#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3afe n ASP 8 N 0.00 0.90 -0.10 6.15 5.68 -1.26 -5.04 116.55 122.88 3afe n ASP 8 Ca 0.00 -2.49 -0.02 0.00 -0.50 0.00 0.00 54.79 51.78 3afe n ASP 8 Cb 0.00 0.77 0.22 0.00 -1.14 0.00 0.00 41.12 40.98 3afe n ASP 8 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3afe h ALA 9 N 1.50 1.27 -0.33 2.12 0.00 -1.98 -1.66 119.26 120.19 3afe h ALA 9 Ca -0.21 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 3afe h ALA 9 Cb 0.83 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3afe h ALA 9 CO 0.33 0.51 -0.47 1.96 0.00 0.00 0.00 179.25 181.57 3afe h GLN 10 N 0.73 0.88 -0.52 0.00 7.50 -1.99 -2.39 115.11 119.31 3afe h GLN 10 Ca 0.16 -0.51 0.09 0.00 0.50 0.00 0.00 58.65 58.88 3afe h GLN 10 Cb 0.28 0.04 -0.07 0.00 0.05 0.00 0.00 27.48 27.78 3afe h GLN 10 CO -0.00 1.16 0.13 1.03 -1.50 0.00 0.00 178.83 179.65 3afe h SER 11 N 0.70 0.06 -0.53 1.46 0.87 -1.83 -0.68 113.55 113.60 3afe h SER 11 Ca 0.04 0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3afe h SER 11 Cb 1.07 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 3afe h SER 11 CO 0.11 0.06 0.12 0.58 -0.53 0.00 0.00 176.83 177.17 3afe h VAL 12 N 0.28 1.24 0.55 2.23 2.07 -1.15 -1.41 116.25 120.06 3afe h VAL 12 Ca 0.26 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 3afe h VAL 12 Cb 0.34 0.67 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3afe h VAL 12 CO -0.32 0.33 -0.26 0.25 0.02 0.00 0.00 177.57 177.59 3afe h LEU 13 N 0.87 -0.62 -0.65 2.57 5.85 -0.89 -1.02 115.31 121.41 3afe h LEU 13 Ca 0.18 -0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.99 3afe h LEU 13 Cb 0.35 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.41 3afe h LEU 13 CO 0.00 -0.31 -0.25 0.00 -0.34 0.00 0.00 178.44 177.53 3afe h ALA 14 N -0.60 0.22 -0.26 1.25 0.00 -0.98 0.07 119.26 118.95 3afe h ALA 14 Ca -0.08 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3afe h ALA 14 Cb 0.63 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3afe h ALA 14 CO 0.12 -0.54 0.17 0.00 0.00 0.00 0.00 179.25 179.01 3afe h ALA 15 N 1.37 1.87 -0.37 0.00 0.00 -1.10 -2.07 119.26 118.95 3afe h ALA 15 Ca 0.29 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 3afe h ALA 15 Cb 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3afe h ALA 15 CO -0.71 0.10 -0.22 0.82 0.00 0.00 0.00 179.25 179.25 3afe h ILE 16 N 0.30 1.27 -0.86 0.00 2.04 0.38 -2.81 117.51 117.83 3afe h ILE 16 Ca 0.10 -1.31 0.16 0.00 1.00 0.00 0.00 64.86 64.81 3afe h ILE 16 Cb 0.04 1.22 -0.10 0.00 -0.74 0.00 0.00 36.82 37.23 3afe h ILE 16 CO -0.02 0.44 0.43 0.44 0.00 0.00 0.00 178.15 179.44 3afe h ASP 17 N 0.64 0.50 0.25 1.72 3.32 -0.81 0.47 116.42 122.51 3afe h ASP 17 Ca 0.09 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3afe h ASP 17 Cb 0.71 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3afe h ASP 17 CO 0.05 0.18 0.00 0.59 -1.72 0.00 0.00 179.24 178.34 3afe n ASN 18 N -4.90 0.00 0.08 6.45 5.03 -1.07 -2.59 115.26 118.25 3afe n ASN 18 Ca 0.18 -0.63 0.09 0.00 0.87 0.00 0.00 54.58 55.10 3afe n ASN 18 Cb 0.49 -0.12 -0.04 0.00 -1.02 0.00 0.00 39.78 39.08 3afe n ASN 18 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3afe n LEU 19 N -1.12 0.73 0.03 3.41 4.77 0.13 -4.59 117.00 120.35 3afe n LEU 19 Ca 0.20 0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 56.35 3afe n LEU 19 Cb 0.17 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3afe n LEU 19 CO 0.20 -0.10 0.63 -0.07 -1.33 0.00 0.00 177.39 176.72 3afe h LEU 20 N 0.00 -1.06 -0.90 2.23 3.38 -1.23 -2.57 115.31 115.15 3afe h LEU 20 Ca -0.03 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.19 3afe h LEU 20 Cb 1.11 0.44 -0.08 0.00 0.09 0.00 0.00 40.66 42.22 3afe h LEU 20 CO 0.01 -0.39 0.53 -0.65 0.09 0.00 0.00 178.44 178.03 3afe h PRO 21 N -0.46 0.84 -0.52 1.13 0.11 -1.81 0.24 132.00 131.54 3afe h PRO 21 Ca 0.08 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 3afe h PRO 21 Cb 0.58 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 3afe h PRO 21 CO -0.33 0.56 0.29 0.93 -0.21 0.00 0.00 178.00 179.24 3afe h GLU 22 N 0.87 0.73 -0.42 1.05 5.08 -1.80 -0.94 114.58 119.15 3afe h GLU 22 Ca 0.44 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.57 3afe h GLU 22 Cb 0.42 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3afe h GLU 22 CO -0.26 0.56 -0.33 0.82 -1.00 0.00 0.00 179.01 178.81 3afe h ILE 23 N 0.70 1.27 -0.04 3.13 2.04 -0.87 0.13 117.51 123.87 3afe h ILE 23 Ca 0.18 -1.50 0.04 0.00 1.00 0.00 0.00 64.86 64.58 3afe h ILE 23 Cb 0.05 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 3afe h ILE 23 CO -0.03 0.51 -0.27 -0.09 0.00 0.00 0.00 178.15 178.27 3afe h ARG 24 N 0.79 -0.38 -0.75 2.37 2.43 -0.44 -2.24 114.38 116.17 3afe h ARG 24 Ca 0.08 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 3afe h ARG 24 Cb 0.91 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.50 3afe h ARG 24 CO 0.09 -0.25 0.49 -0.44 -1.51 0.00 0.00 179.97 178.35 3afe h ASP 25 N -0.39 0.72 0.84 -3.80 3.45 -0.61 -0.09 116.42 116.55 3afe h ASP 25 Ca 0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.53 3afe h ASP 25 Cb 0.49 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 3afe h ASP 25 CO -0.26 0.48 0.00 -1.14 -1.57 0.00 0.00 179.24 176.75 3afe n ARG 26 N -4.47 0.11 -0.27 3.56 0.63 -0.02 -4.37 116.66 111.83 3afe n ARG 26 Ca 0.11 0.25 -0.00 0.00 -0.92 0.00 0.00 57.85 57.29 3afe n ARG 26 Cb 0.19 -1.68 0.06 0.00 0.45 0.00 0.00 32.46 31.49 3afe n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3afe h ALA 27 N 2.52 0.30 -0.42 5.13 0.00 -0.42 0.13 119.26 126.49 3afe h ALA 27 Ca 0.00 0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3afe h ALA 27 Cb 0.42 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3afe h ALA 27 CO 0.00 -0.52 -0.00 0.37 0.00 0.00 0.00 179.25 179.10 3afe h GLN 28 N -0.05 0.75 -0.30 0.00 5.75 -1.81 -2.24 115.11 117.20 3afe h GLN 28 Ca 0.33 -0.24 0.05 0.00 -0.15 0.00 0.00 58.65 58.65 3afe h GLN 28 Cb 0.58 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.01 3afe h GLN 28 CO -0.81 0.82 -0.02 0.00 -2.65 0.00 0.00 178.83 176.18 3afe h ALA 29 N 0.90 0.26 -0.48 3.38 0.00 -1.11 -1.81 119.26 120.39 3afe h ALA 29 Ca 0.12 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.21 3afe h ALA 29 Cb 0.49 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 3afe h ALA 29 CO 0.02 -0.42 -0.37 1.15 0.00 0.00 0.00 179.25 179.64 3afe h THR 30 N 0.07 0.17 -0.42 0.00 2.02 -0.82 -0.31 112.91 113.61 3afe h THR 30 Ca 0.15 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.41 3afe h THR 30 Cb 0.20 0.17 -0.08 0.00 -1.74 0.00 0.00 68.15 66.70 3afe h THR 30 CO -0.26 0.00 -0.08 -0.33 0.37 0.00 0.00 175.52 175.22 3afe h GLU 31 N -0.24 0.03 -0.61 6.66 5.08 -0.94 -2.63 114.58 121.93 3afe h GLU 31 Ca 0.18 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 3afe h GLU 31 Cb 0.56 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3afe h GLU 31 CO -0.60 0.02 0.09 -0.44 -1.00 0.00 0.00 179.01 177.07 3afe h ASP 32 N 0.03 0.94 -0.56 1.42 3.32 -0.46 -1.64 116.42 119.45 3afe h ASP 32 Ca 0.20 -0.21 0.11 0.00 0.02 0.00 0.00 57.03 57.15 3afe h ASP 32 Cb 0.31 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3afe h ASP 32 CO -0.41 0.94 0.38 -0.07 -1.72 0.00 0.00 179.24 178.36 3afe h LEU 33 N 0.93 0.26 1.89 1.55 3.38 -0.74 -3.46 115.31 119.13 3afe h LEU 33 Ca 0.19 0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.86 3afe h LEU 33 Cb 0.41 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3afe h LEU 33 CO 0.01 0.15 -0.37 0.54 0.09 0.00 0.00 178.44 178.86 3afe n ARG 34 N -4.45 -1.19 -3.62 1.13 1.74 -0.62 -4.97 116.66 104.68 3afe n ARG 34 Ca 0.10 0.80 -0.02 0.00 -0.77 0.00 0.00 57.85 57.96 3afe n ARG 34 Cb 0.43 -5.11 -0.01 0.00 -1.02 0.00 0.00 32.46 26.75 3afe n ARG 34 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3afe s ARG 35 N -4.47 0.45 0.32 5.56 1.70 -1.19 -3.10 118.95 118.21 3afe s ARG 35 Ca 0.00 -0.22 -0.28 0.00 -0.47 0.00 0.00 55.73 54.76 3afe s ARG 35 Cb 0.00 0.17 -0.09 0.00 -0.57 0.00 0.00 34.95 34.46 3afe s ARG 35 CO 0.00 -0.20 1.16 -0.51 -1.08 0.00 0.00 175.30 174.67 3afe s LEU 36 N -2.65 4.43 0.28 -1.89 1.02 -0.78 -4.82 118.68 114.27 3afe s LEU 36 Ca 0.12 2.38 -0.29 0.00 0.02 0.00 0.00 54.13 56.35 3afe s LEU 36 Cb 0.02 -3.74 -0.10 0.00 0.02 0.00 0.00 46.19 42.39 3afe s LEU 36 CO -0.04 -0.37 1.28 -2.84 0.02 0.00 0.00 176.35 174.40 3afe s PRO 37 N -1.77 4.41 0.45 1.29 0.02 -1.26 -4.88 135.00 133.26 3afe s PRO 37 Ca 0.49 2.10 0.24 0.00 0.02 0.00 0.00 61.00 63.85 3afe s PRO 37 Cb -0.33 -3.13 1.25 0.00 0.02 0.00 0.00 34.50 32.31 3afe s PRO 37 CO 0.43 -0.14 1.80 -0.44 -0.33 0.00 0.00 177.00 178.32 3afe h ASP 38 N 4.06 0.29 -0.60 2.53 5.19 -1.99 0.87 116.42 126.77 3afe h ASP 38 Ca -0.47 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 55.97 3afe h ASP 38 Cb 1.22 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.71 3afe h ASP 38 CO 0.69 0.06 0.30 -0.08 -3.12 0.00 0.00 179.24 177.09 3afe h GLU 39 N 0.26 0.86 0.21 3.56 4.81 -1.99 0.13 114.58 122.41 3afe h GLU 39 Ca 0.56 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 3afe h GLU 39 Cb 1.67 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.90 3afe h GLU 39 CO -0.18 0.68 -0.10 1.15 -0.73 0.00 0.00 179.01 179.83 3afe h THR 40 N 0.81 0.88 -0.44 0.32 2.02 -1.21 -2.36 112.91 112.93 3afe h THR 40 Ca 0.21 -0.61 0.06 0.00 0.77 0.00 0.00 66.41 66.84 3afe h THR 40 Cb 0.10 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 3afe h THR 40 CO -0.03 0.13 0.13 0.58 0.37 0.00 0.00 175.52 176.70 3afe h VAL 41 N -0.60 0.82 -0.69 3.16 2.07 -1.30 0.35 116.25 120.07 3afe h VAL 41 Ca -0.03 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.48 3afe h VAL 41 Cb 0.44 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 3afe h VAL 41 CO 0.05 0.05 0.34 0.50 0.02 0.00 0.00 177.57 178.53 3afe h LYS 42 N 0.28 0.57 -0.16 1.57 3.64 -0.79 -1.47 116.57 120.21 3afe h LYS 42 Ca 0.21 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.39 3afe h LYS 42 Cb 0.23 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3afe h LYS 42 CO -0.24 0.38 -0.59 0.00 -2.27 0.00 0.00 179.45 176.73 3afe h ALA 43 N 1.42 0.67 -0.47 5.00 0.00 -0.50 -1.49 119.26 123.90 3afe h ALA 43 Ca 0.34 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3afe h ALA 43 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3afe h ALA 43 CO -0.26 0.70 0.23 -0.07 0.00 0.00 0.00 179.25 179.85 3afe h LEU 44 N 0.40 0.61 -0.18 0.00 3.38 -0.81 -1.75 115.31 116.95 3afe h LEU 44 Ca -0.00 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3afe h LEU 44 Cb 1.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3afe h LEU 44 CO 0.11 0.56 0.07 -0.78 0.09 0.00 0.00 178.44 178.49 3afe h ASP 45 N 0.61 0.10 -0.48 -0.43 3.58 -1.12 0.03 116.42 118.71 3afe h ASP 45 Ca 0.16 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.56 3afe h ASP 45 Cb 0.11 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 3afe h ASP 45 CO -0.02 0.08 0.08 0.44 -2.88 0.00 0.00 179.24 176.95 3afe h ASP 46 N 0.17 0.80 0.82 2.28 5.19 -1.13 -1.39 116.42 123.17 3afe h ASP 46 Ca 0.08 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 3afe h ASP 46 Cb 0.03 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.33 3afe h ASP 46 CO -0.07 0.82 0.00 1.33 -3.12 0.00 0.00 179.24 178.20 3afe n VAL 47 N -4.25 0.46 -0.39 -1.35 0.24 -0.67 -4.90 118.33 107.47 3afe n VAL 47 Ca 0.04 0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 3afe n VAL 47 Cb 0.26 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 3afe n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3afe n GLY 48 N 0.83 0.77 0.17 7.63 0.00 -0.52 -4.63 105.19 109.44 3afe n GLY 48 Ca 0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 3afe n GLY 48 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3afe h PHE 49 N 0.00 0.20 0.00 1.61 3.57 -1.18 -2.58 116.94 118.57 3afe h PHE 49 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3afe h PHE 49 Cb 0.00 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.71 3afe h PHE 49 CO 0.00 0.06 0.00 0.74 -2.23 0.00 0.00 178.31 176.88 3afe h PHE 50 N 0.26 0.00 0.00 0.41 0.04 -1.86 -2.39 116.94 113.41 3afe h PHE 50 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 3afe h PHE 50 Cb 0.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.36 3afe h PHE 50 CO -0.17 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 177.79 3afe n THR 51 N -3.02 0.22 -0.11 -1.55 -2.24 -0.97 -4.28 114.28 102.33 3afe n THR 51 Ca 0.00 0.06 -0.05 0.00 -2.27 0.00 0.00 64.05 61.78 3afe n THR 51 Cb 0.27 -0.62 0.02 0.00 -2.10 0.00 0.00 70.33 67.89 3afe n THR 51 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3afe h LEU 52 N 0.00 -0.14 -2.43 3.22 3.38 -1.48 0.25 115.31 118.10 3afe h LEU 52 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3afe h LEU 52 Cb 0.35 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3afe h LEU 52 CO 0.00 -0.04 0.00 0.18 0.09 0.00 0.00 178.44 178.67 3afe n LEU 53 N -5.18 3.26 -4.75 1.67 4.77 -1.26 -0.38 117.00 115.12 3afe n LEU 53 Ca 0.02 -1.65 -0.40 0.00 -0.03 0.00 0.00 56.01 53.95 3afe n LEU 53 Cb 0.19 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 3afe n LEU 53 CO 0.21 0.74 0.65 -1.58 -1.33 0.00 0.00 177.39 176.08 3afe s GLN 54 N -1.22 4.84 0.66 3.23 0.74 -0.89 -4.00 119.66 123.03 3afe s GLN 54 Ca 0.34 1.48 -0.17 0.00 0.05 0.00 0.00 55.36 57.06 3afe s GLN 54 Cb 0.19 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 31.05 3afe s GLN 54 CO 0.26 0.51 1.21 -2.14 -0.55 0.00 0.00 175.29 174.58 3afe s PRO 55 N -1.23 2.57 0.43 1.67 0.02 -1.26 -0.51 135.00 136.68 3afe s PRO 55 Ca 0.41 1.80 0.13 0.00 0.02 0.00 0.00 61.00 63.36 3afe s PRO 55 Cb -0.26 -1.88 0.95 0.00 0.02 0.00 0.00 34.50 33.34 3afe s PRO 55 CO 0.31 -1.52 1.98 -0.56 -0.33 0.00 0.00 177.00 176.89 3afe h GLN 56 N 0.30 0.07 -0.41 5.54 -0.00 -1.91 -1.10 115.11 117.60 3afe h GLN 56 Ca -0.49 -0.01 0.12 0.00 -0.00 0.00 0.00 58.65 58.26 3afe h GLN 56 Cb 1.30 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 28.75 3afe h GLN 56 CO 0.53 0.23 0.38 -0.56 -0.00 0.00 0.00 178.83 179.40 3afe h GLN 57 N 0.07 0.00 -0.62 0.06 3.07 -1.91 0.33 115.11 116.12 3afe h GLN 57 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 3afe h GLN 57 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.87 3afe h GLN 57 CO 0.02 0.00 0.00 0.91 0.09 0.00 0.00 178.83 179.85 3afe n TRP 58 N -3.94 1.09 -0.50 0.06 7.02 -0.78 -4.92 117.44 115.47 3afe n TRP 58 Ca 0.07 -0.56 0.00 0.00 -1.02 0.00 0.00 57.50 55.99 3afe n TRP 58 Cb 0.56 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 29.34 3afe n TRP 58 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3afe n GLY 59 N 1.15 0.75 3.88 6.99 0.00 0.12 -4.84 105.19 113.25 3afe n GLY 59 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 3afe n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3afe s GLY 60 N -1.60 1.74 0.00 -0.02 0.00 -0.49 -4.92 107.32 102.04 3afe s GLY 60 Ca 0.00 -1.13 0.19 0.00 0.00 0.00 0.00 44.72 43.78 3afe s GLY 60 CO 0.00 -0.36 0.93 1.04 0.00 0.00 0.00 173.10 174.71 3afe n LEU 61 N -3.88 1.62 -3.66 0.66 4.77 0.82 -3.66 117.00 113.67 3afe n LEU 61 Ca 0.14 -0.70 -0.21 0.00 -0.03 0.00 0.00 56.01 55.21 3afe n LEU 61 Cb 0.59 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 3afe n LEU 61 CO 0.46 0.32 -0.29 0.00 -1.33 0.00 0.00 177.39 176.55 3afe n GLN 62 N -0.38 -0.95 -1.39 3.23 10.64 0.33 -4.81 117.38 124.06 3afe n GLN 62 Ca 0.07 0.06 -0.29 0.00 -1.83 0.00 0.00 57.00 55.01 3afe n GLN 62 Cb 0.38 -2.40 0.16 0.00 -0.86 0.00 0.00 30.24 27.51 3afe n GLN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3afe s ASP 64 N -3.83 6.02 0.56 0.00 -1.08 -1.26 -4.80 116.67 112.28 3afe s ASP 64 Ca 0.65 2.31 0.29 0.00 -0.52 0.00 0.00 52.55 55.28 3afe s ASP 64 Cb -0.16 -2.52 1.66 0.00 -1.46 0.00 0.00 42.92 40.44 3afe s ASP 64 CO 0.55 -1.45 2.17 1.55 0.52 0.00 0.00 175.17 178.51 3afe h PRO 65 N 12.50 0.00 -0.83 4.34 0.13 -1.94 -0.38 132.00 145.82 3afe h PRO 65 Ca -0.45 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.70 3afe h PRO 65 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 3afe h PRO 65 CO 0.95 0.06 0.55 0.00 -0.23 0.00 0.00 178.00 179.33 3afe h ALA 66 N 1.94 1.45 -0.45 -0.56 0.00 -1.90 -0.99 119.26 118.76 3afe h ALA 66 Ca -0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3afe h ALA 66 Cb 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3afe h ALA 66 CO 0.01 0.48 -0.10 -0.07 0.00 0.00 0.00 179.25 179.57 3afe h LEU 67 N 1.07 0.79 -0.11 0.00 3.38 -1.45 -0.65 115.31 118.33 3afe h LEU 67 Ca 0.32 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3afe h LEU 67 Cb -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3afe h LEU 67 CO -0.08 0.91 0.05 0.15 0.09 0.00 0.00 178.44 179.56 3afe h PHE 68 N 0.73 0.09 -0.16 1.13 3.57 -1.35 -2.55 116.94 118.39 3afe h PHE 68 Ca 0.12 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 3afe h PHE 68 Cb 0.58 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 3afe h PHE 68 CO 0.03 0.05 -0.40 0.74 -2.23 0.00 0.00 178.31 176.50 3afe h PHE 69 N 0.11 0.44 -0.95 0.41 0.04 -0.99 -2.11 116.94 113.89 3afe h PHE 69 Ca 0.05 -0.12 0.12 0.00 2.80 0.00 0.00 57.97 60.82 3afe h PHE 69 Cb 0.02 -0.10 -0.08 0.00 2.20 0.00 0.00 35.95 37.99 3afe h PHE 69 CO -0.09 0.72 0.61 1.49 -0.60 0.00 0.00 178.31 180.43 3afe h GLU 70 N 0.31 0.87 -0.25 1.51 4.57 -1.03 -1.54 114.58 119.02 3afe h GLU 70 Ca 0.03 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.02 3afe h GLU 70 Cb 0.85 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3afe h GLU 70 CO 0.07 0.58 -0.36 0.00 -1.18 0.00 0.00 179.01 178.11 3afe h ALA 71 N 1.56 0.38 -0.62 2.92 0.00 -0.96 -1.63 119.26 120.91 3afe h ALA 71 Ca 0.46 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3afe h ALA 71 Cb 0.53 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3afe h ALA 71 CO -0.23 0.46 0.27 1.79 0.00 0.00 0.00 179.25 181.54 3afe h THR 72 N 0.41 1.21 -0.06 0.00 1.35 -1.28 -0.25 112.91 114.29 3afe h THR 72 Ca 0.03 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3afe h THR 72 Cb 0.95 0.45 -0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3afe h THR 72 CO 0.08 0.26 0.04 -0.09 -0.25 0.00 0.00 175.52 175.56 3afe h ARG 73 N 0.89 0.07 -0.53 4.72 2.43 -0.98 0.14 114.38 121.12 3afe h ARG 73 Ca 0.21 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3afe h ARG 73 Cb 0.14 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3afe h ARG 73 CO -0.02 0.05 0.30 0.00 -1.51 0.00 0.00 179.97 178.79 3afe h ARG 74 N 0.08 0.58 -0.44 0.20 3.08 -0.81 -0.67 114.38 116.39 3afe h ARG 74 Ca 0.02 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 3afe h ARG 74 Cb -0.01 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3afe h ARG 74 CO -0.01 0.38 0.01 -0.07 -1.07 0.00 0.00 179.97 179.22 3afe h LEU 75 N 0.60 0.76 -1.53 3.04 3.38 -0.79 -2.39 115.31 118.37 3afe h LEU 75 Ca 0.22 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3afe h LEU 75 Cb 0.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3afe h LEU 75 CO -0.12 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.28 3afe h ALA 76 N 0.91 1.00 0.00 1.53 0.00 -0.37 -1.72 119.26 120.61 3afe h ALA 76 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3afe h ALA 76 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3afe h ALA 76 CO 0.02 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 3afe n SER 77 N -2.76 0.00 -0.00 0.00 3.41 -0.29 -3.47 113.62 110.50 3afe n SER 77 Ca 0.00 0.23 -0.00 0.00 -0.26 0.00 0.00 58.87 58.84 3afe n SER 77 Cb 0.21 -0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 63.74 3afe n SER 77 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3afe n VAL 78 N -1.41 0.06 -3.37 -3.33 0.24 -0.81 -4.17 118.33 105.54 3afe n VAL 78 Ca 0.10 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.34 62.25 3afe n VAL 78 Cb 0.29 -0.43 -0.08 0.00 -1.47 0.00 0.00 33.84 32.14 3afe n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3afe h GLY 80 N 8.20 0.31 0.70 0.00 0.00 -1.81 -1.87 103.07 108.60 3afe h GLY 80 Ca -0.18 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.26 3afe h GLY 80 CO 0.28 -0.08 0.37 1.76 0.00 0.00 0.00 176.54 178.86 3afe h SER 81 N 0.08 0.56 -0.42 0.19 0.02 -1.93 0.53 113.55 112.57 3afe h SER 81 Ca 0.16 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 3afe h SER 81 Cb 0.22 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3afe h SER 81 CO -0.28 0.36 -0.01 0.74 -1.14 0.00 0.00 176.83 176.50 3afe h THR 82 N 0.69 1.26 -0.71 -2.27 2.02 -1.78 -0.11 112.91 112.01 3afe h THR 82 Ca 0.29 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 3afe h THR 82 Cb 0.17 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3afe h THR 82 CO -0.17 0.36 0.35 1.23 0.37 0.00 0.00 175.52 177.66 3afe h GLY 83 N 0.59 1.08 0.95 2.16 0.00 -1.08 -1.40 103.07 105.38 3afe h GLY 83 Ca 0.12 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 3afe h GLY 83 CO 0.02 0.50 -0.42 -0.25 0.00 0.00 0.00 176.54 176.39 3afe h TRP 84 N 0.99 -1.10 -0.82 5.60 2.91 -0.44 -2.08 115.95 121.01 3afe h TRP 84 Ca 0.24 -0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.29 3afe h TRP 84 Cb 0.10 0.36 -0.06 0.00 -0.51 0.00 0.00 29.16 29.06 3afe h TRP 84 CO 0.00 -0.68 0.51 0.28 -1.03 0.00 0.00 178.44 177.52 3afe h VAL 85 N -1.25 1.06 0.05 2.65 2.07 -1.06 -2.68 116.25 117.09 3afe h VAL 85 Ca -0.12 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 3afe h VAL 85 Cb 0.91 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3afe h VAL 85 CO 0.20 0.17 -0.03 0.28 0.02 0.00 0.00 177.57 178.22 3afe h SER 86 N 0.95 -0.06 -0.15 0.57 0.02 -1.20 -0.04 113.55 113.63 3afe h SER 86 Ca 0.35 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.29 3afe h SER 86 Cb 0.11 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 3afe h SER 86 CO -0.15 -0.00 -0.05 -1.28 -1.14 0.00 0.00 176.83 174.21 3afe h SER 87 N -0.12 -0.17 -0.48 3.07 0.87 -1.31 -0.10 113.55 115.31 3afe h SER 87 Ca -0.01 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 3afe h SER 87 Cb 0.10 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3afe h SER 87 CO 0.01 -0.06 0.07 0.40 -0.53 0.00 0.00 176.83 176.72 3afe h ILE 88 N -0.01 1.25 0.10 2.23 2.04 -1.24 -1.04 117.51 120.84 3afe h ILE 88 Ca 0.08 -0.93 -0.26 0.00 1.00 0.00 0.00 64.86 64.74 3afe h ILE 88 Cb 0.13 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3afe h ILE 88 CO -0.17 0.33 -1.18 0.58 0.00 0.00 0.00 178.15 177.71 3afe h VAL 89 N 0.67 1.49 -0.73 1.67 2.07 -1.01 -3.07 116.25 117.34 3afe h VAL 89 Ca 0.15 -2.95 0.02 0.00 0.82 0.00 0.00 66.70 64.73 3afe h VAL 89 Cb 0.40 2.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 3afe h VAL 89 CO 0.01 0.86 0.47 1.23 0.02 0.00 0.00 177.57 180.17 3afe h GLY 90 N 1.55 1.05 2.00 2.17 0.00 -0.95 -2.68 103.07 106.20 3afe h GLY 90 Ca -0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 3afe h GLY 90 CO 0.19 0.33 -0.21 -0.24 0.00 0.00 0.00 176.54 176.61 3afe h VAL 91 N 0.94 0.62 -0.05 4.60 3.04 -1.20 -2.43 116.25 121.77 3afe h VAL 91 Ca 0.28 -0.96 -0.02 0.00 -1.01 0.00 0.00 66.70 65.00 3afe h VAL 91 Cb -0.04 1.63 -0.00 0.00 -2.01 0.00 0.00 31.29 30.86 3afe h VAL 91 CO -0.09 0.21 -0.06 0.45 -1.01 0.00 0.00 177.57 177.06 3afe h HIS 92 N 0.00 0.07 0.00 3.17 3.86 -1.38 0.64 115.15 121.51 3afe h HIS 92 Ca -0.00 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3afe h HIS 92 Cb 0.61 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 3afe h HIS 92 CO 0.00 0.14 -0.10 -0.91 0.86 0.00 0.00 177.93 177.92 3afe h ASN 93 N 0.07 0.00 -0.00 2.45 2.35 -1.50 0.23 115.58 119.18 3afe h ASN 93 Ca 0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3afe h ASN 93 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3afe h ASN 93 CO 0.01 0.10 -0.16 -0.25 -1.65 0.00 0.00 177.43 175.48 3afe h TRP 94 N 0.00 0.16 -0.85 1.19 7.01 -1.02 -3.20 115.95 119.25 3afe h TRP 94 Ca -0.00 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 60.89 3afe h TRP 94 Cb 0.41 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.41 3afe h TRP 94 CO 0.00 0.88 0.45 1.25 -2.79 0.00 0.00 178.44 178.23 3afe h HIS 95 N -0.60 1.17 -0.13 2.65 2.76 -0.58 -2.04 115.15 118.39 3afe h HIS 95 Ca -0.02 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.06 3afe h HIS 95 Cb 0.92 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 3afe h HIS 95 CO 0.19 0.82 -0.19 1.25 -1.30 0.00 0.00 177.93 178.69 3afe h LEU 96 N 1.19 0.20 -2.11 0.26 5.85 -0.69 -1.50 115.31 118.50 3afe h LEU 96 Ca 0.30 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 59.05 3afe h LEU 96 Cb 0.05 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3afe h LEU 96 CO -0.05 0.41 0.25 0.00 -0.34 0.00 0.00 178.44 178.72 3afe h ALA 97 N 1.61 2.07 0.00 1.25 0.00 -1.35 -1.51 119.26 121.33 3afe h ALA 97 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3afe h ALA 97 Cb 0.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3afe h ALA 97 CO 0.03 -0.39 -0.56 -0.07 0.00 0.00 0.00 179.25 178.25 3afe h LEU 98 N 0.00 0.00-10.30 0.00 3.38 -1.31 -3.37 115.31 103.71 3afe h LEU 98 Ca 0.13 -0.06 -0.52 0.00 0.09 0.00 0.00 57.88 57.53 3afe h LEU 98 Cb 0.63 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.54 3afe h LEU 98 CO -0.00 0.03 0.28 -0.36 0.09 0.00 0.00 178.44 178.47 3afe s PHE 99 N -3.25 2.18 0.50 1.13 0.08 -0.57 -0.82 117.98 117.22 3afe s PHE 99 Ca 0.04 1.65 -0.20 0.00 0.12 0.00 0.00 56.93 58.55 3afe s PHE 99 Cb 0.10 -3.17 -0.11 0.00 -0.57 0.00 0.00 43.02 39.26 3afe s PHE 99 CO 0.72 -2.23 0.46 -3.47 -0.10 0.00 0.00 175.22 170.61 3afe n ASP 100 N -3.83 -1.25 -0.09 1.36 -0.08 -1.26 -0.97 116.55 110.43 3afe n ASP 100 Ca 0.10 0.80 0.12 0.00 -1.51 0.00 0.00 54.79 54.31 3afe n ASP 100 Cb 0.53 -1.11 0.50 0.00 2.34 0.00 0.00 41.12 43.38 3afe n ASP 100 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3afe h GLN 101 N 0.47 0.40 -0.51 -0.67 5.75 -1.91 -1.62 115.11 117.01 3afe h GLN 101 Ca -0.43 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 57.99 3afe h GLN 101 Cb 1.40 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.84 3afe h GLN 101 CO 0.48 0.26 0.09 -0.09 -2.65 0.00 0.00 178.83 176.93 3afe h ARG 102 N 0.41 0.84 -0.91 1.69 2.43 -1.92 -1.52 114.38 115.40 3afe h ARG 102 Ca 0.29 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3afe h ARG 102 Cb 0.58 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 3afe h ARG 102 CO -0.08 0.82 0.50 0.00 -1.51 0.00 0.00 179.97 179.70 3afe h ALA 103 N 0.98 1.17 -0.88 2.80 0.00 -1.53 -1.01 119.26 120.79 3afe h ALA 103 Ca 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3afe h ALA 103 Cb 0.38 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3afe h ALA 103 CO 0.01 0.67 0.46 1.96 0.00 0.00 0.00 179.25 182.35 3afe h GLN 104 N 1.27 1.24 -0.18 0.00 4.20 -1.18 -2.20 115.11 118.27 3afe h GLN 104 Ca 0.32 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 3afe h GLN 104 Cb 0.02 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3afe h GLN 104 CO -0.05 0.93 0.07 1.49 -0.67 0.00 0.00 178.83 180.59 3afe h GLU 105 N 1.24 0.27 -0.93 1.46 4.57 -0.62 0.18 114.58 120.76 3afe h GLU 105 Ca 0.31 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.50 3afe h GLU 105 Cb 0.06 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.55 3afe h GLU 105 CO -0.05 0.35 0.59 0.93 -1.18 0.00 0.00 179.01 179.65 3afe h GLU 106 N 0.14 1.05 0.05 1.92 5.08 -1.06 1.20 114.58 122.95 3afe h GLU 106 Ca 0.06 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3afe h GLU 106 Cb 0.18 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3afe h GLU 106 CO -0.00 0.69 -0.02 0.28 -1.00 0.00 0.00 179.01 178.96 3afe h VAL 107 N 1.08 1.31 -0.23 3.13 2.07 -1.14 -3.39 116.25 119.07 3afe h VAL 107 Ca 0.40 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3afe h VAL 107 Cb 0.15 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 3afe h VAL 107 CO -0.17 0.37 0.00 0.79 0.02 0.00 0.00 177.57 178.59 3afe n TRP 108 N -4.78 0.30 0.10 1.57 8.01 0.62 -4.60 117.44 118.65 3afe n TRP 108 Ca -0.08 -0.27 -0.12 0.00 -1.31 0.00 0.00 57.50 55.71 3afe n TRP 108 Cb 0.33 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.31 29.56 3afe n TRP 108 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 3afe h GLY 109 N 2.52 -0.49 0.19 6.99 0.00 0.14 -3.22 103.07 109.19 3afe h GLY 109 Ca 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 3afe h GLY 109 CO 0.00 -0.23 -0.07 0.83 0.00 0.00 0.00 176.54 177.08 3afe h GLU 110 N -0.47 -0.18 -4.48 4.80 4.39 -1.84 -3.45 114.58 113.35 3afe h GLU 110 Ca 0.04 0.01 -0.65 0.00 0.34 0.00 0.00 59.36 59.11 3afe h GLU 110 Cb 0.51 0.04 -0.40 0.00 -0.10 0.00 0.00 28.75 28.80 3afe h GLU 110 CO -0.18 0.10 -0.73 0.34 -1.16 0.00 0.00 179.01 177.38 3afe s ASP 111 N -5.46 4.64 0.29 1.42 2.15 -1.23 -4.99 116.67 113.47 3afe s ASP 111 Ca -0.07 -2.07 0.18 0.00 0.43 0.00 0.00 52.55 51.01 3afe s ASP 111 Cb -0.00 -1.49 0.97 0.00 -0.30 0.00 0.00 42.92 42.09 3afe s ASP 111 CO 0.26 -0.39 1.52 -2.65 -0.17 0.00 0.00 175.17 173.75 3afe n PRO 112 N 4.35 0.12 -0.07 4.34 -0.02 -1.22 -1.90 135.00 140.60 3afe n PRO 112 Ca 0.03 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 3afe n PRO 112 Cb 0.42 -1.93 0.23 0.00 -0.02 0.00 0.00 33.50 32.20 3afe n PRO 112 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3afe n SER 113 N -2.13 2.78 -4.55 2.55 3.41 -1.26 -4.96 113.62 109.45 3afe n SER 113 Ca -0.01 -1.89 -0.41 0.00 -0.26 0.00 0.00 58.87 56.30 3afe n SER 113 Cb 0.08 -0.09 0.02 0.00 -0.26 0.00 0.00 64.21 63.96 3afe n SER 113 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3afe n THR 114 N 1.11 2.41 -4.39 6.66 -1.04 -0.80 -5.00 114.28 113.23 3afe n THR 114 Ca 0.17 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.40 3afe n THR 114 Cb 0.54 -0.94 -0.12 0.00 -1.82 0.00 0.00 70.33 67.98 3afe n THR 114 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3afe s ARG 115 N -2.00 1.41 0.10 -2.82 0.52 -1.26 -5.01 118.95 109.89 3afe s ARG 115 Ca 0.65 -1.39 0.10 0.00 -0.52 0.00 0.00 55.73 54.57 3afe s ARG 115 Cb -0.54 -1.81 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 3afe s ARG 115 CO 0.56 0.41 -0.25 0.42 0.02 0.00 0.00 175.30 176.46 3afe s ILE 116 N -1.31 2.10 0.14 1.52 1.09 -1.26 -1.91 121.20 121.57 3afe s ILE 116 Ca 0.16 -1.59 0.00 0.00 -1.10 0.00 0.00 60.65 58.12 3afe s ILE 116 Cb -0.09 -1.85 0.00 0.00 -1.06 0.00 0.00 42.46 39.47 3afe s ILE 116 CO 0.07 0.14 0.02 -1.54 -0.10 0.00 0.00 174.94 173.54 3afe n SER 117 N 1.22 2.18 -3.48 3.58 3.41 -0.06 -4.72 113.62 115.74 3afe n SER 117 Ca -0.18 -1.58 -0.10 0.00 -0.26 0.00 0.00 58.87 56.75 3afe n SER 117 Cb 0.53 0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 3afe n SER 117 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3afe s SER 118 N -1.78 -0.47 -0.24 4.04 1.04 -1.26 0.23 113.70 115.25 3afe s SER 118 Ca 0.02 -0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.38 3afe s SER 118 Cb -0.00 0.53 0.12 0.00 0.10 0.00 0.00 66.02 66.77 3afe s SER 118 CO 0.01 -0.88 0.29 -0.55 0.98 0.00 0.00 173.24 173.10 3afe s SER 119 N -2.68 1.17 0.11 7.02 0.15 -0.11 -4.40 113.70 114.96 3afe s SER 119 Ca 0.03 -0.30 0.19 0.00 0.70 0.00 0.00 55.95 56.57 3afe s SER 119 Cb -0.01 0.63 -0.09 0.00 -1.71 0.00 0.00 66.02 64.84 3afe s SER 119 CO -0.10 -0.34 0.91 1.88 1.20 0.00 0.00 173.24 176.78 3afe h TYR 120 N 8.26 0.00 -3.98 3.44 0.05 -1.90 -1.73 116.97 121.11 3afe h TYR 120 Ca -0.16 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.08 3afe h TYR 120 Cb 1.13 0.00 0.12 0.00 1.01 0.00 0.00 36.73 38.98 3afe h TYR 120 CO 0.18 0.40 0.74 0.00 -1.05 0.00 0.00 178.16 178.43 3afe s ALA 121 N -3.06 3.35 -0.94 3.88 0.00 -1.26 -4.04 121.76 119.68 3afe s ALA 121 Ca -0.02 1.52 -0.24 0.00 0.00 0.00 0.00 51.96 53.22 3afe s ALA 121 Cb 0.09 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 3afe s ALA 121 CO 0.80 -1.18 1.91 -1.25 0.00 0.00 0.00 175.76 176.04 3afe s PRO 122 N -2.35 2.62 -0.06 0.00 0.04 -1.26 -4.38 135.00 129.61 3afe s PRO 122 Ca 0.59 -0.45 0.11 0.00 0.04 0.00 0.00 61.00 61.29 3afe s PRO 122 Cb -0.45 -5.10 0.31 0.00 0.04 0.00 0.00 34.50 29.29 3afe s PRO 122 CO 0.59 -3.36 1.24 -1.33 0.04 0.00 0.00 177.00 174.18 3afe n MET 123 N 8.79 2.77 -0.64 4.56 2.81 -1.24 -4.97 117.12 129.19 3afe n MET 123 Ca 0.40 -2.20 0.00 0.00 -1.81 0.00 0.00 57.70 54.09 3afe n MET 123 Cb 0.47 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 3afe n MET 123 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3afe n GLY 124 N -0.11 2.23 3.43 3.03 0.00 -1.26 -3.42 105.19 109.09 3afe n GLY 124 Ca 0.12 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 3afe n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3afe s ALA 125 N -1.00 -1.55 -0.17 4.61 0.00 -0.97 -4.16 121.76 118.52 3afe s ALA 125 Ca 0.00 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.56 3afe s ALA 125 Cb 0.00 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.81 3afe s ALA 125 CO 0.00 -0.67 -0.18 0.20 0.00 0.00 0.00 175.76 175.11 3afe s GLY 126 N -2.43 1.42 -0.12 0.00 0.00 -0.85 -2.28 107.32 103.08 3afe s GLY 126 Ca -0.01 -1.15 -0.18 0.00 0.00 0.00 0.00 44.72 43.38 3afe s GLY 126 CO -0.08 0.18 0.47 0.14 0.00 0.00 0.00 173.10 173.80 3afe s VAL 127 N 1.11 5.19 0.04 1.40 1.01 0.14 -0.32 120.40 128.97 3afe s VAL 127 Ca 0.00 0.93 -0.30 0.00 0.00 0.00 0.00 61.98 62.61 3afe s VAL 127 Cb -0.14 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 3afe s VAL 127 CO -0.07 0.34 1.94 -0.69 0.00 0.00 0.00 175.10 176.62 3afe s VAL 128 N 0.56 2.99 0.33 2.92 1.01 -0.94 0.52 120.40 127.79 3afe s VAL 128 Ca 0.25 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.33 3afe s VAL 128 Cb -0.15 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3afe s VAL 128 CO 0.10 -0.00 0.16 0.68 0.00 0.00 0.00 175.10 176.03 3afe s VAL 129 N 4.24 0.40 0.18 2.92 -7.23 -0.77 -4.88 120.40 115.26 3afe s VAL 129 Ca 0.87 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.72 3afe s VAL 129 Cb -0.43 -2.49 -0.12 0.00 0.56 0.00 0.00 36.38 33.91 3afe s VAL 129 CO 0.40 0.00 1.76 0.47 -0.31 0.00 0.00 175.10 177.42 3afe n ASP 130 N -1.07 3.97 0.00 4.85 10.43 -1.26 -1.88 116.55 131.59 3afe n ASP 130 Ca -0.00 1.04 0.00 0.00 2.57 0.00 0.00 54.79 58.40 3afe n ASP 130 Cb 0.65 -1.56 0.00 0.00 1.84 0.00 0.00 41.12 42.05 3afe n ASP 130 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3afe n GLY 131 N 4.03 0.48 0.00 0.44 0.00 -1.26 -4.80 105.19 104.08 3afe n GLY 131 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3afe n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3afe n GLY 132 N -1.77 -0.71 3.08 -0.02 0.00 -0.79 -1.22 105.19 103.77 3afe n GLY 132 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 3afe n GLY 132 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3afe s TYR 133 N -2.24 0.58 -0.30 1.61 2.02 0.12 -1.85 117.35 117.28 3afe s TYR 133 Ca 0.00 -0.80 -0.07 0.00 -0.37 0.00 0.00 57.07 55.83 3afe s TYR 133 Cb 0.00 -0.38 0.01 0.00 -0.40 0.00 0.00 41.96 41.19 3afe s TYR 133 CO 0.00 -0.22 0.09 -1.17 -1.57 0.00 0.00 175.55 172.68 3afe s LEU 134 N -2.36 3.94 -0.18 -1.29 2.96 0.18 -0.27 118.68 121.67 3afe s LEU 134 Ca -0.00 -0.77 -0.06 0.00 -0.22 0.00 0.00 54.13 53.08 3afe s LEU 134 Cb -0.00 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3afe s LEU 134 CO -0.05 -0.21 0.03 -0.69 -1.32 0.00 0.00 176.35 174.11 3afe s VAL 135 N 1.49 4.44 -0.01 1.68 1.01 -0.12 -0.69 120.40 128.20 3afe s VAL 135 Ca 0.02 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3afe s VAL 135 Cb -0.18 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 3afe s VAL 135 CO 0.03 0.47 -0.08 0.20 0.00 0.00 0.00 175.10 175.72 3afe s ASN 136 N 0.43 0.98 0.00 3.32 0.01 -0.97 -2.03 114.94 116.68 3afe s ASN 136 Ca 0.01 -0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.01 3afe s ASN 136 Cb -0.13 -0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.35 3afe s ASN 136 CO 0.01 0.08 0.00 0.61 -1.51 0.00 0.00 177.10 176.29 3afe n GLY 137 N 3.08 1.75 2.96 0.66 0.00 0.21 -2.30 105.19 111.55 3afe n GLY 137 Ca -0.15 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 3afe n GLY 137 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3afe s SER 138 N 0.00 4.08 -0.23 1.61 0.15 -1.22 -0.89 113.70 117.20 3afe s SER 138 Ca 0.00 -1.35 -0.06 0.00 0.70 0.00 0.00 55.95 55.23 3afe s SER 138 Cb 0.00 -1.28 -0.03 0.00 -1.71 0.00 0.00 66.02 63.01 3afe s SER 138 CO 0.00 -0.25 0.04 0.26 1.20 0.00 0.00 173.24 174.48 3afe s TRP 139 N 1.30 3.06 0.72 3.44 0.51 0.13 -4.78 118.94 123.32 3afe s TRP 139 Ca -0.04 -0.48 0.02 0.00 -2.12 0.00 0.00 56.10 53.48 3afe s TRP 139 Cb -0.19 -2.17 0.14 0.00 -0.81 0.00 0.00 33.47 30.43 3afe s TRP 139 CO -0.07 -0.33 0.99 0.27 -0.51 0.00 0.00 176.95 177.29 3afe n ASN 140 N 4.68 1.55 -3.68 2.95 6.94 -1.26 0.27 115.26 126.71 3afe n ASN 140 Ca -0.17 -2.25 -0.21 0.00 -0.02 0.00 0.00 54.58 51.93 3afe n ASN 140 Cb 0.51 -0.62 0.04 0.00 -2.36 0.00 0.00 39.78 37.35 3afe n ASN 140 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 3afe n TRP 141 N -2.78 -1.95 -3.17 -2.53 7.02 -1.23 -4.80 117.44 108.01 3afe n TRP 141 Ca 0.17 0.85 -0.45 0.00 -1.02 0.00 0.00 57.50 57.05 3afe n TRP 141 Cb 0.61 -4.46 -0.01 0.00 -2.42 0.00 0.00 31.31 25.03 3afe n TRP 141 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3afe s SER 142 N -4.34 6.93 0.21 -0.99 0.15 -0.14 -4.82 113.70 110.70 3afe s SER 142 Ca 0.02 -2.83 -0.32 0.00 0.70 0.00 0.00 55.95 53.52 3afe s SER 142 Cb -0.01 -2.29 -0.13 0.00 -1.71 0.00 0.00 66.02 61.88 3afe s SER 142 CO 0.80 -0.65 1.60 -1.20 1.20 0.00 0.00 173.24 175.00 3afe n SER 143 N 4.57 3.45 0.00 5.45 7.64 -1.26 -1.90 113.62 131.56 3afe n SER 143 Ca 0.23 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.20 3afe n SER 143 Cb 0.45 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 3afe n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3afe n GLY 144 N 3.20 0.27 0.37 0.23 0.00 -0.16 -4.70 105.19 104.41 3afe n GLY 144 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 3afe n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3afe n ASP 146 N -4.56 0.14 -0.63 0.00 10.43 -1.26 -1.16 116.55 119.51 3afe n ASP 146 Ca 0.17 0.52 0.06 0.00 2.57 0.00 0.00 54.79 58.11 3afe n ASP 146 Cb 0.34 -0.53 0.16 0.00 1.84 0.00 0.00 41.12 42.92 3afe n ASP 146 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 3afe n HIS 147 N -1.66 0.52 -4.41 1.24 8.25 0.68 -5.00 115.22 114.83 3afe n HIS 147 Ca -0.00 -0.59 -0.24 0.00 -0.26 0.00 0.00 57.72 56.63 3afe n HIS 147 Cb 0.06 -0.09 -0.11 0.00 1.12 0.00 0.00 29.99 30.97 3afe n HIS 147 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3afe s ALA 148 N -1.43 2.45 -0.39 -1.41 0.00 -0.31 -4.73 121.76 115.95 3afe s ALA 148 Ca 0.25 -1.71 0.04 0.00 0.00 0.00 0.00 51.96 50.55 3afe s ALA 148 Cb 0.16 -0.24 0.09 0.00 0.00 0.00 0.00 23.12 23.13 3afe s ALA 148 CO 0.13 0.29 0.96 -1.13 0.00 0.00 0.00 175.76 176.01 3afe n SER 149 N -0.16 2.06 -4.09 0.00 3.41 -0.80 -4.94 113.62 109.11 3afe n SER 149 Ca -0.09 -1.77 -0.09 0.00 -0.26 0.00 0.00 58.87 56.65 3afe n SER 149 Cb 0.58 -0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 3afe n SER 149 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3afe s TRP 150 N -0.82 0.69 -0.04 7.33 0.52 -1.15 -0.52 118.94 124.94 3afe s TRP 150 Ca 0.07 -1.08 -0.18 0.00 0.02 0.00 0.00 56.10 54.94 3afe s TRP 150 Cb 0.04 -0.35 0.03 0.00 -1.15 0.00 0.00 33.47 32.04 3afe s TRP 150 CO 0.06 -0.56 0.39 -0.08 0.02 0.00 0.00 176.95 176.78 3afe s THR 151 N -4.01 0.04 -0.01 2.01 -1.32 -0.37 -0.88 115.64 111.10 3afe s THR 151 Ca 0.20 -0.32 -0.15 0.00 -1.21 0.00 0.00 61.69 60.21 3afe s THR 151 Cb 0.06 -0.68 -0.06 0.00 -1.51 0.00 0.00 72.50 70.32 3afe s THR 151 CO -0.00 -0.17 0.43 -0.36 -2.21 0.00 0.00 174.62 172.30 3afe s PHE 152 N -1.05 3.71 -0.02 9.09 0.08 0.13 -1.23 117.98 128.69 3afe s PHE 152 Ca -0.11 1.00 0.03 0.00 0.12 0.00 0.00 56.93 57.97 3afe s PHE 152 Cb -0.04 -2.33 -0.00 0.00 -0.57 0.00 0.00 43.02 40.07 3afe s PHE 152 CO 0.05 0.59 -0.10 0.14 -0.10 0.00 0.00 175.22 175.79 3afe s VAL 153 N -0.89 0.86 0.09 -0.44 -7.23 -0.36 -0.93 120.40 111.50 3afe s VAL 153 Ca 0.24 -0.44 0.02 0.00 -1.81 0.00 0.00 61.98 60.00 3afe s VAL 153 Cb -0.17 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 3afe s VAL 153 CO 0.13 0.25 0.17 -0.83 -0.31 0.00 0.00 175.10 174.52 3afe s GLY 154 N -0.06 1.99 0.00 2.32 0.00 -0.65 0.06 107.32 110.98 3afe s GLY 154 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3afe s GLY 154 CO 0.00 -0.96 0.00 0.61 0.00 0.00 0.00 173.10 172.75 3afe n GLY 155 N 0.12 1.04 3.90 0.20 0.00 -0.59 -3.71 105.19 106.14 3afe n GLY 155 Ca -0.07 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 3afe n GLY 155 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3afe s PRO 156 N -2.00 2.90 -0.18 1.61 0.04 -1.26 -1.90 135.00 134.22 3afe s PRO 156 Ca 0.00 0.28 -0.15 0.00 0.04 0.00 0.00 61.00 61.17 3afe s PRO 156 Cb 0.00 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3afe s PRO 156 CO 0.00 -0.89 0.36 0.08 0.04 0.00 0.00 177.00 176.60 3afe s VAL 157 N -3.21 5.24 -0.42 -0.36 1.01 -0.04 -2.00 120.40 120.62 3afe s VAL 157 Ca 0.56 0.67 -0.11 0.00 0.00 0.00 0.00 61.98 63.10 3afe s VAL 157 Cb -0.11 -3.70 0.06 0.00 0.00 0.00 0.00 36.38 32.63 3afe s VAL 157 CO 0.49 0.31 0.28 -0.63 0.00 0.00 0.00 175.10 175.56 3afe s ILE 158 N 0.90 4.60 -0.27 2.22 -1.09 0.56 -1.04 121.20 127.08 3afe s ILE 158 Ca 0.19 -1.16 -0.10 0.00 -2.23 0.00 0.00 60.65 57.35 3afe s ILE 158 Cb -0.14 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 3afe s ILE 158 CO 0.07 -0.45 0.16 -0.75 -1.23 0.00 0.00 174.94 172.73 3afe s LYS 159 N 1.52 3.89 -1.54 2.79 2.20 -0.34 -2.22 119.74 126.03 3afe s LYS 159 Ca 0.03 -0.35 -0.14 0.00 -0.36 0.00 0.00 55.97 55.14 3afe s LYS 159 Cb -0.22 -3.57 0.10 0.00 -1.51 0.00 0.00 37.83 32.63 3afe s LYS 159 CO 0.05 -0.16 0.86 -0.25 -0.36 0.00 0.00 175.35 175.48 3afe n ASP 160 N 4.97 -4.41 0.00 1.43 8.00 -1.26 -1.61 116.55 123.67 3afe n ASP 160 Ca -0.15 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.60 3afe n ASP 160 Cb 0.52 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.07 3afe n ASP 160 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3afe n GLY 161 N -1.54 0.65 3.05 0.44 0.00 -1.26 -5.04 105.19 101.48 3afe n GLY 161 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3afe n GLY 161 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3afe s ARG 162 N -0.19 1.14 0.03 1.61 1.70 -0.64 -5.09 118.95 117.53 3afe s ARG 162 Ca 0.00 -0.41 -0.30 0.00 -0.47 0.00 0.00 55.73 54.55 3afe s ARG 162 Cb 0.00 -1.06 -0.08 0.00 -0.57 0.00 0.00 34.95 33.25 3afe s ARG 162 CO 0.00 0.19 1.67 -2.14 -1.08 0.00 0.00 175.30 173.94 3afe s PRO 163 N 0.01 4.19 0.00 3.89 0.02 -1.26 -1.20 135.00 140.65 3afe s PRO 163 Ca -0.01 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.32 3afe s PRO 163 Cb -0.08 -3.75 0.00 0.00 0.02 0.00 0.00 34.50 30.69 3afe s PRO 163 CO 0.00 -0.78 0.49 1.33 -0.33 0.00 0.00 177.00 177.71 3afe n VAL 164 N 5.00 0.24 -3.75 3.83 0.24 -0.21 -4.94 118.33 118.75 3afe n VAL 164 Ca 0.16 -0.36 -0.01 0.00 -2.04 0.00 0.00 64.34 62.10 3afe n VAL 164 Cb 0.41 1.15 -0.00 0.00 -1.47 0.00 0.00 33.84 33.93 3afe n VAL 164 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3afe s ASP 165 N -0.24 -0.08 -0.17 -1.34 -1.08 -1.25 -4.95 116.67 107.57 3afe s ASP 165 Ca 0.00 -0.33 -0.13 0.00 -0.52 0.00 0.00 52.55 51.57 3afe s ASP 165 Cb 0.00 0.33 0.05 0.00 -1.46 0.00 0.00 42.92 41.84 3afe s ASP 165 CO 0.00 -0.63 0.43 0.12 0.52 0.00 0.00 175.17 175.61 3afe s PHE 166 N -2.65 -0.54 0.00 -5.34 5.36 -1.26 -0.86 117.98 112.68 3afe s PHE 166 Ca 0.16 1.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 3afe s PHE 166 Cb 0.01 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.90 3afe s PHE 166 CO 0.00 -0.28 0.00 0.41 -1.46 0.00 0.00 175.22 173.89 3afe n GLY 167 N 3.43 1.10 3.28 13.12 0.00 -0.80 -1.42 105.19 123.90 3afe n GLY 167 Ca -0.17 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 3afe n GLY 167 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3afe s SER 168 N 2.00 3.13 -0.14 1.61 0.01 -0.73 -1.54 113.70 118.04 3afe s SER 168 Ca 0.00 -0.50 -0.05 0.00 1.31 0.00 0.00 55.95 56.71 3afe s SER 168 Cb 0.00 -0.87 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 3afe s SER 168 CO 0.00 0.24 0.05 -0.36 0.41 0.00 0.00 173.24 173.59 3afe s PHE 169 N -0.16 3.28 -0.25 2.43 0.08 0.11 -1.33 117.98 122.14 3afe s PHE 169 Ca -0.04 0.18 -0.10 0.00 0.12 0.00 0.00 56.93 57.10 3afe s PHE 169 Cb -0.14 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 3afe s PHE 169 CO 0.04 0.36 0.14 -1.17 -0.10 0.00 0.00 175.22 174.49 3afe s LEU 170 N -0.31 3.87 -0.04 -0.37 2.96 0.66 -1.23 118.68 124.22 3afe s LEU 170 Ca 0.08 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 3afe s LEU 170 Cb -0.12 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.54 3afe s LEU 170 CO 0.02 0.01 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.37 3afe s ILE 171 N 1.39 0.58 0.54 6.68 1.01 -0.37 -4.90 121.20 126.14 3afe s ILE 171 Ca 0.06 -0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 3afe s ILE 171 Cb -0.15 -0.57 -0.07 0.00 0.01 0.00 0.00 42.46 41.69 3afe s ILE 171 CO 0.06 0.22 1.00 -2.16 0.00 0.00 0.00 174.94 174.07 3afe s PRO 172 N 0.64 3.78 0.44 2.79 0.04 -1.26 -1.23 135.00 140.18 3afe s PRO 172 Ca -0.09 0.99 0.24 0.00 0.04 0.00 0.00 61.00 62.18 3afe s PRO 172 Cb -0.12 -2.11 1.25 0.00 0.04 0.00 0.00 34.50 33.56 3afe s PRO 172 CO 0.00 -0.42 1.76 -0.09 0.04 0.00 0.00 177.00 178.30 3afe h ARG 173 N 0.70 0.26 0.00 4.56 9.65 -1.16 -1.48 114.38 126.91 3afe h ARG 173 Ca -0.47 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 3afe h ARG 173 Cb 1.19 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 3afe h ARG 173 CO 0.61 0.17 0.00 -1.13 2.80 0.00 0.00 179.97 182.42 3afe n SER 174 N -4.53 0.43 -0.83 -3.80 3.41 -1.26 -2.72 113.62 104.32 3afe n SER 174 Ca 0.27 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.59 3afe n SER 174 Cb 1.03 -0.71 0.24 0.00 -0.26 0.00 0.00 64.21 64.52 3afe n SER 174 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3afe n GLU 175 N -2.00 2.85 -3.81 4.33 1.02 -0.56 -4.99 120.64 117.49 3afe n GLU 175 Ca 0.02 -2.75 -0.12 0.00 -0.02 0.00 0.00 57.16 54.29 3afe n GLU 175 Cb 0.16 -1.77 -0.08 0.00 -0.02 0.00 0.00 31.44 29.72 3afe n GLU 175 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3afe s TYR 176 N -2.65 -0.04 -0.18 -0.32 -0.85 -1.10 -4.59 117.35 107.61 3afe s TYR 176 Ca 0.40 -0.05 -0.09 0.00 -0.52 0.00 0.00 57.07 56.80 3afe s TYR 176 Cb 0.32 0.03 -0.05 0.00 0.38 0.00 0.00 41.96 42.64 3afe s TYR 176 CO 0.09 -0.41 0.13 -2.00 -1.52 0.00 0.00 175.55 171.84 3afe s GLU 177 N -2.04 3.97 -0.49 -3.49 2.12 -0.42 -4.92 118.70 113.43 3afe s GLU 177 Ca -0.09 -0.20 -0.20 0.00 0.36 0.00 0.00 54.97 54.84 3afe s GLU 177 Cb -0.03 -3.35 0.05 0.00 0.26 0.00 0.00 34.13 31.06 3afe s GLU 177 CO -0.01 0.44 0.66 0.42 -0.54 0.00 0.00 175.26 176.23 3afe s ILE 178 N -0.03 4.81 -0.09 -3.70 1.01 -1.26 -1.02 121.20 120.91 3afe s ILE 178 Ca 0.10 -0.25 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 3afe s ILE 178 Cb -0.11 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 3afe s ILE 178 CO -0.00 -0.78 0.60 -0.75 0.00 0.00 0.00 174.94 174.01 3afe s LYS 179 N 2.83 4.39 -0.40 2.79 2.47 0.59 -4.93 119.74 127.48 3afe s LYS 179 Ca 0.19 0.69 -0.22 0.00 -1.56 0.00 0.00 55.97 55.06 3afe s LYS 179 Cb -0.17 -3.45 0.01 0.00 -1.46 0.00 0.00 37.83 32.77 3afe s LYS 179 CO 0.15 0.09 0.73 0.34 0.16 0.00 0.00 175.35 176.82 3afe s ASP 180 N 0.74 6.45 0.00 1.43 -1.08 -1.26 -1.87 116.67 121.08 3afe s ASP 180 Ca 0.32 0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.43 3afe s ASP 180 Cb -0.17 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 3afe s ASP 180 CO 0.15 -0.76 0.66 1.33 0.52 0.00 0.00 175.17 177.06 3afe n VAL 181 N 5.86 0.00 -2.70 1.11 0.24 -1.26 -5.03 118.33 116.55 3afe n VAL 181 Ca 0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.89 3afe n VAL 181 Cb 0.48 0.80 -0.02 0.00 -1.47 0.00 0.00 33.84 33.63 3afe n VAL 181 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3afe s TRP 182 N 0.00 2.83 -0.50 6.34 -0.00 -1.26 -4.86 118.94 121.49 3afe s TRP 182 Ca 0.00 -1.24 0.04 0.00 -0.00 0.00 0.00 56.10 54.89 3afe s TRP 182 Cb 0.00 -4.56 0.16 0.00 -0.00 0.00 0.00 33.47 29.08 3afe s TRP 182 CO 0.00 -1.74 0.36 0.71 -0.00 0.00 0.00 176.95 176.28 3afe s TYR 183 N 3.90 1.96 0.34 5.86 2.02 -1.26 -4.99 117.35 125.18 3afe s TYR 183 Ca 0.43 -2.60 0.05 0.00 -0.37 0.00 0.00 57.07 54.58 3afe s TYR 183 Cb -0.01 -1.62 -0.07 0.00 -0.40 0.00 0.00 41.96 39.86 3afe s TYR 183 CO -0.06 -0.74 0.02 0.14 -1.57 0.00 0.00 175.55 173.34 3afe s VAL 184 N -0.27 1.52 -0.39 0.71 -7.23 -1.26 -5.05 120.40 108.42 3afe s VAL 184 Ca 0.27 -2.03 0.24 0.00 -1.81 0.00 0.00 61.98 58.65 3afe s VAL 184 Cb -0.05 -2.78 0.34 0.00 0.56 0.00 0.00 36.38 34.45 3afe s VAL 184 CO -0.14 -0.06 1.64 1.62 -0.31 0.00 0.00 175.10 177.85 3afe h VAL 185 N 2.05 0.02 -3.44 1.32 3.04 -1.99 -3.44 116.25 113.80 3afe h VAL 185 Ca -0.41 -0.98 -0.03 0.00 -1.01 0.00 0.00 66.70 64.27 3afe h VAL 185 Cb 1.24 1.97 -0.09 0.00 -2.01 0.00 0.00 31.29 32.40 3afe h VAL 185 CO 0.72 0.01 -0.03 -0.83 -1.01 0.00 0.00 177.57 176.43 3afe s GLY 186 N -4.21 0.21 -1.51 3.17 0.00 -1.26 -4.80 107.32 98.90 3afe s GLY 186 Ca 0.06 -0.55 -0.15 0.00 0.00 0.00 0.00 44.72 44.08 3afe s GLY 186 CO 0.66 -0.43 0.69 1.04 0.00 0.00 0.00 173.10 175.07 3afe n LEU 187 N -0.36 -1.68 -0.27 0.66 4.77 -1.26 -4.85 117.00 114.00 3afe n LEU 187 Ca -0.05 -0.75 0.08 0.00 -0.03 0.00 0.00 56.01 55.25 3afe n LEU 187 Cb 0.62 -2.11 0.22 0.00 -2.33 0.00 0.00 43.42 39.81 3afe n LEU 187 CO 0.19 0.25 0.97 0.03 -1.33 0.00 0.00 177.39 177.51 3afe h ARG 188 N -1.34 0.30 0.00 3.23 3.08 -1.88 -2.56 114.38 115.21 3afe h ARG 188 Ca -0.52 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.51 3afe h ARG 188 Cb 1.34 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3afe h ARG 188 CO 0.67 0.20 0.00 0.41 -1.07 0.00 0.00 179.97 180.18 3afe n GLY 189 N -1.35 -1.00 0.24 0.04 0.00 -1.26 -3.54 105.19 98.33 3afe n GLY 189 Ca 0.17 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.12 3afe n GLY 189 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3afe h THR 190 N 0.00 0.21 -6.34 2.61 1.35 -1.72 -2.07 112.91 106.95 3afe h THR 190 Ca 0.00 -0.88 -0.46 0.00 -0.55 0.00 0.00 66.41 64.52 3afe h THR 190 Cb 0.00 1.73 0.06 0.00 -1.73 0.00 0.00 68.15 68.21 3afe h THR 190 CO 0.00 0.09 -0.94 0.61 -0.25 0.00 0.00 175.52 175.03 3afe n GLY 191 N 0.35 -0.86 2.91 5.82 0.00 -1.18 -0.99 105.19 111.25 3afe n GLY 191 Ca 0.01 0.40 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 3afe n GLY 191 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3afe n SER 192 N -2.66 4.82 -3.71 1.61 7.64 -1.26 -3.48 113.62 116.57 3afe n SER 192 Ca -0.13 -3.03 -0.19 0.00 1.01 0.00 0.00 58.87 56.53 3afe n SER 192 Cb 0.60 -1.54 0.12 0.00 -1.01 0.00 0.00 64.21 62.38 3afe n SER 192 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3afe n ASN 193 N 4.69 0.62 -4.88 6.43 5.03 -1.21 -3.31 115.26 122.63 3afe n ASN 193 Ca 0.43 -1.65 -0.35 0.00 0.87 0.00 0.00 54.58 53.88 3afe n ASN 193 Cb 0.38 -0.61 -0.06 0.00 -1.02 0.00 0.00 39.78 38.48 3afe n ASN 193 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3afe s THR 194 N -2.67 5.37 -0.21 3.41 2.01 -0.78 -0.97 115.64 121.81 3afe s THR 194 Ca 0.53 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.46 3afe s THR 194 Cb -0.02 -3.44 0.01 0.00 0.01 0.00 0.00 72.50 69.05 3afe s THR 194 CO 0.36 0.44 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.87 3afe s LEU 195 N -1.57 2.66 -0.17 4.42 1.43 0.14 -0.30 118.68 125.30 3afe s LEU 195 Ca 0.22 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 3afe s LEU 195 Cb -0.12 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 3afe s LEU 195 CO 0.13 -0.03 -0.06 -0.69 0.23 0.00 0.00 176.35 175.94 3afe s VAL 196 N 1.39 3.60 -0.12 -1.59 1.01 -0.19 0.19 120.40 124.69 3afe s VAL 196 Ca 0.05 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 3afe s VAL 196 Cb -0.14 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.69 3afe s VAL 196 CO -0.07 0.48 -0.08 -0.69 0.00 0.00 0.00 175.10 174.74 3afe s VAL 197 N 0.66 1.09 -0.24 2.92 1.01 -0.06 -1.31 120.40 124.47 3afe s VAL 197 Ca -0.03 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3afe s VAL 197 Cb -0.15 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 35.17 3afe s VAL 197 CO 0.02 0.34 -0.09 -0.75 0.00 0.00 0.00 175.10 174.63 3afe s LYS 198 N 1.68 2.00 -1.07 2.72 2.36 -1.26 -0.62 119.74 125.55 3afe s LYS 198 Ca 0.04 -1.11 -0.17 0.00 -2.55 0.00 0.00 55.97 52.19 3afe s LYS 198 Cb -0.13 -2.68 -0.01 0.00 -1.05 0.00 0.00 37.83 33.96 3afe s LYS 198 CO -0.08 -0.54 0.78 -0.25 1.55 0.00 0.00 175.35 176.81 3afe n ASP 199 N 4.57 -5.64 -4.23 1.43 8.00 -1.11 -4.96 116.55 114.62 3afe n ASP 199 Ca -0.14 -0.91 -0.35 0.00 0.71 0.00 0.00 54.79 54.11 3afe n ASP 199 Cb 0.44 -3.56 -0.14 0.00 -0.02 0.00 0.00 41.12 37.84 3afe n ASP 199 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3afe s VAL 200 N -3.38 3.00 0.08 2.53 1.01 -0.86 -4.89 120.40 117.88 3afe s VAL 200 Ca 0.40 -0.82 -0.31 0.00 0.00 0.00 0.00 61.98 61.25 3afe s VAL 200 Cb -0.13 -2.45 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 3afe s VAL 200 CO 0.84 0.31 1.39 0.12 0.00 0.00 0.00 175.10 177.76 3afe s PHE 201 N 1.38 3.11 -0.15 5.22 5.36 -1.26 -0.94 117.98 130.70 3afe s PHE 201 Ca 0.03 0.91 0.01 0.00 -0.96 0.00 0.00 56.93 56.92 3afe s PHE 201 Cb -0.15 -3.67 0.02 0.00 -0.34 0.00 0.00 43.02 38.87 3afe s PHE 201 CO -0.05 -2.39 -0.18 0.08 -1.46 0.00 0.00 175.22 171.22 3afe s VAL 202 N 1.55 1.83 0.64 3.12 1.01 0.63 -4.96 120.40 124.22 3afe s VAL 202 Ca 0.64 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 3afe s VAL 202 Cb -0.35 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 3afe s VAL 202 CO 0.29 0.50 1.08 -2.16 0.00 0.00 0.00 175.10 174.82 3afe s PRO 203 N 1.14 3.00 0.32 2.72 0.04 -1.26 0.11 135.00 141.07 3afe s PRO 203 Ca -0.01 1.26 0.09 0.00 0.04 0.00 0.00 61.00 62.37 3afe s PRO 203 Cb -0.14 -1.99 0.95 0.00 0.04 0.00 0.00 34.50 33.36 3afe s PRO 203 CO -0.07 -1.07 1.61 -0.09 0.04 0.00 0.00 177.00 177.42 3afe h ARG 204 N 0.06 0.11 0.00 4.56 2.43 -1.49 -0.38 114.38 119.67 3afe h ARG 204 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3afe h ARG 204 Cb 1.23 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3afe h ARG 204 CO 0.56 0.07 0.00 -2.39 -1.51 0.00 0.00 179.97 176.70 3afe n HIS 205 N -5.29 0.00 -1.24 2.20 1.44 -1.26 -2.56 115.22 108.51 3afe n HIS 205 Ca 0.28 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.93 3afe n HIS 205 Cb 0.91 -0.43 0.23 0.00 0.12 0.00 0.00 29.99 30.81 3afe n HIS 205 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3afe n ARG 206 N -1.43 2.50 -5.28 -1.40 1.74 -0.15 -4.18 116.66 108.45 3afe n ARG 206 Ca 0.07 -3.07 -0.31 0.00 -0.77 0.00 0.00 57.85 53.77 3afe n ARG 206 Cb 0.23 -1.97 -0.16 0.00 -1.02 0.00 0.00 32.46 29.54 3afe n ARG 206 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3afe s PHE 207 N -3.13 2.30 -0.15 -1.55 5.36 -1.06 -0.25 117.98 119.51 3afe s PHE 207 Ca 0.48 -0.47 -0.01 0.00 -0.96 0.00 0.00 56.93 55.97 3afe s PHE 207 Cb 0.41 -1.49 0.04 0.00 -0.34 0.00 0.00 43.02 41.64 3afe s PHE 207 CO 0.06 -0.07 -0.05 -1.17 -1.46 0.00 0.00 175.22 172.54 3afe s LEU 208 N -0.53 1.48 0.27 6.12 2.96 -0.44 -4.90 118.68 123.64 3afe s LEU 208 Ca 0.08 -0.59 -0.29 0.00 -0.22 0.00 0.00 54.13 53.11 3afe s LEU 208 Cb -0.10 -0.86 -0.10 0.00 0.50 0.00 0.00 46.19 45.63 3afe s LEU 208 CO -0.00 -0.18 1.22 -0.55 -1.32 0.00 0.00 176.35 175.52 3afe s SER 209 N 1.67 7.01 0.17 3.68 0.15 -1.26 -1.78 113.70 123.34 3afe s SER 209 Ca 0.01 2.44 -0.12 0.00 0.70 0.00 0.00 55.95 58.98 3afe s SER 209 Cb -0.15 -2.63 0.07 0.00 -1.71 0.00 0.00 66.02 61.61 3afe s SER 209 CO -0.08 -0.38 1.74 1.88 1.20 0.00 0.00 173.24 177.61 3afe h TYR 210 N 4.08 0.88 -0.78 3.44 0.05 -1.62 -2.45 116.97 120.57 3afe h TYR 210 Ca -0.47 -0.06 0.13 0.00 0.05 0.00 0.00 58.73 58.39 3afe h TYR 210 Cb 1.22 -0.27 -0.09 0.00 1.01 0.00 0.00 36.73 38.60 3afe h TYR 210 CO 0.59 0.69 0.36 -0.22 -1.05 0.00 0.00 178.16 178.53 3afe h LYS 211 N 0.81 0.53 -0.44 4.88 3.64 -1.93 -0.32 116.57 123.74 3afe h LYS 211 Ca 0.20 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3afe h LYS 211 Cb 0.17 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3afe h LYS 211 CO -0.02 0.35 -0.09 0.00 -2.27 0.00 0.00 179.45 177.42 3afe h ALA 212 N 1.53 1.02 -0.40 5.00 0.00 -1.84 0.95 119.26 125.51 3afe h ALA 212 Ca 0.42 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3afe h ALA 212 Cb 0.58 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3afe h ALA 212 CO -0.36 0.59 0.21 0.52 0.00 0.00 0.00 179.25 180.21 3afe h MET 213 N 0.70 0.57 -0.12 0.00 2.86 -0.68 0.14 114.93 118.41 3afe h MET 213 Ca 0.12 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3afe h MET 213 Cb 0.56 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3afe h MET 213 CO 0.03 0.48 0.05 -0.91 1.06 0.00 0.00 176.91 177.62 3afe h ASN 214 N 0.52 0.07 0.22 1.22 2.35 -0.70 -2.75 115.58 116.50 3afe h ASN 214 Ca 0.14 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3afe h ASN 214 Cb 0.08 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3afe h ASN 214 CO -0.02 0.06 0.00 0.44 -1.65 0.00 0.00 177.43 176.26 3afe h ASP 215 N 0.11 0.00 -2.48 5.81 3.32 -0.67 -3.46 116.42 119.06 3afe h ASP 215 Ca 0.05 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.84 3afe h ASP 215 Cb 0.02 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.58 3afe h ASP 215 CO -0.04 0.00 -0.36 1.41 -1.72 0.00 0.00 179.24 178.53 3afe n HIS 216 N -2.71 -0.96 0.59 4.55 8.25 -0.66 -4.93 115.22 119.35 3afe n HIS 216 Ca -0.01 0.19 0.07 0.00 -0.26 0.00 0.00 57.72 57.71 3afe n HIS 216 Cb 0.11 -3.03 0.06 0.00 1.12 0.00 0.00 29.99 28.25 3afe n HIS 216 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3afe n THR 217 N -4.02 0.02 -1.60 1.59 -2.24 0.42 -5.00 114.28 103.45 3afe n THR 217 Ca -0.11 -0.51 -0.45 0.00 -2.27 0.00 0.00 64.05 60.71 3afe n THR 217 Cb 0.59 1.29 -0.02 0.00 -2.10 0.00 0.00 70.33 70.09 3afe n THR 217 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3afe n ALA 218 N 0.82 -0.10 -0.02 6.98 0.00 -1.01 -4.90 120.51 122.28 3afe n ALA 218 Ca 0.09 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.85 3afe n ALA 218 Cb 0.37 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 3afe n ALA 218 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3afe h GLY 219 N 2.65 -0.19 -0.05 0.00 0.00 -1.82 -2.56 103.07 101.11 3afe h GLY 219 Ca -0.42 0.29 0.24 0.00 0.00 0.00 0.00 47.33 47.44 3afe h GLY 219 CO 0.65 -0.19 0.79 -1.33 0.00 0.00 0.00 176.54 176.46 3afe h GLY 220 N -0.26 0.00 2.00 4.60 0.00 0.84 0.43 103.07 110.68 3afe h GLY 220 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 3afe h GLY 220 CO -0.34 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.60 3afe h LEU 221 N 0.00 0.00 -1.06 3.11 3.38 -1.64 0.23 115.31 119.33 3afe h LEU 221 Ca 0.40 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.29 3afe h LEU 221 Cb 1.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 3afe h LEU 221 CO -0.00 0.01 -0.14 0.00 0.09 0.00 0.00 178.44 178.39 3afe h ALA 222 N 1.99 1.22 0.00 1.53 0.00 -0.31 -3.29 119.26 120.40 3afe h ALA 222 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3afe h ALA 222 Cb 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3afe h ALA 222 CO 0.00 0.51 -1.58 0.25 0.00 0.00 0.00 179.25 178.43 3afe n THR 223 N -4.19 0.06 -3.68 0.00 -2.24 -0.70 -4.88 114.28 98.65 3afe n THR 223 Ca 0.00 -0.30 -0.38 0.00 -2.27 0.00 0.00 64.05 61.11 3afe n THR 223 Cb 0.33 0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.62 3afe n THR 223 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3afe s ASN 224 N -3.50 5.42 0.00 3.42 0.01 0.74 -4.93 114.94 116.10 3afe s ASN 224 Ca -0.05 -2.45 0.25 0.00 -0.71 0.00 0.00 52.86 49.90 3afe s ASN 224 Cb 0.08 -1.90 0.45 0.00 0.41 0.00 0.00 41.25 40.29 3afe s ASN 224 CO 0.51 -0.49 1.37 -1.54 -1.51 0.00 0.00 177.10 175.44 3afe n SER 225 N 4.07 0.97 -4.74 -1.22 3.41 -1.26 -4.52 113.62 110.33 3afe n SER 225 Ca 0.03 -0.77 -0.39 0.00 -0.26 0.00 0.00 58.87 57.49 3afe n SER 225 Cb 0.40 0.33 0.04 0.00 -0.26 0.00 0.00 64.21 64.72 3afe n SER 225 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3afe n ALA 226 N -0.97 1.54 -0.08 7.33 0.00 -1.26 -4.88 120.51 122.19 3afe n ALA 226 Ca 0.08 0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.74 3afe n ALA 226 Cb 0.36 -2.35 0.45 0.00 0.00 0.00 0.00 19.45 17.91 3afe n ALA 226 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3afe h PRO 227 N 1.44 0.51 -0.52 0.00 0.11 -1.92 -2.10 132.00 129.52 3afe h PRO 227 Ca -0.51 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.72 3afe h PRO 227 Cb 1.31 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3afe h PRO 227 CO 0.57 0.34 0.43 -0.24 -0.21 0.00 0.00 178.00 178.89 3afe h VAL 228 N 0.52 0.57 -0.01 3.15 3.04 -1.87 -1.00 116.25 120.66 3afe h VAL 228 Ca 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.94 3afe h VAL 228 Cb 0.32 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 3afe h VAL 228 CO -0.07 0.00 -0.01 -1.22 -1.01 0.00 0.00 177.57 175.26 3afe n TYR 229 N -4.10 0.00 1.26 3.17 4.01 -0.79 -2.42 117.16 118.29 3afe n TYR 229 Ca 0.10 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.97 3afe n TYR 229 Cb 0.65 -0.02 0.34 0.00 -0.31 0.00 0.00 39.34 39.99 3afe n TYR 229 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3afe n LYS 230 N -0.62 1.20 -1.96 -0.72 4.01 -0.38 -4.94 118.16 114.76 3afe n LYS 230 Ca 0.21 -0.78 -0.41 0.00 -0.51 0.00 0.00 58.31 56.81 3afe n LYS 230 Cb 0.21 -1.48 -0.02 0.00 -0.51 0.00 0.00 35.03 33.23 3afe n LYS 230 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 3afe s MET 231 N -2.34 4.23 0.31 1.97 -1.94 -1.02 -4.94 119.30 115.59 3afe s MET 231 Ca 0.27 2.37 -0.29 0.00 -1.71 0.00 0.00 55.69 56.33 3afe s MET 231 Cb 0.20 -3.08 -0.11 0.00 2.01 0.00 0.00 34.83 33.85 3afe s MET 231 CO 0.47 -0.45 1.51 -2.14 -0.01 0.00 0.00 175.02 174.40 3afe s PRO 232 N -0.68 4.16 0.26 2.03 0.02 -1.26 -4.88 135.00 134.65 3afe s PRO 232 Ca 0.59 2.50 -0.02 0.00 0.02 0.00 0.00 61.00 64.09 3afe s PRO 232 Cb -0.43 -3.03 0.45 0.00 0.02 0.00 0.00 34.50 31.51 3afe s PRO 232 CO 0.47 -0.53 1.84 2.35 -0.33 0.00 0.00 177.00 180.80 3afe h TRP 233 N 4.21 1.07 0.00 6.54 2.91 -1.94 -0.48 115.95 128.27 3afe h TRP 233 Ca -0.48 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.57 3afe h TRP 233 Cb 1.23 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 29.54 3afe h TRP 233 CO 0.57 0.47 0.00 0.41 -1.03 0.00 0.00 178.44 178.86 3afe n GLY 234 N -1.34 -0.77 0.34 2.65 0.00 -1.26 -1.55 105.19 103.26 3afe n GLY 234 Ca 0.16 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 3afe n GLY 234 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3afe n THR 235 N -1.34 0.92 0.17 2.61 -1.04 -0.71 -4.51 114.28 110.38 3afe n THR 235 Ca 0.05 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.05 61.65 3afe n THR 235 Cb 0.11 -1.50 -0.07 0.00 -1.82 0.00 0.00 70.33 67.05 3afe n THR 235 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 3afe h MET 236 N -0.40 -0.37 -0.09 -2.82 -1.53 -1.05 -1.68 114.93 106.98 3afe h MET 236 Ca -0.40 0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 55.87 3afe h MET 236 Cb 1.43 0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 32.56 3afe h MET 236 CO -0.19 -0.25 0.02 1.25 0.14 0.00 0.00 176.91 177.88 3afe h HIS 237 N -0.39 0.15 -0.56 1.39 6.17 -1.53 -1.36 115.15 119.03 3afe h HIS 237 Ca -0.03 -0.02 -0.09 0.00 0.71 0.00 0.00 60.37 60.94 3afe h HIS 237 Cb 0.32 -0.04 -0.02 0.00 2.52 0.00 0.00 27.41 30.18 3afe h HIS 237 CO -0.08 0.32 -0.01 -1.35 0.71 0.00 0.00 177.93 177.52 3afe h PRO 238 N -0.06 0.99 -0.96 5.26 0.11 -1.74 -3.00 132.00 132.61 3afe h PRO 238 Ca 0.03 -0.32 0.08 0.00 0.11 0.00 0.00 66.00 65.90 3afe h PRO 238 Cb 0.24 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.19 3afe h PRO 238 CO 0.00 1.00 0.60 1.15 -0.21 0.00 0.00 178.00 180.54 3afe h THR 239 N 0.88 1.02 -0.66 -1.15 2.02 -1.18 0.77 112.91 114.60 3afe h THR 239 Ca 0.16 -0.36 0.14 0.00 0.77 0.00 0.00 66.41 67.12 3afe h THR 239 Cb 0.55 -0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 3afe h THR 239 CO 0.03 0.19 0.45 0.00 0.37 0.00 0.00 175.52 176.56 3afe h THR 240 N 1.05 0.79 -0.01 3.16 1.03 -1.10 0.18 112.91 118.00 3afe h THR 240 Ca 0.43 -0.09 -0.23 0.00 -0.01 0.00 0.00 66.41 66.51 3afe h THR 240 Cb 0.27 0.49 0.01 0.00 -1.07 0.00 0.00 68.15 67.85 3afe h THR 240 CO -0.21 0.05 -0.95 0.40 -0.01 0.00 0.00 175.52 174.80 3afe h ILE 241 N 0.28 1.36 0.20 0.00 1.08 -0.84 -3.39 117.51 116.21 3afe h ILE 241 Ca 0.32 -2.36 -0.33 0.00 -0.39 0.00 0.00 64.86 62.10 3afe h ILE 241 Cb 0.86 2.37 0.02 0.00 -3.07 0.00 0.00 36.82 37.00 3afe h ILE 241 CO -0.07 0.71 -1.54 0.28 -0.69 0.00 0.00 178.15 176.84 3afe h SER 242 N 0.29 0.67 -0.37 1.72 0.02 -0.09 -3.34 113.55 112.46 3afe h SER 242 Ca -0.09 -0.93 0.07 0.00 -0.84 0.00 0.00 61.79 60.01 3afe h SER 242 Cb 1.59 -0.22 -0.09 0.00 0.14 0.00 0.00 62.40 63.82 3afe h SER 242 CO 0.17 1.71 -0.36 0.00 -1.14 0.00 0.00 176.83 177.21 3afe h ALA 243 N 0.11 -0.29 -0.99 3.77 0.00 -0.90 -0.90 119.26 120.05 3afe h ALA 243 Ca -0.29 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3afe h ALA 243 Cb 2.06 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 20.56 3afe h ALA 243 CO 0.20 -0.78 0.65 -1.35 0.00 0.00 0.00 179.25 177.97 3afe h PRO 244 N -0.30 1.25 -0.57 0.00 0.11 -1.75 -0.80 132.00 129.94 3afe h PRO 244 Ca 0.15 -0.08 0.04 0.00 0.11 0.00 0.00 66.00 66.22 3afe h PRO 244 Cb 0.56 -0.28 -0.04 0.00 0.11 0.00 0.00 31.00 31.35 3afe h PRO 244 CO -0.53 0.83 0.32 0.82 -0.21 0.00 0.00 178.00 179.23 3afe h ILE 245 N 1.29 1.02 -0.88 4.15 2.04 -1.35 0.52 117.51 124.29 3afe h ILE 245 Ca 0.39 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 3afe h ILE 245 Cb -0.05 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 3afe h ILE 245 CO -0.11 0.11 0.50 0.58 0.00 0.00 0.00 178.15 179.24 3afe h VAL 246 N 0.63 1.25 -0.84 1.67 2.07 -0.40 -1.00 116.25 119.63 3afe h VAL 246 Ca 0.24 -0.59 0.08 0.00 0.82 0.00 0.00 66.70 67.26 3afe h VAL 246 Cb 0.08 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 29.82 3afe h VAL 246 CO -0.13 0.27 0.50 1.23 0.02 0.00 0.00 177.57 179.46 3afe h GLY 247 N 1.23 1.30 1.52 2.17 0.00 -0.28 -0.45 103.07 108.56 3afe h GLY 247 Ca 0.31 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 3afe h GLY 247 CO -0.05 0.18 0.02 -0.33 0.00 0.00 0.00 176.54 176.35 3afe h MET 248 N 0.86 0.60 -0.41 4.80 2.07 0.33 -0.99 114.93 122.19 3afe h MET 248 Ca 0.39 -0.13 -0.09 0.00 -2.07 0.00 0.00 59.70 57.80 3afe h MET 248 Cb 0.30 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.93 3afe h MET 248 CO -0.22 0.61 -0.12 0.00 1.07 0.00 0.00 176.91 178.24 3afe h ALA 249 N 1.45 1.03 -0.51 6.32 0.00 -0.28 -0.96 119.26 126.31 3afe h ALA 249 Ca 0.12 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3afe h ALA 249 Cb 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3afe h ALA 249 CO 0.01 0.59 -0.00 1.88 0.00 0.00 0.00 179.25 181.72 3afe h TYR 250 N 0.66 0.91 0.03 0.00 -1.99 -0.26 -1.26 116.97 115.06 3afe h TYR 250 Ca 0.11 -0.13 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 3afe h TYR 250 Cb 0.58 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 39.07 3afe h TYR 250 CO 0.03 0.83 -0.01 0.78 -0.00 0.00 0.00 178.16 179.79 3afe h GLY 251 N 0.99 -0.04 0.83 3.88 0.00 -0.77 -2.79 103.07 105.17 3afe h GLY 251 Ca 0.15 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.52 3afe h GLY 251 CO 0.02 -0.01 0.22 0.00 0.00 0.00 0.00 176.54 176.77 3afe h ALA 252 N 0.70 0.52 -0.45 3.60 0.00 -1.14 -1.85 119.26 120.64 3afe h ALA 252 Ca -0.00 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3afe h ALA 252 Cb 0.25 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 3afe h ALA 252 CO 0.01 -0.12 -0.23 -0.92 0.00 0.00 0.00 179.25 177.98 3afe h TYR 253 N 0.45 -0.59 -0.24 0.00 3.20 -1.13 0.13 116.97 118.78 3afe h TYR 253 Ca 0.17 0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 3afe h TYR 253 Cb 0.06 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3afe h TYR 253 CO -0.09 -0.31 -0.33 0.00 -1.64 0.00 0.00 178.16 175.79 3afe h ALA 254 N 1.13 0.98 0.04 1.82 0.00 -1.29 -0.19 119.26 121.75 3afe h ALA 254 Ca 0.21 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3afe h ALA 254 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3afe h ALA 254 CO -0.54 0.60 -0.02 0.00 0.00 0.00 0.00 179.25 179.30 3afe h ALA 255 N 1.21 -0.05 0.09 0.00 0.00 -0.50 -2.15 119.26 117.87 3afe h ALA 255 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3afe h ALA 255 Cb 0.79 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3afe h ALA 255 CO 0.06 -0.50 -0.05 1.25 0.00 0.00 0.00 179.25 180.02 3afe h HIS 256 N -0.11 -0.12 -0.87 0.00 6.17 -0.58 -2.68 115.15 116.97 3afe h HIS 256 Ca -0.01 -0.00 0.10 0.00 0.71 0.00 0.00 60.37 61.17 3afe h HIS 256 Cb 0.10 0.04 -0.08 0.00 2.52 0.00 0.00 27.41 29.99 3afe h HIS 256 CO -0.06 0.01 0.51 0.28 0.71 0.00 0.00 177.93 179.38 3afe h VAL 257 N -0.22 0.91 0.00 5.26 2.07 -1.00 0.17 116.25 123.43 3afe h VAL 257 Ca -0.01 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.09 3afe h VAL 257 Cb 0.18 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 3afe h VAL 257 CO 0.02 0.15 -0.64 -0.33 0.02 0.00 0.00 177.57 176.79 3afe h GLU 258 N 0.83 0.00 0.05 1.57 5.08 -1.30 -1.59 114.58 119.21 3afe h GLU 258 Ca 0.42 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3afe h GLU 258 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3afe h GLU 258 CO -0.25 0.64 -0.02 1.25 -1.00 0.00 0.00 179.01 179.63 3afe h HIS 259 N 0.00 -0.06 -0.72 4.33 2.76 -1.01 -3.35 115.15 117.10 3afe h HIS 259 Ca -0.01 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 3afe h HIS 259 Cb 1.14 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 30.09 3afe h HIS 259 CO 0.00 0.59 0.35 0.37 -1.30 0.00 0.00 177.93 177.93 3afe h GLN 260 N -0.85 1.02 -1.00 5.26 5.75 -0.72 -2.84 115.11 121.73 3afe h GLN 260 Ca -0.01 -0.14 0.26 0.00 -0.15 0.00 0.00 58.65 58.62 3afe h GLN 260 Cb 0.67 -0.19 -0.07 0.00 1.07 0.00 0.00 27.48 28.96 3afe h GLN 260 CO 0.01 0.78 0.68 0.78 -2.65 0.00 0.00 178.83 178.43 3afe h GLY 261 N 1.07 0.64 0.63 2.39 0.00 -1.42 -0.95 103.07 105.43 3afe h GLY 261 Ca 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 3afe h GLY 261 CO -0.03 -0.05 -0.00 0.50 0.00 0.00 0.00 176.54 176.96 3afe h LYS 262 N 0.24 -0.01 -0.63 4.80 1.57 -1.66 -0.97 116.57 119.90 3afe h LYS 262 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 3afe h LYS 262 Cb 1.60 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.88 3afe h LYS 262 CO -0.15 0.36 0.41 -0.09 -0.57 0.00 0.00 179.45 179.42 3afe h ARG 263 N -0.37 0.83 0.13 3.15 1.12 -1.34 -1.45 114.38 116.45 3afe h ARG 263 Ca -0.00 -0.05 -0.26 0.00 -1.11 0.00 0.00 59.98 58.55 3afe h ARG 263 Cb 0.37 -0.19 0.03 0.00 -0.01 0.00 0.00 29.97 30.17 3afe h ARG 263 CO 0.00 0.56 -1.11 0.28 -3.11 0.00 0.00 179.97 176.59 3afe h VAL 264 N 0.86 1.34 -0.62 0.20 2.07 -1.31 -2.93 116.25 115.86 3afe h VAL 264 Ca 0.23 -2.45 -0.06 0.00 0.82 0.00 0.00 66.70 65.24 3afe h VAL 264 Cb -0.09 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 3afe h VAL 264 CO -0.05 0.73 0.14 0.03 0.02 0.00 0.00 177.57 178.44 3afe h ARG 265 N 0.09 0.97 -0.22 1.57 3.08 -1.11 -2.96 114.38 115.79 3afe h ARG 265 Ca -0.17 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.61 3afe h ARG 265 Cb 1.82 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.72 3afe h ARG 265 CO 0.21 0.87 -0.08 0.00 -1.07 0.00 0.00 179.97 179.90 3afe h ALA 266 N 1.22 1.45 -0.40 0.04 0.00 -1.28 -2.30 119.26 118.00 3afe h ALA 266 Ca 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3afe h ALA 266 Cb 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3afe h ALA 266 CO 0.00 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3afe n ALA 267 N -2.49 3.26 0.76 0.00 0.00 -1.11 -4.25 120.51 116.69 3afe n ALA 267 Ca 0.00 -1.21 0.09 0.00 0.00 0.00 0.00 53.44 52.32 3afe n ALA 267 Cb 0.26 -1.06 0.27 0.00 0.00 0.00 0.00 19.45 18.91 3afe n ALA 267 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3afe n PHE 268 N 0.51 0.44 0.00 0.00 -0.00 -0.86 -2.28 117.46 115.26 3afe n PHE 268 Ca 0.18 -0.22 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 3afe n PHE 268 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.29 3afe n PHE 268 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3afe n ALA 269 N 0.76 0.00 0.00 3.13 0.00 -1.26 -5.06 120.51 118.08 3afe n ALA 269 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3afe n ALA 269 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3afe n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3afe n GLY 270 N -0.69 4.02 2.73 0.00 0.00 -1.26 -5.01 105.19 104.97 3afe n GLY 270 Ca 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 3afe n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3afe s ALA 273 N -0.45 -4.18 -0.18 4.61 0.00 -1.26 -5.07 121.76 115.24 3afe s ALA 273 Ca 0.00 0.67 -0.13 0.00 0.00 0.00 0.00 51.96 52.50 3afe s ALA 273 Cb 0.00 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.11 3afe s ALA 273 CO 0.00 -2.48 0.27 0.15 0.00 0.00 0.00 175.76 173.69 3afe s LYS 274 N 1.28 4.22 0.33 0.00 -0.14 -0.97 -4.96 119.74 119.51 3afe s LYS 274 Ca 0.21 0.02 -0.26 0.00 -1.36 0.00 0.00 55.97 54.59 3afe s LYS 274 Cb 0.08 -3.45 -0.10 0.00 -1.68 0.00 0.00 37.83 32.69 3afe s LYS 274 CO -0.11 0.20 0.96 0.34 -0.76 0.00 0.00 175.35 175.99 3afe s ASP 275 N 0.57 7.25 -0.50 2.83 3.68 -1.26 -4.56 116.67 124.67 3afe s ASP 275 Ca 0.15 1.88 0.06 0.00 2.13 0.00 0.00 52.55 56.76 3afe s ASP 275 Cb -0.13 -2.58 0.22 0.00 -1.45 0.00 0.00 42.92 38.98 3afe s ASP 275 CO 0.03 -0.13 0.53 -0.67 0.13 0.00 0.00 175.17 175.05 3afe n ASP 276 N 0.47 1.31 -0.17 -0.34 4.64 -1.26 -4.91 116.55 116.29 3afe n ASP 276 Ca 0.02 -2.87 -0.07 0.00 -1.38 0.00 0.00 54.79 50.49 3afe n ASP 276 Cb 0.50 -0.64 0.08 0.00 -1.04 0.00 0.00 41.12 40.01 3afe n ASP 276 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3afe h PRO 277 N 4.65 0.96 -0.74 -0.67 0.11 -2.00 -3.14 132.00 131.17 3afe h PRO 277 Ca 0.16 -0.29 0.09 0.00 0.11 0.00 0.00 66.00 66.07 3afe h PRO 277 Cb 0.82 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.76 3afe h PRO 277 CO 0.57 0.96 0.39 0.35 -0.21 0.00 0.00 178.00 180.05 3afe h PHE 278 N 0.88 0.69 -0.10 0.65 3.57 -1.99 -0.20 116.94 120.45 3afe h PHE 278 Ca 0.16 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 3afe h PHE 278 Cb 0.53 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3afe h PHE 278 CO 0.03 0.26 -0.29 0.00 -2.23 0.00 0.00 178.31 176.09 3afe h ALA 279 N 1.43 1.34 0.08 2.41 0.00 -1.96 -1.90 119.26 120.67 3afe h ALA 279 Ca 0.36 -0.31 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 3afe h ALA 279 Cb 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3afe h ALA 279 CO -0.26 0.46 -1.43 0.87 0.00 0.00 0.00 179.25 178.89 3afe h LYS 280 N 0.16 0.18 -0.80 0.00 1.57 -1.37 -2.90 116.57 113.40 3afe h LYS 280 Ca 0.02 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.53 3afe h LYS 280 Cb 0.60 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.97 3afe h LYS 280 CO 0.04 1.03 0.52 0.28 -0.57 0.00 0.00 179.45 180.75 3afe h VAL 281 N 0.05 1.13 -0.29 0.50 2.07 -0.91 -0.01 116.25 118.79 3afe h VAL 281 Ca -0.20 -0.35 -0.15 0.00 0.82 0.00 0.00 66.70 66.83 3afe h VAL 281 Cb 1.97 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3afe h VAL 281 CO 0.15 0.18 -0.42 -0.09 0.02 0.00 0.00 177.57 177.41 3afe h ARG 282 N 1.01 0.73 -0.03 1.57 2.43 -1.36 -1.46 114.38 117.27 3afe h ARG 282 Ca 0.32 -0.39 -0.25 0.00 -0.81 0.00 0.00 59.98 58.85 3afe h ARG 282 Cb -0.00 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3afe h ARG 282 CO -0.11 1.01 -0.96 0.82 -1.51 0.00 0.00 179.97 179.22 3afe h ILE 283 N 0.59 1.30 -0.49 1.20 2.04 -1.35 -2.81 117.51 118.00 3afe h ILE 283 Ca 0.04 -2.23 -0.00 0.00 1.00 0.00 0.00 64.86 63.67 3afe h ILE 283 Cb 0.97 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 3afe h ILE 283 CO 0.09 0.69 0.30 0.00 0.00 0.00 0.00 178.15 179.23 3afe h ALA 284 N 0.52 0.62 -0.18 1.87 0.00 -0.86 -1.61 119.26 119.61 3afe h ALA 284 Ca -0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3afe h ALA 284 Cb 1.61 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3afe h ALA 284 CO 0.19 0.10 0.03 0.93 0.00 0.00 0.00 179.25 180.50 3afe h GLU 285 N 0.65 0.30 -0.10 0.00 5.08 -1.31 -1.14 114.58 118.07 3afe h GLU 285 Ca 0.18 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3afe h GLU 285 Cb -0.02 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3afe h GLU 285 CO -0.03 0.47 0.06 0.00 -1.00 0.00 0.00 179.01 178.51 3afe h ALA 286 N 0.82 0.13 -0.83 3.43 0.00 -1.50 0.40 119.26 121.70 3afe h ALA 286 Ca 0.05 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3afe h ALA 286 Cb 0.31 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3afe h ALA 286 CO 0.00 -0.38 0.52 0.00 0.00 0.00 0.00 179.25 179.40 3afe h ALA 287 N 1.02 1.12 -0.42 0.00 0.00 -1.23 0.46 119.26 120.20 3afe h ALA 287 Ca 0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3afe h ALA 287 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3afe h ALA 287 CO -0.01 0.29 -0.30 1.03 0.00 0.00 0.00 179.25 180.26 3afe h SER 288 N 0.97 0.98 -0.08 0.00 0.87 -0.91 -0.39 113.55 114.99 3afe h SER 288 Ca 0.35 -0.41 -0.17 0.00 -1.23 0.00 0.00 61.79 60.33 3afe h SER 288 Cb 0.11 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3afe h SER 288 CO -0.15 1.20 -0.54 0.44 -0.53 0.00 0.00 176.83 177.25 3afe h ASP 289 N 0.79 0.74 -0.30 6.23 3.32 -0.34 -0.96 116.42 125.89 3afe h ASP 289 Ca 0.08 -0.39 -0.06 0.00 0.02 0.00 0.00 57.03 56.68 3afe h ASP 289 Cb 0.88 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3afe h ASP 289 CO 0.08 1.13 -0.05 0.40 -1.72 0.00 0.00 179.24 179.09 3afe h ILE 290 N 0.51 1.27 -0.87 0.35 2.04 -0.06 -1.15 117.51 119.60 3afe h ILE 290 Ca 0.01 -1.05 0.11 0.00 1.00 0.00 0.00 64.86 64.93 3afe h ILE 290 Cb 1.11 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 3afe h ILE 290 CO 0.11 0.34 0.56 -0.78 0.00 0.00 0.00 178.15 178.38 3afe h ASP 291 N 0.35 0.73 -0.12 1.72 3.58 -0.96 -1.32 116.42 120.40 3afe h ASP 291 Ca 0.08 0.03 -0.21 0.00 0.42 0.00 0.00 57.03 57.35 3afe h ASP 291 Cb 0.52 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.45 3afe h ASP 291 CO 0.02 0.41 -0.72 0.00 -2.88 0.00 0.00 179.24 176.08 3afe h ALA 292 N 1.58 0.39 -0.59 -0.78 0.00 -0.88 0.31 119.26 119.30 3afe h ALA 292 Ca 0.41 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.80 3afe h ALA 292 Cb 0.50 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3afe h ALA 292 CO -0.18 0.69 0.29 0.00 0.00 0.00 0.00 179.25 180.06 3afe h ALA 293 N 0.65 0.77 -0.12 0.00 0.00 -0.58 -2.83 119.26 117.15 3afe h ALA 293 Ca -0.03 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3afe h ALA 293 Cb 1.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3afe h ALA 293 CO 0.15 -0.06 -0.30 2.35 0.00 0.00 0.00 179.25 181.39 3afe h TRP 294 N 0.55 0.53 -0.38 0.00 2.91 -1.03 -1.98 115.95 116.54 3afe h TRP 294 Ca 0.27 -0.20 0.08 0.00 1.13 0.00 0.00 58.89 60.17 3afe h TRP 294 Cb 0.20 -0.09 -0.08 0.00 -0.51 0.00 0.00 29.16 28.67 3afe h TRP 294 CO -0.10 0.91 -0.21 0.00 -1.03 0.00 0.00 178.44 178.00 3afe h ARG 295 N -0.01 -0.15 0.02 2.65 3.08 -0.90 -1.13 114.38 117.95 3afe h ARG 295 Ca -0.00 0.01 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 3afe h ARG 295 Cb 0.90 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 3afe h ARG 295 CO 0.06 -0.10 -1.14 -0.56 -1.07 0.00 0.00 179.97 177.17 3afe h GLN 296 N -0.15 0.04 -0.42 0.04 3.07 -1.57 0.83 115.11 116.95 3afe h GLN 296 Ca 0.19 -0.08 -0.00 0.00 0.09 0.00 0.00 58.65 58.85 3afe h GLN 296 Cb 0.44 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.01 3afe h GLN 296 CO -0.47 0.97 0.25 1.25 0.09 0.00 0.00 178.83 180.92 3afe h LEU 297 N 0.01 0.50 0.00 0.06 5.85 -1.14 -1.97 115.31 118.63 3afe h LEU 297 Ca -0.07 -0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.40 3afe h LEU 297 Cb 1.83 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.71 3afe h LEU 297 CO 0.13 0.41 -1.24 -0.29 -0.34 0.00 0.00 178.44 177.11 3afe h ILE 298 N 0.55 0.93 -0.42 4.05 6.09 -1.28 -3.26 117.51 124.18 3afe h ILE 298 Ca 0.15 -2.55 -0.04 0.00 -1.37 0.00 0.00 64.86 61.05 3afe h ILE 298 Cb -0.01 2.39 -0.02 0.00 0.47 0.00 0.00 36.82 39.66 3afe h ILE 298 CO -0.03 0.53 0.11 1.23 -3.07 0.00 0.00 178.15 176.92 3afe h GLY 299 N 3.46 0.72 1.09 8.18 0.00 -0.74 0.28 103.07 116.05 3afe h GLY 299 Ca -0.13 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 3afe h GLY 299 CO 0.08 0.42 0.42 3.43 0.00 0.00 0.00 176.54 180.89 3afe h ASN 300 N 0.54 1.07 -0.61 0.19 -0.26 -1.48 0.27 115.58 115.31 3afe h ASN 300 Ca 0.13 -0.11 -0.10 0.00 -0.56 0.00 0.00 56.30 55.66 3afe h ASN 300 Cb 0.30 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 3afe h ASN 300 CO 0.00 0.88 -0.00 0.58 -1.06 0.00 0.00 177.43 177.83 3afe h VAL 301 N 1.18 1.27 -0.42 2.81 2.07 -1.54 -1.64 116.25 119.97 3afe h VAL 301 Ca 0.29 -1.16 -0.15 0.00 0.82 0.00 0.00 66.70 66.50 3afe h VAL 301 Cb 0.08 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3afe h VAL 301 CO -0.04 0.42 -0.34 0.28 0.02 0.00 0.00 177.57 177.92 3afe h SER 302 N 0.98 1.02 -0.64 0.57 0.02 -0.39 -1.29 113.55 113.81 3afe h SER 302 Ca 0.17 -0.44 -0.07 0.00 -0.84 0.00 0.00 61.79 60.60 3afe h SER 302 Cb 0.57 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3afe h SER 302 CO 0.03 1.25 0.11 0.44 -1.14 0.00 0.00 176.83 177.52 3afe h ASP 303 N 0.80 1.01 0.26 3.07 5.19 -0.43 0.82 116.42 127.15 3afe h ASP 303 Ca 0.08 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.22 3afe h ASP 303 Cb 0.93 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.17 3afe h ASP 303 CO 0.09 1.01 -0.12 -0.33 -3.12 0.00 0.00 179.24 176.77 3afe h GLU 304 N 0.98 -0.34 -0.72 3.56 5.08 -1.19 -2.73 114.58 119.22 3afe h GLU 304 Ca 0.20 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3afe h GLU 304 Cb 0.42 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3afe h GLU 304 CO 0.01 -0.13 0.37 -0.92 -1.00 0.00 0.00 179.01 177.34 3afe h TYR 305 N -0.48 1.00 -0.80 4.33 3.20 -1.12 -2.44 116.97 120.66 3afe h TYR 305 Ca -0.04 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 3afe h TYR 305 Cb 0.36 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 3afe h TYR 305 CO -0.02 0.71 0.50 0.00 -1.64 0.00 0.00 178.16 177.71 3afe h ALA 306 N 1.39 1.37 -0.08 1.82 0.00 -0.75 -0.26 119.26 122.75 3afe h ALA 306 Ca 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3afe h ALA 306 Cb 0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3afe h ALA 306 CO -0.04 0.56 0.03 -0.07 0.00 0.00 0.00 179.25 179.73 3afe h LEU 307 N 1.10 0.12 -0.84 0.00 3.38 -1.13 -3.12 115.31 114.81 3afe h LEU 307 Ca 0.29 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3afe h LEU 307 Cb -0.07 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3afe h LEU 307 CO -0.06 0.28 0.25 -0.07 0.09 0.00 0.00 178.44 178.94 3afe h LEU 308 N -0.05 1.03 0.00 1.67 3.38 -0.99 -0.03 115.31 120.32 3afe h LEU 308 Ca 0.03 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3afe h LEU 308 Cb 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3afe h LEU 308 CO -0.00 0.94 0.00 0.00 0.09 0.00 0.00 178.44 179.47 3afe n ALA 309 N -2.45 1.88 -0.80 1.53 0.00 -0.16 -1.45 120.51 119.05 3afe n ALA 309 Ca 0.06 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.50 3afe n ALA 309 Cb 0.21 -1.27 0.14 0.00 0.00 0.00 0.00 19.45 18.53 3afe n ALA 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3afe n ALA 310 N -1.33 2.37 -0.91 0.00 0.00 -0.81 -4.97 120.51 114.86 3afe n ALA 310 Ca 0.07 -2.17 0.00 0.00 0.00 0.00 0.00 53.44 51.34 3afe n ALA 310 Cb 0.15 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3afe n ALA 310 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3afe n GLY 311 N -0.93 0.46 3.91 0.00 0.00 -0.53 -5.00 105.19 103.10 3afe n GLY 311 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 3afe n GLY 311 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3afe s LYS 312 N -0.58 3.03 0.22 1.61 1.02 -0.09 -4.98 119.74 119.97 3afe s LYS 312 Ca 0.00 0.09 -0.02 0.00 0.02 0.00 0.00 55.97 56.06 3afe s LYS 312 Cb 0.00 -2.26 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 3afe s LYS 312 CO 0.00 -0.66 0.43 -1.21 -0.92 0.00 0.00 175.35 173.00 3afe s GLU 313 N -5.00 3.57 -0.38 1.68 2.02 -1.26 -3.95 118.70 115.38 3afe s GLU 313 Ca 0.53 -0.21 -0.21 0.00 0.02 0.00 0.00 54.97 55.10 3afe s GLU 313 Cb -0.11 -2.79 0.01 0.00 0.10 0.00 0.00 34.13 31.35 3afe s GLU 313 CO 0.46 0.36 0.67 0.42 0.02 0.00 0.00 175.26 177.19 3afe s ILE 314 N -1.90 4.83 0.62 -1.63 1.01 -1.26 -4.94 121.20 117.93 3afe s ILE 314 Ca 0.40 0.54 -0.18 0.00 0.00 0.00 0.00 60.65 61.41 3afe s ILE 314 Cb -0.11 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 3afe s ILE 314 CO 0.29 -0.42 1.24 -2.84 0.00 0.00 0.00 174.94 173.20 3afe s PRO 315 N 2.84 2.80 0.45 2.79 0.02 -1.26 -4.91 135.00 137.74 3afe s PRO 315 Ca 0.26 1.90 0.14 0.00 0.02 0.00 0.00 61.00 63.32 3afe s PRO 315 Cb -0.14 -1.90 1.00 0.00 0.02 0.00 0.00 34.50 33.48 3afe s PRO 315 CO 0.17 -1.36 2.00 0.35 -0.33 0.00 0.00 177.00 177.83 3afe h PHE 316 N 0.73 0.04 -0.06 6.54 3.57 -2.00 -2.72 116.94 123.05 3afe h PHE 316 Ca -0.51 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 60.90 3afe h PHE 316 Cb 1.31 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 3afe h PHE 316 CO 0.45 0.19 -0.37 1.05 -2.23 0.00 0.00 178.31 177.39 3afe h GLU 317 N 0.04 0.11 0.05 1.11 -0.00 -1.99 0.52 114.58 114.43 3afe h GLU 317 Ca 0.01 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.36 59.32 3afe h GLU 317 Cb 0.29 -0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.04 3afe h GLU 317 CO 0.02 0.48 -0.03 1.25 -0.00 0.00 0.00 179.01 180.73 3afe h LEU 318 N 0.10 -0.06 -1.13 3.06 5.85 -1.86 0.81 115.31 122.08 3afe h LEU 318 Ca 0.01 -0.26 0.13 0.00 0.84 0.00 0.00 57.88 58.59 3afe h LEU 318 Cb 0.71 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 3afe h LEU 318 CO 0.05 0.23 0.60 0.03 -0.34 0.00 0.00 178.44 179.02 3afe h ARG 319 N -0.36 0.85 -0.23 1.25 3.08 -1.40 0.77 114.38 118.33 3afe h ARG 319 Ca -0.01 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 3afe h ARG 319 Cb 0.32 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3afe h ARG 319 CO 0.01 0.56 -0.34 0.00 -1.07 0.00 0.00 179.97 179.13 3afe h ALA 320 N 1.57 0.35 -0.91 0.04 0.00 -0.78 -2.35 119.26 117.18 3afe h ALA 320 Ca 0.47 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3afe h ALA 320 Cb 0.57 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3afe h ALA 320 CO -0.24 0.41 0.53 0.00 0.00 0.00 0.00 179.25 179.95 3afe h ARG 321 N 0.34 1.25 -0.47 0.00 3.08 -0.04 -1.68 114.38 116.85 3afe h ARG 321 Ca 0.02 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 59.99 3afe h ARG 321 Cb 0.92 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 30.68 3afe h ARG 321 CO 0.08 0.89 0.22 0.00 -1.07 0.00 0.00 179.97 180.08 3afe h ALA 322 N 1.29 0.59 -0.50 0.04 0.00 0.59 -0.62 119.26 120.65 3afe h ALA 322 Ca 0.32 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 3afe h ALA 322 Cb -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3afe h ALA 322 CO -0.06 -0.15 0.07 0.00 0.00 0.00 0.00 179.25 179.11 3afe h ARG 323 N 0.43 0.83 -0.51 0.00 2.47 -1.06 -0.13 114.38 116.41 3afe h ARG 323 Ca 0.21 -0.23 -0.09 0.00 -1.26 0.00 0.00 59.98 58.61 3afe h ARG 323 Cb 0.15 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 3afe h ARG 323 CO -0.17 0.84 -0.05 0.07 0.56 0.00 0.00 179.97 181.22 3afe h ARG 324 N 0.71 0.90 -0.01 0.04 0.11 -1.05 -2.83 114.38 112.25 3afe h ARG 324 Ca 0.15 -0.28 -0.12 0.00 0.10 0.00 0.00 59.98 59.83 3afe h ARG 324 Cb 0.42 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.40 3afe h ARG 324 CO 0.01 0.92 -0.55 -0.44 0.10 0.00 0.00 179.97 180.02 3afe h ASP 325 N 0.82 0.04 -0.04 0.08 3.32 -0.97 -2.75 116.42 116.92 3afe h ASP 325 Ca 0.15 -0.02 -0.23 0.00 0.02 0.00 0.00 57.03 56.94 3afe h ASP 325 Cb 0.55 -0.01 0.02 0.00 0.22 0.00 0.00 39.33 40.11 3afe h ASP 325 CO 0.03 0.58 -0.88 -0.61 -1.72 0.00 0.00 179.24 176.63 3afe h GLN 326 N 0.03 0.66 0.00 3.56 -0.00 -0.84 0.12 115.11 118.64 3afe h GLN 326 Ca -0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 58.65 57.98 3afe h GLN 326 Cb 0.97 0.18 0.00 0.00 0.00 0.00 0.00 27.48 28.63 3afe h GLN 326 CO 0.07 1.26 0.00 -0.39 0.00 0.00 0.00 178.83 179.77 3afe h VAL 327 N 0.32 0.00 0.18 2.39 -1.51 -1.55 -2.78 116.25 113.31 3afe h VAL 327 Ca -0.10 -0.70 -0.31 0.00 -1.23 0.00 0.00 66.70 64.36 3afe h VAL 327 Cb 1.54 1.69 0.02 0.00 -2.13 0.00 0.00 31.29 32.41 3afe h VAL 327 CO 0.18 0.00 -1.41 -0.09 -1.23 0.00 0.00 177.57 175.02 3afe h ARG 328 N 0.00 0.38 -0.33 5.19 1.12 -1.34 -2.65 114.38 116.75 3afe h ARG 328 Ca 0.00 -0.65 0.01 0.00 -1.11 0.00 0.00 59.98 58.23 3afe h ARG 328 Cb 0.71 0.24 -0.02 0.00 -0.01 0.00 0.00 29.97 30.89 3afe h ARG 328 CO 0.00 1.30 0.21 0.00 -3.11 0.00 0.00 179.97 178.37 3afe h ALA 329 N 0.38 0.42 -0.20 2.80 0.00 -0.59 -1.29 119.26 120.78 3afe h ALA 329 Ca -0.21 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3afe h ALA 329 Cb 2.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.70 3afe h ALA 329 CO 0.23 -0.14 -0.06 1.15 0.00 0.00 0.00 179.25 180.43 3afe h THR 330 N 0.43 0.77 -0.81 0.00 2.02 -1.51 -1.35 112.91 112.46 3afe h THR 330 Ca 0.13 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.37 3afe h THR 330 Cb -0.03 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 3afe h THR 330 CO -0.04 0.00 0.49 1.23 0.37 0.00 0.00 175.52 177.56 3afe h GLY 331 N -0.02 1.21 1.01 2.16 0.00 -1.23 -1.91 103.07 104.29 3afe h GLY 331 Ca 0.10 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 3afe h GLY 331 CO -0.22 0.23 -0.08 3.21 0.00 0.00 0.00 176.54 179.68 3afe h ARG 332 N 0.89 0.84 -0.31 4.80 3.08 -0.92 -0.75 114.38 122.01 3afe h ARG 332 Ca 0.35 -0.31 0.02 0.00 0.07 0.00 0.00 59.98 60.12 3afe h ARG 332 Cb 0.18 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3afe h ARG 332 CO -0.18 0.94 0.15 0.77 -1.07 0.00 0.00 179.97 180.59 3afe h SER 333 N 0.68 0.23 -0.34 7.04 0.02 -1.04 -0.80 113.55 119.33 3afe h SER 333 Ca 0.12 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 3afe h SER 333 Cb 0.61 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3afe h SER 333 CO 0.04 0.17 -0.20 0.40 -1.14 0.00 0.00 176.83 176.10 3afe h ILE 334 N 0.32 1.29 -0.62 3.27 2.04 -1.20 0.24 117.51 122.85 3afe h ILE 334 Ca 0.13 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 3afe h ILE 334 Cb 0.05 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3afe h ILE 334 CO -0.09 0.43 0.36 0.00 0.00 0.00 0.00 178.15 178.85 3afe h ALA 335 N 0.77 0.79 -0.01 1.87 0.00 -1.08 -0.82 119.26 120.77 3afe h ALA 335 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3afe h ALA 335 Cb 0.75 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3afe h ALA 335 CO 0.06 0.29 0.00 0.77 0.00 0.00 0.00 179.25 180.37 3afe h SER 336 N 0.84 0.02 -0.69 0.00 0.02 -0.98 -2.52 113.55 110.25 3afe h SER 336 Ca 0.22 -0.24 0.11 0.00 -0.84 0.00 0.00 61.79 61.04 3afe h SER 336 Cb 0.01 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 3afe h SER 336 CO -0.04 0.26 0.29 0.40 -1.14 0.00 0.00 176.83 176.60 3afe h ILE 337 N -0.22 0.75 -0.76 3.27 2.04 -0.84 -0.62 117.51 121.13 3afe h ILE 337 Ca 0.00 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 65.80 3afe h ILE 337 Cb 0.24 0.24 -0.07 0.00 -0.74 0.00 0.00 36.82 36.49 3afe h ILE 337 CO 0.00 0.09 0.40 0.44 0.00 0.00 0.00 178.15 179.08 3afe h ASP 338 N 0.47 0.54 -0.16 1.72 5.19 -0.96 0.16 116.42 123.39 3afe h ASP 338 Ca 0.36 0.06 -0.08 0.00 -0.62 0.00 0.00 57.03 56.75 3afe h ASP 338 Cb 0.46 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.93 3afe h ASP 338 CO -0.33 0.30 -0.21 0.03 -3.12 0.00 0.00 179.24 175.92 3afe h ARG 339 N 0.67 0.42 -0.47 3.56 3.08 -0.79 -1.53 114.38 119.31 3afe h ARG 339 Ca 0.38 -0.24 0.01 0.00 0.07 0.00 0.00 59.98 60.20 3afe h ARG 339 Cb 0.39 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3afe h ARG 339 CO -0.27 0.82 0.30 -0.07 -1.07 0.00 0.00 179.97 179.68 3afe h LEU 340 N 0.05 0.51 -0.12 3.04 3.38 -0.90 -1.42 115.31 119.85 3afe h LEU 340 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3afe h LEU 340 Cb 0.77 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3afe h LEU 340 CO 0.05 0.37 0.05 0.15 0.09 0.00 0.00 178.44 179.15 3afe h PHE 341 N 0.61 0.18 -0.17 1.13 3.57 -0.92 -0.74 116.94 120.60 3afe h PHE 341 Ca 0.18 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.72 3afe h PHE 341 Cb -0.04 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 3afe h PHE 341 CO -0.05 0.28 -0.27 1.49 -2.23 0.00 0.00 178.31 177.53 3afe h GLU 342 N 0.04 -0.30 -0.47 1.11 4.81 -1.20 -2.65 114.58 115.92 3afe h GLU 342 Ca 0.04 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3afe h GLU 342 Cb 0.17 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3afe h GLU 342 CO -0.00 -0.20 0.31 0.00 -0.73 0.00 0.00 179.01 178.39 3afe h ALA 343 N 0.63 1.92 0.00 2.92 0.00 -0.98 -1.57 119.26 122.17 3afe h ALA 343 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3afe h ALA 343 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3afe h ALA 343 CO -0.35 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.33 3afe n SER 344 N -4.48 0.19 0.00 0.00 7.64 -0.31 -4.94 113.62 111.73 3afe n SER 344 Ca 0.06 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.50 3afe n SER 344 Cb 0.24 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 3afe n SER 344 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3afe n GLY 345 N -0.43 1.72 0.14 0.23 0.00 -0.59 -3.97 105.19 102.28 3afe n GLY 345 Ca 0.02 -0.58 0.01 0.00 0.00 0.00 0.00 46.02 45.47 3afe n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3afe h ALA 346 N -0.79 0.81 0.00 4.61 0.00 -1.92 -2.71 119.26 119.26 3afe h ALA 346 Ca 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3afe h ALA 346 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3afe h ALA 346 CO 0.00 0.72 -0.01 1.79 0.00 0.00 0.00 179.25 181.75 3afe h THR 347 N 0.00 0.02 0.00 0.00 1.35 -2.00 -2.75 112.91 109.53 3afe h THR 347 Ca -0.01 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3afe h THR 347 Cb 1.20 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3afe h THR 347 CO 0.07 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.35 3afe n ALA 348 N -2.10 2.23 0.21 6.62 0.00 -1.02 -3.08 120.51 123.37 3afe n ALA 348 Ca 0.01 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.45 3afe n ALA 348 Cb 0.33 -1.43 0.25 0.00 0.00 0.00 0.00 19.45 18.60 3afe n ALA 348 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3afe h LEU 349 N 0.00 0.00 -9.93 0.00 3.38 -1.61 -3.35 115.31 103.79 3afe h LEU 349 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3afe h LEU 349 Cb 0.45 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.31 3afe h LEU 349 CO 0.00 0.16 0.69 -0.24 0.09 0.00 0.00 178.44 179.15 3afe n SER 350 N -3.17 3.39 0.25 -0.43 2.88 -1.18 -4.87 113.62 110.49 3afe n SER 350 Ca 0.02 1.17 0.18 0.00 -1.33 0.00 0.00 58.87 58.91 3afe n SER 350 Cb 0.53 -1.59 0.86 0.00 -0.75 0.00 0.00 64.21 63.26 3afe n SER 350 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3afe h ASN 351 N 2.54 0.00 0.02 -3.46 2.35 -1.92 -1.11 115.58 113.99 3afe h ASN 351 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3afe h ASN 351 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 3afe h ASN 351 CO 0.62 0.00 -0.18 -1.84 -1.65 0.00 0.00 177.43 174.38 3afe n GLU 352 N -3.34 1.65 -2.41 0.81 0.00 -1.26 -4.88 120.64 111.22 3afe n GLU 352 Ca 0.01 -1.26 -0.43 0.00 0.00 0.00 0.00 57.16 55.48 3afe n GLU 352 Cb 0.37 -1.47 -0.02 0.00 0.00 0.00 0.00 31.44 30.31 3afe n GLU 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3afe s ALA 353 N -2.22 3.49 0.33 -1.84 0.00 -0.42 -4.90 121.76 116.20 3afe s ALA 353 Ca 0.27 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.55 3afe s ALA 353 Cb 0.20 -3.71 0.69 0.00 0.00 0.00 0.00 23.12 20.30 3afe s ALA 353 CO 0.42 -1.51 1.87 -1.35 0.00 0.00 0.00 175.76 175.19 3afe h PRO 354 N 8.87 0.81 -0.90 0.00 0.11 -1.89 -2.79 132.00 136.21 3afe h PRO 354 Ca -0.27 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.83 3afe h PRO 354 Cb 1.10 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.98 3afe h PRO 354 CO 1.00 0.54 0.58 0.97 -0.21 0.00 0.00 178.00 180.88 3afe h ILE 355 N 0.84 1.16 -0.10 4.15 2.10 -1.90 -0.57 117.51 123.18 3afe h ILE 355 Ca 0.44 -0.39 -0.05 0.00 1.08 0.00 0.00 64.86 65.95 3afe h ILE 355 Cb 0.53 -0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.17 3afe h ILE 355 CO -0.20 0.21 -0.15 0.06 -1.08 0.00 0.00 178.15 176.99 3afe h GLN 356 N 1.14 0.15 -0.22 2.19 -0.00 -1.63 0.53 115.11 117.27 3afe h GLN 356 Ca 0.36 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.65 58.91 3afe h GLN 356 Cb -0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.44 3afe h GLN 356 CO -0.11 0.31 -0.12 -0.09 -0.00 0.00 0.00 178.83 178.81 3afe h ARG 357 N 0.15 0.47 -0.85 0.06 2.43 -1.20 -0.86 114.38 114.57 3afe h ARG 357 Ca 0.03 -0.21 0.05 0.00 -0.81 0.00 0.00 59.98 59.04 3afe h ARG 357 Cb 0.35 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 3afe h ARG 357 CO 0.02 0.76 0.54 0.74 -1.51 0.00 0.00 179.97 180.52 3afe h PHE 358 N 0.17 1.00 0.21 2.20 0.04 -0.51 -0.19 116.94 119.84 3afe h PHE 358 Ca 0.05 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 3afe h PHE 358 Cb 0.63 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.46 3afe h PHE 358 CO 0.07 0.53 -0.10 2.35 -0.60 0.00 0.00 178.31 180.56 3afe h TRP 359 N 1.00 -0.26 -0.77 -0.55 7.01 -0.76 -0.10 115.95 121.51 3afe h TRP 359 Ca 0.36 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.32 3afe h TRP 359 Cb 0.11 0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.22 3afe h TRP 359 CO -0.03 -0.04 0.37 0.00 -2.79 0.00 0.00 178.44 175.94 3afe h ARG 360 N -0.44 1.11 -0.38 2.65 3.08 -1.02 -2.68 114.38 116.70 3afe h ARG 360 Ca -0.03 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 3afe h ARG 360 Cb 0.33 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3afe h ARG 360 CO 0.05 0.87 0.18 -0.44 -1.07 0.00 0.00 179.97 179.56 3afe h ASP 361 N 1.09 0.50 -0.16 7.04 3.32 -0.86 -1.61 116.42 125.73 3afe h ASP 361 Ca 0.26 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 3afe h ASP 361 Cb 0.13 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3afe h ASP 361 CO -0.03 0.48 -0.19 0.00 -1.72 0.00 0.00 179.24 177.78 3afe h ALA 362 N 1.04 1.08 0.00 3.45 0.00 -0.96 -1.21 119.26 122.66 3afe h ALA 362 Ca 0.13 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3afe h ALA 362 Cb 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3afe h ALA 362 CO -0.02 0.56 -0.15 0.45 0.00 0.00 0.00 179.25 180.10 3afe h HIS 363 N 0.52 0.00 0.01 0.00 3.86 -1.32 -2.14 115.15 116.09 3afe h HIS 363 Ca 0.08 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.15 3afe h HIS 363 Cb 0.62 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.10 3afe h HIS 363 CO 0.02 0.15 -0.55 0.00 0.86 0.00 0.00 177.93 178.41 3afe h ALA 364 N 1.85 0.05 -0.73 2.45 0.00 -0.82 -3.27 119.26 118.79 3afe h ALA 364 Ca -0.00 -0.56 0.10 0.00 0.00 0.00 0.00 54.91 54.45 3afe h ALA 364 Cb 0.76 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3afe h ALA 364 CO 0.02 0.30 0.48 0.78 0.00 0.00 0.00 179.25 180.83 3afe h GLY 365 N -0.21 0.86 1.66 0.00 0.00 -1.07 -2.72 103.07 101.59 3afe h GLY 365 Ca -0.07 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.06 3afe h GLY 365 CO 0.11 0.14 0.13 -0.09 0.00 0.00 0.00 176.54 176.82 3afe h ARG 366 N 0.59 0.00 0.00 4.80 9.65 -1.44 -2.30 114.38 125.69 3afe h ARG 366 Ca 0.34 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.22 3afe h ARG 366 Cb 0.52 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3afe h ARG 366 CO -0.12 0.00 0.00 -0.39 2.80 0.00 0.00 179.97 182.26 3afe h VAL 367 N 0.00 0.00 -3.12 0.20 -1.51 -1.64 -3.43 116.25 106.75 3afe h VAL 367 Ca 0.08 -0.34 -0.58 0.00 -1.23 0.00 0.00 66.70 64.63 3afe h VAL 367 Cb 0.33 1.18 0.13 0.00 -2.13 0.00 0.00 31.29 30.80 3afe h VAL 367 CO -0.00 0.00 0.21 1.57 -1.23 0.00 0.00 177.57 178.12 3afe n HIS 368 N -2.52 1.31 -0.16 5.19 -0.00 -0.87 -4.88 115.22 113.30 3afe n HIS 368 Ca 0.02 0.55 0.06 0.00 -0.00 0.00 0.00 57.72 58.35 3afe n HIS 368 Cb 0.27 -2.25 0.36 0.00 -0.00 0.00 0.00 29.99 28.37 3afe n HIS 368 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3afe h ALA 369 N 1.61 1.69 0.00 1.57 0.00 -1.91 -1.21 119.26 121.01 3afe h ALA 369 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3afe h ALA 369 Cb 1.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3afe h ALA 369 CO 0.57 0.21 0.00 0.00 0.00 0.00 0.00 179.25 180.03 3afe n ALA 370 N -2.45 1.60 0.87 0.00 0.00 -1.25 -2.52 120.51 116.76 3afe n ALA 370 Ca 0.10 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.60 3afe n ALA 370 Cb 0.20 -1.21 0.03 0.00 0.00 0.00 0.00 19.45 18.46 3afe n ALA 370 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3afe n ASN 371 N -1.49 0.72 -4.65 0.00 5.03 -0.46 -4.76 115.26 109.66 3afe n ASN 371 Ca 0.03 -0.55 -0.46 0.00 0.87 0.00 0.00 54.58 54.47 3afe n ASN 371 Cb 0.15 0.75 -0.04 0.00 -1.02 0.00 0.00 39.78 39.62 3afe n ASN 371 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3afe n ASP 372 N -1.63 3.52 0.01 6.41 2.03 -1.05 -4.86 116.55 120.99 3afe n ASP 372 Ca 0.04 0.80 -0.13 0.00 0.52 0.00 0.00 54.79 56.02 3afe n ASP 372 Cb 0.36 -1.43 -0.09 0.00 -0.72 0.00 0.00 41.12 39.24 3afe n ASP 372 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3afe h PRO 373 N 10.71 -0.02 -0.69 -0.67 0.11 -1.91 -3.29 132.00 136.25 3afe h PRO 373 Ca -0.46 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.77 3afe h PRO 373 Cb 1.26 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.29 3afe h PRO 373 CO 0.95 0.32 0.27 1.49 -0.21 0.00 0.00 178.00 180.82 3afe h GLU 374 N -0.35 0.43 -0.06 1.05 4.81 -1.98 -0.38 114.58 118.10 3afe h GLU 374 Ca -0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3afe h GLU 374 Cb 0.34 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3afe h GLU 374 CO 0.00 0.28 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.45 3afe h ARG 375 N 0.44 -0.02 -0.53 1.92 1.12 -1.97 0.22 114.38 115.56 3afe h ARG 375 Ca 0.36 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 59.16 3afe h ARG 375 Cb 0.49 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.43 3afe h ARG 375 CO -0.35 -0.02 0.04 0.00 -3.11 0.00 0.00 179.97 176.53 3afe h ALA 376 N 1.03 1.08 0.00 2.80 0.00 -1.54 -2.10 119.26 120.52 3afe h ALA 376 Ca 0.03 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3afe h ALA 376 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3afe h ALA 376 CO -0.07 0.59 -0.46 1.88 0.00 0.00 0.00 179.25 181.19 3afe h TYR 377 N 0.81 0.00 -0.04 0.00 0.05 -0.59 -2.28 116.97 114.93 3afe h TYR 377 Ca 0.16 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.69 3afe h TYR 377 Cb 0.43 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.18 3afe h TYR 377 CO 0.02 0.46 -0.95 0.28 -1.05 0.00 0.00 178.16 176.92 3afe h VAL 378 N 0.00 1.30 -0.53 -2.88 2.07 -0.30 -1.67 116.25 114.24 3afe h VAL 378 Ca -0.00 -2.21 0.07 0.00 0.82 0.00 0.00 66.70 65.38 3afe h VAL 378 Cb 1.00 2.28 -0.06 0.00 -1.52 0.00 0.00 31.29 32.99 3afe h VAL 378 CO 0.06 0.68 0.22 0.40 0.02 0.00 0.00 177.57 178.95 3afe h ILE 379 N 0.40 0.86 -0.16 4.57 2.04 -1.20 -0.99 117.51 123.03 3afe h ILE 379 Ca -0.10 -0.14 -0.16 0.00 1.00 0.00 0.00 64.86 65.45 3afe h ILE 379 Cb 1.59 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3afe h ILE 379 CO 0.18 0.08 -0.55 0.15 0.00 0.00 0.00 178.15 178.01 3afe h PHE 380 N 0.42 0.85 -0.28 1.37 3.04 -1.37 -2.95 116.94 118.02 3afe h PHE 380 Ca 0.25 -0.35 -0.00 0.00 3.98 0.00 0.00 57.97 61.85 3afe h PHE 380 Cb 0.25 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 3afe h PHE 380 CO -0.14 1.14 0.17 0.78 -2.02 0.00 0.00 178.31 178.24 3afe h GLY 381 N 0.32 0.40 -0.13 2.40 0.00 -1.27 -2.05 103.07 102.73 3afe h GLY 381 Ca -0.02 -0.16 0.14 0.00 0.00 0.00 0.00 47.33 47.29 3afe h GLY 381 CO 0.12 0.16 0.03 3.43 0.00 0.00 0.00 176.54 180.27 3afe h ASN 382 N 0.36 -0.25 -0.53 0.19 2.35 -1.19 0.06 115.58 116.56 3afe h ASN 382 Ca 0.10 0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.95 3afe h ASN 382 Cb -0.00 0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 3afe h ASN 382 CO -0.02 -0.12 0.12 -0.74 -1.65 0.00 0.00 177.43 175.02 3afe h HIS 383 N 0.13 0.95 0.00 1.19 2.76 -1.31 -0.10 115.15 118.78 3afe h HIS 383 Ca 0.36 -0.10 -0.04 0.00 -2.20 0.00 0.00 60.37 58.38 3afe h HIS 383 Cb 0.59 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 3afe h HIS 383 CO -0.37 0.80 -0.21 0.93 -1.30 0.00 0.00 177.93 177.79 3afe h GLU 384 N 0.87 0.00 0.00 5.26 4.39 -0.41 -3.15 114.58 121.54 3afe h GLU 384 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 3afe h GLU 384 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3afe h GLU 384 CO 0.00 0.21 -1.40 1.19 -1.16 0.00 0.00 179.01 177.85 3afe n PHE 385 N -3.37 0.11 0.00 4.33 0.99 -0.15 -4.98 117.46 114.39 3afe n PHE 385 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 3afe n PHE 385 Cb 0.42 -0.35 0.00 0.00 -1.00 0.00 0.00 39.48 38.55 3afe n PHE 385 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3afe n GLY 386 N 1.36 2.30 3.69 1.37 0.00 -0.21 -5.07 105.19 108.62 3afe n GLY 386 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3afe n GLY 386 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3afe n LEU 387 N 0.00 3.55 -4.75 0.99 4.77 -0.26 -4.94 117.00 116.35 3afe n LEU 387 Ca 0.00 1.15 -0.41 0.00 -0.03 0.00 0.00 56.01 56.72 3afe n LEU 387 Cb 0.00 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 39.59 3afe n LEU 387 CO 0.00 -0.69 0.88 -2.84 -1.33 0.00 0.00 177.39 173.40 3afe s PRO 388 N -2.00 4.51 0.00 3.23 0.02 -1.26 -4.26 135.00 135.24 3afe s PRO 388 Ca 0.58 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.55 3afe s PRO 388 Cb -0.55 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 30.80 3afe s PRO 388 CO 0.60 -0.00 0.00 -2.30 -0.33 0.00 0.00 177.00 174.97 3afe n PRO 389 N 1.56 3.76 0.00 5.54 -0.02 -1.26 -5.02 135.00 139.56 3afe n PRO 389 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3afe n PRO 389 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 3afe n PRO 389 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3afe n THR 392 N 0.00 0.00 -1.38 3.45 5.66 -1.26 -5.20 114.28 115.56 3afe n THR 392 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3afe n THR 392 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3afe n THR 392 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 3afe n MET 393 N -1.28 0.00 -0.39 1.09 0.00 -1.26 -4.83 117.12 110.45 3afe n MET 393 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3afe n MET 393 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3afe n MET 393 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25