#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm n SER 5 N 0.00 0.39 0.18 1.61 7.64 -1.26 -4.40 113.62 117.79 3bdm n SER 5 Ca 0.00 -0.21 0.12 0.00 1.01 0.00 0.00 58.87 59.79 3bdm n SER 5 Cb 0.00 1.43 0.35 0.00 -1.01 0.00 0.00 64.21 64.98 3bdm n SER 5 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3bdm h ARG 6 N 0.00 0.00 -0.88 1.43 2.43 -2.10 -0.66 114.38 114.60 3bdm h ARG 6 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3bdm h ARG 6 Cb 0.85 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.36 3bdm h ARG 6 CO 0.00 0.00 0.48 -0.09 -1.51 0.00 0.00 179.97 178.85 3bdm h ARG 7 N 0.00 1.24 -0.61 0.20 2.43 -2.09 -3.12 114.38 112.43 3bdm h ARG 7 Ca 0.13 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3bdm h ARG 7 Cb 1.84 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 3bdm h ARG 7 CO -0.00 0.91 0.00 0.66 -1.51 0.00 0.00 179.97 180.03 3bdm n TYR 8 N -4.33 0.81 -2.49 2.20 4.02 -0.25 -4.95 117.16 112.17 3bdm n TYR 8 Ca 0.09 -0.43 -0.43 0.00 -0.01 0.00 0.00 57.90 57.12 3bdm n TYR 8 Cb 0.10 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.40 3bdm n TYR 8 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3bdm s ASP 9 N -1.12 6.53 0.32 7.72 3.68 -1.18 -4.91 116.67 127.72 3bdm s ASP 9 Ca 0.44 0.68 0.26 0.00 2.13 0.00 0.00 52.55 56.07 3bdm s ASP 9 Cb 0.24 -2.55 1.03 0.00 -1.45 0.00 0.00 42.92 40.19 3bdm s ASP 9 CO 0.31 -1.30 1.78 0.28 0.13 0.00 0.00 175.17 176.37 3bdm h SER 10 N 9.76 0.00 -5.81 -0.34 0.02 -1.92 -3.47 113.55 111.79 3bdm h SER 10 Ca -0.25 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.36 3bdm h SER 10 Cb 1.08 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.76 3bdm h SER 10 CO 1.10 0.00 -0.88 0.54 -1.14 0.00 0.00 176.83 176.46 3bdm n ARG 11 N -2.46 -2.62 0.00 3.45 1.74 -1.26 -4.82 116.66 110.69 3bdm n ARG 11 Ca 0.02 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 3bdm n ARG 11 Cb 0.28 -5.19 0.00 0.00 -1.02 0.00 0.00 32.46 26.52 3bdm n ARG 11 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3bdm n THR 12 N -3.75 1.11 -2.62 0.55 -2.24 -1.26 -3.38 114.28 102.68 3bdm n THR 12 Ca -0.13 0.29 -0.25 0.00 -2.27 0.00 0.00 64.05 61.70 3bdm n THR 12 Cb 0.62 -1.29 -0.01 0.00 -2.10 0.00 0.00 70.33 67.55 3bdm n THR 12 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3bdm n THR 13 N -1.27 2.29 -4.37 4.28 -2.24 -1.26 -4.58 114.28 107.14 3bdm n THR 13 Ca 0.00 -4.87 -0.19 0.00 -2.27 0.00 0.00 64.05 56.72 3bdm n THR 13 Cb 0.02 -1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 67.08 3bdm n THR 13 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3bdm s ILE 14 N -4.95 1.20 0.25 2.28 -0.00 -1.22 -4.91 121.20 113.86 3bdm s ILE 14 Ca 0.46 -2.05 -0.12 0.00 -0.00 0.00 0.00 60.65 58.93 3bdm s ILE 14 Cb 0.38 -2.41 -0.08 0.00 -0.00 0.00 0.00 42.46 40.35 3bdm s ILE 14 CO -0.15 -0.29 0.62 -0.36 -0.00 0.00 0.00 174.94 174.76 3bdm s PHE 15 N -3.31 3.43 0.60 1.37 0.08 -1.26 -4.16 117.98 114.74 3bdm s PHE 15 Ca 0.29 1.03 -0.06 0.00 0.12 0.00 0.00 56.93 58.31 3bdm s PHE 15 Cb 0.05 -2.38 0.01 0.00 -0.57 0.00 0.00 43.02 40.14 3bdm s PHE 15 CO 0.10 0.23 0.91 -1.54 -0.10 0.00 0.00 175.22 174.82 3bdm s SER 16 N -2.24 5.50 0.57 1.36 1.04 0.20 -4.86 113.70 115.27 3bdm s SER 16 Ca 0.49 0.68 0.37 0.00 0.48 0.00 0.00 55.95 57.96 3bdm s SER 16 Cb -0.11 -1.63 2.01 0.00 0.10 0.00 0.00 66.02 66.39 3bdm s SER 16 CO 0.20 -1.13 2.13 -0.65 0.98 0.00 0.00 173.24 174.77 3bdm h PRO 17 N -0.23 0.00 -0.41 4.02 0.11 -1.99 0.22 132.00 133.72 3bdm h PRO 17 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3bdm h PRO 17 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3bdm h PRO 17 CO 0.60 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 3bdm n GLU 18 N -2.83 2.00 -2.53 1.05 4.71 -1.26 -4.91 120.64 116.87 3bdm n GLU 18 Ca -0.02 -1.55 -0.09 0.00 -0.01 0.00 0.00 57.16 55.49 3bdm n GLU 18 Cb 0.09 -1.35 0.01 0.00 -1.01 0.00 0.00 31.44 29.18 3bdm n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3bdm n GLY 19 N 1.20 0.19 3.52 0.62 0.00 0.76 -5.04 105.19 106.44 3bdm n GLY 19 Ca 0.15 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 3bdm n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bdm s ARG 20 N -4.94 1.87 -0.61 1.61 0.52 -1.25 -4.80 118.95 111.34 3bdm s ARG 20 Ca 0.11 -1.59 -0.11 0.00 -0.52 0.00 0.00 55.73 53.61 3bdm s ARG 20 Cb -0.05 -1.92 0.16 0.00 0.52 0.00 0.00 34.95 33.65 3bdm s ARG 20 CO 0.14 0.36 0.52 -0.51 0.02 0.00 0.00 175.30 175.83 3bdm s LEU 21 N -3.39 6.07 0.02 2.53 1.43 -1.26 0.61 118.68 124.69 3bdm s LEU 21 Ca 0.29 -2.24 -0.03 0.00 -1.03 0.00 0.00 54.13 51.12 3bdm s LEU 21 Cb -0.06 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 3bdm s LEU 21 CO 0.16 -0.66 0.62 -1.22 0.23 0.00 0.00 176.35 175.48 3bdm n TYR 22 N 4.53 -0.04 -0.24 0.29 4.01 -1.26 -1.09 117.16 123.36 3bdm n TYR 22 Ca -0.01 0.13 0.04 0.00 -0.16 0.00 0.00 57.90 57.90 3bdm n TYR 22 Cb 0.42 -0.33 0.15 0.00 -0.31 0.00 0.00 39.34 39.27 3bdm n TYR 22 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3bdm h GLN 23 N 0.00 0.16 -0.09 -0.72 1.08 -1.90 0.21 115.11 113.85 3bdm h GLN 23 Ca 0.02 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3bdm h GLN 23 Cb 0.04 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 3bdm h GLN 23 CO -0.09 0.11 -0.02 0.28 -0.95 0.00 0.00 178.83 178.16 3bdm h VAL 24 N 0.17 0.92 0.10 -0.54 2.07 -1.45 0.31 116.25 117.83 3bdm h VAL 24 Ca 0.39 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.93 3bdm h VAL 24 Cb 0.67 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 3bdm h VAL 24 CO -0.57 0.00 -0.45 -0.33 0.02 0.00 0.00 177.57 176.24 3bdm h GLU 25 N 0.01 -0.65 -0.65 1.57 4.39 0.16 -0.03 114.58 119.37 3bdm h GLU 25 Ca 0.04 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.80 3bdm h GLU 25 Cb 0.06 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3bdm h GLU 25 CO -0.08 -0.43 0.43 1.88 -1.16 0.00 0.00 179.01 179.65 3bdm h TYR 26 N -0.67 0.81 -0.47 4.33 0.05 -0.41 -1.24 116.97 119.36 3bdm h TYR 26 Ca 0.02 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.75 3bdm h TYR 26 Cb 0.70 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 3bdm h TYR 26 CO -0.40 0.50 0.01 0.00 -1.05 0.00 0.00 178.16 177.22 3bdm h ALA 27 N 1.60 1.15 -0.60 3.88 0.00 0.32 -0.78 119.26 124.82 3bdm h ALA 27 Ca 0.24 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3bdm h ALA 27 Cb -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3bdm h ALA 27 CO -0.06 0.55 0.00 -0.07 0.00 0.00 0.00 179.25 179.68 3bdm h LEU 28 N 0.72 1.04 -1.73 0.00 3.38 0.03 -0.84 115.31 117.91 3bdm h LEU 28 Ca 0.14 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3bdm h LEU 28 Cb 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3bdm h LEU 28 CO 0.02 1.09 0.25 -0.08 0.09 0.00 0.00 178.44 179.80 3bdm h GLU 29 N 0.96 0.34 -0.04 1.13 4.57 -0.40 -0.28 114.58 120.86 3bdm h GLU 29 Ca 0.17 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 3bdm h GLU 29 Cb 0.56 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3bdm h GLU 29 CO 0.03 0.23 -0.04 1.03 -1.18 0.00 0.00 179.01 179.08 3bdm h SER 30 N 0.35 0.11 -0.51 1.04 0.87 -0.29 -3.11 113.55 112.01 3bdm h SER 30 Ca 0.15 -0.47 0.08 0.00 -1.23 0.00 0.00 61.79 60.32 3bdm h SER 30 Cb 0.17 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 3bdm h SER 30 CO -0.03 0.55 0.34 0.40 -0.53 0.00 0.00 176.83 177.56 3bdm h ILE 31 N -0.34 0.92 0.00 2.23 1.08 0.03 -1.94 117.51 119.48 3bdm h ILE 31 Ca 0.01 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3bdm h ILE 31 Cb 0.52 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 3bdm h ILE 31 CO 0.01 0.06 0.00 0.77 -0.69 0.00 0.00 178.15 178.31 3bdm h SER 32 N 0.34 0.00 -0.44 1.72 4.64 -1.02 0.57 113.55 119.36 3bdm h SER 32 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3bdm h SER 32 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3bdm h SER 32 CO -0.05 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.32 3bdm n HIS 33 N -2.82 0.57 -3.14 4.77 8.25 -0.73 -3.27 115.22 118.85 3bdm n HIS 33 Ca -0.03 -0.32 -0.32 0.00 -0.26 0.00 0.00 57.72 56.79 3bdm n HIS 33 Cb 0.06 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.11 3bdm n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bdm s ALA 34 N -1.29 3.35 0.45 -1.41 0.00 0.19 -4.85 121.76 118.21 3bdm s ALA 34 Ca 0.38 -0.02 -0.21 0.00 0.00 0.00 0.00 51.96 52.11 3bdm s ALA 34 Cb 0.21 -2.73 -0.13 0.00 0.00 0.00 0.00 23.12 20.48 3bdm s ALA 34 CO 0.29 0.32 0.36 0.41 0.00 0.00 0.00 175.76 177.14 3bdm n GLY 35 N -0.44 -1.97 3.78 0.00 0.00 -1.26 -0.72 105.19 104.59 3bdm n GLY 35 Ca 0.03 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3bdm n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bdm s THR 36 N -1.62 4.18 -0.02 2.61 2.01 -1.26 -4.17 115.64 117.38 3bdm s THR 36 Ca 0.63 1.81 0.01 0.00 0.31 0.00 0.00 61.69 64.45 3bdm s THR 36 Cb -0.57 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 67.95 3bdm s THR 36 CO 0.59 0.15 -0.01 0.00 -0.69 0.00 0.00 174.62 174.66 3bdm s ALA 37 N -1.60 0.30 0.06 7.40 0.00 0.06 -0.27 121.76 127.71 3bdm s ALA 37 Ca 0.50 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.61 3bdm s ALA 37 Cb -0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 3bdm s ALA 37 CO 0.24 -0.03 -0.21 0.42 0.00 0.00 0.00 175.76 176.19 3bdm s ILE 38 N 0.67 1.67 -0.12 0.00 1.09 0.13 -0.01 121.20 124.63 3bdm s ILE 38 Ca -0.07 -1.28 -0.00 0.00 -1.10 0.00 0.00 60.65 58.20 3bdm s ILE 38 Cb -0.10 -1.47 0.03 0.00 -1.06 0.00 0.00 42.46 39.86 3bdm s ILE 38 CO -0.01 0.14 -0.08 -0.83 -0.10 0.00 0.00 174.94 174.06 3bdm s GLY 39 N -1.35 0.86 -0.12 6.18 0.00 0.20 -1.39 107.32 111.70 3bdm s GLY 39 Ca 0.07 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.21 3bdm s GLY 39 CO 0.02 0.81 -0.21 -0.42 0.00 0.00 0.00 173.10 173.30 3bdm s ILE 40 N 1.69 1.93 -0.35 0.90 1.01 -0.39 -0.60 121.20 125.38 3bdm s ILE 40 Ca 0.04 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 3bdm s ILE 40 Cb -0.13 -1.71 0.03 0.00 0.01 0.00 0.00 42.46 40.66 3bdm s ILE 40 CO -0.08 0.53 0.16 -0.32 0.00 0.00 0.00 174.94 175.22 3bdm s MET 41 N 0.74 2.79 0.58 2.79 1.75 0.11 -0.02 119.30 128.04 3bdm s MET 41 Ca -0.10 -1.09 -0.03 0.00 -1.25 0.00 0.00 55.69 53.22 3bdm s MET 41 Cb -0.16 -3.61 0.12 0.00 2.84 0.00 0.00 34.83 34.03 3bdm s MET 41 CO 0.01 -0.66 0.79 0.00 -0.65 0.00 0.00 175.02 174.51 3bdm n ALA 42 N 4.92 -0.18 0.09 4.11 0.00 -0.04 -4.86 120.51 124.55 3bdm n ALA 42 Ca -0.12 -1.38 -0.07 0.00 0.00 0.00 0.00 53.44 51.86 3bdm n ALA 42 Cb 0.46 0.16 0.04 0.00 0.00 0.00 0.00 19.45 20.11 3bdm n ALA 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3bdm h SER 43 N -0.65 0.25 -0.24 0.00 4.64 -1.67 -3.30 113.55 112.58 3bdm h SER 43 Ca -0.26 -0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 3bdm h SER 43 Cb 0.88 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.85 3bdm h SER 43 CO 0.25 0.92 -0.08 -0.90 -0.87 0.00 0.00 176.83 176.15 3bdm n ASP 44 N -3.74 2.81 0.00 4.97 3.85 -1.26 -5.01 116.55 118.17 3bdm n ASP 44 Ca -0.03 -3.46 0.00 0.00 -0.71 0.00 0.00 54.79 50.59 3bdm n ASP 44 Cb 0.73 -0.57 0.00 0.00 -1.35 0.00 0.00 41.12 39.93 3bdm n ASP 44 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bdm n GLY 45 N -0.99 -2.15 3.06 6.12 0.00 -1.25 -4.01 105.19 105.98 3bdm n GLY 45 Ca 0.26 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 3bdm n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdm s ILE 46 N -2.34 0.54 -0.03 -0.61 1.01 -0.76 -0.86 121.20 118.15 3bdm s ILE 46 Ca 0.00 -1.05 0.05 0.00 0.00 0.00 0.00 60.65 59.65 3bdm s ILE 46 Cb 0.00 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 3bdm s ILE 46 CO 0.00 -0.36 -0.18 -0.69 0.00 0.00 0.00 174.94 173.71 3bdm s VAL 47 N -1.32 1.45 -0.06 2.92 1.01 0.97 -1.22 120.40 124.15 3bdm s VAL 47 Ca -0.09 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3bdm s VAL 47 Cb -0.10 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.06 3bdm s VAL 47 CO 0.00 0.41 -0.16 -0.76 0.00 0.00 0.00 175.10 174.60 3bdm s LEU 48 N -0.21 1.83 -0.03 3.92 1.43 0.73 -1.26 118.68 125.08 3bdm s LEU 48 Ca 0.02 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 3bdm s LEU 48 Cb -0.09 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 45.15 3bdm s LEU 48 CO 0.01 0.10 0.12 0.00 0.23 0.00 0.00 176.35 176.81 3bdm s ALA 49 N 0.37 -0.30 0.04 4.21 0.00 -0.49 -0.81 121.76 124.79 3bdm s ALA 49 Ca -0.11 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 51.95 3bdm s ALA 49 Cb -0.15 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.86 3bdm s ALA 49 CO 0.04 -0.10 0.21 0.00 0.00 0.00 0.00 175.76 175.91 3bdm s ALA 50 N -0.33 -0.39 -0.23 0.00 0.00 -0.83 0.19 121.76 120.18 3bdm s ALA 50 Ca -0.04 -0.27 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 3bdm s ALA 50 Cb -0.03 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 3bdm s ALA 50 CO 0.00 -0.38 0.14 -2.00 0.00 0.00 0.00 175.76 173.52 3bdm s GLU 51 N -2.68 4.04 -0.25 0.00 2.12 0.63 -2.04 118.70 120.51 3bdm s GLU 51 Ca -0.04 -0.29 -0.29 0.00 0.36 0.00 0.00 54.97 54.71 3bdm s GLU 51 Cb -0.00 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 3bdm s GLU 51 CO -0.04 0.09 1.51 1.03 -0.54 0.00 0.00 175.26 177.30 3bdm s ARG 52 N 0.96 3.82 0.05 4.30 0.52 0.11 -4.19 118.95 124.52 3bdm s ARG 52 Ca 0.07 1.50 -0.30 0.00 -0.52 0.00 0.00 55.73 56.48 3bdm s ARG 52 Cb -0.13 -3.99 -0.05 0.00 0.52 0.00 0.00 34.95 31.30 3bdm s ARG 52 CO 0.04 -1.25 1.13 0.21 0.02 0.00 0.00 175.30 175.44 3bdm s LYS 53 N 4.53 4.48 0.17 3.54 2.20 -1.26 -4.64 119.74 128.76 3bdm s LYS 53 Ca 0.66 1.66 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 3bdm s LYS 53 Cb -0.22 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3bdm s LYS 53 CO 0.27 -0.17 0.00 0.28 -0.36 0.00 0.00 175.35 175.37 3bdm n VAL 54 N 3.81-11.44 -4.15 4.02 0.31 -1.26 -5.05 118.33 104.57 3bdm n VAL 54 Ca 0.08 2.90 -0.11 0.00 -0.01 0.00 0.00 64.34 67.20 3bdm n VAL 54 Cb 0.48 -4.75 -0.10 0.00 -0.91 0.00 0.00 33.84 28.56 3bdm n VAL 54 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3bdm s THR 55 N -0.44 0.05 0.20 2.52 -4.23 -1.26 -5.15 115.64 107.33 3bdm s THR 55 Ca 0.00 -1.89 -0.07 0.00 -1.18 0.00 0.00 61.69 58.55 3bdm s THR 55 Cb 0.00 -2.23 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 3bdm s THR 55 CO 0.00 -0.23 0.27 -0.55 -0.54 0.00 0.00 174.62 173.57 3bdm s SER 56 N -3.09 0.06 0.25 3.99 0.15 -1.26 -5.00 113.70 108.79 3bdm s SER 56 Ca 0.30 -1.10 0.01 0.00 0.70 0.00 0.00 55.95 55.86 3bdm s SER 56 Cb 0.07 0.45 0.31 0.00 -1.71 0.00 0.00 66.02 65.14 3bdm s SER 56 CO 0.06 -0.94 1.65 0.74 1.20 0.00 0.00 173.24 175.96 3bdm h THR 57 N 2.50 1.29 0.00 6.45 2.02 -2.03 -3.01 112.91 120.13 3bdm h THR 57 Ca -0.32 -1.44 -0.05 0.00 0.77 0.00 0.00 66.41 65.37 3bdm h THR 57 Cb 1.24 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 3bdm h THR 57 CO 0.47 0.45 -0.24 -0.07 0.37 0.00 0.00 175.52 176.50 3bdm h LEU 58 N 0.44 0.00 -9.44 2.58 4.07 -2.06 -3.46 115.31 107.44 3bdm h LEU 58 Ca 0.05 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.44 3bdm h LEU 58 Cb 0.80 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.58 3bdm h LEU 58 CO 0.06 0.24 1.02 -0.11 -1.08 0.00 0.00 178.44 178.58 3bdm n LEU 59 N -3.19 3.62 -4.59 1.67 7.94 -1.14 -4.89 117.00 116.42 3bdm n LEU 59 Ca 0.03 1.01 -0.42 0.00 -1.11 0.00 0.00 56.01 55.51 3bdm n LEU 59 Cb 0.60 -1.46 -0.02 0.00 0.53 0.00 0.00 43.42 43.06 3bdm n LEU 59 CO 0.36 -0.02 1.22 -0.70 -1.11 0.00 0.00 177.39 177.14 3bdm s GLU 60 N 2.64 3.48 0.07 1.96 2.56 -1.26 -4.88 118.70 123.27 3bdm s GLU 60 Ca 0.84 0.68 0.12 0.00 0.00 0.00 0.00 54.97 56.61 3bdm s GLU 60 Cb -0.59 -4.05 -0.17 0.00 2.00 0.00 0.00 34.13 31.31 3bdm s GLU 60 CO 0.42 -1.70 0.99 0.37 -0.56 0.00 0.00 175.26 174.78 3bdm h GLN 61 N 10.65 0.00 -0.07 4.30 4.15 -1.95 -3.18 115.11 129.01 3bdm h GLN 61 Ca -0.27 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.11 3bdm h GLN 61 Cb 1.09 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 3bdm h GLN 61 CO 1.13 0.63 -0.14 -0.44 -1.93 0.00 0.00 178.83 178.08 3bdm h ASP 62 N 0.00 0.10 0.24 -0.69 5.19 -2.01 -2.41 116.42 116.84 3bdm h ASP 62 Ca -0.14 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 3bdm h ASP 62 Cb 1.79 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 41.27 3bdm h ASP 62 CO 0.09 0.26 -0.71 0.41 -3.12 0.00 0.00 179.24 176.16 3bdm n THR 63 N -4.32 0.00 -2.49 0.35 -1.04 -1.25 -4.98 114.28 100.55 3bdm n THR 63 Ca -0.02 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.67 3bdm n THR 63 Cb 0.24 0.63 -0.02 0.00 -1.82 0.00 0.00 70.33 69.36 3bdm n THR 63 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3bdm s SER 63 N -2.96 6.51 -0.30 8.00 0.15 -0.91 -5.06 113.70 119.14 3bdm s SER 63 Ca 0.11 1.36 -0.07 0.00 0.70 0.00 0.00 55.95 58.04 3bdm s SER 63 Cb 0.17 -2.42 0.19 0.00 -1.71 0.00 0.00 66.02 62.24 3bdm s SER 63 CO 0.76 -0.56 0.92 -0.89 1.20 0.00 0.00 173.24 174.66 3bdm s THR 64 N -2.63 -0.49 0.00 6.45 2.01 -1.26 -5.02 115.64 114.71 3bdm s THR 64 Ca 0.55 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.55 3bdm s THR 64 Cb -0.10 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.74 3bdm s THR 64 CO 0.35 0.00 0.66 -1.84 -0.69 0.00 0.00 174.62 173.10 3bdm n GLU 65 N 5.30 0.68 0.00 4.92 0.28 -1.26 -4.86 120.64 125.70 3bdm n GLU 65 Ca 0.03 -0.85 0.00 0.00 -0.16 0.00 0.00 57.16 56.18 3bdm n GLU 65 Cb 0.55 -0.93 0.00 0.00 1.43 0.00 0.00 31.44 32.49 3bdm n GLU 65 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3bdm n LYS 66 N -0.19 0.89 -3.78 3.44 5.02 -1.26 -4.83 118.16 117.45 3bdm n LYS 66 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 3bdm n LYS 66 Cb 0.15 -0.36 -0.13 0.00 -0.02 0.00 0.00 35.03 34.67 3bdm n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3bdm s LEU 67 N -0.79 3.97 -0.04 -0.35 1.02 -1.26 0.52 118.68 121.75 3bdm s LEU 67 Ca 0.00 -0.89 0.07 0.00 0.02 0.00 0.00 54.13 53.32 3bdm s LEU 67 Cb 0.00 -1.86 -0.01 0.00 0.02 0.00 0.00 46.19 44.34 3bdm s LEU 67 CO 0.00 -0.24 -0.24 -0.31 0.02 0.00 0.00 176.35 175.59 3bdm s TYR 68 N 1.44 2.21 -0.21 0.29 2.02 -0.26 -4.99 117.35 117.85 3bdm s TYR 68 Ca 0.01 -0.53 -0.22 0.00 -0.37 0.00 0.00 57.07 55.95 3bdm s TYR 68 Cb -0.18 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.92 3bdm s TYR 68 CO 0.02 -0.12 0.68 0.21 -1.57 0.00 0.00 175.55 174.77 3bdm s LYS 69 N -0.35 4.19 -0.21 -0.62 2.20 -1.26 -1.08 119.74 122.61 3bdm s LYS 69 Ca 0.03 0.70 -0.05 0.00 -0.36 0.00 0.00 55.97 56.29 3bdm s LYS 69 Cb -0.11 -3.61 -0.20 0.00 -1.51 0.00 0.00 37.83 32.40 3bdm s LYS 69 CO 0.01 -0.34 0.01 1.28 -0.36 0.00 0.00 175.35 175.95 3bdm n LEU 70 N 5.38 2.65 0.00 5.43 4.77 -0.90 -4.99 117.00 129.33 3bdm n LEU 70 Ca 0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3bdm n LEU 70 Cb 0.49 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3bdm n LEU 70 CO 0.45 0.81 0.00 -3.20 -1.33 0.00 0.00 177.39 174.12 3bdm n ASN 71 N -3.55 0.41 0.04 -1.43 4.05 -0.94 -4.59 115.26 109.25 3bdm n ASN 71 Ca -0.41 -0.12 0.08 0.00 0.45 0.00 0.00 54.58 54.59 3bdm n ASN 71 Cb 0.97 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 41.91 3bdm n ASN 71 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3bdm n ASP 72 N -0.31 0.52 -0.04 1.20 8.00 -1.26 -4.25 116.55 120.42 3bdm n ASP 72 Ca 0.00 0.21 0.03 0.00 0.71 0.00 0.00 54.79 55.74 3bdm n ASP 72 Cb 0.00 0.95 0.04 0.00 -0.02 0.00 0.00 41.12 42.10 3bdm n ASP 72 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3bdm n LYS 73 N -2.57 2.20 -3.85 -1.24 5.02 -1.26 -4.38 118.16 112.07 3bdm n LYS 73 Ca -0.05 -1.78 -0.13 0.00 -2.02 0.00 0.00 58.31 54.34 3bdm n LYS 73 Cb 0.63 -1.12 -0.14 0.00 -0.02 0.00 0.00 35.03 34.38 3bdm n LYS 73 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bdm s ILE 74 N -1.52 -0.01 0.12 -0.18 1.01 -1.26 -0.41 121.20 118.94 3bdm s ILE 74 Ca 0.10 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 3bdm s ILE 74 Cb 0.09 -0.03 -0.03 0.00 0.01 0.00 0.00 42.46 42.51 3bdm s ILE 74 CO 0.01 0.02 0.10 0.00 0.00 0.00 0.00 174.94 175.07 3bdm s ALA 75 N 0.24 0.48 0.03 9.38 0.00 -0.74 -2.12 121.76 129.02 3bdm s ALA 75 Ca -0.02 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.76 3bdm s ALA 75 Cb -0.03 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 3bdm s ALA 75 CO -0.01 -0.50 -0.05 0.14 0.00 0.00 0.00 175.76 175.34 3bdm s VAL 76 N -3.98 0.33 -0.10 0.00 -7.23 -0.24 -0.48 120.40 108.70 3bdm s VAL 76 Ca 0.17 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 3bdm s VAL 76 Cb 0.06 -0.42 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 3bdm s VAL 76 CO -0.03 -0.38 -0.09 0.00 -0.31 0.00 0.00 175.10 174.29 3bdm s ALA 77 N -1.27 2.86 0.07 1.32 0.00 -0.57 -1.11 121.76 123.05 3bdm s ALA 77 Ca -0.11 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.00 3bdm s ALA 77 Cb -0.09 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 3bdm s ALA 77 CO -0.00 0.42 -0.03 0.08 0.00 0.00 0.00 175.76 176.23 3bdm s VAL 78 N -0.30 3.83 -0.20 0.00 1.01 0.19 -1.99 120.40 122.93 3bdm s VAL 78 Ca 0.04 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 3bdm s VAL 78 Cb -0.13 -2.77 0.09 0.00 0.00 0.00 0.00 36.38 33.58 3bdm s VAL 78 CO 0.03 0.20 0.23 0.00 0.00 0.00 0.00 175.10 175.56 3bdm s ALA 79 N -1.20 -0.31 0.00 5.51 0.00 -0.94 -4.79 121.76 120.02 3bdm s ALA 79 Ca 0.22 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.49 3bdm s ALA 79 Cb -0.11 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.68 3bdm s ALA 79 CO 0.14 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.12 3bdm n GLY 80 N 5.32 0.53 3.60 0.00 0.00 -1.26 -1.52 105.19 111.86 3bdm n GLY 80 Ca -0.05 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 3bdm n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdm s LEU 81 N 0.00 3.61 0.23 0.99 2.01 0.10 -4.91 118.68 120.72 3bdm s LEU 81 Ca 0.00 0.78 -0.06 0.00 0.01 0.00 0.00 54.13 54.85 3bdm s LEU 81 Cb 0.00 -3.54 0.41 0.00 0.01 0.00 0.00 46.19 43.07 3bdm s LEU 81 CO 0.00 -1.38 1.70 0.74 1.01 0.00 0.00 176.35 178.42 3bdm h THR 82 N 6.39 0.58 -0.24 5.49 2.02 -1.91 0.61 112.91 125.85 3bdm h THR 82 Ca -0.26 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 66.84 3bdm h THR 82 Cb 1.10 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3bdm h THR 82 CO 1.09 0.05 0.08 0.00 0.37 0.00 0.00 175.52 177.11 3bdm h ALA 83 N 1.56 0.27 -0.65 6.16 0.00 -1.99 -1.00 119.26 123.61 3bdm h ALA 83 Ca 0.38 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3bdm h ALA 83 Cb 0.62 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3bdm h ALA 83 CO -0.46 -0.34 0.36 -0.44 0.00 0.00 0.00 179.25 178.38 3bdm h ASP 84 N 0.19 0.80 -0.49 0.00 3.45 -1.62 -2.84 116.42 115.91 3bdm h ASP 84 Ca 0.11 -0.09 0.09 0.00 0.43 0.00 0.00 57.03 57.57 3bdm h ASP 84 Cb 0.08 -0.20 -0.07 0.00 -0.56 0.00 0.00 39.33 38.57 3bdm h ASP 84 CO -0.11 0.66 0.07 0.00 -1.57 0.00 0.00 179.24 178.29 3bdm h ALA 85 N 1.18 0.53 -0.52 3.45 0.00 -0.21 -2.55 119.26 121.14 3bdm h ALA 85 Ca 0.23 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.27 3bdm h ALA 85 Cb 0.03 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3bdm h ALA 85 CO -0.04 -0.34 0.33 0.93 0.00 0.00 0.00 179.25 180.13 3bdm h GLU 86 N 0.20 0.64 -0.63 0.00 5.08 -0.97 0.43 114.58 119.33 3bdm h GLU 86 Ca 0.25 -0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.68 3bdm h GLU 86 Cb 0.35 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 3bdm h GLU 86 CO -0.35 0.42 0.17 0.82 -1.00 0.00 0.00 179.01 179.08 3bdm h ILE 87 N 0.66 0.67 -0.31 3.13 5.03 -1.35 0.10 117.51 125.44 3bdm h ILE 87 Ca 0.20 -0.11 -0.17 0.00 -0.12 0.00 0.00 64.86 64.67 3bdm h ILE 87 Cb -0.02 0.32 -0.00 0.00 -3.03 0.00 0.00 36.82 34.09 3bdm h ILE 87 CO -0.07 0.06 -0.46 -0.07 -0.68 0.00 0.00 178.15 176.93 3bdm h LEU 88 N 0.32 0.94 -0.56 1.44 3.38 -1.18 -2.94 115.31 116.70 3bdm h LEU 88 Ca 0.33 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3bdm h LEU 88 Cb 0.48 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3bdm h LEU 88 CO -0.38 1.27 0.35 0.40 0.09 0.00 0.00 178.44 180.16 3bdm h ILE 89 N 0.64 1.08 -0.59 1.22 2.04 0.70 -1.64 117.51 120.97 3bdm h ILE 89 Ca 0.03 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 3bdm h ILE 89 Cb 1.06 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3bdm h ILE 89 CO 0.11 0.13 0.07 -1.13 0.00 0.00 0.00 178.15 177.33 3bdm h ASN 90 N 0.70 0.95 0.39 1.72 -1.24 -0.84 -1.34 115.58 115.92 3bdm h ASN 90 Ca 0.22 -0.27 -0.04 0.00 0.71 0.00 0.00 56.30 56.92 3bdm h ASN 90 Cb -0.01 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.78 3bdm h ASN 90 CO -0.08 0.98 -0.19 0.71 -1.29 0.00 0.00 177.43 177.56 3bdm h THR 91 N 0.88 0.80 -0.04 -3.57 1.35 -1.29 -2.07 112.91 108.97 3bdm h THR 91 Ca 0.18 -0.77 -0.03 0.00 -0.55 0.00 0.00 66.41 65.24 3bdm h THR 91 Cb 0.45 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3bdm h THR 91 CO 0.02 0.19 -0.08 0.00 -0.25 0.00 0.00 175.52 175.39 3bdm h ALA 92 N 1.81 0.07 -0.80 6.62 0.00 -0.75 -0.78 119.26 125.42 3bdm h ALA 92 Ca -0.00 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 54.73 3bdm h ALA 92 Cb 0.44 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3bdm h ALA 92 CO 0.03 -0.08 0.53 0.00 0.00 0.00 0.00 179.25 179.72 3bdm h ARG 93 N -0.38 0.52 0.17 0.00 3.08 -0.82 0.39 114.38 117.34 3bdm h ARG 93 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3bdm h ARG 93 Cb 0.66 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3bdm h ARG 93 CO 0.02 0.34 -0.08 0.82 -1.07 0.00 0.00 179.97 180.00 3bdm h ILE 94 N 0.53 0.89 -1.03 2.04 2.04 -1.29 -2.79 117.51 117.90 3bdm h ILE 94 Ca 0.39 -1.04 0.26 0.00 1.00 0.00 0.00 64.86 65.47 3bdm h ILE 94 Cb 0.76 1.44 -0.11 0.00 -0.74 0.00 0.00 36.82 38.17 3bdm h ILE 94 CO -0.15 0.21 0.63 -0.74 0.00 0.00 0.00 178.15 178.10 3bdm h HIS 95 N -0.80 0.87 -0.07 1.37 2.76 -0.14 0.18 115.15 119.31 3bdm h HIS 95 Ca -0.02 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.19 3bdm h HIS 95 Cb 0.52 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 3bdm h HIS 95 CO 0.08 0.04 -0.01 0.00 -1.30 0.00 0.00 177.93 176.74 3bdm h ALA 96 N 1.69 0.05 -0.54 5.26 0.00 -0.92 -1.79 119.26 123.01 3bdm h ALA 96 Ca 0.64 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.50 3bdm h ALA 96 Cb 1.39 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 3bdm h ALA 96 CO -0.42 -0.49 0.07 1.96 0.00 0.00 0.00 179.25 180.38 3bdm h GLN 97 N 0.01 0.91 -0.42 0.00 1.08 -0.47 -2.76 115.11 113.47 3bdm h GLN 97 Ca 0.03 -0.26 0.02 0.00 -1.45 0.00 0.00 58.65 57.00 3bdm h GLN 97 Cb 0.05 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 3bdm h GLN 97 CO -0.07 0.89 0.25 -0.91 -0.95 0.00 0.00 178.83 178.05 3bdm h ASN 98 N 0.80 0.41 -0.69 1.46 2.35 -0.84 0.17 115.58 119.23 3bdm h ASN 98 Ca 0.16 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 56.02 3bdm h ASN 98 Cb 0.44 -0.08 -0.08 0.00 0.05 0.00 0.00 38.32 38.65 3bdm h ASN 98 CO 0.01 0.29 0.32 0.22 -1.65 0.00 0.00 177.43 176.62 3bdm h TYR 99 N 0.50 0.56 0.45 1.19 3.20 -1.22 -0.01 116.97 121.65 3bdm h TYR 99 Ca 0.16 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 3bdm h TYR 99 Cb 0.00 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.13 3bdm h TYR 99 CO -0.07 0.17 -0.22 1.25 -1.64 0.00 0.00 178.16 177.65 3bdm h LEU 100 N 0.53 -0.52 -0.85 2.82 5.85 -1.01 -0.58 115.31 121.55 3bdm h LEU 100 Ca 0.35 -0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.18 3bdm h LEU 100 Cb 0.42 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 3bdm h LEU 100 CO -0.30 -0.28 0.44 0.50 -0.34 0.00 0.00 178.44 178.46 3bdm h LYS 101 N -0.73 0.60 -0.00 1.25 3.64 -0.10 0.85 116.57 122.09 3bdm h LYS 101 Ca -0.06 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3bdm h LYS 101 Cb 0.53 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3bdm h LYS 101 CO 0.10 0.40 -0.00 1.15 -2.27 0.00 0.00 179.45 178.83 3bdm h THR 102 N 0.62 1.55 0.00 1.00 2.02 -0.87 -3.38 112.91 113.84 3bdm h THR 102 Ca 0.47 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 66.04 3bdm h THR 102 Cb 0.67 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 3bdm h THR 102 CO -0.37 0.42 -1.13 -1.22 0.37 0.00 0.00 175.52 173.59 3bdm n TYR 103 N -4.76 0.08 -2.91 3.16 4.01 -0.24 -4.99 117.16 111.51 3bdm n TYR 103 Ca -0.09 0.02 -0.19 0.00 -0.16 0.00 0.00 57.90 57.48 3bdm n TYR 103 Cb 0.34 -0.23 0.03 0.00 -0.31 0.00 0.00 39.34 39.17 3bdm n TYR 103 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3bdm n ASN 104 N -1.76 -5.53 -3.82 7.72 2.85 0.30 -5.00 115.26 110.02 3bdm n ASN 104 Ca 0.02 -0.25 -0.12 0.00 -0.11 0.00 0.00 54.58 54.13 3bdm n ASN 104 Cb 0.40 -4.36 -0.09 0.00 1.24 0.00 0.00 39.78 36.97 3bdm n ASN 104 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3bdm s GLU 105 N -5.53 0.59 0.32 1.20 2.02 -1.25 -5.07 118.70 110.98 3bdm s GLU 105 Ca 0.26 -0.35 -0.29 0.00 0.02 0.00 0.00 54.97 54.62 3bdm s GLU 105 Cb -0.11 0.25 -0.10 0.00 0.10 0.00 0.00 34.13 34.27 3bdm s GLU 105 CO 0.32 -0.16 1.24 -0.51 0.02 0.00 0.00 175.26 176.18 3bdm s ASP 106 N -1.47 6.89 0.05 -0.19 1.01 -1.26 -3.87 116.67 117.84 3bdm s ASP 106 Ca -0.13 2.55 -0.30 0.00 0.71 0.00 0.00 52.55 55.38 3bdm s ASP 106 Cb -0.06 -2.64 -0.08 0.00 1.01 0.00 0.00 42.92 41.15 3bdm s ASP 106 CO 0.02 -0.44 1.69 -0.51 0.21 0.00 0.00 175.17 176.15 3bdm s ILE 107 N -1.16 3.08 0.22 0.77 2.07 -1.26 -4.94 121.20 119.98 3bdm s ILE 107 Ca 0.48 0.45 -0.32 0.00 -1.41 0.00 0.00 60.65 59.85 3bdm s ILE 107 Cb -0.37 -3.29 -0.13 0.00 0.13 0.00 0.00 42.46 38.80 3bdm s ILE 107 CO 0.49 -0.01 1.55 -2.65 -1.91 0.00 0.00 174.94 172.40 3bdm n PRO 108 N 5.99 2.32 -0.31 3.50 -0.02 -1.26 -4.84 135.00 140.37 3bdm n PRO 108 Ca 0.17 0.83 0.06 0.00 -2.02 0.00 0.00 63.50 62.54 3bdm n PRO 108 Cb 0.41 -2.58 0.16 0.00 -0.02 0.00 0.00 33.50 31.47 3bdm n PRO 108 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3bdm h VAL 109 N 3.40 0.14 -0.50 -1.45 2.07 -1.92 -0.15 116.25 117.83 3bdm h VAL 109 Ca -0.45 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 3bdm h VAL 109 Cb 1.25 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3bdm h VAL 109 CO 0.84 0.00 0.08 -0.08 0.02 0.00 0.00 177.57 178.43 3bdm h GLU 110 N 0.02 0.79 -0.83 1.57 4.81 -1.99 -2.03 114.58 116.91 3bdm h GLU 110 Ca 0.45 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.52 3bdm h GLU 110 Cb 0.77 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 3bdm h GLU 110 CO -0.87 0.74 0.55 0.82 -0.73 0.00 0.00 179.01 179.52 3bdm h ILE 111 N 0.75 1.21 -0.40 2.32 2.04 -1.39 0.17 117.51 122.22 3bdm h ILE 111 Ca 0.16 -0.38 -0.12 0.00 1.00 0.00 0.00 64.86 65.51 3bdm h ILE 111 Cb 0.34 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3bdm h ILE 111 CO 0.01 0.20 -0.22 0.25 0.00 0.00 0.00 178.15 178.39 3bdm h LEU 112 N 1.12 0.89 -0.46 1.44 6.46 -1.29 -2.78 115.31 120.69 3bdm h LEU 112 Ca 0.30 -0.42 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 3bdm h LEU 112 Cb -0.13 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.53 3bdm h LEU 112 CO -0.07 1.11 0.23 0.58 -0.62 0.00 0.00 178.44 179.68 3bdm h VAL 113 N 0.67 1.18 -0.69 1.05 2.07 -0.80 -2.64 116.25 117.10 3bdm h VAL 113 Ca 0.08 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3bdm h VAL 113 Cb 0.79 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3bdm h VAL 113 CO 0.06 0.20 0.34 -0.09 0.02 0.00 0.00 177.57 178.10 3bdm h ARG 114 N 0.61 0.98 -0.28 1.57 2.43 -0.59 -1.30 114.38 117.79 3bdm h ARG 114 Ca 0.16 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3bdm h ARG 114 Cb 0.10 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3bdm h ARG 114 CO -0.02 0.76 0.13 -0.09 -1.51 0.00 0.00 179.97 179.24 3bdm h ARG 115 N 0.95 0.41 -0.97 0.20 9.65 -1.45 0.47 114.38 123.63 3bdm h ARG 115 Ca 0.24 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 59.06 3bdm h ARG 115 Cb 0.10 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.56 3bdm h ARG 115 CO -0.03 0.40 0.63 1.25 2.80 0.00 0.00 179.97 185.02 3bdm h LEU 116 N 0.32 1.12 -0.92 3.80 6.46 -1.26 -1.74 115.31 123.08 3bdm h LEU 116 Ca 0.10 -0.04 -0.09 0.00 -0.12 0.00 0.00 57.88 57.73 3bdm h LEU 116 Cb 0.13 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 3bdm h LEU 116 CO -0.01 0.82 -0.41 0.28 -0.62 0.00 0.00 178.44 178.50 3bdm h SER 117 N 1.32 0.00 0.11 1.25 0.02 -0.87 -2.91 113.55 112.47 3bdm h SER 117 Ca 0.35 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.16 3bdm h SER 117 Cb -0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3bdm h SER 117 CO -0.07 0.41 -0.51 0.44 -1.14 0.00 0.00 176.83 175.95 3bdm h ASP 118 N 0.00 0.49 -0.43 3.07 3.45 -0.06 -1.80 116.42 121.14 3bdm h ASP 118 Ca -0.00 -0.25 -0.02 0.00 0.43 0.00 0.00 57.03 57.19 3bdm h ASP 118 Cb 0.92 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.53 3bdm h ASP 118 CO 0.05 0.91 0.20 0.40 -1.57 0.00 0.00 179.24 179.24 3bdm h ILE 119 N 0.35 1.18 0.04 0.35 2.04 -1.20 -1.56 117.51 118.70 3bdm h ILE 119 Ca 0.01 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3bdm h ILE 119 Cb 1.02 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3bdm h ILE 119 CO 0.09 0.20 -0.02 0.11 0.00 0.00 0.00 178.15 178.53 3bdm h LYS 120 N 0.56 -0.05 -1.04 2.37 1.57 -1.42 -2.60 116.57 115.96 3bdm h LYS 120 Ca 0.15 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 59.20 3bdm h LYS 120 Cb 0.13 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.37 3bdm h LYS 120 CO -0.02 0.18 0.68 0.37 -0.57 0.00 0.00 179.45 180.09 3bdm h GLN 121 N -0.27 0.33 0.14 3.15 -0.00 -1.09 -1.61 115.11 115.76 3bdm h GLN 121 Ca -0.01 -0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.64 3bdm h GLN 121 Cb 0.25 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.63 3bdm h GLN 121 CO 0.01 0.22 -0.25 0.78 0.00 0.00 0.00 178.83 179.59 3bdm h GLY 122 N 0.34 -0.48 1.95 2.39 0.00 -0.87 -1.08 103.07 105.31 3bdm h GLY 122 Ca 0.58 0.29 0.00 0.00 0.00 0.00 0.00 47.33 48.20 3bdm h GLY 122 CO -0.25 -0.22 0.02 -1.72 0.00 0.00 0.00 176.54 174.37 3bdm n TYR 123 N -5.37 0.41 0.12 5.60 4.02 -0.61 -0.74 117.16 120.59 3bdm n TYR 123 Ca -0.07 0.21 0.08 0.00 -0.01 0.00 0.00 57.90 58.12 3bdm n TYR 123 Cb 0.28 -0.83 0.02 0.00 -0.02 0.00 0.00 39.34 38.79 3bdm n TYR 123 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3bdm h THR 124 N 0.00 0.19 0.00 -0.72 2.02 -1.13 -3.40 112.91 109.87 3bdm h THR 124 Ca 0.00 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.85 3bdm h THR 124 Cb 0.03 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3bdm h THR 124 CO 0.00 0.11 -0.60 1.67 0.37 0.00 0.00 175.52 177.06 3bdm n GLN 125 N -2.87 3.37 -3.54 6.66 7.27 0.08 -4.77 117.38 123.57 3bdm n GLN 125 Ca -0.01 -0.02 -0.14 0.00 0.07 0.00 0.00 57.00 56.91 3bdm n GLN 125 Cb 0.62 -0.86 -0.05 0.00 2.41 0.00 0.00 30.24 32.36 3bdm n GLN 125 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 3bdm s HIS 126 N -1.75 -0.50 0.00 3.69 -3.43 -0.95 -5.01 115.29 107.33 3bdm s HIS 126 Ca 0.00 0.82 0.00 0.00 -0.80 0.00 0.00 55.06 55.08 3bdm s HIS 126 Cb 0.03 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.62 3bdm s HIS 126 CO 0.17 -0.49 0.00 0.41 -2.00 0.00 0.00 174.74 172.83 3bdm n GLY 127 N 0.72 1.31 2.35 -1.38 0.00 -1.26 -4.46 105.19 102.47 3bdm n GLY 127 Ca -0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 3bdm n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bdm n GLY 128 N -0.51 1.37 3.85 -0.02 0.00 -1.26 -4.96 105.19 103.66 3bdm n GLY 128 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3bdm n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdm s LEU 129 N -4.53 3.90 0.50 0.99 1.43 -1.26 -4.71 118.68 114.99 3bdm s LEU 129 Ca 0.00 -0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 52.73 3bdm s LEU 129 Cb 0.00 -2.44 -0.08 0.00 0.03 0.00 0.00 46.19 43.70 3bdm s LEU 129 CO 0.00 -0.03 1.00 0.00 0.23 0.00 0.00 176.35 177.55 3bdm s ARG 130 N -3.80 3.86 0.96 1.70 1.70 -1.26 -4.78 118.95 117.33 3bdm s ARG 130 Ca 0.33 1.13 -0.12 0.00 -0.47 0.00 0.00 55.73 56.60 3bdm s ARG 130 Cb -0.08 -2.12 0.17 0.00 -0.57 0.00 0.00 34.95 32.35 3bdm s ARG 130 CO 0.25 -0.35 1.11 -2.14 -1.08 0.00 0.00 175.30 173.09 3bdm s PRO 131 N -3.67 0.75 -0.07 3.89 0.02 -1.26 -4.99 135.00 129.68 3bdm s PRO 131 Ca 0.62 0.43 -0.27 0.00 0.02 0.00 0.00 61.00 61.81 3bdm s PRO 131 Cb -0.12 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 3bdm s PRO 131 CO 0.25 -2.49 0.86 -0.06 -0.33 0.00 0.00 177.00 175.23 3bdm s PHE 132 N -3.09 3.57 -1.44 6.54 0.40 -1.26 -4.93 117.98 117.76 3bdm s PHE 132 Ca 0.65 1.45 -0.12 0.00 -0.60 0.00 0.00 56.93 58.30 3bdm s PHE 132 Cb -0.17 -3.00 0.05 0.00 0.51 0.00 0.00 43.02 40.41 3bdm s PHE 132 CO 0.56 -0.04 2.26 0.41 0.70 0.00 0.00 175.22 179.10 3bdm n GLY 133 N 3.10 4.49 3.24 4.36 0.00 -1.26 -4.49 105.19 114.62 3bdm n GLY 133 Ca 0.04 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 3bdm n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 134 N 2.45 0.03 -0.02 1.61 1.01 -1.26 0.02 120.40 124.24 3bdm s VAL 134 Ca 0.49 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.23 3bdm s VAL 134 Cb 0.14 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 3bdm s VAL 134 CO -0.07 -0.15 -0.12 -0.44 0.00 0.00 0.00 175.10 174.32 3bdm s SER 135 N -0.68 1.44 0.11 3.32 0.01 -0.58 -2.64 113.70 114.68 3bdm s SER 135 Ca -0.08 -0.22 0.10 0.00 1.31 0.00 0.00 55.95 57.06 3bdm s SER 135 Cb -0.04 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 3bdm s SER 135 CO 0.03 0.13 -0.25 -0.36 0.41 0.00 0.00 173.24 173.20 3bdm s PHE 136 N -0.17 2.35 -0.26 2.43 0.40 0.22 -2.21 117.98 120.74 3bdm s PHE 136 Ca 0.03 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.01 3bdm s PHE 136 Cb -0.06 -1.29 0.07 0.00 0.51 0.00 0.00 43.02 42.25 3bdm s PHE 136 CO -0.00 0.32 -0.07 0.42 0.70 0.00 0.00 175.22 176.59 3bdm s ILE 137 N -1.03 1.96 -0.19 0.64 1.01 -0.84 -0.78 121.20 121.97 3bdm s ILE 137 Ca 0.14 -1.60 -0.16 0.00 0.00 0.00 0.00 60.65 59.04 3bdm s ILE 137 Cb -0.10 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3bdm s ILE 137 CO 0.06 -0.14 0.39 -0.31 0.00 0.00 0.00 174.94 174.94 3bdm s TYR 138 N 1.17 3.40 -0.35 3.97 1.51 0.23 -1.52 117.35 125.76 3bdm s TYR 138 Ca -0.05 0.64 0.04 0.00 -1.01 0.00 0.00 57.07 56.69 3bdm s TYR 138 Cb -0.19 -2.50 0.10 0.00 -0.11 0.00 0.00 41.96 39.26 3bdm s TYR 138 CO -0.06 0.05 0.07 0.00 -1.11 0.00 0.00 175.55 174.50 3bdm s ALA 139 N 1.10 2.89 0.31 3.71 0.00 0.37 -0.76 121.76 129.38 3bdm s ALA 139 Ca 0.19 -2.57 0.05 0.00 0.00 0.00 0.00 51.96 49.63 3bdm s ALA 139 Cb -0.14 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 3bdm s ALA 139 CO 0.08 -1.72 0.23 0.20 0.00 0.00 0.00 175.76 174.55 3bdm s GLY 140 N 0.82 2.17 -0.00 0.00 0.00 -1.06 -1.80 107.32 107.46 3bdm s GLY 140 Ca 0.11 -1.92 0.00 0.00 0.00 0.00 0.00 44.72 42.91 3bdm s GLY 140 CO -0.08 -1.50 0.00 -0.47 0.00 0.00 0.00 173.10 171.06 3bdm s TYR 141 N -3.57 0.00 0.20 1.90 6.14 0.45 -1.47 117.35 121.00 3bdm s TYR 141 Ca 0.39 0.01 -0.05 0.00 0.64 0.00 0.00 57.07 58.07 3bdm s TYR 141 Cb 0.03 -0.03 -0.03 0.00 0.42 0.00 0.00 41.96 42.36 3bdm s TYR 141 CO 0.23 -0.01 0.22 0.16 0.64 0.00 0.00 175.55 176.79 3bdm s ASP 142 N 0.12 0.10 -0.05 4.32 1.47 -1.07 -4.80 116.67 116.76 3bdm s ASP 142 Ca -0.01 -1.21 0.08 0.00 1.18 0.00 0.00 52.55 52.58 3bdm s ASP 142 Cb -0.01 0.42 0.30 0.00 -0.34 0.00 0.00 42.92 43.29 3bdm s ASP 142 CO -0.00 -0.90 1.12 -0.90 0.68 0.00 0.00 175.17 175.17 3bdm n ASP 143 N -0.27 2.28 -0.00 2.11 5.75 -1.26 -0.52 116.55 124.64 3bdm n ASP 143 Ca -0.01 -2.19 0.03 0.00 -0.01 0.00 0.00 54.79 52.62 3bdm n ASP 143 Cb 0.64 -0.39 -0.03 0.00 -1.03 0.00 0.00 41.12 40.31 3bdm n ASP 143 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3bdm n ARG 144 N 0.33 4.80 0.00 0.11 0.63 -1.26 -4.73 116.66 116.53 3bdm n ARG 144 Ca 0.11 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 3bdm n ARG 144 Cb 0.44 -0.80 0.00 0.00 0.45 0.00 0.00 32.46 32.55 3bdm n ARG 144 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3bdm n TYR 14 N -1.17 0.00 -4.57 -0.14 4.01 -1.24 -5.14 117.16 108.91 3bdm n TYR 14 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3bdm n TYR 14 Cb 0.10 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 3bdm n TYR 14 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bdm n GLY 145 N 0.00 2.56 3.73 2.72 0.00 0.32 -4.67 105.19 109.86 3bdm n GLY 145 Ca 0.00 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3bdm n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bdm s TYR 146 N 0.00 3.17 0.02 1.61 2.02 -1.26 -2.60 117.35 120.31 3bdm s TYR 146 Ca 0.00 0.99 0.00 0.00 -0.37 0.00 0.00 57.07 57.69 3bdm s TYR 146 Cb 0.00 -3.73 -0.02 0.00 -0.40 0.00 0.00 41.96 37.81 3bdm s TYR 146 CO 0.00 -2.48 -0.04 -0.65 -1.57 0.00 0.00 175.55 170.81 3bdm s GLN 147 N 0.48 0.34 -0.08 -0.62 -0.21 -0.54 -5.02 119.66 114.02 3bdm s GLN 147 Ca 0.62 -0.60 -0.00 0.00 0.02 0.00 0.00 55.36 55.39 3bdm s GLN 147 Cb -0.39 0.03 0.03 0.00 1.00 0.00 0.00 33.01 33.67 3bdm s GLN 147 CO 0.35 -0.03 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.29 3bdm s LEU 148 N -1.40 0.94 0.23 2.90 2.96 -1.26 -2.56 118.68 120.49 3bdm s LEU 148 Ca -0.14 -0.16 0.06 0.00 -0.22 0.00 0.00 54.13 53.66 3bdm s LEU 148 Cb -0.09 -0.57 -0.05 0.00 0.50 0.00 0.00 46.19 45.97 3bdm s LEU 148 CO -0.01 -0.14 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.51 3bdm s TYR 149 N 1.64 1.67 -0.04 5.38 2.02 0.06 -1.30 117.35 126.77 3bdm s TYR 149 Ca 0.01 -0.75 -0.03 0.00 -0.37 0.00 0.00 57.07 55.94 3bdm s TYR 149 Cb -0.13 -0.90 0.02 0.00 -0.40 0.00 0.00 41.96 40.55 3bdm s TYR 149 CO -0.05 0.17 0.10 -0.08 -1.57 0.00 0.00 175.55 174.13 3bdm s THR 150 N -3.17 -0.01 0.02 -0.71 -1.32 -0.54 0.73 115.64 110.64 3bdm s THR 150 Ca 0.25 0.05 0.01 0.00 -1.21 0.00 0.00 61.69 60.80 3bdm s THR 150 Cb 0.03 -0.16 -0.02 0.00 -1.51 0.00 0.00 72.50 70.85 3bdm s THR 150 CO 0.08 0.02 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.52 3bdm s SER 151 N 0.35 0.54 0.42 8.08 1.04 0.04 -1.66 113.70 122.52 3bdm s SER 151 Ca -0.03 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.08 3bdm s SER 151 Cb -0.04 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.09 3bdm s SER 151 CO -0.01 -0.14 0.14 0.54 0.98 0.00 0.00 173.24 174.75 3bdm s ASN 152 N -1.01 2.89 0.56 7.02 2.20 -1.10 0.73 114.94 126.23 3bdm s ASN 152 Ca -0.07 -1.71 0.36 0.00 -0.94 0.00 0.00 52.86 50.50 3bdm s ASN 152 Cb -0.07 0.57 1.48 0.00 -2.00 0.00 0.00 41.25 41.24 3bdm s ASN 152 CO -0.00 -0.97 1.71 -0.65 -2.94 0.00 0.00 177.10 174.25 3bdm h PRO 153 N 1.74 0.00 0.00 3.55 0.11 -1.73 -0.06 132.00 135.61 3bdm h PRO 153 Ca -0.35 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 3bdm h PRO 153 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3bdm h PRO 153 CO 0.55 0.00 -0.13 0.66 -0.21 0.00 0.00 178.00 178.87 3bdm h SER 154 N 0.00 0.00 0.00 -2.05 4.64 -1.91 -3.42 113.55 110.81 3bdm h SER 154 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 3bdm h SER 154 Cb 2.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.53 3bdm h SER 154 CO -0.01 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 3bdm n GLY 155 N 0.17 0.91 3.91 -0.77 0.00 -0.04 -4.22 105.19 105.16 3bdm n GLY 155 Ca 0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3bdm n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bdm s ASN 156 N -2.01 6.43 0.02 1.61 3.04 -1.26 -4.58 114.94 118.18 3bdm s ASN 156 Ca 0.00 0.45 -0.07 0.00 0.04 0.00 0.00 52.86 53.28 3bdm s ASN 156 Cb 0.00 -2.03 -0.00 0.00 -1.54 0.00 0.00 41.25 37.67 3bdm s ASN 156 CO 0.00 0.05 0.13 -0.72 -3.04 0.00 0.00 177.10 173.52 3bdm s TYR 157 N -1.70 0.10 0.16 0.43 -0.85 -1.26 -2.72 117.35 111.52 3bdm s TYR 157 Ca 0.39 -0.28 -0.10 0.00 -0.52 0.00 0.00 57.07 56.55 3bdm s TYR 157 Cb -0.12 -0.08 -0.00 0.00 0.38 0.00 0.00 41.96 42.14 3bdm s TYR 157 CO 0.27 -0.34 0.32 0.95 -1.52 0.00 0.00 175.55 175.22 3bdm s THR 158 N -2.01 0.06 0.14 -3.49 -4.23 -0.66 -4.97 115.64 100.48 3bdm s THR 158 Ca -0.10 -1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 59.12 3bdm s THR 158 Cb -0.04 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.99 3bdm s THR 158 CO -0.01 -0.29 0.33 -0.83 -0.54 0.00 0.00 174.62 173.28 3bdm s GLY 159 N -2.94 2.07 0.08 3.99 0.00 -1.26 -1.47 107.32 107.79 3bdm s GLY 159 Ca 0.15 -0.73 -0.06 0.00 0.00 0.00 0.00 44.72 44.08 3bdm s GLY 159 CO -0.01 -0.68 0.11 -0.98 0.00 0.00 0.00 173.10 171.54 3bdm s TRP 160 N -1.69 0.34 -0.18 1.90 0.52 -0.42 -4.98 118.94 114.43 3bdm s TRP 160 Ca 0.38 -0.81 -0.03 0.00 0.02 0.00 0.00 56.10 55.67 3bdm s TRP 160 Cb -0.12 -0.20 -0.22 0.00 -1.15 0.00 0.00 33.47 31.78 3bdm s TRP 160 CO 0.27 -0.50 0.09 1.63 0.02 0.00 0.00 176.95 178.46 3bdm n LYS 161 N -0.01 0.71 -3.77 4.98 5.02 -1.26 -4.28 118.16 119.54 3bdm n LYS 161 Ca -0.14 0.21 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 3bdm n LYS 161 Cb 0.62 -1.62 -0.11 0.00 -0.02 0.00 0.00 35.03 33.90 3bdm n LYS 161 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bdm s ALA 162 N -2.54 -0.74 -0.08 7.82 0.00 -1.26 0.07 121.76 125.04 3bdm s ALA 162 Ca -0.28 0.72 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 3bdm s ALA 162 Cb 0.08 -0.37 0.11 0.00 0.00 0.00 0.00 23.12 22.94 3bdm s ALA 162 CO 0.69 -0.17 0.92 -1.50 0.00 0.00 0.00 175.76 175.70 3bdm s ILE 163 N -0.18 0.00 0.05 0.00 -1.16 0.23 -4.99 121.20 115.14 3bdm s ILE 163 Ca -0.03 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.11 3bdm s ILE 163 Cb -0.03 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 42.01 3bdm s ILE 163 CO 0.01 0.00 -0.04 -0.94 -2.81 0.00 0.00 174.94 171.16 3bdm s SER 164 N -1.76 0.59 0.07 4.50 1.04 -1.26 0.58 113.70 117.45 3bdm s SER 164 Ca 0.01 -0.83 -0.03 0.00 0.48 0.00 0.00 55.95 55.58 3bdm s SER 164 Cb -0.01 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 3bdm s SER 164 CO -0.03 -0.46 0.02 0.68 0.98 0.00 0.00 173.24 174.44 3bdm s VAL 165 N -2.97 0.19 0.00 5.02 -7.23 0.98 -4.95 120.40 111.44 3bdm s VAL 165 Ca 0.00 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 3bdm s VAL 165 Cb 0.01 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.41 3bdm s VAL 165 CO -0.06 -0.88 0.00 0.61 -0.31 0.00 0.00 175.10 174.47 3bdm n GLY 166 N 0.05 0.78 3.86 2.32 0.00 -1.26 -0.76 105.19 110.19 3bdm n GLY 166 Ca -0.13 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 3bdm n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm s ALA 167 N -2.00 3.25 -1.48 4.61 0.00 0.10 -4.22 121.76 122.03 3bdm s ALA 167 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.86 3bdm s ALA 167 Cb 0.00 -2.85 0.06 0.00 0.00 0.00 0.00 23.12 20.33 3bdm s ALA 167 CO 0.00 0.00 0.72 0.09 0.00 0.00 0.00 175.76 176.57 3bdm n ASN 168 N -1.17 -2.40 0.02 0.00 3.02 -1.26 -4.58 115.26 108.90 3bdm n ASN 168 Ca 0.04 -0.90 -0.13 0.00 -0.03 0.00 0.00 54.58 53.56 3bdm n ASN 168 Cb 0.54 -3.47 -0.02 0.00 -0.61 0.00 0.00 39.78 36.22 3bdm n ASN 168 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3bdm h THR 169 N -1.86 1.34 -0.68 3.41 1.35 -1.92 -2.12 112.91 112.42 3bdm h THR 169 Ca -0.60 -2.10 0.04 0.00 -0.55 0.00 0.00 66.41 63.20 3bdm h THR 169 Cb 1.37 2.09 -0.05 0.00 -1.73 0.00 0.00 68.15 69.83 3bdm h THR 169 CO 0.65 0.64 0.41 -1.28 -0.25 0.00 0.00 175.52 175.70 3bdm h SER 170 N 0.38 0.67 -0.11 5.36 0.87 -1.94 0.63 113.55 119.41 3bdm h SER 170 Ca -0.05 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 3bdm h SER 170 Cb 1.37 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3bdm h SER 170 CO 0.14 0.45 -0.03 0.00 -0.53 0.00 0.00 176.83 176.87 3bdm h ALA 171 N 1.31 0.15 -0.70 6.23 0.00 -1.95 -2.52 119.26 121.78 3bdm h ALA 171 Ca 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3bdm h ALA 171 Cb 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3bdm h ALA 171 CO -0.12 -0.11 0.35 0.00 0.00 0.00 0.00 179.25 179.37 3bdm h ALA 172 N 0.68 0.90 -0.40 0.00 0.00 -0.90 -2.07 119.26 117.47 3bdm h ALA 172 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3bdm h ALA 172 Cb 0.45 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3bdm h ALA 172 CO 0.01 0.44 0.16 0.37 0.00 0.00 0.00 179.25 180.24 3bdm h GLN 173 N 0.97 0.59 -0.17 0.00 5.75 0.24 -1.55 115.11 120.94 3bdm h GLN 173 Ca 0.24 -0.10 0.01 0.00 -0.15 0.00 0.00 58.65 58.65 3bdm h GLN 173 Cb 0.09 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 3bdm h GLN 173 CO -0.03 0.55 0.08 1.15 -2.65 0.00 0.00 178.83 177.93 3bdm h THR 174 N 0.50 0.99 -0.77 2.39 2.02 -1.25 0.36 112.91 117.15 3bdm h THR 174 Ca 0.13 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.28 3bdm h THR 174 Cb 0.18 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 3bdm h THR 174 CO -0.01 0.03 0.51 -0.07 0.37 0.00 0.00 175.52 176.35 3bdm h LEU 175 N 0.17 0.84 -0.14 2.58 3.38 -1.23 -0.89 115.31 120.02 3bdm h LEU 175 Ca 0.07 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3bdm h LEU 175 Cb 0.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3bdm h LEU 175 CO -0.05 0.59 -0.27 -0.07 0.09 0.00 0.00 178.44 178.72 3bdm h LEU 176 N 0.98 0.49 -0.27 1.67 3.38 -0.82 -2.83 115.31 117.91 3bdm h LEU 176 Ca 0.29 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3bdm h LEU 176 Cb -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3bdm h LEU 176 CO -0.08 0.95 0.00 1.67 0.09 0.00 0.00 178.44 181.07 3bdm n GLN 177 N -4.42 0.04 -0.04 1.13 7.27 0.12 -1.14 117.38 120.35 3bdm n GLN 177 Ca -0.07 0.42 -0.18 0.00 0.07 0.00 0.00 57.00 57.24 3bdm n GLN 177 Cb 0.46 -1.60 -0.14 0.00 2.41 0.00 0.00 30.24 31.37 3bdm n GLN 177 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 3bdm n MET 178 N -1.69 0.71 -0.06 3.69 2.81 -0.39 -4.62 117.12 117.57 3bdm n MET 178 Ca 0.01 0.22 0.02 0.00 -1.81 0.00 0.00 57.70 56.15 3bdm n MET 178 Cb 0.09 -1.66 0.06 0.00 -0.71 0.00 0.00 33.22 31.00 3bdm n MET 178 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3bdm n ASP 179 N -3.32 2.30 -4.72 7.83 8.00 -0.99 -5.01 116.55 120.63 3bdm n ASP 179 Ca -0.34 -1.96 -0.40 0.00 0.71 0.00 0.00 54.79 52.80 3bdm n ASP 179 Cb 1.04 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 42.01 3bdm n ASP 179 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3bdm s TYR 180 N -0.97 3.62 -0.05 1.24 5.04 -0.29 -5.05 117.35 120.90 3bdm s TYR 180 Ca 0.09 1.38 0.03 0.00 -2.44 0.00 0.00 57.07 56.13 3bdm s TYR 180 Cb 0.04 -2.88 0.01 0.00 0.35 0.00 0.00 41.96 39.49 3bdm s TYR 180 CO 0.06 0.10 -0.13 -1.59 -1.34 0.00 0.00 175.55 172.65 3bdm s LYS 181 N 0.70 1.64 0.24 4.97 -2.85 -1.26 -5.01 119.74 118.17 3bdm s LYS 181 Ca 0.41 -0.45 -0.09 0.00 -1.00 0.00 0.00 55.97 54.83 3bdm s LYS 181 Cb -0.19 -1.38 0.38 0.00 -2.06 0.00 0.00 37.83 34.58 3bdm s LYS 181 CO 0.21 0.10 1.62 -0.44 0.10 0.00 0.00 175.35 176.94 3bdm h ASP 182 N 6.70 -0.49 0.00 0.03 3.45 -1.97 0.14 116.42 124.29 3bdm h ASP 182 Ca -0.31 0.21 0.00 0.00 0.43 0.00 0.00 57.03 57.35 3bdm h ASP 182 Cb 1.18 0.39 0.00 0.00 -0.56 0.00 0.00 39.33 40.34 3bdm h ASP 182 CO 0.48 -0.21 0.00 -0.90 -1.57 0.00 0.00 179.24 177.04 3bdm n ASP 183 N -5.41 0.21 -4.59 6.45 5.68 -1.26 -4.51 116.55 113.12 3bdm n ASP 183 Ca 0.12 -1.11 -0.34 0.00 -0.50 0.00 0.00 54.79 52.96 3bdm n ASP 183 Cb 0.43 -0.11 0.12 0.00 -1.14 0.00 0.00 41.12 40.43 3bdm n ASP 183 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3bdm n MET 184 N -0.22 0.08 -4.35 0.11 2.81 0.48 -4.85 117.12 111.17 3bdm n MET 184 Ca 0.00 0.09 -0.23 0.00 -1.81 0.00 0.00 57.70 55.75 3bdm n MET 184 Cb 0.05 -2.20 -0.08 0.00 -0.71 0.00 0.00 33.22 30.28 3bdm n MET 184 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3bdm s LYS 185 N -3.78 2.08 0.17 0.03 2.36 -1.26 -2.20 119.74 117.13 3bdm s LYS 185 Ca 0.68 -1.53 -0.23 0.00 -2.55 0.00 0.00 55.97 52.35 3bdm s LYS 185 Cb -0.28 -2.03 0.06 0.00 -1.05 0.00 0.00 37.83 34.53 3bdm s LYS 185 CO 0.56 0.36 1.60 0.28 1.55 0.00 0.00 175.35 179.69 3bdm h VAL 186 N 2.04 0.24 -0.03 4.02 2.07 -1.90 -0.10 116.25 122.60 3bdm h VAL 186 Ca -0.43 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3bdm h VAL 186 Cb 1.25 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3bdm h VAL 186 CO 0.60 0.00 -0.07 0.44 0.02 0.00 0.00 177.57 178.56 3bdm h ASP 187 N -0.24 0.03 0.10 0.57 5.19 -1.98 0.29 116.42 120.38 3bdm h ASP 187 Ca 0.18 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.58 3bdm h ASP 187 Cb 0.53 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.04 3bdm h ASP 187 CO -0.54 0.11 -0.05 0.44 -3.12 0.00 0.00 179.24 176.08 3bdm h ASP 188 N 0.04 -0.11 -0.87 6.45 3.45 -1.49 -1.63 116.42 122.25 3bdm h ASP 188 Ca 0.01 -0.13 0.03 0.00 0.43 0.00 0.00 57.03 57.37 3bdm h ASP 188 Cb 0.15 0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 38.90 3bdm h ASP 188 CO 0.01 0.06 0.57 0.00 -1.57 0.00 0.00 179.24 178.31 3bdm h ALA 189 N 0.60 1.14 -0.79 3.45 0.00 0.17 -0.20 119.26 123.64 3bdm h ALA 189 Ca -0.01 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.93 3bdm h ALA 189 Cb 0.24 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3bdm h ALA 189 CO 0.02 0.43 0.47 0.82 0.00 0.00 0.00 179.25 180.98 3bdm h ILE 190 N 1.11 0.98 0.13 0.00 2.04 -0.18 0.20 117.51 121.79 3bdm h ILE 190 Ca 0.34 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 3bdm h ILE 190 Cb -0.02 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 3bdm h ILE 190 CO -0.11 0.15 -0.06 -0.08 0.00 0.00 0.00 178.15 178.05 3bdm h GLU 191 N 0.83 -0.17 -0.84 2.37 4.81 -0.55 -1.77 114.58 119.26 3bdm h GLU 191 Ca 0.36 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.76 3bdm h GLU 191 Cb 0.23 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.55 3bdm h GLU 191 CO -0.20 0.27 0.40 1.25 -0.73 0.00 0.00 179.01 180.01 3bdm h LEU 192 N -0.70 0.44 0.24 1.64 6.46 -0.82 -0.01 115.31 122.55 3bdm h LEU 192 Ca -0.02 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 3bdm h LEU 192 Cb 0.52 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 3bdm h LEU 192 CO 0.03 0.15 -0.20 0.00 -0.62 0.00 0.00 178.44 177.79 3bdm h ALA 193 N 1.59 -0.95 -0.69 1.25 0.00 -0.52 -0.44 119.26 119.50 3bdm h ALA 193 Ca 0.48 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.44 3bdm h ALA 193 Cb 0.74 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 3bdm h ALA 193 CO -0.41 -0.96 0.14 -0.07 0.00 0.00 0.00 179.25 177.96 3bdm h LEU 194 N -0.43 -0.02 -0.37 0.00 3.38 -0.75 -1.85 115.31 115.26 3bdm h LEU 194 Ca -0.03 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3bdm h LEU 194 Cb 0.37 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3bdm h LEU 194 CO -0.01 -0.03 0.23 0.11 0.09 0.00 0.00 178.44 178.83 3bdm h LYS 195 N 0.25 0.50 -0.24 1.13 1.79 -0.93 -1.07 116.57 118.01 3bdm h LYS 195 Ca 0.38 -0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.85 3bdm h LYS 195 Cb 0.62 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.12 3bdm h LYS 195 CO -0.48 0.37 -0.03 1.15 -1.08 0.00 0.00 179.45 179.38 3bdm h THR 196 N 0.49 0.80 0.28 -0.16 2.02 -0.25 -2.17 112.91 113.92 3bdm h THR 196 Ca 0.13 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 3bdm h THR 196 Cb -0.01 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3bdm h THR 196 CO -0.03 0.01 -0.25 -0.07 0.37 0.00 0.00 175.52 175.55 3bdm h LEU 197 N 0.04 -0.67 -1.64 2.58 3.38 -1.31 -2.16 115.31 115.54 3bdm h LEU 197 Ca 0.11 0.06 0.34 0.00 0.09 0.00 0.00 57.88 58.48 3bdm h LEU 197 Cb 0.16 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3bdm h LEU 197 CO -0.21 -0.37 1.06 -1.28 0.09 0.00 0.00 178.44 177.72 3bdm h SER 198 N -0.56 0.00 0.33 -0.43 0.87 -0.69 0.56 113.55 113.63 3bdm h SER 198 Ca -0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 3bdm h SER 198 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 3bdm h SER 198 CO -0.04 0.00 -1.70 0.29 -0.53 0.00 0.00 176.83 174.86 3bdm n LYS 199 N -3.68 0.64 0.00 2.24 5.02 -0.86 -4.36 118.16 117.16 3bdm n LYS 199 Ca 0.26 -0.07 0.08 0.00 -2.02 0.00 0.00 58.31 56.56 3bdm n LYS 199 Cb 1.43 -1.63 -0.13 0.00 -0.02 0.00 0.00 35.03 34.68 3bdm n LYS 199 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3bdm n THR 200 N -2.44 0.36 -1.49 -0.18 -2.24 0.16 -4.99 114.28 103.46 3bdm n THR 200 Ca -0.05 -0.57 -0.48 0.00 -2.27 0.00 0.00 64.05 60.68 3bdm n THR 200 Cb 0.61 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 3bdm n THR 200 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3bdm n THR 202 N -2.44 1.65 1.24 4.28 -1.04 0.10 -4.84 114.28 113.23 3bdm n THR 202 Ca -0.07 -0.41 0.13 0.00 -2.04 0.00 0.00 64.05 61.65 3bdm n THR 202 Cb 0.66 -0.40 0.36 0.00 -1.82 0.00 0.00 70.33 69.13 3bdm n THR 202 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3bdm n ASP 203 N 1.74 1.13 -4.92 8.00 8.00 -1.26 -4.90 116.55 124.33 3bdm n ASP 203 Ca 0.15 -0.97 -0.24 0.00 0.71 0.00 0.00 54.79 54.44 3bdm n ASP 203 Cb 0.25 0.15 0.06 0.00 -0.02 0.00 0.00 41.12 41.56 3bdm n ASP 203 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3bdm s SER 204 N -2.47 4.91 0.03 -2.24 0.01 -1.26 -5.04 113.70 107.65 3bdm s SER 204 Ca 0.25 0.28 -0.24 0.00 1.31 0.00 0.00 55.95 57.55 3bdm s SER 204 Cb 0.19 -0.98 -0.13 0.00 0.21 0.00 0.00 66.02 65.31 3bdm s SER 204 CO 0.51 -1.48 1.24 0.28 0.41 0.00 0.00 173.24 174.20 3bdm h SER 20 N -0.41 -0.73 -3.40 2.44 0.02 -2.01 -3.46 113.55 106.00 3bdm h SER 20 Ca -0.43 0.03 -0.44 0.00 -0.84 0.00 0.00 61.79 60.10 3bdm h SER 20 Cb 1.31 0.19 -0.14 0.00 0.14 0.00 0.00 62.40 63.90 3bdm h SER 20 CO 0.57 -0.48 -0.65 0.00 -1.14 0.00 0.00 176.83 175.13 3bdm s ALA 20 N -4.85 2.14 -0.72 3.77 0.00 -1.26 -5.10 121.76 115.73 3bdm s ALA 20 Ca -0.13 -1.90 -0.13 0.00 0.00 0.00 0.00 51.96 49.81 3bdm s ALA 20 Cb 0.01 0.45 0.19 0.00 0.00 0.00 0.00 23.12 23.77 3bdm s ALA 20 CO 0.38 -0.21 0.65 -1.17 0.00 0.00 0.00 175.76 175.41 3bdm s LEU 205 N -3.40 6.44 0.35 0.00 2.96 -1.26 -5.05 118.68 118.72 3bdm s LEU 205 Ca 0.31 -2.44 -0.02 0.00 -0.22 0.00 0.00 54.13 51.76 3bdm s LEU 205 Cb 0.06 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 3bdm s LEU 205 CO 0.12 -0.63 0.59 0.42 -1.32 0.00 0.00 176.35 175.53 3bdm s THR 206 N 0.56 5.05 0.26 3.68 -4.23 -1.26 -5.00 115.64 114.70 3bdm s THR 206 Ca 0.13 -0.20 -0.04 0.00 -1.18 0.00 0.00 61.69 60.40 3bdm s THR 206 Cb -0.17 -3.83 0.21 0.00 1.34 0.00 0.00 72.50 70.05 3bdm s THR 206 CO -0.05 -0.55 1.87 0.10 -0.54 0.00 0.00 174.62 175.45 3bdm h TYR 207 N 0.92 1.10 0.00 3.99 -0.00 -1.92 -2.69 116.97 118.37 3bdm h TYR 207 Ca -0.49 -0.04 0.00 0.00 -0.00 0.00 0.00 58.73 58.21 3bdm h TYR 207 Cb 1.21 -0.35 0.00 0.00 -0.00 0.00 0.00 36.73 37.59 3bdm h TYR 207 CO 0.54 0.78 0.00 -0.40 -0.00 0.00 0.00 178.16 179.08 3bdm n ASP 208 N -4.33 0.00 -0.45 0.10 5.75 -1.26 -0.91 116.55 115.45 3bdm n ASP 208 Ca 0.08 0.42 0.07 0.00 -0.01 0.00 0.00 54.79 55.35 3bdm n ASP 208 Cb 0.12 -0.42 0.17 0.00 -1.03 0.00 0.00 41.12 39.96 3bdm n ASP 208 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3bdm n ARG 209 N -1.42 2.36 -4.25 0.11 1.74 -1.01 -4.94 116.66 109.24 3bdm n ARG 209 Ca 0.00 -2.45 -0.16 0.00 -0.77 0.00 0.00 57.85 54.47 3bdm n ARG 209 Cb 0.00 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 29.81 3bdm n ARG 209 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3bdm s LEU 210 N -2.34 2.48 -0.02 0.55 1.43 -0.09 0.09 118.68 120.78 3bdm s LEU 210 Ca 0.30 -0.93 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 3bdm s LEU 210 Cb 0.24 -0.45 0.01 0.00 0.03 0.00 0.00 46.19 46.02 3bdm s LEU 210 CO 0.07 -0.24 -0.06 -1.61 0.23 0.00 0.00 176.35 174.74 3bdm s GLU 211 N -3.29 0.70 0.01 1.70 2.02 -0.87 -4.89 118.70 114.07 3bdm s GLU 211 Ca 0.14 -0.18 0.02 0.00 0.02 0.00 0.00 54.97 54.96 3bdm s GLU 211 Cb -0.01 -0.69 -0.01 0.00 0.10 0.00 0.00 34.13 33.52 3bdm s GLU 211 CO 0.02 0.04 -0.06 0.12 0.02 0.00 0.00 175.26 175.40 3bdm s PHE 212 N 0.35 0.53 -0.07 1.61 5.36 -1.26 -1.96 117.98 122.54 3bdm s PHE 212 Ca -0.05 -0.18 -0.14 0.00 -0.96 0.00 0.00 56.93 55.60 3bdm s PHE 212 Cb -0.09 -0.34 0.03 0.00 -0.34 0.00 0.00 43.02 42.29 3bdm s PHE 212 CO 0.00 -0.02 0.35 0.00 -1.46 0.00 0.00 175.22 174.09 3bdm s ALA 213 N -0.38 -0.88 0.01 11.12 0.00 0.01 -0.31 121.76 131.32 3bdm s ALA 213 Ca -0.00 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.67 3bdm s ALA 213 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3bdm s ALA 213 CO -0.00 -0.22 -0.05 0.95 0.00 0.00 0.00 175.76 176.44 3bdm s THR 214 N -0.60 0.35 -0.48 0.00 -4.23 -0.72 -0.20 115.64 109.77 3bdm s THR 214 Ca -0.07 -0.41 0.01 0.00 -1.18 0.00 0.00 61.69 60.03 3bdm s THR 214 Cb -0.04 -0.35 0.13 0.00 1.34 0.00 0.00 72.50 73.58 3bdm s THR 214 CO 0.03 -0.05 0.25 -0.63 -0.54 0.00 0.00 174.62 173.68 3bdm s ILE 215 N -0.46 2.99 0.29 2.99 1.09 -0.35 -1.44 121.20 126.31 3bdm s ILE 215 Ca -0.02 -2.70 0.11 0.00 -1.10 0.00 0.00 60.65 56.94 3bdm s ILE 215 Cb -0.04 -3.05 -0.05 0.00 -1.06 0.00 0.00 42.46 38.26 3bdm s ILE 215 CO -0.00 -0.75 -0.10 -0.13 -0.10 0.00 0.00 174.94 173.86 3bdm s ARG 216 N 0.38 1.92 -0.88 2.79 0.52 -0.63 -1.83 118.95 121.22 3bdm s ARG 216 Ca 0.13 -1.70 -0.01 0.00 -0.52 0.00 0.00 55.73 53.64 3bdm s ARG 216 Cb -0.22 -1.89 0.24 0.00 0.52 0.00 0.00 34.95 33.60 3bdm s ARG 216 CO -0.04 0.28 0.87 1.17 0.02 0.00 0.00 175.30 177.61 3bdm n LYS 21 N -0.77 2.86 -1.36 3.54 4.81 -1.26 0.16 118.16 126.14 3bdm n LYS 21 Ca -0.05 -4.52 -0.52 0.00 -0.87 0.00 0.00 58.31 52.35 3bdm n LYS 21 Cb 0.61 -2.40 -0.12 0.00 0.02 0.00 0.00 35.03 33.13 3bdm n LYS 21 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bdm n GLY 21 N 1.93 -0.19 0.33 3.14 0.00 -1.24 -4.76 105.19 104.40 3bdm n GLY 21 Ca 0.24 1.10 0.11 0.00 0.00 0.00 0.00 46.02 47.46 3bdm n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm h ALA 217 N 10.72 0.99 0.00 4.61 0.00 -1.96 -2.16 119.26 131.47 3bdm h ALA 217 Ca -0.11 0.32 -0.29 0.00 0.00 0.00 0.00 54.91 54.83 3bdm h ALA 217 Cb 1.37 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 3bdm h ALA 217 CO 1.19 -0.50 1.42 -1.71 0.00 0.00 0.00 179.25 179.64 3bdm n ASN 218 N -5.47 4.79 0.05 0.00 4.05 -1.26 -3.36 115.26 114.05 3bdm n ASN 218 Ca 0.20 -2.28 0.00 0.00 0.45 0.00 0.00 54.58 52.95 3bdm n ASN 218 Cb 0.65 -1.10 0.00 0.00 1.23 0.00 0.00 39.78 40.56 3bdm n ASN 218 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 3bdm n ASP 21 N 3.34 -0.88 0.00 1.20 2.03 -0.84 -5.02 116.55 116.38 3bdm n ASP 21 Ca 0.42 0.48 0.00 0.00 0.52 0.00 0.00 54.79 56.21 3bdm n ASP 21 Cb 0.40 1.13 0.00 0.00 -0.72 0.00 0.00 41.12 41.93 3bdm n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3bdm n GLY 21 N -1.20 0.60 3.45 0.27 0.00 -1.06 -5.08 105.19 102.16 3bdm n GLY 21 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3bdm n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bdm s GLU 219 N -0.90 1.83 0.40 1.61 2.12 -1.26 -5.04 118.70 117.45 3bdm s GLU 219 Ca 0.00 -1.13 -0.25 0.00 0.36 0.00 0.00 54.97 53.96 3bdm s GLU 219 Cb 0.00 -2.09 -0.09 0.00 0.26 0.00 0.00 34.13 32.21 3bdm s GLU 219 CO 0.00 0.50 1.08 0.08 -0.54 0.00 0.00 175.26 176.38 3bdm s VAL 21 N -1.02 3.55 -0.01 3.70 1.01 -1.26 -3.69 120.40 122.67 3bdm s VAL 21 Ca 0.16 1.23 0.04 0.00 0.00 0.00 0.00 61.98 63.40 3bdm s VAL 21 Cb -0.10 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3bdm s VAL 21 CO 0.07 0.05 -0.13 -0.47 0.00 0.00 0.00 175.10 174.62 3bdm s TYR 220 N -1.57 1.13 -0.15 5.22 6.14 0.42 -4.94 117.35 123.61 3bdm s TYR 220 Ca 0.57 -0.22 -0.07 0.00 0.64 0.00 0.00 57.07 57.99 3bdm s TYR 220 Cb -0.25 -0.73 -0.04 0.00 0.42 0.00 0.00 41.96 41.36 3bdm s TYR 220 CO 0.31 -0.02 0.12 -0.65 0.64 0.00 0.00 175.55 175.95 3bdm s GLN 221 N -0.28 3.67 -0.14 4.97 -0.21 -1.26 -1.60 119.66 124.81 3bdm s GLN 221 Ca 0.04 -0.20 -0.03 0.00 0.02 0.00 0.00 55.36 55.19 3bdm s GLN 221 Cb -0.05 -3.23 0.05 0.00 1.00 0.00 0.00 33.01 30.78 3bdm s GLN 221 CO -0.00 0.59 0.06 0.21 -2.12 0.00 0.00 175.29 174.03 3bdm s LYS 222 N -0.49 0.25 -0.37 2.91 2.20 -0.52 -5.00 119.74 118.72 3bdm s LYS 222 Ca 0.12 -0.05 -0.14 0.00 -0.36 0.00 0.00 55.97 55.54 3bdm s LYS 222 Cb -0.12 -1.53 -0.00 0.00 -1.51 0.00 0.00 37.83 34.67 3bdm s LYS 222 CO 0.02 -0.55 0.28 0.42 -0.36 0.00 0.00 175.35 175.16 3bdm s ILE 223 N 2.05 5.26 0.48 5.43 1.01 -1.26 -1.76 121.20 132.41 3bdm s ILE 223 Ca 0.02 -0.35 -0.24 0.00 0.00 0.00 0.00 60.65 60.08 3bdm s ILE 223 Cb -0.15 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.43 3bdm s ILE 223 CO -0.07 -0.14 1.42 0.49 0.00 0.00 0.00 174.94 176.64 3bdm n PHE 224 N 5.17 2.63 -2.94 3.97 0.99 0.58 -5.00 117.46 122.86 3bdm n PHE 224 Ca -0.12 0.43 -0.25 0.00 -0.00 0.00 0.00 57.45 57.52 3bdm n PHE 224 Cb 0.49 -2.44 0.00 0.00 -1.00 0.00 0.00 39.48 36.53 3bdm n PHE 224 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3bdm s LYS 225 N -2.57 3.30 0.21 -1.08 1.02 -1.26 -4.62 119.74 114.73 3bdm s LYS 225 Ca 0.64 -0.20 -0.15 0.00 0.02 0.00 0.00 55.97 56.28 3bdm s LYS 225 Cb -0.44 -2.51 0.21 0.00 -0.52 0.00 0.00 37.83 34.58 3bdm s LYS 225 CO 0.55 -0.18 1.62 -1.35 -0.92 0.00 0.00 175.35 175.07 3bdm h PRO 226 N 0.39 -0.04 0.00 -1.68 0.11 -1.94 0.23 132.00 129.06 3bdm h PRO 226 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3bdm h PRO 226 Cb 1.23 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3bdm h PRO 226 CO 0.60 -0.03 -0.05 0.37 -0.21 0.00 0.00 178.00 178.68 3bdm h GLN 227 N -0.04 0.00 0.04 1.05 5.75 -1.99 -1.59 115.11 118.33 3bdm h GLN 227 Ca 0.29 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.67 3bdm h GLN 227 Cb 0.49 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.05 3bdm h GLN 227 CO -0.66 0.05 -0.49 0.93 -2.65 0.00 0.00 178.83 176.01 3bdm h GLU 228 N 0.00 0.26 -0.66 1.69 5.08 -0.97 -2.72 114.58 117.26 3bdm h GLU 228 Ca -0.00 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 3bdm h GLU 228 Cb 0.21 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3bdm h GLU 228 CO 0.01 1.08 0.33 0.82 -1.00 0.00 0.00 179.01 180.25 3bdm h ILE 229 N -0.41 1.21 -0.69 3.13 2.04 -0.97 -2.05 117.51 119.77 3bdm h ILE 229 Ca -0.07 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3bdm h ILE 229 Cb 1.29 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3bdm h ILE 229 CO 0.10 0.24 0.41 0.50 0.00 0.00 0.00 178.15 179.40 3bdm h LYS 230 N 0.93 0.95 0.46 2.37 3.64 -1.32 -0.22 116.57 123.37 3bdm h LYS 230 Ca 0.23 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3bdm h LYS 230 Cb 0.08 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3bdm h LYS 230 CO -0.03 0.68 -0.22 -0.44 -2.27 0.00 0.00 179.45 177.17 3bdm h ASP 231 N 0.95 -0.52 -1.10 4.20 3.45 -1.09 -2.69 116.42 119.62 3bdm h ASP 231 Ca 0.25 0.02 0.32 0.00 0.43 0.00 0.00 57.03 58.04 3bdm h ASP 231 Cb -0.02 0.14 -0.05 0.00 -0.56 0.00 0.00 39.33 38.84 3bdm h ASP 231 CO -0.05 -0.30 0.79 -0.29 -1.57 0.00 0.00 179.24 177.82 3bdm h ILE 232 N -0.76 0.45 -0.33 0.35 6.09 -1.38 0.15 117.51 122.08 3bdm h ILE 232 Ca -0.06 -0.01 -0.06 0.00 -1.37 0.00 0.00 64.86 63.36 3bdm h ILE 232 Cb 0.47 0.43 -0.01 0.00 0.47 0.00 0.00 36.82 38.18 3bdm h ILE 232 CO 0.10 0.00 -0.01 0.25 -3.07 0.00 0.00 178.15 175.43 3bdm h LEU 233 N 0.02 0.57 -0.53 2.19 5.85 -0.89 -1.56 115.31 120.96 3bdm h LEU 233 Ca 0.53 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3bdm h LEU 233 Cb 2.07 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.93 3bdm h LEU 233 CO -0.02 0.75 0.10 0.58 -0.34 0.00 0.00 178.44 179.51 3bdm h VAL 234 N 0.38 1.25 0.03 1.05 2.07 -0.41 -2.09 116.25 118.54 3bdm h VAL 234 Ca 0.09 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3bdm h VAL 234 Cb 0.47 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3bdm h VAL 234 CO 0.02 0.34 -0.01 0.11 0.02 0.00 0.00 177.57 178.04 3bdm h LYS 235 N 0.76 -0.04 0.00 1.57 1.79 -1.21 -1.96 116.57 117.48 3bdm h LYS 235 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3bdm h LYS 235 Cb 0.39 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3bdm h LYS 235 CO 0.01 0.11 0.00 0.25 -1.08 0.00 0.00 179.45 178.74 3bdm n THR 236 N -5.04 0.31 -2.09 -0.16 -2.24 -0.60 -4.77 114.28 99.69 3bdm n THR 236 Ca -0.08 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3bdm n THR 236 Cb 0.11 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 3bdm n THR 236 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bdm n GLY 237 N -0.88 0.62 0.00 3.38 0.00 -0.74 -4.95 105.19 102.61 3bdm n GLY 237 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3bdm n GLY 237 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3bdm n ILE 238 N -1.45 0.00 -0.03 -0.61 5.41 -0.81 -5.05 119.36 116.81 3bdm n ILE 238 Ca 0.00 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.48 3bdm n ILE 238 Cb 0.48 1.18 0.00 0.00 -0.71 0.00 0.00 39.64 40.60 3bdm n ILE 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96