#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o6g s PRO 4 N 0.00 2.96 -0.10 -0.78 0.02 -1.26 -5.02 135.00 130.82 2o6g s PRO 4 Ca 0.00 0.86 -0.17 0.00 0.02 0.00 0.00 61.00 61.71 2o6g s PRO 4 Cb 0.00 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 2o6g s PRO 4 CO 0.00 -1.06 0.44 0.21 -0.33 0.00 0.00 177.00 176.27 2o6g s LYS 5 N -5.09 4.27 0.51 5.54 2.20 -1.26 -5.05 119.74 120.86 2o6g s LYS 5 Ca 0.58 0.40 -0.21 0.00 -0.36 0.00 0.00 55.97 56.37 2o6g s LYS 5 Cb -0.13 -3.40 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 2o6g s LYS 5 CO 0.55 0.25 1.21 -2.14 -0.36 0.00 0.00 175.35 174.86 2o6g s PRO 6 N 0.35 3.42 0.07 4.03 0.02 -1.26 -5.01 135.00 136.61 2o6g s PRO 6 Ca 0.24 1.87 -0.15 0.00 0.02 0.00 0.00 61.00 62.98 2o6g s PRO 6 Cb -0.15 -2.23 -0.06 0.00 0.02 0.00 0.00 34.50 32.07 2o6g s PRO 6 CO 0.10 -0.86 0.49 1.03 -0.33 0.00 0.00 177.00 177.43 2o6g s ARG 7 N -2.94 4.00 0.20 5.54 3.00 -1.26 -5.01 118.95 122.48 2o6g s ARG 7 Ca 0.69 0.50 -0.09 0.00 0.00 0.00 0.00 55.73 56.83 2o6g s ARG 7 Cb -0.31 -3.13 0.14 0.00 0.00 0.00 0.00 34.95 31.65 2o6g s ARG 7 CO 0.36 0.61 1.78 0.97 0.00 0.00 0.00 175.30 179.02 2o6g h ILE 8 N 3.33 1.25 -0.38 1.52 2.10 -1.99 -2.47 117.51 120.87 2o6g h ILE 8 Ca -0.50 -0.74 -0.09 0.00 1.08 0.00 0.00 64.86 64.60 2o6g h ILE 8 Cb 1.21 0.36 -0.01 0.00 -1.09 0.00 0.00 36.82 37.29 2o6g h ILE 8 CO 0.64 0.31 -0.13 -0.07 -1.08 0.00 0.00 178.15 177.81 2o6g h LEU 9 N 1.05 0.77 -0.69 2.19 3.38 -1.99 0.74 115.31 120.77 2o6g h LEU 9 Ca 0.25 -0.38 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2o6g h LEU 9 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2o6g h LEU 9 CO -0.03 0.98 -0.07 -0.65 0.09 0.00 0.00 178.44 178.76 2o6g h PRO 10 N 0.56 0.94 -0.66 1.13 0.11 -1.99 -1.35 132.00 130.74 2o6g h PRO 10 Ca 0.09 -0.32 -0.05 0.00 0.11 0.00 0.00 66.00 65.83 2o6g h PRO 10 Cb 0.66 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 2o6g h PRO 10 CO 0.05 0.97 0.20 2.35 -0.21 0.00 0.00 178.00 181.36 2o6g h TRP 11 N 0.85 1.07 -0.49 0.65 7.01 -1.28 -1.33 115.95 122.43 2o6g h TRP 11 Ca 0.14 -0.11 -0.07 0.00 2.11 0.00 0.00 58.89 60.96 2o6g h TRP 11 Cb 0.60 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 2o6g h TRP 11 CO 0.04 0.87 0.03 1.25 -2.79 0.00 0.00 178.44 177.84 2o6g h LEU 12 N 0.96 0.83 -0.86 0.65 6.46 -0.62 -1.58 115.31 121.14 2o6g h LEU 12 Ca 0.21 -0.29 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 2o6g h LEU 12 Cb 0.31 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.98 2o6g h LEU 12 CO -0.01 0.91 0.36 0.58 -0.62 0.00 0.00 178.44 179.67 2o6g h VAL 13 N 0.72 1.26 -0.66 1.05 2.07 -0.97 -0.62 116.25 119.09 2o6g h VAL 13 Ca 0.14 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 2o6g h VAL 13 Cb 0.47 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2o6g h VAL 13 CO 0.02 0.32 0.26 -1.28 0.02 0.00 0.00 177.57 176.91 2o6g h SER 14 N 1.17 0.92 -0.65 0.57 0.87 -0.77 0.41 113.55 116.07 2o6g h SER 14 Ca 0.28 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2o6g h SER 14 Cb 0.16 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2o6g h SER 14 CO -0.03 0.84 0.24 1.56 -0.53 0.00 0.00 176.83 178.91 2o6g h GLN 15 N 0.94 1.02 -0.66 2.24 1.08 -0.58 0.16 115.11 119.31 2o6g h GLN 15 Ca 0.22 -0.19 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 2o6g h GLN 15 Cb 0.22 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 2o6g h GLN 15 CO -0.02 0.85 0.23 -0.07 -0.95 0.00 0.00 178.83 178.88 2o6g h LEU 16 N 0.99 0.94 -0.23 1.46 3.38 -0.22 0.05 115.31 121.68 2o6g h LEU 16 Ca 0.22 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2o6g h LEU 16 Cb 0.24 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2o6g h LEU 16 CO -0.01 0.88 -0.27 0.44 0.09 0.00 0.00 178.44 179.57 2o6g h ASP 17 N 0.94 0.64 -0.40 -0.43 3.32 -0.34 -3.18 116.42 116.98 2o6g h ASP 17 Ca 0.21 -0.49 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 2o6g h ASP 17 Cb 0.26 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2o6g h ASP 17 CO -0.01 1.00 0.08 -0.07 -1.72 0.00 0.00 179.24 178.53 2o6g h LEU 18 N 0.29 0.68 -1.17 1.55 -0.00 -0.87 -3.47 115.31 112.33 2o6g h LEU 18 Ca 0.03 -0.12 -0.37 0.00 -0.00 0.00 0.00 57.88 57.41 2o6g h LEU 18 Cb 0.84 -0.18 0.15 0.00 -0.00 0.00 0.00 40.66 41.47 2o6g h LEU 18 CO 0.07 0.70 -0.72 0.61 -0.00 0.00 0.00 178.44 179.10 2o6g n GLY 19 N -0.86 -0.47 0.12 0.83 0.00 -0.01 -4.91 105.19 99.89 2o6g n GLY 19 Ca 0.03 0.20 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 2o6g n GLY 19 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2o6g h GLN 20 N -2.39 0.30 -6.37 1.61 5.75 -1.90 -3.45 115.11 108.66 2o6g h GLN 20 Ca -0.58 -0.51 -0.54 0.00 -0.15 0.00 0.00 58.65 56.87 2o6g h GLN 20 Cb 1.36 0.19 -0.04 0.00 1.07 0.00 0.00 27.48 30.06 2o6g h GLN 20 CO 0.54 1.19 0.13 -0.51 -2.65 0.00 0.00 178.83 177.53 2o6g s LEU 21 N -7.10 4.52 0.32 -2.39 1.43 -1.26 -5.03 118.68 109.15 2o6g s LEU 21 Ca -0.09 1.49 -0.27 0.00 -1.03 0.00 0.00 54.13 54.23 2o6g s LEU 21 Cb 0.06 -3.20 -0.09 0.00 0.03 0.00 0.00 46.19 42.99 2o6g s LEU 21 CO 0.87 0.13 1.01 -0.70 0.23 0.00 0.00 176.35 177.89 2o6g s GLU 22 N -0.62 4.54 0.00 1.70 2.12 -1.26 -3.32 118.70 121.86 2o6g s GLU 22 Ca 0.36 1.52 0.00 0.00 0.36 0.00 0.00 54.97 57.21 2o6g s GLU 22 Cb -0.21 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.26 2o6g s GLU 22 CO 0.23 0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 2o6g n GLY 23 N 0.83 2.83 3.49 -1.50 0.00 -1.26 -4.90 105.19 104.68 2o6g n GLY 23 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2o6g n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o6g s VAL 24 N -1.95 5.22 0.07 1.61 1.01 -1.21 -4.10 120.40 121.05 2o6g s VAL 24 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 2o6g s VAL 24 Cb 0.00 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.56 2o6g s VAL 24 CO 0.00 -0.22 0.52 0.00 0.00 0.00 0.00 175.10 175.40 2o6g s ALA 25 N 1.82 -1.32 0.43 5.51 0.00 -1.21 -4.81 121.76 122.17 2o6g s ALA 25 Ca 0.07 0.51 -0.24 0.00 0.00 0.00 0.00 51.96 52.30 2o6g s ALA 25 Cb -0.18 0.49 -0.08 0.00 0.00 0.00 0.00 23.12 23.35 2o6g s ALA 25 CO 0.11 -0.56 1.19 -1.58 0.00 0.00 0.00 175.76 174.93 2o6g s TRP 26 N -2.79 2.93 -2.29 0.00 0.52 -1.26 -0.51 118.94 115.54 2o6g s TRP 26 Ca -0.03 1.52 0.21 0.00 0.02 0.00 0.00 56.10 57.81 2o6g s TRP 26 Cb -0.00 -3.45 0.34 0.00 -1.15 0.00 0.00 33.47 29.21 2o6g s TRP 26 CO -0.04 -1.57 1.30 1.33 0.02 0.00 0.00 176.95 177.99 2o6g n VAL 27 N -0.17 0.42 -3.77 4.03 0.24 0.43 -4.83 118.33 114.67 2o6g n VAL 27 Ca 0.06 -0.71 -0.10 0.00 -2.04 0.00 0.00 64.34 61.55 2o6g n VAL 27 Cb 0.47 1.05 -0.04 0.00 -1.47 0.00 0.00 33.84 33.84 2o6g n VAL 27 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2o6g s ASN 28 N -1.45 -0.19 0.16 -1.34 6.03 -1.24 -5.00 114.94 111.91 2o6g s ASN 28 Ca 0.33 -0.54 -0.09 0.00 -1.03 0.00 0.00 52.86 51.52 2o6g s ASN 28 Cb 0.20 0.54 0.01 0.00 -3.03 0.00 0.00 41.25 38.97 2o6g s ASN 28 CO 0.28 -1.00 1.52 0.50 -2.03 0.00 0.00 177.10 176.37 2o6g h LYS 29 N 2.29 0.93 0.00 3.55 1.63 -1.94 -2.76 116.57 120.27 2o6g h LYS 29 Ca -0.30 -0.44 0.00 0.00 -0.85 0.00 0.00 60.65 59.06 2o6g h LYS 29 Cb 1.25 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2o6g h LYS 29 CO 0.41 1.10 0.00 -1.13 -3.45 0.00 0.00 179.45 176.38 2o6g n SER 30 N -4.08 0.00 -3.61 4.20 3.41 -1.26 -4.86 113.62 107.42 2o6g n SER 30 Ca -0.01 0.22 -0.21 0.00 -0.26 0.00 0.00 58.87 58.61 2o6g n SER 30 Cb 0.50 -0.30 0.01 0.00 -0.26 0.00 0.00 64.21 64.16 2o6g n SER 30 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2o6g n ARG 31 N -1.30 -1.34 0.00 4.33 1.74 -1.04 -4.87 116.66 114.18 2o6g n ARG 31 Ca 0.03 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.96 2o6g n ARG 31 Cb 0.05 -3.49 0.00 0.00 -1.02 0.00 0.00 32.46 27.99 2o6g n ARG 31 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2o6g n THR 32 N -2.84 0.00 -5.06 0.55 -2.24 -1.26 -5.02 114.28 98.41 2o6g n THR 32 Ca -0.19 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.27 2o6g n THR 32 Cb 0.62 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.69 2o6g n THR 32 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2o6g s ARG 33 N -0.27 2.87 0.24 -0.78 0.52 -1.26 -0.19 118.95 120.08 2o6g s ARG 33 Ca 0.00 -0.80 0.01 0.00 -0.52 0.00 0.00 55.73 54.42 2o6g s ARG 33 Cb 0.00 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 33.06 2o6g s ARG 33 CO 0.00 0.34 0.09 -0.59 0.02 0.00 0.00 175.30 175.16 2o6g s PHE 34 N -0.02 1.44 0.10 -0.53 -0.12 -0.74 -0.43 117.98 117.68 2o6g s PHE 34 Ca -0.06 -1.20 0.08 0.00 -0.05 0.00 0.00 56.93 55.70 2o6g s PHE 34 Cb -0.15 -0.82 -0.03 0.00 -0.63 0.00 0.00 43.02 41.39 2o6g s PHE 34 CO 0.05 -0.37 -0.21 -0.98 -0.05 0.00 0.00 175.22 173.65 2o6g s ARG 35 N -4.04 1.15 -0.07 1.99 1.70 0.33 -2.32 118.95 117.69 2o6g s ARG 35 Ca 0.36 -1.15 0.02 0.00 -0.47 0.00 0.00 55.73 54.50 2o6g s ARG 35 Cb 0.08 -1.41 0.01 0.00 -0.57 0.00 0.00 34.95 33.06 2o6g s ARG 35 CO 0.12 0.33 -0.12 0.42 -1.08 0.00 0.00 175.30 174.97 2o6g s ILE 36 N -1.13 1.17 0.27 4.99 -1.09 -0.59 -3.33 121.20 121.49 2o6g s ILE 36 Ca 0.07 -0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 57.70 2o6g s ILE 36 Cb -0.10 -1.08 -0.11 0.00 -1.58 0.00 0.00 42.46 39.59 2o6g s ILE 36 CO 0.04 0.37 1.59 -2.84 -1.23 0.00 0.00 174.94 172.87 2o6g s PRO 37 N 0.78 4.15 -0.28 2.79 0.02 -1.26 -1.66 135.00 139.53 2o6g s PRO 37 Ca -0.12 2.54 0.21 0.00 0.02 0.00 0.00 61.00 63.64 2o6g s PRO 37 Cb -0.15 -3.05 0.49 0.00 0.02 0.00 0.00 34.50 31.81 2o6g s PRO 37 CO 0.02 -0.62 1.06 1.87 -0.33 0.00 0.00 177.00 179.00 2o6g n TRP 38 N 2.57 1.28 -1.75 6.54 -0.00 -0.51 -4.85 117.44 120.74 2o6g n TRP 38 Ca 0.09 -2.36 -0.42 0.00 -0.00 0.00 0.00 57.50 54.82 2o6g n TRP 38 Cb 0.37 -0.28 -0.00 0.00 -0.00 0.00 0.00 31.31 31.40 2o6g n TRP 38 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 2o6g n LYS 39 N -0.43 2.47 -2.28 5.87 4.81 -1.26 -4.60 118.16 122.74 2o6g n LYS 39 Ca 0.09 0.87 -0.41 0.00 -0.87 0.00 0.00 58.31 57.98 2o6g n LYS 39 Cb 0.81 -2.54 -0.03 0.00 0.02 0.00 0.00 35.03 33.29 2o6g n LYS 39 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2o6g s HIS 40 N -1.08 3.32 0.37 5.64 5.65 -1.26 -4.94 115.29 122.99 2o6g s HIS 40 Ca 0.54 1.38 0.13 0.00 0.25 0.00 0.00 55.06 57.36 2o6g s HIS 40 Cb -0.51 -3.52 0.93 0.00 -1.18 0.00 0.00 32.58 28.30 2o6g s HIS 40 CO 0.63 -1.50 1.83 0.78 -0.65 0.00 0.00 174.74 175.84 2o6g h GLY 41 N 4.78 1.20 1.64 1.59 0.00 -2.00 -2.42 103.07 107.85 2o6g h GLY 41 Ca -0.46 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.61 2o6g h GLY 41 CO 0.73 -0.00 -0.03 1.04 0.00 0.00 0.00 176.54 178.28 2o6g n LEU 42 N -4.59 0.06 -4.73 3.11 4.77 -1.26 -4.86 117.00 109.49 2o6g n LEU 42 Ca 0.20 0.32 -0.34 0.00 -0.03 0.00 0.00 56.01 56.16 2o6g n LEU 42 Cb 0.62 -0.35 0.09 0.00 -2.33 0.00 0.00 43.42 41.45 2o6g n LEU 42 CO 0.28 0.01 0.79 -0.13 -1.33 0.00 0.00 177.39 177.01 2o6g s ARG 43 N -2.72 2.24 0.03 3.23 0.52 -0.91 -4.95 118.95 116.39 2o6g s ARG 43 Ca 0.23 1.70 -0.21 0.00 -0.52 0.00 0.00 55.73 56.93 2o6g s ARG 43 Cb 0.20 -1.85 -0.15 0.00 0.52 0.00 0.00 34.95 33.67 2o6g s ARG 43 CO 0.49 -1.74 1.34 0.37 0.02 0.00 0.00 175.30 175.78 2o6g h GLN 44 N -0.23 0.31 0.00 3.54 4.15 -1.90 -2.76 115.11 118.22 2o6g h GLN 44 Ca -0.47 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 58.78 2o6g h GLN 44 Cb 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 2o6g h GLN 44 CO 0.50 0.70 0.00 -0.40 -1.93 0.00 0.00 178.83 177.71 2o6g n ASP 45 N -4.60 0.00 -4.76 -0.69 5.75 -1.26 -4.76 116.55 106.23 2o6g n ASP 45 Ca -0.06 -0.59 -0.36 0.00 -0.01 0.00 0.00 54.79 53.77 2o6g n ASP 45 Cb 0.34 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.45 2o6g n ASP 45 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2o6g s ALA 46 N -2.00 2.74 -0.17 2.12 0.00 -1.04 -5.02 121.76 118.39 2o6g s ALA 46 Ca 0.19 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 2o6g s ALA 46 Cb 0.09 -3.43 0.14 0.00 0.00 0.00 0.00 23.12 19.91 2o6g s ALA 46 CO 0.14 -0.98 1.06 1.14 0.00 0.00 0.00 175.76 177.12 2o6g s GLN 47 N -3.07 0.51 0.51 0.00 -2.07 -1.26 -5.03 119.66 109.25 2o6g s GLN 47 Ca 0.72 0.06 0.46 0.00 -1.82 0.00 0.00 55.36 54.77 2o6g s GLN 47 Cb -0.30 0.24 1.58 0.00 -1.09 0.00 0.00 33.01 33.44 2o6g s GLN 47 CO 0.35 -0.17 1.42 1.04 -1.32 0.00 0.00 175.29 176.61 2o6g n GLN 48 N 0.52 -0.00 0.00 9.60 6.02 -1.26 0.15 117.38 132.42 2o6g n GLN 48 Ca -0.08 0.99 0.14 0.00 -0.01 0.00 0.00 57.00 58.04 2o6g n GLN 48 Cb 0.58 -2.28 0.82 0.00 1.02 0.00 0.00 30.24 30.38 2o6g n GLN 48 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2o6g n GLU 49 N -3.75 0.80 -0.14 -1.09 0.28 -1.26 -2.23 120.64 113.26 2o6g n GLU 49 Ca 0.41 0.01 0.11 0.00 -0.16 0.00 0.00 57.16 57.52 2o6g n GLU 49 Cb 1.85 -1.50 0.28 0.00 1.43 0.00 0.00 31.44 33.49 2o6g n GLU 49 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2o6g n ASP 50 N -1.05 2.65 -1.39 -1.84 9.92 0.12 -3.72 116.55 121.24 2o6g n ASP 50 Ca 0.20 -1.87 0.01 0.00 -0.53 0.00 0.00 54.79 52.60 2o6g n ASP 50 Cb 0.12 -0.18 0.09 0.00 -0.64 0.00 0.00 41.12 40.51 2o6g n ASP 50 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2o6g n PHE 51 N 0.97 0.43 -0.20 1.24 3.01 -0.95 -4.53 117.46 117.43 2o6g n PHE 51 Ca 0.18 -1.23 -0.07 0.00 1.01 0.00 0.00 57.45 57.34 2o6g n PHE 51 Cb 0.48 -0.21 0.02 0.00 -0.01 0.00 0.00 39.48 39.76 2o6g n PHE 51 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2o6g h GLY 52 N 1.31 0.88 1.07 1.37 0.00 -1.66 0.15 103.07 106.20 2o6g h GLY 52 Ca -0.08 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 46.67 2o6g h GLY 52 CO 0.14 0.42 -0.26 -2.22 0.00 0.00 0.00 176.54 174.63 2o6g h ILE 53 N 0.77 1.28 -0.76 2.60 5.03 -1.91 0.41 117.51 124.92 2o6g h ILE 53 Ca 0.19 -1.42 -0.02 0.00 -0.12 0.00 0.00 64.86 63.50 2o6g h ILE 53 Cb 0.14 1.29 -0.04 0.00 -3.03 0.00 0.00 36.82 35.18 2o6g h ILE 53 CO -0.02 0.48 0.41 -0.26 -0.68 0.00 0.00 178.15 178.07 2o6g h PHE 54 N 0.72 1.06 -0.40 1.37 0.04 -1.82 0.23 116.94 118.14 2o6g h PHE 54 Ca 0.08 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.69 2o6g h PHE 54 Cb 0.83 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 2o6g h PHE 54 CO 0.06 0.75 -0.25 0.37 -0.60 0.00 0.00 178.31 178.63 2o6g h GLN 55 N 1.06 0.88 -0.83 1.51 4.15 -0.44 -2.51 115.11 118.92 2o6g h GLN 55 Ca 0.27 -0.41 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 2o6g h GLN 55 Cb 0.05 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 2o6g h GLN 55 CO -0.04 1.06 0.51 0.00 -1.93 0.00 0.00 178.83 178.43 2o6g h ALA 56 N 0.80 1.05 -0.57 3.38 0.00 0.61 0.11 119.26 124.65 2o6g h ALA 56 Ca 0.08 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2o6g h ALA 56 Cb 0.83 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2o6g h ALA 56 CO 0.07 0.51 -0.03 2.35 0.00 0.00 0.00 179.25 182.15 2o6g h TRP 57 N 1.13 1.10 -0.44 0.00 2.91 -0.93 0.21 115.95 119.93 2o6g h TRP 57 Ca 0.30 -0.19 -0.08 0.00 1.13 0.00 0.00 58.89 60.05 2o6g h TRP 57 Cb -0.06 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 28.29 2o6g h TRP 57 CO -0.01 0.99 -0.03 0.00 -1.03 0.00 0.00 178.44 178.36 2o6g h ALA 58 N 1.04 0.60 -0.54 2.65 0.00 -0.83 -0.36 119.26 121.82 2o6g h ALA 58 Ca 0.16 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2o6g h ALA 58 Cb 0.57 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2o6g h ALA 58 CO 0.03 0.42 0.00 0.93 0.00 0.00 0.00 179.25 180.63 2o6g h GLU 59 N 0.64 0.96 -0.61 0.00 5.08 -0.57 0.27 114.58 120.35 2o6g h GLU 59 Ca 0.12 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 2o6g h GLU 59 Cb 0.54 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2o6g h GLU 59 CO 0.03 0.97 0.25 0.00 -1.00 0.00 0.00 179.01 179.25 2o6g h ALA 60 N 0.96 1.29 -0.22 3.43 0.00 -0.21 -2.32 119.26 122.18 2o6g h ALA 60 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2o6g h ALA 60 Cb 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2o6g h ALA 60 CO 0.03 0.53 0.00 0.25 0.00 0.00 0.00 179.25 180.05 2o6g n THR 61 N -4.32 0.28 -1.01 0.00 -2.24 -0.18 -4.75 114.28 102.06 2o6g n THR 61 Ca 0.05 -0.44 -0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2o6g n THR 61 Cb 0.16 0.52 -0.00 0.00 -2.10 0.00 0.00 70.33 68.91 2o6g n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o6g n GLY 62 N 1.22 0.47 0.17 3.38 0.00 -0.87 -4.88 105.19 104.68 2o6g n GLY 62 Ca 0.17 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.98 2o6g n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o6g h ALA 63 N 0.00 0.85 -3.26 4.61 0.00 -0.75 -3.45 119.26 117.26 2o6g h ALA 63 Ca -0.01 -0.36 -0.27 0.00 0.00 0.00 0.00 54.91 54.28 2o6g h ALA 63 Cb 0.09 -0.06 -0.22 0.00 0.00 0.00 0.00 17.79 17.59 2o6g h ALA 63 CO 0.01 0.49 -0.73 -0.47 0.00 0.00 0.00 179.25 178.55 2o6g s TYR 64 N -3.31 0.57 -0.32 0.00 5.04 -0.52 -4.95 117.35 113.87 2o6g s TYR 64 Ca 0.02 -0.43 -0.02 0.00 -2.44 0.00 0.00 57.07 54.20 2o6g s TYR 64 Cb 0.09 -0.35 0.12 0.00 0.35 0.00 0.00 41.96 42.17 2o6g s TYR 64 CO 0.70 -0.08 0.17 0.08 -1.34 0.00 0.00 175.55 175.08 2o6g s VAL 65 N -1.18 0.01 -0.21 3.14 1.01 -1.26 -4.25 120.40 117.66 2o6g s VAL 65 Ca -0.09 -1.18 -0.42 0.00 0.00 0.00 0.00 61.98 60.30 2o6g s VAL 65 Cb -0.09 -1.03 -0.19 0.00 0.00 0.00 0.00 36.38 35.07 2o6g s VAL 65 CO 0.00 -0.84 1.26 -2.65 0.00 0.00 0.00 175.10 172.87 2o6g n PRO 66 N 4.70 0.00 0.00 2.72 -0.02 -1.26 -1.92 135.00 139.22 2o6g n PRO 66 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2o6g n PRO 66 Cb 0.40 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 2o6g n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o6g n GLY 67 N 2.50 2.07 0.29 -1.23 0.00 -1.26 -4.81 105.19 102.74 2o6g n GLY 67 Ca 0.24 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 2o6g n GLY 67 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2o6g h ARG 68 N 0.00 -0.65 -7.15 1.61 2.47 -1.83 -3.45 114.38 105.39 2o6g h ARG 68 Ca 0.00 0.04 -0.49 0.00 -1.26 0.00 0.00 59.98 58.27 2o6g h ARG 68 Cb 0.00 0.15 0.03 0.00 -1.65 0.00 0.00 29.97 28.50 2o6g h ARG 68 CO 0.00 -0.39 0.31 -0.51 0.56 0.00 0.00 179.97 179.94 2o6g s ASP 69 N -4.66 6.43 0.03 7.04 1.01 -1.10 -5.04 116.67 120.38 2o6g s ASP 69 Ca -0.16 1.36 -0.17 0.00 0.71 0.00 0.00 52.55 54.29 2o6g s ASP 69 Cb 0.03 -2.43 -0.06 0.00 1.01 0.00 0.00 42.92 41.48 2o6g s ASP 69 CO 0.60 -0.64 0.48 -1.59 0.21 0.00 0.00 175.17 174.23 2o6g s LYS 70 N -4.47 4.05 -0.28 8.23 -2.85 -1.26 -4.80 119.74 118.35 2o6g s LYS 70 Ca 0.55 0.55 -0.28 0.00 -1.00 0.00 0.00 55.97 55.79 2o6g s LYS 70 Cb -0.10 -3.23 -0.03 0.00 -2.06 0.00 0.00 37.83 32.41 2o6g s LYS 70 CO 0.40 0.66 1.89 -2.14 0.10 0.00 0.00 175.35 176.26 2o6g s PRO 71 N -1.05 3.34 -0.67 1.78 0.02 -1.26 -4.97 135.00 132.19 2o6g s PRO 71 Ca 0.26 1.62 -0.01 0.00 0.02 0.00 0.00 61.00 62.89 2o6g s PRO 71 Cb -0.18 -4.23 0.17 0.00 0.02 0.00 0.00 34.50 30.28 2o6g s PRO 71 CO 0.16 -1.85 0.48 0.34 -0.33 0.00 0.00 177.00 175.79 2o6g s ASP 72 N 6.44 5.18 0.15 2.53 -1.08 -1.26 -4.96 116.67 123.67 2o6g s ASP 72 Ca 0.85 -3.14 -0.14 0.00 -0.52 0.00 0.00 52.55 49.59 2o6g s ASP 72 Cb -0.26 -1.81 0.02 0.00 -1.46 0.00 0.00 42.92 39.42 2o6g s ASP 72 CO 0.34 -0.28 1.71 -0.07 0.52 0.00 0.00 175.17 177.38 2o6g h LEU 73 N 6.59 0.64 -0.73 -1.34 -0.00 -2.00 -1.83 115.31 116.65 2o6g h LEU 73 Ca 0.02 -0.16 -0.03 0.00 -0.00 0.00 0.00 57.88 57.71 2o6g h LEU 73 Cb 0.90 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.36 2o6g h LEU 73 CO 0.73 0.62 0.33 -0.65 -0.00 0.00 0.00 178.44 179.48 2o6g h PRO 74 N 0.62 1.06 -0.23 1.13 0.11 -2.00 -0.88 132.00 131.80 2o6g h PRO 74 Ca 0.16 -0.17 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 2o6g h PRO 74 Cb 0.17 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2o6g h PRO 74 CO -0.02 0.84 -0.05 0.00 -0.21 0.00 0.00 178.00 178.57 2o6g h THR 75 N 1.03 1.17 -0.62 -1.15 1.03 -1.95 0.18 112.91 112.59 2o6g h THR 75 Ca 0.25 -0.71 -0.03 0.00 -0.01 0.00 0.00 66.41 65.92 2o6g h THR 75 Cb 0.14 1.05 -0.03 0.00 -1.07 0.00 0.00 68.15 68.25 2o6g h THR 75 CO -0.03 0.23 0.29 -0.50 -0.01 0.00 0.00 175.52 175.50 2o6g h TRP 76 N 0.34 0.91 -0.46 0.00 6.55 -0.30 -0.78 115.95 122.21 2o6g h TRP 76 Ca 0.07 -0.05 -0.13 0.00 0.95 0.00 0.00 58.89 59.74 2o6g h TRP 76 Cb 0.31 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.32 2o6g h TRP 76 CO 0.01 0.70 -0.21 -0.22 -1.05 0.00 0.00 178.44 177.66 2o6g h LYS 77 N 0.86 0.95 -0.52 0.49 3.64 -0.74 -1.13 116.57 120.11 2o6g h LYS 77 Ca 0.21 -0.41 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 2o6g h LYS 77 Cb 0.14 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2o6g h LYS 77 CO -0.02 1.08 0.25 -0.09 -2.27 0.00 0.00 179.45 178.39 2o6g h ARG 78 N 0.79 0.76 -0.41 1.90 2.43 -0.36 0.56 114.38 120.06 2o6g h ARG 78 Ca 0.10 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 2o6g h ARG 78 Cb 0.79 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2o6g h ARG 78 CO 0.07 0.63 -0.23 -0.91 -1.51 0.00 0.00 179.97 178.02 2o6g h ASN 79 N 0.70 0.90 -0.43 -3.80 4.21 -1.10 0.43 115.58 116.50 2o6g h ASN 79 Ca 0.18 -0.42 -0.09 0.00 1.21 0.00 0.00 56.30 57.18 2o6g h ASN 79 Cb 0.12 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 2o6g h ASN 79 CO -0.02 1.12 -0.09 0.15 -1.29 0.00 0.00 177.43 177.30 2o6g h PHE 80 N 0.69 0.92 -0.45 1.19 3.57 -0.84 -0.86 116.94 121.16 2o6g h PHE 80 Ca 0.09 -0.19 -0.06 0.00 3.53 0.00 0.00 57.97 61.34 2o6g h PHE 80 Cb 0.80 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 2o6g h PHE 80 CO 0.06 0.93 0.05 -0.09 -2.23 0.00 0.00 178.31 177.03 2o6g h ARG 81 N 0.65 0.75 -0.37 1.11 2.43 0.33 -2.95 114.38 116.34 2o6g h ARG 81 Ca 0.11 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 2o6g h ARG 81 Cb 0.62 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2o6g h ARG 81 CO 0.04 0.79 -0.18 1.03 -1.51 0.00 0.00 179.97 180.14 2o6g h SER 82 N 0.61 0.69 -0.46 -3.80 0.87 -0.04 -2.48 113.55 108.94 2o6g h SER 82 Ca 0.13 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 2o6g h SER 82 Cb 0.41 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 2o6g h SER 82 CO 0.01 0.87 0.26 0.00 -0.53 0.00 0.00 176.83 177.44 2o6g h ALA 83 N 1.19 0.59 -0.22 6.23 0.00 -0.99 -2.27 119.26 123.79 2o6g h ALA 83 Ca 0.10 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2o6g h ALA 83 Cb 0.65 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2o6g h ALA 83 CO 0.05 0.11 -0.27 -0.07 0.00 0.00 0.00 179.25 179.06 2o6g h LEU 84 N 0.61 0.44 -1.26 0.00 3.38 -1.49 -3.22 115.31 113.77 2o6g h LEU 84 Ca 0.16 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2o6g h LEU 84 Cb 0.04 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2o6g h LEU 84 CO -0.03 0.70 0.50 -1.13 0.09 0.00 0.00 178.44 178.58 2o6g h ASN 85 N 0.38 0.87 0.38 -0.43 -0.73 -0.92 -2.72 115.58 112.41 2o6g h ASN 85 Ca 0.05 -0.02 -0.32 0.00 1.87 0.00 0.00 56.30 57.89 2o6g h ASN 85 Cb 0.68 -0.21 0.03 0.00 0.27 0.00 0.00 38.32 39.08 2o6g h ASN 85 CO 0.05 0.62 -1.40 0.08 -0.37 0.00 0.00 177.43 176.41 2o6g h ARG 86 N 1.02 0.46 -5.92 6.67 -0.00 -1.58 -3.47 114.38 111.56 2o6g h ARG 86 Ca 0.28 -0.78 -0.81 0.00 -0.00 0.00 0.00 59.98 58.67 2o6g h ARG 86 Cb -0.10 0.29 0.04 0.00 -0.00 0.00 0.00 29.97 30.19 2o6g h ARG 86 CO -0.06 1.37 0.26 1.17 -0.00 0.00 0.00 179.97 182.71 2o6g n LYS 87 N -3.66 0.00 -3.23 0.08 3.00 -1.03 -4.92 118.16 108.40 2o6g n LYS 87 Ca -0.14 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.81 2o6g n LYS 87 Cb 1.08 -1.48 -0.06 0.00 0.00 0.00 0.00 35.03 34.57 2o6g n LYS 87 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2o6g s GLU 88 N 0.96 4.14 0.00 1.64 0.41 -1.26 -4.07 118.70 120.51 2o6g s GLU 88 Ca 0.94 0.70 0.00 0.00 -0.41 0.00 0.00 54.97 56.20 2o6g s GLU 88 Cb -1.33 -2.97 0.00 0.00 -1.78 0.00 0.00 34.13 28.06 2o6g s GLU 88 CO 0.64 0.47 0.00 0.41 -0.49 0.00 0.00 175.26 176.30 2o6g n GLY 89 N 0.94 0.74 3.28 -1.39 0.00 -1.26 -5.02 105.19 102.47 2o6g n GLY 89 Ca -0.05 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 2o6g n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2o6g s LEU 90 N 0.00 0.21 0.06 0.99 2.96 -1.26 -1.96 118.68 119.69 2o6g s LEU 90 Ca 0.00 0.84 -0.03 0.00 -0.22 0.00 0.00 54.13 54.72 2o6g s LEU 90 Cb 0.00 1.35 -0.03 0.00 0.50 0.00 0.00 46.19 48.01 2o6g s LEU 90 CO 0.00 -0.16 0.02 0.00 -1.32 0.00 0.00 176.35 174.89 2o6g s ARG 91 N 0.77 0.65 -0.16 1.98 1.70 0.35 -4.91 118.95 119.32 2o6g s ARG 91 Ca -0.04 -1.12 -0.29 0.00 -0.47 0.00 0.00 55.73 53.80 2o6g s ARG 91 Cb -0.05 0.23 -0.00 0.00 -0.57 0.00 0.00 34.95 34.56 2o6g s ARG 91 CO -0.06 -0.14 1.03 -1.17 -1.08 0.00 0.00 175.30 173.88 2o6g s LEU 92 N -2.82 4.19 -0.26 -1.89 2.96 -1.26 -0.80 118.68 118.80 2o6g s LEU 92 Ca 0.05 1.48 -0.14 0.00 -0.22 0.00 0.00 54.13 55.30 2o6g s LEU 92 Cb 0.06 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 43.09 2o6g s LEU 92 CO -0.10 -0.55 -0.35 0.00 -1.32 0.00 0.00 176.35 174.04 2o6g n ALA 93 N 5.58 1.22 -2.57 5.97 0.00 0.17 -4.90 120.51 125.97 2o6g n ALA 93 Ca 0.10 -1.06 -0.26 0.00 0.00 0.00 0.00 53.44 52.22 2o6g n ALA 93 Cb 0.47 0.14 -0.09 0.00 0.00 0.00 0.00 19.45 19.97 2o6g n ALA 93 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2o6g s GLU 94 N -2.53 1.92 -0.48 0.00 0.41 -0.71 -4.95 118.70 112.36 2o6g s GLU 94 Ca -0.37 -2.15 0.06 0.00 -0.41 0.00 0.00 54.97 52.10 2o6g s GLU 94 Cb 0.14 -1.02 0.20 0.00 -1.78 0.00 0.00 34.13 31.67 2o6g s GLU 94 CO 0.47 -0.32 0.65 -3.47 -0.49 0.00 0.00 175.26 172.10 2o6g n ASP 95 N -1.09 -2.32 -1.88 -0.19 4.64 -1.26 -3.03 116.55 111.42 2o6g n ASP 95 Ca -0.08 -2.84 -0.13 0.00 -1.38 0.00 0.00 54.79 50.36 2o6g n ASP 95 Cb 0.66 1.00 0.18 0.00 -1.04 0.00 0.00 41.12 41.93 2o6g n ASP 95 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2o6g n ARG 96 N 2.54 2.49 0.27 -0.67 5.12 0.16 -4.55 116.66 122.01 2o6g n ARG 96 Ca 0.20 -2.39 0.15 0.00 -1.93 0.00 0.00 57.85 53.87 2o6g n ARG 96 Cb 0.55 -1.97 0.71 0.00 -1.16 0.00 0.00 32.46 30.59 2o6g n ARG 96 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2o6g h SER 97 N 1.35 0.00 -0.68 0.55 4.64 -1.68 -1.84 113.55 115.89 2o6g h SER 97 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2o6g h SER 97 Cb 2.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.37 2o6g h SER 97 CO 0.76 0.08 0.00 2.29 -0.87 0.00 0.00 176.83 179.09 2o6g n LYS 98 N -3.30 3.46 -2.57 4.77 0.00 -1.26 -4.45 118.16 114.81 2o6g n LYS 98 Ca -0.01 -2.82 -0.34 0.00 -0.00 0.00 0.00 58.31 55.15 2o6g n LYS 98 Cb 0.29 -1.81 -0.04 0.00 -0.00 0.00 0.00 35.03 33.47 2o6g n LYS 98 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2o6g s ASP 99 N -0.92 6.46 -0.00 -5.58 2.15 -0.94 -5.04 116.67 112.80 2o6g s ASP 99 Ca 0.51 1.85 -0.17 0.00 0.43 0.00 0.00 52.55 55.17 2o6g s ASP 99 Cb 0.31 -2.55 -0.09 0.00 -0.30 0.00 0.00 42.92 40.29 2o6g s ASP 99 CO 0.27 -0.70 0.84 -0.65 -0.17 0.00 0.00 175.17 174.77 2o6g h PRO 100 N 1.54 -0.59 0.00 4.34 0.11 -1.93 -3.34 132.00 132.14 2o6g h PRO 100 Ca -0.49 0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 2o6g h PRO 100 Cb 1.21 0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.43 2o6g h PRO 100 CO 0.59 -0.39 -1.01 0.45 -0.21 0.00 0.00 178.00 177.44 2o6g h HIS 101 N -0.93 0.00 -1.69 0.65 3.86 -1.98 -3.42 115.15 111.65 2o6g h HIS 101 Ca -0.06 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.67 2o6g h HIS 101 Cb 0.47 0.00 -0.32 0.00 1.06 0.00 0.00 27.41 28.61 2o6g h HIS 101 CO 0.03 0.42 -0.91 -3.47 0.86 0.00 0.00 177.93 174.86 2o6g n ASP 102 N -2.96 -0.88 -4.72 2.45 2.03 -1.26 -5.11 116.55 106.10 2o6g n ASP 102 Ca -0.04 -2.72 -0.42 0.00 0.52 0.00 0.00 54.79 52.13 2o6g n ASP 102 Cb 0.74 0.02 -0.03 0.00 -0.72 0.00 0.00 41.12 41.13 2o6g n ASP 102 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2o6g s PRO 103 N -0.32 4.48 -0.11 -0.67 0.04 -1.25 -4.82 135.00 132.35 2o6g s PRO 103 Ca 0.33 1.72 -0.33 0.00 0.04 0.00 0.00 61.00 62.76 2o6g s PRO 103 Cb 0.12 -3.35 0.13 0.00 0.04 0.00 0.00 34.50 31.45 2o6g s PRO 103 CO -0.15 -0.17 1.29 -3.38 0.04 0.00 0.00 177.00 174.63 2o6g s HIS 104 N 0.79 -0.06 0.22 0.56 -3.43 -0.74 -1.42 115.29 111.21 2o6g s HIS 104 Ca 0.56 -0.00 0.11 0.00 -0.80 0.00 0.00 55.06 54.93 2o6g s HIS 104 Cb -0.28 0.53 -0.05 0.00 -1.43 0.00 0.00 32.58 31.35 2o6g s HIS 104 CO 0.30 -0.20 -0.22 0.15 -2.00 0.00 0.00 174.74 172.77 2o6g s LYS 105 N -2.35 1.56 -0.17 -0.38 1.02 -0.67 0.36 119.74 119.12 2o6g s LYS 105 Ca 0.12 -1.60 0.01 0.00 0.02 0.00 0.00 55.97 54.52 2o6g s LYS 105 Cb 0.03 -1.80 0.03 0.00 -0.52 0.00 0.00 37.83 35.57 2o6g s LYS 105 CO -0.04 0.37 -0.15 0.42 -0.92 0.00 0.00 175.35 175.03 2o6g s ILE 106 N -1.96 1.75 0.14 2.17 1.01 -1.17 -1.55 121.20 121.59 2o6g s ILE 106 Ca 0.24 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 60.06 2o6g s ILE 106 Cb -0.07 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 2o6g s ILE 106 CO 0.11 0.39 0.24 -0.31 0.00 0.00 0.00 174.94 175.37 2o6g s TYR 107 N 1.40 3.42 0.02 3.97 1.51 -0.98 0.44 117.35 127.13 2o6g s TYR 107 Ca 0.03 0.11 0.06 0.00 -1.01 0.00 0.00 57.07 56.25 2o6g s TYR 107 Cb -0.14 -1.65 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 2o6g s TYR 107 CO -0.10 0.52 -0.18 -2.00 -1.11 0.00 0.00 175.55 172.68 2o6g s GLU 108 N -3.11 1.26 -0.06 -0.62 2.12 0.02 -1.79 118.70 116.52 2o6g s GLU 108 Ca 0.34 -0.77 -0.18 0.00 0.36 0.00 0.00 54.97 54.71 2o6g s GLU 108 Cb -0.11 -1.29 -0.05 0.00 0.26 0.00 0.00 34.13 32.94 2o6g s GLU 108 CO 0.27 0.34 0.50 -0.06 -0.54 0.00 0.00 175.26 175.77 2o6g s PHE 109 N -0.67 3.61 0.00 5.30 0.08 0.73 -0.49 117.98 126.53 2o6g s PHE 109 Ca 0.06 1.01 0.00 0.00 0.12 0.00 0.00 56.93 58.12 2o6g s PHE 109 Cb -0.08 -2.53 0.00 0.00 -0.57 0.00 0.00 43.02 39.85 2o6g s PHE 109 CO 0.01 0.31 0.00 1.33 -0.10 0.00 0.00 175.22 176.77 2o6g n VAL 110 N 3.04 0.00 0.00 -0.44 0.24 -0.83 -4.93 118.33 115.41 2o6g n VAL 110 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2o6g n VAL 110 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 2o6g n VAL 110 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2o6g n ASN 111 N 0.00 0.00 -0.92 -1.34 4.13 -1.26 -4.87 115.26 111.00 2o6g n ASN 111 Ca 0.00 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.38 2o6g n ASN 111 Cb 0.00 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.34 2o6g n ASN 111 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34