#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o4g n HIS 10 N 0.00 0.00 -1.81 1.61 -0.00 -1.26 -4.95 115.22 108.81 2o4g n HIS 10 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 2o4g n HIS 10 Cb 0.00 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.99 29.69 2o4g n HIS 10 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2o4g s MET 11 N -2.20 3.57 0.05 -1.40 1.00 -1.26 -4.09 119.30 114.97 2o4g s MET 11 Ca -0.03 1.99 0.07 0.00 0.00 0.00 0.00 55.69 57.71 2o4g s MET 11 Cb 0.02 -4.21 -0.23 0.00 0.00 0.00 0.00 34.83 30.41 2o4g s MET 11 CO 0.25 -1.58 1.01 1.96 0.00 0.00 0.00 175.02 176.67 2o4g h GLN 12 N 12.55 0.05 -4.52 2.03 1.08 -1.40 -3.44 115.11 121.46 2o4g h GLN 12 Ca -0.40 -0.09 -0.47 0.00 -1.45 0.00 0.00 58.65 56.24 2o4g h GLN 12 Cb 1.21 0.03 -0.33 0.00 -0.05 0.00 0.00 27.48 28.34 2o4g h GLN 12 CO 0.98 0.87 -0.80 0.99 -0.95 0.00 0.00 178.83 179.92 2o4g s THR 13 N -2.66 0.94 -0.24 -0.54 2.01 -1.11 -0.91 115.64 113.13 2o4g s THR 13 Ca -0.03 -0.40 -0.08 0.00 0.31 0.00 0.00 61.69 61.49 2o4g s THR 13 Cb 0.09 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 2o4g s THR 13 CO 0.83 0.30 0.10 -0.76 -0.69 0.00 0.00 174.62 174.41 2o4g s LEU 14 N 0.52 3.75 -0.47 4.42 1.43 -0.65 -1.33 118.68 126.36 2o4g s LEU 14 Ca -0.10 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 2o4g s LEU 14 Cb -0.13 -2.00 0.11 0.00 0.03 0.00 0.00 46.19 44.20 2o4g s LEU 14 CO 0.02 0.03 0.35 -0.63 0.23 0.00 0.00 176.35 176.35 2o4g s ILE 15 N 1.22 4.43 0.22 -0.59 1.01 0.07 -1.08 121.20 126.49 2o4g s ILE 15 Ca 0.06 -1.58 -0.30 0.00 0.00 0.00 0.00 60.65 58.82 2o4g s ILE 15 Cb -0.14 -3.83 -0.09 0.00 0.01 0.00 0.00 42.46 38.41 2o4g s ILE 15 CO 0.04 -0.70 1.23 -0.36 0.00 0.00 0.00 174.94 175.15 2o4g s PHE 16 N 1.43 3.36 -0.02 3.97 0.08 0.85 -0.66 117.98 126.99 2o4g s PHE 16 Ca 0.04 1.41 -0.00 0.00 0.12 0.00 0.00 56.93 58.50 2o4g s PHE 16 Cb -0.26 -3.49 0.02 0.00 -0.57 0.00 0.00 43.02 38.73 2o4g s PHE 16 CO 0.01 -1.37 0.04 -1.17 -0.10 0.00 0.00 175.22 172.63 2o4g s LEU 17 N -0.54 1.25 0.03 -0.37 1.98 0.61 -0.09 118.68 121.56 2o4g s LEU 17 Ca 0.52 0.07 0.01 0.00 -2.89 0.00 0.00 54.13 51.84 2o4g s LEU 17 Cb -0.34 0.01 -0.02 0.00 0.66 0.00 0.00 46.19 46.49 2o4g s LEU 17 CO 0.39 -0.10 -0.05 -0.62 -1.89 0.00 0.00 176.35 174.09 2o4g s ASP 18 N 0.82 0.52 0.06 3.68 2.15 -0.93 -4.29 116.67 118.67 2o4g s ASP 18 Ca -0.07 -0.58 0.07 0.00 0.43 0.00 0.00 52.55 52.40 2o4g s ASP 18 Cb -0.10 0.08 -0.03 0.00 -0.30 0.00 0.00 42.92 42.58 2o4g s ASP 18 CO -0.03 -0.30 -0.19 -0.76 -0.17 0.00 0.00 175.17 173.73 2o4g s LEU 19 N -1.68 2.21 0.34 -1.34 1.43 -1.26 -1.16 118.68 117.22 2o4g s LEU 19 Ca -0.11 -0.56 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 2o4g s LEU 19 Cb -0.08 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 2o4g s LEU 19 CO -0.01 0.08 0.21 -1.61 0.23 0.00 0.00 176.35 175.25 2o4g s GLU 20 N -1.41 2.55 0.27 1.70 0.41 -0.02 -4.88 118.70 117.32 2o4g s GLU 20 Ca 0.05 -1.42 -0.18 0.00 -0.41 0.00 0.00 54.97 53.02 2o4g s GLU 20 Cb -0.09 -2.33 0.01 0.00 -1.78 0.00 0.00 34.13 29.95 2o4g s GLU 20 CO 0.02 0.11 0.64 0.00 -0.49 0.00 0.00 175.26 175.54 2o4g s ALA 21 N -2.36 -0.83 0.19 5.21 0.00 -1.26 -0.71 121.76 121.99 2o4g s ALA 21 Ca 0.39 -0.54 0.28 0.00 0.00 0.00 0.00 51.96 52.08 2o4g s ALA 21 Cb -0.04 0.92 1.17 0.00 0.00 0.00 0.00 23.12 25.17 2o4g s ALA 21 CO 0.25 -0.97 1.92 1.79 0.00 0.00 0.00 175.76 178.75 2o4g h THR 22 N 2.09 0.40 -0.19 0.00 1.35 -1.54 -3.45 112.91 111.57 2o4g h THR 22 Ca -0.22 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 2o4g h THR 22 Cb 1.25 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 2o4g h THR 22 CO 0.28 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.30 2o4g n GLY 23 N -0.06 0.65 3.90 5.82 0.00 -1.26 0.28 105.19 114.52 2o4g n GLY 23 Ca -0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 2o4g n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2o4g s LEU 24 N 0.00 2.83 0.44 0.99 1.43 -1.26 -4.67 118.68 118.43 2o4g s LEU 24 Ca 0.00 0.83 0.19 0.00 -1.03 0.00 0.00 54.13 54.12 2o4g s LEU 24 Cb 0.00 -3.52 1.14 0.00 0.03 0.00 0.00 46.19 43.84 2o4g s LEU 24 CO 0.00 -1.50 1.88 -0.65 0.23 0.00 0.00 176.35 176.31 2o4g h PRO 25 N -0.68 0.33 0.00 1.29 0.11 -1.98 -1.21 132.00 129.86 2o4g h PRO 25 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2o4g h PRO 25 Cb 1.29 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2o4g h PRO 25 CO 0.63 0.22 -0.08 0.66 -0.21 0.00 0.00 178.00 179.22 2o4g h SER 26 N 0.34 0.00 0.13 -2.05 4.64 -2.01 -2.04 113.55 112.56 2o4g h SER 26 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2o4g h SER 26 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2o4g h SER 26 CO -0.13 0.08 -0.04 -1.54 -0.87 0.00 0.00 176.83 174.33 2o4g n SER 27 N -3.49 0.57 -3.41 4.97 3.41 -0.46 -4.96 113.62 110.25 2o4g n SER 27 Ca -0.02 -0.97 -0.16 0.00 -0.26 0.00 0.00 58.87 57.46 2o4g n SER 27 Cb 0.21 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.16 2o4g n SER 27 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2o4g n ARG 28 N -0.67 -1.47 -1.35 4.33 1.74 -0.77 -4.93 116.66 113.53 2o4g n ARG 28 Ca 0.19 0.95 -0.30 0.00 -0.77 0.00 0.00 57.85 57.92 2o4g n ARG 28 Cb 0.24 -4.65 0.11 0.00 -1.02 0.00 0.00 32.46 27.14 2o4g n ARG 28 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2o4g s PRO 29 N -4.47 1.73 0.03 5.56 0.04 -1.26 -5.03 135.00 131.59 2o4g s PRO 29 Ca 0.22 0.80 0.09 0.00 0.04 0.00 0.00 61.00 62.15 2o4g s PRO 29 Cb -0.06 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2o4g s PRO 29 CO 0.81 -1.91 -0.25 -1.21 0.04 0.00 0.00 177.00 174.48 2o4g s GLU 30 N -5.01 1.83 0.14 4.56 2.02 -1.26 -4.93 118.70 116.04 2o4g s GLU 30 Ca 0.62 -1.03 -0.31 0.00 0.02 0.00 0.00 54.97 54.27 2o4g s GLU 30 Cb -0.16 -1.93 -0.08 0.00 0.10 0.00 0.00 34.13 32.06 2o4g s GLU 30 CO 0.56 0.51 1.33 0.08 0.02 0.00 0.00 175.26 177.76 2o4g s VAL 31 N -0.74 3.38 -0.18 2.63 1.01 -1.26 -1.31 120.40 123.93 2o4g s VAL 31 Ca 0.11 1.04 0.07 0.00 0.00 0.00 0.00 61.98 63.20 2o4g s VAL 31 Cb -0.10 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 2o4g s VAL 31 CO 0.01 0.11 0.23 0.35 0.00 0.00 0.00 175.10 175.80 2o4g n THR 32 N 3.48 0.00 -3.63 3.92 -2.24 0.11 -4.49 114.28 111.42 2o4g n THR 32 Ca 0.09 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 2o4g n THR 32 Cb 0.43 0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 2o4g n THR 32 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2o4g s GLU 33 N -2.04 0.75 -0.02 -0.78 2.12 -1.15 -0.90 118.70 116.67 2o4g s GLU 33 Ca 0.00 0.93 -0.02 0.00 0.36 0.00 0.00 54.97 56.24 2o4g s GLU 33 Cb 0.05 0.35 0.01 0.00 0.26 0.00 0.00 34.13 34.80 2o4g s GLU 33 CO 0.29 -0.09 0.06 -0.48 -0.54 0.00 0.00 175.26 174.49 2o4g s LEU 34 N 0.45 1.69 -0.05 2.70 0.05 0.02 -0.84 118.68 122.71 2o4g s LEU 34 Ca -0.00 0.11 0.03 0.00 0.05 0.00 0.00 54.13 54.32 2o4g s LEU 34 Cb -0.05 0.17 0.00 0.00 -2.05 0.00 0.00 46.19 44.27 2o4g s LEU 34 CO -0.02 -0.03 -0.13 0.00 -0.55 0.00 0.00 176.35 175.61 2o4g s LEU 36 N 0.32 2.58 -0.26 0.00 1.02 0.21 -2.20 118.68 120.35 2o4g s LEU 36 Ca -0.08 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 53.73 2o4g s LEU 36 Cb -0.13 -1.55 0.08 0.00 0.02 0.00 0.00 46.19 44.61 2o4g s LEU 36 CO 0.02 0.22 0.02 -0.22 0.02 0.00 0.00 176.35 176.41 2o4g s LEU 37 N 0.02 2.57 -0.19 1.79 2.96 0.87 -1.39 118.68 125.31 2o4g s LEU 37 Ca -0.05 -1.38 -0.17 0.00 -0.22 0.00 0.00 54.13 52.30 2o4g s LEU 37 Cb -0.15 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 2o4g s LEU 37 CO 0.05 -0.31 0.47 0.00 -1.32 0.00 0.00 176.35 175.23 2o4g s ALA 38 N 1.46 3.54 -0.10 5.97 0.00 0.90 -0.11 121.76 133.42 2o4g s ALA 38 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2o4g s ALA 38 Cb -0.18 -2.73 0.02 0.00 0.00 0.00 0.00 23.12 20.23 2o4g s ALA 38 CO -0.12 -0.34 -0.08 0.08 0.00 0.00 0.00 175.76 175.30 2o4g s VAL 39 N 1.40 0.98 0.62 0.00 1.01 -0.25 -1.62 120.40 122.55 2o4g s VAL 39 Ca 0.22 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.72 2o4g s VAL 39 Cb -0.15 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2o4g s VAL 39 CO 0.09 0.35 1.22 1.57 0.00 0.00 0.00 175.10 178.33 2o4g n HIS 40 N 4.66 1.70 -0.13 5.22 -0.00 -1.26 -1.63 115.22 123.78 2o4g n HIS 40 Ca -0.15 0.43 -0.00 0.00 0.46 0.00 0.00 57.72 58.45 2o4g n HIS 40 Cb 0.50 -2.25 0.26 0.00 -0.12 0.00 0.00 29.99 28.38 2o4g n HIS 40 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 2o4g h ARG 41 N 0.65 0.81 -0.94 1.57 0.11 -1.31 -2.19 114.38 113.08 2o4g h ARG 41 Ca -0.50 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 59.48 2o4g h ARG 41 Cb 1.34 -0.15 -0.05 0.00 1.11 0.00 0.00 29.97 32.22 2o4g h ARG 41 CO 0.53 0.63 0.60 0.00 0.10 0.00 0.00 179.97 181.83 2o4g h ARG 42 N 0.81 1.26 0.00 0.08 3.08 -1.91 -1.81 114.38 115.88 2o4g h ARG 42 Ca 0.20 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 2o4g h ARG 42 Cb 0.10 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 2o4g h ARG 42 CO -0.03 0.85 -0.13 0.00 -1.07 0.00 0.00 179.97 179.59 2o4g h ALA 43 N 1.37 1.36 0.02 0.04 0.00 -1.76 -1.33 119.26 118.96 2o4g h ALA 43 Ca 0.34 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2o4g h ALA 43 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2o4g h ALA 43 CO -0.07 0.17 -0.01 -0.07 0.00 0.00 0.00 179.25 179.27 2o4g h LEU 44 N 0.00 -0.03 -1.51 0.00 3.38 -1.20 -3.31 115.31 112.63 2o4g h LEU 44 Ca -0.00 -0.70 0.14 0.00 0.09 0.00 0.00 57.88 57.41 2o4g h LEU 44 Cb 0.33 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2o4g h LEU 44 CO 0.02 0.72 0.51 -0.33 0.09 0.00 0.00 178.44 179.45 2o4g h GLU 45 N -0.81 0.47 0.00 1.13 5.08 -1.17 -2.38 114.58 116.90 2o4g h GLU 45 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2o4g h GLU 45 Cb 0.72 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2o4g h GLU 45 CO 0.01 0.31 0.00 0.09 -1.00 0.00 0.00 179.01 178.42 2o4g n ASN 46 N -4.49 0.00 -4.71 1.42 3.02 -0.52 -4.61 115.26 105.36 2o4g n ASN 46 Ca 0.15 -0.51 -0.42 0.00 -0.03 0.00 0.00 54.58 53.76 2o4g n ASN 46 Cb 0.50 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.48 2o4g n ASN 46 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2o4g s THR 47 N -2.32 2.37 0.31 3.41 2.01 -0.90 -4.99 115.64 115.54 2o4g s THR 47 Ca 0.37 0.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.24 2o4g s THR 47 Cb 0.21 -3.11 -0.10 0.00 0.01 0.00 0.00 72.50 69.51 2o4g s THR 47 CO 0.42 0.01 1.42 -0.55 -0.69 0.00 0.00 174.62 175.22 2o4g s SER 48 N 1.62 6.60 -0.42 3.53 0.15 -1.26 -4.90 113.70 119.00 2o4g s SER 48 Ca 0.75 2.79 -0.28 0.00 0.70 0.00 0.00 55.95 59.92 2o4g s SER 48 Cb -0.47 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.17 2o4g s SER 48 CO 0.33 -0.70 1.89 -0.63 1.20 0.00 0.00 173.24 175.33 2o4g s ILE 49 N -0.69 3.38 -0.39 6.45 1.01 -1.26 -4.82 121.20 124.88 2o4g s ILE 49 Ca 0.54 0.33 -0.32 0.00 0.00 0.00 0.00 60.65 61.21 2o4g s ILE 49 Cb -0.43 -3.65 -0.10 0.00 0.01 0.00 0.00 42.46 38.29 2o4g s ILE 49 CO 0.52 -0.51 2.27 -1.54 0.00 0.00 0.00 174.94 175.68 2o4g n SER 50 N 11.60 2.26 -4.85 3.58 3.41 -1.26 -4.95 113.62 123.41 2o4g n SER 50 Ca 0.24 0.21 -0.35 0.00 -0.26 0.00 0.00 58.87 58.71 2o4g n SER 50 Cb 0.49 -1.35 -0.06 0.00 -0.26 0.00 0.00 64.21 63.04 2o4g n SER 50 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2o4g s GLN 51 N 6.76 3.98 0.00 4.33 -0.21 -1.26 -4.79 119.66 128.48 2o4g s GLN 51 Ca 1.08 0.51 0.00 0.00 0.02 0.00 0.00 55.36 56.97 2o4g s GLN 51 Cb -0.68 -2.84 0.00 0.00 1.00 0.00 0.00 33.01 30.49 2o4g s GLN 51 CO 0.43 0.42 0.00 0.41 -2.12 0.00 0.00 175.29 174.42 2o4g n GLY 52 N 0.54 3.61 2.56 3.09 0.00 -1.26 -4.62 105.19 109.10 2o4g n GLY 52 Ca -0.03 -1.69 -0.25 0.00 0.00 0.00 0.00 46.02 44.05 2o4g n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o4g s HIS 53 N -2.05 0.39 0.54 1.61 3.76 -1.26 -3.14 115.29 115.14 2o4g s HIS 53 Ca 0.00 -1.38 -0.09 0.00 -0.15 0.00 0.00 55.06 53.43 2o4g s HIS 53 Cb 0.00 -0.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.91 2o4g s HIS 53 CO 0.00 -0.88 0.91 -1.25 -0.85 0.00 0.00 174.74 172.67 2o4g s PRO 54 N 1.16 3.63 0.66 8.40 0.04 -1.26 -5.14 135.00 142.48 2o4g s PRO 54 Ca 0.18 0.54 -0.14 0.00 0.04 0.00 0.00 61.00 61.62 2o4g s PRO 54 Cb -0.20 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.11 2o4g s PRO 54 CO -0.01 -0.36 1.08 -1.25 0.04 0.00 0.00 177.00 176.51 2o4g s PRO 55 N -4.79 2.91 0.61 0.56 0.04 -1.19 -5.03 135.00 128.11 2o4g s PRO 55 Ca 0.52 1.24 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 2o4g s PRO 55 Cb -0.11 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2o4g s PRO 55 CO 0.46 -1.14 1.09 -1.25 0.04 0.00 0.00 177.00 176.20 2o4g s PRO 56 N -4.32 3.15 0.01 0.56 0.04 -1.26 -4.78 135.00 128.40 2o4g s PRO 56 Ca 0.64 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 2o4g s PRO 56 Cb -0.18 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 2o4g s PRO 56 CO 0.44 -0.97 1.70 0.08 0.04 0.00 0.00 177.00 178.30 2o4g s VAL 57 N -2.30 3.26 0.54 -0.36 1.01 -1.26 -4.96 120.40 116.33 2o4g s VAL 57 Ca 0.66 0.50 -0.20 0.00 0.00 0.00 0.00 61.98 62.94 2o4g s VAL 57 Cb -0.19 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 2o4g s VAL 57 CO 0.36 -0.03 1.19 -2.84 0.00 0.00 0.00 175.10 173.79 2o4g s PRO 58 N 3.50 3.30 0.53 2.72 0.02 -1.26 -5.01 135.00 138.80 2o4g s PRO 58 Ca 0.76 1.80 -0.20 0.00 0.02 0.00 0.00 61.00 63.38 2o4g s PRO 58 Cb -0.38 -2.11 -0.06 0.00 0.02 0.00 0.00 34.50 31.98 2o4g s PRO 58 CO 0.33 -0.94 1.14 1.03 -0.33 0.00 0.00 177.00 178.23 2o4g s ARG 59 N -3.11 3.39 0.92 5.54 0.52 -1.26 -4.93 118.95 120.02 2o4g s ARG 59 Ca 0.72 1.65 -0.10 0.00 -0.52 0.00 0.00 55.73 57.47 2o4g s ARG 59 Cb -0.29 -2.06 0.15 0.00 0.52 0.00 0.00 34.95 33.27 2o4g s ARG 59 CO 0.33 -0.82 1.13 -2.14 0.02 0.00 0.00 175.30 173.82 2o4g s PRO 60 N -3.21 1.01 0.67 3.54 0.02 -1.26 -4.97 135.00 130.80 2o4g s PRO 60 Ca 0.72 1.42 -0.17 0.00 0.02 0.00 0.00 61.00 62.99 2o4g s PRO 60 Cb -0.25 -1.74 0.01 0.00 0.02 0.00 0.00 34.50 32.54 2o4g s PRO 60 CO 0.28 -2.60 1.22 -2.14 -0.33 0.00 0.00 177.00 173.44 2o4g s PRO 61 N -4.67 2.49 0.13 5.54 0.02 -1.26 -4.93 135.00 132.31 2o4g s PRO 61 Ca 0.66 1.83 -0.17 0.00 0.02 0.00 0.00 61.00 63.34 2o4g s PRO 61 Cb -0.22 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.41 2o4g s PRO 61 CO 0.58 -1.58 1.73 -0.09 -0.33 0.00 0.00 177.00 177.31 2o4g h ARG 62 N 0.23 0.47 -5.41 5.54 9.65 -1.93 -3.39 114.38 119.53 2o4g h ARG 62 Ca -0.49 -0.05 -0.65 0.00 -1.10 0.00 0.00 59.98 57.68 2o4g h ARG 62 Cb 1.30 -0.09 -0.15 0.00 -1.39 0.00 0.00 29.97 29.64 2o4g h ARG 62 CO 0.52 0.39 0.20 0.08 2.80 0.00 0.00 179.97 183.97 2o4g s VAL 63 N -5.86 4.75 -0.11 0.20 1.01 -1.26 -5.01 120.40 114.12 2o4g s VAL 63 Ca -0.13 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 2o4g s VAL 63 Cb 0.10 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 32.21 2o4g s VAL 63 CO 0.72 -0.75 0.27 -0.69 0.00 0.00 0.00 175.10 174.66 2o4g s VAL 64 N 3.01 -0.01 -0.16 2.92 1.01 -1.26 -4.65 120.40 121.26 2o4g s VAL 64 Ca 0.23 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.17 2o4g s VAL 64 Cb -0.15 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 2o4g s VAL 64 CO 0.18 0.01 0.09 -1.81 0.00 0.00 0.00 175.10 173.57 2o4g s ASP 65 N 0.40 5.90 -0.01 3.32 1.11 -0.64 -4.97 116.67 121.77 2o4g s ASP 65 Ca -0.02 0.22 0.02 0.00 0.18 0.00 0.00 52.55 52.95 2o4g s ASP 65 Cb -0.04 -1.95 -0.00 0.00 1.07 0.00 0.00 42.92 42.00 2o4g s ASP 65 CO -0.02 0.27 -0.07 -0.75 1.18 0.00 0.00 175.17 175.78 2o4g s LYS 66 N -0.18 0.57 -0.03 8.23 2.20 -1.26 -0.07 119.74 129.20 2o4g s LYS 66 Ca 0.09 -0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.46 2o4g s LYS 66 Cb -0.12 -0.56 0.03 0.00 -1.51 0.00 0.00 37.83 35.67 2o4g s LYS 66 CO 0.01 0.13 0.04 -1.17 -0.36 0.00 0.00 175.35 173.99 2o4g s LEU 67 N -0.08 0.69 -0.06 5.43 2.96 -0.48 -5.01 118.68 122.13 2o4g s LEU 67 Ca 0.01 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 2o4g s LEU 67 Cb -0.04 -0.15 0.02 0.00 0.50 0.00 0.00 46.19 46.53 2o4g s LEU 67 CO -0.00 -0.18 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.27 2o4g s SER 68 N 1.56 1.38 -0.02 3.68 0.15 -1.26 -0.61 113.70 118.57 2o4g s SER 68 Ca -0.03 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.51 2o4g s SER 68 Cb -0.13 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.67 2o4g s SER 68 CO -0.03 -0.11 -0.10 -0.76 1.20 0.00 0.00 173.24 173.44 2o4g s LEU 69 N 1.39 1.85 -0.08 3.45 1.43 -0.14 -4.99 118.68 121.59 2o4g s LEU 69 Ca -0.03 -0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 52.78 2o4g s LEU 69 Cb -0.13 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 2o4g s LEU 69 CO -0.03 0.08 0.22 0.00 0.23 0.00 0.00 176.35 176.86 2o4g s ILE 71 N -1.05 0.80 -0.03 0.00 1.01 -0.08 -4.58 121.20 117.26 2o4g s ILE 71 Ca 0.18 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 2o4g s ILE 71 Cb -0.13 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 2o4g s ILE 71 CO 0.07 0.29 1.25 0.00 0.00 0.00 0.00 174.94 176.55 2o4g s ALA 72 N 0.92 3.51 0.57 9.38 0.00 -0.30 -4.34 121.76 131.50 2o4g s ALA 72 Ca -0.11 0.71 -0.09 0.00 0.00 0.00 0.00 51.96 52.47 2o4g s ALA 72 Cb -0.15 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 2o4g s ALA 72 CO 0.01 -0.78 0.93 -1.25 0.00 0.00 0.00 175.76 174.67 2o4g s PRO 73 N 2.19 3.53 0.10 0.00 0.04 -1.26 -4.12 135.00 135.47 2o4g s PRO 73 Ca 0.58 0.50 0.25 0.00 0.04 0.00 0.00 61.00 62.38 2o4g s PRO 73 Cb -0.27 -2.20 0.59 0.00 0.04 0.00 0.00 34.50 32.66 2o4g s PRO 73 CO 0.24 -0.45 1.51 0.41 0.04 0.00 0.00 177.00 178.75 2o4g n GLY 74 N -2.56 -1.45 3.45 0.56 0.00 -1.26 -4.89 105.19 99.04 2o4g n GLY 74 Ca 0.04 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 2o4g n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o4g s LYS 75 N -3.10 1.60 0.52 1.61 -2.85 -1.26 -5.14 119.74 111.12 2o4g s LYS 75 Ca 0.09 -1.81 -0.19 0.00 -1.00 0.00 0.00 55.97 53.06 2o4g s LYS 75 Cb 0.15 -1.29 -0.07 0.00 -2.06 0.00 0.00 37.83 34.56 2o4g s LYS 75 CO 0.67 0.07 1.03 0.00 0.10 0.00 0.00 175.35 177.22 2o4g s ALA 76 N -2.91 2.86 0.40 0.59 0.00 -1.26 -4.89 121.76 116.55 2o4g s ALA 76 Ca 0.30 0.49 -0.25 0.00 0.00 0.00 0.00 51.96 52.49 2o4g s ALA 76 Cb 0.03 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 2o4g s ALA 76 CO 0.13 -0.43 1.18 0.00 0.00 0.00 0.00 175.76 176.64 2o4g s SER 78 N -1.09 4.11 0.17 0.00 1.04 0.14 -4.82 113.70 113.26 2o4g s SER 78 Ca 0.57 2.02 -0.13 0.00 0.48 0.00 0.00 55.95 58.89 2o4g s SER 78 Cb -0.31 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.32 2o4g s SER 78 CO 0.40 -2.30 1.75 -0.65 0.98 0.00 0.00 173.24 173.42 2o4g h PRO 79 N -1.05 0.81 0.00 4.02 0.11 -1.96 -1.49 132.00 132.43 2o4g h PRO 79 Ca -0.44 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 65.48 2o4g h PRO 79 Cb 1.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2o4g h PRO 79 CO 0.49 0.66 -0.32 0.78 -0.21 0.00 0.00 178.00 179.39 2o4g h GLY 80 N 0.76 0.00 0.60 -0.55 0.00 -1.95 -1.42 103.07 100.51 2o4g h GLY 80 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 2o4g h GLY 80 CO -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.44 2o4g h ALA 81 N 1.68 0.09 -0.62 3.60 0.00 -1.66 -1.49 119.26 120.86 2o4g h ALA 81 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2o4g h ALA 81 Cb 0.57 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2o4g h ALA 81 CO 0.04 -0.09 0.40 0.77 0.00 0.00 0.00 179.25 180.37 2o4g h SER 82 N -0.29 0.71 -0.39 0.00 0.02 -1.25 -0.06 113.55 112.29 2o4g h SER 82 Ca 0.01 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2o4g h SER 82 Cb 0.60 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2o4g h SER 82 CO 0.02 0.53 0.19 -0.08 -1.14 0.00 0.00 176.83 176.35 2o4g h GLU 83 N 0.84 0.56 0.06 3.45 4.81 -1.13 -0.67 114.58 122.50 2o4g h GLU 83 Ca 0.22 -0.08 -0.28 0.00 -0.13 0.00 0.00 59.36 59.09 2o4g h GLU 83 Cb -0.08 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2o4g h GLU 83 CO -0.05 0.49 -1.48 -0.84 -0.73 0.00 0.00 179.01 176.40 2o4g h ILE 84 N 0.50 1.17 0.00 2.32 3.07 -1.10 -3.36 117.51 120.11 2o4g h ILE 84 Ca 0.14 -2.89 -0.15 0.00 1.55 0.00 0.00 64.86 63.51 2o4g h ILE 84 Cb 0.11 2.68 -0.02 0.00 -0.27 0.00 0.00 36.82 39.31 2o4g h ILE 84 CO -0.02 0.77 -1.12 0.71 -1.05 0.00 0.00 178.15 177.44 2o4g h THR 85 N 0.03 0.64 -0.18 0.16 1.35 -1.05 -3.43 112.91 110.44 2o4g h THR 85 Ca -0.21 -2.10 -0.08 0.00 -0.55 0.00 0.00 66.41 63.47 2o4g h THR 85 Cb 1.96 2.17 -0.03 0.00 -1.73 0.00 0.00 68.15 70.52 2o4g h THR 85 CO 0.13 0.37 -0.07 0.61 -0.25 0.00 0.00 175.52 176.31 2o4g n GLY 86 N 1.34 0.62 3.56 5.82 0.00 -0.26 -4.75 105.19 111.52 2o4g n GLY 86 Ca -0.06 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 2o4g n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2o4g s LEU 87 N -0.84 2.98 0.10 0.99 1.43 -1.25 -5.06 118.68 117.02 2o4g s LEU 87 Ca 0.00 -0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 52.68 2o4g s LEU 87 Cb 0.00 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2o4g s LEU 87 CO 0.00 0.21 0.13 -0.94 0.23 0.00 0.00 176.35 175.98 2o4g s SER 88 N -1.95 0.23 0.05 2.29 1.04 -1.26 -4.07 113.70 110.03 2o4g s SER 88 Ca 0.19 -0.87 -0.23 0.00 0.48 0.00 0.00 55.95 55.53 2o4g s SER 88 Cb -0.11 0.31 -0.15 0.00 0.10 0.00 0.00 66.02 66.18 2o4g s SER 88 CO 0.11 -0.73 1.51 0.50 0.98 0.00 0.00 173.24 175.62 2o4g h LYS 89 N 2.83 0.13 -0.58 4.02 3.64 -1.94 -0.26 116.57 124.42 2o4g h LYS 89 Ca -0.34 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.09 2o4g h LYS 89 Cb 1.19 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 2o4g h LYS 89 CO 0.58 0.35 0.23 0.00 -2.27 0.00 0.00 179.45 178.34 2o4g h ALA 90 N 0.78 0.74 -0.07 5.00 0.00 -1.98 0.31 119.26 124.04 2o4g h ALA 90 Ca 0.02 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2o4g h ALA 90 Cb 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2o4g h ALA 90 CO 0.00 -0.16 -0.60 1.49 0.00 0.00 0.00 179.25 179.97 2o4g h GLU 91 N 0.43 0.25 -0.31 0.00 4.57 -1.95 0.12 114.58 117.69 2o4g h GLU 91 Ca 0.28 -0.17 -0.13 0.00 -1.18 0.00 0.00 59.36 58.16 2o4g h GLU 91 Cb 0.31 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2o4g h GLU 91 CO -0.26 0.78 -0.33 -0.07 -1.18 0.00 0.00 179.01 177.94 2o4g h LEU 92 N 0.19 0.72 -0.09 1.64 3.38 -0.42 -2.71 115.31 118.01 2o4g h LEU 92 Ca -0.01 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 2o4g h LEU 92 Cb 1.11 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2o4g h LEU 92 CO 0.09 0.99 -0.32 -0.33 0.09 0.00 0.00 178.44 178.97 2o4g h GLU 93 N 0.58 0.38 0.00 1.13 5.08 -0.12 -0.52 114.58 121.10 2o4g h GLU 93 Ca 0.06 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2o4g h GLU 93 Cb 0.85 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2o4g h GLU 93 CO 0.07 0.91 -0.23 -0.24 -1.00 0.00 0.00 179.01 178.53 2o4g h VAL 94 N -0.08 0.73 -0.37 3.13 3.04 -0.83 -0.98 116.25 120.90 2o4g h VAL 94 Ca -0.01 -0.94 -0.03 0.00 -1.01 0.00 0.00 66.70 64.70 2o4g h VAL 94 Cb 0.95 1.59 -0.02 0.00 -2.01 0.00 0.00 31.29 31.79 2o4g h VAL 94 CO 0.07 0.22 0.04 0.00 -1.01 0.00 0.00 177.57 176.89 2o4g n GLN 95 N -3.65 3.19 -1.54 4.17 6.02 -1.02 -4.93 117.38 119.63 2o4g n GLN 95 Ca -0.01 -1.89 -0.14 0.00 -0.01 0.00 0.00 57.00 54.94 2o4g n GLN 95 Cb 0.35 -1.94 -0.05 0.00 1.02 0.00 0.00 30.24 29.62 2o4g n GLN 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2o4g n GLY 96 N 0.29 1.26 3.77 1.08 0.00 -0.37 -4.98 105.19 106.23 2o4g n GLY 96 Ca 0.19 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 2o4g n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o4g s ARG 97 N -3.43 4.29 0.36 1.61 1.81 -0.21 -5.02 118.95 118.37 2o4g s ARG 97 Ca 0.00 2.03 0.04 0.00 -1.72 0.00 0.00 55.73 56.08 2o4g s ARG 97 Cb 0.00 -2.96 -0.01 0.00 -0.45 0.00 0.00 34.95 31.53 2o4g s ARG 97 CO 0.00 -0.18 0.53 -0.65 -0.68 0.00 0.00 175.30 174.32 2o4g s GLN 98 N -1.90 3.18 0.89 3.54 -0.21 -1.26 -4.33 119.66 119.56 2o4g s GLN 98 Ca 0.51 -0.74 -0.11 0.00 0.02 0.00 0.00 55.36 55.04 2o4g s GLN 98 Cb -0.36 -2.72 0.13 0.00 1.00 0.00 0.00 33.01 31.05 2o4g s GLN 98 CO 0.47 0.00 1.09 1.03 -2.12 0.00 0.00 175.29 175.76 2o4g s ARG 99 N -4.29 1.30 -0.69 2.91 1.81 -1.26 -1.15 118.95 117.58 2o4g s ARG 99 Ca 0.44 0.83 -0.26 0.00 -1.72 0.00 0.00 55.73 55.03 2o4g s ARG 99 Cb -0.10 -1.81 -0.04 0.00 -0.45 0.00 0.00 34.95 32.55 2o4g s ARG 99 CO 0.34 -2.22 1.98 0.12 -0.68 0.00 0.00 175.30 174.84 2o4g s PHE 100 N -2.93 1.60 0.29 -0.53 5.36 -1.26 -4.85 117.98 115.65 2o4g s PHE 100 Ca 0.63 0.91 0.02 0.00 -0.96 0.00 0.00 56.93 57.53 2o4g s PHE 100 Cb -0.18 -3.98 -0.01 0.00 -0.34 0.00 0.00 43.02 38.52 2o4g s PHE 100 CO 0.57 -2.13 0.08 -0.40 -1.46 0.00 0.00 175.22 171.88 2o4g n ASP 101 N 13.83 1.45 -0.26 6.13 5.68 -1.26 -4.96 116.55 137.16 2o4g n ASP 101 Ca 0.29 -2.48 -0.02 0.00 -0.50 0.00 0.00 54.79 52.09 2o4g n ASP 101 Cb 0.50 0.62 0.10 0.00 -1.14 0.00 0.00 41.12 41.20 2o4g n ASP 101 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2o4g h ASP 102 N 1.06 0.72 -0.94 -1.12 3.32 -1.99 -2.04 116.42 115.42 2o4g h ASP 102 Ca -0.23 0.01 0.09 0.00 0.02 0.00 0.00 57.03 56.92 2o4g h ASP 102 Cb 0.83 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.17 2o4g h ASP 102 CO 0.36 0.48 0.61 -1.13 -1.72 0.00 0.00 179.24 177.84 2o4g h ASN 103 N 0.85 0.91 -0.22 6.45 -1.24 -1.96 -0.36 115.58 120.01 2o4g h ASN 103 Ca 0.31 0.02 -0.10 0.00 0.71 0.00 0.00 56.30 57.24 2o4g h ASN 103 Cb 0.09 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 2o4g h ASN 103 CO -0.14 0.55 -0.20 0.25 -1.29 0.00 0.00 177.43 176.60 2o4g h LEU 104 N 1.01 0.66 -0.70 0.34 5.85 -1.77 -1.49 115.31 119.21 2o4g h LEU 104 Ca 0.43 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2o4g h LEU 104 Cb 0.31 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2o4g h LEU 104 CO -0.18 0.86 0.42 0.00 -0.34 0.00 0.00 178.44 179.20 2o4g h ALA 105 N 1.20 0.89 -0.32 1.25 0.00 -0.43 -1.18 119.26 120.67 2o4g h ALA 105 Ca 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2o4g h ALA 105 Cb 0.66 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2o4g h ALA 105 CO 0.05 0.37 0.12 0.82 0.00 0.00 0.00 179.25 180.60 2o4g h ILE 106 N 0.96 1.19 -0.25 0.00 2.04 -1.05 -0.47 117.51 119.93 2o4g h ILE 106 Ca 0.25 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.56 2o4g h ILE 106 Cb -0.03 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 2o4g h ILE 106 CO -0.05 0.21 -0.11 0.25 0.00 0.00 0.00 178.15 178.46 2o4g h LEU 107 N 0.36 -0.36 -0.11 1.44 5.85 -1.13 0.83 115.31 122.19 2o4g h LEU 107 Ca 0.11 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.93 2o4g h LEU 107 Cb 0.21 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2o4g h LEU 107 CO -0.01 -0.14 0.02 -0.07 -0.34 0.00 0.00 178.44 177.90 2o4g h LEU 108 N -0.07 -0.00 -0.11 2.25 3.38 -1.13 -0.15 115.31 119.48 2o4g h LEU 108 Ca 0.13 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2o4g h LEU 108 Cb 0.26 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2o4g h LEU 108 CO -0.29 0.02 0.04 -0.09 0.09 0.00 0.00 178.44 178.20 2o4g h ARG 109 N 0.06 0.09 -0.60 1.13 2.43 -0.86 -0.36 114.38 116.27 2o4g h ARG 109 Ca 0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2o4g h ARG 109 Cb 0.04 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2o4g h ARG 109 CO -0.07 0.06 0.36 0.00 -1.51 0.00 0.00 179.97 178.81 2o4g h ALA 110 N 1.07 0.77 -0.28 2.80 0.00 -0.62 0.44 119.26 123.43 2o4g h ALA 110 Ca 0.05 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2o4g h ALA 110 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2o4g h ALA 110 CO -0.05 0.26 0.14 0.35 0.00 0.00 0.00 179.25 179.95 2o4g h PHE 111 N 0.81 0.26 -0.28 0.00 3.57 -0.87 -2.92 116.94 117.50 2o4g h PHE 111 Ca 0.22 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 2o4g h PHE 111 Cb -0.01 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 2o4g h PHE 111 CO -0.02 0.14 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.02 2o4g h LEU 112 N 0.29 0.45 -1.75 0.59 3.38 -0.50 -2.53 115.31 115.24 2o4g h LEU 112 Ca 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2o4g h LEU 112 Cb 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2o4g h LEU 112 CO -0.08 0.60 0.00 -0.61 0.09 0.00 0.00 178.44 178.44 2o4g h GLN 113 N 0.44 0.00 0.00 1.13 4.15 -0.75 -1.69 115.11 118.39 2o4g h GLN 113 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 2o4g h GLN 113 Cb 0.46 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.15 2o4g h GLN 113 CO 0.03 0.00 0.00 0.54 -1.93 0.00 0.00 178.83 177.47 2o4g n ARG 114 N -2.95 0.12 -3.61 1.69 1.74 -0.95 -4.83 116.66 107.87 2o4g n ARG 114 Ca -0.00 0.20 -0.38 0.00 -0.77 0.00 0.00 57.85 56.90 2o4g n ARG 114 Cb 0.23 -1.67 -0.06 0.00 -1.02 0.00 0.00 32.46 29.93 2o4g n ARG 114 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2o4g s GLN 115 N -3.10 3.80 0.45 5.56 -1.52 -0.64 -5.07 119.66 119.15 2o4g s GLN 115 Ca 0.10 0.24 -0.24 0.00 -1.95 0.00 0.00 55.36 53.51 2o4g s GLN 115 Cb 0.13 -3.23 -0.07 0.00 -0.22 0.00 0.00 33.01 29.62 2o4g s GLN 115 CO 0.47 0.69 1.21 -1.25 -0.25 0.00 0.00 175.29 176.16 2o4g s PRO 116 N -0.96 3.76 0.18 2.91 0.04 -1.26 -5.02 135.00 134.65 2o4g s PRO 116 Ca 0.21 1.91 0.08 0.00 0.04 0.00 0.00 61.00 63.23 2o4g s PRO 116 Cb -0.15 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 2o4g s PRO 116 CO 0.10 -0.59 -0.03 -0.65 0.04 0.00 0.00 177.00 175.88 2o4g s GLN 117 N -2.58 2.30 0.67 4.56 -1.52 -1.26 -3.77 119.66 118.06 2o4g s GLN 117 Ca 0.62 -1.18 -0.14 0.00 -1.95 0.00 0.00 55.36 52.71 2o4g s GLN 117 Cb -0.32 -2.29 0.01 0.00 -0.22 0.00 0.00 33.01 30.19 2o4g s GLN 117 CO 0.39 0.44 1.10 -1.25 -0.25 0.00 0.00 175.29 175.72 2o4g s PRO 118 N -2.99 2.78 -0.10 2.91 0.04 -1.26 -4.59 135.00 131.80 2o4g s PRO 118 Ca 0.27 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.63 2o4g s PRO 118 Cb -0.09 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2o4g s PRO 118 CO 0.18 -1.25 -0.19 0.00 0.04 0.00 0.00 177.00 175.78 2o4g s LEU 121 N 1.27 4.48 -0.12 0.00 1.43 0.03 -0.75 118.68 125.02 2o4g s LEU 121 Ca 0.03 2.32 0.01 0.00 -1.03 0.00 0.00 54.13 55.46 2o4g s LEU 121 Cb -0.13 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.49 2o4g s LEU 121 CO -0.11 -0.32 -0.13 -0.69 0.23 0.00 0.00 176.35 175.34 2o4g s VAL 122 N -0.62 1.39 -0.08 -1.59 1.01 0.17 -1.40 120.40 119.27 2o4g s VAL 122 Ca 0.49 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 2o4g s VAL 122 Cb -0.34 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 34.76 2o4g s VAL 122 CO 0.41 0.43 0.20 0.00 0.00 0.00 0.00 175.10 176.14 2o4g s ALA 123 N 1.36 -0.46 -0.16 5.51 0.00 -1.11 -0.28 121.76 126.61 2o4g s ALA 123 Ca 0.01 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 2o4g s ALA 123 Cb -0.13 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 2o4g s ALA 123 CO -0.07 -0.14 1.31 -1.58 0.00 0.00 0.00 175.76 175.28 2o4g s HIS 124 N 0.70 2.74 -1.61 0.00 5.65 -1.26 -1.86 115.29 119.66 2o4g s HIS 124 Ca -0.05 0.92 0.00 0.00 0.25 0.00 0.00 55.06 56.18 2o4g s HIS 124 Cb -0.06 -3.57 0.00 0.00 -1.18 0.00 0.00 32.58 27.77 2o4g s HIS 124 CO -0.04 -1.93 0.00 -1.71 -0.65 0.00 0.00 174.74 170.41 2o4g n ASN 125 N 6.73 -5.25 -0.02 9.88 4.05 -1.26 -4.84 115.26 124.54 2o4g n ASN 125 Ca 0.14 0.06 -0.01 0.00 0.45 0.00 0.00 54.58 55.23 2o4g n ASN 125 Cb 0.45 -4.32 0.27 0.00 1.23 0.00 0.00 39.78 37.41 2o4g n ASN 125 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2o4g h GLY 126 N 0.00 0.63 1.87 8.20 0.00 -1.74 -1.43 103.07 110.61 2o4g h GLY 126 Ca -0.42 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.46 2o4g h GLY 126 CO 0.51 0.35 -0.33 -0.55 0.00 0.00 0.00 176.54 176.52 2o4g h ASP 127 N 0.56 0.15 -0.00 0.19 3.32 -1.90 0.32 116.42 119.05 2o4g h ASP 127 Ca 0.12 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2o4g h ASP 127 Cb 0.33 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2o4g h ASP 127 CO 0.01 0.48 -0.76 0.54 -1.72 0.00 0.00 179.24 177.79 2o4g n ARG 128 N -4.11 1.50 0.00 3.56 1.74 -1.16 -4.55 116.66 113.64 2o4g n ARG 128 Ca -0.01 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2o4g n ARG 128 Cb 0.40 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 2o4g n ARG 128 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2o4g n TYR 129 N -1.30 0.00 -0.11 -1.55 9.36 -0.55 -4.88 117.16 118.13 2o4g n TYR 129 Ca 0.03 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.15 2o4g n TYR 129 Cb 0.27 0.21 -0.03 0.00 -0.63 0.00 0.00 39.34 39.16 2o4g n TYR 129 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 2o4g h ASP 130 N 0.00 0.53 0.02 2.98 3.45 -1.58 -2.07 116.42 119.75 2o4g h ASP 130 Ca 0.00 -0.29 -0.00 0.00 0.43 0.00 0.00 57.03 57.17 2o4g h ASP 130 Cb 0.00 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.63 2o4g h ASP 130 CO 0.00 0.69 -0.01 -0.26 -1.57 0.00 0.00 179.24 178.08 2o4g h PHE 131 N 0.36 -0.03 -0.53 4.55 0.05 -0.68 -1.51 116.94 119.15 2o4g h PHE 131 Ca 0.09 -0.00 0.09 0.00 3.82 0.00 0.00 57.97 61.97 2o4g h PHE 131 Cb 0.40 0.01 -0.07 0.00 2.00 0.00 0.00 35.95 38.29 2o4g h PHE 131 CO 0.03 0.46 0.13 -1.35 -0.18 0.00 0.00 178.31 177.40 2o4g h PRO 132 N -0.53 0.27 -0.41 1.51 0.11 -1.70 -0.79 132.00 130.46 2o4g h PRO 132 Ca -0.00 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 2o4g h PRO 132 Cb 0.50 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 2o4g h PRO 132 CO 0.01 0.18 0.03 1.25 -0.21 0.00 0.00 178.00 179.25 2o4g h LEU 133 N 0.28 0.69 -1.05 2.35 5.85 -1.34 -1.52 115.31 120.58 2o4g h LEU 133 Ca 0.27 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.71 2o4g h LEU 133 Cb 0.36 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2o4g h LEU 133 CO -0.33 0.81 0.64 0.25 -0.34 0.00 0.00 178.44 179.47 2o4g h LEU 134 N 0.55 1.11 -0.91 2.25 5.85 -1.09 -1.60 115.31 121.46 2o4g h LEU 134 Ca 0.12 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2o4g h LEU 134 Cb 0.44 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2o4g h LEU 134 CO 0.02 0.80 0.19 -0.61 -0.34 0.00 0.00 178.44 178.49 2o4g h GLN 135 N 1.30 0.99 -0.49 1.25 5.75 -0.79 -1.68 115.11 121.44 2o4g h GLN 135 Ca 0.36 -0.20 -0.11 0.00 -0.15 0.00 0.00 58.65 58.55 2o4g h GLN 135 Cb -0.13 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.25 2o4g h GLN 135 CO -0.08 0.86 -0.12 1.15 -2.65 0.00 0.00 178.83 177.99 2o4g h THR 136 N 0.95 1.26 -0.33 2.39 2.02 -0.81 -1.51 112.91 116.88 2o4g h THR 136 Ca 0.21 -1.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.05 2o4g h THR 136 Cb 0.29 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2o4g h THR 136 CO -0.01 0.43 -0.18 -0.33 0.37 0.00 0.00 175.52 175.80 2o4g h GLU 137 N 0.81 0.71 0.00 6.66 4.39 -1.06 -3.16 114.58 122.94 2o4g h GLU 137 Ca 0.13 -0.32 -0.09 0.00 0.34 0.00 0.00 59.36 59.42 2o4g h GLU 137 Cb 0.65 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2o4g h GLU 137 CO 0.05 0.92 -0.44 -0.07 -1.16 0.00 0.00 179.01 178.31 2o4g h LEU 138 N 0.49 0.00 -1.29 1.33 3.38 -1.28 -2.94 115.31 114.99 2o4g h LEU 138 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2o4g h LEU 138 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2o4g h LEU 138 CO 0.05 0.44 0.00 0.00 0.09 0.00 0.00 178.44 179.02 2o4g h ALA 139 N 1.56 1.00 0.00 1.53 0.00 -1.24 -2.49 119.26 119.63 2o4g h ALA 139 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2o4g h ALA 139 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2o4g h ALA 139 CO 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 179.25 179.16 2o4g h ARG 140 N 0.00 0.00 -6.88 0.00 3.08 -1.54 -3.47 114.38 105.57 2o4g h ARG 140 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 2o4g h ARG 140 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2o4g h ARG 140 CO 0.00 0.00 0.18 -0.51 -1.07 0.00 0.00 179.97 178.57 2o4g s LEU 141 N -4.54 3.91 0.18 3.04 1.43 -0.94 -4.99 118.68 116.77 2o4g s LEU 141 Ca 0.09 1.34 -0.01 0.00 -1.03 0.00 0.00 54.13 54.52 2o4g s LEU 141 Cb 0.12 -4.19 0.05 0.00 0.03 0.00 0.00 46.19 42.20 2o4g s LEU 141 CO 0.63 -0.34 1.43 0.77 0.23 0.00 0.00 176.35 179.06 2o4g h SER 142 N 1.71 0.45 -3.83 2.29 4.64 -1.91 -3.46 113.55 113.44 2o4g h SER 142 Ca -0.48 -0.30 -0.48 0.00 -0.47 0.00 0.00 61.79 60.06 2o4g h SER 142 Cb 1.18 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 2o4g h SER 142 CO 0.64 1.05 0.37 0.42 -0.87 0.00 0.00 176.83 178.43 2o4g s THR 143 N -3.55 4.01 0.52 2.95 -4.23 -1.26 -5.01 115.64 109.07 2o4g s THR 143 Ca -0.05 1.83 -0.20 0.00 -1.18 0.00 0.00 61.69 62.09 2o4g s THR 143 Cb 0.10 -4.09 -0.09 0.00 1.34 0.00 0.00 72.50 69.76 2o4g s THR 143 CO 0.84 0.29 0.71 -2.65 -0.54 0.00 0.00 174.62 173.27 2o4g n PRO 144 N 0.93 0.77 -1.71 3.99 -0.02 -1.26 -4.86 135.00 132.84 2o4g n PRO 144 Ca 0.00 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 2o4g n PRO 144 Cb 0.48 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 2o4g n PRO 144 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2o4g n SER 145 N 0.39 3.98 0.14 2.55 2.88 -1.26 -4.89 113.62 117.41 2o4g n SER 145 Ca 0.12 1.03 0.12 0.00 -1.33 0.00 0.00 58.87 58.81 2o4g n SER 145 Cb 0.44 -1.56 0.51 0.00 -0.75 0.00 0.00 64.21 62.86 2o4g n SER 145 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2o4g n PRO 146 N 4.60 0.20 0.00 -1.46 -0.04 -1.26 -3.14 135.00 133.89 2o4g n PRO 146 Ca 0.17 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.21 2o4g n PRO 146 Cb 0.35 -1.91 0.32 0.00 -0.04 0.00 0.00 33.50 32.23 2o4g n PRO 146 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2o4g n LEU 147 N -2.29 1.87 0.00 1.53 4.77 -1.26 -4.70 117.00 116.91 2o4g n LEU 147 Ca 0.02 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 2o4g n LEU 147 Cb 0.22 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2o4g n LEU 147 CO 0.19 0.32 0.00 -0.90 -1.33 0.00 0.00 177.39 175.67 2o4g n ASP 148 N 0.29 0.00 -1.85 -1.43 5.68 -1.19 -1.92 116.55 116.14 2o4g n ASP 148 Ca 0.15 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.43 2o4g n ASP 148 Cb 0.43 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.73 2o4g n ASP 148 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2o4g n GLY 149 N -0.27 3.19 3.94 6.12 0.00 -1.26 -4.28 105.19 112.63 2o4g n GLY 149 Ca 0.00 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 2o4g n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2o4g s THR 150 N -2.68 5.11 0.47 2.61 -4.23 -0.81 -4.67 115.64 111.44 2o4g s THR 150 Ca 0.50 -0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.66 2o4g s THR 150 Cb 0.39 -3.84 0.01 0.00 1.34 0.00 0.00 72.50 70.39 2o4g s THR 150 CO 0.13 -0.51 0.43 -0.36 -0.54 0.00 0.00 174.62 173.77 2o4g s PHE 151 N -2.26 2.25 0.11 3.99 0.40 0.91 -1.39 117.98 121.98 2o4g s PHE 151 Ca 0.40 -0.62 -0.17 0.00 -0.60 0.00 0.00 56.93 55.94 2o4g s PHE 151 Cb -0.10 -2.10 0.04 0.00 0.51 0.00 0.00 43.02 41.37 2o4g s PHE 151 CO 0.35 -0.33 0.41 0.00 0.70 0.00 0.00 175.22 176.35 2o4g s VAL 153 N -3.46 -0.00 -0.16 0.00 0.11 -0.50 -2.20 120.40 114.19 2o4g s VAL 153 Ca 0.01 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.83 2o4g s VAL 153 Cb 0.01 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 2o4g s VAL 153 CO -0.10 0.00 0.73 -0.62 -3.33 0.00 0.00 175.10 171.78 2o4g s ASP 154 N 0.38 6.85 0.51 3.54 -1.08 -1.26 -2.76 116.67 122.84 2o4g s ASP 154 Ca -0.01 1.04 0.29 0.00 -0.52 0.00 0.00 52.55 53.35 2o4g s ASP 154 Cb -0.04 -2.40 1.30 0.00 -1.46 0.00 0.00 42.92 40.32 2o4g s ASP 154 CO -0.00 -0.30 1.98 0.77 0.52 0.00 0.00 175.17 178.14 2o4g h SER 155 N 7.30 0.00 -0.23 -0.34 4.64 -1.74 -2.87 113.55 120.31 2o4g h SER 155 Ca -0.32 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 2o4g h SER 155 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2o4g h SER 155 CO 0.80 0.12 0.05 0.40 -0.87 0.00 0.00 176.83 177.33 2o4g h ILE 156 N 0.00 1.22 -0.61 0.95 2.04 -1.93 0.61 117.51 119.79 2o4g h ILE 156 Ca -0.00 -0.71 0.05 0.00 1.00 0.00 0.00 64.86 65.20 2o4g h ILE 156 Cb 0.51 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 2o4g h ILE 156 CO 0.02 0.22 0.32 0.00 0.00 0.00 0.00 178.15 178.71 2o4g h ALA 157 N 0.87 0.80 -0.10 1.87 0.00 -1.91 -1.90 119.26 118.88 2o4g h ALA 157 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2o4g h ALA 157 Cb 0.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2o4g h ALA 157 CO 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.23 2o4g h ALA 158 N 1.32 0.13 -0.45 0.00 0.00 -1.29 -2.11 119.26 116.85 2o4g h ALA 158 Ca 0.27 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2o4g h ALA 158 Cb 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2o4g h ALA 158 CO -0.18 -0.17 0.04 -0.07 0.00 0.00 0.00 179.25 178.88 2o4g h LEU 159 N -0.12 0.67 0.49 0.00 -0.00 -0.83 -0.98 115.31 114.54 2o4g h LEU 159 Ca 0.03 -0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 57.75 2o4g h LEU 159 Cb 0.38 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 40.86 2o4g h LEU 159 CO 0.01 0.71 -0.30 0.11 -0.00 0.00 0.00 178.44 178.97 2o4g h LYS 160 N 0.68 -0.73 -0.78 1.13 1.57 -1.31 -1.28 116.57 115.85 2o4g h LYS 160 Ca 0.14 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 2o4g h LYS 160 Cb 0.36 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 2o4g h LYS 160 CO 0.01 -0.49 0.52 0.00 -0.57 0.00 0.00 179.45 178.92 2o4g h ALA 161 N -0.30 1.50 0.53 3.86 0.00 -0.96 0.48 119.26 124.36 2o4g h ALA 161 Ca -0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2o4g h ALA 161 Cb 0.62 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2o4g h ALA 161 CO 0.06 0.43 -0.25 -0.07 0.00 0.00 0.00 179.25 179.42 2o4g h LEU 162 N 0.99 -0.60 -0.86 0.00 3.38 -1.18 -3.24 115.31 113.79 2o4g h LEU 162 Ca 0.30 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.45 2o4g h LEU 162 Cb -0.01 0.15 -0.16 0.00 0.09 0.00 0.00 40.66 40.74 2o4g h LEU 162 CO -0.08 -0.33 -0.29 -0.08 0.09 0.00 0.00 178.44 177.76 2o4g h GLU 163 N -0.91 -0.03 -4.81 1.13 4.81 -0.94 -2.98 114.58 110.85 2o4g h GLU 163 Ca -0.07 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.48 2o4g h GLU 163 Cb 0.54 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 2o4g h GLU 163 CO 0.12 -0.02 2.64 1.04 -0.73 0.00 0.00 179.01 182.06 2o4g n GLN 164 N -5.52 2.85 0.00 1.92 6.02 0.16 -5.09 117.38 117.73 2o4g n GLN 164 Ca 0.11 -2.81 0.00 0.00 -0.01 0.00 0.00 57.00 54.28 2o4g n GLN 164 Cb 0.42 -3.37 0.00 0.00 1.02 0.00 0.00 30.24 28.31 2o4g n GLN 164 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2o4g n ALA 165 N 7.43 0.00 -0.04 -1.58 0.00 -1.13 -4.83 120.51 120.36 2o4g n ALA 165 Ca 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.88 2o4g n ALA 165 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 2o4g n ALA 165 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2o4g n LYS 175 N 0.00 0.19 -2.85 0.00 4.76 -1.26 -5.17 118.16 113.84 2o4g n LYS 175 Ca 0.00 0.05 -0.41 0.00 -2.87 0.00 0.00 58.31 55.08 2o4g n LYS 175 Cb 0.08 -1.09 -0.04 0.00 -1.84 0.00 0.00 35.03 32.14 2o4g n LYS 175 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2o4g s SER 176 N -4.95 7.32 -0.21 4.39 0.15 -1.26 -4.97 113.70 114.17 2o4g s SER 176 Ca -0.11 1.58 0.14 0.00 0.70 0.00 0.00 55.95 58.27 2o4g s SER 176 Cb 0.03 -2.52 0.48 0.00 -1.71 0.00 0.00 66.02 62.29 2o4g s SER 176 CO 0.17 -0.09 1.38 -1.22 1.20 0.00 0.00 173.24 174.69 2o4g n TYR 177 N 3.16 0.79 -1.20 3.44 4.01 -1.26 -4.47 117.16 121.63 2o4g n TYR 177 Ca 0.01 -1.15 -0.34 0.00 -0.16 0.00 0.00 57.90 56.26 2o4g n TYR 177 Cb 0.50 -0.34 0.12 0.00 -0.31 0.00 0.00 39.34 39.31 2o4g n TYR 177 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2o4g s SER 178 N -2.34 3.74 0.28 7.72 1.04 -1.26 -4.86 113.70 118.02 2o4g s SER 178 Ca 0.41 2.37 -0.02 0.00 0.48 0.00 0.00 55.95 59.19 2o4g s SER 178 Cb 0.35 -2.59 0.42 0.00 0.10 0.00 0.00 66.02 64.30 2o4g s SER 178 CO 0.04 -2.57 1.92 0.25 0.98 0.00 0.00 173.24 173.86 2o4g h LEU 179 N -0.73 1.01 -0.45 2.42 5.85 -1.99 -2.68 115.31 118.74 2o4g h LEU 179 Ca -0.47 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.09 2o4g h LEU 179 Cb 1.30 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2o4g h LEU 179 CO 0.47 0.68 -0.36 1.23 -0.34 0.00 0.00 178.44 180.12 2o4g h GLY 180 N 1.16 0.98 1.04 3.75 0.00 -1.98 -2.40 103.07 105.63 2o4g h GLY 180 Ca 0.38 -0.98 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 2o4g h GLY 180 CO -0.12 0.88 0.06 1.76 0.00 0.00 0.00 176.54 179.12 2o4g h SER 181 N 0.74 0.96 -0.22 0.19 0.02 -1.81 -2.11 113.55 111.33 2o4g h SER 181 Ca 0.07 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2o4g h SER 181 Cb 0.94 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 2o4g h SER 181 CO 0.09 1.00 -0.05 0.40 -1.14 0.00 0.00 176.83 177.13 2o4g h ILE 182 N 0.89 1.28 -0.53 3.27 2.04 -1.42 -2.24 117.51 120.81 2o4g h ILE 182 Ca 0.17 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 65.01 2o4g h ILE 182 Cb 0.47 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 2o4g h ILE 182 CO 0.02 0.32 0.33 0.22 0.00 0.00 0.00 178.15 179.04 2o4g h TYR 183 N 0.15 0.63 0.00 1.37 3.20 -1.39 -1.46 116.97 119.46 2o4g h TYR 183 Ca 0.05 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 2o4g h TYR 183 Cb 0.50 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2o4g h TYR 183 CO 0.05 0.38 -0.34 1.79 -1.64 0.00 0.00 178.16 178.40 2o4g h THR 184 N 0.67 0.68 -0.31 1.81 1.35 -1.40 0.11 112.91 115.82 2o4g h THR 184 Ca 0.20 -1.60 -0.10 0.00 -0.55 0.00 0.00 66.41 64.37 2o4g h THR 184 Cb -0.03 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 2o4g h THR 184 CO -0.07 0.33 -0.18 0.03 -0.25 0.00 0.00 175.52 175.38 2o4g h ARG 185 N 0.00 0.68 -0.21 4.72 3.08 -1.09 -0.21 114.38 121.35 2o4g h ARG 185 Ca -0.00 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 59.62 2o4g h ARG 185 Cb 1.04 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 2o4g h ARG 185 CO 0.04 0.91 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.46 2o4g h LEU 186 N 0.44 0.65 0.00 3.04 3.38 -1.04 -3.40 115.31 118.38 2o4g h LEU 186 Ca 0.07 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2o4g h LEU 186 Cb 0.72 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2o4g h LEU 186 CO 0.05 1.04 -0.29 -1.22 0.09 0.00 0.00 178.44 178.11 2o4g n TYR 187 N -4.31 0.00 -2.08 1.13 0.53 0.37 -4.35 117.16 108.45 2o4g n TYR 187 Ca -0.05 0.00 -0.20 0.00 -1.02 0.00 0.00 57.90 56.63 2o4g n TYR 187 Cb 0.49 -0.01 -0.04 0.00 -1.03 0.00 0.00 39.34 38.75 2o4g n TYR 187 CO 0.00 0.00 0.00 0.91 -1.02 0.00 0.00 176.86 176.75 2o4g n TRP 188 N -1.15 -0.59 -4.18 -0.72 7.02 -0.09 -4.87 117.44 112.85 2o4g n TRP 188 Ca 0.01 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.33 2o4g n TRP 188 Cb 0.07 -3.66 -0.13 0.00 -2.42 0.00 0.00 31.31 25.18 2o4g n TRP 188 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2o4g s GLN 189 N -4.51 0.61 0.38 -0.99 -0.21 -1.26 -5.05 119.66 108.64 2o4g s GLN 189 Ca 0.00 -0.56 -0.26 0.00 0.02 0.00 0.00 55.36 54.56 2o4g s GLN 189 Cb 0.00 -0.51 -0.09 0.00 1.00 0.00 0.00 33.01 33.41 2o4g s GLN 189 CO 0.00 0.12 1.25 0.00 -2.12 0.00 0.00 175.29 174.54 2o4g s ALA 190 N -0.80 3.28 0.91 6.09 0.00 -1.26 -3.88 121.76 126.09 2o4g s ALA 190 Ca -0.03 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 2o4g s ALA 190 Cb -0.07 -3.44 0.13 0.00 0.00 0.00 0.00 23.12 19.74 2o4g s ALA 190 CO 0.00 -0.66 1.09 -1.25 0.00 0.00 0.00 175.76 174.94 2o4g s PRO 191 N -2.13 1.18 0.10 0.00 0.04 -1.26 -5.03 135.00 127.90 2o4g s PRO 191 Ca 0.55 0.92 0.06 0.00 0.04 0.00 0.00 61.00 62.57 2o4g s PRO 191 Cb -0.36 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2o4g s PRO 191 CO 0.46 -2.33 -0.04 0.95 0.04 0.00 0.00 177.00 176.09 2o4g s THR 192 N -2.87 3.75 -1.24 1.26 -4.23 -1.26 -4.72 115.64 106.33 2o4g s THR 192 Ca 0.64 -1.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.00 2o4g s THR 192 Cb -0.19 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.87 2o4g s THR 192 CO 0.57 0.10 0.98 0.47 -0.54 0.00 0.00 174.62 176.20 2o4g n ASP 193 N 0.55 -2.44 -4.77 3.99 8.00 -1.26 -4.67 116.55 115.96 2o4g n ASP 193 Ca -0.12 -0.64 -0.39 0.00 0.71 0.00 0.00 54.79 54.35 2o4g n ASP 193 Cb 0.52 -4.94 -0.00 0.00 -0.02 0.00 0.00 41.12 36.69 2o4g n ASP 193 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2o4g s SER 194 N -4.23 6.19 -1.70 -2.24 0.01 -1.26 -2.79 113.70 107.69 2o4g s SER 194 Ca 0.08 2.58 -0.01 0.00 1.31 0.00 0.00 55.95 59.91 2o4g s SER 194 Cb -0.04 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2o4g s SER 194 CO 0.74 -0.93 0.13 1.41 0.41 0.00 0.00 173.24 175.01 2o4g n HIS 195 N -0.11 -1.23 -4.62 2.43 8.25 -1.26 -4.87 115.22 113.80 2o4g n HIS 195 Ca 0.05 0.11 -0.32 0.00 -0.26 0.00 0.00 57.72 57.30 2o4g n HIS 195 Cb 0.45 -4.01 -0.11 0.00 1.12 0.00 0.00 29.99 27.43 2o4g n HIS 195 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2o4g s THR 196 N -3.05 3.42 0.15 1.59 -4.23 -1.12 -4.26 115.64 108.13 2o4g s THR 196 Ca 0.07 -0.75 -0.17 0.00 -1.18 0.00 0.00 61.69 59.66 2o4g s THR 196 Cb -0.03 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2o4g s THR 196 CO 0.08 0.48 1.75 0.00 -0.54 0.00 0.00 174.62 176.39 2o4g h ALA 197 N 4.88 0.34 -0.27 3.99 0.00 -1.88 -1.09 119.26 125.23 2o4g h ALA 197 Ca -0.48 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 2o4g h ALA 197 Cb 1.16 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2o4g h ALA 197 CO 0.52 -0.31 -0.05 1.49 0.00 0.00 0.00 179.25 180.90 2o4g h GLU 198 N 0.22 0.52 -0.74 0.00 4.81 -1.91 -1.03 114.58 116.44 2o4g h GLU 198 Ca 0.14 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2o4g h GLU 198 Cb 0.12 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2o4g h GLU 198 CO -0.15 0.72 0.39 0.78 -0.73 0.00 0.00 179.01 180.01 2o4g h GLY 199 N 0.28 1.12 1.16 1.92 0.00 -1.72 -0.27 103.07 105.56 2o4g h GLY 199 Ca 0.07 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 2o4g h GLY 199 CO 0.02 0.50 -0.07 -0.55 0.00 0.00 0.00 176.54 176.45 2o4g h ASP 200 N 1.03 0.99 -0.83 0.19 3.32 -1.14 -1.09 116.42 118.89 2o4g h ASP 200 Ca 0.26 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 2o4g h ASP 200 Cb 0.07 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 2o4g h ASP 200 CO -0.04 1.08 0.43 0.58 -1.72 0.00 0.00 179.24 179.57 2o4g h VAL 201 N 0.90 1.25 -0.28 -1.35 2.07 -0.86 -0.75 116.25 117.22 2o4g h VAL 201 Ca 0.15 -0.65 -0.17 0.00 0.82 0.00 0.00 66.70 66.85 2o4g h VAL 201 Cb 0.62 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2o4g h VAL 201 CO 0.04 0.29 -0.49 -0.07 0.02 0.00 0.00 177.57 177.36 2o4g h LEU 202 N 1.17 0.85 -0.62 2.57 3.38 -0.83 -0.72 115.31 121.11 2o4g h LEU 202 Ca 0.29 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2o4g h LEU 202 Cb 0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2o4g h LEU 202 CO -0.04 1.19 0.16 0.74 0.09 0.00 0.00 178.44 180.58 2o4g h THR 203 N 0.61 1.25 -0.49 0.22 2.02 -1.07 -1.46 112.91 113.98 2o4g h THR 203 Ca 0.03 -0.90 -0.08 0.00 0.77 0.00 0.00 66.41 66.23 2o4g h THR 203 Cb 1.06 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2o4g h THR 203 CO 0.10 0.34 0.01 0.25 0.37 0.00 0.00 175.52 176.59 2o4g h LEU 204 N 0.91 0.84 -0.31 2.58 5.85 -1.02 -2.49 115.31 121.68 2o4g h LEU 204 Ca 0.20 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.65 2o4g h LEU 204 Cb 0.34 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2o4g h LEU 204 CO 0.00 0.94 0.09 0.25 -0.34 0.00 0.00 178.44 179.37 2o4g h LEU 205 N 0.72 0.07 -0.83 2.25 5.85 -1.00 -0.93 115.31 121.44 2o4g h LEU 205 Ca 0.14 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.99 2o4g h LEU 205 Cb 0.50 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 2o4g h LEU 205 CO 0.02 0.07 0.48 0.28 -0.34 0.00 0.00 178.44 178.96 2o4g h SER 206 N 0.21 0.70 -0.43 1.25 0.02 -1.12 -0.95 113.55 113.23 2o4g h SER 206 Ca 0.14 0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 61.00 2o4g h SER 206 Cb 0.13 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2o4g h SER 206 CO -0.16 0.41 -0.26 0.40 -1.14 0.00 0.00 176.83 176.07 2o4g h ILE 207 N 0.82 1.27 0.00 3.27 2.04 -1.07 -2.96 117.51 120.88 2o4g h ILE 207 Ca 0.40 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.83 2o4g h ILE 207 Cb 0.34 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2o4g h ILE 207 CO -0.24 0.48 0.00 0.00 0.00 0.00 0.00 178.15 178.40 2o4g n GLN 209 N -2.07 0.04 0.14 0.00 6.02 -0.42 -3.79 117.38 117.31 2o4g n GLN 209 Ca 0.03 0.03 -0.14 0.00 -0.01 0.00 0.00 57.00 56.91 2o4g n GLN 209 Cb 0.24 -1.54 -0.07 0.00 1.02 0.00 0.00 30.24 29.89 2o4g n GLN 209 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 2o4g h TRP 210 N 0.00 -0.28 -2.51 1.08 7.01 -1.50 -3.37 115.95 116.38 2o4g h TRP 210 Ca 0.00 -0.01 -0.60 0.00 2.11 0.00 0.00 58.89 60.40 2o4g h TRP 210 Cb 0.53 0.10 -0.40 0.00 -2.10 0.00 0.00 29.16 27.29 2o4g h TRP 210 CO 0.00 -0.17 -0.83 1.63 -2.79 0.00 0.00 178.44 176.28 2o4g n LYS 211 N -5.22 1.04 0.03 2.65 4.76 -1.26 -4.42 118.16 115.73 2o4g n LYS 211 Ca -0.09 -3.76 -0.13 0.00 -2.87 0.00 0.00 58.31 51.47 2o4g n LYS 211 Cb 0.14 -1.86 -0.08 0.00 -1.84 0.00 0.00 35.03 31.39 2o4g n LYS 211 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 2o4g h PRO 212 N 5.14 -0.03 -0.37 1.97 0.11 -1.72 -1.87 132.00 135.22 2o4g h PRO 212 Ca 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 2o4g h PRO 212 Cb 0.83 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 2o4g h PRO 212 CO 0.54 0.20 0.23 0.37 -0.21 0.00 0.00 178.00 179.13 2o4g h GLN 213 N -0.26 0.51 -0.51 1.05 4.15 -1.91 -1.46 115.11 116.68 2o4g h GLN 213 Ca -0.00 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 2o4g h GLN 213 Cb 0.24 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 2o4g h GLN 213 CO 0.01 0.38 0.17 0.00 -1.93 0.00 0.00 178.83 177.45 2o4g h ALA 214 N 1.10 1.35 -0.69 3.38 0.00 -1.99 -2.39 119.26 120.02 2o4g h ALA 214 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2o4g h ALA 214 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2o4g h ALA 214 CO -0.03 0.48 0.40 1.25 0.00 0.00 0.00 179.25 181.35 2o4g h LEU 215 N 0.73 0.84 -0.17 0.00 7.12 -0.43 -2.17 115.31 121.23 2o4g h LEU 215 Ca 0.17 -0.08 -0.06 0.00 0.13 0.00 0.00 57.88 58.04 2o4g h LEU 215 Cb 0.20 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 40.11 2o4g h LEU 215 CO -0.01 0.67 -0.14 -0.07 -0.13 0.00 0.00 178.44 178.77 2o4g h LEU 216 N 0.94 0.41 -0.90 2.25 3.38 -1.18 -0.69 115.31 119.52 2o4g h LEU 216 Ca 0.25 -0.46 0.16 0.00 0.09 0.00 0.00 57.88 57.91 2o4g h LEU 216 Cb -0.00 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.54 2o4g h LEU 216 CO -0.04 0.78 0.50 -0.61 0.09 0.00 0.00 178.44 179.16 2o4g h GLN 217 N 0.04 0.67 -0.35 1.13 4.15 -1.40 0.18 115.11 119.53 2o4g h GLN 217 Ca 0.03 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.25 2o4g h GLN 217 Cb 0.66 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 2o4g h GLN 217 CO 0.04 0.44 -0.43 2.35 -1.93 0.00 0.00 178.83 179.30 2o4g h TRP 218 N 0.69 1.10 -0.50 3.99 7.01 -1.25 -2.99 115.95 124.00 2o4g h TRP 218 Ca 0.50 -0.35 -0.05 0.00 2.11 0.00 0.00 58.89 61.10 2o4g h TRP 218 Cb 0.71 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.52 2o4g h TRP 218 CO -0.06 1.18 0.14 0.28 -2.79 0.00 0.00 178.44 177.18 2o4g h VAL 219 N 0.72 1.24 -0.27 2.65 2.07 -0.02 -1.05 116.25 121.59 2o4g h VAL 219 Ca 0.05 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2o4g h VAL 219 Cb 1.03 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2o4g h VAL 219 CO 0.10 0.30 -0.01 0.44 0.02 0.00 0.00 177.57 178.41 2o4g h ASP 220 N 0.69 0.38 0.09 0.57 3.32 -0.73 0.18 116.42 120.91 2o4g h ASP 220 Ca 0.16 -0.06 -0.28 0.00 0.02 0.00 0.00 57.03 56.86 2o4g h ASP 220 Cb 0.31 -0.10 0.03 0.00 0.22 0.00 0.00 39.33 39.78 2o4g h ASP 220 CO -0.00 0.45 -1.16 -0.33 -1.72 0.00 0.00 179.24 176.49 2o4g h GLU 221 N 0.40 0.65 0.00 3.56 5.08 -1.33 -3.40 114.58 119.54 2o4g h GLU 221 Ca 0.09 -0.79 0.00 0.00 -1.00 0.00 0.00 59.36 57.66 2o4g h GLU 221 Cb 0.29 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2o4g h GLU 221 CO 0.01 1.35 -1.08 0.72 -1.00 0.00 0.00 179.01 179.01 2o4g n HIS 222 N -3.81 0.00 -1.49 4.33 8.25 -0.42 -5.02 115.22 117.06 2o4g n HIS 222 Ca -0.12 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.93 2o4g n HIS 222 Cb 0.94 -0.15 0.01 0.00 1.12 0.00 0.00 29.99 31.92 2o4g n HIS 222 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2o4g n ALA 223 N -1.62 -1.12 -2.49 -1.41 0.00 0.03 -4.98 120.51 108.93 2o4g n ALA 223 Ca -0.00 0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.40 2o4g n ALA 223 Cb 0.24 -1.84 -0.11 0.00 0.00 0.00 0.00 19.45 17.74 2o4g n ALA 223 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2o4g s ARG 224 N -1.74 1.06 0.29 0.00 1.70 -0.93 -4.92 118.95 114.41 2o4g s ARG 224 Ca 0.64 -1.26 -0.30 0.00 -0.47 0.00 0.00 55.73 54.34 2o4g s ARG 224 Cb -0.57 -0.97 -0.11 0.00 -0.57 0.00 0.00 34.95 32.72 2o4g s ARG 224 CO 0.57 0.19 1.58 -2.14 -1.08 0.00 0.00 175.30 174.42 2o4g s PRO 225 N -2.68 4.13 0.57 3.89 0.02 -1.26 -0.54 135.00 139.13 2o4g s PRO 225 Ca 0.10 2.55 0.30 0.00 0.02 0.00 0.00 61.00 63.97 2o4g s PRO 225 Cb -0.05 -3.03 1.71 0.00 0.02 0.00 0.00 34.50 33.15 2o4g s PRO 225 CO 0.04 -0.61 2.18 0.35 -0.33 0.00 0.00 177.00 178.63 2o4g h PHE 226 N 4.84 0.00 0.00 6.54 3.57 -1.48 -2.49 116.94 127.91 2o4g h PHE 226 Ca -0.47 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 2o4g h PHE 226 Cb 1.22 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 2o4g h PHE 226 CO 0.59 0.05 -0.05 0.66 -2.23 0.00 0.00 178.31 177.32 2o4g h SER 227 N 0.00 0.00 0.79 0.41 4.64 -1.80 -1.42 113.55 116.16 2o4g h SER 227 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2o4g h SER 227 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2o4g h SER 227 CO 0.01 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.37 2o4g n THR 228 N -3.42 0.03 -2.32 2.95 -2.24 -0.94 -4.83 114.28 103.52 2o4g n THR 228 Ca -0.02 0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 2o4g n THR 228 Cb 0.19 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 67.87 2o4g n THR 228 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2o4g s VAL 229 N -2.80 4.10 0.17 2.28 1.01 -0.54 -5.00 120.40 119.63 2o4g s VAL 229 Ca 0.20 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 2o4g s VAL 229 Cb 0.19 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.63 2o4g s VAL 229 CO 0.49 -0.12 1.12 -0.54 0.00 0.00 0.00 175.10 176.05 2o4g s LYS 230 N 3.60 4.57 0.58 2.72 1.02 -1.26 -4.95 119.74 126.01 2o4g s LYS 230 Ca 0.59 1.74 -0.21 0.00 0.02 0.00 0.00 55.97 58.12 2o4g s LYS 230 Cb -0.25 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 2o4g s LYS 230 CO 0.18 0.03 1.34 -1.25 -0.92 0.00 0.00 175.35 174.74 2o4g s PRO 231 N -0.27 2.95 0.10 -1.68 0.04 -1.26 -4.32 135.00 130.57 2o4g s PRO 231 Ca 0.50 2.20 -0.26 0.00 0.04 0.00 0.00 61.00 63.48 2o4g s PRO 231 Cb -0.30 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.01 2o4g s PRO 231 CO 0.35 -1.33 1.67 1.98 0.04 0.00 0.00 177.00 179.71 2o4g h MET 232 N 1.18 -0.36 -4.49 4.56 1.85 -1.72 -3.46 114.93 112.48 2o4g h MET 232 Ca -0.51 0.02 -0.26 0.00 -0.61 0.00 0.00 59.70 58.34 2o4g h MET 232 Cb 1.31 0.08 -0.13 0.00 0.43 0.00 0.00 31.60 33.29 2o4g h MET 232 CO 0.56 -0.24 -0.50 1.52 -0.40 0.00 0.00 176.91 177.85 2o4g s TYR 233 N -6.11 1.16 0.00 1.39 1.13 -1.26 -5.05 117.35 108.60 2o4g s TYR 233 Ca -0.15 -1.34 0.00 0.00 -1.41 0.00 0.00 57.07 54.17 2o4g s TYR 233 Cb 0.07 -0.45 0.00 0.00 -1.10 0.00 0.00 41.96 40.48 2o4g s TYR 233 CO 0.65 -0.77 0.25 0.41 -2.51 0.00 0.00 175.55 173.59