#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aff s ASP 8 N 0.00 1.33 0.14 6.15 -4.77 -1.26 -5.03 116.67 113.24 3aff s ASP 8 Ca 0.00 -1.65 -0.20 0.00 -3.30 0.00 0.00 52.55 47.40 3aff s ASP 8 Cb 0.00 0.58 0.01 0.00 -1.09 0.00 0.00 42.92 42.43 3aff s ASP 8 CO 0.00 -1.13 1.68 0.00 0.70 0.00 0.00 175.17 176.41 3aff h ALA 9 N 2.15 0.08 -0.85 2.11 0.00 -1.98 -1.09 119.26 119.69 3aff h ALA 9 Ca -0.27 0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.80 3aff h ALA 9 Cb 1.24 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 19.23 3aff h ALA 9 CO 0.38 -0.52 0.52 1.96 0.00 0.00 0.00 179.25 181.59 3aff h GLN 10 N -0.08 0.90 0.00 0.00 7.50 -1.99 -0.88 115.11 120.56 3aff h GLN 10 Ca 0.12 -0.05 -0.12 0.00 0.50 0.00 0.00 58.65 59.10 3aff h GLN 10 Cb 0.27 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.58 3aff h GLN 10 CO -0.29 0.60 -0.59 0.66 -1.50 0.00 0.00 178.83 177.71 3aff h SER 11 N 0.93 0.00 -0.29 1.46 4.64 -1.85 -1.51 113.55 116.93 3aff h SER 11 Ca 0.38 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.64 3aff h SER 11 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3aff h SER 11 CO -0.19 0.59 -0.05 0.58 -0.87 0.00 0.00 176.83 176.89 3aff h VAL 12 N 0.00 1.28 -0.62 0.95 2.07 -0.30 -0.80 116.25 118.83 3aff h VAL 12 Ca -0.01 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.51 3aff h VAL 12 Cb 1.09 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 3aff h VAL 12 CO 0.08 0.34 0.33 -0.07 0.02 0.00 0.00 177.57 178.27 3aff h LEU 13 N 0.31 0.48 -0.21 2.57 3.38 -0.86 0.51 115.31 121.49 3aff h LEU 13 Ca 0.08 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3aff h LEU 13 Cb 0.52 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3aff h LEU 13 CO 0.03 0.32 0.12 0.00 0.09 0.00 0.00 178.44 178.99 3aff h ALA 14 N 1.33 0.27 -0.93 1.53 0.00 -1.12 -0.60 119.26 119.74 3aff h ALA 14 Ca 0.28 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.22 3aff h ALA 14 Cb 0.18 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3aff h ALA 14 CO -0.18 -0.20 0.60 0.00 0.00 0.00 0.00 179.25 179.46 3aff h ALA 15 N 1.02 1.53 0.06 0.00 0.00 -0.46 -1.43 119.26 119.97 3aff h ALA 15 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3aff h ALA 15 Cb 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3aff h ALA 15 CO -0.01 0.30 -0.03 0.82 0.00 0.00 0.00 179.25 180.33 3aff h ILE 16 N 1.00 1.08 -0.77 0.00 2.04 -0.45 -2.83 117.51 117.58 3aff h ILE 16 Ca 0.42 -0.45 0.14 0.00 1.00 0.00 0.00 64.86 65.97 3aff h ILE 16 Cb 0.29 1.38 -0.14 0.00 -0.74 0.00 0.00 36.82 37.61 3aff h ILE 16 CO -0.17 0.11 -0.29 0.44 0.00 0.00 0.00 178.15 178.24 3aff h ASP 17 N -0.27 -1.05 -0.06 1.72 5.19 -0.61 0.37 116.42 121.71 3aff h ASP 17 Ca -0.01 0.25 0.02 0.00 -0.62 0.00 0.00 57.03 56.67 3aff h ASP 17 Cb 0.24 0.59 -0.00 0.00 0.18 0.00 0.00 39.33 40.34 3aff h ASP 17 CO 0.01 -0.29 0.25 -1.13 -3.12 0.00 0.00 179.24 174.96 3aff h ASN 18 N -0.06 0.00 0.86 6.45 -0.73 -1.15 -2.65 115.58 118.30 3aff h ASN 18 Ca 0.32 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.47 3aff h ASN 18 Cb 0.58 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.17 3aff h ASN 18 CO -0.82 0.00 -1.16 -0.11 -0.37 0.00 0.00 177.43 174.97 3aff n LEU 19 N -3.12 0.78 -0.29 0.34 7.94 0.13 -4.42 117.00 118.36 3aff n LEU 19 Ca -0.01 0.31 0.02 0.00 -1.11 0.00 0.00 56.01 55.22 3aff n LEU 19 Cb 0.32 -0.03 0.15 0.00 0.53 0.00 0.00 43.42 44.39 3aff n LEU 19 CO 0.18 -0.12 1.15 -0.07 -1.11 0.00 0.00 177.39 177.42 3aff h LEU 20 N 0.00 0.71 -0.57 -1.96 3.38 -1.16 -2.80 115.31 112.91 3aff h LEU 20 Ca -0.03 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3aff h LEU 20 Cb 1.10 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 3aff h LEU 20 CO 0.01 0.42 0.28 -0.65 0.09 0.00 0.00 178.44 178.59 3aff h PRO 21 N 0.83 0.82 -1.00 1.13 0.11 -1.79 0.05 132.00 132.15 3aff h PRO 21 Ca 0.38 -0.12 0.12 0.00 0.11 0.00 0.00 66.00 66.50 3aff h PRO 21 Cb 0.30 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 31.17 3aff h PRO 21 CO -0.22 0.66 0.63 0.93 -0.21 0.00 0.00 178.00 179.79 3aff h GLU 22 N 0.77 0.94 0.06 1.05 3.07 -1.79 -1.71 114.58 116.97 3aff h GLU 22 Ca 0.20 -0.06 -0.26 0.00 -0.50 0.00 0.00 59.36 58.74 3aff h GLU 22 Cb 0.11 -0.21 0.02 0.00 -0.84 0.00 0.00 28.75 27.83 3aff h GLU 22 CO -0.03 0.62 -1.07 0.82 -1.40 0.00 0.00 179.01 177.96 3aff h ILE 23 N 0.97 1.31 -0.53 3.13 2.04 -1.34 -2.62 117.51 120.47 3aff h ILE 23 Ca 0.50 -2.32 0.06 0.00 1.00 0.00 0.00 64.86 64.10 3aff h ILE 23 Cb 0.52 2.57 -0.05 0.00 -0.74 0.00 0.00 36.82 39.11 3aff h ILE 23 CO -0.26 0.71 0.23 -0.09 0.00 0.00 0.00 178.15 178.74 3aff h ARG 24 N 0.26 0.43 0.00 2.37 2.43 -0.68 -1.78 114.38 117.41 3aff h ARG 24 Ca -0.15 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 3aff h ARG 24 Cb 1.74 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 31.19 3aff h ARG 24 CO 0.21 0.29 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.40 3aff h ASP 25 N 0.45 0.00 -0.19 -3.80 3.32 -1.21 -2.53 116.42 112.47 3aff h ASP 25 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3aff h ASP 25 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3aff h ASP 25 CO -0.21 0.12 0.00 -2.11 -1.72 0.00 0.00 179.24 175.32 3aff n ARG 26 N -3.33 2.14 -0.32 3.56 1.85 -0.91 -4.55 116.66 115.09 3aff n ARG 26 Ca -0.00 -1.69 0.05 0.00 -1.00 0.00 0.00 57.85 55.20 3aff n ARG 26 Cb 0.32 -1.47 0.13 0.00 -1.05 0.00 0.00 32.46 30.40 3aff n ARG 26 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3aff h ALA 27 N 4.42 0.64 -0.19 2.89 0.00 -0.88 0.20 119.26 126.35 3aff h ALA 27 Ca 0.00 0.34 -0.19 0.00 0.00 0.00 0.00 54.91 55.07 3aff h ALA 27 Cb 0.79 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 3aff h ALA 27 CO 0.00 -0.41 -0.63 0.37 0.00 0.00 0.00 179.25 178.58 3aff h GLN 28 N 0.01 0.67 0.24 0.00 5.75 -1.82 -1.21 115.11 118.74 3aff h GLN 28 Ca 0.44 -0.47 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3aff h GLN 28 Cb 0.70 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 3aff h GLN 28 CO -0.91 1.09 -0.23 0.00 -2.65 0.00 0.00 178.83 176.12 3aff h ALA 29 N 0.80 -0.48 -0.56 3.38 0.00 -1.50 -2.01 119.26 118.89 3aff h ALA 29 Ca -0.01 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.92 3aff h ALA 29 Cb 1.22 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 19.23 3aff h ALA 29 CO 0.12 -0.80 -0.37 1.15 0.00 0.00 0.00 179.25 179.36 3aff h THR 30 N -0.50 0.15 -0.83 0.00 2.02 -0.58 0.47 112.91 113.63 3aff h THR 30 Ca -0.01 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.37 3aff h THR 30 Cb 0.46 0.15 -0.12 0.00 -1.74 0.00 0.00 68.15 66.90 3aff h THR 30 CO -0.05 0.00 0.30 -0.33 0.37 0.00 0.00 175.52 175.81 3aff h GLU 31 N -0.20 0.34 -0.09 6.66 5.08 -1.05 -2.21 114.58 123.12 3aff h GLU 31 Ca 0.21 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.33 3aff h GLU 31 Cb 0.56 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3aff h GLU 31 CO -0.67 0.23 -0.81 -0.44 -1.00 0.00 0.00 179.01 176.32 3aff h ASP 32 N 0.35 0.69 -0.79 1.42 3.32 -0.39 -3.04 116.42 117.98 3aff h ASP 32 Ca 0.50 -0.48 0.03 0.00 0.02 0.00 0.00 57.03 57.10 3aff h ASP 32 Cb 0.90 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 3aff h ASP 32 CO -0.52 1.26 0.52 0.25 -1.72 0.00 0.00 179.24 179.03 3aff h LEU 33 N 0.37 0.84 1.46 1.55 6.46 -0.76 -3.48 115.31 121.76 3aff h LEU 33 Ca -0.06 -0.01 -0.24 0.00 -0.12 0.00 0.00 57.88 57.46 3aff h LEU 33 Cb 1.42 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 41.13 3aff h LEU 33 CO 0.15 0.58 -0.29 0.54 -0.62 0.00 0.00 178.44 178.80 3aff n ARG 34 N -4.45 -0.92 -3.57 1.25 1.74 -0.85 -4.99 116.66 104.86 3aff n ARG 34 Ca 0.10 0.65 -0.05 0.00 -0.77 0.00 0.00 57.85 57.78 3aff n ARG 34 Cb 0.11 -4.77 -0.02 0.00 -1.02 0.00 0.00 32.46 26.76 3aff n ARG 34 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3aff s ARG 35 N -4.26 0.59 0.24 5.56 1.70 -1.15 -1.99 118.95 119.64 3aff s ARG 35 Ca 0.00 -0.24 -0.30 0.00 -0.47 0.00 0.00 55.73 54.72 3aff s ARG 35 Cb 0.00 0.26 -0.09 0.00 -0.57 0.00 0.00 34.95 34.55 3aff s ARG 35 CO 0.00 -0.26 1.30 -0.51 -1.08 0.00 0.00 175.30 174.75 3aff s LEU 36 N -2.43 4.43 0.32 -1.89 1.43 -1.01 -4.82 118.68 114.71 3aff s LEU 36 Ca 0.08 2.46 -0.28 0.00 -1.03 0.00 0.00 54.13 55.36 3aff s LEU 36 Cb -0.00 -3.62 -0.13 0.00 0.03 0.00 0.00 46.19 42.47 3aff s LEU 36 CO -0.06 -0.50 1.27 -2.65 0.23 0.00 0.00 176.35 174.64 3aff n PRO 37 N 2.11 2.03 -0.24 1.29 -0.02 -1.26 -4.88 135.00 134.03 3aff n PRO 37 Ca 0.04 0.71 0.26 0.00 -2.02 0.00 0.00 63.50 62.49 3aff n PRO 37 Cb 0.43 -2.28 0.63 0.00 -0.02 0.00 0.00 33.50 32.26 3aff n PRO 37 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3aff h ASP 38 N 2.67 0.19 -0.44 2.55 3.32 -2.00 -2.03 116.42 120.68 3aff h ASP 38 Ca -0.45 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.48 3aff h ASP 38 Cb 1.29 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 3aff h ASP 38 CO 0.64 0.06 -0.29 -0.08 -1.72 0.00 0.00 179.24 177.85 3aff h GLU 39 N 0.18 0.98 0.11 3.56 4.81 -1.99 0.23 114.58 122.46 3aff h GLU 39 Ca 0.49 -0.46 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3aff h GLU 39 Cb 1.62 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.98 3aff h GLU 39 CO -0.11 1.13 -0.07 1.15 -0.73 0.00 0.00 179.01 180.38 3aff h THR 40 N 0.82 0.85 -0.41 0.32 2.02 -1.75 0.00 112.91 114.77 3aff h THR 40 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 3aff h THR 40 Cb 0.87 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 3aff h THR 40 CO 0.08 0.00 0.25 0.58 0.37 0.00 0.00 175.52 176.80 3aff h VAL 41 N -0.17 1.07 -0.39 3.16 2.07 -1.26 0.81 116.25 121.53 3aff h VAL 41 Ca -0.01 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3aff h VAL 41 Cb 0.15 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3aff h VAL 41 CO 0.01 0.09 0.22 0.50 0.02 0.00 0.00 177.57 178.40 3aff h LYS 42 N 0.51 0.42 -0.35 1.57 3.64 -0.47 -0.71 116.57 121.18 3aff h LYS 42 Ca 0.16 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3aff h LYS 42 Cb -0.02 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 3aff h LYS 42 CO -0.06 0.28 0.20 0.00 -2.27 0.00 0.00 179.45 177.60 3aff h ALA 43 N 1.19 0.44 -0.84 5.00 0.00 0.06 0.67 119.26 125.78 3aff h ALA 43 Ca 0.16 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3aff h ALA 43 Cb 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3aff h ALA 43 CO -0.09 -0.16 0.42 -0.07 0.00 0.00 0.00 179.25 179.35 3aff h LEU 44 N 0.40 1.07 0.18 0.00 3.38 -0.45 -1.30 115.31 118.59 3aff h LEU 44 Ca 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3aff h LEU 44 Cb 0.02 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3aff h LEU 44 CO -0.08 0.89 -0.08 -0.78 0.09 0.00 0.00 178.44 178.47 3aff h ASP 45 N 1.18 -0.20 -0.94 -0.43 3.58 -0.70 -1.40 116.42 117.51 3aff h ASP 45 Ca 0.29 -0.16 0.15 0.00 0.42 0.00 0.00 57.03 57.73 3aff h ASP 45 Cb 0.08 0.05 -0.08 0.00 1.72 0.00 0.00 39.33 41.10 3aff h ASP 45 CO -0.04 0.05 0.60 0.44 -2.88 0.00 0.00 179.24 177.41 3aff h ASP 46 N -0.45 0.72 0.84 2.28 3.32 -0.43 0.10 116.42 122.80 3aff h ASP 46 Ca -0.02 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3aff h ASP 46 Cb 0.35 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3aff h ASP 46 CO 0.04 0.34 0.00 0.52 -1.72 0.00 0.00 179.24 178.42 3aff n VAL 47 N -4.61 0.21 -0.51 -1.35 0.31 -0.53 -4.91 118.33 106.94 3aff n VAL 47 Ca 0.19 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 3aff n VAL 47 Cb 0.49 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 3aff n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3aff n GLY 48 N 1.14 0.74 0.14 2.92 0.00 0.36 -4.66 105.19 105.83 3aff n GLY 48 Ca 0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 3aff n GLY 48 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3aff h PHE 49 N 0.00 0.33 0.00 1.61 3.57 -1.44 -2.20 116.94 118.81 3aff h PHE 49 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3aff h PHE 49 Cb 0.00 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.63 3aff h PHE 49 CO 0.00 0.20 0.00 0.74 -2.23 0.00 0.00 178.31 177.02 3aff h PHE 50 N 0.36 0.00 0.00 0.41 0.04 -1.86 -2.46 116.94 113.43 3aff h PHE 50 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 3aff h PHE 50 Cb -0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.13 3aff h PHE 50 CO -0.07 0.00 0.00 1.15 -0.60 0.00 0.00 178.31 178.79 3aff h THR 51 N 0.00 0.00 -0.39 -1.55 2.02 -1.76 -3.38 112.91 107.85 3aff h THR 51 Ca 0.00 -0.78 0.03 0.00 0.77 0.00 0.00 66.41 66.43 3aff h THR 51 Cb 0.24 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 3aff h THR 51 CO 0.00 0.00 0.19 -0.07 0.37 0.00 0.00 175.52 176.01 3aff h LEU 52 N 0.00 0.27 -2.06 2.58 3.38 -1.44 0.19 115.31 118.23 3aff h LEU 52 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3aff h LEU 52 Cb 0.83 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3aff h LEU 52 CO 0.00 0.20 0.00 0.18 0.09 0.00 0.00 178.44 178.91 3aff n LEU 53 N -4.93 2.83 -4.76 1.67 4.77 -1.26 -0.24 117.00 115.08 3aff n LEU 53 Ca 0.02 -1.32 -0.40 0.00 -0.03 0.00 0.00 56.01 54.27 3aff n LEU 53 Cb 0.10 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3aff n LEU 53 CO 0.30 0.58 0.86 -1.58 -1.33 0.00 0.00 177.39 176.22 3aff s GLN 54 N -1.34 4.51 0.64 3.23 0.74 -0.94 -3.92 119.66 122.58 3aff s GLN 54 Ca 0.27 1.95 -0.18 0.00 0.05 0.00 0.00 55.36 57.45 3aff s GLN 54 Cb 0.17 -3.12 -0.01 0.00 1.10 0.00 0.00 33.01 31.14 3aff s GLN 54 CO 0.24 0.05 1.22 -2.14 -0.55 0.00 0.00 175.29 174.10 3aff s PRO 55 N -1.61 2.70 0.32 1.67 0.02 -1.26 -0.73 135.00 136.11 3aff s PRO 55 Ca 0.47 1.83 0.08 0.00 0.02 0.00 0.00 61.00 63.39 3aff s PRO 55 Cb -0.35 -1.89 0.78 0.00 0.02 0.00 0.00 34.50 33.06 3aff s PRO 55 CO 0.45 -1.42 1.79 0.37 -0.33 0.00 0.00 177.00 177.86 3aff h GLN 56 N 0.51 0.70 0.00 5.54 4.15 -1.91 -0.19 115.11 123.92 3aff h GLN 56 Ca -0.50 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.88 3aff h GLN 56 Cb 1.30 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.83 3aff h GLN 56 CO 0.53 0.46 0.00 -0.56 -1.93 0.00 0.00 178.83 177.34 3aff h GLN 57 N 0.72 0.00 -0.57 1.69 3.07 -1.91 -0.36 115.11 117.75 3aff h GLN 57 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.30 3aff h GLN 57 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.49 3aff h GLN 57 CO -0.34 0.00 0.00 0.91 0.09 0.00 0.00 178.83 179.49 3aff n TRP 58 N -3.04 1.12 -0.59 0.06 7.02 -0.85 -4.93 117.44 116.22 3aff n TRP 58 Ca -0.03 -0.59 0.00 0.00 -1.02 0.00 0.00 57.50 55.87 3aff n TRP 58 Cb 0.09 -0.15 0.00 0.00 -2.42 0.00 0.00 31.31 28.83 3aff n TRP 58 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3aff n GLY 59 N 0.97 0.68 3.98 6.99 0.00 -0.14 -4.82 105.19 112.85 3aff n GLY 59 Ca 0.22 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 3aff n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3aff s GLY 60 N -2.18 1.80 0.00 -0.02 0.00 -0.14 -4.93 107.32 101.85 3aff s GLY 60 Ca 0.00 -1.48 0.19 0.00 0.00 0.00 0.00 44.72 43.43 3aff s GLY 60 CO 0.00 -1.10 1.09 1.04 0.00 0.00 0.00 173.10 174.14 3aff n LEU 61 N -2.50 2.52 -3.70 0.66 4.77 0.64 -3.48 117.00 115.91 3aff n LEU 61 Ca 0.10 -0.97 -0.21 0.00 -0.03 0.00 0.00 56.01 54.90 3aff n LEU 61 Cb 0.60 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 3aff n LEU 61 CO 0.44 0.44 -0.28 0.00 -1.33 0.00 0.00 177.39 176.66 3aff n GLN 62 N 0.96 -0.91 -1.88 3.23 10.64 0.10 -4.82 117.38 124.69 3aff n GLN 62 Ca 0.11 0.03 -0.29 0.00 -1.83 0.00 0.00 57.00 55.02 3aff n GLN 62 Cb 0.47 -2.17 0.08 0.00 -0.86 0.00 0.00 30.24 27.77 3aff n GLN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3aff n ASP 64 N -3.29 3.08 0.27 0.00 -0.08 -1.26 -4.80 116.55 110.47 3aff n ASP 64 Ca 0.08 1.02 0.13 0.00 -1.51 0.00 0.00 54.79 54.50 3aff n ASP 64 Cb 0.60 -1.33 0.78 0.00 2.34 0.00 0.00 41.12 43.51 3aff n ASP 64 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3aff h PRO 65 N 7.95 0.00 -0.57 -0.67 0.13 -1.94 -2.20 132.00 134.70 3aff h PRO 65 Ca -0.47 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 3aff h PRO 65 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 3aff h PRO 65 CO 0.93 0.07 0.38 0.00 -0.23 0.00 0.00 178.00 179.14 3aff h ALA 66 N 1.93 1.64 -0.34 -0.56 0.00 -1.90 -1.08 119.26 118.96 3aff h ALA 66 Ca -0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 3aff h ALA 66 Cb 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3aff h ALA 66 CO 0.01 0.31 -0.42 -0.07 0.00 0.00 0.00 179.25 179.08 3aff h LEU 67 N 0.72 0.96 -0.25 0.00 4.07 -1.78 -0.50 115.31 118.52 3aff h LEU 67 Ca 0.22 -0.49 -0.00 0.00 0.08 0.00 0.00 57.88 57.69 3aff h LEU 67 Cb -0.01 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.44 3aff h LEU 67 CO -0.05 1.26 0.15 0.15 -1.08 0.00 0.00 178.44 178.86 3aff h PHE 68 N 0.68 0.34 -0.12 1.13 3.57 -1.15 -1.55 116.94 119.84 3aff h PHE 68 Ca 0.04 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 3aff h PHE 68 Cb 1.02 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 3aff h PHE 68 CO 0.07 0.26 -0.28 0.74 -2.23 0.00 0.00 178.31 176.88 3aff h PHE 69 N 0.31 0.24 -0.56 0.41 0.04 -1.13 -2.51 116.94 113.73 3aff h PHE 69 Ca 0.09 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3aff h PHE 69 Cb 0.03 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 3aff h PHE 69 CO -0.04 0.48 0.35 1.49 -0.60 0.00 0.00 178.31 179.99 3aff h GLU 70 N 0.20 0.76 -0.87 1.51 4.57 -0.89 -0.13 114.58 119.73 3aff h GLU 70 Ca 0.03 -0.06 0.07 0.00 -1.18 0.00 0.00 59.36 58.22 3aff h GLU 70 Cb 0.60 -0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 28.96 3aff h GLU 70 CO 0.04 0.53 0.53 0.00 -1.18 0.00 0.00 179.01 178.94 3aff h ALA 71 N 1.18 1.21 -0.20 2.92 0.00 -0.86 -1.42 119.26 122.11 3aff h ALA 71 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3aff h ALA 71 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3aff h ALA 71 CO -0.04 0.24 -0.42 1.79 0.00 0.00 0.00 179.25 180.83 3aff h THR 72 N 0.94 1.31 -0.23 0.00 1.35 -1.13 -1.66 112.91 113.48 3aff h THR 72 Ca 0.39 -1.58 -0.01 0.00 -0.55 0.00 0.00 66.41 64.67 3aff h THR 72 Cb 0.24 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 3aff h THR 72 CO -0.20 0.49 0.12 -0.09 -0.25 0.00 0.00 175.52 175.59 3aff h ARG 73 N 0.39 0.33 -0.54 4.72 2.43 -0.07 -1.16 114.38 120.48 3aff h ARG 73 Ca 0.03 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3aff h ARG 73 Cb 0.89 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.33 3aff h ARG 73 CO 0.08 0.33 0.27 0.00 -1.51 0.00 0.00 179.97 179.14 3aff h ARG 74 N 0.25 0.51 -0.41 0.20 3.08 -1.05 -1.59 114.38 115.37 3aff h ARG 74 Ca 0.08 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 3aff h ARG 74 Cb 0.11 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3aff h ARG 74 CO -0.01 0.34 0.06 -0.07 -1.07 0.00 0.00 179.97 179.22 3aff h LEU 75 N 0.52 0.66 -1.54 3.04 3.38 -1.12 -2.87 115.31 117.38 3aff h LEU 75 Ca 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3aff h LEU 75 Cb 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3aff h LEU 75 CO -0.17 0.76 0.07 0.00 0.09 0.00 0.00 178.44 179.19 3aff h ALA 76 N 0.93 1.64 0.00 1.53 0.00 -0.98 -1.78 119.26 120.60 3aff h ALA 76 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3aff h ALA 76 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3aff h ALA 76 CO 0.01 0.28 0.00 -1.13 0.00 0.00 0.00 179.25 178.41 3aff n SER 77 N -4.40 0.05 0.00 0.00 3.41 -0.62 -2.88 113.62 109.19 3aff n SER 77 Ca 0.01 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 3aff n SER 77 Cb 0.15 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 3aff n SER 77 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3aff n VAL 78 N -1.57 0.00 -3.23 -3.33 0.31 -0.84 -3.90 118.33 105.77 3aff n VAL 78 Ca 0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.33 3aff n VAL 78 Cb 0.09 -0.88 -0.04 0.00 -0.91 0.00 0.00 33.84 32.10 3aff n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3aff h GLY 80 N 8.07 0.72 1.21 0.00 0.00 -1.80 -2.01 103.07 109.26 3aff h GLY 80 Ca -0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3aff h GLY 80 CO 0.26 -0.04 0.39 1.76 0.00 0.00 0.00 176.54 178.92 3aff h SER 81 N 0.32 0.93 -0.14 0.19 0.02 -1.92 -1.61 113.55 111.34 3aff h SER 81 Ca 0.27 -0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 60.96 3aff h SER 81 Cb 0.35 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.66 3aff h SER 81 CO -0.31 0.76 -0.62 0.74 -1.14 0.00 0.00 176.83 176.26 3aff h THR 82 N 1.04 1.32 -0.12 -2.27 2.02 -1.73 -2.11 112.91 111.06 3aff h THR 82 Ca 0.26 -1.87 -0.10 0.00 0.77 0.00 0.00 66.41 65.47 3aff h THR 82 Cb 0.05 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3aff h THR 82 CO -0.04 0.58 -0.36 1.23 0.37 0.00 0.00 175.52 177.30 3aff h GLY 83 N 0.33 0.27 0.78 2.16 0.00 -1.29 -1.65 103.07 103.67 3aff h GLY 83 Ca -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3aff h GLY 83 CO 0.13 0.22 -0.17 -0.25 0.00 0.00 0.00 176.54 176.47 3aff h TRP 84 N 0.21 -0.43 -0.72 5.60 2.91 -1.19 -1.92 115.95 120.41 3aff h TRP 84 Ca 0.02 -0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.00 3aff h TRP 84 Cb 0.74 0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 29.50 3aff h TRP 84 CO 0.01 -0.14 0.30 0.28 -1.03 0.00 0.00 178.44 177.86 3aff h VAL 85 N -0.69 1.25 -0.16 2.65 2.07 -1.41 -2.33 116.25 117.62 3aff h VAL 85 Ca -0.05 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 3aff h VAL 85 Cb 0.48 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3aff h VAL 85 CO 0.08 0.30 -0.04 0.28 0.02 0.00 0.00 177.57 178.21 3aff h SER 86 N 1.02 0.31 -0.40 0.57 0.02 -1.33 -0.15 113.55 113.59 3aff h SER 86 Ca 0.24 -0.38 0.06 0.00 -0.84 0.00 0.00 61.79 60.88 3aff h SER 86 Cb 0.19 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 3aff h SER 86 CO -0.02 0.61 0.09 -1.28 -1.14 0.00 0.00 176.83 175.10 3aff h SER 87 N -0.00 0.04 -0.12 3.07 0.87 -1.30 0.48 113.55 116.59 3aff h SER 87 Ca 0.04 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 3aff h SER 87 Cb 0.48 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3aff h SER 87 CO 0.02 0.06 -0.06 0.40 -0.53 0.00 0.00 176.83 176.71 3aff h ILE 88 N 0.23 1.32 0.01 2.23 2.04 -1.25 -1.75 117.51 120.34 3aff h ILE 88 Ca 0.19 -1.10 -0.22 0.00 1.00 0.00 0.00 64.86 64.74 3aff h ILE 88 Cb 0.22 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3aff h ILE 88 CO -0.24 0.32 -0.95 0.58 0.00 0.00 0.00 178.15 177.86 3aff h VAL 89 N -0.10 1.44 -0.73 1.67 2.07 -1.06 -2.87 116.25 116.67 3aff h VAL 89 Ca 0.03 -2.55 -0.06 0.00 0.82 0.00 0.00 66.70 64.94 3aff h VAL 89 Cb 0.52 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 3aff h VAL 89 CO 0.02 0.75 0.24 1.23 0.02 0.00 0.00 177.57 179.83 3aff h GLY 90 N 1.45 1.21 2.00 2.17 0.00 -0.94 -2.98 103.07 105.98 3aff h GLY 90 Ca -0.07 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.55 3aff h GLY 90 CO 0.16 0.66 0.00 -0.24 0.00 0.00 0.00 176.54 177.12 3aff h VAL 91 N 1.09 0.00 0.00 4.60 3.04 -1.26 -2.62 116.25 121.10 3aff h VAL 91 Ca 0.24 -0.60 -0.01 0.00 -1.01 0.00 0.00 66.70 65.32 3aff h VAL 91 Cb 0.29 1.58 -0.00 0.00 -2.01 0.00 0.00 31.29 31.15 3aff h VAL 91 CO -0.01 0.00 -0.05 0.45 -1.01 0.00 0.00 177.57 176.95 3aff h HIS 92 N 0.00 0.00 -0.02 3.17 3.86 -1.34 -1.22 115.15 119.60 3aff h HIS 92 Ca 0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 3aff h HIS 92 Cb 0.61 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 3aff h HIS 92 CO 0.00 0.05 -0.49 -0.91 0.86 0.00 0.00 177.93 177.44 3aff h ASN 93 N 0.00 0.06 -0.34 2.45 2.35 -1.57 -0.07 115.58 118.46 3aff h ASN 93 Ca -0.00 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3aff h ASN 93 Cb 0.23 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3aff h ASN 93 CO 0.01 0.55 0.06 -0.25 -1.65 0.00 0.00 177.43 176.14 3aff h TRP 94 N 0.05 0.59 -0.42 1.19 7.01 -1.36 -3.06 115.95 119.95 3aff h TRP 94 Ca -0.00 -0.08 -0.11 0.00 2.11 0.00 0.00 58.89 60.80 3aff h TRP 94 Cb 0.89 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.77 3aff h TRP 94 CO 0.00 0.62 -0.18 1.25 -2.79 0.00 0.00 178.44 177.35 3aff h HIS 95 N 0.39 0.99 -0.02 2.65 2.76 -1.15 -2.67 115.15 118.11 3aff h HIS 95 Ca 0.10 -0.24 -0.03 0.00 -2.20 0.00 0.00 60.37 58.00 3aff h HIS 95 Cb 0.35 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 3aff h HIS 95 CO 0.02 1.01 -0.14 1.25 -1.30 0.00 0.00 177.93 178.78 3aff h LEU 96 N 0.69 0.02 -1.85 0.26 5.85 -1.11 -1.93 115.31 117.24 3aff h LEU 96 Ca 0.10 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3aff h LEU 96 Cb 0.74 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3aff h LEU 96 CO 0.06 0.17 0.07 0.00 -0.34 0.00 0.00 178.44 178.40 3aff h ALA 97 N 1.84 1.06 0.00 1.25 0.00 -1.36 -2.40 119.26 119.65 3aff h ALA 97 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3aff h ALA 97 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3aff h ALA 97 CO 0.02 -0.06 -1.70 1.28 0.00 0.00 0.00 179.25 178.79 3aff n LEU 98 N -2.52 0.34 -4.71 0.00 4.77 -0.73 -4.22 117.00 109.93 3aff n LEU 98 Ca -0.02 0.13 -0.31 0.00 -0.03 0.00 0.00 56.01 55.78 3aff n LEU 98 Cb 0.12 0.04 0.13 0.00 -2.33 0.00 0.00 43.42 41.38 3aff n LEU 98 CO 0.12 0.01 0.70 -0.36 -1.33 0.00 0.00 177.39 176.54 3aff s PHE 99 N -3.31 2.01 0.42 -1.77 0.08 -0.90 -0.28 117.98 114.24 3aff s PHE 99 Ca -0.06 1.69 -0.23 0.00 0.12 0.00 0.00 56.93 58.45 3aff s PHE 99 Cb 0.11 -3.26 -0.11 0.00 -0.57 0.00 0.00 43.02 39.20 3aff s PHE 99 CO 0.86 -2.42 0.84 -0.25 -0.10 0.00 0.00 175.22 174.15 3aff n ASP 100 N -3.78 0.48 -0.32 1.36 8.00 -1.26 -2.23 116.55 118.80 3aff n ASP 100 Ca 0.11 0.98 0.18 0.00 0.71 0.00 0.00 54.79 56.77 3aff n ASP 100 Cb 0.52 -1.27 0.37 0.00 -0.02 0.00 0.00 41.12 40.73 3aff n ASP 100 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 3aff h GLN 101 N 1.23 0.25 -0.71 -1.24 5.75 -1.92 -1.68 115.11 116.79 3aff h GLN 101 Ca -0.43 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.06 3aff h GLN 101 Cb 1.36 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.82 3aff h GLN 101 CO 0.55 0.16 0.44 -0.09 -2.65 0.00 0.00 178.83 177.24 3aff h ARG 102 N 0.26 0.95 -0.56 1.69 2.43 -1.91 -0.77 114.38 116.46 3aff h ARG 102 Ca 0.63 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.77 3aff h ARG 102 Cb 1.36 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.67 3aff h ARG 102 CO -0.64 0.66 0.31 0.00 -1.51 0.00 0.00 179.97 178.79 3aff h ALA 103 N 1.23 0.73 -0.57 2.80 0.00 -1.51 -0.30 119.26 121.65 3aff h ALA 103 Ca 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3aff h ALA 103 Cb -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3aff h ALA 103 CO -0.05 0.00 0.33 1.96 0.00 0.00 0.00 179.25 181.49 3aff h GLN 104 N 0.61 0.78 -0.70 0.00 4.20 -1.00 -2.36 115.11 116.64 3aff h GLN 104 Ca 0.24 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 58.93 3aff h GLN 104 Cb 0.10 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 3aff h GLN 104 CO -0.14 0.58 0.40 1.49 -0.67 0.00 0.00 178.83 180.49 3aff h GLU 105 N 0.76 0.72 -0.31 1.46 4.57 -0.97 0.16 114.58 120.97 3aff h GLU 105 Ca 0.20 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 3aff h GLU 105 Cb 0.01 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 3aff h GLU 105 CO -0.04 0.48 0.01 0.93 -1.18 0.00 0.00 179.01 179.21 3aff h GLU 106 N 0.74 0.48 0.00 1.92 5.08 -0.56 0.10 114.58 122.34 3aff h GLU 106 Ca 0.31 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3aff h GLU 106 Cb 0.17 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3aff h GLU 106 CO -0.17 0.50 -0.06 0.28 -1.00 0.00 0.00 179.01 178.55 3aff h VAL 107 N 0.46 1.62 -0.01 3.13 2.07 -1.02 -3.42 116.25 119.08 3aff h VAL 107 Ca 0.10 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.39 3aff h VAL 107 Cb 0.29 3.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 3aff h VAL 107 CO 0.01 0.55 -0.30 0.79 0.02 0.00 0.00 177.57 178.64 3aff n TRP 108 N -4.61 0.00 0.20 1.57 8.01 0.52 -4.57 117.44 118.55 3aff n TRP 108 Ca -0.10 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.16 3aff n TRP 108 Cb 0.45 0.00 0.42 0.00 -2.01 0.00 0.00 31.31 30.17 3aff n TRP 108 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 3aff h GLY 109 N 3.49 0.00 0.00 6.99 0.00 -0.91 -3.11 103.07 109.53 3aff h GLY 109 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 3aff h GLY 109 CO 0.00 0.00 -2.19 1.18 0.00 0.00 0.00 176.54 175.53 3aff n GLU 110 N -3.63 0.56 -3.90 4.80 1.02 -1.26 -4.94 120.64 113.30 3aff n GLU 110 Ca -0.01 0.24 -0.30 0.00 -0.02 0.00 0.00 57.16 57.07 3aff n GLU 110 Cb 0.44 -1.45 -0.15 0.00 -0.02 0.00 0.00 31.44 30.25 3aff n GLU 110 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3aff s ASP 111 N -7.12 4.08 0.00 1.62 -1.08 -1.23 -5.01 116.67 107.93 3aff s ASP 111 Ca -0.36 -1.51 0.24 0.00 -0.52 0.00 0.00 52.55 50.41 3aff s ASP 111 Cb 0.12 -1.18 1.41 0.00 -1.46 0.00 0.00 42.92 41.81 3aff s ASP 111 CO 0.46 -0.32 1.80 -0.81 0.52 0.00 0.00 175.17 176.83 3aff n PRO 112 N 4.63 0.70 -0.13 4.34 -0.04 -1.18 -1.94 135.00 141.39 3aff n PRO 112 Ca -0.06 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.53 3aff n PRO 112 Cb 0.43 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.67 3aff n PRO 112 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3aff n SER 113 N -1.04 2.62 -4.69 3.54 3.41 -1.26 -4.94 113.62 111.26 3aff n SER 113 Ca 0.17 -1.87 -0.42 0.00 -0.26 0.00 0.00 58.87 56.50 3aff n SER 113 Cb 0.10 -0.17 -0.00 0.00 -0.26 0.00 0.00 64.21 63.88 3aff n SER 113 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3aff n THR 114 N 0.96 2.18 -4.35 6.66 -1.04 -0.82 -5.01 114.28 112.87 3aff n THR 114 Ca 0.18 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.44 3aff n THR 114 Cb 0.48 -1.53 -0.08 0.00 -1.82 0.00 0.00 70.33 67.38 3aff n THR 114 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3aff s ARG 115 N -1.97 2.06 -0.06 -2.82 0.52 -1.26 -5.00 118.95 110.42 3aff s ARG 115 Ca 0.57 -1.49 0.02 0.00 -0.52 0.00 0.00 55.73 54.31 3aff s ARG 115 Cb -0.55 -2.05 0.02 0.00 0.52 0.00 0.00 34.95 32.89 3aff s ARG 115 CO 0.61 0.37 -0.09 0.42 0.02 0.00 0.00 175.30 176.62 3aff s ILE 116 N -2.24 0.92 0.22 1.52 1.09 -1.26 -1.94 121.20 119.51 3aff s ILE 116 Ca 0.29 -0.34 0.04 0.00 -1.10 0.00 0.00 60.65 59.54 3aff s ILE 116 Cb -0.07 -0.88 0.04 0.00 -1.06 0.00 0.00 42.46 40.49 3aff s ILE 116 CO 0.17 0.31 0.30 -1.54 -0.10 0.00 0.00 174.94 174.09 3aff n SER 117 N 4.00 0.80 -3.51 3.58 3.41 -0.05 -4.72 113.62 117.13 3aff n SER 117 Ca -0.22 -1.58 -0.11 0.00 -0.26 0.00 0.00 58.87 56.69 3aff n SER 117 Cb 0.51 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 3aff n SER 117 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3aff s SER 118 N -2.35 -0.43 -0.33 4.04 1.04 -1.26 -0.26 113.70 114.14 3aff s SER 118 Ca 0.23 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.55 3aff s SER 118 Cb -0.02 0.55 0.16 0.00 0.10 0.00 0.00 66.02 66.81 3aff s SER 118 CO 0.15 -0.93 0.41 -0.55 0.98 0.00 0.00 173.24 173.29 3aff s SER 119 N -2.77 0.63 0.07 7.02 0.15 -0.85 -4.25 113.70 113.70 3aff s SER 119 Ca 0.02 -0.94 0.27 0.00 0.70 0.00 0.00 55.95 56.00 3aff s SER 119 Cb 0.00 0.92 0.84 0.00 -1.71 0.00 0.00 66.02 66.07 3aff s SER 119 CO -0.12 -0.30 1.69 -1.22 1.20 0.00 0.00 173.24 174.48 3aff n TYR 120 N 4.81 0.32 -1.93 3.44 4.01 -1.26 -1.52 117.16 125.04 3aff n TYR 120 Ca 0.06 0.09 -0.37 0.00 -0.16 0.00 0.00 57.90 57.51 3aff n TYR 120 Cb 0.48 -0.58 0.03 0.00 -0.31 0.00 0.00 39.34 38.96 3aff n TYR 120 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3aff s ALA 121 N -3.05 2.76 -1.33 -0.72 0.00 -1.26 -4.07 121.76 114.09 3aff s ALA 121 Ca 0.11 1.17 -0.17 0.00 0.00 0.00 0.00 51.96 53.08 3aff s ALA 121 Cb 0.16 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.82 3aff s ALA 121 CO 0.61 -1.19 1.96 -0.35 0.00 0.00 0.00 175.76 176.79 3aff n PRO 122 N -1.09 2.88 -1.22 0.00 -0.04 -1.26 -4.28 135.00 129.99 3aff n PRO 122 Ca 0.11 -2.89 -0.20 0.00 -0.04 0.00 0.00 63.50 60.48 3aff n PRO 122 Cb 0.47 -3.40 0.14 0.00 -0.04 0.00 0.00 33.50 30.67 3aff n PRO 122 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3aff n MET 123 N 7.40 2.40 -3.03 0.54 2.81 -1.25 -4.96 117.12 121.03 3aff n MET 123 Ca 0.50 -3.31 0.00 0.00 -1.81 0.00 0.00 57.70 53.08 3aff n MET 123 Cb 0.43 -2.09 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 3aff n MET 123 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3aff n GLY 124 N -1.02 -1.22 3.37 3.03 0.00 -1.26 -2.19 105.19 105.90 3aff n GLY 124 Ca 0.49 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 3aff n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aff s ALA 125 N -1.21 -1.27 -0.22 4.61 0.00 -0.83 -4.09 121.76 118.76 3aff s ALA 125 Ca 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 3aff s ALA 125 Cb 0.00 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 3aff s ALA 125 CO 0.00 -0.66 -0.02 0.20 0.00 0.00 0.00 175.76 175.28 3aff s GLY 126 N -2.61 1.65 -0.18 0.00 0.00 -0.61 -2.28 107.32 103.29 3aff s GLY 126 Ca 0.01 -1.12 -0.13 0.00 0.00 0.00 0.00 44.72 43.47 3aff s GLY 126 CO -0.10 0.39 0.27 0.14 0.00 0.00 0.00 173.10 173.80 3aff s VAL 127 N 1.38 5.31 0.01 1.40 1.01 0.05 -0.05 120.40 129.51 3aff s VAL 127 Ca 0.05 0.48 -0.33 0.00 0.00 0.00 0.00 61.98 62.17 3aff s VAL 127 Cb -0.14 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 3aff s VAL 127 CO -0.01 0.37 1.80 0.52 0.00 0.00 0.00 175.10 177.78 3aff n VAL 128 N 3.78 0.42 -4.36 2.92 0.31 -0.12 -0.12 118.33 121.16 3aff n VAL 128 Ca -0.12 -0.08 -0.18 0.00 -0.01 0.00 0.00 64.34 63.95 3aff n VAL 128 Cb 0.52 -1.84 -0.10 0.00 -0.91 0.00 0.00 33.84 31.50 3aff n VAL 128 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3aff s VAL 129 N 3.12 0.82 0.04 2.52 -7.23 -0.70 -4.86 120.40 114.12 3aff s VAL 129 Ca 0.88 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.73 3aff s VAL 129 Cb -0.65 -2.63 -0.10 0.00 0.56 0.00 0.00 36.38 33.57 3aff s VAL 129 CO 0.46 -0.06 1.92 -0.67 -0.31 0.00 0.00 175.10 176.44 3aff n ASP 130 N -0.52 4.03 0.00 4.85 4.64 -1.26 -2.28 116.55 126.01 3aff n ASP 130 Ca -0.02 0.94 0.00 0.00 -1.38 0.00 0.00 54.79 54.33 3aff n ASP 130 Cb 0.66 -1.51 0.00 0.00 -1.04 0.00 0.00 41.12 39.23 3aff n ASP 130 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3aff n GLY 131 N 4.44 1.43 0.00 0.27 0.00 -1.26 -4.86 105.19 105.21 3aff n GLY 131 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3aff n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3aff n GLY 132 N -2.00 -0.66 3.08 -0.02 0.00 -0.97 -1.86 105.19 102.77 3aff n GLY 132 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 3aff n GLY 132 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3aff s TYR 133 N -1.22 -0.10 -0.30 1.61 2.02 -0.07 -1.72 117.35 117.57 3aff s TYR 133 Ca 0.00 0.22 -0.13 0.00 -0.37 0.00 0.00 57.07 56.79 3aff s TYR 133 Cb 0.00 0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.55 3aff s TYR 133 CO 0.00 -0.18 0.29 -1.17 -1.57 0.00 0.00 175.55 172.92 3aff s LEU 134 N -0.54 4.21 -0.12 -1.29 2.96 0.83 -0.52 118.68 124.21 3aff s LEU 134 Ca -0.06 -0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 3aff s LEU 134 Cb -0.04 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 3aff s LEU 134 CO 0.01 -0.19 0.00 -0.69 -1.32 0.00 0.00 176.35 174.16 3aff s VAL 135 N 1.91 4.29 0.00 1.68 1.01 -0.20 -0.77 120.40 128.31 3aff s VAL 135 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.85 3aff s VAL 135 Cb -0.16 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 3aff s VAL 135 CO 0.11 0.55 -0.01 0.20 0.00 0.00 0.00 175.10 175.95 3aff s ASN 136 N -0.29 0.08 0.00 3.32 0.01 -0.96 -1.36 114.94 115.74 3aff s ASN 136 Ca 0.06 -0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 3aff s ASN 136 Cb -0.12 0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.55 3aff s ASN 136 CO 0.02 -0.04 0.00 0.61 -1.51 0.00 0.00 177.10 176.18 3aff n GLY 137 N 2.83 -0.06 2.75 0.66 0.00 -0.49 -1.96 105.19 108.92 3aff n GLY 137 Ca -0.14 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 3aff n GLY 137 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3aff s SER 138 N 0.00 3.45 -0.22 1.61 0.15 -0.93 -1.24 113.70 116.52 3aff s SER 138 Ca 0.00 -1.18 -0.07 0.00 0.70 0.00 0.00 55.95 55.40 3aff s SER 138 Cb 0.00 -0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 63.53 3aff s SER 138 CO 0.00 -0.34 0.05 0.26 1.20 0.00 0.00 173.24 174.41 3aff s TRP 139 N 1.73 3.12 0.64 3.44 0.51 -0.39 -4.81 118.94 123.18 3aff s TRP 139 Ca 0.03 -0.27 0.03 0.00 -2.12 0.00 0.00 56.10 53.76 3aff s TRP 139 Cb -0.17 -2.15 0.10 0.00 -0.81 0.00 0.00 33.47 30.43 3aff s TRP 139 CO -0.15 -0.17 0.89 0.54 -0.51 0.00 0.00 176.95 177.54 3aff s ASN 140 N 1.09 4.74 -1.12 2.95 4.22 -1.26 -0.66 114.94 124.89 3aff s ASN 140 Ca 0.04 -0.47 -0.06 0.00 -2.14 0.00 0.00 52.86 50.22 3aff s ASN 140 Cb -0.14 -0.05 0.01 0.00 1.28 0.00 0.00 41.25 42.35 3aff s ASN 140 CO 0.03 -1.57 0.80 0.79 -2.04 0.00 0.00 177.10 175.11 3aff n TRP 141 N -2.56 -2.07 -3.08 1.54 7.02 -1.14 -4.79 117.44 112.37 3aff n TRP 141 Ca 0.14 0.69 -0.45 0.00 -1.02 0.00 0.00 57.50 56.86 3aff n TRP 141 Cb 0.61 -4.07 -0.02 0.00 -2.42 0.00 0.00 31.31 25.40 3aff n TRP 141 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3aff s SER 142 N -3.11 6.73 0.15 -0.99 0.15 -0.31 -4.82 113.70 111.49 3aff s SER 142 Ca 0.40 -2.38 -0.31 0.00 0.70 0.00 0.00 55.95 54.35 3aff s SER 142 Cb -0.18 -2.33 -0.10 0.00 -1.71 0.00 0.00 66.02 61.71 3aff s SER 142 CO 0.49 -0.85 1.68 -0.44 1.20 0.00 0.00 173.24 175.32 3aff s SER 143 N 2.99 6.51 -0.17 5.45 0.01 -1.26 -1.96 113.70 125.26 3aff s SER 143 Ca 0.28 2.68 0.00 0.00 1.31 0.00 0.00 55.95 60.22 3aff s SER 143 Cb -0.07 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.58 3aff s SER 143 CO -0.09 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.26 3aff n GLY 144 N 3.96 0.49 0.33 3.44 0.00 -0.27 -4.72 105.19 108.42 3aff n GLY 144 Ca 0.16 -0.22 0.17 0.00 0.00 0.00 0.00 46.02 46.12 3aff n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aff n ASP 146 N -3.76 0.17 -0.37 0.00 9.92 -1.26 -3.11 116.55 118.14 3aff n ASP 146 Ca 0.00 0.54 0.08 0.00 -0.53 0.00 0.00 54.79 54.88 3aff n ASP 146 Cb 0.27 -0.58 0.16 0.00 -0.64 0.00 0.00 41.12 40.32 3aff n ASP 146 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3aff n HIS 147 N -1.69 0.33 -4.55 1.24 8.25 0.10 -4.98 115.22 113.93 3aff n HIS 147 Ca 0.03 -0.83 -0.23 0.00 -0.26 0.00 0.00 57.72 56.43 3aff n HIS 147 Cb 0.18 -0.17 -0.14 0.00 1.12 0.00 0.00 29.99 30.98 3aff n HIS 147 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3aff s ALA 148 N -2.36 1.47 -1.67 -1.41 0.00 -1.18 -4.69 121.76 111.91 3aff s ALA 148 Ca 0.29 -0.91 0.15 0.00 0.00 0.00 0.00 51.96 51.49 3aff s ALA 148 Cb 0.24 -0.28 0.23 0.00 0.00 0.00 0.00 23.12 23.31 3aff s ALA 148 CO 0.06 0.32 1.12 -1.13 0.00 0.00 0.00 175.76 176.12 3aff n SER 149 N 2.00 2.64 -4.14 0.00 3.41 -0.82 -4.93 113.62 111.78 3aff n SER 149 Ca -0.17 -1.77 -0.11 0.00 -0.26 0.00 0.00 58.87 56.56 3aff n SER 149 Cb 0.54 -0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 3aff n SER 149 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3aff s TRP 150 N -1.17 0.81 0.04 7.33 0.52 -1.11 -0.57 118.94 124.79 3aff s TRP 150 Ca 0.23 -0.86 0.03 0.00 0.02 0.00 0.00 56.10 55.52 3aff s TRP 150 Cb 0.14 -0.48 -0.02 0.00 -1.15 0.00 0.00 33.47 31.96 3aff s TRP 150 CO 0.20 -0.16 -0.08 -0.08 0.02 0.00 0.00 176.95 176.84 3aff s THR 151 N -3.26 0.61 0.23 2.01 -1.32 -0.51 -0.87 115.64 112.52 3aff s THR 151 Ca 0.07 -1.03 -0.14 0.00 -1.21 0.00 0.00 61.69 59.39 3aff s THR 151 Cb 0.03 -0.65 -0.08 0.00 -1.51 0.00 0.00 72.50 70.29 3aff s THR 151 CO -0.04 -0.31 0.63 -0.36 -2.21 0.00 0.00 174.62 172.33 3aff s PHE 152 N -1.24 3.51 -0.01 9.09 0.08 0.64 -1.46 117.98 128.59 3aff s PHE 152 Ca -0.08 1.12 0.01 0.00 0.12 0.00 0.00 56.93 58.10 3aff s PHE 152 Cb -0.09 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.93 3aff s PHE 152 CO 0.01 0.28 -0.04 0.14 -0.10 0.00 0.00 175.22 175.51 3aff s VAL 153 N -1.70 0.39 0.07 -0.44 -7.23 -0.65 -2.00 120.40 108.84 3aff s VAL 153 Ca 0.45 -0.16 -0.01 0.00 -1.81 0.00 0.00 61.98 60.45 3aff s VAL 153 Cb -0.13 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 3aff s VAL 153 CO 0.20 0.14 0.23 -0.83 -0.31 0.00 0.00 175.10 174.52 3aff s GLY 154 N 0.21 2.20 0.00 2.32 0.00 -0.57 -0.41 107.32 111.06 3aff s GLY 154 Ca -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.91 3aff s GLY 154 CO -0.00 -0.75 0.00 0.61 0.00 0.00 0.00 173.10 172.95 3aff n GLY 155 N 0.32 0.42 3.85 0.20 0.00 -1.00 -3.81 105.19 105.17 3aff n GLY 155 Ca -0.05 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 3aff n GLY 155 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3aff s PRO 156 N -2.00 3.55 -0.19 1.61 0.04 -1.26 -2.05 135.00 134.70 3aff s PRO 156 Ca 0.00 0.87 -0.12 0.00 0.04 0.00 0.00 61.00 61.79 3aff s PRO 156 Cb 0.00 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 3aff s PRO 156 CO 0.00 -0.61 0.20 0.08 0.04 0.00 0.00 177.00 176.71 3aff s VAL 157 N -2.97 5.36 -0.19 -0.36 1.01 0.28 -1.57 120.40 121.97 3aff s VAL 157 Ca 0.57 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.86 3aff s VAL 157 Cb -0.12 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 3aff s VAL 157 CO 0.47 0.41 -0.08 -0.63 0.00 0.00 0.00 175.10 175.27 3aff s ILE 158 N 0.50 3.24 -0.05 2.22 1.01 0.93 -1.00 121.20 128.06 3aff s ILE 158 Ca 0.11 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.22 3aff s ILE 158 Cb -0.12 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.93 3aff s ILE 158 CO 0.01 0.46 -0.07 -0.75 0.00 0.00 0.00 174.94 174.59 3aff s LYS 159 N 1.08 1.11 -1.46 2.79 2.20 0.12 -0.94 119.74 124.64 3aff s LYS 159 Ca 0.01 -0.22 -0.10 0.00 -0.36 0.00 0.00 55.97 55.30 3aff s LYS 159 Cb -0.15 -1.01 0.06 0.00 -1.51 0.00 0.00 37.83 35.22 3aff s LYS 159 CO -0.01 -0.03 0.95 -0.25 -0.36 0.00 0.00 175.35 175.66 3aff n ASP 160 N 3.89 -4.22 0.00 1.43 8.00 -1.26 -2.06 116.55 122.33 3aff n ASP 160 Ca -0.24 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.50 3aff n ASP 160 Cb 0.51 -4.09 0.00 0.00 -0.02 0.00 0.00 41.12 37.52 3aff n ASP 160 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3aff n GLY 161 N -1.70 0.52 3.14 0.44 0.00 -1.26 -5.02 105.19 101.31 3aff n GLY 161 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3aff n GLY 161 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3aff s ARG 162 N -0.21 0.64 0.24 1.61 3.03 -0.87 -5.12 118.95 118.26 3aff s ARG 162 Ca 0.00 -0.72 -0.30 0.00 2.03 0.00 0.00 55.73 56.74 3aff s ARG 162 Cb 0.00 0.26 -0.10 0.00 -1.03 0.00 0.00 34.95 34.07 3aff s ARG 162 CO 0.00 -0.17 1.46 -2.14 -1.13 0.00 0.00 175.30 173.32 3aff s PRO 163 N -2.64 4.25 0.00 3.89 0.02 -1.26 -0.70 135.00 138.56 3aff s PRO 163 Ca -0.05 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.30 3aff s PRO 163 Cb -0.01 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.40 3aff s PRO 163 CO -0.05 -0.45 0.00 1.33 -0.33 0.00 0.00 177.00 177.50 3aff n VAL 164 N 2.49 0.00 -3.76 3.83 0.24 -0.17 -4.42 118.33 116.55 3aff n VAL 164 Ca 0.08 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.34 62.12 3aff n VAL 164 Cb 0.40 0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 33.60 3aff n VAL 164 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3aff s ASP 165 N -0.59 -0.25 -0.10 -1.34 -1.08 -1.22 -4.80 116.67 107.29 3aff s ASP 165 Ca 0.00 -0.43 -0.11 0.00 -0.52 0.00 0.00 52.55 51.49 3aff s ASP 165 Cb 0.00 0.58 0.03 0.00 -1.46 0.00 0.00 42.92 42.07 3aff s ASP 165 CO 0.00 -1.06 0.31 0.12 0.52 0.00 0.00 175.17 175.05 3aff s PHE 166 N -3.56 -0.32 -0.42 -5.34 5.36 -1.04 0.10 117.98 112.77 3aff s PHE 166 Ca 0.10 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 56.83 3aff s PHE 166 Cb -0.03 0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.76 3aff s PHE 166 CO 0.02 -0.19 0.00 0.41 -1.46 0.00 0.00 175.22 174.00 3aff n GLY 167 N 2.71 -0.72 3.41 13.12 0.00 -0.87 -1.54 105.19 121.31 3aff n GLY 167 Ca -0.14 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 3aff n GLY 167 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3aff s SER 168 N -4.00 3.99 -0.20 1.61 0.01 0.43 -2.38 113.70 113.16 3aff s SER 168 Ca 0.00 -0.27 -0.10 0.00 1.31 0.00 0.00 55.95 56.89 3aff s SER 168 Cb 0.00 -1.24 -0.05 0.00 0.21 0.00 0.00 66.02 64.94 3aff s SER 168 CO 0.00 0.25 0.14 -0.36 0.41 0.00 0.00 173.24 173.68 3aff s PHE 169 N -0.16 3.42 -0.26 2.43 0.08 0.45 -1.13 117.98 122.82 3aff s PHE 169 Ca -0.01 0.35 -0.09 0.00 0.12 0.00 0.00 56.93 57.30 3aff s PHE 169 Cb -0.13 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 3aff s PHE 169 CO 0.03 0.31 0.13 -1.17 -0.10 0.00 0.00 175.22 174.42 3aff s LEU 170 N 0.31 3.77 -0.03 -0.37 2.96 0.13 -1.64 118.68 123.81 3aff s LEU 170 Ca 0.09 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 3aff s LEU 170 Cb -0.11 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.56 3aff s LEU 170 CO -0.02 -0.02 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.30 3aff s ILE 171 N 1.54 0.68 0.53 6.68 1.01 -0.54 -4.90 121.20 126.20 3aff s ILE 171 Ca 0.06 -0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 3aff s ILE 171 Cb -0.15 -0.64 -0.07 0.00 0.01 0.00 0.00 42.46 41.61 3aff s ILE 171 CO 0.07 0.23 1.02 -2.16 0.00 0.00 0.00 174.94 174.10 3aff s PRO 172 N 0.48 3.72 0.48 2.79 0.04 -1.26 -1.43 135.00 139.81 3aff s PRO 172 Ca -0.07 1.14 0.21 0.00 0.04 0.00 0.00 61.00 62.31 3aff s PRO 172 Cb -0.11 -2.09 1.22 0.00 0.04 0.00 0.00 34.50 33.56 3aff s PRO 172 CO 0.01 -0.48 1.95 -0.09 0.04 0.00 0.00 177.00 178.43 3aff h ARG 173 N 0.96 0.21 0.00 4.56 9.65 -1.19 -0.63 114.38 127.94 3aff h ARG 173 Ca -0.48 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 3aff h ARG 173 Cb 1.20 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 3aff h ARG 173 CO 0.59 0.14 0.00 0.66 2.80 0.00 0.00 179.97 184.17 3aff h SER 174 N 0.22 0.00 -0.53 -3.80 4.64 -1.93 -2.95 113.55 109.20 3aff h SER 174 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3aff h SER 174 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3aff h SER 174 CO -0.07 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.27 3aff n GLU 175 N -2.73 2.54 -4.03 4.77 1.02 -0.24 -4.99 120.64 116.99 3aff n GLU 175 Ca -0.01 -2.36 -0.08 0.00 -0.02 0.00 0.00 57.16 54.69 3aff n GLU 175 Cb 0.16 -1.53 -0.09 0.00 -0.02 0.00 0.00 31.44 29.96 3aff n GLU 175 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3aff s TYR 176 N -1.31 0.41 -0.06 -0.32 -0.85 -1.12 -4.60 117.35 109.51 3aff s TYR 176 Ca 0.43 -0.91 0.02 0.00 -0.52 0.00 0.00 57.07 56.08 3aff s TYR 176 Cb 0.23 -0.30 -0.03 0.00 0.38 0.00 0.00 41.96 42.25 3aff s TYR 176 CO 0.32 -0.41 -0.10 -2.00 -1.52 0.00 0.00 175.55 171.84 3aff s GLU 177 N -3.73 2.63 -0.22 -3.49 2.12 -0.63 -4.93 118.70 110.45 3aff s GLU 177 Ca 0.05 -0.62 -0.17 0.00 0.36 0.00 0.00 54.97 54.59 3aff s GLU 177 Cb 0.06 -2.49 -0.04 0.00 0.26 0.00 0.00 34.13 31.93 3aff s GLU 177 CO -0.10 0.65 0.44 0.42 -0.54 0.00 0.00 175.26 176.13 3aff s ILE 178 N -0.78 5.16 -0.23 -3.70 1.01 -1.26 -0.10 121.20 121.31 3aff s ILE 178 Ca 0.12 0.77 -0.08 0.00 0.00 0.00 0.00 60.65 61.46 3aff s ILE 178 Cb -0.11 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3aff s ILE 178 CO 0.01 0.20 0.09 -0.75 0.00 0.00 0.00 174.94 174.50 3aff s LYS 179 N 1.60 3.87 -0.67 2.79 2.20 0.15 -4.97 119.74 124.71 3aff s LYS 179 Ca 0.20 -0.38 -0.27 0.00 -0.36 0.00 0.00 55.97 55.16 3aff s LYS 179 Cb -0.15 -3.35 0.03 0.00 -1.51 0.00 0.00 37.83 32.85 3aff s LYS 179 CO 0.09 0.03 1.22 0.34 -0.36 0.00 0.00 175.35 176.66 3aff s ASP 180 N 1.07 6.28 -0.04 1.43 2.15 -1.26 -2.32 116.67 123.98 3aff s ASP 180 Ca 0.05 -0.26 0.06 0.00 0.43 0.00 0.00 52.55 52.83 3aff s ASP 180 Cb -0.14 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 40.03 3aff s ASP 180 CO 0.04 -1.66 0.98 1.33 -0.17 0.00 0.00 175.17 175.69 3aff n VAL 181 N 6.46 1.07 -3.18 1.11 0.24 -1.26 -5.01 118.33 117.76 3aff n VAL 181 Ca 0.05 -1.19 -0.45 0.00 -2.04 0.00 0.00 64.34 60.70 3aff n VAL 181 Cb 0.49 0.32 -0.01 0.00 -1.47 0.00 0.00 33.84 33.17 3aff n VAL 181 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3aff s TRP 182 N -1.39 3.79 -0.34 6.34 -0.11 -1.26 -4.87 118.94 121.10 3aff s TRP 182 Ca 0.10 -2.19 0.00 0.00 1.22 0.00 0.00 56.10 55.24 3aff s TRP 182 Cb 0.09 -4.01 0.11 0.00 -1.50 0.00 0.00 33.47 28.15 3aff s TRP 182 CO 0.01 -1.15 0.12 0.71 -4.62 0.00 0.00 176.95 172.02 3aff s TYR 183 N 0.36 2.01 0.07 5.86 2.02 -1.26 -4.97 117.35 121.44 3aff s TYR 183 Ca 0.31 -2.01 -0.03 0.00 -0.37 0.00 0.00 57.07 54.96 3aff s TYR 183 Cb -0.08 -1.89 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 3aff s TYR 183 CO -0.07 -0.87 0.05 0.14 -1.57 0.00 0.00 175.55 173.24 3aff s VAL 184 N 1.31 0.18 0.26 0.71 -7.23 -1.26 -5.08 120.40 109.28 3aff s VAL 184 Ca 0.11 -1.63 -0.04 0.00 -1.81 0.00 0.00 61.98 58.61 3aff s VAL 184 Cb -0.19 -1.55 0.19 0.00 0.56 0.00 0.00 36.38 35.40 3aff s VAL 184 CO -0.19 -0.81 1.85 1.62 -0.31 0.00 0.00 175.10 177.26 3aff h VAL 185 N 2.98 1.24 -4.06 1.32 3.04 -1.99 -3.44 116.25 115.34 3aff h VAL 185 Ca -0.34 -0.69 -0.26 0.00 -1.01 0.00 0.00 66.70 64.41 3aff h VAL 185 Cb 1.17 0.28 -0.08 0.00 -2.01 0.00 0.00 31.29 30.65 3aff h VAL 185 CO 0.62 0.29 -0.16 -0.83 -1.01 0.00 0.00 177.57 176.47 3aff s GLY 186 N -3.39 1.42 -1.77 3.17 0.00 -1.26 -4.84 107.32 100.65 3aff s GLY 186 Ca -0.12 -1.47 -0.16 0.00 0.00 0.00 0.00 44.72 42.97 3aff s GLY 186 CO 0.82 -0.96 0.45 1.04 0.00 0.00 0.00 173.10 174.45 3aff n LEU 187 N -0.56 -0.99 0.13 0.66 4.77 -1.26 -4.85 117.00 114.91 3aff n LEU 187 Ca 0.00 -1.23 0.04 0.00 -0.03 0.00 0.00 56.01 54.79 3aff n LEU 187 Cb 0.61 -1.66 0.44 0.00 -2.33 0.00 0.00 43.42 40.48 3aff n LEU 187 CO 0.29 0.23 0.95 0.03 -1.33 0.00 0.00 177.39 177.56 3aff h ARG 188 N -1.21 0.22 -0.23 3.23 3.08 -1.88 -2.89 114.38 114.71 3aff h ARG 188 Ca -0.62 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.39 3aff h ARG 188 Cb 1.39 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3aff h ARG 188 CO 0.83 0.31 0.00 0.41 -1.07 0.00 0.00 179.97 180.45 3aff n GLY 189 N -1.04 -0.04 0.07 0.04 0.00 -1.26 -3.98 105.19 98.98 3aff n GLY 189 Ca -0.01 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.94 3aff n GLY 189 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3aff h THR 190 N 1.00 0.00 -6.72 2.61 1.35 -1.71 -2.65 112.91 106.80 3aff h THR 190 Ca 0.00 -0.51 -0.53 0.00 -0.55 0.00 0.00 66.41 64.82 3aff h THR 190 Cb 0.28 1.14 0.01 0.00 -1.73 0.00 0.00 68.15 67.85 3aff h THR 190 CO 0.01 0.00 -0.99 0.61 -0.25 0.00 0.00 175.52 174.90 3aff n GLY 191 N 1.33 -0.96 2.68 5.82 0.00 -0.84 -1.12 105.19 112.10 3aff n GLY 191 Ca 0.03 0.41 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 3aff n GLY 191 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3aff n SER 192 N -2.33 5.49 -3.92 1.61 7.64 -1.26 -3.44 113.62 117.41 3aff n SER 192 Ca -0.14 -2.93 -0.24 0.00 1.01 0.00 0.00 58.87 56.57 3aff n SER 192 Cb 0.59 -1.55 0.15 0.00 -1.01 0.00 0.00 64.21 62.39 3aff n SER 192 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3aff n ASN 193 N 4.45 0.54 -4.65 6.43 5.03 -1.21 -2.87 115.26 122.97 3aff n ASN 193 Ca 0.53 -1.66 -0.35 0.00 0.87 0.00 0.00 54.58 53.97 3aff n ASN 193 Cb 0.34 -0.77 -0.10 0.00 -1.02 0.00 0.00 39.78 38.23 3aff n ASN 193 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3aff s THR 194 N -3.24 4.69 -0.28 3.41 2.01 -0.98 -1.16 115.64 120.09 3aff s THR 194 Ca 0.64 -0.08 -0.10 0.00 0.31 0.00 0.00 61.69 62.46 3aff s THR 194 Cb -0.02 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 3aff s THR 194 CO 0.44 0.50 0.14 -0.76 -0.69 0.00 0.00 174.62 174.25 3aff s LEU 195 N 0.05 3.85 -0.23 4.42 1.43 0.16 0.31 118.68 128.67 3aff s LEU 195 Ca 0.05 -0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 3aff s LEU 195 Cb -0.12 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3aff s LEU 195 CO 0.01 -0.07 0.06 -0.69 0.23 0.00 0.00 176.35 175.89 3aff s VAL 196 N 1.69 4.35 -0.20 -1.59 1.01 0.86 -1.26 120.40 125.26 3aff s VAL 196 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3aff s VAL 196 Cb -0.16 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.24 3aff s VAL 196 CO 0.08 0.37 -0.17 -0.69 0.00 0.00 0.00 175.10 174.69 3aff s VAL 197 N 1.29 2.04 -0.19 2.92 1.01 -0.38 -1.60 120.40 125.49 3aff s VAL 197 Ca 0.05 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.93 3aff s VAL 197 Cb -0.15 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.33 3aff s VAL 197 CO 0.03 0.37 -0.14 -0.75 0.00 0.00 0.00 175.10 174.61 3aff s LYS 198 N 1.26 2.35 -1.29 2.72 2.20 -1.26 -1.40 119.74 124.32 3aff s LYS 198 Ca 0.01 -0.84 -0.20 0.00 -0.36 0.00 0.00 55.97 54.58 3aff s LYS 198 Cb -0.15 -2.44 0.02 0.00 -1.51 0.00 0.00 37.83 33.75 3aff s LYS 198 CO -0.11 -0.35 0.53 -0.25 -0.36 0.00 0.00 175.35 174.82 3aff n ASP 199 N 4.66 -2.83 -4.63 1.43 8.00 -1.07 -4.92 116.55 117.19 3aff n ASP 199 Ca -0.17 -1.20 -0.38 0.00 0.71 0.00 0.00 54.79 53.76 3aff n ASP 199 Cb 0.48 -2.22 -0.10 0.00 -0.02 0.00 0.00 41.12 39.26 3aff n ASP 199 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3aff s VAL 200 N -3.75 5.30 0.12 2.53 1.01 -0.46 -4.85 120.40 120.30 3aff s VAL 200 Ca 0.32 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 3aff s VAL 200 Cb -0.16 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 3aff s VAL 200 CO 0.94 0.27 1.17 0.12 0.00 0.00 0.00 175.10 177.61 3aff s PHE 201 N 1.50 3.47 -0.15 5.22 5.36 -1.26 -1.04 117.98 131.09 3aff s PHE 201 Ca 0.10 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.47 3aff s PHE 201 Cb -0.15 -3.38 0.03 0.00 -0.34 0.00 0.00 43.02 39.17 3aff s PHE 201 CO 0.08 -1.09 -0.11 0.08 -1.46 0.00 0.00 175.22 172.73 3aff s VAL 202 N 0.49 1.38 0.65 3.12 1.01 0.33 -4.97 120.40 122.41 3aff s VAL 202 Ca 0.55 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 3aff s VAL 202 Cb -0.30 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 3aff s VAL 202 CO 0.32 0.35 1.14 -2.16 0.00 0.00 0.00 175.10 174.75 3aff s PRO 203 N 1.55 2.76 0.39 2.72 0.04 -1.26 -0.89 135.00 140.31 3aff s PRO 203 Ca 0.04 1.53 0.15 0.00 0.04 0.00 0.00 61.00 62.76 3aff s PRO 203 Cb -0.13 -1.93 1.01 0.00 0.04 0.00 0.00 34.50 33.49 3aff s PRO 203 CO -0.09 -1.31 1.82 0.00 0.04 0.00 0.00 177.00 177.46 3aff h ARG 204 N 0.21 0.47 0.00 4.56 3.08 -1.71 0.18 114.38 121.16 3aff h ARG 204 Ca -0.48 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3aff h ARG 204 Cb 1.26 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3aff h ARG 204 CO 0.54 0.31 0.00 -2.39 -1.07 0.00 0.00 179.97 177.36 3aff n HIS 205 N -4.58 0.00 -1.35 3.04 1.44 -1.26 -2.05 115.22 110.45 3aff n HIS 205 Ca 0.21 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.88 3aff n HIS 205 Cb 0.71 -0.49 0.21 0.00 0.12 0.00 0.00 29.99 30.54 3aff n HIS 205 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3aff n ARG 206 N -1.49 2.08 -5.11 -1.40 1.74 0.05 -4.29 116.66 108.23 3aff n ARG 206 Ca 0.02 -3.11 -0.29 0.00 -0.77 0.00 0.00 57.85 53.70 3aff n ARG 206 Cb 0.11 -1.86 -0.16 0.00 -1.02 0.00 0.00 32.46 29.53 3aff n ARG 206 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3aff s PHE 207 N -3.18 2.12 -0.10 -1.55 5.36 -0.87 -0.69 117.98 119.07 3aff s PHE 207 Ca 0.46 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.87 3aff s PHE 207 Cb 0.40 -1.39 0.02 0.00 -0.34 0.00 0.00 43.02 41.71 3aff s PHE 207 CO 0.02 -0.15 -0.08 -1.17 -1.46 0.00 0.00 175.22 172.38 3aff s LEU 208 N -0.23 1.28 0.25 6.12 2.96 -0.28 -4.86 118.68 123.93 3aff s LEU 208 Ca 0.00 -0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 53.33 3aff s LEU 208 Cb -0.12 -0.81 -0.09 0.00 0.50 0.00 0.00 46.19 45.67 3aff s LEU 208 CO 0.02 -0.08 1.01 -0.55 -1.32 0.00 0.00 176.35 175.42 3aff s SER 209 N 1.44 7.49 0.31 3.68 0.15 -1.26 -0.43 113.70 125.07 3aff s SER 209 Ca -0.00 2.08 0.02 0.00 0.70 0.00 0.00 55.95 58.75 3aff s SER 209 Cb -0.13 -2.62 0.56 0.00 -1.71 0.00 0.00 66.02 62.12 3aff s SER 209 CO -0.05 0.03 1.91 1.88 1.20 0.00 0.00 173.24 178.20 3aff h TYR 210 N 4.04 1.02 0.24 3.44 -1.99 -1.63 -2.29 116.97 119.81 3aff h TYR 210 Ca -0.46 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.31 3aff h TYR 210 Cb 1.20 -0.33 -0.03 0.00 2.00 0.00 0.00 36.73 39.57 3aff h TYR 210 CO 0.60 0.52 -0.34 -0.22 -0.00 0.00 0.00 178.16 178.72 3aff h LYS 211 N 0.99 -0.62 -0.81 4.88 3.64 -1.93 -1.81 116.57 120.91 3aff h LYS 211 Ca 0.40 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.94 3aff h LYS 211 Cb 0.26 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.14 3aff h LYS 211 CO -0.16 -0.41 0.44 0.00 -2.27 0.00 0.00 179.45 177.05 3aff h ALA 212 N -0.09 1.18 0.05 5.00 0.00 -1.90 0.36 119.26 123.86 3aff h ALA 212 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3aff h ALA 212 Cb 0.62 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3aff h ALA 212 CO -0.12 -0.01 -0.11 0.52 0.00 0.00 0.00 179.25 179.54 3aff h MET 213 N 0.69 -0.20 0.00 0.00 2.86 -1.27 -1.38 114.93 115.63 3aff h MET 213 Ca 0.42 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 3aff h MET 213 Cb 0.48 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3aff h MET 213 CO -0.30 -0.14 0.00 -0.91 1.06 0.00 0.00 176.91 176.63 3aff h ASN 214 N -0.21 0.00 0.97 1.22 2.35 -0.92 -2.97 115.58 116.02 3aff h ASN 214 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3aff h ASN 214 Cb 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 3aff h ASN 214 CO -0.07 0.00 -0.04 0.44 -1.65 0.00 0.00 177.43 176.10 3aff h ASP 215 N 0.00 0.00 -1.14 5.81 3.32 -0.07 -3.47 116.42 120.86 3aff h ASP 215 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 3aff h ASP 215 Cb 0.69 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 3aff h ASP 215 CO 0.00 0.04 -0.26 1.41 -1.72 0.00 0.00 179.24 178.72 3aff n HIS 216 N -3.16 -0.29 -0.04 4.55 8.25 -1.01 -4.91 115.22 118.59 3aff n HIS 216 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.50 3aff n HIS 216 Cb 0.32 -2.41 0.08 0.00 1.12 0.00 0.00 29.99 29.10 3aff n HIS 216 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3aff n THR 217 N -3.39 0.85 -1.62 1.59 -2.24 -0.58 -5.02 114.28 103.87 3aff n THR 217 Ca -0.13 -0.92 -0.47 0.00 -2.27 0.00 0.00 64.05 60.25 3aff n THR 217 Cb 0.50 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 69.29 3aff n THR 217 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3aff n ALA 218 N 0.12 0.10 0.16 6.98 0.00 -0.84 -4.85 120.51 122.17 3aff n ALA 218 Ca 0.06 0.45 0.11 0.00 0.00 0.00 0.00 53.44 54.06 3aff n ALA 218 Cb 0.32 -2.16 0.62 0.00 0.00 0.00 0.00 19.45 18.24 3aff n ALA 218 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3aff h GLY 219 N 4.11 0.09 2.00 0.00 0.00 -1.81 -2.11 103.07 105.35 3aff h GLY 219 Ca -0.45 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3aff h GLY 219 CO 0.75 0.03 -0.08 -1.33 0.00 0.00 0.00 176.54 175.91 3aff h GLY 220 N 0.08 0.00 2.00 4.60 0.00 -0.17 -3.06 103.07 106.52 3aff h GLY 220 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 3aff h GLY 220 CO -0.01 0.00 -0.16 1.41 0.00 0.00 0.00 176.54 177.78 3aff h LEU 221 N 0.00 0.00 -0.78 3.11 3.38 -1.56 -1.00 115.31 118.47 3aff h LEU 221 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3aff h LEU 221 Cb 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3aff h LEU 221 CO 0.01 0.16 0.51 0.00 0.09 0.00 0.00 178.44 179.21 3aff h ALA 222 N 1.84 1.00 0.00 1.53 0.00 -1.74 -3.26 119.26 118.62 3aff h ALA 222 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3aff h ALA 222 Cb 0.58 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3aff h ALA 222 CO 0.02 0.38 -1.28 0.25 0.00 0.00 0.00 179.25 178.62 3aff n THR 223 N -4.56 0.06 -3.96 0.00 -2.24 -1.01 -4.78 114.28 97.79 3aff n THR 223 Ca 0.08 -0.23 -0.30 0.00 -2.27 0.00 0.00 64.05 61.33 3aff n THR 223 Cb 0.03 0.43 -0.14 0.00 -2.10 0.00 0.00 70.33 68.55 3aff n THR 223 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3aff s ASN 224 N -3.76 4.37 0.00 3.42 0.01 -0.41 -4.97 114.94 113.61 3aff s ASN 224 Ca 0.02 -2.88 0.23 0.00 -0.71 0.00 0.00 52.86 49.52 3aff s ASN 224 Cb 0.15 -1.63 0.15 0.00 0.41 0.00 0.00 41.25 40.33 3aff s ASN 224 CO 0.85 -0.25 1.17 -1.54 -1.51 0.00 0.00 177.10 175.83 3aff n SER 225 N 3.28 1.21 -4.53 -1.22 3.41 -1.26 -4.52 113.62 109.99 3aff n SER 225 Ca 0.05 -0.98 -0.44 0.00 -0.26 0.00 0.00 58.87 57.23 3aff n SER 225 Cb 0.34 0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 64.82 3aff n SER 225 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3aff n ALA 226 N -0.92 -0.90 0.31 7.33 0.00 -1.26 -4.83 120.51 120.23 3aff n ALA 226 Ca 0.07 0.33 0.20 0.00 0.00 0.00 0.00 53.44 54.04 3aff n ALA 226 Cb 0.37 -1.90 0.96 0.00 0.00 0.00 0.00 19.45 18.88 3aff n ALA 226 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3aff h PRO 227 N 1.52 0.00 0.00 0.00 0.13 -1.92 -2.45 132.00 129.29 3aff h PRO 227 Ca -0.38 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 3aff h PRO 227 Cb 1.37 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 3aff h PRO 227 CO 0.58 0.01 -0.07 -0.24 -0.23 0.00 0.00 178.00 178.05 3aff h VAL 228 N 0.00 0.76 0.00 1.56 3.04 -1.87 -0.42 116.25 119.32 3aff h VAL 228 Ca -0.00 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 3aff h VAL 228 Cb 0.24 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 3aff h VAL 228 CO 0.00 0.07 0.00 -1.22 -1.01 0.00 0.00 177.57 175.41 3aff n TYR 229 N -4.04 0.00 0.42 3.17 4.01 -0.92 -2.19 117.16 117.62 3aff n TYR 229 Ca -0.03 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.83 3aff n TYR 229 Cb 0.16 -0.20 0.22 0.00 -0.31 0.00 0.00 39.34 39.21 3aff n TYR 229 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3aff n LYS 230 N -1.20 2.45 -2.05 -0.72 5.02 -0.17 -4.97 118.16 116.53 3aff n LYS 230 Ca 0.15 -2.19 -0.39 0.00 -2.02 0.00 0.00 58.31 53.87 3aff n LYS 230 Cb 0.17 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3aff n LYS 230 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3aff s MET 231 N -1.55 3.75 0.32 1.97 -1.94 -0.93 -4.94 119.30 115.98 3aff s MET 231 Ca 0.38 2.08 -0.29 0.00 -1.71 0.00 0.00 55.69 56.15 3aff s MET 231 Cb 0.22 -2.57 -0.10 0.00 2.01 0.00 0.00 34.83 34.39 3aff s MET 231 CO 0.31 -0.64 1.20 -2.14 -0.01 0.00 0.00 175.02 173.74 3aff s PRO 232 N -2.48 4.45 0.32 2.03 0.02 -1.26 -4.92 135.00 133.16 3aff s PRO 232 Ca 0.61 2.00 0.05 0.00 0.02 0.00 0.00 61.00 63.68 3aff s PRO 232 Cb -0.36 -3.08 0.67 0.00 0.02 0.00 0.00 34.50 31.74 3aff s PRO 232 CO 0.45 -0.02 1.86 2.35 -0.33 0.00 0.00 177.00 181.31 3aff h TRP 233 N 3.50 0.99 0.00 6.54 2.91 -1.91 -0.65 115.95 127.32 3aff h TRP 233 Ca -0.48 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.57 3aff h TRP 233 Cb 1.22 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 29.56 3aff h TRP 233 CO 0.57 0.40 0.00 0.78 -1.03 0.00 0.00 178.44 179.16 3aff h GLY 234 N 0.86 0.00 0.13 2.65 0.00 -1.73 -0.25 103.07 104.74 3aff h GLY 234 Ca 0.46 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.48 3aff h GLY 234 CO -0.22 0.00 -1.73 2.41 0.00 0.00 0.00 176.54 177.00 3aff n THR 235 N -2.97 1.59 -0.14 4.70 -1.04 -0.67 -4.39 114.28 111.35 3aff n THR 235 Ca 0.00 -0.26 -0.09 0.00 -2.04 0.00 0.00 64.05 61.66 3aff n THR 235 Cb 0.26 -1.91 -0.01 0.00 -1.82 0.00 0.00 70.33 66.85 3aff n THR 235 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 3aff h MET 236 N -0.71 0.65 0.58 -2.82 -1.53 -0.92 -2.42 114.93 107.76 3aff h MET 236 Ca -0.45 -0.15 -0.03 0.00 -3.44 0.00 0.00 59.70 55.64 3aff h MET 236 Cb 1.55 -0.09 0.01 0.00 -0.55 0.00 0.00 31.60 32.52 3aff h MET 236 CO -0.18 0.65 -0.28 1.25 0.14 0.00 0.00 176.91 178.50 3aff h HIS 237 N 0.53 -0.72 0.00 1.39 6.17 -1.29 -2.17 115.15 119.06 3aff h HIS 237 Ca 0.13 -0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.12 3aff h HIS 237 Cb 0.28 0.24 -0.01 0.00 2.52 0.00 0.00 27.41 30.44 3aff h HIS 237 CO 0.01 -0.40 -0.34 -1.00 0.71 0.00 0.00 177.93 176.91 3aff h PRO 238 N -0.92 0.00 0.00 5.26 0.13 -1.76 -2.77 132.00 131.93 3aff h PRO 238 Ca -0.08 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.99 3aff h PRO 238 Cb 0.64 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 3aff h PRO 238 CO 0.13 0.34 -0.28 1.15 -0.23 0.00 0.00 178.00 179.11 3aff h THR 239 N 0.00 1.06 -0.72 1.56 2.02 -1.38 -0.92 112.91 114.54 3aff h THR 239 Ca -0.00 -1.01 0.19 0.00 0.77 0.00 0.00 66.41 66.36 3aff h THR 239 Cb 0.64 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.58 3aff h THR 239 CO 0.04 0.27 0.50 0.74 0.37 0.00 0.00 175.52 177.45 3aff h THR 240 N 0.00 0.68 0.02 3.16 2.02 -1.09 -1.07 112.91 116.63 3aff h THR 240 Ca -0.00 -0.03 -0.39 0.00 0.77 0.00 0.00 66.41 66.76 3aff h THR 240 Cb 0.54 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 3aff h THR 240 CO 0.04 0.02 -2.22 -0.38 0.37 0.00 0.00 175.52 173.34 3aff n ILE 241 N -4.37 1.56 -0.23 3.11 -0.00 -0.46 -4.38 119.36 114.59 3aff n ILE 241 Ca 0.14 -0.43 -0.06 0.00 -0.00 0.00 0.00 62.75 62.40 3aff n ILE 241 Cb 0.72 -1.74 0.04 0.00 -0.00 0.00 0.00 39.64 38.66 3aff n ILE 241 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 3aff h SER 242 N -0.51 0.78 0.52 4.38 0.02 -1.12 -3.00 113.55 114.63 3aff h SER 242 Ca -0.56 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.29 3aff h SER 242 Cb 1.72 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.07 3aff h SER 242 CO -0.20 0.63 -0.26 0.00 -1.14 0.00 0.00 176.83 175.86 3aff h ALA 243 N 1.18 -0.72 -0.12 3.77 0.00 -1.41 -0.28 119.26 121.68 3aff h ALA 243 Ca 0.23 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3aff h ALA 243 Cb 0.01 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3aff h ALA 243 CO -0.04 -0.91 0.09 -1.00 0.00 0.00 0.00 179.25 177.39 3aff h PRO 244 N -0.72 0.02 -0.15 0.00 0.13 -1.76 -1.38 132.00 128.14 3aff h PRO 244 Ca -0.07 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 3aff h PRO 244 Cb 0.56 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 3aff h PRO 244 CO 0.11 0.01 0.01 0.82 -0.23 0.00 0.00 178.00 178.72 3aff h ILE 245 N 0.02 1.24 -0.54 -3.56 2.04 -1.28 0.96 117.51 116.39 3aff h ILE 245 Ca 0.06 -0.79 0.09 0.00 1.00 0.00 0.00 64.86 65.21 3aff h ILE 245 Cb 0.20 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 3aff h ILE 245 CO -0.00 0.23 0.16 0.58 0.00 0.00 0.00 178.15 179.12 3aff h VAL 246 N 0.02 0.75 -0.90 1.67 2.07 -0.82 -2.19 116.25 116.85 3aff h VAL 246 Ca 0.04 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.53 3aff h VAL 246 Cb 0.35 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 3aff h VAL 246 CO 0.01 0.06 0.59 1.23 0.02 0.00 0.00 177.57 179.47 3aff h GLY 247 N 0.31 1.32 1.93 2.17 0.00 -0.87 0.31 103.07 108.24 3aff h GLY 247 Ca 0.27 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.21 3aff h GLY 247 CO -0.31 0.27 0.02 -0.33 0.00 0.00 0.00 176.54 176.19 3aff h MET 248 N 0.99 0.00 -0.32 4.80 2.07 -0.17 -1.97 114.93 120.33 3aff h MET 248 Ca 0.40 0.00 -0.14 0.00 -2.07 0.00 0.00 59.70 57.89 3aff h MET 248 Cb 0.27 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.99 3aff h MET 248 CO -0.16 0.00 -0.37 0.00 1.07 0.00 0.00 176.91 177.45 3aff h ALA 249 N 1.98 0.75 -0.09 6.32 0.00 -0.74 -0.35 119.26 127.14 3aff h ALA 249 Ca 0.02 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.51 3aff h ALA 249 Cb 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3aff h ALA 249 CO -0.00 0.66 0.06 1.88 0.00 0.00 0.00 179.25 181.85 3aff h TYR 250 N 0.61 0.04 0.23 0.00 -1.99 -1.19 -1.39 116.97 113.28 3aff h TYR 250 Ca 0.06 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.48 3aff h TYR 250 Cb 0.91 -0.01 0.03 0.00 2.00 0.00 0.00 36.73 39.66 3aff h TYR 250 CO 0.05 0.02 -1.37 0.78 -0.00 0.00 0.00 178.16 177.64 3aff h GLY 251 N 0.04 0.55 1.02 3.88 0.00 -0.70 -2.52 103.07 105.35 3aff h GLY 251 Ca 0.04 -1.41 -0.00 0.00 0.00 0.00 0.00 47.33 45.96 3aff h GLY 251 CO -0.00 1.23 0.56 0.00 0.00 0.00 0.00 176.54 178.33 3aff h ALA 252 N 0.13 1.18 -0.54 3.60 0.00 -0.95 -0.24 119.26 122.43 3aff h ALA 252 Ca -0.24 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 3aff h ALA 252 Cb 2.05 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 3aff h ALA 252 CO 0.24 0.64 -0.01 -0.92 0.00 0.00 0.00 179.25 179.20 3aff h TYR 253 N 1.28 1.01 0.04 0.00 3.20 -1.24 -1.96 116.97 119.31 3aff h TYR 253 Ca 0.33 -0.16 -0.23 0.00 3.14 0.00 0.00 58.73 61.81 3aff h TYR 253 Cb -0.06 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 3aff h TYR 253 CO 0.00 0.92 -1.05 0.00 -1.64 0.00 0.00 178.16 176.39 3aff h ALA 254 N 1.12 0.31 -0.12 1.82 0.00 -1.13 -1.97 119.26 119.28 3aff h ALA 254 Ca 0.16 -0.87 0.03 0.00 0.00 0.00 0.00 54.91 54.23 3aff h ALA 254 Cb 0.52 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3aff h ALA 254 CO 0.03 1.11 0.09 0.00 0.00 0.00 0.00 179.25 180.48 3aff h ALA 255 N 0.88 2.04 0.18 0.00 0.00 -0.97 -0.90 119.26 120.49 3aff h ALA 255 Ca -0.05 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.53 3aff h ALA 255 Cb 1.78 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.59 3aff h ALA 255 CO 0.15 -0.15 -1.57 1.25 0.00 0.00 0.00 179.25 178.93 3aff h HIS 256 N 0.00 0.69 0.62 0.00 6.17 -0.76 -3.37 115.15 118.50 3aff h HIS 256 Ca 0.06 -0.50 -0.03 0.00 0.71 0.00 0.00 60.37 60.60 3aff h HIS 256 Cb 0.23 -0.03 0.01 0.00 2.52 0.00 0.00 27.41 30.14 3aff h HIS 256 CO 0.00 1.53 -0.30 0.28 0.71 0.00 0.00 177.93 180.15 3aff h VAL 257 N 0.10 0.00 -0.28 5.26 2.07 -1.28 -3.38 116.25 118.75 3aff h VAL 257 Ca -0.27 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 3aff h VAL 257 Cb 2.08 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3aff h VAL 257 CO 0.20 0.00 0.30 -0.70 0.02 0.00 0.00 177.57 177.39 3aff s GLU 258 N -4.63 1.62 0.00 1.57 2.56 -0.35 -5.11 118.70 114.36 3aff s GLU 258 Ca -0.12 -0.37 0.00 0.00 0.00 0.00 0.00 54.97 54.48 3aff s GLU 258 Cb 0.01 -5.00 0.00 0.00 2.00 0.00 0.00 34.13 31.14 3aff s GLU 258 CO 0.36 -4.83 0.00 1.58 -0.56 0.00 0.00 175.26 171.81 3aff n HIS 259 N 18.02 0.00 0.00 5.30 -0.00 -1.26 -4.79 115.22 132.49 3aff n HIS 259 Ca 0.43 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.61 3aff n HIS 259 Cb 0.46 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.33 3aff n HIS 259 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3aff n ALA 284 N 0.00 2.68 1.35 1.57 0.00 -1.26 -5.03 120.51 119.82 3aff n ALA 284 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3aff n ALA 284 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.88 3aff n ALA 284 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3aff n GLU 285 N -2.02 1.66 0.48 0.00 4.71 -1.26 -4.68 120.64 119.54 3aff n GLU 285 Ca 0.00 -0.99 -0.19 0.00 -0.01 0.00 0.00 57.16 55.97 3aff n GLU 285 Cb 0.00 -1.41 -0.09 0.00 -1.01 0.00 0.00 31.44 28.92 3aff n GLU 285 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3aff h ALA 286 N 4.11 -1.32 -0.88 0.62 0.00 -1.98 0.32 119.26 120.13 3aff h ALA 286 Ca 0.00 -0.27 0.21 0.00 0.00 0.00 0.00 54.91 54.85 3aff h ALA 286 Cb 0.46 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 3aff h ALA 286 CO 0.00 -1.24 0.59 0.00 0.00 0.00 0.00 179.25 178.59 3aff h ALA 287 N -1.35 2.31 0.00 0.00 0.00 -1.98 -1.70 119.26 116.55 3aff h ALA 287 Ca -0.12 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 3aff h ALA 287 Cb 0.97 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3aff h ALA 287 CO 0.18 -0.58 -1.97 -1.13 0.00 0.00 0.00 179.25 175.75 3aff n SER 288 N -4.47 0.31 0.11 0.00 3.41 -1.04 -2.54 113.62 109.40 3aff n SER 288 Ca 0.18 0.14 0.02 0.00 -0.26 0.00 0.00 58.87 58.95 3aff n SER 288 Cb 0.72 0.91 0.36 0.00 -0.26 0.00 0.00 64.21 65.95 3aff n SER 288 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3aff h ASP 289 N 0.00 0.25 -0.01 4.04 3.32 0.18 -0.98 116.42 123.22 3aff h ASP 289 Ca -0.29 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 3aff h ASP 289 Cb 1.76 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 41.24 3aff h ASP 289 CO 0.03 0.43 -0.02 0.40 -1.72 0.00 0.00 179.24 178.36 3aff h ILE 290 N 0.25 1.42 -0.69 0.35 2.04 -1.40 -2.12 117.51 117.36 3aff h ILE 290 Ca 0.05 -1.27 0.14 0.00 1.00 0.00 0.00 64.86 64.78 3aff h ILE 290 Cb 0.42 2.25 -0.10 0.00 -0.74 0.00 0.00 36.82 38.65 3aff h ILE 290 CO 0.03 0.33 0.19 -0.78 0.00 0.00 0.00 178.15 177.92 3aff h ASP 291 N -0.48 0.08 0.13 1.72 1.82 -1.46 -0.21 116.42 118.01 3aff h ASP 291 Ca 0.00 0.12 -0.10 0.00 -0.39 0.00 0.00 57.03 56.67 3aff h ASP 291 Cb 0.56 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 3aff h ASP 291 CO 0.00 0.02 -0.34 0.00 -1.61 0.00 0.00 179.24 177.32 3aff h ALA 292 N 1.54 1.15 -0.16 -0.78 0.00 -1.19 -0.83 119.26 118.98 3aff h ALA 292 Ca 0.37 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3aff h ALA 292 Cb 0.59 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3aff h ALA 292 CO -0.44 0.55 -0.07 0.00 0.00 0.00 0.00 179.25 179.30 3aff h ALA 293 N 1.38 0.23 -0.10 0.00 0.00 -0.75 -2.49 119.26 117.53 3aff h ALA 293 Ca 0.03 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3aff h ALA 293 Cb 0.73 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 3aff h ALA 293 CO 0.06 0.03 -0.17 2.35 0.00 0.00 0.00 179.25 181.51 3aff h TRP 294 N 0.02 -0.43 -0.85 0.00 2.91 -0.94 -1.92 115.95 114.73 3aff h TRP 294 Ca 0.04 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.09 3aff h TRP 294 Cb 0.53 0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 29.35 3aff h TRP 294 CO 0.06 -0.24 0.57 0.00 -1.03 0.00 0.00 178.44 177.80 3aff h ARG 295 N -0.22 1.12 0.09 2.65 3.08 -1.14 -1.06 114.38 118.89 3aff h ARG 295 Ca 0.09 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3aff h ARG 295 Cb 0.35 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3aff h ARG 295 CO -0.23 0.74 -0.06 0.37 -1.07 0.00 0.00 179.97 179.72 3aff h GLN 296 N 1.15 -0.14 0.21 0.04 4.15 -1.38 0.32 115.11 119.46 3aff h GLN 296 Ca 0.31 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.73 3aff h GLN 296 Cb -0.13 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.60 3aff h GLN 296 CO -0.07 -0.09 -0.10 1.25 -1.93 0.00 0.00 178.83 177.89 3aff h LEU 297 N -0.15 -0.23 -0.55 -2.39 5.85 -0.77 -2.98 115.31 114.09 3aff h LEU 297 Ca -0.00 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 3aff h LEU 297 Cb 0.13 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3aff h LEU 297 CO 0.00 -0.05 -0.56 -0.29 -0.34 0.00 0.00 178.44 177.20 3aff h ILE 298 N -0.42 1.15 -0.98 4.05 6.09 -1.30 -3.06 117.51 123.06 3aff h ILE 298 Ca -0.03 -2.12 0.13 0.00 -1.37 0.00 0.00 64.86 61.46 3aff h ILE 298 Cb 0.32 2.23 -0.09 0.00 0.47 0.00 0.00 36.82 39.76 3aff h ILE 298 CO 0.05 0.55 0.60 1.23 -3.07 0.00 0.00 178.15 177.51 3aff h GLY 299 N 2.46 1.60 1.32 8.18 0.00 -0.20 -1.52 103.07 114.91 3aff h GLY 299 Ca -0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 3aff h GLY 299 CO 0.07 0.12 -0.09 3.43 0.00 0.00 0.00 176.54 180.08 3aff h ASN 300 N 0.93 0.79 -0.21 0.19 -0.26 -1.42 -1.25 115.58 114.35 3aff h ASN 300 Ca 0.49 -0.23 -0.01 0.00 -0.56 0.00 0.00 56.30 55.99 3aff h ASN 300 Cb 0.52 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 3aff h ASN 300 CO -0.28 0.91 0.08 0.58 -1.06 0.00 0.00 177.43 177.66 3aff h VAL 301 N 0.73 1.17 -0.03 2.81 2.07 -1.45 -2.02 116.25 119.53 3aff h VAL 301 Ca 0.13 -0.52 -0.21 0.00 0.82 0.00 0.00 66.70 66.91 3aff h VAL 301 Cb 0.57 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3aff h VAL 301 CO 0.03 0.17 -0.87 0.77 0.02 0.00 0.00 177.57 177.70 3aff h SER 302 N 0.19 0.52 -0.50 0.57 4.64 -1.23 -0.19 113.55 117.55 3aff h SER 302 Ca 0.07 -0.39 0.07 0.00 -0.47 0.00 0.00 61.79 61.07 3aff h SER 302 Cb 0.19 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.06 3aff h SER 302 CO -0.00 1.17 0.16 0.44 -0.87 0.00 0.00 176.83 177.72 3aff h ASP 303 N 0.25 0.13 0.10 4.97 5.19 -1.28 0.19 116.42 125.97 3aff h ASP 303 Ca -0.06 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3aff h ASP 303 Cb 1.48 0.07 0.00 0.00 0.18 0.00 0.00 39.33 41.06 3aff h ASP 303 CO 0.15 0.10 -0.05 -0.33 -3.12 0.00 0.00 179.24 175.99 3aff h GLU 304 N 0.32 -0.13 -0.18 3.56 5.08 -1.05 -2.85 114.58 119.33 3aff h GLU 304 Ca 0.24 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 3aff h GLU 304 Cb 0.28 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3aff h GLU 304 CO -0.27 0.03 -0.04 -0.92 -1.00 0.00 0.00 179.01 176.81 3aff h TYR 305 N -0.26 0.27 -0.24 4.33 3.20 -0.73 -2.43 116.97 121.11 3aff h TYR 305 Ca -0.01 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 3aff h TYR 305 Cb 0.22 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3aff h TYR 305 CO -0.03 0.32 -0.34 0.00 -1.64 0.00 0.00 178.16 176.46 3aff h ALA 306 N 1.71 0.96 -0.46 1.82 0.00 -0.54 0.30 119.26 123.05 3aff h ALA 306 Ca 0.06 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 3aff h ALA 306 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3aff h ALA 306 CO 0.01 0.61 -0.20 -0.07 0.00 0.00 0.00 179.25 179.60 3aff h LEU 307 N 0.43 0.97 -0.15 0.00 3.38 -1.20 -2.98 115.31 115.76 3aff h LEU 307 Ca 0.05 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 3aff h LEU 307 Cb 0.81 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3aff h LEU 307 CO 0.07 1.15 -0.01 -0.07 0.09 0.00 0.00 178.44 179.66 3aff h LEU 308 N 0.78 0.26 -1.13 1.67 3.38 -1.25 1.00 115.31 120.02 3aff h LEU 308 Ca 0.10 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3aff h LEU 308 Cb 0.77 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3aff h LEU 308 CO 0.06 0.53 0.00 0.00 0.09 0.00 0.00 178.44 179.13 3aff n ALA 309 N -2.32 1.04 -0.68 1.53 0.00 0.07 -0.48 120.51 119.66 3aff n ALA 309 Ca -0.05 0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.62 3aff n ALA 309 Cb 0.23 -1.25 0.27 0.00 0.00 0.00 0.00 19.45 18.70 3aff n ALA 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3aff n ALA 310 N -1.72 2.89 -2.38 0.00 0.00 -1.08 -4.95 120.51 113.27 3aff n ALA 310 Ca -0.01 -1.80 -0.16 0.00 0.00 0.00 0.00 53.44 51.48 3aff n ALA 310 Cb 0.03 -0.75 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 3aff n ALA 310 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3aff n GLY 311 N 0.27 -0.40 3.97 0.00 0.00 0.36 -5.01 105.19 104.38 3aff n GLY 311 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 3aff n GLY 311 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aff s LYS 312 N -4.95 3.14 0.33 1.61 1.02 0.34 -4.97 119.74 116.25 3aff s LYS 312 Ca 0.00 -0.69 -0.14 0.00 0.02 0.00 0.00 55.97 55.16 3aff s LYS 312 Cb 0.00 -2.69 -0.08 0.00 -0.52 0.00 0.00 37.83 34.54 3aff s LYS 312 CO 0.00 -0.07 0.72 -1.21 -0.92 0.00 0.00 175.35 173.87 3aff s GLU 313 N -4.36 3.95 -0.23 1.68 2.02 -1.26 -3.76 118.70 116.75 3aff s GLU 313 Ca 0.45 0.60 -0.21 0.00 0.02 0.00 0.00 54.97 55.84 3aff s GLU 313 Cb -0.10 -2.45 -0.02 0.00 0.10 0.00 0.00 34.13 31.67 3aff s GLU 313 CO 0.35 0.14 0.64 0.42 0.02 0.00 0.00 175.26 176.83 3aff s ILE 314 N -2.02 4.99 0.33 -1.63 1.01 -1.26 -4.91 121.20 117.70 3aff s ILE 314 Ca 0.53 1.18 -0.29 0.00 0.00 0.00 0.00 60.65 62.07 3aff s ILE 314 Cb -0.10 -3.95 -0.11 0.00 0.01 0.00 0.00 42.46 38.31 3aff s ILE 314 CO 0.20 0.06 1.46 -2.84 0.00 0.00 0.00 174.94 173.81 3aff s PRO 315 N 2.26 4.19 0.27 2.79 0.02 -1.26 -4.94 135.00 138.33 3aff s PRO 315 Ca 0.28 2.45 -0.05 0.00 0.02 0.00 0.00 61.00 63.69 3aff s PRO 315 Cb -0.16 -3.03 0.52 0.00 0.02 0.00 0.00 34.50 31.85 3aff s PRO 315 CO 0.09 -0.46 1.60 0.35 -0.33 0.00 0.00 177.00 178.26 3aff h PHE 316 N 3.79 -0.18 -0.98 6.54 3.57 -2.00 -1.59 116.94 126.09 3aff h PHE 316 Ca -0.49 0.07 0.21 0.00 3.53 0.00 0.00 57.97 61.29 3aff h PHE 316 Cb 1.23 0.22 -0.09 0.00 2.79 0.00 0.00 35.95 40.10 3aff h PHE 316 CO 0.56 -0.34 0.62 1.49 -2.23 0.00 0.00 178.31 178.41 3aff h GLU 317 N 0.04 0.55 -0.10 1.11 4.22 -1.99 0.15 114.58 118.56 3aff h GLU 317 Ca 0.47 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.83 3aff h GLU 317 Cb 0.85 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 3aff h GLU 317 CO -0.82 0.36 -0.15 1.25 -2.18 0.00 0.00 179.01 177.48 3aff h LEU 318 N 0.56 0.31 -1.11 1.64 5.85 -1.67 -1.82 115.31 119.07 3aff h LEU 318 Ca 0.55 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3aff h LEU 318 Cb 1.13 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3aff h LEU 318 CO -0.30 0.77 0.30 0.03 -0.34 0.00 0.00 178.44 178.91 3aff h ARG 319 N -0.15 0.93 -0.57 1.25 3.08 -0.96 -0.94 114.38 117.02 3aff h ARG 319 Ca 0.01 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 3aff h ARG 319 Cb 0.70 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3aff h ARG 319 CO 0.03 0.72 0.06 0.00 -1.07 0.00 0.00 179.97 179.72 3aff h ALA 320 N 1.41 0.76 -0.36 0.04 0.00 -0.71 -1.89 119.26 118.51 3aff h ALA 320 Ca 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3aff h ALA 320 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3aff h ALA 320 CO -0.03 0.53 0.20 -0.09 0.00 0.00 0.00 179.25 179.86 3aff h ARG 321 N 0.85 0.49 -0.73 0.00 2.43 -1.11 -2.11 114.38 114.20 3aff h ARG 321 Ca 0.17 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3aff h ARG 321 Cb 0.46 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 3aff h ARG 321 CO 0.02 0.39 0.45 0.00 -1.51 0.00 0.00 179.97 179.32 3aff h ALA 322 N 1.07 0.93 -0.07 2.80 0.00 -1.03 -2.07 119.26 120.89 3aff h ALA 322 Ca 0.13 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3aff h ALA 322 Cb 0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3aff h ALA 322 CO -0.02 0.39 -0.14 0.00 0.00 0.00 0.00 179.25 179.48 3aff h ARG 323 N 0.99 -0.19 0.00 0.00 2.47 -1.21 -2.49 114.38 113.96 3aff h ARG 323 Ca 0.26 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.97 3aff h ARG 323 Cb -0.05 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.31 3aff h ARG 323 CO -0.05 -0.13 -0.10 0.07 0.56 0.00 0.00 179.97 180.32 3aff h ARG 324 N -0.20 0.00 0.00 0.04 0.11 -1.20 -2.56 114.38 110.58 3aff h ARG 324 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 3aff h ARG 324 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 3aff h ARG 324 CO -0.19 0.10 -0.23 -0.25 0.10 0.00 0.00 179.97 179.50 3aff n ASP 325 N -4.11 0.73 -0.01 0.08 8.00 -0.79 -2.92 116.55 117.52 3aff n ASP 325 Ca -0.03 0.39 -0.09 0.00 0.71 0.00 0.00 54.79 55.78 3aff n ASP 325 Cb 0.18 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.83 3aff n ASP 325 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3aff h GLN 326 N 0.00 -0.23 -0.04 -1.24 1.08 -1.01 -0.74 115.11 112.94 3aff h GLN 326 Ca 0.00 0.02 -0.22 0.00 -1.45 0.00 0.00 58.65 56.99 3aff h GLN 326 Cb 0.72 0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.21 3aff h GLN 326 CO 0.00 -0.15 -0.89 -0.39 -0.95 0.00 0.00 178.83 176.45 3aff h VAL 327 N -0.23 1.36 -0.54 -0.54 -1.51 -1.69 -1.82 116.25 111.27 3aff h VAL 327 Ca 0.11 -2.28 0.03 0.00 -1.23 0.00 0.00 66.70 63.32 3aff h VAL 327 Cb 0.39 2.29 -0.04 0.00 -2.13 0.00 0.00 31.29 31.80 3aff h VAL 327 CO -0.29 0.69 0.32 0.03 -1.23 0.00 0.00 177.57 177.09 3aff h ARG 328 N 0.31 0.63 0.01 5.19 3.08 -1.49 0.16 114.38 122.26 3aff h ARG 328 Ca -0.07 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 3aff h ARG 328 Cb 1.52 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 31.44 3aff h ARG 328 CO 0.16 0.41 -0.57 0.00 -1.07 0.00 0.00 179.97 178.90 3aff h ALA 329 N 1.24 0.06 -0.02 0.04 0.00 -1.10 -1.18 119.26 118.30 3aff h ALA 329 Ca 0.22 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3aff h ALA 329 Cb 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3aff h ALA 329 CO -0.10 0.32 -0.47 1.79 0.00 0.00 0.00 179.25 180.80 3aff h THR 330 N -0.16 1.34 0.11 0.00 1.35 -1.31 -1.82 112.91 112.42 3aff h THR 330 Ca -0.07 -1.63 -0.01 0.00 -0.55 0.00 0.00 66.41 64.15 3aff h THR 330 Cb 1.30 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 3aff h THR 330 CO 0.11 0.47 -0.06 1.23 -0.25 0.00 0.00 175.52 177.03 3aff h GLY 331 N 1.40 -0.16 0.61 5.82 0.00 -0.69 -0.60 103.07 109.44 3aff h GLY 331 Ca -0.00 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.45 3aff h GLY 331 CO 0.06 -0.06 0.29 3.21 0.00 0.00 0.00 176.54 180.04 3aff h ARG 332 N -0.36 0.52 -0.43 4.80 3.08 -1.16 -1.72 114.38 119.11 3aff h ARG 332 Ca -0.02 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3aff h ARG 332 Cb 0.30 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3aff h ARG 332 CO 0.03 0.34 0.27 0.77 -1.07 0.00 0.00 179.97 180.31 3aff h SER 333 N 0.54 0.45 0.26 7.04 0.02 -1.22 -2.34 113.55 118.29 3aff h SER 333 Ca 0.28 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.09 3aff h SER 333 Cb 0.23 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3aff h SER 333 CO -0.21 0.32 -0.53 0.40 -1.14 0.00 0.00 176.83 175.67 3aff h ILE 334 N 0.54 1.35 -0.73 3.27 2.04 -1.01 -1.31 117.51 121.66 3aff h ILE 334 Ca 0.16 -1.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.22 3aff h ILE 334 Cb -0.02 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 3aff h ILE 334 CO -0.06 0.54 0.45 0.00 0.00 0.00 0.00 178.15 179.08 3aff h ALA 335 N 1.21 0.93 -0.62 1.87 0.00 -1.20 -0.78 119.26 120.66 3aff h ALA 335 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3aff h ALA 335 Cb 1.01 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3aff h ALA 335 CO 0.09 0.38 0.24 0.77 0.00 0.00 0.00 179.25 180.73 3aff h SER 336 N 0.99 0.87 -0.43 0.00 0.02 -1.11 -2.18 113.55 111.72 3aff h SER 336 Ca 0.26 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3aff h SER 336 Cb -0.06 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 3aff h SER 336 CO -0.05 0.81 0.18 0.40 -1.14 0.00 0.00 176.83 177.03 3aff h ILE 337 N 0.87 1.20 -0.90 3.27 2.04 -0.98 -1.54 117.51 121.48 3aff h ILE 337 Ca 0.21 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3aff h ILE 337 Cb 0.22 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3aff h ILE 337 CO -0.01 0.22 0.54 0.44 0.00 0.00 0.00 178.15 179.34 3aff h ASP 338 N 0.55 1.07 -0.01 1.72 3.32 -0.89 0.18 116.42 122.37 3aff h ASP 338 Ca 0.14 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3aff h ASP 338 Cb 0.18 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3aff h ASP 338 CO -0.01 0.82 -0.00 0.03 -1.72 0.00 0.00 179.24 178.36 3aff h ARG 339 N 1.23 0.00 -0.70 3.56 -0.00 -1.27 -2.42 114.38 114.78 3aff h ARG 339 Ca 0.32 -0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.81 3aff h ARG 339 Cb -0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 29.97 29.88 3aff h ARG 339 CO -0.06 0.00 0.46 -0.07 0.00 0.00 0.00 179.97 180.30 3aff h LEU 340 N 0.00 0.81 -1.05 3.04 3.38 -1.07 -2.06 115.31 118.36 3aff h LEU 340 Ca 0.00 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3aff h LEU 340 Cb 0.00 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 3aff h LEU 340 CO -0.01 0.59 0.63 0.15 0.09 0.00 0.00 178.44 179.90 3aff h PHE 341 N 0.95 1.16 -0.01 1.13 3.57 -0.85 -1.74 116.94 121.16 3aff h PHE 341 Ca 0.26 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.79 3aff h PHE 341 Cb -0.11 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.25 3aff h PHE 341 CO -0.02 0.62 -0.05 0.39 -2.23 0.00 0.00 178.31 177.02 3aff n GLU 342 N -4.48 1.15 -1.42 1.11 1.02 -0.92 -3.90 120.64 113.20 3aff n GLU 342 Ca 0.14 -0.45 -0.05 0.00 -0.02 0.00 0.00 57.16 56.78 3aff n GLU 342 Cb 0.17 -1.49 0.11 0.00 -0.02 0.00 0.00 31.44 30.20 3aff n GLU 342 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3aff n ALA 343 N -0.53 3.87 -1.80 0.62 0.00 -0.66 -4.76 120.51 117.25 3aff n ALA 343 Ca 0.19 -3.31 0.06 0.00 0.00 0.00 0.00 53.44 50.38 3aff n ALA 343 Cb 0.26 -0.44 0.17 0.00 0.00 0.00 0.00 19.45 19.44 3aff n ALA 343 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3aff n SER 344 N -0.73 1.55 -0.13 0.00 7.64 -1.16 -4.97 113.62 115.82 3aff n SER 344 Ca 0.25 -3.48 0.02 0.00 1.01 0.00 0.00 58.87 56.66 3aff n SER 344 Cb 0.85 -0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 63.57 3aff n SER 344 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3aff n GLY 345 N -0.76 -2.05 0.21 0.23 0.00 -1.26 -3.81 105.19 97.75 3aff n GLY 345 Ca 0.16 -1.46 0.07 0.00 0.00 0.00 0.00 46.02 44.79 3aff n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aff h ALA 346 N -0.12 1.11 -0.04 4.61 0.00 -1.97 -2.80 119.26 120.04 3aff h ALA 346 Ca -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3aff h ALA 346 Cb 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3aff h ALA 346 CO 0.00 0.37 0.17 1.79 0.00 0.00 0.00 179.25 181.59 3aff h THR 347 N 0.00 0.11 -1.04 0.00 1.35 -2.00 -2.66 112.91 108.67 3aff h THR 347 Ca -0.00 0.00 0.30 0.00 -0.55 0.00 0.00 66.41 66.15 3aff h THR 347 Cb 0.72 0.84 -0.05 0.00 -1.73 0.00 0.00 68.15 67.93 3aff h THR 347 CO 0.04 0.00 0.74 0.00 -0.25 0.00 0.00 175.52 176.05 3aff h ALA 348 N 1.69 2.91 0.00 6.62 0.00 -1.59 -1.38 119.26 127.52 3aff h ALA 348 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3aff h ALA 348 Cb 0.37 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3aff h ALA 348 CO -0.00 -1.22 -0.01 1.28 0.00 0.00 0.00 179.25 179.30 3aff n LEU 349 N -4.26 0.21 -4.78 0.00 4.77 -1.00 -4.16 117.00 107.78 3aff n LEU 349 Ca 0.22 0.51 -0.37 0.00 -0.03 0.00 0.00 56.01 56.34 3aff n LEU 349 Cb 1.08 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 3aff n LEU 349 CO 0.38 -0.04 0.79 -0.55 -1.33 0.00 0.00 177.39 176.64 3aff s SER 350 N -3.38 6.44 0.54 -1.43 0.15 -0.52 -4.90 113.70 110.60 3aff s SER 350 Ca 0.13 2.20 0.22 0.00 0.70 0.00 0.00 55.95 59.21 3aff s SER 350 Cb 0.17 -2.60 1.44 0.00 -1.71 0.00 0.00 66.02 63.33 3aff s SER 350 CO 0.55 -0.72 2.12 0.78 1.20 0.00 0.00 173.24 177.16 3aff h ASN 351 N 2.28 0.00 0.00 5.45 2.35 -1.90 -2.68 115.58 121.08 3aff h ASN 351 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 3aff h ASN 351 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 3aff h ASN 351 CO 0.61 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.77 3aff n GLU 352 N -4.28 0.87 -3.83 0.81 4.71 -1.26 -4.86 120.64 112.80 3aff n GLU 352 Ca 0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.80 3aff n GLU 352 Cb 0.26 -1.26 -0.13 0.00 -1.01 0.00 0.00 31.44 29.30 3aff n GLU 352 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3aff s ALA 353 N -2.00 2.95 0.34 0.62 0.00 -1.01 -5.02 121.76 117.64 3aff s ALA 353 Ca 0.22 -1.35 0.11 0.00 0.00 0.00 0.00 51.96 50.93 3aff s ALA 353 Cb 0.10 -1.95 0.88 0.00 0.00 0.00 0.00 23.12 22.15 3aff s ALA 353 CO 0.17 -0.74 1.79 -1.35 0.00 0.00 0.00 175.76 175.62 3aff h PRO 354 N 8.16 0.60 -0.74 0.00 0.11 -1.89 -2.95 132.00 135.30 3aff h PRO 354 Ca -0.35 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 3aff h PRO 354 Cb 1.14 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 3aff h PRO 354 CO 0.59 0.40 0.43 0.97 -0.21 0.00 0.00 178.00 180.19 3aff h ILE 355 N 0.62 1.22 0.00 4.15 6.09 -1.89 -0.63 117.51 127.06 3aff h ILE 355 Ca 0.57 -0.50 -0.01 0.00 -1.37 0.00 0.00 64.86 63.55 3aff h ILE 355 Cb 1.08 0.20 -0.00 0.00 0.47 0.00 0.00 36.82 38.57 3aff h ILE 355 CO -0.34 0.23 -0.07 0.06 -3.07 0.00 0.00 178.15 174.96 3aff h GLN 356 N 1.02 0.00 -0.04 2.19 -0.00 -1.68 -1.24 115.11 115.37 3aff h GLN 356 Ca 0.26 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.84 3aff h GLN 356 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.47 3aff h GLN 356 CO -0.05 0.07 -0.26 -0.09 -0.00 0.00 0.00 178.83 178.50 3aff h ARG 357 N 0.00 0.25 -0.63 0.06 2.43 -1.22 -1.43 114.38 113.84 3aff h ARG 357 Ca -0.00 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 58.87 3aff h ARG 357 Cb 0.38 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3aff h ARG 357 CO 0.01 0.88 0.07 0.74 -1.51 0.00 0.00 179.97 180.16 3aff h PHE 358 N -0.32 1.12 0.12 2.20 0.04 -1.21 -0.38 116.94 118.51 3aff h PHE 358 Ca -0.02 -0.16 0.01 0.00 2.80 0.00 0.00 57.97 60.59 3aff h PHE 358 Cb 0.94 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 3aff h PHE 358 CO 0.15 0.96 -0.16 2.35 -0.60 0.00 0.00 178.31 181.01 3aff h TRP 359 N 0.98 -0.40 -0.70 -0.55 7.01 -1.29 -1.09 115.95 119.91 3aff h TRP 359 Ca 0.19 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.14 3aff h TRP 359 Cb 0.46 0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.66 3aff h TRP 359 CO 0.03 -0.24 0.24 0.00 -2.79 0.00 0.00 178.44 175.69 3aff h ARG 360 N -0.32 1.07 -0.19 2.65 3.08 -0.98 -2.48 114.38 117.20 3aff h ARG 360 Ca 0.01 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 3aff h ARG 360 Cb 0.32 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3aff h ARG 360 CO -0.06 0.91 -0.08 -0.44 -1.07 0.00 0.00 179.97 179.22 3aff h ASP 361 N 1.01 0.40 -0.82 7.04 3.32 -1.06 0.02 116.42 126.34 3aff h ASP 361 Ca 0.23 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 3aff h ASP 361 Cb 0.27 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3aff h ASP 361 CO -0.01 0.72 0.36 0.00 -1.72 0.00 0.00 179.24 178.59 3aff h ALA 362 N 0.70 1.09 -0.28 3.45 0.00 -1.19 -0.46 119.26 122.56 3aff h ALA 362 Ca 0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3aff h ALA 362 Cb 0.56 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3aff h ALA 362 CO 0.03 0.67 -0.14 0.45 0.00 0.00 0.00 179.25 180.26 3aff h HIS 363 N 1.19 0.68 -0.56 0.00 3.86 -1.35 -1.06 115.15 117.91 3aff h HIS 363 Ca 0.28 -0.17 0.09 0.00 -1.16 0.00 0.00 60.37 59.41 3aff h HIS 363 Cb 0.17 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.41 3aff h HIS 363 CO 0.02 0.83 0.19 0.00 0.86 0.00 0.00 177.93 179.83 3aff h ALA 364 N 0.75 0.70 -0.60 2.45 0.00 -0.85 -1.06 119.26 120.64 3aff h ALA 364 Ca 0.06 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3aff h ALA 364 Cb 0.65 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 3aff h ALA 364 CO 0.04 -0.22 0.32 0.78 0.00 0.00 0.00 179.25 180.17 3aff h GLY 365 N 0.36 0.87 1.86 0.00 0.00 -0.72 -1.65 103.07 103.79 3aff h GLY 365 Ca 0.28 -0.22 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 3aff h GLY 365 CO -0.30 0.12 -0.55 -0.09 0.00 0.00 0.00 176.54 175.72 3aff h ARG 366 N 0.59 0.14 -0.45 4.80 9.65 -0.85 -1.02 114.38 127.24 3aff h ARG 366 Ca 0.27 -0.09 -0.11 0.00 -1.10 0.00 0.00 59.98 58.95 3aff h ARG 366 Cb 0.19 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 3aff h ARG 366 CO -0.19 0.66 -0.17 -0.39 2.80 0.00 0.00 179.97 182.69 3aff h VAL 367 N 0.11 1.27 -0.39 0.20 -1.51 -0.47 0.25 116.25 115.71 3aff h VAL 367 Ca -0.00 -1.29 0.05 0.00 -1.23 0.00 0.00 66.70 64.23 3aff h VAL 367 Cb 1.01 1.10 -0.05 0.00 -2.13 0.00 0.00 31.29 31.22 3aff h VAL 367 CO 0.08 0.44 0.13 -0.74 -1.23 0.00 0.00 177.57 176.25 3aff h HIS 368 N 0.77 0.22 -0.71 5.19 -0.00 -0.94 -2.09 115.15 117.59 3aff h HIS 368 Ca 0.11 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.49 3aff h HIS 368 Cb 0.70 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 28.04 3aff h HIS 368 CO 0.04 0.08 0.38 0.00 -0.00 0.00 0.00 177.93 178.43 3aff h ALA 369 N 1.26 0.91 0.00 5.26 0.00 -0.91 -2.64 119.26 123.15 3aff h ALA 369 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3aff h ALA 369 Cb 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3aff h ALA 369 CO -0.20 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3aff h ALA 370 N 1.19 1.00 -0.58 0.00 0.00 -0.73 -2.71 119.26 117.44 3aff h ALA 370 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3aff h ALA 370 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3aff h ALA 370 CO -0.04 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.30 3aff n ASN 371 N -2.65 4.09 -4.66 0.00 4.13 -0.81 -4.97 115.26 110.39 3aff n ASN 371 Ca 0.03 -2.33 -0.43 0.00 1.68 0.00 0.00 54.58 53.53 3aff n ASN 371 Cb 0.37 -0.52 -0.02 0.00 -1.54 0.00 0.00 39.78 38.06 3aff n ASN 371 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3aff s ASP 372 N -0.86 6.86 0.64 6.41 2.15 -1.02 -4.91 116.67 125.93 3aff s ASP 372 Ca 0.44 1.80 0.40 0.00 0.43 0.00 0.00 52.55 55.62 3aff s ASP 372 Cb 0.28 -2.54 2.18 0.00 -0.30 0.00 0.00 42.92 42.54 3aff s ASP 372 CO 0.22 -0.82 2.31 1.55 -0.17 0.00 0.00 175.17 178.26 3aff h PRO 373 N 8.60 0.00 0.00 4.34 0.13 -1.93 -2.50 132.00 140.63 3aff h PRO 373 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 3aff h PRO 373 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3aff h PRO 373 CO 0.97 0.01 -0.07 0.93 -0.23 0.00 0.00 178.00 179.61 3aff h GLU 374 N 0.00 0.00 -1.23 0.86 5.08 -1.98 0.91 114.58 118.22 3aff h GLU 374 Ca -0.00 0.00 0.35 0.00 -1.00 0.00 0.00 59.36 58.71 3aff h GLU 374 Cb 0.06 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 3aff h GLU 374 CO 0.00 0.07 0.84 0.00 -1.00 0.00 0.00 179.01 178.93 3aff h ARG 375 N 0.00 0.13 0.04 2.33 3.08 -1.83 -2.19 114.38 115.94 3aff h ARG 375 Ca -0.00 -0.01 -0.34 0.00 0.07 0.00 0.00 59.98 59.70 3aff h ARG 375 Cb 0.18 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 3aff h ARG 375 CO 0.01 0.09 -1.98 0.00 -1.07 0.00 0.00 179.97 177.02 3aff n ALA 376 N -2.65 1.28 -0.28 0.04 0.00 0.27 -4.34 120.51 114.83 3aff n ALA 376 Ca 0.29 -0.82 0.06 0.00 0.00 0.00 0.00 53.44 52.97 3aff n ALA 376 Cb 1.23 -0.62 0.28 0.00 0.00 0.00 0.00 19.45 20.34 3aff n ALA 376 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3aff h TYR 377 N 0.02 0.96 -0.03 0.00 0.05 -0.89 -0.60 116.97 116.49 3aff h TYR 377 Ca -0.40 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.41 3aff h TYR 377 Cb 2.04 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 39.47 3aff h TYR 377 CO 0.03 0.47 0.17 -0.24 -1.05 0.00 0.00 178.16 177.54 3aff h VAL 378 N 0.92 0.07 0.00 -2.88 3.04 -1.72 -1.49 116.25 114.19 3aff h VAL 378 Ca 0.39 0.00 -0.24 0.00 -1.01 0.00 0.00 66.70 65.84 3aff h VAL 378 Cb 0.31 0.83 -0.04 0.00 -2.01 0.00 0.00 31.29 30.39 3aff h VAL 378 CO -0.16 0.00 -1.46 0.40 -1.01 0.00 0.00 177.57 175.34 3aff h ILE 379 N 0.00 0.90 -3.00 3.17 2.04 -1.34 -3.35 117.51 115.93 3aff h ILE 379 Ca 0.01 -2.62 -0.52 0.00 1.00 0.00 0.00 64.86 62.73 3aff h ILE 379 Cb 0.35 2.39 0.06 0.00 -0.74 0.00 0.00 36.82 38.89 3aff h ILE 379 CO -0.00 0.51 0.92 -0.36 0.00 0.00 0.00 178.15 179.22 3aff s PHE 380 N -2.71 2.89 0.00 1.37 0.08 -0.56 -4.85 117.98 114.20 3aff s PHE 380 Ca -0.03 0.62 0.00 0.00 0.12 0.00 0.00 56.93 57.64 3aff s PHE 380 Cb 0.08 -4.05 0.00 0.00 -0.57 0.00 0.00 43.02 38.49 3aff s PHE 380 CO 0.82 -3.75 0.85 0.41 -0.10 0.00 0.00 175.22 173.45 3aff n GLY 381 N 3.11 1.53 1.44 4.36 0.00 -1.26 0.32 105.19 114.69 3aff n GLY 381 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 3aff n GLY 381 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3aff n ASN 382 N -0.36 0.93 -0.98 1.61 4.13 -1.26 -4.92 115.26 114.41 3aff n ASN 382 Ca 0.00 -2.00 -0.12 0.00 1.68 0.00 0.00 54.58 54.14 3aff n ASN 382 Cb 0.27 -0.29 -0.04 0.00 -1.54 0.00 0.00 39.78 38.17 3aff n ASN 382 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3aff n HIS 383 N 0.47 -0.08 -1.63 3.10 -0.00 -1.26 -4.92 115.22 110.89 3aff n HIS 383 Ca 0.06 0.00 -0.52 0.00 -0.00 0.00 0.00 57.72 57.25 3aff n HIS 383 Cb 1.12 -2.27 -0.06 0.00 -0.00 0.00 0.00 29.99 28.78 3aff n HIS 383 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3aff n GLU 384 N -2.58 1.32 -2.04 1.57 4.71 -1.26 -1.74 120.64 120.61 3aff n GLU 384 Ca -0.12 0.48 -0.21 0.00 -0.01 0.00 0.00 57.16 57.30 3aff n GLU 384 Cb 0.42 -2.15 -0.05 0.00 -1.01 0.00 0.00 31.44 28.65 3aff n GLU 384 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3aff n PHE 385 N 3.52 -0.54 -0.89 -0.32 3.72 -1.26 -1.15 117.46 120.54 3aff n PHE 385 Ca 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 3aff n PHE 385 Cb 0.19 -3.75 0.00 0.00 -0.94 0.00 0.00 39.48 34.98 3aff n PHE 385 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3aff n GLY 386 N -0.75 0.87 3.77 1.37 0.00 -0.71 -4.49 105.19 105.24 3aff n GLY 386 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 3aff n GLY 386 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3aff s LEU 387 N 0.00 3.56 0.94 0.99 1.43 -0.30 -2.51 118.68 122.79 3aff s LEU 387 Ca 0.00 2.14 -0.14 0.00 -1.03 0.00 0.00 54.13 55.10 3aff s LEU 387 Cb 0.00 -4.57 0.16 0.00 0.03 0.00 0.00 46.19 41.81 3aff s LEU 387 CO 0.00 -1.50 1.18 -2.16 0.23 0.00 0.00 176.35 174.09 3aff s PRO 388 N -3.67 0.88 0.29 1.29 0.04 -1.26 -4.04 135.00 128.53 3aff s PRO 388 Ca 0.71 0.08 -0.30 0.00 0.04 0.00 0.00 61.00 61.53 3aff s PRO 388 Cb -0.23 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.36 3aff s PRO 388 CO 0.35 -2.34 1.54 -2.30 0.04 0.00 0.00 177.00 174.29 3aff n PRO 389 N -3.82 2.55 -0.33 0.56 -0.02 -1.26 -4.73 135.00 127.94 3aff n PRO 389 Ca 0.09 0.90 0.12 0.00 -2.02 0.00 0.00 63.50 62.60 3aff n PRO 389 Cb 0.60 -2.65 0.33 0.00 -0.02 0.00 0.00 33.50 31.76 3aff n PRO 389 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3aff h GLY 390 N 4.39 1.58 2.00 -1.23 0.00 -0.30 -1.27 103.07 108.24 3aff h GLY 390 Ca -0.47 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.48 3aff h GLY 390 CO 0.76 0.02 -0.17 1.29 0.00 0.00 0.00 176.54 178.45 3aff h ASP 391 N 0.77 0.00 0.19 0.19 3.04 -1.79 0.82 116.42 119.64 3aff h ASP 391 Ca 0.53 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 54.31 3aff h ASP 391 Cb 0.81 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.10 3aff h ASP 391 CO -0.31 0.17 -0.05 0.71 -2.04 0.00 0.00 179.24 177.72 3aff h THR 392 N 0.00 0.44 -0.00 1.15 1.35 -1.59 -3.12 112.91 111.14 3aff h THR 392 Ca -0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3aff h THR 392 Cb 0.34 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3aff h THR 392 CO 0.02 0.05 -0.17 0.23 -0.25 0.00 0.00 175.52 175.40 3aff n MET 393 N -3.62 0.47 0.00 4.72 2.81 0.28 -4.77 117.12 117.01 3aff n MET 393 Ca -0.02 -0.18 0.09 0.00 -1.81 0.00 0.00 57.70 55.78 3aff n MET 393 Cb 0.15 -1.50 0.56 0.00 -0.71 0.00 0.00 33.22 31.73 3aff n MET 393 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76