#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aff n ASP 8 N 0.00 1.45 -0.22 6.15 5.68 -1.26 -5.04 116.55 123.31 3aff n ASP 8 Ca 0.00 -2.80 -0.05 0.00 -0.50 0.00 0.00 54.79 51.45 3aff n ASP 8 Cb 0.00 0.78 0.06 0.00 -1.14 0.00 0.00 41.12 40.82 3aff n ASP 8 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3aff h ALA 9 N 1.51 0.83 -0.90 2.12 0.00 -1.97 -2.58 119.26 118.28 3aff h ALA 9 Ca -0.27 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3aff h ALA 9 Cb 1.01 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3aff h ALA 9 CO 0.44 0.18 0.58 1.96 0.00 0.00 0.00 179.25 182.41 3aff h GLN 10 N 0.81 1.10 0.00 0.00 7.50 -2.00 -1.03 115.11 121.49 3aff h GLN 10 Ca 0.25 -0.07 -0.13 0.00 0.50 0.00 0.00 58.65 59.21 3aff h GLN 10 Cb -0.02 -0.25 -0.02 0.00 0.05 0.00 0.00 27.48 27.25 3aff h GLN 10 CO -0.09 0.73 -0.60 0.66 -1.50 0.00 0.00 178.83 178.02 3aff h SER 11 N 1.13 0.00 0.09 1.46 4.64 -1.91 -1.56 113.55 117.40 3aff h SER 11 Ca 0.36 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3aff h SER 11 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3aff h SER 11 CO -0.12 0.60 -0.04 0.58 -0.87 0.00 0.00 176.83 176.99 3aff h VAL 12 N 0.00 0.99 -0.35 0.95 2.07 -1.07 -1.29 116.25 117.55 3aff h VAL 12 Ca -0.01 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.32 3aff h VAL 12 Cb 1.10 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 3aff h VAL 12 CO 0.08 0.06 -0.02 0.25 0.02 0.00 0.00 177.57 177.97 3aff h LEU 13 N -0.23 -0.17 -0.70 2.57 5.85 -0.93 -0.04 115.31 121.66 3aff h LEU 13 Ca -0.01 0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.94 3aff h LEU 13 Cb 0.19 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.27 3aff h LEU 13 CO 0.02 -0.05 0.15 0.00 -0.34 0.00 0.00 178.44 178.22 3aff h ALA 14 N 1.31 0.87 -0.09 1.25 0.00 -1.25 -1.91 119.26 119.44 3aff h ALA 14 Ca 0.17 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 3aff h ALA 14 Cb 0.24 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3aff h ALA 14 CO -0.30 -0.34 -0.47 0.00 0.00 0.00 0.00 179.25 178.14 3aff h ALA 15 N 1.58 1.04 -0.68 0.00 0.00 -0.15 -2.83 119.26 118.22 3aff h ALA 15 Ca 0.39 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3aff h ALA 15 Cb 0.64 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3aff h ALA 15 CO -0.49 0.63 0.37 0.82 0.00 0.00 0.00 179.25 180.58 3aff h ILE 16 N 0.17 1.21 -0.68 0.00 2.04 -0.51 -2.67 117.51 117.08 3aff h ILE 16 Ca 0.01 -0.54 0.13 0.00 1.00 0.00 0.00 64.86 65.46 3aff h ILE 16 Cb 0.90 0.33 -0.09 0.00 -0.74 0.00 0.00 36.82 37.22 3aff h ILE 16 CO 0.07 0.23 0.21 0.44 0.00 0.00 0.00 178.15 179.11 3aff h ASP 17 N 0.93 0.13 0.20 1.72 5.19 -1.12 0.31 116.42 123.77 3aff h ASP 17 Ca 0.24 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.75 3aff h ASP 17 Cb 0.04 0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 3aff h ASP 17 CO -0.04 0.05 -0.06 0.78 -3.12 0.00 0.00 179.24 176.85 3aff h ASN 18 N 0.35 0.00 1.66 6.45 -0.26 -1.35 -2.34 115.58 120.09 3aff h ASN 18 Ca 0.37 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 56.08 3aff h ASN 18 Cb 0.56 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.81 3aff h ASN 18 CO -0.41 0.06 -0.12 -0.07 -1.06 0.00 0.00 177.43 175.83 3aff h LEU 19 N 0.00 0.00 -0.45 1.61 3.38 -0.67 -3.40 115.31 115.79 3aff h LEU 19 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3aff h LEU 19 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3aff h LEU 19 CO 0.01 0.12 0.25 -0.07 0.09 0.00 0.00 178.44 178.83 3aff h LEU 20 N 0.00 0.55 -0.67 1.67 3.38 -0.99 -2.26 115.31 117.00 3aff h LEU 20 Ca -0.00 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 57.99 3aff h LEU 20 Cb 0.98 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 3aff h LEU 20 CO 0.02 0.48 0.26 -0.65 0.09 0.00 0.00 178.44 178.64 3aff h PRO 21 N 0.59 0.43 -0.71 1.13 0.11 -1.78 0.11 132.00 131.87 3aff h PRO 21 Ca 0.16 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 3aff h PRO 21 Cb 0.04 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 3aff h PRO 21 CO -0.03 0.28 0.22 0.93 -0.21 0.00 0.00 178.00 179.19 3aff h GLU 22 N 0.44 1.11 -0.31 1.05 5.08 -1.76 -2.43 114.58 117.76 3aff h GLU 22 Ca 0.35 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 3aff h GLU 22 Cb 0.46 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3aff h GLU 22 CO -0.34 0.96 -0.04 0.82 -1.00 0.00 0.00 179.01 179.41 3aff h ILE 23 N 1.05 1.27 -0.84 3.13 2.04 -0.91 -2.79 117.51 120.47 3aff h ILE 23 Ca 0.23 -1.03 0.09 0.00 1.00 0.00 0.00 64.86 65.15 3aff h ILE 23 Cb 0.31 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 3aff h ILE 23 CO -0.01 0.33 0.49 -0.09 0.00 0.00 0.00 178.15 178.88 3aff h ARG 24 N 0.35 0.80 -0.55 2.37 2.43 -0.67 -2.67 114.38 116.44 3aff h ARG 24 Ca 0.08 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 3aff h ARG 24 Cb 0.50 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3aff h ARG 24 CO 0.02 0.53 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.50 3aff h ASP 25 N 0.83 1.01 0.69 -3.80 3.45 -1.35 -2.56 116.42 114.68 3aff h ASP 25 Ca 0.40 -0.32 0.00 0.00 0.43 0.00 0.00 57.03 57.54 3aff h ASP 25 Cb 0.34 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 3aff h ASP 25 CO -0.24 1.11 0.00 -1.14 -1.57 0.00 0.00 179.24 177.40 3aff n ARG 26 N -4.15 0.07 -0.30 3.56 0.63 -1.03 -4.42 116.66 111.02 3aff n ARG 26 Ca 0.02 0.27 0.13 0.00 -0.92 0.00 0.00 57.85 57.35 3aff n ARG 26 Cb 0.38 -1.63 0.30 0.00 0.45 0.00 0.00 32.46 31.96 3aff n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3aff h ALA 27 N 2.49 1.36 -0.09 5.13 0.00 -1.22 0.13 119.26 127.06 3aff h ALA 27 Ca 0.00 0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 3aff h ALA 27 Cb 0.35 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.37 3aff h ALA 27 CO 0.00 -0.41 -0.83 0.37 0.00 0.00 0.00 179.25 178.38 3aff h GLN 28 N 0.30 0.62 -0.86 0.00 5.75 -1.84 -2.64 115.11 116.44 3aff h GLN 28 Ca 0.55 -0.55 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 3aff h GLN 28 Cb 1.09 0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.72 3aff h GLN 28 CO -0.59 1.17 0.57 0.00 -2.65 0.00 0.00 178.83 177.33 3aff h ALA 29 N 0.67 1.41 0.56 3.38 0.00 -1.22 -0.84 119.26 123.21 3aff h ALA 29 Ca -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3aff h ALA 29 Cb 1.45 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.91 3aff h ALA 29 CO 0.16 0.54 -0.27 1.15 0.00 0.00 0.00 179.25 180.83 3aff h THR 30 N 1.14 0.41 -0.82 0.00 2.02 -0.79 -0.64 112.91 114.23 3aff h THR 30 Ca 0.32 -0.20 0.20 0.00 0.77 0.00 0.00 66.41 67.50 3aff h THR 30 Cb -0.09 0.49 -0.13 0.00 -1.74 0.00 0.00 68.15 66.68 3aff h THR 30 CO -0.08 0.03 0.22 -0.33 0.37 0.00 0.00 175.52 175.73 3aff h GLU 31 N -0.88 0.25 -0.53 6.66 5.08 -1.31 -1.58 114.58 122.27 3aff h GLU 31 Ca -0.08 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3aff h GLU 31 Cb 0.62 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3aff h GLU 31 CO 0.13 0.17 0.04 -0.44 -1.00 0.00 0.00 179.01 177.90 3aff h ASP 32 N 0.26 0.84 -0.10 1.42 3.32 -0.87 -2.63 116.42 118.66 3aff h ASP 32 Ca 0.49 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 3aff h ASP 32 Cb 0.91 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3aff h ASP 32 CO -0.58 0.88 -0.23 0.25 -1.72 0.00 0.00 179.24 177.83 3aff h LEU 33 N 0.82 0.53 0.50 1.55 6.46 -0.58 -3.47 115.31 121.11 3aff h LEU 33 Ca 0.16 -0.17 -0.12 0.00 -0.12 0.00 0.00 57.88 57.63 3aff h LEU 33 Cb 0.43 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 3aff h LEU 33 CO 0.02 0.76 -0.13 0.54 -0.62 0.00 0.00 178.44 179.01 3aff n ARG 34 N -4.13 -0.44 -3.60 1.25 1.74 -0.64 -4.97 116.66 105.87 3aff n ARG 34 Ca -0.00 0.56 -0.04 0.00 -0.77 0.00 0.00 57.85 57.59 3aff n ARG 34 Cb 0.40 -4.34 -0.02 0.00 -1.02 0.00 0.00 32.46 27.47 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 -3.17 0.29 0.25 5.56 1.70 -1.09 -2.12 118.95 120.37 3aff s ARG 35 Ca 0.00 -0.09 -0.30 0.00 -0.47 0.00 0.00 55.73 54.87 3aff s ARG 35 Cb 0.00 0.13 -0.10 0.00 -0.57 0.00 0.00 34.95 34.42 3aff s ARG 35 CO 0.00 -0.12 1.38 -0.51 -1.08 0.00 0.00 175.30 174.96 3aff s LEU 36 N -2.03 4.40 0.37 -1.89 1.02 -0.90 -4.82 118.68 114.84 3aff s LEU 36 Ca 0.09 2.59 -0.28 0.00 0.02 0.00 0.00 54.13 56.55 3aff s LEU 36 Cb -0.01 -3.62 -0.11 0.00 0.02 0.00 0.00 46.19 42.47 3aff s LEU 36 CO -0.05 -0.62 1.45 -2.84 0.02 0.00 0.00 176.35 174.32 3aff s PRO 37 N -0.57 4.16 0.35 1.29 0.02 -1.26 -4.88 135.00 134.10 3aff s PRO 37 Ca 0.56 2.50 0.13 0.00 0.02 0.00 0.00 61.00 64.22 3aff s PRO 37 Cb -0.40 -2.99 0.97 0.00 0.02 0.00 0.00 34.50 32.11 3aff s PRO 37 CO 0.44 -0.47 1.74 -0.44 -0.33 0.00 0.00 177.00 177.93 3aff h ASP 38 N 3.07 0.59 -0.98 2.53 3.32 -2.00 -1.12 116.42 121.83 3aff h ASP 38 Ca -0.50 0.12 0.06 0.00 0.02 0.00 0.00 57.03 56.73 3aff h ASP 38 Cb 1.24 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.76 3aff h ASP 38 CO 0.64 0.08 0.63 -0.08 -1.72 0.00 0.00 179.24 178.80 3aff h GLU 39 N 0.50 1.12 0.09 3.56 4.81 -1.99 0.89 114.58 123.56 3aff h GLU 39 Ca 0.64 -0.07 -0.27 0.00 -0.13 0.00 0.00 59.36 59.54 3aff h GLU 39 Cb 1.36 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 30.50 3aff h GLU 39 CO -0.43 0.74 -1.14 0.00 -0.73 0.00 0.00 179.01 177.45 3aff h THR 40 N 1.15 1.40 -0.37 0.32 1.03 -1.57 -1.58 112.91 113.29 3aff h THR 40 Ca 0.42 -2.67 -0.01 0.00 -0.01 0.00 0.00 66.41 64.14 3aff h THR 40 Cb 0.15 2.69 -0.02 0.00 -1.07 0.00 0.00 68.15 69.90 3aff h THR 40 CO -0.16 0.79 0.20 0.58 -0.01 0.00 0.00 175.52 176.93 3aff h VAL 41 N 0.18 1.15 -0.36 0.00 2.07 -1.30 -0.37 116.25 117.62 3aff h VAL 41 Ca -0.13 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3aff h VAL 41 Cb 1.82 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 3aff h VAL 41 CO 0.20 0.15 0.20 0.50 0.02 0.00 0.00 177.57 178.64 3aff h LYS 42 N 0.47 0.50 -0.01 1.57 3.64 -0.87 0.81 116.57 122.68 3aff h LYS 42 Ca 0.13 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3aff h LYS 42 Cb 0.06 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 3aff h LYS 42 CO -0.02 0.41 -0.21 0.00 -2.27 0.00 0.00 179.45 177.35 3aff h ALA 43 N 1.06 -0.27 -0.76 5.00 0.00 -1.00 0.23 119.26 123.54 3aff h ALA 43 Ca 0.13 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3aff h ALA 43 Cb 0.05 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3aff h ALA 43 CO -0.02 -0.71 0.47 -0.07 0.00 0.00 0.00 179.25 178.92 3aff h LEU 44 N -0.33 0.75 0.03 0.00 3.38 -0.93 -1.47 115.31 116.74 3aff h LEU 44 Ca 0.06 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3aff h LEU 44 Cb 0.42 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3aff h LEU 44 CO -0.21 0.51 -0.02 -0.78 0.09 0.00 0.00 178.44 178.03 3aff h ASP 45 N 0.89 -0.04 -0.76 -0.43 3.58 -0.29 -0.45 116.42 118.91 3aff h ASP 45 Ca 0.31 -0.07 0.12 0.00 0.42 0.00 0.00 57.03 57.82 3aff h ASP 45 Cb 0.08 0.01 -0.08 0.00 1.72 0.00 0.00 39.33 41.05 3aff h ASP 45 CO -0.13 0.04 0.36 0.44 -2.88 0.00 0.00 179.24 177.07 3aff h ASP 46 N -0.12 0.42 0.62 2.28 3.32 -0.14 -1.11 116.42 121.69 3aff h ASP 46 Ca -0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3aff h ASP 46 Cb 0.10 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3aff h ASP 46 CO 0.01 0.21 0.00 1.33 -1.72 0.00 0.00 179.24 179.06 3aff n VAL 47 N -4.91 0.05 -0.19 -1.35 0.24 -0.59 -4.91 118.33 106.68 3aff n VAL 47 Ca 0.14 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 3aff n VAL 47 Cb 0.36 -0.53 0.00 0.00 -1.47 0.00 0.00 33.84 32.19 3aff n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3aff n GLY 48 N 1.22 0.90 0.16 7.63 0.00 -0.42 -4.63 105.19 110.05 3aff n GLY 48 Ca 0.13 -0.10 -0.06 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 0.26 0.00 1.61 3.57 -1.26 -2.22 116.94 118.89 3aff h PHE 49 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3aff h PHE 49 Cb 0.00 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.68 3aff h PHE 49 CO 0.00 0.11 0.00 0.74 -2.23 0.00 0.00 178.31 176.93 3aff h PHE 50 N 0.30 0.00 0.00 0.41 0.04 -1.86 -2.51 116.94 113.32 3aff h PHE 50 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 3aff h PHE 50 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 3aff h PHE 50 CO -0.13 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 177.83 3aff n THR 51 N -2.95 0.61 -0.11 -1.55 -2.24 -0.84 -4.23 114.28 102.97 3aff n THR 51 Ca -0.00 0.05 -0.05 0.00 -2.27 0.00 0.00 64.05 61.77 3aff n THR 51 Cb 0.23 -0.82 0.02 0.00 -2.10 0.00 0.00 70.33 67.67 3aff n THR 51 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3aff h LEU 52 N 0.00 0.01 -1.91 3.22 3.38 -1.51 0.14 115.31 118.64 3aff h LEU 52 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3aff h LEU 52 Cb 0.46 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3aff h LEU 52 CO 0.00 0.04 0.00 0.18 0.09 0.00 0.00 178.44 178.75 3aff n LEU 53 N -5.09 2.67 -4.77 1.67 4.77 -1.26 -0.01 117.00 114.98 3aff n LEU 53 Ca 0.02 -1.20 -0.39 0.00 -0.03 0.00 0.00 56.01 54.41 3aff n LEU 53 Cb 0.17 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3aff n LEU 53 CO 0.24 0.52 0.85 -1.58 -1.33 0.00 0.00 177.39 176.09 3aff s GLN 54 N -1.38 4.23 0.59 3.23 0.74 -0.87 -3.82 119.66 122.38 3aff s GLN 54 Ca 0.24 1.89 -0.19 0.00 0.05 0.00 0.00 55.36 57.34 3aff s GLN 54 Cb 0.16 -2.84 -0.03 0.00 1.10 0.00 0.00 33.01 31.39 3aff s GLN 54 CO 0.23 -0.18 1.23 -2.14 -0.55 0.00 0.00 175.29 173.87 3aff s PRO 55 N -2.05 2.95 0.38 1.67 0.02 -1.26 -0.69 135.00 136.02 3aff s PRO 55 Ca 0.53 1.89 0.07 0.00 0.02 0.00 0.00 61.00 63.51 3aff s PRO 55 Cb -0.32 -1.95 0.81 0.00 0.02 0.00 0.00 34.50 33.05 3aff s PRO 55 CO 0.41 -1.24 1.99 -0.56 -0.33 0.00 0.00 177.00 177.27 3aff h GLN 56 N 0.92 0.64 0.00 5.54 -0.00 -1.92 0.21 115.11 120.50 3aff h GLN 56 Ca -0.51 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.11 3aff h GLN 56 Cb 1.30 -0.15 0.00 0.00 -0.00 0.00 0.00 27.48 28.64 3aff h GLN 56 CO 0.55 0.43 0.02 -0.56 -0.00 0.00 0.00 178.83 179.26 3aff h GLN 57 N 0.66 0.00 -0.59 0.06 3.07 -1.92 1.00 115.11 117.40 3aff h GLN 57 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.01 3aff h GLN 57 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.77 3aff h GLN 57 CO -0.08 0.00 0.00 0.91 0.09 0.00 0.00 178.83 179.75 3aff n TRP 58 N -2.92 0.78 -1.07 0.06 7.02 -0.71 -4.94 117.44 115.67 3aff n TRP 58 Ca -0.03 -0.47 0.00 0.00 -1.02 0.00 0.00 57.50 55.98 3aff n TRP 58 Cb 0.08 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.96 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 1.30 0.41 4.00 6.99 0.00 0.35 -4.82 105.19 113.42 3aff n GLY 59 Ca 0.20 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.95 1.79 0.00 -0.02 0.00 0.65 -4.94 107.32 101.85 3aff s GLY 60 Ca 0.00 -1.72 0.23 0.00 0.00 0.00 0.00 44.72 43.23 3aff s GLY 60 CO 0.00 -1.29 1.16 1.04 0.00 0.00 0.00 173.10 174.01 3aff n LEU 61 N -2.46 2.53 -3.37 0.66 4.77 0.42 -3.71 117.00 115.84 3aff n LEU 61 Ca 0.13 -0.89 -0.15 0.00 -0.03 0.00 0.00 56.01 55.06 3aff n LEU 61 Cb 0.60 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3aff n LEU 61 CO 0.42 0.44 -0.20 0.00 -1.33 0.00 0.00 177.39 176.72 3aff n GLN 62 N 0.72 -0.95 -1.39 3.23 10.64 0.13 -4.79 117.38 124.97 3aff n GLN 62 Ca 0.12 0.01 -0.29 0.00 -1.83 0.00 0.00 57.00 55.01 3aff n GLN 62 Cb 0.53 -1.52 0.15 0.00 -0.86 0.00 0.00 30.24 28.54 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 -3.90 3.57 0.29 0.00 -0.08 -1.26 -4.80 116.55 110.36 3aff n ASP 64 Ca 0.06 0.96 0.16 0.00 -1.51 0.00 0.00 54.79 54.47 3aff n ASP 64 Cb 0.58 -1.39 0.91 0.00 2.34 0.00 0.00 41.12 43.56 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 9.45 0.00 -0.10 -0.67 0.13 -1.94 -1.37 132.00 137.50 3aff h PRO 65 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 3aff h PRO 65 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 3aff h PRO 65 CO 0.95 0.04 -0.31 0.00 -0.23 0.00 0.00 178.00 178.45 3aff h ALA 66 N 1.96 1.29 -0.34 -0.56 0.00 -1.89 -2.01 119.26 117.71 3aff h ALA 66 Ca -0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.41 3aff h ALA 66 Cb 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3aff h ALA 66 CO 0.01 0.49 -0.45 -0.07 0.00 0.00 0.00 179.25 179.23 3aff h LEU 67 N 0.16 0.95 -0.30 0.00 3.38 -1.63 -1.87 115.31 115.99 3aff h LEU 67 Ca 0.02 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.56 3aff h LEU 67 Cb 0.64 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3aff h LEU 67 CO 0.05 1.25 0.12 0.15 0.09 0.00 0.00 178.44 180.10 3aff h PHE 68 N 0.70 0.23 -0.37 1.13 3.57 -1.31 -2.25 116.94 118.63 3aff h PHE 68 Ca 0.04 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3aff h PHE 68 Cb 1.04 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 3aff h PHE 68 CO 0.06 0.11 -0.00 0.74 -2.23 0.00 0.00 178.31 176.99 3aff h PHE 69 N 0.27 0.61 -0.25 0.41 0.04 -1.29 -2.71 116.94 114.02 3aff h PHE 69 Ca 0.13 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.85 3aff h PHE 69 Cb 0.08 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 3aff h PHE 69 CO -0.12 0.59 0.12 1.49 -0.60 0.00 0.00 178.31 179.79 3aff h GLU 70 N 0.55 0.25 -0.71 1.51 4.57 -1.27 -0.35 114.58 119.14 3aff h GLU 70 Ca 0.12 -0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.43 3aff h GLU 70 Cb 0.36 -0.06 -0.13 0.00 -0.16 0.00 0.00 28.75 28.77 3aff h GLU 70 CO 0.01 0.17 -0.05 0.00 -1.18 0.00 0.00 179.01 177.96 3aff h ALA 71 N 1.13 0.65 -0.24 2.92 0.00 -1.24 -1.32 119.26 121.16 3aff h ALA 71 Ca 0.10 0.24 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 3aff h ALA 71 Cb 0.03 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3aff h ALA 71 CO -0.07 -0.42 -0.31 1.79 0.00 0.00 0.00 179.25 180.24 3aff h THR 72 N 0.07 1.28 -0.08 0.00 1.35 -1.08 -2.11 112.91 112.34 3aff h THR 72 Ca 0.37 -1.38 0.01 0.00 -0.55 0.00 0.00 66.41 64.86 3aff h THR 72 Cb 0.62 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 3aff h THR 72 CO -0.65 0.43 0.03 -0.09 -0.25 0.00 0.00 175.52 174.99 3aff h ARG 73 N 0.42 0.07 -0.01 4.72 2.43 -0.60 -0.16 114.38 121.25 3aff h ARG 73 Ca 0.05 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3aff h ARG 73 Cb 0.75 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 3aff h ARG 73 CO 0.06 0.04 -0.11 0.00 -1.51 0.00 0.00 179.97 178.45 3aff h ARG 74 N 0.07 -0.17 -0.61 0.20 3.08 -1.20 -0.90 114.38 114.84 3aff h ARG 74 Ca 0.03 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.18 3aff h ARG 74 Cb 0.02 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.04 3aff h ARG 74 CO -0.03 -0.12 0.26 -0.07 -1.07 0.00 0.00 179.97 178.94 3aff h LEU 75 N -0.18 0.30 -0.76 3.04 3.38 -1.33 -1.99 115.31 117.78 3aff h LEU 75 Ca 0.04 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3aff h LEU 75 Cb 0.24 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3aff h LEU 75 CO -0.12 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.60 3aff h ALA 76 N 1.39 1.00 0.00 1.53 0.00 -0.69 -2.33 119.26 120.17 3aff h ALA 76 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3aff h ALA 76 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3aff h ALA 76 CO -0.27 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.85 3aff n SER 77 N -2.77 0.44 -0.03 0.00 3.41 -0.37 -3.39 113.62 110.91 3aff n SER 77 Ca 0.02 0.59 -0.02 0.00 -0.26 0.00 0.00 58.87 59.21 3aff n SER 77 Cb 0.35 -0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 63.55 3aff n SER 77 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3aff n VAL 78 N -1.96 0.38 -3.16 -3.33 0.24 -1.06 -3.73 118.33 105.72 3aff n VAL 78 Ca 0.04 -0.29 0.04 0.00 -2.04 0.00 0.00 64.34 62.08 3aff n VAL 78 Cb 0.26 -0.50 -0.01 0.00 -1.47 0.00 0.00 33.84 32.12 3aff n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3aff h GLY 80 N 8.01 0.90 1.05 0.00 0.00 -1.81 -1.70 103.07 109.52 3aff h GLY 80 Ca -0.23 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 46.70 3aff h GLY 80 CO 0.26 0.30 0.05 1.76 0.00 0.00 0.00 176.54 178.90 3aff h SER 81 N 0.82 0.98 -0.07 0.19 0.02 -1.93 0.25 113.55 113.81 3aff h SER 81 Ca 0.24 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3aff h SER 81 Cb -0.05 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.23 3aff h SER 81 CO -0.07 1.02 0.01 0.74 -1.14 0.00 0.00 176.83 177.39 3aff h THR 82 N 0.91 1.20 -0.60 -2.27 2.02 -1.83 -1.42 112.91 110.91 3aff h THR 82 Ca 0.17 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 3aff h THR 82 Cb 0.49 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 3aff h THR 82 CO 0.02 0.18 0.35 1.23 0.37 0.00 0.00 175.52 177.67 3aff h GLY 83 N -0.11 0.89 0.65 2.16 0.00 -1.24 0.26 103.07 105.67 3aff h GLY 83 Ca 0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3aff h GLY 83 CO 0.00 0.37 -0.34 -0.25 0.00 0.00 0.00 176.54 176.32 3aff h TRP 84 N 0.82 -0.91 -0.82 5.60 2.91 -0.87 -1.31 115.95 121.37 3aff h TRP 84 Ca 0.22 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.22 3aff h TRP 84 Cb 0.01 0.35 -0.04 0.00 -0.51 0.00 0.00 29.16 28.97 3aff h TRP 84 CO -0.02 -0.48 0.42 0.28 -1.03 0.00 0.00 178.44 177.61 3aff h VAL 85 N -0.71 1.25 -0.13 2.65 2.07 -1.20 -2.61 116.25 117.57 3aff h VAL 85 Ca -0.02 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3aff h VAL 85 Cb 0.64 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3aff h VAL 85 CO -0.06 0.29 0.08 0.28 0.02 0.00 0.00 177.57 178.19 3aff h SER 86 N 1.15 0.15 -0.05 0.57 0.02 -0.88 0.88 113.55 115.40 3aff h SER 86 Ca 0.28 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.24 3aff h SER 86 Cb 0.08 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3aff h SER 86 CO -0.04 0.14 -0.17 -1.28 -1.14 0.00 0.00 176.83 174.34 3aff h SER 87 N 0.16 -0.50 0.17 3.07 0.87 -1.16 0.20 113.55 116.34 3aff h SER 87 Ca 0.05 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3aff h SER 87 Cb 0.01 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3aff h SER 87 CO -0.01 -0.22 -0.08 0.40 -0.53 0.00 0.00 176.83 176.39 3aff h ILE 88 N -0.25 0.96 -0.67 2.23 2.04 -1.22 -1.83 117.51 118.77 3aff h ILE 88 Ca 0.07 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3aff h ILE 88 Cb 0.35 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 3aff h ILE 88 CO -0.20 0.18 0.39 0.58 0.00 0.00 0.00 178.15 179.10 3aff h VAL 89 N -0.63 1.20 -0.54 1.67 2.07 -0.90 -2.88 116.25 116.24 3aff h VAL 89 Ca -0.02 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 3aff h VAL 89 Cb 0.47 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3aff h VAL 89 CO 0.04 0.21 0.10 1.23 0.02 0.00 0.00 177.57 179.18 3aff h GLY 90 N 0.91 0.91 2.00 2.17 0.00 -0.91 -2.79 103.07 105.35 3aff h GLY 90 Ca 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3aff h GLY 90 CO -0.04 0.51 0.00 -0.24 0.00 0.00 0.00 176.54 176.77 3aff h VAL 91 N 0.81 0.00 0.00 4.60 3.04 -1.27 -2.40 116.25 121.03 3aff h VAL 91 Ca 0.17 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 3aff h VAL 91 Cb 0.34 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 3aff h VAL 91 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.57 177.01 3aff h HIS 92 N 0.00 0.00 0.00 3.17 3.86 -1.27 -0.89 115.15 120.03 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 0.55 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 3aff h HIS 92 CO 0.00 0.00 -0.51 -0.91 0.86 0.00 0.00 177.93 177.37 3aff h ASN 93 N 0.00 0.00 -0.12 2.45 2.35 -1.54 -1.23 115.58 117.49 3aff h ASN 93 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3aff h ASN 93 Cb 0.53 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 3aff h ASN 93 CO 0.00 0.51 0.05 -0.25 -1.65 0.00 0.00 177.43 176.09 3aff h TRP 94 N 0.00 0.18 -0.55 1.19 7.01 -1.40 -3.19 115.95 119.18 3aff h TRP 94 Ca -0.01 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.88 3aff h TRP 94 Cb 1.02 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 28.01 3aff h TRP 94 CO 0.00 0.27 -0.04 1.25 -2.79 0.00 0.00 178.44 177.12 3aff h HIS 95 N 0.04 1.11 0.00 2.65 2.76 -0.82 -2.87 115.15 118.02 3aff h HIS 95 Ca 0.04 -0.21 -0.03 0.00 -2.20 0.00 0.00 60.37 57.97 3aff h HIS 95 Cb 0.17 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.84 3aff h HIS 95 CO -0.02 1.01 -0.15 1.25 -1.30 0.00 0.00 177.93 178.73 3aff h LEU 96 N 0.89 0.00 -2.73 0.26 5.85 -1.36 -1.45 115.31 116.77 3aff h LEU 96 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3aff h LEU 96 Cb 0.60 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 3aff h LEU 96 CO 0.04 0.15 0.05 0.00 -0.34 0.00 0.00 178.44 178.34 3aff h ALA 97 N 1.85 1.20 0.00 1.25 0.00 -1.49 -1.47 119.26 120.61 3aff h ALA 97 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3aff h ALA 97 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3aff h ALA 97 CO 0.02 -0.06 -0.79 1.28 0.00 0.00 0.00 179.25 179.70 3aff n LEU 98 N -3.26 0.70 -4.76 0.00 4.77 -0.55 -4.25 117.00 109.65 3aff n LEU 98 Ca -0.03 -0.18 -0.31 0.00 -0.03 0.00 0.00 56.01 55.46 3aff n LEU 98 Cb 0.13 -0.13 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 3aff n LEU 98 CO 0.21 0.15 0.71 -0.36 -1.33 0.00 0.00 177.39 176.77 3aff s PHE 99 N -3.04 2.47 0.40 -1.77 0.08 -0.55 -1.26 117.98 114.31 3aff s PHE 99 Ca 0.08 1.58 -0.24 0.00 0.12 0.00 0.00 56.93 58.47 3aff s PHE 99 Cb 0.16 -3.10 -0.11 0.00 -0.57 0.00 0.00 43.02 39.40 3aff s PHE 99 CO 0.78 -1.90 0.95 -0.25 -0.10 0.00 0.00 175.22 174.70 3aff n ASP 100 N -3.42 0.98 -0.34 1.36 8.00 -1.26 -1.54 116.55 120.33 3aff n ASP 100 Ca 0.10 1.04 0.21 0.00 0.71 0.00 0.00 54.79 56.85 3aff n ASP 100 Cb 0.53 -1.31 0.47 0.00 -0.02 0.00 0.00 41.12 40.78 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 1.49 0.44 -0.65 -1.24 5.75 -1.92 -0.16 115.11 118.83 3aff h GLN 101 Ca -0.43 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.03 3aff h GLN 101 Cb 1.35 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.77 3aff h GLN 101 CO 0.57 0.29 0.37 -0.09 -2.65 0.00 0.00 178.83 177.32 3aff h ARG 102 N 0.45 0.88 -0.22 1.69 2.43 -1.92 0.90 114.38 118.60 3aff h ARG 102 Ca 0.63 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.67 3aff h ARG 102 Cb 1.45 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3aff h ARG 102 CO -0.38 0.63 -0.06 0.00 -1.51 0.00 0.00 179.97 178.65 3aff h ALA 103 N 1.52 0.30 -0.61 2.80 0.00 -1.25 -1.80 119.26 120.23 3aff h ALA 103 Ca 0.23 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3aff h ALA 103 Cb -0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3aff h ALA 103 CO -0.04 0.10 0.36 1.96 0.00 0.00 0.00 179.25 181.63 3aff h GLN 104 N 0.16 0.69 -0.70 0.00 4.20 -1.07 -2.36 115.11 116.03 3aff h GLN 104 Ca 0.05 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.77 3aff h GLN 104 Cb 0.52 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 3aff h GLN 104 CO 0.02 0.46 0.41 1.49 -0.67 0.00 0.00 178.83 180.54 3aff h GLU 105 N 0.71 0.74 -1.01 1.46 4.57 -0.75 -0.10 114.58 120.21 3aff h GLU 105 Ca 0.25 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.41 3aff h GLU 105 Cb 0.05 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.42 3aff h GLU 105 CO -0.12 0.49 0.66 0.93 -1.18 0.00 0.00 179.01 179.80 3aff h GLU 106 N 0.77 1.28 -0.00 1.92 5.08 -0.88 0.57 114.58 123.32 3aff h GLU 106 Ca 0.30 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3aff h GLU 106 Cb 0.13 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3aff h GLU 106 CO -0.16 0.85 -0.03 0.28 -1.00 0.00 0.00 179.01 178.94 3aff h VAL 107 N 1.32 1.57 -0.00 3.13 2.07 -0.96 -3.41 116.25 119.97 3aff h VAL 107 Ca 0.39 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 66.18 3aff h VAL 107 Cb -0.08 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3aff h VAL 107 CO -0.10 0.45 -0.31 0.79 0.02 0.00 0.00 177.57 178.42 3aff n TRP 108 N -4.71 0.00 0.24 1.57 8.01 -0.09 -4.57 117.44 117.90 3aff n TRP 108 Ca -0.09 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.22 3aff n TRP 108 Cb 0.37 0.00 0.75 0.00 -2.01 0.00 0.00 31.31 30.43 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 2.12 0.00 0.00 6.99 0.00 0.03 -3.11 103.07 109.11 3aff h GLY 109 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 3aff h GLY 109 CO 0.00 0.00 -2.35 1.18 0.00 0.00 0.00 176.54 175.37 3aff n GLU 110 N -4.22 0.54 -3.71 4.80 -0.58 -1.26 -4.92 120.64 111.29 3aff n GLU 110 Ca -0.01 0.19 -0.30 0.00 -0.42 0.00 0.00 57.16 56.62 3aff n GLU 110 Cb 0.16 -1.41 -0.15 0.00 -0.57 0.00 0.00 31.44 29.47 3aff n GLU 110 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3aff s ASP 111 N -6.81 3.95 0.00 1.62 -1.08 -1.18 -4.99 116.67 108.18 3aff s ASP 111 Ca -0.33 -1.64 0.16 0.00 -0.52 0.00 0.00 52.55 50.23 3aff s ASP 111 Cb 0.11 -0.81 0.96 0.00 -1.46 0.00 0.00 42.92 41.73 3aff s ASP 111 CO 0.47 -0.41 1.42 -0.81 0.52 0.00 0.00 175.17 176.36 3aff n PRO 112 N 4.84 0.69 0.00 4.34 -0.04 -1.18 -2.48 135.00 141.17 3aff n PRO 112 Ca -0.02 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.57 3aff n PRO 112 Cb 0.42 -1.37 0.37 0.00 -0.04 0.00 0.00 33.50 32.88 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 -0.87 2.00 -4.75 3.54 3.41 -1.26 -4.95 113.62 110.74 3aff n SER 113 Ca 0.12 -1.64 -0.42 0.00 -0.26 0.00 0.00 58.87 56.67 3aff n SER 113 Cb 0.06 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.53 1.42 -4.26 6.66 -1.04 -1.04 -5.02 114.28 111.54 3aff n THR 114 Ca 0.17 -0.35 -0.24 0.00 -2.04 0.00 0.00 64.05 61.59 3aff n THR 114 Cb 0.44 -1.93 -0.07 0.00 -1.82 0.00 0.00 70.33 66.95 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 -1.14 2.38 -0.06 -2.82 0.52 -1.26 -4.99 118.95 111.58 3aff s ARG 115 Ca 0.60 -1.31 0.01 0.00 -0.52 0.00 0.00 55.73 54.51 3aff s ARG 115 Cb -0.50 -2.25 0.02 0.00 0.52 0.00 0.00 34.95 32.74 3aff s ARG 115 CO 0.55 0.39 -0.06 0.42 0.02 0.00 0.00 175.30 176.62 3aff s ILE 116 N -2.16 0.68 0.60 1.52 1.09 -1.26 -1.76 121.20 119.90 3aff s ILE 116 Ca 0.31 -0.18 0.04 0.00 -1.10 0.00 0.00 60.65 59.71 3aff s ILE 116 Cb -0.07 -0.70 0.11 0.00 -1.06 0.00 0.00 42.46 40.74 3aff s ILE 116 CO 0.20 0.27 0.83 -1.54 -0.10 0.00 0.00 174.94 174.60 3aff n SER 117 N 4.21 1.52 -3.90 3.58 3.41 -0.59 -4.72 113.62 117.13 3aff n SER 117 Ca -0.21 -2.19 -0.09 0.00 -0.26 0.00 0.00 58.87 56.12 3aff n SER 117 Cb 0.51 -0.50 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 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 -4.50 0.16 -0.32 4.04 1.04 -1.26 -0.80 113.70 112.06 3aff s SER 118 Ca 0.58 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 56.44 3aff s SER 118 Cb -0.04 0.28 0.15 0.00 0.10 0.00 0.00 66.02 66.51 3aff s SER 118 CO 0.38 -0.60 0.34 -0.55 0.98 0.00 0.00 173.24 173.78 3aff s SER 119 N -2.45 1.32 0.27 7.02 0.15 0.06 -4.32 113.70 115.75 3aff s SER 119 Ca -0.00 -1.04 0.25 0.00 0.70 0.00 0.00 55.95 55.86 3aff s SER 119 Cb 0.02 0.60 0.71 0.00 -1.71 0.00 0.00 66.02 65.64 3aff s SER 119 CO -0.07 -0.33 1.74 1.88 1.20 0.00 0.00 173.24 177.65 3aff h TYR 120 N 7.78 0.00 -3.97 3.44 0.05 -1.91 -1.31 116.97 121.05 3aff h TYR 120 Ca -0.06 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.18 3aff h TYR 120 Cb 1.07 0.00 0.11 0.00 1.01 0.00 0.00 36.73 38.93 3aff h TYR 120 CO 0.29 0.00 0.74 0.00 -1.05 0.00 0.00 178.16 178.14 3aff s ALA 121 N -3.14 3.39 -1.13 3.88 0.00 -1.26 -4.10 121.76 119.41 3aff s ALA 121 Ca 0.09 1.51 -0.21 0.00 0.00 0.00 0.00 51.96 53.35 3aff s ALA 121 Cb 0.10 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.64 3aff s ALA 121 CO 0.61 -1.12 1.72 -1.25 0.00 0.00 0.00 175.76 175.71 3aff s PRO 122 N -2.28 3.36 -0.26 0.00 0.04 -1.26 -4.29 135.00 130.31 3aff s PRO 122 Ca 0.57 -1.30 0.11 0.00 0.04 0.00 0.00 61.00 60.42 3aff s PRO 122 Cb -0.45 -5.35 0.48 0.00 0.04 0.00 0.00 34.50 29.22 3aff s PRO 122 CO 0.59 -2.74 1.40 -1.33 0.04 0.00 0.00 177.00 174.97 3aff n MET 123 N 8.61 1.89 -3.98 4.56 2.81 -1.24 -4.97 117.12 124.79 3aff n MET 123 Ca 0.42 -3.14 0.03 0.00 -1.81 0.00 0.00 57.70 53.20 3aff n MET 123 Cb 0.48 -1.77 0.01 0.00 -0.71 0.00 0.00 33.22 31.23 3aff n MET 123 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3aff s GLY 124 N -2.60 -0.16 0.21 3.03 0.00 -1.26 -1.83 107.32 104.71 3aff s GLY 124 Ca 0.43 0.09 -0.11 0.00 0.00 0.00 0.00 44.72 45.12 3aff s GLY 124 CO -0.00 5.62 0.39 0.00 0.00 0.00 0.00 173.10 179.11 3aff s ALA 125 N -2.03 -0.15 -0.15 3.20 0.00 -0.69 -4.24 121.76 117.70 3aff s ALA 125 Ca 0.29 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.43 3aff s ALA 125 Cb -0.00 0.99 0.01 0.00 0.00 0.00 0.00 23.12 24.11 3aff s ALA 125 CO -0.01 -0.75 -0.20 0.20 0.00 0.00 0.00 175.76 174.99 3aff s GLY 126 N -2.99 1.38 -0.19 0.00 0.00 -0.82 -1.99 107.32 102.72 3aff s GLY 126 Ca 0.20 -1.11 -0.08 0.00 0.00 0.00 0.00 44.72 43.73 3aff s GLY 126 CO 0.04 0.03 0.08 0.14 0.00 0.00 0.00 173.10 173.39 3aff s VAL 127 N 0.89 4.94 0.04 1.40 1.01 0.93 -0.32 120.40 129.28 3aff s VAL 127 Ca -0.05 0.02 -0.34 0.00 0.00 0.00 0.00 61.98 61.61 3aff s VAL 127 Cb -0.15 -3.24 -0.13 0.00 0.00 0.00 0.00 36.38 32.86 3aff s VAL 127 CO -0.03 0.45 1.70 0.52 0.00 0.00 0.00 175.10 177.74 3aff n VAL 128 N 3.57 0.26 -4.55 2.92 0.31 -0.16 -0.44 118.33 120.24 3aff n VAL 128 Ca -0.16 -0.05 -0.27 0.00 -0.01 0.00 0.00 64.34 63.85 3aff n VAL 128 Cb 0.52 -1.64 -0.08 0.00 -0.91 0.00 0.00 33.84 31.73 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 2.33 0.68 0.01 2.52 -7.23 0.12 -4.83 120.40 114.01 3aff s VAL 129 Ca 0.86 -2.00 -0.33 0.00 -1.81 0.00 0.00 61.98 58.70 3aff s VAL 129 Cb -0.71 -2.32 -0.11 0.00 0.56 0.00 0.00 36.38 33.80 3aff s VAL 129 CO 0.45 0.00 1.87 -0.67 -0.31 0.00 0.00 175.10 176.44 3aff n ASP 130 N -1.32 3.72 0.00 4.85 -0.08 -1.26 -2.64 116.55 119.82 3aff n ASP 130 Ca -0.08 0.97 0.00 0.00 -1.51 0.00 0.00 54.79 54.17 3aff n ASP 130 Cb 0.65 -1.45 0.00 0.00 2.34 0.00 0.00 41.12 42.66 3aff n ASP 130 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3aff n GLY 131 N 4.31 0.71 0.00 0.27 0.00 -1.26 -4.81 105.19 104.41 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 -0.32 3.06 -0.02 0.00 -1.08 -3.13 105.19 101.70 3aff n GLY 132 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.70 -0.03 -0.27 1.61 2.02 -0.25 -0.70 117.35 119.04 3aff s TYR 133 Ca 0.00 0.06 -0.10 0.00 -0.37 0.00 0.00 57.07 56.66 3aff s TYR 133 Cb 0.00 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.50 3aff s TYR 133 CO 0.00 -0.18 0.16 -1.17 -1.57 0.00 0.00 175.55 172.78 3aff s LEU 134 N -0.74 3.88 -0.09 -1.29 2.96 0.42 -0.72 118.68 123.11 3aff s LEU 134 Ca -0.08 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3aff s LEU 134 Cb -0.05 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 3aff s LEU 134 CO 0.01 -0.03 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.27 3aff s VAL 135 N 1.63 3.84 -0.06 1.68 1.01 0.34 -0.05 120.40 128.79 3aff s VAL 135 Ca 0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 3aff s VAL 135 Cb -0.15 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.64 3aff s VAL 135 CO 0.08 0.58 0.15 0.20 0.00 0.00 0.00 175.10 176.11 3aff s ASN 136 N -0.57 -0.15 0.00 3.32 0.01 -0.84 -1.79 114.94 114.93 3aff s ASN 136 Ca 0.09 0.29 0.00 0.00 -0.71 0.00 0.00 52.86 52.53 3aff s ASN 136 Cb -0.12 0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.82 3aff s ASN 136 CO 0.02 -0.07 0.00 0.61 -1.51 0.00 0.00 177.10 176.15 3aff n GLY 137 N 3.21 -2.20 2.77 0.66 0.00 -0.65 -1.70 105.19 107.28 3aff n GLY 137 Ca -0.15 -1.21 -0.17 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.90 1.36 -0.18 1.61 0.15 -0.76 -1.54 113.70 113.44 3aff s SER 138 Ca 0.00 -0.33 -0.01 0.00 0.70 0.00 0.00 55.95 56.31 3aff s SER 138 Cb 0.00 0.49 -0.00 0.00 -1.71 0.00 0.00 66.02 64.80 3aff s SER 138 CO 0.00 -0.34 -0.12 0.26 1.20 0.00 0.00 173.24 174.24 3aff s TRP 139 N 2.36 2.85 0.64 3.44 0.51 -0.01 -4.80 118.94 123.92 3aff s TRP 139 Ca 0.08 -1.10 0.04 0.00 -2.12 0.00 0.00 56.10 53.00 3aff s TRP 139 Cb -0.15 -1.98 0.10 0.00 -0.81 0.00 0.00 33.47 30.63 3aff s TRP 139 CO -0.18 -0.56 0.88 0.54 -0.51 0.00 0.00 176.95 177.12 3aff s ASN 140 N 1.14 4.76 -1.30 2.95 2.20 -1.26 0.10 114.94 123.52 3aff s ASN 140 Ca 0.01 -0.54 -0.08 0.00 -0.94 0.00 0.00 52.86 51.31 3aff s ASN 140 Cb -0.14 0.03 0.01 0.00 -2.00 0.00 0.00 41.25 39.14 3aff s ASN 140 CO -0.04 -1.56 1.14 0.79 -2.94 0.00 0.00 177.10 174.49 3aff n TRP 141 N -2.53 -2.77 -3.02 1.54 7.02 -1.16 -4.84 117.44 111.68 3aff n TRP 141 Ca 0.15 0.98 -0.44 0.00 -1.02 0.00 0.00 57.50 57.16 3aff n TRP 141 Cb 0.61 -4.89 -0.02 0.00 -2.42 0.00 0.00 31.31 24.59 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 -3.33 6.80 0.21 -0.99 0.15 -0.62 -4.86 113.70 111.06 3aff s SER 142 Ca 0.55 -2.47 -0.32 0.00 0.70 0.00 0.00 55.95 54.41 3aff s SER 142 Cb -0.24 -2.36 -0.13 0.00 -1.71 0.00 0.00 66.02 61.58 3aff s SER 142 CO 0.70 -0.86 1.60 -1.20 1.20 0.00 0.00 173.24 174.68 3aff n SER 143 N 5.69 3.47 -1.13 5.45 7.64 -1.26 -2.39 113.62 131.10 3aff n SER 143 Ca 0.25 1.10 -0.15 0.00 1.01 0.00 0.00 58.87 61.08 3aff n SER 143 Cb 0.47 -1.51 -0.06 0.00 -1.01 0.00 0.00 64.21 62.10 3aff n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3aff n GLY 144 N 3.17 1.48 0.26 0.23 0.00 -0.08 -4.69 105.19 105.56 3aff n GLY 144 Ca 0.14 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.24 0.42 -0.92 0.00 10.43 -1.26 -2.39 116.55 118.58 3aff n ASP 146 Ca -0.03 0.61 0.08 0.00 2.57 0.00 0.00 54.79 58.02 3aff n ASP 146 Cb 0.16 -0.70 0.24 0.00 1.84 0.00 0.00 41.12 42.66 3aff n ASP 146 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 3aff n HIS 147 N -1.97 0.90 -4.35 1.24 8.25 -0.36 -4.99 115.22 113.94 3aff n HIS 147 Ca 0.02 -0.74 -0.26 0.00 -0.26 0.00 0.00 57.72 56.49 3aff n HIS 147 Cb 0.19 -0.23 -0.12 0.00 1.12 0.00 0.00 29.99 30.94 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 -2.21 2.16 -0.86 -1.41 0.00 -1.01 -4.66 121.76 113.78 3aff s ALA 148 Ca 0.38 -1.43 0.10 0.00 0.00 0.00 0.00 51.96 51.00 3aff s ALA 148 Cb 0.28 -0.30 0.25 0.00 0.00 0.00 0.00 23.12 23.35 3aff s ALA 148 CO 0.12 0.42 1.19 -1.13 0.00 0.00 0.00 175.76 176.36 3aff n SER 149 N 0.77 2.73 -4.01 0.00 3.41 -0.73 -4.93 113.62 110.87 3aff n SER 149 Ca -0.17 -1.95 -0.09 0.00 -0.26 0.00 0.00 58.87 56.40 3aff n SER 149 Cb 0.54 -0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 64.22 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 -0.98 0.52 0.02 7.33 0.52 -1.22 -0.71 118.94 124.41 3aff s TRP 150 Ca 0.20 -0.90 -0.08 0.00 0.02 0.00 0.00 56.10 55.34 3aff s TRP 150 Cb 0.10 -0.20 0.00 0.00 -1.15 0.00 0.00 33.47 32.22 3aff s TRP 150 CO 0.14 -0.62 0.16 -0.08 0.02 0.00 0.00 176.95 176.56 3aff s THR 151 N -3.98 0.10 0.06 2.01 -1.32 -0.06 -1.54 115.64 110.92 3aff s THR 151 Ca 0.17 -0.82 -0.13 0.00 -1.21 0.00 0.00 61.69 59.71 3aff s THR 151 Cb 0.05 -0.67 -0.06 0.00 -1.51 0.00 0.00 72.50 70.31 3aff s THR 151 CO -0.01 -0.45 0.43 -0.36 -2.21 0.00 0.00 174.62 172.02 3aff s PHE 152 N -1.96 3.65 -0.01 9.09 0.08 0.02 -0.74 117.98 128.10 3aff s PHE 152 Ca -0.10 0.92 0.02 0.00 0.12 0.00 0.00 56.93 57.89 3aff s PHE 152 Cb -0.04 -2.25 -0.00 0.00 -0.57 0.00 0.00 43.02 40.15 3aff s PHE 152 CO -0.01 0.55 -0.07 0.14 -0.10 0.00 0.00 175.22 175.73 3aff s VAL 153 N -1.28 0.59 0.10 -0.44 -7.23 -0.30 -0.76 120.40 111.07 3aff s VAL 153 Ca 0.30 -0.31 0.01 0.00 -1.81 0.00 0.00 61.98 60.17 3aff s VAL 153 Cb -0.15 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.24 3aff s VAL 153 CO 0.16 0.17 0.24 -0.83 -0.31 0.00 0.00 175.10 174.54 3aff s GLY 154 N -0.10 2.02 0.00 2.32 0.00 -0.49 -0.96 107.32 110.11 3aff s GLY 154 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.84 3aff s GLY 154 CO -0.00 -0.88 0.00 0.61 0.00 0.00 0.00 173.10 172.83 3aff n GLY 155 N -0.01 0.41 3.86 0.20 0.00 -0.95 -3.68 105.19 105.02 3aff n GLY 155 Ca -0.06 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 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 3.70 -0.12 1.61 0.04 -1.26 -1.74 135.00 135.23 3aff s PRO 156 Ca 0.00 0.81 -0.19 0.00 0.04 0.00 0.00 61.00 61.66 3aff s PRO 156 Cb 0.00 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3aff s PRO 156 CO 0.00 -0.48 0.52 0.08 0.04 0.00 0.00 177.00 177.16 3aff s VAL 157 N -3.01 5.15 -0.22 -0.36 1.01 0.31 -1.94 120.40 121.34 3aff s VAL 157 Ca 0.56 1.03 -0.06 0.00 0.00 0.00 0.00 61.98 63.51 3aff s VAL 157 Cb -0.11 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3aff s VAL 157 CO 0.47 0.29 0.03 -0.63 0.00 0.00 0.00 175.10 175.26 3aff s ILE 158 N 0.83 4.12 -0.03 2.22 -1.09 0.56 -1.45 121.20 126.36 3aff s ILE 158 Ca 0.27 -0.25 0.01 0.00 -2.23 0.00 0.00 60.65 58.46 3aff s ILE 158 Cb -0.16 -2.89 0.01 0.00 -1.58 0.00 0.00 42.46 37.84 3aff s ILE 158 CO 0.11 0.39 -0.05 -0.75 -1.23 0.00 0.00 174.94 173.41 3aff s LYS 159 N 1.29 0.66 -1.40 2.79 2.20 0.16 -0.99 119.74 124.46 3aff s LYS 159 Ca 0.04 -0.14 -0.07 0.00 -0.36 0.00 0.00 55.97 55.44 3aff s LYS 159 Cb -0.15 -0.67 0.04 0.00 -1.51 0.00 0.00 37.83 35.54 3aff s LYS 159 CO 0.02 0.00 0.53 -0.25 -0.36 0.00 0.00 175.35 175.30 3aff n ASP 160 N 3.60 -4.84 0.00 1.43 8.00 -1.26 -2.68 116.55 120.79 3aff n ASP 160 Ca -0.21 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 54.97 3aff n ASP 160 Cb 0.53 -3.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.68 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 -1.33 0.57 3.32 0.44 0.00 -1.26 -5.04 105.19 101.89 3aff n GLY 161 Ca -0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.57 1.05 0.25 1.61 1.70 -1.09 -5.14 118.95 116.75 3aff s ARG 162 Ca 0.00 -0.62 -0.31 0.00 -0.47 0.00 0.00 55.73 54.33 3aff s ARG 162 Cb 0.00 0.46 -0.11 0.00 -0.57 0.00 0.00 34.95 34.73 3aff s ARG 162 CO 0.00 -0.40 1.60 -2.14 -1.08 0.00 0.00 175.30 173.27 3aff s PRO 163 N -3.52 4.16 0.00 3.89 0.02 -1.26 -0.66 135.00 137.62 3aff s PRO 163 Ca 0.01 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.55 3aff s PRO 163 Cb 0.01 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.47 3aff s PRO 163 CO -0.10 -0.62 0.08 1.33 -0.33 0.00 0.00 177.00 177.35 3aff n VAL 164 N 2.82 0.00 -3.82 3.83 0.24 -0.53 -4.53 118.33 116.35 3aff n VAL 164 Ca 0.10 -0.26 -0.05 0.00 -2.04 0.00 0.00 64.34 62.09 3aff n VAL 164 Cb 0.37 1.14 -0.00 0.00 -1.47 0.00 0.00 33.84 33.88 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 -0.37 -0.14 -0.21 -1.34 -1.08 -1.23 -4.78 116.67 107.53 3aff s ASP 165 Ca 0.00 -0.65 -0.14 0.00 -0.52 0.00 0.00 52.55 51.23 3aff s ASP 165 Cb 0.00 0.63 0.06 0.00 -1.46 0.00 0.00 42.92 42.15 3aff s ASP 165 CO 0.00 -1.20 0.53 0.12 0.52 0.00 0.00 175.17 175.14 3aff s PHE 166 N -3.11 -0.72 0.00 -5.34 5.36 -1.16 -0.53 117.98 112.49 3aff s PHE 166 Ca 0.14 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.67 3aff s PHE 166 Cb -0.04 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 42.98 3aff s PHE 166 CO 0.06 -0.37 0.00 0.41 -1.46 0.00 0.00 175.22 173.86 3aff n GLY 167 N 3.73 1.10 3.25 13.12 0.00 -0.71 -1.40 105.19 124.27 3aff n GLY 167 Ca -0.19 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 2.00 2.89 -0.19 1.61 0.01 -0.39 -2.23 113.70 117.40 3aff s SER 168 Ca 0.00 -0.48 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 3aff s SER 168 Cb 0.00 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 3aff s SER 168 CO 0.00 0.24 0.09 -0.36 0.41 0.00 0.00 173.24 173.61 3aff s PHE 169 N -0.18 3.28 -0.23 2.43 0.08 -0.13 -0.82 117.98 122.40 3aff s PHE 169 Ca -0.02 0.12 -0.14 0.00 0.12 0.00 0.00 56.93 57.01 3aff s PHE 169 Cb -0.13 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 3aff s PHE 169 CO 0.03 0.15 0.30 -1.17 -0.10 0.00 0.00 175.22 174.43 3aff s LEU 170 N 0.49 4.11 -0.01 -0.37 2.96 0.08 -1.15 118.68 124.79 3aff s LEU 170 Ca 0.05 0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 3aff s LEU 170 Cb -0.12 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.24 3aff s LEU 170 CO 0.00 -0.05 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.35 3aff s ILE 171 N 1.42 0.08 0.54 6.68 1.01 0.08 -4.91 121.20 126.09 3aff s ILE 171 Ca 0.14 0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.65 3aff s ILE 171 Cb -0.15 -0.12 -0.06 0.00 0.01 0.00 0.00 42.46 42.14 3aff s ILE 171 CO 0.07 0.06 1.01 -2.16 0.00 0.00 0.00 174.94 173.93 3aff s PRO 172 N 0.38 3.71 0.43 2.79 0.04 -1.26 -0.88 135.00 140.22 3aff s PRO 172 Ca -0.03 1.05 0.18 0.00 0.04 0.00 0.00 61.00 62.23 3aff s PRO 172 Cb -0.05 -2.10 1.10 0.00 0.04 0.00 0.00 34.50 33.49 3aff s PRO 172 CO -0.01 -0.47 1.90 -0.09 0.04 0.00 0.00 177.00 178.37 3aff h ARG 173 N 0.74 0.36 0.00 4.56 9.65 -1.26 0.03 114.38 128.47 3aff h ARG 173 Ca -0.47 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.39 3aff h ARG 173 Cb 1.20 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.70 3aff h ARG 173 CO 0.60 0.24 -0.01 0.66 2.80 0.00 0.00 179.97 184.26 3aff h SER 174 N 0.37 0.00 -0.02 -3.80 4.64 -1.94 -3.04 113.55 109.76 3aff h SER 174 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3aff h SER 174 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3aff h SER 174 CO -0.13 0.01 -0.09 -0.62 -0.87 0.00 0.00 176.83 175.13 3aff n GLU 175 N -3.22 2.08 -4.35 4.77 1.02 -0.00 -4.98 120.64 115.97 3aff n GLU 175 Ca -0.02 -1.71 -0.18 0.00 -0.02 0.00 0.00 57.16 55.23 3aff n GLU 175 Cb 0.11 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 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 -2.10 1.61 -0.07 -0.32 -0.85 -1.15 -4.59 117.35 109.89 3aff s TYR 176 Ca 0.26 -1.19 0.05 0.00 -0.52 0.00 0.00 57.07 55.68 3aff s TYR 176 Cb 0.20 -0.95 -0.01 0.00 0.38 0.00 0.00 41.96 41.57 3aff s TYR 176 CO 0.36 -0.32 -0.23 -2.00 -1.52 0.00 0.00 175.55 171.83 3aff s GLU 177 N -3.97 2.64 -0.37 -3.49 2.12 -0.97 -4.93 118.70 109.73 3aff s GLU 177 Ca 0.37 -0.87 -0.19 0.00 0.36 0.00 0.00 54.97 54.64 3aff s GLU 177 Cb 0.07 -2.22 0.00 0.00 0.26 0.00 0.00 34.13 32.25 3aff s GLU 177 CO 0.15 0.37 0.54 0.42 -0.54 0.00 0.00 175.26 176.20 3aff s ILE 178 N -0.13 4.98 -0.20 -3.70 1.01 -1.26 -0.98 121.20 120.91 3aff s ILE 178 Ca -0.04 0.25 -0.21 0.00 0.00 0.00 0.00 60.65 60.64 3aff s ILE 178 Cb -0.14 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 3aff s ILE 178 CO 0.04 -0.32 0.65 -0.75 0.00 0.00 0.00 174.94 174.56 3aff s LYS 179 N 2.48 4.21 -0.67 2.79 2.20 0.41 -4.94 119.74 126.21 3aff s LYS 179 Ca 0.19 0.65 -0.27 0.00 -0.36 0.00 0.00 55.97 56.19 3aff s LYS 179 Cb -0.15 -3.58 0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3aff s LYS 179 CO 0.15 -0.26 1.20 0.34 -0.36 0.00 0.00 175.35 176.42 3aff s ASP 180 N 1.21 6.26 0.00 1.43 2.15 -1.26 -2.03 116.67 124.44 3aff s ASP 180 Ca 0.29 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 52.96 3aff s ASP 180 Cb -0.16 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 3aff s ASP 180 CO 0.10 -1.66 0.71 1.33 -0.17 0.00 0.00 175.17 175.49 3aff n VAL 181 N 6.42 0.49 -2.68 1.11 0.24 -1.26 -5.00 118.33 117.65 3aff n VAL 181 Ca 0.04 -0.56 -0.43 0.00 -2.04 0.00 0.00 64.34 61.35 3aff n VAL 181 Cb 0.49 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 33.69 3aff n VAL 181 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 3aff n TRP 182 N -0.25 4.44 -3.84 6.34 -0.00 -1.26 -4.87 117.44 118.00 3aff n TRP 182 Ca 0.00 -3.13 -0.30 0.00 -0.00 0.00 0.00 57.50 54.07 3aff n TRP 182 Cb 0.30 -2.26 -0.15 0.00 -0.00 0.00 0.00 31.31 29.20 3aff n TRP 182 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 3aff s TYR 183 N 1.97 2.53 0.09 5.87 2.02 -1.26 -4.97 117.35 123.60 3aff s TYR 183 Ca 0.45 -2.40 -0.03 0.00 -0.37 0.00 0.00 57.07 54.72 3aff s TYR 183 Cb 0.02 -2.23 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 3aff s TYR 183 CO 0.01 -0.87 0.05 0.14 -1.57 0.00 0.00 175.55 173.32 3aff s VAL 184 N 0.98 0.16 0.25 0.71 -7.23 -1.26 -5.08 120.40 108.92 3aff s VAL 184 Ca 0.12 -1.74 0.11 0.00 -1.81 0.00 0.00 61.98 58.66 3aff s VAL 184 Cb -0.20 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 3aff s VAL 184 CO -0.13 -0.71 1.59 1.62 -0.31 0.00 0.00 175.10 177.16 3aff h VAL 185 N 2.95 1.44 -3.81 1.32 3.04 -1.99 -3.45 116.25 115.76 3aff h VAL 185 Ca -0.34 -2.21 -0.09 0.00 -1.01 0.00 0.00 66.70 63.05 3aff h VAL 185 Cb 1.18 2.20 -0.12 0.00 -2.01 0.00 0.00 31.29 32.53 3aff h VAL 185 CO 0.61 0.63 -0.29 -0.83 -1.01 0.00 0.00 177.57 176.68 3aff s GLY 186 N -4.48 0.37 -1.41 3.17 0.00 -1.26 -4.86 107.32 98.84 3aff s GLY 186 Ca -0.01 -0.78 -0.08 0.00 0.00 0.00 0.00 44.72 43.85 3aff s GLY 186 CO 0.76 -0.77 0.98 1.04 0.00 0.00 0.00 173.10 175.12 3aff n LEU 187 N -0.21 -3.04 0.14 0.66 4.77 -1.26 -4.89 117.00 113.17 3aff n LEU 187 Ca -0.09 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 3aff n LEU 187 Cb 0.63 -2.76 0.29 0.00 -2.33 0.00 0.00 43.42 39.25 3aff n LEU 187 CO 0.23 0.50 0.69 0.03 -1.33 0.00 0.00 177.39 177.51 3aff h ARG 188 N -2.19 0.12 -0.20 3.23 3.08 -1.89 -2.95 114.38 113.57 3aff h ARG 188 Ca -0.59 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.42 3aff h ARG 188 Cb 1.37 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3aff h ARG 188 CO 0.60 0.49 0.00 0.41 -1.07 0.00 0.00 179.97 180.40 3aff n GLY 189 N -0.35 0.05 0.10 0.04 0.00 -1.26 -3.83 105.19 99.94 3aff n GLY 189 Ca -0.02 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 1.42 0.00 -6.16 2.61 1.35 -1.72 -2.33 112.91 108.09 3aff h THR 190 Ca 0.00 -0.62 -0.44 0.00 -0.55 0.00 0.00 66.41 64.80 3aff h THR 190 Cb 0.32 1.33 0.02 0.00 -1.73 0.00 0.00 68.15 68.09 3aff h THR 190 CO 0.00 0.00 -0.80 0.61 -0.25 0.00 0.00 175.52 175.08 3aff n GLY 191 N 1.28 -0.38 2.63 5.82 0.00 -0.90 -0.91 105.19 112.73 3aff n GLY 191 Ca 0.03 0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.97 5.40 -4.13 1.61 7.64 -1.26 -3.85 113.62 116.06 3aff n SER 192 Ca -0.16 -2.67 -0.30 0.00 1.01 0.00 0.00 58.87 56.76 3aff n SER 192 Cb 0.62 -1.49 0.19 0.00 -1.01 0.00 0.00 64.21 62.51 3aff n SER 192 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3aff s ASN 193 N 3.14 3.13 -0.10 6.43 0.02 -1.22 -3.00 114.94 123.33 3aff s ASN 193 Ca 0.55 0.22 -0.04 0.00 -1.02 0.00 0.00 52.86 52.57 3aff s ASN 193 Cb 0.15 -0.26 -0.04 0.00 0.02 0.00 0.00 41.25 41.12 3aff s ASN 193 CO -0.05 -2.72 0.07 -0.89 0.02 0.00 0.00 177.10 173.53 3aff s THR 194 N -3.87 4.89 -0.23 1.60 2.01 -0.86 -1.59 115.64 117.60 3aff s THR 194 Ca 0.74 -0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.68 3aff s THR 194 Cb -0.04 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.38 3aff s THR 194 CO 0.53 0.61 -0.06 -0.76 -0.69 0.00 0.00 174.62 174.25 3aff s LEU 195 N -0.96 2.93 -0.21 4.42 1.43 0.11 -0.45 118.68 125.96 3aff s LEU 195 Ca 0.14 -0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 3aff s LEU 195 Cb -0.12 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3aff s LEU 195 CO 0.03 -0.05 0.04 -0.69 0.23 0.00 0.00 176.35 175.91 3aff s VAL 196 N 1.43 4.34 -0.10 -1.59 1.01 -0.15 -0.83 120.40 124.49 3aff s VAL 196 Ca 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3aff s VAL 196 Cb -0.15 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.27 3aff s VAL 196 CO -0.04 0.41 -0.11 -0.69 0.00 0.00 0.00 175.10 174.66 3aff s VAL 197 N 1.01 1.18 -0.13 2.92 1.01 -0.59 -2.29 120.40 123.51 3aff s VAL 197 Ca 0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3aff s VAL 197 Cb -0.14 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.14 3aff s VAL 197 CO 0.03 0.38 -0.05 -0.54 0.00 0.00 0.00 175.10 174.91 3aff s LYS 198 N 1.25 1.36 -1.35 2.72 1.02 -1.26 -1.64 119.74 121.84 3aff s LYS 198 Ca -0.03 -0.33 -0.01 0.00 0.02 0.00 0.00 55.97 55.62 3aff s LYS 198 Cb -0.14 -1.73 -0.00 0.00 -0.52 0.00 0.00 37.83 35.44 3aff s LYS 198 CO -0.04 -0.36 0.54 -0.25 -0.92 0.00 0.00 175.35 174.33 3aff n ASP 199 N 4.94 -0.85 -4.64 2.83 8.00 -0.97 -4.94 116.55 120.91 3aff n ASP 199 Ca -0.12 -0.94 -0.38 0.00 0.71 0.00 0.00 54.79 54.07 3aff n ASP 199 Cb 0.49 -3.45 -0.09 0.00 -0.02 0.00 0.00 41.12 38.04 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 -3.83 5.25 -0.11 2.53 1.01 -0.74 -4.85 120.40 119.67 3aff s VAL 200 Ca 0.02 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 3aff s VAL 200 Cb -0.01 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 3aff s VAL 200 CO 0.86 0.25 1.31 0.12 0.00 0.00 0.00 175.10 177.64 3aff s PHE 201 N 1.53 2.82 -0.18 5.22 5.36 -1.26 -0.51 117.98 130.96 3aff s PHE 201 Ca 0.13 0.93 0.00 0.00 -0.96 0.00 0.00 56.93 57.03 3aff s PHE 201 Cb -0.15 -3.55 0.01 0.00 -0.34 0.00 0.00 43.02 38.99 3aff s PHE 201 CO 0.08 -1.96 -0.17 0.08 -1.46 0.00 0.00 175.22 171.79 3aff s VAL 202 N 3.15 2.32 0.74 3.12 1.01 0.10 -4.97 120.40 125.88 3aff s VAL 202 Ca 0.58 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 3aff s VAL 202 Cb -0.25 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.18 3aff s VAL 202 CO 0.19 0.52 1.08 -2.16 0.00 0.00 0.00 175.10 174.73 3aff s PRO 203 N 1.27 2.52 0.48 2.72 0.04 -1.26 -1.09 135.00 139.67 3aff s PRO 203 Ca 0.04 1.10 0.22 0.00 0.04 0.00 0.00 61.00 62.40 3aff s PRO 203 Cb -0.14 -1.93 1.25 0.00 0.04 0.00 0.00 34.50 33.72 3aff s PRO 203 CO -0.10 -1.43 1.92 0.00 0.04 0.00 0.00 177.00 177.43 3aff h ARG 204 N -0.94 0.20 0.00 4.56 3.08 -1.89 0.63 114.38 120.02 3aff h ARG 204 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3aff h ARG 204 Cb 1.22 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3aff h ARG 204 CO 0.53 0.13 0.00 -2.39 -1.07 0.00 0.00 179.97 177.18 3aff n HIS 205 N -4.41 0.00 -1.29 3.04 1.44 -1.26 -2.66 115.22 110.08 3aff n HIS 205 Ca 0.15 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.80 3aff n HIS 205 Cb 0.69 -0.45 0.22 0.00 0.12 0.00 0.00 29.99 30.57 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 -1.45 2.32 -4.94 -1.40 1.74 0.21 -4.32 116.66 108.82 3aff n ARG 206 Ca 0.07 -3.09 -0.26 0.00 -0.77 0.00 0.00 57.85 53.80 3aff n ARG 206 Cb 0.25 -1.94 -0.16 0.00 -1.02 0.00 0.00 32.46 29.59 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 -3.16 1.76 -0.09 -1.55 5.36 -1.09 -0.74 117.98 118.46 3aff s PHE 207 Ca 0.48 -0.36 -0.00 0.00 -0.96 0.00 0.00 56.93 56.08 3aff s PHE 207 Cb 0.42 -1.14 0.02 0.00 -0.34 0.00 0.00 43.02 41.98 3aff s PHE 207 CO 0.05 -0.06 -0.06 -1.17 -1.46 0.00 0.00 175.22 172.53 3aff s LEU 208 N -0.37 1.05 0.37 6.12 2.96 -0.00 -4.96 118.68 123.84 3aff s LEU 208 Ca 0.06 -0.23 -0.26 0.00 -0.22 0.00 0.00 54.13 53.48 3aff s LEU 208 Cb -0.08 -0.71 -0.09 0.00 0.50 0.00 0.00 46.19 45.81 3aff s LEU 208 CO -0.00 -0.13 1.08 -0.55 -1.32 0.00 0.00 176.35 175.43 3aff s SER 209 N 1.68 6.87 0.40 3.68 0.15 -1.26 -1.26 113.70 123.96 3aff s SER 209 Ca 0.03 2.14 0.11 0.00 0.70 0.00 0.00 55.95 58.93 3aff s SER 209 Cb -0.13 -2.60 0.84 0.00 -1.71 0.00 0.00 66.02 62.43 3aff s SER 209 CO -0.06 -0.42 1.94 1.88 1.20 0.00 0.00 173.24 177.78 3aff h TYR 210 N 2.88 0.18 0.01 3.44 -1.99 -1.59 -2.26 116.97 117.63 3aff h TYR 210 Ca -0.48 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.23 3aff h TYR 210 Cb 1.22 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.89 3aff h TYR 210 CO 0.58 0.32 -0.00 -0.22 -0.00 0.00 0.00 178.16 178.83 3aff h LYS 211 N 0.17 -0.01 -0.57 4.88 3.64 -1.92 -1.20 116.57 121.56 3aff h LYS 211 Ca 0.03 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3aff h LYS 211 Cb 0.35 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 3aff h LYS 211 CO 0.02 0.13 0.37 0.00 -2.27 0.00 0.00 179.45 177.70 3aff h ALA 212 N 0.85 0.73 -0.09 5.00 0.00 -1.90 0.69 119.26 124.54 3aff h ALA 212 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3aff h ALA 212 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3aff h ALA 212 CO 0.00 0.15 -0.03 1.98 0.00 0.00 0.00 179.25 181.35 3aff h MET 213 N 0.76 -0.01 0.00 0.00 1.85 -1.33 -0.22 114.93 115.97 3aff h MET 213 Ca 0.21 0.00 -0.13 0.00 -0.61 0.00 0.00 59.70 59.18 3aff h MET 213 Cb -0.07 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 31.94 3aff h MET 213 CO -0.05 -0.01 -0.61 -0.91 -0.40 0.00 0.00 176.91 174.93 3aff h ASN 214 N -0.01 0.00 0.17 1.39 2.35 -0.61 -2.70 115.58 116.17 3aff h ASN 214 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3aff h ASN 214 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3aff h ASN 214 CO -0.10 0.61 0.00 0.44 -1.65 0.00 0.00 177.43 176.73 3aff h ASP 215 N 0.00 0.00 -2.09 5.81 3.32 0.44 -3.47 116.42 120.43 3aff h ASP 215 Ca -0.01 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.72 3aff h ASP 215 Cb 1.12 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 3aff h ASP 215 CO 0.08 0.00 -0.40 1.41 -1.72 0.00 0.00 179.24 178.61 3aff n HIS 216 N -3.00 -0.67 -0.24 4.55 8.25 -1.02 -4.93 115.22 118.17 3aff n HIS 216 Ca -0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.49 3aff n HIS 216 Cb 0.11 -3.22 0.14 0.00 1.12 0.00 0.00 29.99 28.14 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 -3.83 1.13 -1.70 1.59 -2.24 -0.14 -5.04 114.28 104.05 3aff n THR 217 Ca -0.19 -1.10 -0.43 0.00 -2.27 0.00 0.00 64.05 60.06 3aff n THR 217 Cb 0.63 0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.24 1.52 -0.11 6.98 0.00 -0.95 -4.88 120.51 123.31 3aff n ALA 218 Ca 0.11 0.38 0.04 0.00 0.00 0.00 0.00 53.44 53.97 3aff n ALA 218 Cb 0.45 -2.31 0.36 0.00 0.00 0.00 0.00 19.45 17.95 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 3.63 0.81 2.00 0.00 0.00 -1.80 -2.18 103.07 105.52 3aff h GLY 219 Ca -0.46 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 3aff h GLY 219 CO 0.71 0.25 -0.02 -1.33 0.00 0.00 0.00 176.54 176.15 3aff h GLY 220 N 0.72 0.00 2.00 4.60 0.00 -0.11 -2.49 103.07 107.80 3aff h GLY 220 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 3aff h GLY 220 CO -0.06 0.00 -0.09 1.41 0.00 0.00 0.00 176.54 177.80 3aff h LEU 221 N 0.00 0.00 -1.45 3.11 3.38 -1.57 0.24 115.31 119.03 3aff h LEU 221 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3aff h LEU 221 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3aff h LEU 221 CO 0.00 0.09 -0.20 0.00 0.09 0.00 0.00 178.44 178.42 3aff h ALA 222 N 1.91 1.14 0.00 1.53 0.00 -1.64 -3.28 119.26 118.92 3aff h ALA 222 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3aff h ALA 222 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3aff h ALA 222 CO 0.01 0.25 -0.32 0.25 0.00 0.00 0.00 179.25 179.44 3aff n THR 223 N -3.53 0.00 -3.91 0.00 -2.24 -0.86 -4.91 114.28 98.84 3aff n THR 223 Ca -0.01 -0.35 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 3aff n THR 223 Cb 0.35 0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.38 4.31 0.00 3.42 0.01 0.02 -4.96 114.94 116.36 3aff s ASN 224 Ca 0.00 -2.53 0.24 0.00 -0.71 0.00 0.00 52.86 49.86 3aff s ASN 224 Cb 0.01 -1.45 0.35 0.00 0.41 0.00 0.00 41.25 40.57 3aff s ASN 224 CO 0.05 -0.30 1.30 -1.54 -1.51 0.00 0.00 177.10 175.10 3aff n SER 225 N 3.73 0.93 -4.72 -1.22 3.41 -1.26 -4.52 113.62 109.97 3aff n SER 225 Ca 0.05 -0.73 -0.41 0.00 -0.26 0.00 0.00 58.87 57.51 3aff n SER 225 Cb 0.37 0.41 0.01 0.00 -0.26 0.00 0.00 64.21 64.73 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 -1.10 1.56 0.18 7.33 0.00 -1.26 -4.87 120.51 122.36 3aff n ALA 226 Ca 0.07 0.30 0.16 0.00 0.00 0.00 0.00 53.44 53.97 3aff n ALA 226 Cb 0.35 -2.30 0.76 0.00 0.00 0.00 0.00 19.45 18.26 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 2.37 0.00 -0.22 0.00 0.13 -1.91 -2.33 132.00 130.03 3aff h PRO 227 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3aff h PRO 227 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 3aff h PRO 227 CO 0.61 0.00 0.07 -0.24 -0.23 0.00 0.00 178.00 178.22 3aff h VAL 228 N 0.00 1.10 0.00 1.56 3.04 -1.87 0.54 116.25 120.63 3aff h VAL 228 Ca 0.10 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 3aff h VAL 228 Cb 0.45 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 3aff h VAL 228 CO -0.00 0.12 0.00 -1.22 -1.01 0.00 0.00 177.57 175.46 3aff n TYR 229 N -4.43 0.29 1.07 3.17 4.01 -0.88 -1.63 117.16 118.78 3aff n TYR 229 Ca 0.00 0.12 0.11 0.00 -0.16 0.00 0.00 57.90 57.97 3aff n TYR 229 Cb 0.13 -0.69 0.34 0.00 -0.31 0.00 0.00 39.34 38.81 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 -1.77 1.88 -2.12 -0.72 5.02 0.18 -4.96 118.16 115.67 3aff n LYS 230 Ca 0.03 -1.32 -0.37 0.00 -2.02 0.00 0.00 58.31 54.62 3aff n LYS 230 Cb 0.17 -1.42 0.01 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.76 3.46 0.31 1.97 -1.94 -0.64 -4.95 119.30 115.76 3aff s MET 231 Ca 0.33 1.86 -0.28 0.00 -1.71 0.00 0.00 55.69 55.90 3aff s MET 231 Cb 0.19 -2.26 -0.09 0.00 2.01 0.00 0.00 34.83 34.67 3aff s MET 231 CO 0.28 -0.82 1.09 -1.25 -0.01 0.00 0.00 175.02 174.30 3aff s PRO 232 N -2.90 4.52 0.25 2.03 0.04 -1.26 -4.92 135.00 132.75 3aff s PRO 232 Ca 0.68 1.74 -0.04 0.00 0.04 0.00 0.00 61.00 63.43 3aff s PRO 232 Cb -0.31 -3.04 0.44 0.00 0.04 0.00 0.00 34.50 31.64 3aff s PRO 232 CO 0.36 0.12 1.78 2.35 0.04 0.00 0.00 177.00 181.65 3aff h TRP 233 N 3.50 0.75 0.00 0.56 2.91 -1.92 0.72 115.95 122.47 3aff h TRP 233 Ca -0.47 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.57 3aff h TRP 233 Cb 1.21 -0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 29.65 3aff h TRP 233 CO 0.58 0.24 -0.04 0.78 -1.03 0.00 0.00 178.44 178.97 3aff h GLY 234 N 0.66 0.00 0.15 2.65 0.00 -1.75 0.11 103.07 104.90 3aff h GLY 234 Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.47 3aff h GLY 234 CO -0.31 0.00 -1.48 2.41 0.00 0.00 0.00 176.54 177.16 3aff n THR 235 N -3.24 1.60 -0.23 4.70 -1.04 -1.03 -4.40 114.28 110.64 3aff n THR 235 Ca -0.01 -0.19 -0.08 0.00 -2.04 0.00 0.00 64.05 61.72 3aff n THR 235 Cb 0.23 -1.96 0.03 0.00 -1.82 0.00 0.00 70.33 66.82 3aff n THR 235 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 3aff h MET 236 N -0.73 1.10 0.40 -2.82 2.86 -0.24 -2.28 114.93 113.21 3aff h MET 236 Ca -0.38 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 56.94 3aff h MET 236 Cb 1.50 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.04 3aff h MET 236 CO -0.14 1.02 -0.19 1.25 1.06 0.00 0.00 176.91 179.91 3aff h HIS 237 N 1.02 -0.49 -0.20 -0.22 6.17 -1.03 -2.57 115.15 117.83 3aff h HIS 237 Ca 0.20 -0.01 -0.08 0.00 0.71 0.00 0.00 60.37 61.19 3aff h HIS 237 Cb 0.47 0.16 -0.01 0.00 2.52 0.00 0.00 27.41 30.55 3aff h HIS 237 CO 0.03 -0.17 -0.22 -1.00 0.71 0.00 0.00 177.93 177.29 3aff h PRO 238 N -0.94 0.35 -0.25 5.26 0.13 -1.76 -2.91 132.00 131.87 3aff h PRO 238 Ca -0.05 -0.11 0.06 0.00 -0.87 0.00 0.00 66.00 65.02 3aff h PRO 238 Cb 0.55 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 3aff h PRO 238 CO 0.09 0.56 0.18 1.15 -0.23 0.00 0.00 178.00 179.75 3aff h THR 239 N 0.32 0.91 -0.94 1.56 2.02 -1.41 -1.04 112.91 114.33 3aff h THR 239 Ca 0.05 -0.02 0.19 0.00 0.77 0.00 0.00 66.41 67.40 3aff h THR 239 Cb 0.57 0.84 -0.08 0.00 -1.74 0.00 0.00 68.15 67.74 3aff h THR 239 CO 0.04 0.01 0.60 0.00 0.37 0.00 0.00 175.52 176.54 3aff h THR 240 N 0.06 0.72 0.04 3.16 1.03 -1.25 -0.64 112.91 116.04 3aff h THR 240 Ca 0.12 -0.20 -0.22 0.00 -0.01 0.00 0.00 66.41 66.09 3aff h THR 240 Cb 0.38 0.08 -0.02 0.00 -1.07 0.00 0.00 68.15 67.53 3aff h THR 240 CO -0.01 0.11 -1.17 0.40 -0.01 0.00 0.00 175.52 174.83 3aff h ILE 241 N 0.59 1.05 -0.63 0.00 1.08 -1.37 -3.39 117.51 114.84 3aff h ILE 241 Ca 0.50 -2.27 -0.09 0.00 -0.39 0.00 0.00 64.86 62.61 3aff h ILE 241 Cb 0.99 2.53 -0.02 0.00 -3.07 0.00 0.00 36.82 37.25 3aff h ILE 241 CO -0.25 0.50 0.03 0.28 -0.69 0.00 0.00 178.15 178.02 3aff h SER 242 N -0.74 1.06 0.01 1.72 0.02 -1.04 -2.83 113.55 111.75 3aff h SER 242 Ca -0.29 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.38 3aff h SER 242 Cb 1.43 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 3aff h SER 242 CO -0.09 1.09 -0.10 0.00 -1.14 0.00 0.00 176.83 176.59 3aff h ALA 243 N 1.01 -0.12 0.00 3.77 0.00 -1.34 0.88 119.26 123.47 3aff h ALA 243 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3aff h ALA 243 Cb 0.53 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3aff h ALA 243 CO 0.03 -0.60 -0.28 -1.00 0.00 0.00 0.00 179.25 177.40 3aff h PRO 244 N -0.18 0.00 -0.25 0.00 0.13 -1.75 -1.30 132.00 128.65 3aff h PRO 244 Ca 0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.15 3aff h PRO 244 Cb 0.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 3aff h PRO 244 CO -0.10 0.28 0.08 0.82 -0.23 0.00 0.00 178.00 178.84 3aff h ILE 245 N 0.00 1.20 -0.13 -3.56 2.04 -1.21 0.92 117.51 116.77 3aff h ILE 245 Ca -0.00 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.27 3aff h ILE 245 Cb 0.60 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3aff h ILE 245 CO 0.04 0.20 -0.13 0.58 0.00 0.00 0.00 178.15 178.84 3aff h VAL 246 N 0.23 0.64 -1.00 1.67 2.07 -0.51 -1.81 116.25 117.54 3aff h VAL 246 Ca 0.08 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.84 3aff h VAL 246 Cb 0.24 0.64 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 3aff h VAL 246 CO -0.00 0.00 0.64 1.23 0.02 0.00 0.00 177.57 179.46 3aff h GLY 247 N -0.15 1.29 2.00 2.17 0.00 -1.04 0.22 103.07 107.56 3aff h GLY 247 Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3aff h GLY 247 CO -0.22 -0.10 -0.07 -0.33 0.00 0.00 0.00 176.54 175.82 3aff h MET 248 N 0.48 0.00 -0.01 4.80 2.07 0.06 -0.40 114.93 121.93 3aff h MET 248 Ca 0.57 0.00 -0.23 0.00 -2.07 0.00 0.00 59.70 57.97 3aff h MET 248 Cb 1.30 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.03 3aff h MET 248 CO -0.30 0.07 -0.94 0.00 1.07 0.00 0.00 176.91 176.81 3aff h ALA 249 N 1.93 0.35 -0.71 6.32 0.00 -0.29 -2.10 119.26 124.76 3aff h ALA 249 Ca -0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 3aff h ALA 249 Cb 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3aff h ALA 249 CO 0.01 0.80 0.43 1.88 0.00 0.00 0.00 179.25 182.37 3aff h TYR 250 N 0.25 0.94 -0.70 0.00 -1.99 -1.11 -1.36 116.97 113.01 3aff h TYR 250 Ca -0.08 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.69 3aff h TYR 250 Cb 1.57 -0.31 -0.05 0.00 2.00 0.00 0.00 36.73 39.95 3aff h TYR 250 CO 0.06 0.64 0.42 0.78 -0.00 0.00 0.00 178.16 180.06 3aff h GLY 251 N 0.97 1.02 0.94 3.88 0.00 -1.00 -1.99 103.07 106.89 3aff h GLY 251 Ca 0.26 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 3aff h GLY 251 CO -0.05 0.24 0.07 0.00 0.00 0.00 0.00 176.54 176.81 3aff h ALA 252 N 1.32 0.54 -0.11 3.60 0.00 -1.12 -1.75 119.26 121.74 3aff h ALA 252 Ca 0.29 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3aff h ALA 252 Cb 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3aff h ALA 252 CO -0.14 0.24 -0.10 -0.92 0.00 0.00 0.00 179.25 178.34 3aff h TYR 253 N 0.52 -0.23 -0.96 0.00 3.20 -1.08 -1.23 116.97 117.20 3aff h TYR 253 Ca 0.12 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3aff h TYR 253 Cb 0.36 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 3aff h TYR 253 CO 0.02 -0.15 0.59 0.00 -1.64 0.00 0.00 178.16 176.99 3aff h ALA 254 N 0.97 1.24 -0.18 1.82 0.00 -1.26 -1.37 119.26 120.46 3aff h ALA 254 Ca 0.07 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3aff h ALA 254 Cb 0.22 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3aff h ALA 254 CO -0.18 0.67 -0.19 0.00 0.00 0.00 0.00 179.25 179.55 3aff h ALA 255 N 1.33 1.34 -0.09 0.00 0.00 -1.00 -0.81 119.26 120.03 3aff h ALA 255 Ca 0.35 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 3aff h ALA 255 Cb -0.08 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.62 3aff h ALA 255 CO -0.07 0.45 -0.78 1.25 0.00 0.00 0.00 179.25 180.10 3aff h HIS 256 N 0.29 0.96 -0.15 0.00 6.17 -0.71 -2.83 115.15 118.88 3aff h HIS 256 Ca 0.05 -0.46 -0.00 0.00 0.71 0.00 0.00 60.37 60.67 3aff h HIS 256 Cb 0.50 -0.14 -0.01 0.00 2.52 0.00 0.00 27.41 30.29 3aff h HIS 256 CO 0.01 1.28 0.08 0.28 0.71 0.00 0.00 177.93 180.29 3aff h VAL 257 N 0.37 1.11 -0.81 5.26 2.07 -1.02 -3.24 116.25 119.98 3aff h VAL 257 Ca -0.07 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.19 3aff h VAL 257 Cb 1.42 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 3aff h VAL 257 CO 0.16 0.10 0.53 -0.08 0.02 0.00 0.00 177.57 178.30 3aff h GLU 258 N 0.14 0.93 0.00 1.57 4.57 -1.19 -2.79 114.58 117.80 3aff h GLU 258 Ca 0.05 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3aff h GLU 258 Cb 0.09 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 3aff h GLU 258 CO -0.01 0.62 0.00 1.25 -1.18 0.00 0.00 179.01 179.69 3aff h HIS 259 N 0.96 0.00 0.00 0.92 2.76 -1.53 -3.51 115.15 114.75 3aff h HIS 259 Ca 0.33 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 3aff h HIS 259 Cb 0.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.07 3aff h HIS 259 CO -0.00 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.63 3aff n GLN 260 N -2.92 0.00 0.00 5.26 10.64 -1.06 -5.12 117.38 124.19 3aff n GLN 260 Ca 0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 3aff n GLN 260 Cb 0.38 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.76 3aff n GLN 260 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 3aff n ILE 283 N 0.00 0.00 0.30 -0.39 -0.00 -1.26 -5.06 119.36 112.95 3aff n ILE 283 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 62.75 62.59 3aff n ILE 283 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 39.56 3aff n ILE 283 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3aff h ALA 284 N 0.84 -0.73 0.00 -1.39 0.00 -2.04 -3.40 119.26 112.54 3aff h ALA 284 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3aff h ALA 284 Cb 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3aff h ALA 284 CO 0.00 -0.86 -0.35 -0.85 0.00 0.00 0.00 179.25 177.19 3aff n GLU 285 N -5.37 0.95 0.14 0.00 0.00 -1.26 -4.70 120.64 110.41 3aff n GLU 285 Ca -0.12 -2.38 -0.13 0.00 0.00 0.00 0.00 57.16 54.52 3aff n GLU 285 Cb 0.32 -1.15 -0.07 0.00 0.00 0.00 0.00 31.44 30.54 3aff n GLU 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3aff h ALA 286 N 0.38 -0.34 -0.39 -1.84 0.00 -1.95 0.72 119.26 115.83 3aff h ALA 286 Ca -0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3aff h ALA 286 Cb 1.19 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3aff h ALA 286 CO 0.01 -0.71 0.03 0.00 0.00 0.00 0.00 179.25 178.58 3aff h ALA 287 N 0.42 1.32 0.00 0.00 0.00 -1.89 -2.34 119.26 116.78 3aff h ALA 287 Ca -0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3aff h ALA 287 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3aff h ALA 287 CO -0.02 0.47 -1.02 0.66 0.00 0.00 0.00 179.25 179.33 3aff h SER 288 N 0.58 0.00 -0.51 0.00 4.64 -1.85 -2.67 113.55 113.74 3aff h SER 288 Ca 0.13 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.32 3aff h SER 288 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3aff h SER 288 CO 0.01 0.31 -0.15 0.44 -0.87 0.00 0.00 176.83 176.57 3aff h ASP 289 N 0.00 1.02 -0.08 4.97 3.32 -0.67 -1.72 116.42 123.26 3aff h ASP 289 Ca -0.07 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 3aff h ASP 289 Cb 1.30 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 3aff h ASP 289 CO 0.03 1.16 0.02 0.40 -1.72 0.00 0.00 179.24 179.12 3aff h ILE 290 N 0.87 1.19 -0.77 0.35 2.04 -1.45 -0.38 117.51 119.36 3aff h ILE 290 Ca 0.13 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3aff h ILE 290 Cb 0.73 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 3aff h ILE 290 CO 0.06 0.17 0.50 0.44 0.00 0.00 0.00 178.15 179.31 3aff h ASP 291 N -0.09 0.84 -0.46 1.72 3.32 -1.53 -1.74 116.42 118.48 3aff h ASP 291 Ca 0.02 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 3aff h ASP 291 Cb 0.25 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3aff h ASP 291 CO 0.00 0.59 -0.05 0.00 -1.72 0.00 0.00 179.24 178.06 3aff h ALA 292 N 1.31 0.95 -0.41 3.45 0.00 -1.14 -1.40 119.26 122.02 3aff h ALA 292 Ca 0.30 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3aff h ALA 292 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3aff h ALA 292 CO -0.09 0.62 0.13 0.00 0.00 0.00 0.00 179.25 179.91 3aff h ALA 293 N 1.12 0.54 0.32 0.00 0.00 -0.76 -1.86 119.26 118.61 3aff h ALA 293 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3aff h ALA 293 Cb 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3aff h ALA 293 CO 0.03 0.18 -0.15 2.35 0.00 0.00 0.00 179.25 181.66 3aff h TRP 294 N 0.52 -0.40 -0.68 0.00 2.91 -1.22 -1.02 115.95 116.06 3aff h TRP 294 Ca 0.13 -0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.26 3aff h TRP 294 Cb 0.25 0.13 -0.09 0.00 -0.51 0.00 0.00 29.16 28.95 3aff h TRP 294 CO 0.01 -0.20 0.25 0.00 -1.03 0.00 0.00 178.44 177.47 3aff h ARG 295 N -0.50 0.40 0.12 2.65 3.08 -1.20 -1.06 114.38 117.87 3aff h ARG 295 Ca -0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3aff h ARG 295 Cb 0.37 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3aff h ARG 295 CO 0.07 0.26 -0.06 0.37 -1.07 0.00 0.00 179.97 179.55 3aff h GLN 296 N 0.41 -0.16 -0.01 0.04 4.15 -1.27 0.10 115.11 118.38 3aff h GLN 296 Ca 0.36 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.79 3aff h GLN 296 Cb 0.51 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 3aff h GLN 296 CO -0.37 -0.07 0.01 1.25 -1.93 0.00 0.00 178.83 177.72 3aff h LEU 297 N -0.20 0.02 -0.47 -2.39 5.85 -0.63 -2.92 115.31 114.56 3aff h LEU 297 Ca -0.02 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 3aff h LEU 297 Cb 0.16 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3aff h LEU 297 CO 0.03 0.08 -0.43 -0.29 -0.34 0.00 0.00 178.44 177.48 3aff h ILE 298 N -0.05 0.84 -0.69 4.05 6.09 -1.29 -3.11 117.51 123.35 3aff h ILE 298 Ca 0.00 -1.85 0.04 0.00 -1.37 0.00 0.00 64.86 61.68 3aff h ILE 298 Cb 0.06 2.18 -0.05 0.00 0.47 0.00 0.00 36.82 39.48 3aff h ILE 298 CO -0.00 0.42 0.42 1.23 -3.07 0.00 0.00 178.15 177.15 3aff h GLY 299 N 2.81 1.01 1.59 8.18 0.00 -0.80 -1.12 103.07 114.73 3aff h GLY 299 Ca -0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 3aff h GLY 299 CO 0.06 0.23 -0.30 3.43 0.00 0.00 0.00 176.54 179.95 3aff h ASN 300 N 0.79 0.48 0.18 0.19 -0.26 -1.45 -1.64 115.58 113.87 3aff h ASN 300 Ca 0.29 -0.18 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 3aff h ASN 300 Cb 0.09 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 3aff h ASN 300 CO -0.14 0.76 -0.09 0.58 -1.06 0.00 0.00 177.43 177.49 3aff h VAL 301 N 0.41 0.91 -0.70 2.81 2.07 -1.51 -2.52 116.25 117.71 3aff h VAL 301 Ca 0.05 -0.41 0.10 0.00 0.82 0.00 0.00 66.70 67.26 3aff h VAL 301 Cb 0.74 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 3aff h VAL 301 CO 0.06 0.09 0.33 0.28 0.02 0.00 0.00 177.57 178.35 3aff h SER 302 N -0.44 0.40 -0.70 0.57 0.02 -1.22 -0.58 113.55 111.60 3aff h SER 302 Ca -0.02 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3aff h SER 302 Cb 0.34 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 3aff h SER 302 CO 0.04 0.22 0.35 0.44 -1.14 0.00 0.00 176.83 176.74 3aff h ASP 303 N 0.55 0.91 -0.11 3.07 3.32 -1.26 0.46 116.42 123.36 3aff h ASP 303 Ca 0.35 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3aff h ASP 303 Cb 0.40 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 3aff h ASP 303 CO -0.29 0.78 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.63 3aff h GLU 304 N 0.98 0.23 -0.55 3.56 5.08 -1.17 -2.79 114.58 119.91 3aff h GLU 304 Ca 0.24 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3aff h GLU 304 Cb 0.11 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3aff h GLU 304 CO -0.03 0.57 0.18 -0.92 -1.00 0.00 0.00 179.01 177.80 3aff h TYR 305 N -0.12 0.84 -0.78 4.33 3.20 -0.95 -2.37 116.97 121.11 3aff h TYR 305 Ca 0.03 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 3aff h TYR 305 Cb 0.49 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 3aff h TYR 305 CO 0.06 0.68 0.40 0.00 -1.64 0.00 0.00 178.16 177.66 3aff h ALA 306 N 1.39 1.23 -0.52 1.82 0.00 -0.89 -0.10 119.26 122.19 3aff h ALA 306 Ca 0.18 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3aff h ALA 306 Cb 0.23 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3aff h ALA 306 CO -0.01 0.60 -0.05 -0.07 0.00 0.00 0.00 179.25 179.72 3aff h LEU 307 N 1.10 0.95 -0.34 0.00 3.38 -1.16 -2.93 115.31 116.31 3aff h LEU 307 Ca 0.27 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3aff h LEU 307 Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3aff h LEU 307 CO -0.04 1.05 -0.13 -0.07 0.09 0.00 0.00 178.44 179.34 3aff h LEU 308 N 0.82 0.70 -2.00 1.67 3.38 -0.89 0.41 115.31 119.41 3aff h LEU 308 Ca 0.14 -0.39 0.19 0.00 0.09 0.00 0.00 57.88 57.91 3aff h LEU 308 Cb 0.60 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3aff h LEU 308 CO 0.04 0.93 0.49 0.00 0.09 0.00 0.00 178.44 179.99 3aff h ALA 309 N 0.79 2.62 -0.08 1.53 0.00 -1.09 0.63 119.26 123.67 3aff h ALA 309 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3aff h ALA 309 Cb 0.65 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3aff h ALA 309 CO 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 179.25 178.45 3aff n ALA 310 N -2.65 2.56 -1.06 0.00 0.00 -0.84 -4.90 120.51 113.62 3aff n ALA 310 Ca 0.13 -0.45 -0.02 0.00 0.00 0.00 0.00 53.44 53.10 3aff n ALA 310 Cb 0.75 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 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 1.13 0.56 3.92 0.00 0.00 0.21 -5.04 105.19 105.97 3aff n GLY 311 Ca 0.18 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.00 3.25 0.30 1.61 1.02 0.14 -4.99 119.74 119.06 3aff s LYS 312 Ca 0.00 -0.87 -0.20 0.00 0.02 0.00 0.00 55.97 54.92 3aff s LYS 312 Cb 0.00 -2.77 -0.09 0.00 -0.52 0.00 0.00 37.83 34.45 3aff s LYS 312 CO 0.00 0.42 0.80 -1.21 -0.92 0.00 0.00 175.35 174.44 3aff s GLU 313 N -3.93 4.24 -0.14 1.68 2.02 -1.26 -3.83 118.70 117.48 3aff s GLU 313 Ca 0.34 0.93 -0.25 0.00 0.02 0.00 0.00 54.97 56.01 3aff s GLU 313 Cb -0.09 -2.64 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 3aff s GLU 313 CO 0.28 0.25 0.80 0.42 0.02 0.00 0.00 175.26 177.03 3aff s ILE 314 N -1.76 4.92 0.61 -1.63 1.01 -1.26 -4.93 121.20 118.16 3aff s ILE 314 Ca 0.50 1.59 -0.13 0.00 0.00 0.00 0.00 60.65 62.61 3aff s ILE 314 Cb -0.14 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 3aff s ILE 314 CO 0.19 0.08 1.03 -2.16 0.00 0.00 0.00 174.94 174.09 3aff s PRO 315 N 1.84 3.42 0.24 2.79 0.05 -1.26 -4.94 135.00 137.15 3aff s PRO 315 Ca 0.38 0.95 -0.05 0.00 0.05 0.00 0.00 61.00 62.33 3aff s PRO 315 Cb -0.17 -2.06 0.34 0.00 0.05 0.00 0.00 34.50 32.66 3aff s PRO 315 CO 0.14 -0.71 1.86 0.35 0.05 0.00 0.00 177.00 178.68 3aff h PHE 316 N -0.01 1.02 -0.11 0.56 3.57 -1.99 -1.93 116.94 118.05 3aff h PHE 316 Ca -0.45 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 3aff h PHE 316 Cb 1.20 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3aff h PHE 316 CO 0.63 0.52 0.05 1.05 -2.23 0.00 0.00 178.31 178.33 3aff h GLU 317 N 1.01 0.15 -0.09 1.11 4.11 -1.99 0.22 114.58 119.10 3aff h GLU 317 Ca 0.38 -0.01 -0.07 0.00 0.07 0.00 0.00 59.36 59.73 3aff h GLU 317 Cb 0.16 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3aff h GLU 317 CO -0.17 0.12 -0.23 1.25 0.07 0.00 0.00 179.01 180.05 3aff h LEU 318 N 0.15 0.36 -0.69 3.06 5.85 -1.73 -1.61 115.31 120.70 3aff h LEU 318 Ca 0.04 -0.59 0.01 0.00 0.84 0.00 0.00 57.88 58.18 3aff h LEU 318 Cb 0.02 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3aff h LEU 318 CO -0.01 0.88 0.46 0.03 -0.34 0.00 0.00 178.44 179.47 3aff h ARG 319 N -0.15 0.91 -0.20 1.25 3.08 -1.17 -1.14 114.38 116.96 3aff h ARG 319 Ca -0.00 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.04 3aff h ARG 319 Cb 0.84 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.64 3aff h ARG 319 CO 0.05 0.60 -0.09 0.00 -1.07 0.00 0.00 179.97 179.46 3aff h ALA 320 N 1.25 0.08 -0.78 0.04 0.00 -0.96 -1.27 119.26 117.62 3aff h ALA 320 Ca 0.25 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.37 3aff h ALA 320 Cb -0.11 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 3aff h ALA 320 CO -0.06 -0.52 0.37 0.00 0.00 0.00 0.00 179.25 179.05 3aff h ARG 321 N -0.07 0.55 -0.52 0.00 3.08 -1.15 -2.37 114.38 113.91 3aff h ARG 321 Ca 0.11 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 3aff h ARG 321 Cb 0.23 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3aff h ARG 321 CO -0.25 0.37 0.05 0.00 -1.07 0.00 0.00 179.97 179.07 3aff h ALA 322 N 1.51 1.11 -0.15 0.04 0.00 -0.54 -0.56 119.26 120.68 3aff h ALA 322 Ca 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3aff h ALA 322 Cb 0.54 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3aff h ALA 322 CO -0.34 0.58 0.03 0.00 0.00 0.00 0.00 179.25 179.51 3aff h ARG 323 N 0.79 0.24 -0.22 0.00 2.47 -0.94 -2.76 114.38 113.95 3aff h ARG 323 Ca 0.16 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.76 3aff h ARG 323 Cb 0.40 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 3aff h ARG 323 CO 0.01 0.41 -0.11 0.07 0.56 0.00 0.00 179.97 180.91 3aff h ARG 324 N 0.03 0.36 0.00 0.04 0.11 -1.27 -2.64 114.38 111.00 3aff h ARG 324 Ca 0.04 -0.09 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 3aff h ARG 324 Cb 0.28 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.32 3aff h ARG 324 CO 0.00 0.48 -0.03 -0.44 0.10 0.00 0.00 179.97 180.08 3aff h ASP 325 N 0.34 0.00 0.31 0.08 3.32 -0.98 -3.05 116.42 116.44 3aff h ASP 325 Ca 0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3aff h ASP 325 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3aff h ASP 325 CO 0.02 0.03 -0.18 1.56 -1.72 0.00 0.00 179.24 178.95 3aff h GLN 326 N 0.00 -0.45 -0.46 3.56 1.08 -1.18 -0.37 115.11 117.29 3aff h GLN 326 Ca -0.00 0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 3aff h GLN 326 Cb 0.38 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 3aff h GLN 326 CO 0.00 -0.30 0.13 -0.39 -0.95 0.00 0.00 178.83 177.33 3aff h VAL 327 N -0.47 1.19 -0.21 -0.54 -1.51 -1.70 -2.53 116.25 110.47 3aff h VAL 327 Ca -0.03 -0.67 -0.03 0.00 -1.23 0.00 0.00 66.70 64.74 3aff h VAL 327 Cb 0.38 0.70 -0.01 0.00 -2.13 0.00 0.00 31.29 30.23 3aff h VAL 327 CO 0.04 0.25 0.03 0.03 -1.23 0.00 0.00 177.57 176.69 3aff h ARG 328 N 0.67 0.36 -0.03 5.19 3.08 -1.38 0.16 114.38 122.42 3aff h ARG 328 Ca 0.16 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3aff h ARG 328 Cb 0.22 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3aff h ARG 328 CO -0.01 0.51 0.02 0.00 -1.07 0.00 0.00 179.97 179.42 3aff h ALA 329 N 0.83 0.04 -0.25 0.04 0.00 -1.05 -1.12 119.26 117.75 3aff h ALA 329 Ca 0.06 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3aff h ALA 329 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3aff h ALA 329 CO 0.01 -0.41 -0.55 1.15 0.00 0.00 0.00 179.25 179.44 3aff h THR 330 N -0.05 1.29 -0.38 0.00 2.02 -1.46 -1.98 112.91 112.35 3aff h THR 330 Ca 0.01 -1.74 0.05 0.00 0.77 0.00 0.00 66.41 65.50 3aff h THR 330 Cb 0.10 1.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.20 3aff h THR 330 CO -0.00 0.56 0.09 1.23 0.37 0.00 0.00 175.52 177.77 3aff h GLY 331 N 0.56 0.45 0.98 2.16 0.00 -0.62 -0.49 103.07 106.13 3aff h GLY 331 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 3aff h GLY 331 CO 0.12 -0.01 0.18 3.21 0.00 0.00 0.00 176.54 180.04 3aff h ARG 332 N 0.23 0.39 -0.11 4.80 3.08 -1.17 -0.77 114.38 120.83 3aff h ARG 332 Ca 0.18 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.22 3aff h ARG 332 Cb 0.19 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3aff h ARG 332 CO -0.21 0.29 -0.04 0.77 -1.07 0.00 0.00 179.97 179.70 3aff h SER 333 N 0.38 -0.15 -0.48 7.04 0.02 -1.26 -1.93 113.55 117.17 3aff h SER 333 Ca 0.11 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 3aff h SER 333 Cb -0.00 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3aff h SER 333 CO -0.02 -0.06 -0.17 0.40 -1.14 0.00 0.00 176.83 175.84 3aff h ILE 334 N -0.03 1.27 -0.22 3.27 5.03 -1.00 -1.40 117.51 124.43 3aff h ILE 334 Ca 0.06 -1.33 0.05 0.00 -0.12 0.00 0.00 64.86 63.52 3aff h ILE 334 Cb 0.12 1.11 -0.05 0.00 -3.03 0.00 0.00 36.82 34.97 3aff h ILE 334 CO -0.13 0.46 -0.08 0.00 -0.68 0.00 0.00 178.15 177.72 3aff h ALA 335 N 0.87 0.11 -0.50 1.87 0.00 -0.91 0.17 119.26 120.87 3aff h ALA 335 Ca 0.11 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3aff h ALA 335 Cb 0.74 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3aff h ALA 335 CO 0.06 -0.50 0.24 0.77 0.00 0.00 0.00 179.25 179.82 3aff h SER 336 N -0.04 0.33 -0.84 0.00 0.02 -1.29 -1.02 113.55 110.71 3aff h SER 336 Ca 0.11 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.16 3aff h SER 336 Cb 0.21 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.67 3aff h SER 336 CO -0.25 0.23 0.52 0.40 -1.14 0.00 0.00 176.83 176.58 3aff h ILE 337 N 0.47 1.04 -0.10 3.27 2.04 -0.55 -0.30 117.51 123.37 3aff h ILE 337 Ca 0.22 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.78 3aff h ILE 337 Cb 0.15 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 3aff h ILE 337 CO -0.17 0.17 -0.03 0.44 0.00 0.00 0.00 178.15 178.57 3aff h ASP 338 N 0.94 -0.10 -0.12 1.72 3.32 -0.05 0.46 116.42 122.60 3aff h ASP 338 Ca 0.37 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.46 3aff h ASP 338 Cb 0.17 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3aff h ASP 338 CO -0.17 -0.04 0.01 0.03 -1.72 0.00 0.00 179.24 177.35 3aff h ARG 339 N -0.00 0.06 -0.55 3.56 3.08 -1.02 -2.24 114.38 117.26 3aff h ARG 339 Ca 0.05 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.17 3aff h ARG 339 Cb 0.08 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 3aff h ARG 339 CO -0.10 0.04 0.22 -0.07 -1.07 0.00 0.00 179.97 178.98 3aff h LEU 340 N 0.06 0.25 -1.54 3.04 3.38 -0.92 -1.99 115.31 117.60 3aff h LEU 340 Ca 0.05 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3aff h LEU 340 Cb 0.05 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3aff h LEU 340 CO -0.08 0.17 0.35 0.15 0.09 0.00 0.00 178.44 179.12 3aff h PHE 341 N 0.42 0.58 -0.00 1.13 3.57 -0.63 -1.96 116.94 120.05 3aff h PHE 341 Ca 0.26 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.78 3aff h PHE 341 Cb 0.27 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3aff h PHE 341 CO -0.15 0.34 -0.15 0.39 -2.23 0.00 0.00 178.31 176.51 3aff n GLU 342 N -4.47 0.61 -0.76 1.11 1.02 -0.81 -4.00 120.64 113.34 3aff n GLU 342 Ca 0.06 -0.23 0.06 0.00 -0.02 0.00 0.00 57.16 57.02 3aff n GLU 342 Cb 0.14 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.21 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 -0.99 3.03 -1.37 0.62 0.00 -0.75 -4.72 120.51 116.32 3aff n ALA 343 Ca 0.13 -2.81 0.05 0.00 0.00 0.00 0.00 53.44 50.80 3aff n ALA 343 Cb 0.30 -0.47 0.19 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.67 2.27 0.00 0.00 7.64 -1.12 -5.00 113.62 116.74 3aff n SER 344 Ca 0.14 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.43 3aff n SER 344 Cb 0.80 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 -1.14 0.18 0.08 0.23 0.00 -1.26 -4.30 105.19 98.98 3aff n GLY 345 Ca 0.22 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.66 3aff n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aff n ALA 346 N 0.36 1.64 1.48 4.61 0.00 -1.26 -1.89 120.51 125.44 3aff n ALA 346 Ca 0.00 0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.62 3aff n ALA 346 Cb 0.00 -1.33 0.60 0.00 0.00 0.00 0.00 19.45 18.72 3aff n ALA 346 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3aff n THR 347 N -1.98 0.00 0.27 0.00 -2.24 -1.26 -4.33 114.28 104.74 3aff n THR 347 Ca 0.02 -0.10 0.18 0.00 -2.27 0.00 0.00 64.05 61.88 3aff n THR 347 Cb 0.20 0.05 0.93 0.00 -2.10 0.00 0.00 70.33 69.41 3aff n THR 347 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3aff h ALA 348 N 3.83 1.52 0.00 6.98 0.00 -1.56 0.13 119.26 130.15 3aff h ALA 348 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3aff h ALA 348 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3aff h ALA 348 CO 0.00 -0.20 0.00 -0.07 0.00 0.00 0.00 179.25 178.98 3aff h LEU 349 N 0.00 0.00 -9.90 0.00 3.38 -1.84 -3.34 115.31 103.61 3aff h LEU 349 Ca 0.04 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.47 3aff h LEU 349 Cb 0.35 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.20 3aff h LEU 349 CO -0.00 0.00 0.77 -0.24 0.09 0.00 0.00 178.44 179.06 3aff n SER 350 N -2.99 3.72 0.27 -0.43 2.88 0.46 -4.87 113.62 112.66 3aff n SER 350 Ca 0.02 1.21 0.14 0.00 -1.33 0.00 0.00 58.87 58.92 3aff n SER 350 Cb 0.41 -1.60 0.77 0.00 -0.75 0.00 0.00 64.21 63.03 3aff n SER 350 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3aff h ASN 351 N 3.25 0.00 -0.01 -3.46 2.35 -1.90 -1.68 115.58 114.12 3aff h ASN 351 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3aff h ASN 351 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 3aff h ASN 351 CO 0.67 0.00 -0.02 -0.62 -1.65 0.00 0.00 177.43 175.81 3aff n GLU 352 N -2.63 1.84 -3.22 0.81 -0.58 -1.26 -4.90 120.64 110.70 3aff n GLU 352 Ca -0.02 -1.27 -0.40 0.00 -0.42 0.00 0.00 57.16 55.05 3aff n GLU 352 Cb 0.24 -1.47 -0.07 0.00 -0.57 0.00 0.00 31.44 29.56 3aff n GLU 352 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3aff s ALA 353 N -2.03 3.58 0.55 0.62 0.00 -0.63 -4.95 121.76 118.89 3aff s ALA 353 Ca 0.34 -0.63 0.25 0.00 0.00 0.00 0.00 51.96 51.92 3aff s ALA 353 Cb 0.21 -2.92 1.45 0.00 0.00 0.00 0.00 23.12 21.86 3aff s ALA 353 CO 0.34 -0.80 2.04 -1.35 0.00 0.00 0.00 175.76 175.98 3aff h PRO 354 N 8.05 0.00 -0.01 0.00 0.11 -1.90 -2.91 132.00 135.34 3aff h PRO 354 Ca -0.29 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.64 3aff h PRO 354 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3aff h PRO 354 CO 0.73 0.00 -0.82 0.97 -0.21 0.00 0.00 178.00 178.67 3aff h ILE 355 N 0.00 1.46 0.00 4.15 6.09 -1.89 -2.44 117.51 124.88 3aff h ILE 355 Ca 0.17 -2.47 -0.02 0.00 -1.37 0.00 0.00 64.86 61.18 3aff h ILE 355 Cb 0.76 2.36 -0.00 0.00 0.47 0.00 0.00 36.82 40.40 3aff h ILE 355 CO -0.00 0.72 -0.10 0.06 -3.07 0.00 0.00 178.15 175.76 3aff h GLN 356 N 0.13 0.00 0.01 2.19 -0.00 -1.64 -1.73 115.11 114.07 3aff h GLN 356 Ca -0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.54 3aff h GLN 356 Cb 1.42 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.91 3aff h GLN 356 CO 0.13 0.10 -0.29 -0.09 -0.00 0.00 0.00 178.83 178.68 3aff h ARG 357 N 0.00 0.17 -0.91 0.06 2.43 -1.55 0.56 114.38 115.15 3aff h ARG 357 Ca -0.00 -0.20 0.05 0.00 -0.81 0.00 0.00 59.98 59.02 3aff h ARG 357 Cb 0.21 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 3aff h ARG 357 CO 0.01 0.96 0.58 0.74 -1.51 0.00 0.00 179.97 180.75 3aff h PHE 358 N -0.53 1.07 -0.20 2.20 0.04 -1.46 0.04 116.94 118.10 3aff h PHE 358 Ca -0.04 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.78 3aff h PHE 358 Cb 1.07 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.85 3aff h PHE 358 CO 0.19 0.57 0.06 2.35 -0.60 0.00 0.00 178.31 180.89 3aff h TRP 359 N 1.08 0.11 -0.29 -0.55 7.01 -1.24 0.93 115.95 122.99 3aff h TRP 359 Ca 0.38 0.01 -0.13 0.00 2.11 0.00 0.00 58.89 61.26 3aff h TRP 359 Cb 0.11 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 3aff h TRP 359 CO -0.02 0.05 -0.37 0.00 -2.79 0.00 0.00 178.44 175.31 3aff h ARG 360 N 0.15 0.67 -0.23 2.65 3.08 -0.55 -1.86 114.38 118.29 3aff h ARG 360 Ca 0.09 -0.33 -0.17 0.00 0.07 0.00 0.00 59.98 59.63 3aff h ARG 360 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3aff h ARG 360 CO -0.10 0.93 -0.53 -0.44 -1.07 0.00 0.00 179.97 178.76 3aff h ASP 361 N 0.56 0.86 -0.40 7.04 3.32 -0.90 -0.66 116.42 126.25 3aff h ASP 361 Ca 0.05 -0.56 -0.05 0.00 0.02 0.00 0.00 57.03 56.49 3aff h ASP 361 Cb 0.89 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 3aff h ASP 361 CO 0.08 1.27 0.04 0.00 -1.72 0.00 0.00 179.24 178.90 3aff h ALA 362 N 0.62 0.54 -0.43 3.45 0.00 -0.75 -1.28 119.26 121.41 3aff h ALA 362 Ca -0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 3aff h ALA 362 Cb 1.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3aff h ALA 362 CO 0.12 0.28 -0.13 0.45 0.00 0.00 0.00 179.25 179.97 3aff h HIS 363 N 0.52 0.88 -0.58 0.00 3.86 -1.17 -2.11 115.15 116.56 3aff h HIS 363 Ca 0.12 -0.17 0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3aff h HIS 363 Cb 0.42 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 3aff h HIS 363 CO 0.03 0.87 0.38 0.00 0.86 0.00 0.00 177.93 180.08 3aff h ALA 364 N 1.14 0.73 -0.23 2.45 0.00 -1.00 -1.05 119.26 121.31 3aff h ALA 364 Ca 0.12 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3aff h ALA 364 Cb 0.62 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3aff h ALA 364 CO 0.04 0.17 -0.06 0.78 0.00 0.00 0.00 179.25 180.18 3aff h GLY 365 N 0.78 0.16 0.60 0.00 0.00 -1.02 -2.21 103.07 101.38 3aff h GLY 365 Ca 0.21 0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.71 3aff h GLY 365 CO -0.05 -0.09 0.50 -0.09 0.00 0.00 0.00 176.54 176.81 3aff h ARG 366 N -0.01 0.85 -0.80 4.80 9.65 -1.07 -1.07 114.38 126.73 3aff h ARG 366 Ca 0.11 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.95 3aff h ARG 366 Cb 0.18 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 3aff h ARG 366 CO -0.24 0.56 0.53 -0.39 2.80 0.00 0.00 179.97 183.22 3aff h VAL 367 N 0.87 1.21 0.22 0.20 -1.51 -0.83 0.21 116.25 116.62 3aff h VAL 367 Ca 0.39 -0.37 -0.00 0.00 -1.23 0.00 0.00 66.70 65.49 3aff h VAL 367 Cb 0.29 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.47 3aff h VAL 367 CO -0.22 0.20 -0.18 -0.74 -1.23 0.00 0.00 177.57 175.40 3aff h HIS 368 N 1.08 -0.47 -0.80 5.19 -0.00 -0.80 -1.32 115.15 118.03 3aff h HIS 368 Ca 0.29 -0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.76 3aff h HIS 368 Cb -0.12 0.18 -0.07 0.00 -0.00 0.00 0.00 27.41 27.39 3aff h HIS 368 CO -0.02 -0.27 0.45 0.00 -0.00 0.00 0.00 177.93 178.09 3aff h ALA 369 N 0.33 1.14 0.00 5.26 0.00 -1.06 -1.73 119.26 123.19 3aff h ALA 369 Ca -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3aff h ALA 369 Cb 0.37 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3aff h ALA 369 CO -0.02 0.07 -0.12 0.00 0.00 0.00 0.00 179.25 179.19 3aff h ALA 370 N 1.45 0.99 -0.40 0.00 0.00 -0.38 -2.84 119.26 118.08 3aff h ALA 370 Ca 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3aff h ALA 370 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3aff h ALA 370 CO -0.25 0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.23 3aff n ASN 371 N -3.22 3.49 -4.68 0.00 4.13 -0.51 -4.94 115.26 109.53 3aff n ASN 371 Ca 0.01 -2.39 -0.42 0.00 1.68 0.00 0.00 54.58 53.46 3aff n ASN 371 Cb 0.41 -0.51 -0.03 0.00 -1.54 0.00 0.00 39.78 38.11 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 -0.67 7.19 0.64 6.41 -1.08 -1.08 -4.92 116.67 123.17 3aff s ASP 372 Ca 0.33 1.47 0.41 0.00 -0.52 0.00 0.00 52.55 54.24 3aff s ASP 372 Cb 0.23 -2.54 2.19 0.00 -1.46 0.00 0.00 42.92 41.34 3aff s ASP 372 CO 0.14 -0.47 2.30 1.55 0.52 0.00 0.00 175.17 179.22 3aff h PRO 373 N 7.17 0.00 0.00 4.34 0.13 -1.92 -2.82 132.00 138.90 3aff h PRO 373 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3aff h PRO 373 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3aff h PRO 373 CO 0.87 0.01 0.00 0.93 -0.23 0.00 0.00 178.00 179.58 3aff h GLU 374 N 0.00 0.00 -0.05 0.86 5.08 -1.98 0.28 114.58 118.77 3aff h GLU 374 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3aff h GLU 374 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3aff h GLU 374 CO 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 179.01 178.06 3aff h ARG 375 N 0.00 0.00 0.07 2.33 3.08 -1.88 -2.59 114.38 115.39 3aff h ARG 375 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 3aff h ARG 375 Cb 0.31 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 3aff h ARG 375 CO 0.00 0.00 -1.99 0.00 -1.07 0.00 0.00 179.97 176.91 3aff n ALA 376 N -2.40 1.17 -0.19 0.04 0.00 0.91 -4.29 120.51 115.75 3aff n ALA 376 Ca -0.02 -0.75 0.14 0.00 0.00 0.00 0.00 53.44 52.82 3aff n ALA 376 Cb 0.14 -0.63 0.47 0.00 0.00 0.00 0.00 19.45 19.43 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 0.04 0.57 -0.23 0.00 0.05 -0.96 -1.11 116.97 115.33 3aff h TYR 377 Ca -0.41 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.45 3aff h TYR 377 Cb 2.03 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 39.58 3aff h TYR 377 CO 0.04 0.22 0.19 -0.24 -1.05 0.00 0.00 178.16 177.32 3aff h VAL 378 N 0.49 0.69 0.05 -2.88 3.04 -1.70 -2.44 116.25 113.50 3aff h VAL 378 Ca 0.39 0.00 -0.23 0.00 -1.01 0.00 0.00 66.70 65.85 3aff h VAL 378 Cb 0.81 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 3aff h VAL 378 CO -0.14 0.00 -1.08 0.40 -1.01 0.00 0.00 177.57 175.74 3aff h ILE 379 N 0.00 1.61 -2.50 3.17 2.04 -1.44 -3.34 117.51 117.05 3aff h ILE 379 Ca 0.11 -3.20 -0.53 0.00 1.00 0.00 0.00 64.86 62.24 3aff h ILE 379 Cb 0.49 2.85 0.03 0.00 -0.74 0.00 0.00 36.82 39.45 3aff h ILE 379 CO -0.00 0.92 1.14 -0.36 0.00 0.00 0.00 178.15 179.85 3aff s PHE 380 N -2.74 1.88 -0.50 1.37 0.08 -0.92 -4.86 117.98 112.30 3aff s PHE 380 Ca -0.01 -0.12 0.05 0.00 0.12 0.00 0.00 56.93 56.97 3aff s PHE 380 Cb 0.09 -4.16 0.13 0.00 -0.57 0.00 0.00 43.02 38.51 3aff s PHE 380 CO 0.85 -4.93 1.05 0.41 -0.10 0.00 0.00 175.22 172.50 3aff n GLY 381 N 4.30 2.23 1.55 4.36 0.00 -1.26 0.15 105.19 116.53 3aff n GLY 381 Ca 0.18 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.05 1.58 -2.52 1.61 4.13 -1.26 -4.86 115.26 113.99 3aff n ASN 382 Ca 0.05 -2.61 -0.21 0.00 1.68 0.00 0.00 54.58 53.50 3aff n ASN 382 Cb 0.30 -0.39 -0.00 0.00 -1.54 0.00 0.00 39.78 38.15 3aff n ASN 382 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3aff n HIS 383 N -0.17 -1.20 -1.65 3.10 8.25 -1.26 -4.90 115.22 117.39 3aff n HIS 383 Ca 0.12 0.10 -0.47 0.00 -0.26 0.00 0.00 57.72 57.21 3aff n HIS 383 Cb 0.97 -4.08 -0.04 0.00 1.12 0.00 0.00 29.99 27.95 3aff n HIS 383 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3aff n GLU 384 N -3.21 1.97 -1.84 -0.41 4.71 -1.26 -1.97 120.64 118.63 3aff n GLU 384 Ca -0.22 0.71 -0.19 0.00 -0.01 0.00 0.00 57.16 57.45 3aff n GLU 384 Cb 0.68 -2.46 -0.06 0.00 -1.01 0.00 0.00 31.44 28.59 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 3.24 -0.45 -0.64 -0.32 3.72 -1.26 -1.64 117.46 120.10 3aff n PHE 385 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 3aff n PHE 385 Cb 0.27 -3.37 0.00 0.00 -0.94 0.00 0.00 39.48 35.44 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 -0.56 1.04 3.77 1.37 0.00 -0.83 -4.54 105.19 105.45 3aff n GLY 386 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 3.31 0.84 0.99 1.43 -0.65 -2.96 118.68 121.63 3aff s LEU 387 Ca 0.00 1.95 -0.12 0.00 -1.03 0.00 0.00 54.13 54.92 3aff s LEU 387 Cb 0.00 -4.54 0.10 0.00 0.03 0.00 0.00 46.19 41.77 3aff s LEU 387 CO 0.00 -1.70 1.18 -2.16 0.23 0.00 0.00 176.35 173.90 3aff s PRO 388 N -4.29 1.75 0.27 1.29 0.04 -1.26 -4.10 135.00 128.70 3aff s PRO 388 Ca 0.65 0.12 -0.31 0.00 0.04 0.00 0.00 61.00 61.51 3aff s PRO 388 Cb -0.19 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.29 3aff s PRO 388 CO 0.45 -1.74 1.48 -2.30 0.04 0.00 0.00 177.00 174.92 3aff n PRO 389 N -3.42 2.31 -0.02 0.56 -0.02 -1.26 -4.72 135.00 128.42 3aff n PRO 389 Ca 0.08 0.82 0.12 0.00 -2.02 0.00 0.00 63.50 62.51 3aff n PRO 389 Cb 0.61 -2.53 0.54 0.00 -0.02 0.00 0.00 33.50 32.10 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 4.36 0.41 2.00 -1.23 0.00 -0.48 -0.54 103.07 107.60 3aff h GLY 390 Ca -0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3aff h GLY 390 CO 0.76 0.08 -0.05 -0.55 0.00 0.00 0.00 176.54 176.78 3aff h ASP 391 N 0.30 0.00 1.13 0.19 3.32 -1.81 -1.94 116.42 117.61 3aff h ASP 391 Ca 0.23 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 3aff h ASP 391 Cb 0.52 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 3aff h ASP 391 CO -0.05 0.05 -0.09 0.71 -1.72 0.00 0.00 179.24 178.14 3aff h THR 392 N 0.00 0.22 0.00 0.35 1.35 -1.44 -3.11 112.91 110.28 3aff h THR 392 Ca -0.00 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3aff h THR 392 Cb 0.10 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3aff h THR 392 CO 0.01 0.09 -0.44 0.24 -0.25 0.00 0.00 175.52 175.17 3aff h MET 393 N 0.00 0.00 0.00 4.72 2.86 -1.44 -3.45 114.93 117.63 3aff h MET 393 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3aff h MET 393 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3aff h MET 393 CO 0.01 0.00 0.00 0.28 1.06 0.00 0.00 176.91 178.26