcf n VAL 266 Cb 0.31 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 3hcf n VAL 266 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3hcf n ASP 267 N 0.58 0.00 -0.42 -1.34 5.68 -1.26 -0.91 116.55 118.88 3hcf n ASP 267 Ca 0.14 -0.93 0.00 0.00 -0.50 0.00 0.00 54.79 53.50 3hcf n ASP 267 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 3hcf n ASP 267 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3hcf n ASP 268 N -0.31 0.00 -4.61 -1.12 3.85 -1.24 -4.77 116.55 108.35 3hcf n ASP 268 Ca 0.00 -1.73 -0.43 0.00 -0.71 0.00 0.00 54.79 51.92 3hcf n ASP 268 Cb 0.00 -0.15 -0.00 0.00 -1.35 0.00 0.00 41.12 39.62 3hcf n ASP 268 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3hcf n VAL 269 N 0.00 2.16 -0.03 2.12 3.14 -1.26 -4.67 118.33 119.79 3hcf n VAL 269 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 3hcf n VAL 269 Cb 0.65 -1.14 -0.08 0.00 -1.06 0.00 0.00 33.84 32.20 3hcf n VAL 269 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3hcf n LYS 270 N 0.47 1.30 -3.80 1.45 4.76 -1.10 -4.92 118.16 116.31 3hcf n LYS 270 Ca 0.09 -0.05 -0.05 0.00 -2.87 0.00 0.00 58.31 55.42 3hcf n LYS 270 Cb 0.36 -1.26 -0.01 0.00 -1.84 0.00 0.00 35.03 32.27 3hcf n LYS 270 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3hcf s GLY 271 N -3.75 -0.10 0.01 0.72 0.00 -1.22 -1.62 107.32 101.36 3hcf s GLY 271 Ca -0.05 -0.13 0.04 0.00 0.00 0.00 0.00 44.72 44.59 3hcf s GLY 271 CO 0.44 0.18 -0.12 0.14 0.00 0.00 0.00 173.10 173.73 3hcf s VAL 272 N -3.28 0.97 0.22 1.40 1.01 0.29 -0.86 120.40 120.15 3hcf s VAL 272 Ca 0.13 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.51 3hcf s VAL 272 Cb -0.03 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 3hcf s VAL 272 CO 0.05 0.13 -0.20 0.72 0.00 0.00 0.00 175.10 175.80 3hcf s PHE 273 N -0.54 2.13 -0.01 5.22 -0.12 0.31 0.31 117.98 125.28 3hcf s PHE 273 Ca 0.03 -0.39 -0.00 0.00 -0.05 0.00 0.00 56.93 56.51 3hcf s PHE 273 Cb -0.06 -1.00 0.01 0.00 -0.63 0.00 0.00 43.02 41.34 3hcf s PHE 273 CO 0.00 0.52 0.02 0.12 -0.05 0.00 0.00 175.22 175.84 3hcf s PHE 274 N -2.18 0.01 -0.00 3.49 5.36 -0.36 -1.88 117.98 122.42 3hcf s PHE 274 Ca 0.23 0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.28 3hcf s PHE 274 Cb -0.06 -0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.52 3hcf s PHE 274 CO 0.11 -0.05 -0.01 0.00 -1.46 0.00 0.00 175.22 173.81 3hcf s ALA 275 N 0.52 0.09 -0.25 11.12 0.00 0.11 -0.24 121.76 133.11 3hcf s ALA 275 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 51.96 51.94 3hcf s ALA 275 Cb -0.06 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.05 3hcf s ALA 275 CO -0.01 0.00 -0.11 -0.46 0.00 0.00 0.00 175.76 175.18 3hcf s TRP 276 N 0.13 3.18 -0.02 0.00 -0.00 0.14 -0.57 118.94 121.79 3hcf s TRP 276 Ca -0.01 -2.13 0.03 0.00 -0.00 0.00 0.00 56.10 53.99 3hcf s TRP 276 Cb -0.02 -1.96 0.00 0.00 -0.00 0.00 0.00 33.47 31.49 3hcf s TRP 276 CO -0.00 -0.85 -0.10 0.00 -0.00 0.00 0.00 176.95 175.99 3hcf s ALA 277 N 1.16 0.95 -0.24 5.86 0.00 0.05 -0.65 121.76 128.89 3hcf s ALA 277 Ca -0.06 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 3hcf s ALA 277 Cb -0.19 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.61 3hcf s ALA 277 CO -0.06 0.17 -0.05 -1.14 0.00 0.00 0.00 175.76 174.69 3hcf s GLN 278 N 0.10 3.13 0.13 0.00 0.74 -0.32 0.19 119.66 123.64 3hcf s GLN 278 Ca -0.02 -0.79 -0.31 0.00 0.05 0.00 0.00 55.36 54.29 3hcf s GLN 278 Cb -0.08 -3.01 -0.09 0.00 1.10 0.00 0.00 33.01 30.92 3hcf s GLN 278 CO 0.00 -0.30 1.53 0.21 -0.55 0.00 0.00 175.29 176.18 3hcf s LYS 279 N 1.42 4.24 0.00 1.67 2.20 -0.93 -0.01 119.74 128.34 3hcf s LYS 279 Ca 0.03 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.91 3hcf s LYS 279 Cb -0.15 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 3hcf s LYS 279 CO -0.04 -0.58 0.46 1.55 -0.36 0.00 0.00 175.35 176.39