#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ony h SER 25 N 0.00 0.00 -0.18 0.00 0.02 -2.03 0.38 113.55 111.75 2ony h SER 25 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2ony h SER 25 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2ony h SER 25 CO 0.00 0.00 0.10 0.00 -1.14 0.00 0.00 176.83 175.79 2ony h ALA 26 N 1.71 1.79 0.00 3.77 0.00 -2.02 -0.83 119.26 123.68 2ony h ALA 26 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ony h ALA 26 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2ony h ALA 26 CO -0.00 0.18 0.00 0.66 0.00 0.00 0.00 179.25 180.09 2ony n TYR 27 N -4.47 0.00 0.26 0.00 4.02 0.13 -1.96 117.16 115.14 2ony n TYR 27 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 2ony n TYR 27 Cb 0.11 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 39.55 2ony n TYR 27 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 2ony h GLN 28 N 0.00 0.00 -0.43 -0.72 1.08 -1.29 -3.26 115.11 110.49 2ony h GLN 28 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2ony h GLN 28 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2ony h GLN 28 CO 0.00 0.00 0.00 0.54 -0.95 0.00 0.00 178.83 178.42 2ony n ARG 29 N -2.73 2.49 -1.87 1.46 1.74 -0.83 -4.96 116.66 111.95 2ony n ARG 29 Ca 0.02 -2.19 -0.43 0.00 -0.77 0.00 0.00 57.85 54.49 2ony n ARG 29 Cb 0.52 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 2ony n ARG 29 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2ony s PHE 30 N -1.11 1.62 -0.40 -1.55 5.36 -1.23 -3.17 117.98 117.49 2ony s PHE 30 Ca 0.33 0.51 -0.19 0.00 -0.96 0.00 0.00 56.93 56.62 2ony s PHE 30 Cb 0.18 -4.05 0.01 0.00 -0.34 0.00 0.00 43.02 38.82 2ony s PHE 30 CO 0.24 -3.49 0.55 -1.21 -1.46 0.00 0.00 175.22 169.85 2ony s GLU 31 N 5.63 3.40 0.14 10.12 2.02 -0.55 -4.99 118.70 134.46 2ony s GLU 31 Ca 0.86 -0.35 -0.24 0.00 0.02 0.00 0.00 54.97 55.26 2ony s GLU 31 Cb -0.28 -3.89 -0.01 0.00 0.10 0.00 0.00 34.13 30.05 2ony s GLU 31 CO 0.34 -0.82 1.63 -1.35 0.02 0.00 0.00 175.26 175.08 2ony h PRO 32 N 8.66 -0.31 -0.83 0.39 0.11 -1.93 -1.00 132.00 137.09 2ony h PRO 32 Ca -0.27 0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.00 2ony h PRO 32 Cb 1.11 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 2ony h PRO 32 CO 0.82 -0.21 0.54 0.00 -0.21 0.00 0.00 178.00 178.95 2ony h ARG 33 N -0.33 0.61 -0.20 1.05 2.47 -1.97 -0.00 114.38 116.01 2ony h ARG 33 Ca 0.10 -0.04 -0.19 0.00 -1.26 0.00 0.00 59.98 58.60 2ony h ARG 33 Cb 0.48 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2ony h ARG 33 CO -0.33 0.40 -0.64 0.00 0.56 0.00 0.00 179.97 179.96 2ony h ALA 34 N 1.61 0.49 -0.27 0.04 0.00 -1.74 -1.74 119.26 117.65 2ony h ALA 34 Ca 0.41 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2ony h ALA 34 Cb 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2ony h ALA 34 CO -0.17 0.70 0.11 -0.92 0.00 0.00 0.00 179.25 178.97 2ony h TYR 35 N 0.53 0.40 -0.38 0.00 3.20 0.19 -1.61 116.97 119.30 2ony h TYR 35 Ca -0.01 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.76 2ony h TYR 35 Cb 1.24 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 2ony h TYR 35 CO 0.07 0.40 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.84 2ony h LEU 36 N 0.29 0.63 -0.56 2.82 3.38 -1.05 -2.29 115.31 118.52 2ony h LEU 36 Ca 0.09 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 2ony h LEU 36 Cb 0.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2ony h LEU 36 CO -0.01 0.74 -0.46 -0.09 0.09 0.00 0.00 178.44 178.72 2ony h ARG 37 N 0.60 0.63 0.00 1.13 2.43 -1.18 0.28 114.38 118.27 2ony h ARG 37 Ca 0.11 -0.35 -0.11 0.00 -0.81 0.00 0.00 59.98 58.82 2ony h ARG 37 Cb 0.48 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2ony h ARG 37 CO 0.03 0.96 -0.50 -0.91 -1.51 0.00 0.00 179.97 178.04 2ony h ASN 38 N 0.51 0.00 0.00 -3.80 2.35 -1.07 -3.31 115.58 110.26 2ony h ASN 38 Ca 0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2ony h ASN 38 Cb 0.99 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.36 2ony h ASN 38 CO 0.09 0.50 -1.08 0.59 -1.65 0.00 0.00 177.43 175.88 2ony n ASN 39 N -3.46 4.65 -0.08 5.81 3.02 -0.88 -4.81 115.26 119.51 2ony n ASN 39 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 2ony n ASN 39 Cb 0.63 0.81 0.02 0.00 -0.61 0.00 0.00 39.78 40.63 2ony n ASN 39 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2ony n TYR 40 N -1.80 0.06 -4.15 3.10 4.02 0.97 -4.14 117.16 115.23 2ony n TYR 40 Ca -0.01 -0.49 -0.23 0.00 -0.01 0.00 0.00 57.90 57.16 2ony n TYR 40 Cb 0.29 -0.05 -0.07 0.00 -0.02 0.00 0.00 39.34 39.49 2ony n TYR 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ony s ALA 41 N -0.98 3.43 0.58 -0.72 0.00 -1.11 -4.37 121.76 118.58 2ony s ALA 41 Ca 0.03 -1.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.01 2ony s ALA 41 Cb 0.02 -0.73 -0.08 0.00 0.00 0.00 0.00 23.12 22.33 2ony s ALA 41 CO 0.02 0.08 0.66 -2.30 0.00 0.00 0.00 175.76 174.22 2ony n PRO 42 N -1.10 0.63 0.08 0.00 -0.02 -1.26 -1.28 135.00 132.06 2ony n PRO 42 Ca -0.04 0.25 0.03 0.00 -2.02 0.00 0.00 63.50 61.72 2ony n PRO 42 Cb 0.61 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 2ony n PRO 42 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2ony h PRO 43 N 0.33 0.00 0.00 0.52 0.13 -1.93 -3.43 132.00 127.61 2ony h PRO 43 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2ony h PRO 43 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2ony h PRO 43 CO 0.48 0.29 0.00 0.00 -0.23 0.00 0.00 178.00 178.54 2ony h ARG 44 N 0.00 0.00 0.00 0.86 3.08 -1.82 -1.79 114.38 114.71 2ony h ARG 44 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2ony h ARG 44 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.46 2ony h ARG 44 CO 0.04 0.00 -0.80 0.41 -1.07 0.00 0.00 179.97 178.55 2ony n GLY 45 N -0.79 -1.18 3.73 0.04 0.00 -0.40 -4.15 105.19 102.43 2ony n GLY 45 Ca -0.02 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 2ony n GLY 45 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ony s ASP 46 N -3.34 6.46 0.00 1.61 3.68 -0.67 -4.76 116.67 119.65 2ony s ASP 46 Ca 0.08 2.80 0.12 0.00 2.13 0.00 0.00 52.55 57.68 2ony s ASP 46 Cb 0.16 -2.61 0.22 0.00 -1.45 0.00 0.00 42.92 39.24 2ony s ASP 46 CO 0.77 -0.90 1.09 0.18 0.13 0.00 0.00 175.17 176.45 2ony n LEU 47 N 3.46 2.55 -0.06 -1.34 4.77 -1.26 -4.60 117.00 120.51 2ony n LEU 47 Ca 0.13 -1.50 -0.13 0.00 -0.03 0.00 0.00 56.01 54.48 2ony n LEU 47 Cb 0.37 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 2ony n LEU 47 CO 0.63 0.57 0.46 0.00 -1.33 0.00 0.00 177.39 177.72 2ony s ASN 49 N -6.93 6.99 0.34 0.00 3.84 -1.26 -4.94 114.94 112.98 2ony s ASN 49 Ca -0.10 1.22 0.04 0.00 0.21 0.00 0.00 52.86 54.23 2ony s ASN 49 Cb 0.11 -2.46 0.67 0.00 -0.55 0.00 0.00 41.25 39.02 2ony s ASN 49 CO 0.88 -0.39 1.95 -0.65 -2.79 0.00 0.00 177.10 176.10 2ony h PRO 50 N 7.27 0.81 -0.05 0.43 0.11 -1.97 -2.29 132.00 136.32 2ony h PRO 50 Ca -0.30 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2ony h PRO 50 Cb 1.14 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2ony h PRO 50 CO 0.83 0.54 0.00 0.09 -0.21 0.00 0.00 178.00 179.25 2ony n ASN 51 N -4.48 0.05 -4.89 -2.05 3.02 -1.26 -4.19 115.26 101.47 2ony n ASN 51 Ca 0.11 -1.93 -0.29 0.00 -0.03 0.00 0.00 54.58 52.44 2ony n ASN 51 Cb 0.20 -0.03 0.05 0.00 -0.61 0.00 0.00 39.78 39.39 2ony n ASN 51 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2ony s GLY 52 N -0.98 1.62 0.31 7.41 0.00 -0.86 -4.94 107.32 109.87 2ony s GLY 52 Ca 0.00 -0.44 0.08 0.00 0.00 0.00 0.00 44.72 44.36 2ony s GLY 52 CO 0.00 -0.08 1.72 -0.24 0.00 0.00 0.00 173.10 174.50 2ony h VAL 53 N -0.60 1.31 0.79 1.40 3.04 -1.88 -2.62 116.25 117.69 2ony h VAL 53 Ca -0.45 -1.52 -0.04 0.00 -1.01 0.00 0.00 66.70 63.68 2ony h VAL 53 Cb 1.26 1.72 0.01 0.00 -2.01 0.00 0.00 31.29 32.27 2ony h VAL 53 CO 0.63 0.45 -0.40 1.23 -1.01 0.00 0.00 177.57 178.47 2ony h GLY 54 N 1.25 -1.14 0.64 3.17 0.00 -1.83 -0.60 103.07 104.56 2ony h GLY 54 Ca 0.01 0.43 0.06 0.00 0.00 0.00 0.00 47.33 47.84 2ony h GLY 54 CO 0.06 -0.41 0.29 -2.55 0.00 0.00 0.00 176.54 173.93 2ony h PRO 55 N -1.09 0.53 -0.21 4.80 0.11 -1.81 -2.34 132.00 132.00 2ony h PRO 55 Ca -0.11 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.00 2ony h PRO 55 Cb 0.84 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.80 2ony h PRO 55 CO 0.16 0.35 0.03 2.35 -0.21 0.00 0.00 178.00 180.69 2ony h TRP 56 N 0.55 0.06 0.26 0.65 7.01 -1.34 -1.62 115.95 121.52 2ony h TRP 56 Ca 0.27 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 2ony h TRP 56 Cb 0.20 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.27 2ony h TRP 56 CO -0.11 0.01 -0.12 -0.22 -2.79 0.00 0.00 178.44 175.22 2ony h LYS 57 N 0.11 -0.33 -0.38 2.65 1.63 -0.82 -1.70 116.57 117.73 2ony h LYS 57 Ca 0.09 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.94 2ony h LYS 57 Cb 0.09 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 2ony h LYS 57 CO -0.13 -0.21 0.26 -0.07 -3.45 0.00 0.00 179.45 175.85 2ony h LEU 58 N -0.36 0.37 -0.57 5.20 3.38 -1.37 -1.57 115.31 120.39 2ony h LEU 58 Ca -0.04 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 2ony h LEU 58 Cb 0.27 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2ony h LEU 58 CO 0.06 0.26 -0.30 -0.09 0.09 0.00 0.00 178.44 178.46 2ony h ARG 59 N 0.43 0.82 -0.34 1.13 2.43 -0.96 -0.34 114.38 117.54 2ony h ARG 59 Ca 0.15 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 2ony h ARG 59 Cb 0.08 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2ony h ARG 59 CO -0.04 1.01 0.14 0.00 -1.51 0.00 0.00 179.97 179.57 2ony h LEU 61 N 0.41 0.10 -0.08 0.00 3.38 -1.35 -2.49 115.31 115.29 2ony h LEU 61 Ca 0.11 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2ony h LEU 61 Cb 0.17 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2ony h LEU 61 CO -0.01 0.31 -0.03 0.00 0.09 0.00 0.00 178.44 178.80 2ony h ALA 62 N 0.79 0.04 -0.90 1.53 0.00 -0.98 -2.02 119.26 117.73 2ony h ALA 62 Ca 0.02 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2ony h ALA 62 Cb 0.25 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2ony h ALA 62 CO 0.00 -0.50 0.58 1.96 0.00 0.00 0.00 179.25 181.29 2ony h GLN 63 N -0.02 1.19 -0.09 0.00 4.20 -1.23 -1.09 115.11 118.06 2ony h GLN 63 Ca 0.04 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2ony h GLN 63 Cb 0.09 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 2ony h GLN 63 CO -0.09 0.80 0.06 1.15 -0.67 0.00 0.00 178.83 180.08 2ony h THR 64 N 1.22 1.04 0.00 -0.54 2.02 -1.09 -2.82 112.91 112.74 2ony h THR 64 Ca 0.33 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.33 2ony h THR 64 Cb -0.12 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2ony h THR 64 CO -0.07 0.03 -0.43 -0.26 0.37 0.00 0.00 175.52 175.16 2ony h PHE 65 N 0.11 0.00 0.00 3.16 -1.00 -1.14 -2.86 116.94 115.21 2ony h PHE 65 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2ony h PHE 65 Cb 0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.57 2ony h PHE 65 CO -0.07 0.43 0.00 0.00 -1.61 0.00 0.00 178.31 177.07 2ony h ALA 66 N 1.57 1.00 0.00 2.45 0.00 -0.95 -1.20 119.26 122.13 2ony h ALA 66 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ony h ALA 66 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2ony h ALA 66 CO 0.06 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.56 2ony n THR 67 N -2.72 0.78 -1.21 0.00 -2.24 -1.08 -4.89 114.28 102.92 2ony n THR 67 Ca 0.00 0.14 -0.07 0.00 -2.27 0.00 0.00 64.05 61.85 2ony n THR 67 Cb 0.21 -1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 67.40 2ony n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ony n GLY 68 N 0.28 0.82 0.06 3.38 0.00 -0.45 -4.86 105.19 104.41 2ony n GLY 68 Ca 0.03 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.96 2ony n GLY 68 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ony n GLU 69 N -1.33 0.65 -3.08 1.61 1.02 -1.26 -4.66 120.64 113.58 2ony n GLU 69 Ca -0.07 -0.04 -0.45 0.00 -0.02 0.00 0.00 57.16 56.57 2ony n GLU 69 Cb 0.42 -1.63 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 2ony n GLU 69 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ony s VAL 70 N -3.26 4.92 0.14 2.62 1.01 -1.26 -4.99 120.40 119.59 2ony s VAL 70 Ca -0.06 -1.44 -0.07 0.00 0.00 0.00 0.00 61.98 60.41 2ony s VAL 70 Cb 0.11 -4.59 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 2ony s VAL 70 CO 0.86 -1.25 0.21 -0.94 0.00 0.00 0.00 175.10 173.97 2ony s SER 71 N 3.33 0.13 0.00 3.32 1.04 -1.26 -4.94 113.70 115.31 2ony s SER 71 Ca 0.20 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2ony s SER 71 Cb -0.15 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2ony s SER 71 CO -0.02 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 173.99 2ony n GLY 72 N -0.16 -0.46 0.06 7.32 0.00 -1.25 -4.90 105.19 105.80 2ony n GLY 72 Ca -0.08 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 2ony n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ony n ARG 73 N 0.00 0.34 -4.32 1.61 0.63 -1.26 -4.50 116.66 109.15 2ony n ARG 73 Ca 0.00 0.07 -0.29 0.00 -0.92 0.00 0.00 57.85 56.71 2ony n ARG 73 Cb 0.00 -1.24 -0.11 0.00 0.45 0.00 0.00 32.46 31.55 2ony n ARG 73 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2ony s THR 74 N -2.24 2.79 -0.14 5.15 -4.23 -1.26 -1.20 115.64 114.50 2ony s THR 74 Ca -0.16 -1.58 -0.12 0.00 -1.18 0.00 0.00 61.69 58.65 2ony s THR 74 Cb 0.04 -2.29 0.04 0.00 1.34 0.00 0.00 72.50 71.63 2ony s THR 74 CO 0.28 0.06 0.36 -0.22 -0.54 0.00 0.00 174.62 174.57 2ony s LEU 75 N -2.23 0.53 -0.07 4.79 0.20 -0.75 -1.80 118.68 119.36 2ony s LEU 75 Ca 0.18 0.74 0.05 0.00 0.69 0.00 0.00 54.13 55.79 2ony s LEU 75 Cb -0.10 1.23 -0.01 0.00 -0.43 0.00 0.00 46.19 46.88 2ony s LEU 75 CO 0.10 -0.13 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.17 2ony s ILE 76 N 0.37 2.22 -0.36 6.68 1.01 -1.06 -0.42 121.20 129.64 2ony s ILE 76 Ca -0.01 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 2ony s ILE 76 Cb -0.03 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.62 2ony s ILE 76 CO -0.01 0.57 0.22 -0.62 0.00 0.00 0.00 174.94 175.09 2ony s ASP 77 N -0.10 5.81 -0.02 3.58 2.15 0.60 -1.52 116.67 127.17 2ony s ASP 77 Ca -0.05 -0.78 -0.29 0.00 0.43 0.00 0.00 52.55 51.86 2ony s ASP 77 Cb -0.14 -2.06 -0.03 0.00 -0.30 0.00 0.00 42.92 40.39 2ony s ASP 77 CO 0.04 -0.33 0.94 -0.63 -0.17 0.00 0.00 175.17 175.03 2ony s ILE 78 N 1.62 4.89 -1.25 4.11 -1.09 -0.02 -1.74 121.20 127.72 2ony s ILE 78 Ca 0.04 1.97 -0.10 0.00 -2.23 0.00 0.00 60.65 60.33 2ony s ILE 78 Cb -0.18 -4.28 -0.01 0.00 -1.58 0.00 0.00 42.46 36.41 2ony s ILE 78 CO 0.08 0.16 0.66 0.61 -1.23 0.00 0.00 174.94 175.22 2ony n GLY 79 N 2.95 -0.63 0.29 6.18 0.00 -1.24 -4.27 105.19 108.48 2ony n GLY 79 Ca 0.05 0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.49 2ony n GLY 79 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ony h SER 80 N -1.85 0.00 0.00 1.61 0.02 0.77 -3.44 113.55 110.65 2ony h SER 80 Ca -0.64 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 2ony h SER 80 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 2ony h SER 80 CO 0.54 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.84 2ony n GLY 81 N -1.51 0.79 1.86 -3.77 0.00 -1.24 -2.84 105.19 98.47 2ony n GLY 81 Ca -0.01 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 2ony n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ony n PRO 82 N 0.00 2.40 -4.39 1.61 -0.04 -1.26 -4.72 135.00 128.60 2ony n PRO 82 Ca 0.00 -2.32 -0.28 0.00 -0.04 0.00 0.00 63.50 60.86 2ony n PRO 82 Cb 0.00 -1.94 -0.12 0.00 -0.04 0.00 0.00 33.50 31.40 2ony n PRO 82 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2ony s THR 83 N -2.48 2.37 0.00 0.52 -4.23 -1.13 -4.81 115.64 105.89 2ony s THR 83 Ca 0.43 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 2ony s THR 83 Cb 0.36 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 72.11 2ony s THR 83 CO 0.09 0.01 0.00 1.33 -0.54 0.00 0.00 174.62 175.51 2ony n VAL 84 N 0.64 0.00 -0.32 2.29 0.24 -1.26 -4.79 118.33 115.13 2ony n VAL 84 Ca -0.16 -0.09 0.17 0.00 -2.04 0.00 0.00 64.34 62.22 2ony n VAL 84 Cb 0.54 0.56 0.34 0.00 -1.47 0.00 0.00 33.84 33.81 2ony n VAL 84 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 2ony h TYR 85 N 0.00 0.26 0.00 6.34 -0.00 -1.97 0.22 116.97 121.82 2ony h TYR 85 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 58.73 58.79 2ony h TYR 85 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 36.73 36.77 2ony h TYR 85 CO 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 178.16 177.81 2ony n GLN 86 N -5.35 0.12 0.00 0.10 0.00 -1.26 -1.53 117.38 109.46 2ony n GLN 86 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.25 2ony n GLN 86 Cb 0.82 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 29.69 2ony n GLN 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2ony n LEU 87 N -0.88 0.50 -0.03 2.61 4.77 0.06 -4.76 117.00 119.28 2ony n LEU 87 Ca 0.02 -0.63 -0.08 0.00 -0.03 0.00 0.00 56.01 55.29 2ony n LEU 87 Cb 0.01 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2ony n LEU 87 CO 0.02 0.12 0.77 -0.07 -1.33 0.00 0.00 177.39 176.90 2ony h LEU 88 N 0.00 -0.42 -0.04 2.23 3.38 -1.35 0.39 115.31 119.50 2ony h LEU 88 Ca 0.00 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2ony h LEU 88 Cb 0.07 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2ony h LEU 88 CO 0.00 -0.17 -0.59 0.28 0.09 0.00 0.00 178.44 178.06 2ony h SER 89 N -0.13 0.00 0.17 -0.43 0.02 -1.89 -3.34 113.55 107.95 2ony h SER 89 Ca 0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2ony h SER 89 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2ony h SER 89 CO -0.27 0.59 -0.08 0.00 -1.14 0.00 0.00 176.83 175.93 2ony h ALA 90 N 1.41 -0.23 -1.54 3.77 0.00 -1.72 -3.33 119.26 117.63 2ony h ALA 90 Ca -0.01 -0.21 0.48 0.00 0.00 0.00 0.00 54.91 55.18 2ony h ALA 90 Cb 1.43 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 2ony h ALA 90 CO 0.08 -0.39 1.05 0.00 0.00 0.00 0.00 179.25 179.99 2ony n SER 92 N -4.20 0.00 -0.01 0.00 3.41 -1.25 -3.23 113.62 108.34 2ony n SER 92 Ca 0.39 -1.51 0.01 0.00 -0.26 0.00 0.00 58.87 57.50 2ony n SER 92 Cb 1.65 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 65.59 2ony n SER 92 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2ony n HIS 93 N -0.73 0.00 -3.78 7.33 8.25 0.21 -5.00 115.22 121.51 2ony n HIS 93 Ca 0.11 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.35 2ony n HIS 93 Cb 0.05 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 30.98 2ony n HIS 93 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2ony s PHE 94 N -0.88 0.47 0.12 4.41 0.40 -1.20 -3.92 117.98 117.37 2ony s PHE 94 Ca 0.01 -0.03 0.14 0.00 -0.60 0.00 0.00 56.93 56.44 2ony s PHE 94 Cb 0.01 -0.66 0.31 0.00 0.51 0.00 0.00 43.02 43.19 2ony s PHE 94 CO 0.04 -0.26 1.56 1.05 0.70 0.00 0.00 175.22 178.31 2ony h GLU 95 N 8.18 0.00 -4.21 0.44 4.11 -1.73 -3.40 114.58 117.96 2ony h GLU 95 Ca -0.21 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.55 2ony h GLU 95 Cb 1.13 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.99 2ony h GLU 95 CO 0.27 0.58 -0.61 0.34 0.07 0.00 0.00 179.01 179.65 2ony s ASP 96 N -6.59 4.87 -0.19 3.06 2.15 -0.34 -4.64 116.67 114.99 2ony s ASP 96 Ca 0.01 -2.40 -0.07 0.00 0.43 0.00 0.00 52.55 50.52 2ony s ASP 96 Cb 0.10 -1.72 -0.04 0.00 -0.30 0.00 0.00 42.92 40.97 2ony s ASP 96 CO 0.74 -0.39 0.06 -0.63 -0.17 0.00 0.00 175.17 174.78 2ony s ILE 97 N 0.59 4.69 -0.23 4.11 1.01 -0.20 -1.80 121.20 129.36 2ony s ILE 97 Ca 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 2ony s ILE 97 Cb -0.22 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.13 2ony s ILE 97 CO -0.05 0.45 -0.02 -0.89 0.00 0.00 0.00 174.94 174.43 2ony s THR 98 N 0.51 3.52 0.14 2.92 2.01 0.44 -0.85 115.64 124.33 2ony s THR 98 Ca 0.03 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.56 2ony s THR 98 Cb -0.13 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 2ony s THR 98 CO 0.01 0.37 0.26 -0.04 -0.69 0.00 0.00 174.62 174.53 2ony s MET 99 N 1.49 3.38 0.24 4.92 -1.94 -0.36 -0.30 119.30 126.74 2ony s MET 99 Ca 0.05 -0.61 -0.07 0.00 -1.71 0.00 0.00 55.69 53.35 2ony s MET 99 Cb -0.15 -2.94 -0.02 0.00 2.01 0.00 0.00 34.83 33.74 2ony s MET 99 CO -0.02 0.53 0.35 0.95 -0.01 0.00 0.00 175.02 176.82 2ony s THR 100 N -1.71 0.00 0.00 2.05 -4.23 -0.71 -1.04 115.64 110.00 2ony s THR 100 Ca 0.34 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 2ony s THR 100 Cb -0.11 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.37 2ony s THR 100 CO 0.28 0.00 0.00 -0.67 -0.54 0.00 0.00 174.62 173.69 2ony n ASP 101 N -0.48 0.00 -0.10 3.99 2.03 -0.84 0.12 116.55 121.26 2ony n ASP 101 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 2ony n ASP 101 Cb 0.63 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.03 2ony n ASP 101 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2ony h PHE 102 N 0.00 0.41 -3.58 -0.67 3.57 -1.86 -2.95 116.94 111.86 2ony h PHE 102 Ca 0.00 0.01 -0.52 0.00 3.53 0.00 0.00 57.97 60.99 2ony h PHE 102 Cb 0.00 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 2ony h PHE 102 CO 0.00 0.25 0.29 -0.51 -2.23 0.00 0.00 178.31 176.11 2ony s LEU 103 N -10.18 4.54 0.06 0.59 1.43 -1.26 -4.66 118.68 109.19 2ony s LEU 103 Ca -0.13 1.74 -0.28 0.00 -1.03 0.00 0.00 54.13 54.43 2ony s LEU 103 Cb 0.10 -3.48 -0.17 0.00 0.03 0.00 0.00 46.19 42.68 2ony s LEU 103 CO 0.71 0.05 1.56 -0.08 0.23 0.00 0.00 176.35 178.83 2ony h GLU 104 N 5.02 -0.49 -0.96 1.70 4.57 -1.98 -2.61 114.58 119.83 2ony h GLU 104 Ca -0.44 0.03 0.24 0.00 -1.18 0.00 0.00 59.36 58.01 2ony h GLU 104 Cb 1.21 0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.84 2ony h GLU 104 CO 0.70 -0.27 0.64 -0.39 -1.18 0.00 0.00 179.01 178.50 2ony h VAL 105 N -0.60 0.60 -0.20 0.32 -1.51 -1.96 0.17 116.25 113.07 2ony h VAL 105 Ca -0.05 -0.11 -0.20 0.00 -1.23 0.00 0.00 66.70 65.11 2ony h VAL 105 Cb 0.44 0.24 0.01 0.00 -2.13 0.00 0.00 31.29 29.85 2ony h VAL 105 CO 0.09 0.06 -0.64 0.78 -1.23 0.00 0.00 177.57 176.62 2ony h ASN 106 N 0.33 0.90 0.07 4.19 -0.26 -1.85 -1.47 115.58 117.48 2ony h ASN 106 Ca 0.51 -0.59 -0.08 0.00 -0.56 0.00 0.00 56.30 55.57 2ony h ASN 106 Cb 1.41 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 38.39 2ony h ASN 106 CO -0.18 1.34 -0.25 0.03 -1.06 0.00 0.00 177.43 177.31 2ony h ARG 107 N 0.51 0.31 0.00 0.81 3.08 -0.72 -1.33 114.38 117.04 2ony h ARG 107 Ca -0.03 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 2ony h ARG 107 Cb 1.27 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 2ony h ARG 107 CO 0.14 0.54 -0.52 1.96 -1.07 0.00 0.00 179.97 181.02 2ony h GLN 108 N 0.28 0.00 0.06 0.04 4.20 -0.90 -1.48 115.11 117.32 2ony h GLN 108 Ca 0.04 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.52 2ony h GLN 108 Cb 0.60 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 2ony h GLN 108 CO 0.04 0.52 -1.07 1.49 -0.67 0.00 0.00 178.83 179.15 2ony h GLU 109 N 0.00 0.25 -0.42 1.46 4.57 -0.74 -2.68 114.58 117.02 2ony h GLU 109 Ca -0.01 -0.35 -0.05 0.00 -1.18 0.00 0.00 59.36 57.77 2ony h GLU 109 Cb 1.00 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 2ony h GLU 109 CO 0.07 1.11 0.06 -0.07 -1.18 0.00 0.00 179.01 178.99 2ony h LEU 110 N 0.11 0.68 -0.48 1.64 3.38 -1.08 -2.92 115.31 116.64 2ony h LEU 110 Ca -0.09 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.66 2ony h LEU 110 Cb 1.75 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 42.28 2ony h LEU 110 CO 0.17 0.78 0.23 1.23 0.09 0.00 0.00 178.44 180.94 2ony h GLY 111 N 0.56 0.66 0.41 0.83 0.00 -1.27 0.14 103.07 104.41 2ony h GLY 111 Ca 0.13 -0.15 0.15 0.00 0.00 0.00 0.00 47.33 47.45 2ony h GLY 111 CO 0.01 0.09 0.60 3.21 0.00 0.00 0.00 176.54 180.46 2ony h ARG 112 N 0.45 0.77 0.10 4.80 3.08 -1.29 0.26 114.38 122.55 2ony h ARG 112 Ca 0.21 -0.05 -0.26 0.00 0.07 0.00 0.00 59.98 59.95 2ony h ARG 112 Cb 0.13 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2ony h ARG 112 CO -0.16 0.51 -1.18 2.35 -1.07 0.00 0.00 179.97 180.42 2ony h TRP 113 N 0.79 0.44 -0.28 3.04 7.01 -1.13 0.51 115.95 126.33 2ony h TRP 113 Ca 0.49 -0.31 -0.15 0.00 2.11 0.00 0.00 58.89 61.04 2ony h TRP 113 Cb 0.71 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.74 2ony h TRP 113 CO -0.00 1.23 -0.41 -0.07 -2.79 0.00 0.00 178.44 176.39 2ony h LEU 114 N 0.08 0.74 -0.88 0.65 3.38 0.39 -2.97 115.31 116.69 2ony h LEU 114 Ca -0.11 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2ony h LEU 114 Cb 1.91 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2ony h LEU 114 CO 0.19 1.06 -0.07 0.00 0.09 0.00 0.00 178.44 179.71 2ony n GLN 115 N -4.03 1.47 -1.59 1.13 1.13 0.80 -4.91 117.38 111.38 2ony n GLN 115 Ca -0.02 -0.88 -0.17 0.00 -1.94 0.00 0.00 57.00 53.99 2ony n GLN 115 Cb 0.54 -1.48 -0.07 0.00 0.11 0.00 0.00 30.24 29.34 2ony n GLN 115 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2ony n GLU 116 N -0.00 -1.23 -0.59 -1.09 1.02 -0.81 -4.97 120.64 112.96 2ony n GLU 116 Ca 0.17 1.09 -0.28 0.00 -0.02 0.00 0.00 57.16 58.12 2ony n GLU 116 Cb 0.36 -5.35 0.25 0.00 -0.02 0.00 0.00 31.44 26.68 2ony n GLU 116 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2ony s GLU 117 N -3.62 -1.14 0.44 3.49 2.02 0.10 -4.96 118.70 115.04 2ony s GLU 117 Ca 0.00 0.68 -0.23 0.00 0.02 0.00 0.00 54.97 55.44 2ony s GLU 117 Cb 0.00 -1.54 -0.08 0.00 0.10 0.00 0.00 34.13 32.61 2ony s GLU 117 CO 0.00 -3.83 1.14 -2.14 0.02 0.00 0.00 175.26 170.45 2ony s PRO 118 N -4.58 3.87 -0.26 0.39 0.02 -1.26 -3.56 135.00 129.61 2ony s PRO 118 Ca 0.68 1.71 0.00 0.00 0.02 0.00 0.00 61.00 63.41 2ony s PRO 118 Cb -0.23 -2.45 0.00 0.00 0.02 0.00 0.00 34.50 31.84 2ony s PRO 118 CO 0.63 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 177.27 2ony n GLY 119 N 0.42 0.58 3.79 0.52 0.00 -1.26 -5.02 105.19 104.22 2ony n GLY 119 Ca 0.07 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 2ony n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ony s ALA 120 N -2.02 2.37 0.43 4.61 0.00 -1.23 -5.00 121.76 120.92 2ony s ALA 120 Ca 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.77 2ony s ALA 120 Cb 0.00 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 2ony s ALA 120 CO 0.00 -1.58 1.02 0.12 0.00 0.00 0.00 175.76 175.32 2ony s PHE 121 N -3.03 3.22 -0.55 0.00 5.36 -1.26 -4.99 117.98 116.72 2ony s PHE 121 Ca 0.60 1.63 -0.19 0.00 -0.96 0.00 0.00 56.93 58.01 2ony s PHE 121 Cb -0.15 -3.05 0.09 0.00 -0.34 0.00 0.00 43.02 39.56 2ony s PHE 121 CO 0.55 -0.55 0.65 1.21 -1.46 0.00 0.00 175.22 175.62 2ony s ASN 122 N -1.79 6.20 0.00 6.13 2.47 -1.26 -4.89 114.94 121.79 2ony s ASN 122 Ca 0.61 -1.25 0.22 0.00 0.42 0.00 0.00 52.86 52.86 2ony s ASN 122 Cb -0.18 -2.29 0.53 0.00 -1.45 0.00 0.00 41.25 37.86 2ony s ASN 122 CO 0.23 -1.00 1.45 0.79 -3.72 0.00 0.00 177.10 174.85 2ony n TRP 123 N 6.17 0.63 -0.23 0.43 7.02 -1.26 -4.63 117.44 125.56 2ony n TRP 123 Ca -0.09 -0.31 -0.01 0.00 -1.02 0.00 0.00 57.50 56.06 2ony n TRP 123 Cb 0.43 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.38 2ony n TRP 123 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2ony h SER 124 N 4.01 -0.87 -0.91 -0.99 4.64 -1.99 0.10 113.55 117.53 2ony h SER 124 Ca 0.00 0.22 0.18 0.00 -0.47 0.00 0.00 61.79 61.72 2ony h SER 124 Cb 0.90 0.50 -0.07 0.00 -0.31 0.00 0.00 62.40 63.41 2ony h SER 124 CO 0.00 -0.26 0.59 0.24 -0.87 0.00 0.00 176.83 176.53 2ony h MET 125 N -0.06 0.54 -0.16 4.77 2.86 -2.00 -0.20 114.93 120.69 2ony h MET 125 Ca 0.30 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.75 2ony h MET 125 Cb 0.54 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 32.08 2ony h MET 125 CO -0.72 0.36 -0.53 1.88 1.06 0.00 0.00 176.91 178.95 2ony h TYR 126 N 0.56 0.84 -0.10 -0.22 -1.99 -1.17 -2.19 116.97 112.69 2ony h TYR 126 Ca 0.48 -0.34 -0.00 0.00 2.00 0.00 0.00 58.73 60.86 2ony h TYR 126 Cb 0.98 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 39.56 2ony h TYR 126 CO -0.00 1.13 0.06 0.77 -0.00 0.00 0.00 178.16 180.12 2ony h SER 127 N 0.30 0.13 -0.18 3.88 0.02 -0.50 0.21 113.55 117.41 2ony h SER 127 Ca -0.02 -0.07 0.05 0.00 -0.84 0.00 0.00 61.79 60.91 2ony h SER 127 Cb 1.16 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.61 2ony h SER 127 CO 0.11 0.16 -0.15 1.56 -1.14 0.00 0.00 176.83 177.37 2ony h GLN 128 N 0.08 -0.16 -0.66 3.45 4.20 -1.10 0.84 115.11 121.78 2ony h GLN 128 Ca 0.04 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 2ony h GLN 128 Cb 0.06 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2ony h GLN 128 CO -0.01 -0.11 0.24 1.25 -0.67 0.00 0.00 178.83 179.53 2ony h HIS 129 N -0.17 0.99 -0.47 2.96 2.76 -1.17 0.31 115.15 120.37 2ony h HIS 129 Ca 0.11 -0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 58.15 2ony h HIS 129 Cb 0.33 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2ony h HIS 129 CO -0.30 0.78 0.02 0.00 -1.30 0.00 0.00 177.93 177.13 2ony h ALA 130 N 1.31 1.16 -0.47 5.26 0.00 -0.29 0.25 119.26 126.49 2ony h ALA 130 Ca 0.22 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2ony h ALA 130 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2ony h ALA 130 CO -0.02 0.55 -0.24 0.00 0.00 0.00 0.00 179.25 179.54 2ony h LEU 132 N 0.83 -0.49 0.24 0.00 5.85 0.38 -1.78 115.31 120.34 2ony h LEU 132 Ca 0.10 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2ony h LEU 132 Cb 0.82 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 2ony h LEU 132 CO 0.07 -0.32 -0.28 0.40 -0.34 0.00 0.00 178.44 177.98 2ony h ILE 133 N -0.63 0.41 -0.85 4.05 2.04 -0.50 -2.71 117.51 119.33 2ony h ILE 133 Ca -0.06 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.91 2ony h ILE 133 Cb 0.47 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 2ony h ILE 133 CO 0.10 0.00 0.55 -0.33 0.00 0.00 0.00 178.15 178.47 2ony h GLU 134 N -0.56 0.73 -5.59 2.37 5.08 -1.28 -3.47 114.58 111.86 2ony h GLU 134 Ca 0.00 -0.04 -0.37 0.00 -1.00 0.00 0.00 59.36 57.95 2ony h GLU 134 Cb 0.53 -0.16 0.14 0.00 0.50 0.00 0.00 28.75 29.76 2ony h GLU 134 CO -0.08 0.48 -0.67 0.41 -1.00 0.00 0.00 179.01 178.15 2ony n GLY 135 N -1.43 -0.44 1.39 -3.84 0.00 -0.67 -4.90 105.19 95.29 2ony n GLY 135 Ca 0.15 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 2ony n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ony n LYS 136 N -4.62 2.65 -1.41 1.61 5.02 -1.26 -4.93 118.16 115.22 2ony n LYS 136 Ca -0.05 -3.04 -0.15 0.00 -2.02 0.00 0.00 58.31 53.04 2ony n LYS 136 Cb 0.58 -1.96 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 2ony n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ony n GLY 137 N -0.72 1.39 3.75 0.72 0.00 -1.26 -4.95 105.19 104.12 2ony n GLY 137 Ca 0.34 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 2ony n GLY 137 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ony s GLU 138 N -3.20 4.80 0.47 1.61 2.12 -1.26 -5.04 118.70 118.19 2ony s GLU 138 Ca 0.00 1.45 -0.19 0.00 0.36 0.00 0.00 54.97 56.58 2ony s GLU 138 Cb 0.00 -3.30 -0.09 0.00 0.26 0.00 0.00 34.13 31.00 2ony s GLU 138 CO 0.00 0.47 0.98 0.00 -0.54 0.00 0.00 175.26 176.17 2ony h TRP 140 N 1.51 0.00 -0.24 0.00 5.08 -1.92 -2.64 115.95 117.75 2ony h TRP 140 Ca -0.48 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.35 2ony h TRP 140 Cb 1.19 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.34 2ony h TRP 140 CO 0.62 0.09 -0.43 1.96 -1.28 0.00 0.00 178.44 179.39 2ony h GLN 141 N 0.00 0.58 -0.00 0.12 7.50 -1.96 -2.31 115.11 119.04 2ony h GLN 141 Ca -0.00 -0.31 -0.11 0.00 0.50 0.00 0.00 58.65 58.73 2ony h GLN 141 Cb 0.43 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.95 2ony h GLN 141 CO 0.01 0.91 -0.53 -0.44 -1.50 0.00 0.00 178.83 177.28 2ony h ASP 142 N 0.47 0.01 -0.10 1.46 5.19 -1.86 -1.91 116.42 119.69 2ony h ASP 142 Ca 0.03 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 2ony h ASP 142 Cb 0.95 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.45 2ony h ASP 142 CO 0.08 0.54 -0.03 0.50 -3.12 0.00 0.00 179.24 177.22 2ony h LYS 143 N 0.01 0.19 -0.49 3.56 1.63 -1.34 -1.81 116.57 118.31 2ony h LYS 143 Ca -0.00 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.62 2ony h LYS 143 Cb 0.93 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.54 2ony h LYS 143 CO 0.07 0.50 -0.12 0.93 -3.45 0.00 0.00 179.45 177.39 2ony h GLU 144 N -0.14 0.92 -0.84 1.90 5.08 -1.38 -1.93 114.58 118.19 2ony h GLU 144 Ca 0.02 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2ony h GLU 144 Cb 0.44 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2ony h GLU 144 CO 0.01 0.98 0.53 -0.09 -1.00 0.00 0.00 179.01 179.44 2ony h ARG 145 N 0.82 1.13 -0.35 2.33 2.43 -1.33 -0.19 114.38 119.22 2ony h ARG 145 Ca 0.13 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 2ony h ARG 145 Cb 0.65 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2ony h ARG 145 CO 0.05 0.78 -0.33 0.37 -1.51 0.00 0.00 179.97 179.33 2ony h GLN 146 N 1.15 0.83 0.86 0.20 4.15 -1.06 -1.37 115.11 119.87 2ony h GLN 146 Ca 0.30 -0.43 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 2ony h GLN 146 Cb -0.08 0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.63 2ony h GLN 146 CO -0.06 1.07 -0.41 1.25 -1.93 0.00 0.00 178.83 178.75 2ony h LEU 147 N 0.62 -0.98 -0.80 -2.39 5.85 -1.08 -0.04 115.31 116.49 2ony h LEU 147 Ca 0.06 0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.98 2ony h LEU 147 Cb 0.91 0.25 -0.11 0.00 0.37 0.00 0.00 40.66 42.08 2ony h LEU 147 CO 0.08 -0.66 0.26 0.03 -0.34 0.00 0.00 178.44 177.81 2ony h ARG 148 N -1.23 0.32 -0.04 1.25 3.08 -1.08 0.47 114.38 117.15 2ony h ARG 148 Ca -0.12 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 2ony h ARG 148 Cb 0.89 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 2ony h ARG 148 CO 0.19 0.21 0.03 0.00 -1.07 0.00 0.00 179.97 179.33 2ony h ALA 149 N 1.64 0.06 0.00 0.04 0.00 -1.05 -3.13 119.26 116.82 2ony h ALA 149 Ca 0.47 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 2ony h ALA 149 Cb 0.82 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2ony h ALA 149 CO -0.51 -0.42 -0.20 0.00 0.00 0.00 0.00 179.25 178.12 2ony h ARG 150 N 0.00 0.00 -6.32 0.00 3.08 0.15 -3.42 114.38 107.87 2ony h ARG 150 Ca 0.02 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.50 2ony h ARG 150 Cb 0.06 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 2ony h ARG 150 CO -0.00 0.20 1.01 0.08 -1.07 0.00 0.00 179.97 180.19 2ony s VAL 151 N -3.52 4.02 -0.22 2.04 1.01 0.05 -1.03 120.40 122.76 2ony s VAL 151 Ca 0.02 1.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.96 2ony s VAL 151 Cb 0.09 -4.02 -0.18 0.00 0.00 0.00 0.00 36.38 32.27 2ony s VAL 151 CO 0.64 -0.41 0.13 0.29 0.00 0.00 0.00 175.10 175.76 2ony n LYS 152 N 7.37 0.57 -4.15 2.72 4.76 -0.03 -4.93 118.16 124.48 2ony n LYS 152 Ca 0.16 0.53 -0.12 0.00 -2.87 0.00 0.00 58.31 56.01 2ony n LYS 152 Cb 0.46 -1.71 -0.10 0.00 -1.84 0.00 0.00 35.03 31.84 2ony n LYS 152 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2ony s ARG 153 N -2.39 0.76 -0.43 1.97 1.70 -1.25 -5.07 118.95 114.24 2ony s ARG 153 Ca -0.30 -1.18 0.04 0.00 -0.47 0.00 0.00 55.73 53.81 2ony s ARG 153 Cb 0.07 -0.26 0.12 0.00 -0.57 0.00 0.00 34.95 34.31 2ony s ARG 153 CO 0.58 0.01 0.17 0.08 -1.08 0.00 0.00 175.30 175.06 2ony s VAL 154 N -2.97 2.26 0.12 4.99 1.01 -1.26 -1.23 120.40 123.33 2ony s VAL 154 Ca 0.06 -2.78 0.02 0.00 0.00 0.00 0.00 61.98 59.28 2ony s VAL 154 Cb 0.01 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2ony s VAL 154 CO -0.03 -0.73 0.26 -0.76 0.00 0.00 0.00 175.10 173.84 2ony s LEU 155 N 0.32 4.35 0.54 3.92 1.43 -0.21 -4.95 118.68 124.08 2ony s LEU 155 Ca 0.14 0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 53.28 2ony s LEU 155 Cb -0.23 -2.93 -0.07 0.00 0.03 0.00 0.00 46.19 43.00 2ony s LEU 155 CO -0.04 0.09 1.01 -2.16 0.23 0.00 0.00 176.35 175.47 2ony s PRO 156 N -3.01 3.77 0.13 1.29 0.04 -1.26 -1.99 135.00 133.97 2ony s PRO 156 Ca 0.35 1.03 -0.21 0.00 0.04 0.00 0.00 61.00 62.21 2ony s PRO 156 Cb -0.12 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.37 2ony s PRO 156 CO 0.28 -0.43 0.52 -1.50 0.04 0.00 0.00 177.00 175.92 2ony s ILE 157 N -2.58 0.03 -0.28 0.56 2.07 -1.11 -4.75 121.20 115.13 2ony s ILE 157 Ca 0.60 -0.23 -0.00 0.00 -1.41 0.00 0.00 60.65 59.61 2ony s ILE 157 Cb -0.12 -1.06 0.14 0.00 0.13 0.00 0.00 42.46 41.56 2ony s ILE 157 CO 0.33 -0.13 0.33 -0.62 -1.91 0.00 0.00 174.94 172.94 2ony s ASP 158 N -2.66 1.15 0.16 4.50 -1.08 -0.82 -3.12 116.67 114.80 2ony s ASP 158 Ca 0.01 -0.53 0.12 0.00 -0.52 0.00 0.00 52.55 51.63 2ony s ASP 158 Cb 0.00 0.73 0.62 0.00 -1.46 0.00 0.00 42.92 42.81 2ony s ASP 158 CO -0.11 -0.37 1.36 1.33 0.52 0.00 0.00 175.17 177.90 2ony n VAL 159 N 5.33 1.47 0.14 1.11 0.24 -1.26 -1.75 118.33 123.60 2ony n VAL 159 Ca -0.02 0.60 0.00 0.00 -2.04 0.00 0.00 64.34 62.89 2ony n VAL 159 Cb 0.48 -1.59 0.13 0.00 -1.47 0.00 0.00 33.84 31.38 2ony n VAL 159 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 2ony h HIS 160 N 0.00 0.00 -3.51 6.34 3.86 -1.94 -3.41 115.15 116.49 2ony h HIS 160 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 2ony h HIS 160 Cb 0.02 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 2ony h HIS 160 CO 0.00 0.61 0.29 -0.65 0.86 0.00 0.00 177.93 179.04 2ony s GLN 161 N -3.27 4.62 0.56 2.45 -1.52 -0.72 -4.91 119.66 116.87 2ony s GLN 161 Ca 0.01 1.31 0.20 0.00 -1.95 0.00 0.00 55.36 54.93 2ony s GLN 161 Cb 0.10 -3.38 1.09 0.00 -0.22 0.00 0.00 33.01 30.61 2ony s GLN 161 CO 0.75 0.22 1.58 -1.35 -0.25 0.00 0.00 175.29 176.24 2ony h PRO 162 N 5.67 0.00 -2.35 2.91 0.11 -1.87 -1.78 132.00 134.69 2ony h PRO 162 Ca -0.43 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.09 2ony h PRO 162 Cb 1.21 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.92 2ony h PRO 162 CO 0.72 0.00 -0.83 1.04 -0.21 0.00 0.00 178.00 178.72 2ony n GLN 163 N -2.56 1.33 -0.19 1.05 6.02 -1.26 -4.87 117.38 116.90 2ony n GLN 163 Ca -0.01 -3.88 0.10 0.00 -0.01 0.00 0.00 57.00 53.20 2ony n GLN 163 Cb 0.46 -1.82 0.18 0.00 1.02 0.00 0.00 30.24 30.08 2ony n GLN 163 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2ony n PRO 164 N 1.68 -0.04 0.10 -1.09 -0.02 -0.67 -0.19 135.00 134.77 2ony n PRO 164 Ca 0.25 0.81 0.10 0.00 -2.02 0.00 0.00 63.50 62.64 2ony n PRO 164 Cb 0.45 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 2ony n PRO 164 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2ony h LEU 165 N 0.00 0.00 0.00 2.45 3.38 -1.86 -2.19 115.31 117.10 2ony h LEU 165 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2ony h LEU 165 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2ony h LEU 165 CO -0.50 0.06 0.00 0.61 0.09 0.00 0.00 178.44 178.70 2ony n GLY 166 N 1.20 -0.08 0.00 0.83 0.00 0.74 -4.76 105.19 103.11 2ony n GLY 166 Ca -0.01 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.74 2ony n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ony n ALA 167 N -0.81 -0.16 -3.53 4.61 0.00 -1.26 -4.50 120.51 114.85 2ony n ALA 167 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2ony n ALA 167 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2ony n ALA 167 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ony s GLY 168 N -1.00 2.95 0.06 0.00 0.00 -1.26 -5.05 107.32 103.02 2ony s GLY 168 Ca 0.00 -3.66 -0.22 0.00 0.00 0.00 0.00 44.72 40.84 2ony s GLY 168 CO 0.00 1.22 0.65 -1.35 0.00 0.00 0.00 173.10 173.62 2ony s SER 169 N 0.71 7.13 0.64 1.64 1.04 -1.26 -4.95 113.70 118.65 2ony s SER 169 Ca 0.25 1.35 0.37 0.00 0.48 0.00 0.00 55.95 58.40 2ony s SER 169 Cb -0.11 -2.41 2.09 0.00 0.10 0.00 0.00 66.02 65.69 2ony s SER 169 CO -0.09 0.17 2.26 -0.65 0.98 0.00 0.00 173.24 175.90 2ony h PRO 170 N 5.01 0.00 -6.43 4.02 0.11 -1.97 -3.43 132.00 129.32 2ony h PRO 170 Ca -0.47 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.10 2ony h PRO 170 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.32 2ony h PRO 170 CO 0.67 0.00 0.81 0.00 -0.21 0.00 0.00 178.00 179.27 2ony s ALA 171 N -4.34 3.58 -0.07 -0.75 0.00 -1.26 -4.96 121.76 113.96 2ony s ALA 171 Ca -0.05 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 2ony s ALA 171 Cb 0.13 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 2ony s ALA 171 CO 0.45 -0.83 1.87 -2.14 0.00 0.00 0.00 175.76 175.10 2ony s PRO 172 N 2.04 3.94 0.13 0.00 0.02 -1.26 -4.99 135.00 134.87 2ony s PRO 172 Ca 0.64 2.25 0.11 0.00 0.02 0.00 0.00 61.00 64.02 2ony s PRO 172 Cb -0.33 -4.13 -0.04 0.00 0.02 0.00 0.00 34.50 30.02 2ony s PRO 172 CO 0.28 -1.16 -0.27 -0.51 -0.33 0.00 0.00 177.00 175.01 2ony s LEU 173 N 5.07 2.31 0.45 -5.54 1.43 -1.26 -3.98 118.68 117.16 2ony s LEU 173 Ca 0.83 -0.74 -0.13 0.00 -1.03 0.00 0.00 54.13 53.07 2ony s LEU 173 Cb -0.36 -1.22 -0.07 0.00 0.03 0.00 0.00 46.19 44.57 2ony s LEU 173 CO 0.35 0.18 0.85 -2.16 0.23 0.00 0.00 176.35 175.80 2ony s PRO 174 N -2.02 3.83 0.77 1.29 0.04 -1.26 -5.14 135.00 132.51 2ony s PRO 174 Ca 0.14 0.64 -0.11 0.00 0.04 0.00 0.00 61.00 61.71 2ony s PRO 174 Cb -0.10 -2.30 0.05 0.00 0.04 0.00 0.00 34.50 32.19 2ony s PRO 174 CO 0.06 -0.13 1.08 0.00 0.04 0.00 0.00 177.00 178.05 2ony s ALA 175 N -2.47 2.35 -0.47 8.56 0.00 0.09 -4.63 121.76 125.19 2ony s ALA 175 Ca 0.54 -0.05 0.24 0.00 0.00 0.00 0.00 51.96 52.68 2ony s ALA 175 Cb -0.10 -3.15 0.26 0.00 0.00 0.00 0.00 23.12 20.12 2ony s ALA 175 CO 0.32 -1.60 1.31 -0.44 0.00 0.00 0.00 175.76 175.35 2ony h ASP 176 N -0.99 0.00 -4.49 0.00 5.19 -1.68 -0.90 116.42 113.55 2ony h ASP 176 Ca -0.46 -0.08 0.11 0.00 -0.62 0.00 0.00 57.03 55.98 2ony h ASP 176 Cb 1.25 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.58 2ony h ASP 176 CO 0.57 0.04 0.52 0.00 -3.12 0.00 0.00 179.24 177.26 2ony s ALA 177 N -3.24 -1.87 0.09 3.45 0.00 -1.18 -2.97 121.76 116.04 2ony s ALA 177 Ca 0.04 1.21 0.07 0.00 0.00 0.00 0.00 51.96 53.29 2ony s ALA 177 Cb 0.11 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 2ony s ALA 177 CO 0.73 -0.57 -0.19 -0.51 0.00 0.00 0.00 175.76 175.21 2ony s LEU 178 N -2.07 2.28 -0.03 0.00 1.43 0.20 -2.56 118.68 117.94 2ony s LEU 178 Ca 0.03 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2ony s LEU 178 Cb -0.01 -0.78 0.03 0.00 0.03 0.00 0.00 46.19 45.46 2ony s LEU 178 CO -0.05 0.03 0.00 -0.69 0.23 0.00 0.00 176.35 175.86 2ony s VAL 179 N -1.16 0.18 -0.12 -1.59 1.01 -0.58 -0.78 120.40 117.37 2ony s VAL 179 Ca 0.04 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 2ony s VAL 179 Cb -0.10 -0.28 0.06 0.00 0.00 0.00 0.00 36.38 36.06 2ony s VAL 179 CO 0.03 0.15 0.26 -0.55 0.00 0.00 0.00 175.10 174.99 2ony s SER 180 N 1.05 0.03 -0.14 3.32 0.15 -0.47 -0.84 113.70 116.80 2ony s SER 180 Ca -0.09 0.57 0.01 0.00 0.70 0.00 0.00 55.95 57.14 2ony s SER 180 Cb -0.13 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 64.76 2ony s SER 180 CO -0.02 -0.20 -0.16 0.00 1.20 0.00 0.00 173.24 174.06 2ony s ALA 181 N 1.83 1.90 -1.52 5.45 0.00 -1.25 -0.20 121.76 127.97 2ony s ALA 181 Ca -0.04 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 2ony s ALA 181 Cb -0.11 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.01 2ony s ALA 181 CO -0.09 -0.28 0.45 1.19 0.00 0.00 0.00 175.76 177.04 2ony n PHE 182 N 4.56 -1.75 0.00 0.00 3.01 0.22 -4.94 117.46 118.56 2ony n PHE 182 Ca -0.18 0.40 0.00 0.00 1.01 0.00 0.00 57.45 58.67 2ony n PHE 182 Cb 0.50 -4.07 0.00 0.00 -0.01 0.00 0.00 39.48 35.91 2ony n PHE 182 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ony n LEU 184 N -2.14 0.00 0.31 0.00 4.77 -1.26 -0.21 117.00 118.47 2ony n LEU 184 Ca 0.00 0.80 0.19 0.00 -0.03 0.00 0.00 56.01 56.97 2ony n LEU 184 Cb 0.00 -0.38 0.97 0.00 -2.33 0.00 0.00 43.42 41.67 2ony n LEU 184 CO 0.00 -0.38 1.15 1.05 -1.33 0.00 0.00 177.39 177.88 2ony h GLU 185 N 0.00 0.00 -0.02 3.23 9.09 -1.91 0.87 114.58 125.85 2ony h GLU 185 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2ony h GLU 185 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2ony h GLU 185 CO 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 179.01 179.05 2ony n ALA 186 N -2.05 2.59 -0.49 1.06 0.00 0.71 -2.68 120.51 119.65 2ony n ALA 186 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2ony n ALA 186 Cb 0.26 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2ony n ALA 186 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2ony n VAL 187 N 0.20 0.45 -4.86 0.00 0.24 0.23 -4.84 118.33 109.75 2ony n VAL 187 Ca 0.18 -0.48 -0.33 0.00 -2.04 0.00 0.00 64.34 61.68 2ony n VAL 187 Cb 0.37 0.82 -0.15 0.00 -1.47 0.00 0.00 33.84 33.42 2ony n VAL 187 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2ony s SER 188 N -0.45 3.88 0.37 -1.34 0.01 -0.78 -4.99 113.70 110.39 2ony s SER 188 Ca 0.00 -0.34 0.20 0.00 1.31 0.00 0.00 55.95 57.12 2ony s SER 188 Cb 0.00 -1.44 0.55 0.00 0.21 0.00 0.00 66.02 65.34 2ony s SER 188 CO 0.00 0.20 1.67 1.55 0.41 0.00 0.00 173.24 177.06 2ony h PRO 189 N 6.47 0.00 -3.52 12.44 0.13 -1.92 -3.19 132.00 142.42 2ony h PRO 189 Ca -0.28 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.74 2ony h PRO 189 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2ony h PRO 189 CO 0.53 0.34 0.03 0.16 -0.23 0.00 0.00 178.00 178.84 2ony s ASP 190 N -6.34 0.28 0.44 1.44 1.47 -1.26 -4.65 116.67 108.06 2ony s ASP 190 Ca 0.02 -1.17 0.13 0.00 1.18 0.00 0.00 52.55 52.71 2ony s ASP 190 Cb 0.09 0.73 1.02 0.00 -0.34 0.00 0.00 42.92 44.42 2ony s ASP 190 CO 0.69 -1.42 2.01 -0.07 0.68 0.00 0.00 175.17 177.05 2ony h LEU 191 N 2.09 0.36 -0.28 2.11 3.38 -1.93 -2.42 115.31 118.61 2ony h LEU 191 Ca -0.28 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.51 2ony h LEU 191 Cb 1.25 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2ony h LEU 191 CO 0.37 0.23 -0.54 0.00 0.09 0.00 0.00 178.44 178.59 2ony h ALA 192 N 1.72 0.44 -0.38 1.53 0.00 -1.99 -1.49 119.26 119.11 2ony h ALA 192 Ca 0.24 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2ony h ALA 192 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2ony h ALA 192 CO -0.06 0.65 0.17 0.77 0.00 0.00 0.00 179.25 180.78 2ony h SER 193 N 0.64 0.50 -0.45 0.00 0.02 -1.88 -0.30 113.55 112.08 2ony h SER 193 Ca 0.01 -0.14 0.09 0.00 -0.84 0.00 0.00 61.79 60.91 2ony h SER 193 Cb 1.15 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.49 2ony h SER 193 CO 0.12 0.50 -0.01 0.15 -1.14 0.00 0.00 176.83 176.45 2ony h PHE 194 N 0.47 -0.05 -0.51 3.45 3.57 -1.34 0.27 116.94 122.79 2ony h PHE 194 Ca 0.13 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.68 2ony h PHE 194 Cb 0.14 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2ony h PHE 194 CO -0.01 -0.11 0.32 0.37 -2.23 0.00 0.00 178.31 176.65 2ony h GLN 195 N 0.10 0.63 0.01 1.11 5.75 -0.77 -1.90 115.11 120.03 2ony h GLN 195 Ca 0.22 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2ony h GLN 195 Cb 0.33 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.74 2ony h GLN 195 CO -0.38 0.42 -0.00 0.00 -2.65 0.00 0.00 178.83 176.21 2ony h ARG 196 N 0.65 -0.01 -0.93 1.69 3.08 0.06 -1.55 114.38 117.37 2ony h ARG 196 Ca 0.20 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.45 2ony h ARG 196 Cb -0.03 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.95 2ony h ARG 196 CO -0.07 0.32 0.61 0.00 -1.07 0.00 0.00 179.97 179.76 2ony h ALA 197 N 0.66 2.15 -0.28 0.04 0.00 -0.40 0.62 119.26 122.04 2ony h ALA 197 Ca -0.00 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 2ony h ALA 197 Cb 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ony h ALA 197 CO 0.00 -0.45 -0.49 1.25 0.00 0.00 0.00 179.25 179.56 2ony h LEU 198 N 0.45 0.85 -0.83 0.00 5.85 -1.10 -1.98 115.31 118.56 2ony h LEU 198 Ca 0.50 -0.43 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2ony h LEU 198 Cb 1.17 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 2ony h LEU 198 CO -0.21 1.19 0.31 0.44 -0.34 0.00 0.00 178.44 179.83 2ony h ASP 199 N 0.61 1.08 0.14 1.25 3.32 0.11 -1.98 116.42 120.95 2ony h ASP 199 Ca 0.03 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2ony h ASP 199 Cb 1.06 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2ony h ASP 199 CO 0.11 0.96 -0.07 0.45 -1.72 0.00 0.00 179.24 178.97 2ony h HIS 200 N 1.14 -0.17 0.00 4.55 3.86 -0.26 -3.00 115.15 121.27 2ony h HIS 200 Ca 0.26 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.39 2ony h HIS 200 Cb 0.22 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 2ony h HIS 200 CO 0.02 0.01 -0.36 -0.84 0.86 0.00 0.00 177.93 177.61 2ony h ILE 201 N -0.31 1.21 0.00 2.45 3.07 -1.32 -2.37 117.51 120.23 2ony h ILE 201 Ca -0.02 -1.26 0.00 0.00 1.55 0.00 0.00 64.86 65.13 2ony h ILE 201 Cb 0.25 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 2ony h ILE 201 CO 0.03 0.35 0.00 0.74 -1.05 0.00 0.00 178.15 178.22 2ony h THR 202 N 0.00 0.00 0.00 0.16 2.02 -1.21 -0.96 112.91 112.92 2ony h THR 202 Ca -0.00 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2ony h THR 202 Cb 0.66 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2ony h THR 202 CO 0.05 0.00 -0.08 0.71 0.37 0.00 0.00 175.52 176.56 2ony h THR 203 N 0.00 0.18 0.00 3.16 1.35 -1.41 -2.87 112.91 113.32 2ony h THR 203 Ca 0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 2ony h THR 203 Cb 0.09 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 2ony h THR 203 CO 0.00 0.08 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.25 2ony h LEU 204 N 0.00 0.00 -9.22 3.87 3.38 -1.32 -3.45 115.31 108.57 2ony h LEU 204 Ca -0.00 -0.01 -0.60 0.00 0.09 0.00 0.00 57.88 57.36 2ony h LEU 204 Cb 0.78 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.41 2ony h LEU 204 CO 0.01 0.00 -0.43 -0.22 0.09 0.00 0.00 178.44 177.90 2ony s LEU 205 N -4.59 4.19 0.25 1.67 2.96 -1.09 -0.73 118.68 121.34 2ony s LEU 205 Ca 0.10 0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 54.01 2ony s LEU 205 Cb 0.12 -2.20 -0.10 0.00 0.50 0.00 0.00 46.19 44.51 2ony s LEU 205 CO 0.61 0.11 1.43 -0.60 -1.32 0.00 0.00 176.35 176.57 2ony s ARG 206 N 0.66 4.28 0.18 1.98 3.52 -0.34 -4.86 118.95 124.35 2ony s ARG 206 Ca 0.11 2.29 -0.32 0.00 -0.13 0.00 0.00 55.73 57.68 2ony s ARG 206 Cb -0.12 -3.11 -0.16 0.00 -1.56 0.00 0.00 34.95 30.00 2ony s ARG 206 CO 0.02 -0.40 1.05 -2.30 -0.81 0.00 0.00 175.30 172.86 2ony n PRO 207 N 2.24 0.96 -0.49 5.12 -0.02 -1.26 0.88 135.00 142.42 2ony n PRO 207 Ca 0.06 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2ony n PRO 207 Cb 0.40 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2ony n PRO 207 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ony n GLY 208 N 1.85 1.36 3.45 -1.23 0.00 0.49 -5.02 105.19 106.09 2ony n GLY 208 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2ony n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ony n GLY 209 N -2.00 -3.10 3.12 -0.02 0.00 0.25 -4.72 105.19 98.72 2ony n GLY 209 Ca 0.00 -1.44 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 2ony n GLY 209 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ony s HIS 210 N -2.77 1.37 -0.10 1.61 3.76 -1.16 -1.96 115.29 116.05 2ony s HIS 210 Ca 0.71 -0.28 0.03 0.00 -0.15 0.00 0.00 55.06 55.37 2ony s HIS 210 Cb -0.08 -0.89 0.00 0.00 1.11 0.00 0.00 32.58 32.72 2ony s HIS 210 CO 0.56 -0.04 -0.21 -1.17 -0.85 0.00 0.00 174.74 173.02 2ony s LEU 211 N -0.28 1.98 -0.38 0.89 2.96 0.20 0.62 118.68 124.68 2ony s LEU 211 Ca 0.04 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2ony s LEU 211 Cb -0.07 -1.28 0.09 0.00 0.50 0.00 0.00 46.19 45.43 2ony s LEU 211 CO -0.00 0.12 0.14 -0.76 -1.32 0.00 0.00 176.35 174.53 2ony s LEU 212 N 0.47 4.85 -0.20 -0.68 1.43 0.04 -0.57 118.68 124.03 2ony s LEU 212 Ca -0.17 -1.79 -0.06 0.00 -1.03 0.00 0.00 54.13 51.08 2ony s LEU 212 Cb -0.17 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2ony s LEU 212 CO 0.07 -0.46 0.03 -0.22 0.23 0.00 0.00 176.35 176.00 2ony s LEU 213 N 1.18 3.45 -0.04 1.79 2.96 -0.30 -1.37 118.68 126.36 2ony s LEU 213 Ca 0.04 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.90 2ony s LEU 213 Cb -0.22 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 2ony s LEU 213 CO -0.03 0.08 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.23 2ony s ILE 214 N 0.89 1.83 0.29 6.68 1.01 0.72 -0.03 121.20 132.59 2ony s ILE 214 Ca 0.02 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.52 2ony s ILE 214 Cb -0.14 -1.54 0.06 0.00 0.01 0.00 0.00 42.46 40.85 2ony s ILE 214 CO 0.02 0.52 0.90 -0.83 0.00 0.00 0.00 174.94 175.55 2ony s GLY 215 N -0.29 0.22 0.16 6.18 0.00 -0.79 0.69 107.32 113.48 2ony s GLY 215 Ca 0.02 -0.53 -0.20 0.00 0.00 0.00 0.00 44.72 44.01 2ony s GLY 215 CO 0.01 0.85 0.67 0.00 0.00 0.00 0.00 173.10 174.63 2ony s ALA 216 N -2.35 3.50 -0.19 3.20 0.00 -1.26 -0.71 121.76 123.95 2ony s ALA 216 Ca 0.18 0.13 -0.05 0.00 0.00 0.00 0.00 51.96 52.21 2ony s ALA 216 Cb -0.04 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 2ony s ALA 216 CO 0.08 0.36 0.01 -0.51 0.00 0.00 0.00 175.76 175.70 2ony s LEU 217 N -1.55 3.39 -1.42 0.00 1.43 0.14 -4.58 118.68 116.09 2ony s LEU 217 Ca 0.37 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.24 2ony s LEU 217 Cb -0.19 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.22 2ony s LEU 217 CO 0.21 0.10 1.07 -0.62 0.23 0.00 0.00 176.35 177.35 2ony n GLU 218 N 3.98 -6.73 -4.06 1.70 -0.58 0.79 -1.54 120.64 114.20 2ony n GLU 218 Ca -0.17 0.72 -0.36 0.00 -0.42 0.00 0.00 57.16 56.93 2ony n GLU 218 Cb 0.52 -5.68 -0.07 0.00 -0.57 0.00 0.00 31.44 25.63 2ony n GLU 218 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2ony s GLU 219 N -6.38 3.33 -0.00 3.49 2.12 -1.26 -4.13 118.70 115.86 2ony s GLU 219 Ca 0.56 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.65 2ony s GLU 219 Cb -0.26 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 2ony s GLU 219 CO 0.78 0.71 0.01 -1.13 -0.54 0.00 0.00 175.26 175.09 2ony n SER 220 N 2.16 3.29 -3.46 -1.70 3.41 -1.26 -2.24 113.62 113.82 2ony n SER 220 Ca -0.19 -0.17 -0.13 0.00 -0.26 0.00 0.00 58.87 58.12 2ony n SER 220 Cb 0.54 1.01 -0.03 0.00 -0.26 0.00 0.00 64.21 65.47 2ony n SER 220 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 2ony s TRP 221 N -1.70 -0.55 -0.24 7.33 1.48 -1.26 0.06 118.94 124.05 2ony s TRP 221 Ca -0.00 0.55 -0.26 0.00 -1.06 0.00 0.00 56.10 55.33 2ony s TRP 221 Cb 0.00 0.51 0.08 0.00 -1.16 0.00 0.00 33.47 32.91 2ony s TRP 221 CO 0.02 -0.73 0.80 1.52 -4.06 0.00 0.00 176.95 174.49 2ony s TYR 222 N -2.89 -0.68 0.21 1.66 -0.85 -0.96 -2.69 117.35 111.14 2ony s TYR 222 Ca -0.02 1.60 -0.08 0.00 -0.52 0.00 0.00 57.07 58.05 2ony s TYR 222 Cb -0.01 0.32 -0.07 0.00 0.38 0.00 0.00 41.96 42.58 2ony s TYR 222 CO -0.06 -0.37 0.50 -0.51 -1.52 0.00 0.00 175.55 173.59 2ony s LEU 223 N 0.09 4.19 -0.37 -3.49 1.43 -0.19 -1.95 118.68 118.40 2ony s LEU 223 Ca -0.01 0.81 0.12 0.00 -1.03 0.00 0.00 54.13 54.02 2ony s LEU 223 Cb -0.04 -3.56 0.36 0.00 0.03 0.00 0.00 46.19 42.98 2ony s LEU 223 CO 0.00 -0.04 0.76 0.00 0.23 0.00 0.00 176.35 177.30 2ony n ALA 224 N -0.11 2.21 0.00 4.21 0.00 -0.42 -4.79 120.51 121.60 2ony n ALA 224 Ca -0.00 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 50.03 2ony n ALA 224 Cb 0.52 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2ony n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ony n GLY 225 N 0.23 1.22 0.23 0.00 0.00 -1.26 -1.49 105.19 104.13 2ony n GLY 225 Ca 0.24 -0.69 0.15 0.00 0.00 0.00 0.00 46.02 45.71 2ony n GLY 225 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ony h GLU 226 N 0.00 0.00 -6.75 1.61 4.39 -1.97 -3.44 114.58 108.42 2ony h GLU 226 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 2ony h GLU 226 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2ony h GLU 226 CO 0.00 0.00 0.36 0.00 -1.16 0.00 0.00 179.01 178.21 2ony s ALA 227 N -3.46 3.34 -0.43 3.43 0.00 -1.19 -4.99 121.76 118.47 2ony s ALA 227 Ca 0.04 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.66 2ony s ALA 227 Cb 0.08 -3.22 0.12 0.00 0.00 0.00 0.00 23.12 20.11 2ony s ALA 227 CO 0.55 0.19 0.20 0.50 0.00 0.00 0.00 175.76 177.20 2ony s ARG 228 N -1.19 1.41 0.18 0.00 3.00 -1.26 -1.31 118.95 119.78 2ony s ARG 228 Ca 0.41 -2.01 -0.30 0.00 -1.00 0.00 0.00 55.73 52.83 2ony s ARG 228 Cb -0.26 -2.66 -0.08 0.00 0.00 0.00 0.00 34.95 31.95 2ony s ARG 228 CO 0.32 -1.09 0.94 -0.51 0.00 0.00 0.00 175.30 174.97 2ony s LEU 229 N 0.44 4.58 0.13 -0.88 2.01 -0.82 -4.95 118.68 119.20 2ony s LEU 229 Ca 0.15 1.87 -0.11 0.00 0.01 0.00 0.00 54.13 56.05 2ony s LEU 229 Cb -0.23 -3.59 -0.06 0.00 0.01 0.00 0.00 46.19 42.32 2ony s LEU 229 CO -0.04 0.06 0.47 -0.89 1.01 0.00 0.00 176.35 176.96 2ony s THR 230 N -0.64 4.99 0.07 5.49 2.01 -1.26 -2.27 115.64 124.03 2ony s THR 230 Ca 0.43 0.55 0.03 0.00 0.31 0.00 0.00 61.69 63.01 2ony s THR 230 Cb -0.25 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 2ony s THR 230 CO 0.31 0.20 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.66 2ony s VAL 231 N -1.51 0.71 -0.34 3.82 1.01 0.11 -4.69 120.40 119.51 2ony s VAL 231 Ca 0.38 -1.49 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 2ony s VAL 231 Cb -0.14 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2ony s VAL 231 CO 0.19 -0.57 0.44 0.54 0.00 0.00 0.00 175.10 175.70 2ony s VAL 232 N -2.33 5.09 0.05 2.92 0.11 -1.09 -4.39 120.40 120.76 2ony s VAL 232 Ca 0.01 0.24 -0.31 0.00 -2.93 0.00 0.00 61.98 58.99 2ony s VAL 232 Cb -0.04 -3.89 -0.07 0.00 -1.53 0.00 0.00 36.38 30.86 2ony s VAL 232 CO -0.01 -0.14 1.48 -2.16 -3.33 0.00 0.00 175.10 170.94 2ony s PRO 233 N 2.21 4.26 0.16 1.54 0.04 -0.95 -4.66 135.00 137.60 2ony s PRO 233 Ca 0.15 2.11 0.08 0.00 0.04 0.00 0.00 61.00 63.38 2ony s PRO 233 Cb -0.16 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 2ony s PRO 233 CO 0.12 -0.60 -0.16 0.14 0.04 0.00 0.00 177.00 176.54 2ony s VAL 234 N 2.20 1.65 0.39 -0.36 -7.23 -1.26 -4.80 120.40 110.99 2ony s VAL 234 Ca 0.67 -1.90 0.08 0.00 -1.81 0.00 0.00 61.98 59.02 2ony s VAL 234 Cb -0.35 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 2ony s VAL 234 CO 0.29 -0.39 0.26 -0.94 -0.31 0.00 0.00 175.10 174.01 2ony s SER 235 N -2.70 4.81 0.18 4.85 1.04 -1.26 -0.15 113.70 120.47 2ony s SER 235 Ca 0.15 -0.83 -0.13 0.00 0.48 0.00 0.00 55.95 55.62 2ony s SER 235 Cb -0.05 -0.61 0.15 0.00 0.10 0.00 0.00 66.02 65.61 2ony s SER 235 CO 0.05 -0.52 1.78 -0.08 0.98 0.00 0.00 173.24 175.46 2ony h GLU 236 N 1.27 0.49 -0.67 4.02 4.81 -1.99 -0.64 114.58 121.88 2ony h GLU 236 Ca -0.43 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.70 2ony h GLU 236 Cb 1.26 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 2ony h GLU 236 CO 0.62 0.32 0.11 0.93 -0.73 0.00 0.00 179.01 180.26 2ony h GLU 237 N 0.50 1.11 -0.48 1.92 4.39 -1.98 0.17 114.58 120.21 2ony h GLU 237 Ca 0.23 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 2ony h GLU 237 Cb 0.15 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2ony h GLU 237 CO -0.17 1.01 0.12 0.93 -1.16 0.00 0.00 179.01 179.74 2ony h GLU 238 N 1.03 0.71 -0.20 2.33 5.08 -1.84 0.19 114.58 121.88 2ony h GLU 238 Ca 0.20 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2ony h GLU 238 Cb 0.44 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2ony h GLU 238 CO 0.01 0.64 -0.19 0.28 -1.00 0.00 0.00 179.01 178.76 2ony h VAL 239 N 0.69 1.33 0.58 3.13 2.07 -0.50 -1.70 116.25 121.85 2ony h VAL 239 Ca 0.16 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 2ony h VAL 239 Cb 0.25 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2ony h VAL 239 CO -0.00 0.41 -0.41 -0.09 0.02 0.00 0.00 177.57 177.50 2ony h ARG 240 N 0.17 -0.92 -0.73 1.57 2.43 -0.25 -1.32 114.38 115.32 2ony h ARG 240 Ca 0.03 0.06 0.16 0.00 -0.81 0.00 0.00 59.98 59.43 2ony h ARG 240 Cb 0.73 0.21 -0.11 0.00 -0.42 0.00 0.00 29.97 30.38 2ony h ARG 240 CO 0.05 -0.61 0.13 0.93 -1.51 0.00 0.00 179.97 178.96 2ony h GLU 241 N -0.96 0.21 -0.48 0.20 5.08 -0.99 -1.07 114.58 116.58 2ony h GLU 241 Ca -0.07 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2ony h GLU 241 Cb 0.79 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2ony h GLU 241 CO 0.04 0.14 0.30 0.00 -1.00 0.00 0.00 179.01 178.49 2ony h ALA 242 N 1.63 0.61 -0.73 3.43 0.00 -0.94 0.12 119.26 123.38 2ony h ALA 242 Ca 0.41 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.32 2ony h ALA 242 Cb 0.71 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2ony h ALA 242 CO -0.54 0.00 0.49 -0.07 0.00 0.00 0.00 179.25 179.12 2ony h LEU 243 N 0.60 0.82 0.25 0.00 3.38 -0.06 -1.91 115.31 118.39 2ony h LEU 243 Ca 0.19 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2ony h LEU 243 Cb -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2ony h LEU 243 CO -0.07 0.59 -0.12 0.58 0.09 0.00 0.00 178.44 179.51 2ony h VAL 244 N 0.97 0.73 0.00 1.22 2.07 -0.55 -1.38 116.25 119.30 2ony h VAL 244 Ca 0.28 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2ony h VAL 244 Cb -0.07 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2ony h VAL 244 CO -0.07 0.15 0.42 0.03 0.02 0.00 0.00 177.57 178.13 2ony h ARG 245 N -0.82 0.00 -0.56 1.57 3.08 -0.50 0.92 114.38 118.07 2ony h ARG 245 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2ony h ARG 245 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2ony h ARG 245 CO 0.06 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.39 2ony n SER 246 N -2.62 4.81 -0.56 7.04 7.64 -0.74 -4.96 113.62 124.24 2ony n SER 246 Ca -0.01 -2.62 -0.05 0.00 1.01 0.00 0.00 58.87 57.20 2ony n SER 246 Cb 0.46 -0.58 -0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2ony n SER 246 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ony n GLY 247 N 0.75 0.22 3.70 0.23 0.00 0.32 -4.99 105.19 105.42 2ony n GLY 247 Ca 0.25 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 2ony n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ony s TYR 248 N -2.28 2.91 -0.35 1.61 2.02 -0.53 -1.81 117.35 118.91 2ony s TYR 248 Ca 0.01 -0.12 -0.06 0.00 -0.37 0.00 0.00 57.07 56.53 2ony s TYR 248 Cb -0.00 -1.39 0.05 0.00 -0.40 0.00 0.00 41.96 40.22 2ony s TYR 248 CO 0.01 0.53 0.13 0.21 -1.57 0.00 0.00 175.55 174.86 2ony s LYS 249 N -3.10 2.56 -0.33 -0.62 2.20 0.04 -4.31 119.74 116.18 2ony s LYS 249 Ca 0.29 -1.28 -0.28 0.00 -0.36 0.00 0.00 55.97 54.34 2ony s LYS 249 Cb -0.09 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 2ony s LYS 249 CO 0.20 -0.74 2.00 0.08 -0.36 0.00 0.00 175.35 176.53 2ony s VAL 250 N 1.38 3.26 0.07 4.02 1.01 -1.26 -1.69 120.40 127.19 2ony s VAL 250 Ca -0.00 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.32 2ony s VAL 250 Cb -0.20 -3.40 -0.19 0.00 0.00 0.00 0.00 36.38 32.59 2ony s VAL 250 CO 0.02 -0.28 1.20 0.03 0.00 0.00 0.00 175.10 176.07 2ony h ARG 251 N 14.45 0.00 -1.74 2.72 2.47 0.14 -3.48 114.38 128.95 2ony h ARG 251 Ca -0.34 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.40 2ony h ARG 251 Cb 1.20 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 29.30 2ony h ARG 251 CO 1.04 0.88 0.39 0.34 0.56 0.00 0.00 179.97 183.18 2ony s ASP 252 N -6.59 -0.50 -0.24 7.04 2.15 -0.65 -4.95 116.67 112.93 2ony s ASP 252 Ca 0.00 0.62 -0.05 0.00 0.43 0.00 0.00 52.55 53.55 2ony s ASP 252 Cb 0.09 0.51 0.12 0.00 -0.30 0.00 0.00 42.92 43.35 2ony s ASP 252 CO 0.81 -0.40 0.46 -0.22 -0.17 0.00 0.00 175.17 175.65 2ony s LEU 253 N -0.90 -0.82 0.24 -1.34 2.96 -1.26 0.14 118.68 117.71 2ony s LEU 253 Ca -0.04 0.81 0.10 0.00 -0.22 0.00 0.00 54.13 54.78 2ony s LEU 253 Cb -0.01 1.53 -0.05 0.00 0.50 0.00 0.00 46.19 48.16 2ony s LEU 253 CO 0.03 -0.26 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.50 2ony s ARG 254 N 2.67 1.53 0.05 1.98 0.52 -0.04 -4.97 118.95 120.69 2ony s ARG 254 Ca 0.06 -1.67 0.05 0.00 -0.52 0.00 0.00 55.73 53.65 2ony s ARG 254 Cb -0.14 -1.53 -0.02 0.00 0.52 0.00 0.00 34.95 33.78 2ony s ARG 254 CO -0.16 0.28 -0.16 0.99 0.02 0.00 0.00 175.30 176.28 2ony s THR 255 N -2.58 1.24 -0.17 0.02 2.01 -1.26 -1.00 115.64 113.89 2ony s THR 255 Ca 0.26 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 61.14 2ony s THR 255 Cb -0.04 -1.12 0.03 0.00 0.01 0.00 0.00 72.50 71.38 2ony s THR 255 CO 0.11 -0.01 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.45 2ony s TYR 256 N -0.94 2.13 -0.38 4.92 5.04 0.94 -4.97 117.35 124.08 2ony s TYR 256 Ca 0.02 -1.29 -0.25 0.00 -2.44 0.00 0.00 57.07 53.11 2ony s TYR 256 Cb -0.09 -1.54 0.02 0.00 0.35 0.00 0.00 41.96 40.70 2ony s TYR 256 CO 0.02 -0.68 0.88 0.42 -1.34 0.00 0.00 175.55 174.86 2ony s ILE 257 N 1.49 4.61 -0.16 3.14 1.01 -1.26 0.11 121.20 130.15 2ony s ILE 257 Ca 0.02 1.03 -0.35 0.00 0.00 0.00 0.00 60.65 61.35 2ony s ILE 257 Cb -0.14 -4.31 -0.12 0.00 0.01 0.00 0.00 42.46 37.89 2ony s ILE 257 CO -0.09 -0.56 1.92 0.80 0.00 0.00 0.00 174.94 177.01 2ony n MET 258 N 6.73 1.89 -0.95 2.79 1.56 -0.66 -4.94 117.12 123.54 2ony n MET 258 Ca 0.06 0.67 -0.31 0.00 -0.27 0.00 0.00 57.70 57.85 2ony n MET 258 Cb 0.48 -2.58 0.14 0.00 2.15 0.00 0.00 33.22 33.41 2ony n MET 258 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 2ony s PRO 259 N 4.41 1.49 0.18 2.12 0.02 -1.26 -4.92 135.00 137.03 2ony s PRO 259 Ca 0.96 1.34 -0.14 0.00 0.02 0.00 0.00 61.00 63.19 2ony s PRO 259 Cb -0.75 -1.80 0.09 0.00 0.02 0.00 0.00 34.50 32.06 2ony s PRO 259 CO 0.53 -2.24 1.82 0.00 -0.33 0.00 0.00 177.00 176.78 2ony h ALA 260 N -1.57 0.67 0.00 -1.55 0.00 -1.97 -2.29 119.26 112.55 2ony h ALA 260 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2ony h ALA 260 Cb 1.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2ony h ALA 260 CO 0.46 0.05 0.00 -2.39 0.00 0.00 0.00 179.25 177.38 2ony n HIS 261 N -4.77 0.00 -0.06 0.00 1.44 -1.26 -1.68 115.22 108.90 2ony n HIS 261 Ca 0.04 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.82 2ony n HIS 261 Cb 0.06 -0.08 0.19 0.00 0.12 0.00 0.00 29.99 30.27 2ony n HIS 261 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2ony n LEU 262 N -1.08 3.11 -4.42 2.39 4.77 -0.86 -4.74 117.00 116.16 2ony n LEU 262 Ca 0.14 -1.79 -0.44 0.00 -0.03 0.00 0.00 56.01 53.89 2ony n LEU 262 Cb 0.10 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 2ony n LEU 262 CO 0.13 0.74 0.80 -1.10 -1.33 0.00 0.00 177.39 176.63 2ony s GLN 263 N -1.07 3.51 0.00 3.23 -0.21 -0.67 -4.85 119.66 119.59 2ony s GLN 263 Ca 0.30 -1.79 0.24 0.00 0.02 0.00 0.00 55.36 54.13 2ony s GLN 263 Cb 0.16 -4.71 0.30 0.00 1.00 0.00 0.00 33.01 29.76 2ony s GLN 263 CO 0.22 -1.66 1.28 0.25 -2.12 0.00 0.00 175.29 173.26 2ony n THR 264 N 5.23 0.00 -0.05 -0.19 -2.24 -1.26 -4.96 114.28 110.82 2ony n THR 264 Ca 0.17 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2ony n THR 264 Cb 0.48 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 2ony n THR 264 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ony n GLY 265 N 1.39 0.54 0.07 3.38 0.00 -1.26 -4.91 105.19 104.40 2ony n GLY 265 Ca 0.10 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.27 2ony n GLY 265 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ony n VAL 266 N -2.00 0.00 -3.78 1.61 0.24 -1.26 -4.93 118.33 108.21 2ony n VAL 266 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 2ony n VAL 266 Cb 0.00 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 2ony n VAL 266 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2ony n ASP 267 N -0.99 -0.08 -1.09 -1.34 5.68 -1.26 -1.03 116.55 116.44 2ony n ASP 267 Ca 0.17 -1.02 0.05 0.00 -0.50 0.00 0.00 54.79 53.49 2ony n ASP 267 Cb 0.23 0.13 0.10 0.00 -1.14 0.00 0.00 41.12 40.43 2ony n ASP 267 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2ony n ASP 268 N -0.29 1.30 -4.69 -1.12 3.85 -1.10 -4.86 116.55 109.65 2ony n ASP 268 Ca 0.00 -2.81 -0.41 0.00 -0.71 0.00 0.00 54.79 50.86 2ony n ASP 268 Cb 0.04 -0.40 0.01 0.00 -1.35 0.00 0.00 41.12 39.42 2ony n ASP 268 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 2ony n VAL 269 N -0.21 2.56 -0.09 2.12 3.14 -1.26 -4.58 118.33 120.01 2ony n VAL 269 Ca 0.11 -0.50 -0.10 0.00 -2.96 0.00 0.00 64.34 60.89 2ony n VAL 269 Cb 0.95 -1.49 -0.13 0.00 -1.06 0.00 0.00 33.84 32.11 2ony n VAL 269 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2ony n LYS 270 N 0.04 1.03 -3.83 1.45 4.76 -0.59 -4.91 118.16 116.10 2ony n LYS 270 Ca 0.07 0.03 -0.07 0.00 -2.87 0.00 0.00 58.31 55.47 2ony n LYS 270 Cb 0.39 -1.44 0.02 0.00 -1.84 0.00 0.00 35.03 32.17 2ony n LYS 270 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2ony s GLY 271 N -5.38 0.29 0.01 0.72 0.00 -1.08 -1.65 107.32 100.23 2ony s GLY 271 Ca -0.14 -0.62 0.05 0.00 0.00 0.00 0.00 44.72 44.01 2ony s GLY 271 CO 0.65 0.64 -0.15 0.14 0.00 0.00 0.00 173.10 174.39 2ony s VAL 272 N -2.22 1.19 0.16 1.40 1.01 0.12 0.26 120.40 122.30 2ony s VAL 272 Ca 0.18 -0.80 0.11 0.00 0.00 0.00 0.00 61.98 61.46 2ony s VAL 272 Cb -0.04 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2ony s VAL 272 CO 0.09 0.21 -0.23 0.72 0.00 0.00 0.00 175.10 175.90 2ony s PHE 273 N -0.55 2.38 -0.09 5.22 -0.12 0.11 -0.04 117.98 124.89 2ony s PHE 273 Ca 0.04 -0.34 0.02 0.00 -0.05 0.00 0.00 56.93 56.61 2ony s PHE 273 Cb -0.07 -1.23 0.01 0.00 -0.63 0.00 0.00 43.02 41.11 2ony s PHE 273 CO 0.00 0.43 -0.14 0.12 -0.05 0.00 0.00 175.22 175.58 2ony s PHE 274 N -1.37 1.70 -0.05 3.49 5.36 -0.17 -1.89 117.98 125.04 2ony s PHE 274 Ca 0.18 -0.71 0.03 0.00 -0.96 0.00 0.00 56.93 55.47 2ony s PHE 274 Cb -0.09 -1.24 0.00 0.00 -0.34 0.00 0.00 43.02 41.35 2ony s PHE 274 CO 0.09 -0.37 -0.14 0.00 -1.46 0.00 0.00 175.22 173.33 2ony s ALA 275 N 0.84 1.37 -0.38 11.12 0.00 0.96 -0.86 121.76 134.81 2ony s ALA 275 Ca -0.11 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 2ony s ALA 275 Cb -0.15 -0.53 0.09 0.00 0.00 0.00 0.00 23.12 22.53 2ony s ALA 275 CO 0.01 0.19 0.16 -0.46 0.00 0.00 0.00 175.76 175.66 2ony s TRP 276 N 0.34 3.48 0.09 0.00 -0.00 0.12 -1.15 118.94 121.83 2ony s TRP 276 Ca -0.09 -2.18 0.09 0.00 -0.00 0.00 0.00 56.10 53.92 2ony s TRP 276 Cb -0.13 -2.90 -0.04 0.00 -0.00 0.00 0.00 33.47 30.40 2ony s TRP 276 CO 0.03 -0.91 -0.19 0.00 -0.00 0.00 0.00 176.95 175.87 2ony s ALA 277 N 1.20 2.60 -0.18 5.86 0.00 0.27 0.88 121.76 132.39 2ony s ALA 277 Ca 0.04 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.70 2ony s ALA 277 Cb -0.22 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.29 2ony s ALA 277 CO -0.03 0.58 -0.13 -1.14 0.00 0.00 0.00 175.76 175.04 2ony s GLN 278 N -1.87 2.29 -0.03 0.00 0.74 -0.68 0.63 119.66 120.73 2ony s GLN 278 Ca 0.16 -0.73 -0.30 0.00 0.05 0.00 0.00 55.36 54.54 2ony s GLN 278 Cb -0.10 -2.31 -0.08 0.00 1.10 0.00 0.00 33.01 31.61 2ony s GLN 278 CO 0.08 -0.32 1.99 0.21 -0.55 0.00 0.00 175.29 176.70 2ony s LYS 279 N 1.41 3.93 0.00 1.67 2.20 -0.83 -0.78 119.74 127.34 2ony s LYS 279 Ca 0.02 2.43 0.17 0.00 -0.36 0.00 0.00 55.97 58.23 2ony s LYS 279 Cb -0.14 -4.19 0.13 0.00 -1.51 0.00 0.00 37.83 32.12 2ony s LYS 279 CO -0.10 -1.19 1.03 1.55 -0.36 0.00 0.00 175.35 176.28