#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abl s TYR 3 N 0.00 2.46 0.56 0.00 -0.85 -1.26 -5.09 117.35 113.17 3abl s TYR 3 Ca 0.00 -0.57 -0.21 0.00 -0.52 0.00 0.00 57.07 55.76 3abl s TYR 3 Cb 0.00 -1.56 -0.05 0.00 0.38 0.00 0.00 41.96 40.74 3abl s TYR 3 CO 0.00 0.53 1.33 -2.30 -1.52 0.00 0.00 175.55 173.58 3abl n PRO 4 N -0.87 1.58 -2.58 -3.49 -0.02 -1.26 -2.57 135.00 125.79 3abl n PRO 4 Ca -0.05 0.59 -0.18 0.00 -2.02 0.00 0.00 63.50 61.83 3abl n PRO 4 Cb 0.65 -2.54 -0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3abl n PRO 4 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3abl n MET 5 N -1.10 -2.48 -2.39 -0.52 2.81 -1.26 -4.95 117.12 107.23 3abl n MET 5 Ca 0.11 0.81 -0.40 0.00 -1.81 0.00 0.00 57.70 56.42 3abl n MET 5 Cb 0.45 -5.49 -0.03 0.00 -0.71 0.00 0.00 33.22 27.44 3abl n MET 5 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3abl s GLN 6 N -5.21 4.43 -0.20 0.03 0.74 -1.06 -4.96 119.66 113.42 3abl s GLN 6 Ca 0.08 1.84 0.10 0.00 0.05 0.00 0.00 55.36 57.43 3abl s GLN 6 Cb -0.04 -3.00 -0.19 0.00 1.10 0.00 0.00 33.01 30.88 3abl s GLN 6 CO 0.09 0.01 -0.06 1.28 -0.55 0.00 0.00 175.29 176.06 3abl n LEU 7 N 0.77 1.33 0.00 3.68 4.77 -1.26 -5.07 117.00 121.22 3abl n LEU 7 Ca 0.01 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3abl n LEU 7 Cb 0.45 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3abl n LEU 7 CO 0.53 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 3abl n GLY 8 N 2.10 7.13 3.77 -0.72 0.00 -1.26 -5.12 105.19 111.09 3abl n GLY 8 Ca -0.35 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.41 3abl n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3abl s PHE 9 N 0.79 2.93 0.23 1.61 0.40 -1.26 -5.00 117.98 117.68 3abl s PHE 9 Ca 0.00 1.55 -0.30 0.00 -0.60 0.00 0.00 56.93 57.58 3abl s PHE 9 Cb 0.00 -3.34 -0.15 0.00 0.51 0.00 0.00 43.02 40.04 3abl s PHE 9 CO 0.00 -1.38 1.13 1.04 0.70 0.00 0.00 175.22 176.71 3abl n GLN 10 N -0.42 1.37 -1.52 0.44 6.02 -1.26 -4.88 117.38 117.14 3abl n GLN 10 Ca 0.07 0.49 -0.45 0.00 -0.01 0.00 0.00 57.00 57.10 3abl n GLN 10 Cb 0.48 -1.95 -0.02 0.00 1.02 0.00 0.00 30.24 29.78 3abl n GLN 10 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3abl n ASP 11 N 1.67 0.24 -4.76 1.08 10.43 -1.26 -4.75 116.55 119.20 3abl n ASP 11 Ca 0.12 1.12 -0.40 0.00 2.57 0.00 0.00 54.79 58.20 3abl n ASP 11 Cb 0.29 -1.17 -0.04 0.00 1.84 0.00 0.00 41.12 42.05 3abl n ASP 11 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3abl s ALA 12 N -1.11 3.44 -0.25 2.24 0.00 -1.26 -4.69 121.76 120.13 3abl s ALA 12 Ca 0.61 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.61 3abl s ALA 12 Cb -0.75 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 18.98 3abl s ALA 12 CO 0.59 -0.33 0.32 2.41 0.00 0.00 0.00 175.76 178.75 3abl n THR 13 N 1.21 0.00 -4.28 0.00 -1.04 0.15 -4.89 114.28 105.43 3abl n THR 13 Ca -0.00 -0.46 -0.17 0.00 -2.04 0.00 0.00 64.05 61.38 3abl n THR 13 Cb 0.44 1.03 -0.10 0.00 -1.82 0.00 0.00 70.33 69.87 3abl n THR 13 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3abl s SER 14 N -0.87 2.13 0.21 8.00 1.04 -1.25 -1.89 113.70 121.08 3abl s SER 14 Ca 0.02 -0.97 -0.09 0.00 0.48 0.00 0.00 55.95 55.39 3abl s SER 14 Cb 0.02 -0.07 0.30 0.00 0.10 0.00 0.00 66.02 66.38 3abl s SER 14 CO 0.09 -0.23 1.71 -0.65 0.98 0.00 0.00 173.24 175.14 3abl h PRO 15 N 2.85 0.28 -0.58 4.02 0.11 -1.95 -1.72 132.00 135.02 3abl h PRO 15 Ca -0.38 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 3abl h PRO 15 Cb 1.20 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3abl h PRO 15 CO 0.60 0.19 0.21 0.82 -0.21 0.00 0.00 178.00 179.61 3abl h ILE 16 N 0.29 1.23 -0.71 4.15 1.08 -1.93 -1.09 117.51 120.54 3abl h ILE 16 Ca 0.32 -0.75 -0.04 0.00 -0.39 0.00 0.00 64.86 63.99 3abl h ILE 16 Cb 0.47 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 3abl h ILE 16 CO -0.39 0.29 0.27 -0.03 -0.69 0.00 0.00 178.15 177.60 3abl h MET 17 N 0.80 1.05 -0.68 2.37 4.05 -1.72 -0.52 114.93 120.29 3abl h MET 17 Ca 0.19 -0.18 0.02 0.00 -0.28 0.00 0.00 59.70 59.45 3abl h MET 17 Cb 0.24 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 30.83 3abl h MET 17 CO -0.01 0.86 0.43 0.93 0.23 0.00 0.00 176.91 179.35 3abl h GLU 18 N 1.02 0.83 -0.66 0.39 5.08 -0.91 -1.34 114.58 118.99 3abl h GLU 18 Ca 0.24 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 3abl h GLU 18 Cb 0.21 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3abl h GLU 18 CO -0.02 0.55 0.41 1.49 -1.00 0.00 0.00 179.01 180.44 3abl h GLU 19 N 0.86 0.78 -0.04 2.33 4.57 -0.14 -2.13 114.58 120.80 3abl h GLU 19 Ca 0.27 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.36 3abl h GLU 19 Cb -0.02 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 3abl h GLU 19 CO -0.09 0.51 -0.15 -0.07 -1.18 0.00 0.00 179.01 178.03 3abl h LEU 20 N 0.80 0.06 -0.23 1.64 3.38 -0.80 -1.01 115.31 119.15 3abl h LEU 20 Ca 0.27 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 3abl h LEU 20 Cb 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3abl h LEU 20 CO -0.11 0.22 -0.03 -0.07 0.09 0.00 0.00 178.44 178.54 3abl h LEU 21 N 0.06 0.42 -0.65 1.67 3.38 -0.59 0.75 115.31 120.35 3abl h LEU 21 Ca 0.01 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 3abl h LEU 21 Cb 0.31 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3abl h LEU 21 CO 0.02 0.67 -0.03 0.45 0.09 0.00 0.00 178.44 179.64 3abl h HIS 22 N 0.17 1.12 0.13 1.13 3.86 -1.16 0.13 115.15 120.53 3abl h HIS 22 Ca 0.06 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 3abl h HIS 22 Cb 0.47 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3abl h HIS 22 CO 0.05 1.00 -0.06 0.35 0.86 0.00 0.00 177.93 180.12 3abl h PHE 23 N 0.93 -0.16 -0.65 2.45 3.04 -0.93 -1.60 116.94 120.02 3abl h PHE 23 Ca 0.16 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.22 3abl h PHE 23 Cb 0.58 0.05 -0.08 0.00 2.56 0.00 0.00 35.95 39.06 3abl h PHE 23 CO 0.04 0.08 0.22 1.25 -2.02 0.00 0.00 178.31 177.88 3abl h HIS 24 N -0.40 0.37 -0.78 0.41 2.76 0.63 -0.86 115.15 117.27 3abl h HIS 24 Ca -0.02 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.25 3abl h HIS 24 Cb 0.32 -0.06 -0.06 0.00 1.55 0.00 0.00 27.41 29.15 3abl h HIS 24 CO -0.00 0.05 0.46 -0.44 -1.30 0.00 0.00 177.93 176.70 3abl h ASP 25 N 0.37 0.69 0.27 3.26 3.32 -0.28 0.22 116.42 124.28 3abl h ASP 25 Ca 0.34 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 3abl h ASP 25 Cb 0.47 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3abl h ASP 25 CO -0.36 0.43 -0.16 -0.74 -1.72 0.00 0.00 179.24 176.70 3abl h HIS 26 N 0.82 -0.40 -0.56 4.55 -0.00 -0.91 -2.04 115.15 116.61 3abl h HIS 26 Ca 0.35 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.71 3abl h HIS 26 Cb 0.22 0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 3abl h HIS 26 CO -0.06 -0.25 0.33 1.15 -0.00 0.00 0.00 177.93 179.11 3abl h THR 27 N -0.40 1.17 -0.64 6.26 2.02 -0.86 -3.04 112.91 117.41 3abl h THR 27 Ca -0.03 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 3abl h THR 27 Cb 0.33 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 3abl h THR 27 CO 0.04 0.18 0.37 0.25 0.37 0.00 0.00 175.52 176.72 3abl h LEU 28 N 0.75 0.77 -0.20 2.58 5.85 -0.48 -1.91 115.31 122.68 3abl h LEU 28 Ca 0.20 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3abl h LEU 28 Cb -0.00 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3abl h LEU 28 CO -0.04 0.61 0.12 -0.03 -0.34 0.00 0.00 178.44 178.76 3abl h MET 29 N 0.89 0.23 -0.47 1.25 4.05 -1.28 0.14 114.93 119.74 3abl h MET 29 Ca 0.23 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.70 3abl h MET 29 Cb -0.01 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.69 3abl h MET 29 CO -0.04 0.15 0.17 0.82 0.23 0.00 0.00 176.91 178.24 3abl h ILE 30 N 0.24 0.84 -0.06 1.77 2.04 -1.33 0.13 117.51 121.14 3abl h ILE 30 Ca 0.07 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.83 3abl h ILE 30 Cb -0.01 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3abl h ILE 30 CO -0.03 0.06 0.01 0.58 0.00 0.00 0.00 178.15 178.77 3abl h VAL 31 N 0.34 0.97 0.15 1.67 2.07 -1.11 0.07 116.25 120.40 3abl h VAL 31 Ca 0.23 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.75 3abl h VAL 31 Cb 0.23 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3abl h VAL 31 CO -0.23 0.01 -0.32 -0.26 0.02 0.00 0.00 177.57 176.78 3abl h PHE 32 N 0.03 -0.87 -0.61 1.57 0.05 -0.55 -0.42 116.94 116.15 3abl h PHE 32 Ca 0.03 0.02 0.11 0.00 3.82 0.00 0.00 57.97 61.94 3abl h PHE 32 Cb 0.03 0.36 -0.08 0.00 2.00 0.00 0.00 35.95 38.26 3abl h PHE 32 CO -0.11 -0.43 0.18 1.25 -0.18 0.00 0.00 178.31 179.02 3abl h LEU 33 N -0.56 0.10 -0.11 1.54 5.85 -0.50 -0.84 115.31 120.79 3abl h LEU 33 Ca 0.02 0.10 -0.20 0.00 0.84 0.00 0.00 57.88 58.64 3abl h LEU 33 Cb 0.58 0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.73 3abl h LEU 33 CO -0.17 0.06 -0.70 0.40 -0.34 0.00 0.00 178.44 177.69 3abl h ILE 34 N 0.32 1.32 -0.46 4.05 2.04 -0.91 -0.29 117.51 123.58 3abl h ILE 34 Ca 0.32 -1.96 -0.06 0.00 1.00 0.00 0.00 64.86 64.16 3abl h ILE 34 Cb 0.44 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 3abl h ILE 34 CO -0.36 0.61 0.05 0.28 0.00 0.00 0.00 178.15 178.73 3abl h SER 35 N 0.33 0.76 -0.41 1.72 0.02 -1.02 -1.61 113.55 113.34 3abl h SER 35 Ca -0.06 -0.27 -0.14 0.00 -0.84 0.00 0.00 61.79 60.48 3abl h SER 35 Cb 1.35 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 3abl h SER 35 CO 0.14 0.84 -0.29 0.77 -1.14 0.00 0.00 176.83 177.16 3abl h SER 36 N 0.65 0.98 -0.51 3.07 4.64 -1.13 -0.68 113.55 120.56 3abl h SER 36 Ca 0.14 -0.40 0.08 0.00 -0.47 0.00 0.00 61.79 61.13 3abl h SER 36 Cb 0.42 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.17 3abl h SER 36 CO 0.01 1.19 0.16 0.25 -0.87 0.00 0.00 176.83 177.57 3abl h LEU 37 N 0.80 0.13 -0.51 5.97 5.85 -0.97 0.70 115.31 127.28 3abl h LEU 37 Ca 0.09 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3abl h LEU 37 Cb 0.86 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3abl h LEU 37 CO 0.08 0.09 0.20 0.58 -0.34 0.00 0.00 178.44 179.05 3abl h VAL 38 N 0.32 1.21 -0.62 1.05 2.07 -0.99 0.34 116.25 119.64 3abl h VAL 38 Ca 0.25 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3abl h VAL 38 Cb 0.30 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3abl h VAL 38 CO -0.28 0.25 0.27 0.25 0.02 0.00 0.00 177.57 178.08 3abl h LEU 39 N 0.68 0.81 -0.19 2.57 5.85 -0.73 -1.40 115.31 122.91 3abl h LEU 39 Ca 0.17 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 3abl h LEU 39 Cb 0.20 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.02 3abl h LEU 39 CO -0.01 0.71 -0.35 0.22 -0.34 0.00 0.00 178.44 178.67 3abl h TYR 40 N 0.88 0.71 -0.73 1.25 3.20 -0.54 -2.34 116.97 119.42 3abl h TYR 40 Ca 0.21 -0.26 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 3abl h TYR 40 Cb 0.14 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3abl h TYR 40 CO 0.01 0.99 0.33 0.82 -1.64 0.00 0.00 178.16 178.67 3abl h ILE 41 N 0.23 1.24 -0.43 1.81 2.04 -0.84 -0.96 117.51 120.59 3abl h ILE 41 Ca 0.01 -0.69 0.06 0.00 1.00 0.00 0.00 64.86 65.23 3abl h ILE 41 Cb 0.95 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 3abl h ILE 41 CO 0.08 0.29 0.13 0.40 0.00 0.00 0.00 178.15 179.05 3abl h ILE 42 N 1.04 0.83 -0.67 -0.67 2.04 -1.15 0.16 117.51 119.09 3abl h ILE 42 Ca 0.25 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 3abl h ILE 42 Cb 0.14 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3abl h ILE 42 CO -0.03 0.05 0.19 0.77 0.00 0.00 0.00 178.15 179.14 3abl h SER 43 N 0.29 0.99 0.24 1.72 4.64 -0.85 -2.68 113.55 117.90 3abl h SER 43 Ca 0.21 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3abl h SER 43 Cb 0.22 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 3abl h SER 43 CO -0.23 0.95 -0.30 0.25 -0.87 0.00 0.00 176.83 176.63 3abl h LEU 44 N 0.98 -0.81 -1.98 5.97 5.85 -0.77 -2.19 115.31 122.36 3abl h LEU 44 Ca 0.21 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.13 3abl h LEU 44 Cb 0.32 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3abl h LEU 44 CO -0.00 -0.41 0.44 0.24 -0.34 0.00 0.00 178.44 178.36 3abl h MET 45 N -0.59 0.00 -0.01 1.25 2.86 -0.44 -2.71 114.93 115.29 3abl h MET 45 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3abl h MET 45 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3abl h MET 45 CO -0.10 0.00 -0.42 1.28 1.06 0.00 0.00 176.91 178.74 3abl n LEU 46 N -3.73 1.70 -1.13 1.22 4.77 -0.93 -4.57 117.00 114.32 3abl n LEU 46 Ca 0.07 -0.74 -0.03 0.00 -0.03 0.00 0.00 56.01 55.27 3abl n LEU 46 Cb 0.61 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.91 3abl n LEU 46 CO 0.28 0.33 0.68 0.35 -1.33 0.00 0.00 177.39 177.69 3abl n THR 47 N -0.19 2.53 -4.12 -5.08 -2.24 -0.87 -4.99 114.28 99.33 3abl n THR 47 Ca 0.07 -2.73 -0.15 0.00 -2.27 0.00 0.00 64.05 58.98 3abl n THR 47 Cb 0.38 -0.31 -0.13 0.00 -2.10 0.00 0.00 70.33 68.16 3abl n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3abl s THR 48 N -3.23 0.49 -1.25 4.28 -1.32 -1.26 -5.00 115.64 108.35 3abl s THR 48 Ca 0.44 -0.63 0.28 0.00 -1.21 0.00 0.00 61.69 60.57 3abl s THR 48 Cb 0.40 -0.48 0.38 0.00 -1.51 0.00 0.00 72.50 71.29 3abl s THR 48 CO -0.00 -0.11 1.93 0.29 -2.21 0.00 0.00 174.62 174.52 3abl n LYS 49 N 2.25 0.23 -2.53 7.08 4.76 -1.26 -4.88 118.16 123.81 3abl n LYS 49 Ca -0.17 0.02 -0.33 0.00 -2.87 0.00 0.00 58.31 54.96 3abl n LYS 49 Cb 0.56 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.22 3abl n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3abl s LEU 50 N -2.75 3.80 0.03 -0.35 1.43 -1.26 -5.03 118.68 114.55 3abl s LEU 50 Ca 0.21 1.82 -0.04 0.00 -1.03 0.00 0.00 54.13 55.10 3abl s LEU 50 Cb 0.18 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 3abl s LEU 50 CO 0.46 -0.71 0.05 0.42 0.23 0.00 0.00 176.35 176.80 3abl s THR 51 N -2.15 0.14 -0.30 5.49 -4.23 -1.26 -5.11 115.64 108.22 3abl s THR 51 Ca 0.65 -1.16 0.05 0.00 -1.18 0.00 0.00 61.69 60.05 3abl s THR 51 Cb -0.14 -0.84 0.19 0.00 1.34 0.00 0.00 72.50 73.05 3abl s THR 51 CO 0.22 -0.64 0.55 -2.28 -0.54 0.00 0.00 174.62 171.93 3abl s HIS 52 N -2.53 -1.65 0.00 3.99 5.04 -1.26 -5.05 115.29 113.83 3abl s HIS 52 Ca -0.06 0.85 0.00 0.00 -1.54 0.00 0.00 55.06 54.31 3abl s HIS 52 Cb -0.02 0.20 0.00 0.00 0.04 0.00 0.00 32.58 32.80 3abl s HIS 52 CO -0.04 -1.07 0.27 0.25 -2.34 0.00 0.00 174.74 171.80 3abl n THR 53 N 5.35 0.00 -1.28 0.89 -2.24 -1.26 -5.01 114.28 110.73 3abl n THR 53 Ca 0.04 -0.48 -0.29 0.00 -2.27 0.00 0.00 64.05 61.05 3abl n THR 53 Cb 0.53 1.02 0.20 0.00 -2.10 0.00 0.00 70.33 69.98 3abl n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3abl s SER 54 N -0.43 1.98 0.25 3.42 1.04 -1.26 -4.97 113.70 113.72 3abl s SER 54 Ca 0.00 0.77 -0.31 0.00 0.48 0.00 0.00 55.95 56.89 3abl s SER 54 Cb 0.00 -1.15 -0.13 0.00 0.10 0.00 0.00 66.02 64.85 3abl s SER 54 CO 0.00 -3.48 1.51 0.41 0.98 0.00 0.00 173.24 172.66 3abl n THR 55 N -4.35 0.82 -4.86 2.02 -1.04 -1.26 -5.02 114.28 100.59 3abl n THR 55 Ca 0.10 -0.20 -0.33 0.00 -2.04 0.00 0.00 64.05 61.58 3abl n THR 55 Cb 0.59 -1.68 -0.14 0.00 -1.82 0.00 0.00 70.33 67.28 3abl n THR 55 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3abl s MET 56 N -0.21 2.93 -0.06 -2.82 1.00 -1.26 -5.10 119.30 113.77 3abl s MET 56 Ca 0.68 -0.70 -0.30 0.00 0.00 0.00 0.00 55.69 55.37 3abl s MET 56 Cb -0.59 -2.48 -0.02 0.00 0.00 0.00 0.00 34.83 31.74 3abl s MET 56 CO 0.47 0.41 1.01 0.34 0.00 0.00 0.00 175.02 177.26 3abl s ASP 57 N -0.18 7.28 0.03 3.03 2.15 -1.26 -4.95 116.67 122.76 3abl s ASP 57 Ca -0.00 1.61 0.22 0.00 0.43 0.00 0.00 52.55 54.81 3abl s ASP 57 Cb -0.13 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 39.89 3abl s ASP 57 CO 0.03 -0.38 0.96 0.00 -0.17 0.00 0.00 175.17 175.61 3abl n ALA 58 N 4.57 3.67 0.90 3.66 0.00 -1.26 -4.61 120.51 127.44 3abl n ALA 58 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3abl n ALA 58 Cb 0.49 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3abl n ALA 58 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3abl n GLN 59 N -1.85 0.84 0.00 0.00 -0.06 -1.26 -1.77 117.38 113.28 3abl n GLN 59 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 3abl n GLN 59 Cb 0.42 -1.40 0.00 0.00 -4.06 0.00 0.00 30.24 25.20 3abl n GLN 59 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 3abl n GLU 60 N 0.04 0.00 0.16 3.69 -0.00 -1.26 -4.77 120.64 118.49 3abl n GLU 60 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.19 3abl n GLU 60 Cb 0.20 -0.55 0.18 0.00 -0.00 0.00 0.00 31.44 31.27 3abl n GLU 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 3abl h VAL 61 N 0.00 1.02 0.00 3.84 3.04 -1.81 -3.03 116.25 119.30 3abl h VAL 61 Ca 0.00 -1.99 -0.05 0.00 -1.01 0.00 0.00 66.70 63.65 3abl h VAL 61 Cb 0.66 2.20 -0.01 0.00 -2.01 0.00 0.00 31.29 32.13 3abl h VAL 61 CO 0.00 0.49 -0.23 -0.33 -1.01 0.00 0.00 177.57 176.49 3abl h GLU 62 N 0.00 0.00 0.02 4.17 5.08 -1.65 -1.82 114.58 120.38 3abl h GLU 62 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3abl h GLU 62 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3abl h GLU 62 CO 0.07 0.23 -0.01 1.15 -1.00 0.00 0.00 179.01 179.45 3abl h THR 63 N 0.00 0.99 -0.19 1.13 2.02 -1.82 -2.63 112.91 112.42 3abl h THR 63 Ca -0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 3abl h THR 63 Cb 0.47 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3abl h THR 63 CO 0.03 0.01 0.11 0.40 0.37 0.00 0.00 175.52 176.44 3abl h ILE 64 N -0.05 1.09 -0.03 3.11 2.04 -1.53 -0.61 117.51 121.53 3abl h ILE 64 Ca -0.00 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3abl h ILE 64 Cb 0.04 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3abl h ILE 64 CO 0.00 0.08 0.00 -2.67 0.00 0.00 0.00 178.15 175.57 3abl n TRP 65 N -4.92 0.06 -0.04 1.37 2.14 -0.74 -2.00 117.44 113.32 3abl n TRP 65 Ca -0.04 -0.03 -0.08 0.00 2.07 0.00 0.00 57.50 59.43 3abl n TRP 65 Cb 0.06 -0.04 -0.03 0.00 -0.81 0.00 0.00 31.31 30.50 3abl n TRP 65 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 3abl n THR 66 N -0.27 0.52 -0.24 -1.67 -1.04 -0.80 -4.57 114.28 106.21 3abl n THR 66 Ca 0.01 -0.07 -0.06 0.00 -2.04 0.00 0.00 64.05 61.89 3abl n THR 66 Cb 0.11 -1.63 0.04 0.00 -1.82 0.00 0.00 70.33 67.03 3abl n THR 66 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3abl h ILE 67 N -0.29 1.21 0.46 12.58 1.08 -1.13 -1.12 117.51 130.30 3abl h ILE 67 Ca -0.19 -0.54 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 3abl h ILE 67 Cb 1.10 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 3abl h ILE 67 CO -0.11 0.23 -0.24 -0.07 -0.69 0.00 0.00 178.15 177.27 3abl h LEU 68 N 0.90 -0.58 -0.71 1.44 4.07 -1.62 -0.26 115.31 118.55 3abl h LEU 68 Ca 0.23 0.03 0.05 0.00 0.08 0.00 0.00 57.88 58.26 3abl h LEU 68 Cb 0.06 0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.90 3abl h LEU 68 CO -0.04 -0.40 0.42 -0.65 -1.08 0.00 0.00 178.44 176.70 3abl h PRO 69 N -0.65 0.78 -0.33 1.13 0.11 -1.77 -0.51 132.00 130.77 3abl h PRO 69 Ca -0.06 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.05 3abl h PRO 69 Cb 0.51 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 3abl h PRO 69 CO 0.09 0.52 0.08 0.00 -0.21 0.00 0.00 178.00 178.47 3abl h ALA 70 N 1.33 0.35 -0.80 -0.75 0.00 -0.91 0.56 119.26 119.05 3abl h ALA 70 Ca 0.30 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.30 3abl h ALA 70 Cb 0.10 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3abl h ALA 70 CO -0.14 -0.33 0.51 0.82 0.00 0.00 0.00 179.25 180.10 3abl h ILE 71 N 0.20 1.11 -0.42 0.00 2.04 -0.22 -1.86 117.51 118.36 3abl h ILE 71 Ca 0.15 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3abl h ILE 71 Cb 0.16 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 3abl h ILE 71 CO -0.19 0.18 0.20 0.40 0.00 0.00 0.00 178.15 178.74 3abl h ILE 72 N 0.98 1.18 -0.74 -0.67 2.04 -0.36 -0.95 117.51 118.99 3abl h ILE 72 Ca 0.32 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.74 3abl h ILE 72 Cb 0.03 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 3abl h ILE 72 CO -0.12 0.19 0.49 -0.07 0.00 0.00 0.00 178.15 178.64 3abl h LEU 73 N 0.54 0.67 -0.26 1.44 3.38 -0.58 -1.63 115.31 118.87 3abl h LEU 73 Ca 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.91 3abl h LEU 73 Cb 0.12 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3abl h LEU 73 CO -0.02 0.43 -0.87 0.40 0.09 0.00 0.00 178.44 178.47 3abl h ILE 74 N 0.76 1.42 0.00 1.22 2.04 -0.44 0.25 117.51 122.75 3abl h ILE 74 Ca 0.32 -2.41 -0.01 0.00 1.00 0.00 0.00 64.86 63.76 3abl h ILE 74 Cb 0.27 2.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.71 3abl h ILE 74 CO -0.11 0.72 -0.06 -0.07 0.00 0.00 0.00 178.15 178.63 3abl h LEU 75 N 0.21 0.00 0.06 1.44 4.07 -0.47 -0.82 115.31 119.81 3abl h LEU 75 Ca -0.06 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.72 3abl h LEU 75 Cb 1.49 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.23 3abl h LEU 75 CO 0.15 0.06 -0.93 0.40 -1.08 0.00 0.00 178.44 177.03 3abl h ILE 76 N 0.00 1.27 -0.61 1.22 2.04 -0.41 -3.40 117.51 117.62 3abl h ILE 76 Ca -0.00 -2.36 0.06 0.00 1.00 0.00 0.00 64.86 63.56 3abl h ILE 76 Cb 0.33 2.85 -0.05 0.00 -0.74 0.00 0.00 36.82 39.21 3abl h ILE 76 CO 0.01 0.60 0.32 0.00 0.00 0.00 0.00 178.15 179.08 3abl h ALA 77 N -0.11 0.81 0.27 1.87 0.00 -0.16 -2.30 119.26 119.63 3abl h ALA 77 Ca -0.21 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3abl h ALA 77 Cb 1.45 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3abl h ALA 77 CO -0.00 -0.01 -0.46 -0.07 0.00 0.00 0.00 179.25 178.70 3abl h LEU 78 N 0.61 -1.34 -1.25 0.00 4.07 -1.37 0.16 115.31 116.18 3abl h LEU 78 Ca 0.27 0.13 -0.08 0.00 0.08 0.00 0.00 57.88 58.28 3abl h LEU 78 Cb 0.18 0.47 -0.01 0.00 1.08 0.00 0.00 40.66 42.38 3abl h LEU 78 CO -0.18 -0.55 -0.37 1.55 -1.08 0.00 0.00 178.44 177.81 3abl h PRO 79 N -0.78 0.00 -0.73 1.13 0.13 -1.75 -1.77 132.00 128.24 3abl h PRO 79 Ca -0.03 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 3abl h PRO 79 Cb 0.73 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.83 3abl h PRO 79 CO -0.16 0.37 0.29 1.03 -0.23 0.00 0.00 178.00 179.30 3abl h SER 80 N 0.00 1.00 0.51 1.44 0.87 -0.91 -2.54 113.55 113.92 3abl h SER 80 Ca -0.00 -0.17 -0.30 0.00 -1.23 0.00 0.00 61.79 60.09 3abl h SER 80 Cb 0.67 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3abl h SER 80 CO 0.05 0.90 -1.37 -0.07 -0.53 0.00 0.00 176.83 175.81 3abl h LEU 81 N 1.04 0.49 -0.52 2.23 3.38 -0.57 -1.86 115.31 119.50 3abl h LEU 81 Ca 0.24 -0.56 0.10 0.00 0.09 0.00 0.00 57.88 57.75 3abl h LEU 81 Cb 0.21 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 3abl h LEU 81 CO -0.02 1.45 -0.03 -0.09 0.09 0.00 0.00 178.44 179.84 3abl h ARG 82 N 0.09 0.08 -0.53 1.13 2.43 -1.12 -1.64 114.38 114.83 3abl h ARG 82 Ca -0.19 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 3abl h ARG 82 Cb 2.02 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.53 3abl h ARG 82 CO 0.20 0.06 0.27 0.82 -1.51 0.00 0.00 179.97 179.81 3abl h ILE 83 N 0.09 1.19 -0.41 1.20 2.04 -1.43 -0.80 117.51 119.38 3abl h ILE 83 Ca 0.26 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.71 3abl h ILE 83 Cb 0.41 0.55 -0.09 0.00 -0.74 0.00 0.00 36.82 36.95 3abl h ILE 83 CO -0.46 0.20 -0.20 0.25 0.00 0.00 0.00 178.15 177.94 3abl h LEU 84 N 0.70 -0.70 -0.24 1.44 5.85 -0.85 0.55 115.31 122.07 3abl h LEU 84 Ca 0.18 0.16 -0.21 0.00 0.84 0.00 0.00 57.88 58.85 3abl h LEU 84 Cb 0.08 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3abl h LEU 84 CO -0.03 -0.23 -0.80 1.88 -0.34 0.00 0.00 178.44 178.91 3abl h TYR 85 N -0.13 0.81 -0.65 1.25 -1.99 -1.21 -2.84 116.97 112.22 3abl h TYR 85 Ca 0.20 -0.38 0.12 0.00 2.00 0.00 0.00 58.73 60.67 3abl h TYR 85 Cb 0.44 -0.12 -0.09 0.00 2.00 0.00 0.00 36.73 38.96 3abl h TYR 85 CO -0.45 1.18 0.19 0.52 -0.00 0.00 0.00 178.16 179.61 3abl h MET 86 N 0.39 0.33 -0.14 4.88 2.86 -0.84 0.25 114.93 122.66 3abl h MET 86 Ca -0.05 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3abl h MET 86 Cb 1.42 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 3abl h MET 86 CO 0.15 0.22 0.12 0.52 1.06 0.00 0.00 176.91 178.98 3abl h MET 87 N 0.34 0.00 0.00 1.72 2.86 -0.67 -2.09 114.93 117.08 3abl h MET 87 Ca 0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 3abl h MET 87 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3abl h MET 87 CO -0.39 0.00 -0.46 -3.47 1.06 0.00 0.00 176.91 173.65 3abl n ASP 88 N -4.22 0.51 -4.74 1.22 -0.08 0.82 -4.93 116.55 105.12 3abl n ASP 88 Ca 0.00 -0.01 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 3abl n ASP 88 Cb 0.24 0.10 -0.01 0.00 2.34 0.00 0.00 41.12 43.79 3abl n ASP 88 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3abl n GLU 89 N -1.72 2.48 -1.69 -0.67 1.02 -0.79 -4.92 120.64 114.35 3abl n GLU 89 Ca 0.05 0.87 -0.51 0.00 -0.02 0.00 0.00 57.16 57.55 3abl n GLU 89 Cb 0.37 -2.56 -0.06 0.00 -0.02 0.00 0.00 31.44 29.18 3abl n GLU 89 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3abl n ILE 90 N 0.67 0.46 0.29 -3.67 5.41 -1.26 -4.92 119.36 116.34 3abl n ILE 90 Ca 0.04 -0.08 0.03 0.00 1.00 0.00 0.00 62.75 63.73 3abl n ILE 90 Cb 0.37 -1.63 -0.02 0.00 -0.71 0.00 0.00 39.64 37.65 3abl n ILE 90 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3abl n ASN 91 N 6.04 0.48 -3.02 4.38 6.94 -1.26 -5.10 115.26 123.72 3abl n ASN 91 Ca 0.24 -0.74 -0.01 0.00 -0.02 0.00 0.00 54.58 54.05 3abl n ASN 91 Cb 0.24 0.85 -0.01 0.00 -2.36 0.00 0.00 39.78 38.50 3abl n ASN 91 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3abl n ASN 92 N -0.91 -6.35 -4.81 0.53 3.02 -1.26 -5.02 115.26 100.46 3abl n ASN 92 Ca 0.02 0.87 -0.33 0.00 -0.03 0.00 0.00 54.58 55.10 3abl n ASN 92 Cb 0.11 -2.48 -0.03 0.00 -0.61 0.00 0.00 39.78 36.77 3abl n ASN 92 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3abl s PRO 93 N -0.63 3.75 0.03 3.52 0.04 -1.26 -4.87 135.00 135.59 3abl s PRO 93 Ca -0.04 1.25 0.22 0.00 0.04 0.00 0.00 61.00 62.47 3abl s PRO 93 Cb 0.00 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 3abl s PRO 93 CO 0.20 -0.46 0.90 0.43 0.04 0.00 0.00 177.00 178.11 3abl n SER 94 N -1.26 0.56 -3.76 6.66 7.64 -0.83 -4.97 113.62 117.67 3abl n SER 94 Ca 0.09 -0.26 -0.12 0.00 1.01 0.00 0.00 58.87 59.58 3abl n SER 94 Cb 0.53 1.05 -0.12 0.00 -1.01 0.00 0.00 64.21 64.66 3abl n SER 94 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3abl s LEU 95 N -3.97 0.70 -0.07 -3.43 2.96 -1.26 -5.09 118.68 108.51 3abl s LEU 95 Ca 0.02 0.57 0.05 0.00 -0.22 0.00 0.00 54.13 54.55 3abl s LEU 95 Cb 0.14 0.90 -0.01 0.00 0.50 0.00 0.00 46.19 47.72 3abl s LEU 95 CO 0.83 -0.13 -0.24 -0.89 -1.32 0.00 0.00 176.35 174.61 3abl s THR 96 N 0.61 2.13 0.04 3.68 2.01 -1.26 -1.43 115.64 121.42 3abl s THR 96 Ca -0.04 -1.02 0.07 0.00 0.31 0.00 0.00 61.69 61.00 3abl s THR 96 Cb -0.05 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 3abl s THR 96 CO -0.04 0.57 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.58 3abl s VAL 97 N 0.00 1.56 0.07 3.82 1.01 -0.37 -4.32 120.40 122.17 3abl s VAL 97 Ca -0.08 -1.12 0.07 0.00 0.00 0.00 0.00 61.98 60.84 3abl s VAL 97 Cb -0.15 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3abl s VAL 97 CO 0.05 0.20 -0.14 -0.54 0.00 0.00 0.00 175.10 174.68 3abl s LYS 98 N -1.09 2.12 0.12 2.72 1.02 0.18 -0.77 119.74 124.03 3abl s LYS 98 Ca 0.06 -0.99 0.10 0.00 0.02 0.00 0.00 55.97 55.17 3abl s LYS 98 Cb -0.08 -2.27 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 3abl s LYS 98 CO 0.01 0.53 -0.25 -0.08 -0.92 0.00 0.00 175.35 174.64 3abl s THR 99 N -1.07 2.10 -0.10 2.17 -1.32 0.25 -0.84 115.64 116.84 3abl s THR 99 Ca 0.18 -1.67 0.02 0.00 -1.21 0.00 0.00 61.69 59.01 3abl s THR 99 Cb -0.11 -1.87 0.01 0.00 -1.51 0.00 0.00 72.50 69.03 3abl s THR 99 CO 0.09 0.07 -0.14 -0.04 -2.21 0.00 0.00 174.62 172.40 3abl s MET 100 N -1.95 2.02 0.28 7.08 -1.94 0.12 -2.27 119.30 122.64 3abl s MET 100 Ca 0.12 -0.49 -0.26 0.00 -1.71 0.00 0.00 55.69 53.34 3abl s MET 100 Cb -0.10 -1.72 -0.09 0.00 2.01 0.00 0.00 34.83 34.92 3abl s MET 100 CO 0.05 -0.05 0.91 0.20 -0.01 0.00 0.00 175.02 176.12 3abl s GLY 101 N 0.95 2.88 0.06 -0.03 0.00 0.21 -0.65 107.32 110.73 3abl s GLY 101 Ca -0.08 0.50 -0.01 0.00 0.00 0.00 0.00 44.72 45.13 3abl s GLY 101 CO -0.00 0.98 -0.01 0.30 0.00 0.00 0.00 173.10 174.36 3abl s HIS 102 N -1.45 0.54 -0.63 1.90 3.76 0.18 -1.49 115.29 118.09 3abl s HIS 102 Ca 0.46 -1.07 -0.27 0.00 -0.15 0.00 0.00 55.06 54.04 3abl s HIS 102 Cb -0.21 -0.39 0.04 0.00 1.11 0.00 0.00 32.58 33.13 3abl s HIS 102 CO 0.26 -0.40 1.15 -0.65 -0.85 0.00 0.00 174.74 174.25 3abl s GLN 103 N -3.93 3.34 -0.37 1.40 -0.21 -1.26 -0.26 119.66 118.37 3abl s GLN 103 Ca 0.09 -0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.36 3abl s GLN 103 Cb 0.08 -4.10 0.12 0.00 1.00 0.00 0.00 33.01 30.12 3abl s GLN 103 CO -0.09 -1.81 0.19 -1.58 -2.12 0.00 0.00 175.29 169.88 3abl s TRP 104 N 4.93 1.44 -0.15 0.91 0.51 -1.26 -5.13 118.94 120.20 3abl s TRP 104 Ca 0.36 -1.91 -0.34 0.00 -2.12 0.00 0.00 56.10 52.08 3abl s TRP 104 Cb -0.09 -1.51 0.14 0.00 -0.81 0.00 0.00 33.47 31.20 3abl s TRP 104 CO 0.19 -0.82 1.36 1.52 -0.51 0.00 0.00 176.95 178.69 3abl s TYR 105 N 1.01 -0.03 -0.06 -1.98 1.13 0.64 -4.71 117.35 113.36 3abl s TYR 105 Ca 0.15 -0.00 0.02 0.00 -1.41 0.00 0.00 57.07 55.83 3abl s TYR 105 Cb -0.22 0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 41.13 3abl s TYR 105 CO -0.09 -0.10 -0.11 -1.58 -2.51 0.00 0.00 175.55 171.17 3abl s TRP 106 N -2.17 2.82 0.02 -3.49 0.52 -1.02 -0.65 118.94 114.97 3abl s TRP 106 Ca 0.13 -0.07 0.04 0.00 0.02 0.00 0.00 56.10 56.22 3abl s TRP 106 Cb 0.03 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.65 3abl s TRP 106 CO -0.05 0.26 -0.06 -1.54 0.02 0.00 0.00 176.95 175.59 3abl s SER 107 N -0.78 4.68 0.24 2.95 1.04 0.17 -0.16 113.70 121.84 3abl s SER 107 Ca 0.12 -0.17 0.11 0.00 0.48 0.00 0.00 55.95 56.49 3abl s SER 107 Cb -0.11 -1.08 -0.05 0.00 0.10 0.00 0.00 66.02 64.88 3abl s SER 107 CO 0.01 0.26 -0.16 -0.31 0.98 0.00 0.00 173.24 174.02 3abl s TYR 108 N -1.06 2.43 -0.12 5.02 2.02 -0.06 -0.70 117.35 124.87 3abl s TYR 108 Ca 0.19 -0.30 -0.05 0.00 -0.37 0.00 0.00 57.07 56.53 3abl s TYR 108 Cb -0.11 -1.12 0.06 0.00 -0.40 0.00 0.00 41.96 40.39 3abl s TYR 108 CO 0.10 0.61 0.27 -1.21 -1.57 0.00 0.00 175.55 173.74 3abl s GLU 109 N -3.19 0.19 -0.37 -0.62 2.02 -0.02 -2.19 118.70 114.53 3abl s GLU 109 Ca 0.27 0.65 0.01 0.00 0.02 0.00 0.00 54.97 55.92 3abl s GLU 109 Cb -0.07 -0.07 0.11 0.00 0.10 0.00 0.00 34.13 34.21 3abl s GLU 109 CO 0.14 -0.22 0.15 0.71 0.02 0.00 0.00 175.26 176.07 3abl s TYR 110 N 1.81 2.07 -0.10 1.61 4.12 -0.03 -0.65 117.35 126.17 3abl s TYR 110 Ca -0.05 -2.17 0.14 0.00 0.02 0.00 0.00 57.07 55.01 3abl s TYR 110 Cb -0.11 -1.94 0.27 0.00 -1.52 0.00 0.00 41.96 38.66 3abl s TYR 110 CO -0.09 -0.85 1.13 0.25 0.02 0.00 0.00 175.55 176.02 3abl n THR 111 N 4.24 1.34 -0.22 -0.71 -2.24 -1.26 -2.77 114.28 112.67 3abl n THR 111 Ca 0.03 -1.85 0.01 0.00 -2.27 0.00 0.00 64.05 59.97 3abl n THR 111 Cb 0.39 0.06 0.12 0.00 -2.10 0.00 0.00 70.33 68.80 3abl n THR 111 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3abl h ASP 112 N 0.33 0.27 0.00 3.42 3.32 -1.94 -3.42 116.42 118.41 3abl h ASP 112 Ca -0.03 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3abl h ASP 112 Cb 1.19 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3abl h ASP 112 CO 0.01 0.15 -0.49 -1.22 -1.72 0.00 0.00 179.24 175.98 3abl n TYR 113 N -4.97 0.00 -4.07 4.55 4.01 -1.26 -5.09 117.16 110.32 3abl n TYR 113 Ca 0.10 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.60 3abl n TYR 113 Cb 0.29 0.17 -0.04 0.00 -0.31 0.00 0.00 39.34 39.44 3abl n TYR 113 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3abl s GLU 114 N -1.83 3.03 -1.04 -0.72 0.41 -1.26 -5.04 118.70 112.24 3abl s GLU 114 Ca 0.00 -0.93 -0.19 0.00 -0.41 0.00 0.00 54.97 53.44 3abl s GLU 114 Cb 0.00 -2.66 0.11 0.00 -1.78 0.00 0.00 34.13 29.80 3abl s GLU 114 CO 0.00 0.44 1.33 -0.51 -0.49 0.00 0.00 175.26 176.03 3abl s ASP 115 N -3.61 6.69 -0.15 -0.19 -0.00 -1.26 -4.07 116.67 114.08 3abl s ASP 115 Ca 0.33 -2.08 -0.05 0.00 -0.00 0.00 0.00 52.55 50.75 3abl s ASP 115 Cb -0.09 -2.47 -0.04 0.00 -0.00 0.00 0.00 42.92 40.33 3abl s ASP 115 CO 0.25 -1.15 0.02 -0.22 -0.00 0.00 0.00 175.17 174.08 3abl s LEU 116 N 3.31 3.63 0.01 1.23 2.96 -1.11 -5.03 118.68 123.68 3abl s LEU 116 Ca 0.40 0.06 -0.28 0.00 -0.22 0.00 0.00 54.13 54.09 3abl s LEU 116 Cb -0.02 -1.88 0.10 0.00 0.50 0.00 0.00 46.19 44.88 3abl s LEU 116 CO -0.06 0.24 0.89 -0.94 -1.32 0.00 0.00 176.35 175.16 3abl s SER 117 N -0.04 -0.35 -0.26 3.68 1.04 -1.26 -0.85 113.70 115.66 3abl s SER 117 Ca 0.04 -0.04 -0.29 0.00 0.48 0.00 0.00 55.95 56.14 3abl s SER 117 Cb -0.13 0.40 0.18 0.00 0.10 0.00 0.00 66.02 66.57 3abl s SER 117 CO 0.02 -0.65 1.29 0.72 0.98 0.00 0.00 173.24 175.60 3abl s PHE 118 N -3.14 -0.11 0.29 5.02 -0.12 -0.93 -5.00 117.98 113.98 3abl s PHE 118 Ca 0.06 0.21 -0.06 0.00 -0.05 0.00 0.00 56.93 57.09 3abl s PHE 118 Cb -0.01 0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 3abl s PHE 118 CO -0.08 -0.10 0.56 -0.51 -0.05 0.00 0.00 175.22 175.05 3abl s ASP 119 N -0.87 6.47 -0.22 1.98 1.01 -1.26 -0.88 116.67 122.89 3abl s ASP 119 Ca 0.06 0.76 -0.03 0.00 0.71 0.00 0.00 52.55 54.05 3abl s ASP 119 Cb -0.01 -2.16 0.07 0.00 1.01 0.00 0.00 42.92 41.82 3abl s ASP 119 CO -0.07 -0.19 0.06 -0.55 0.21 0.00 0.00 175.17 174.62 3abl s SER 120 N -3.08 3.10 0.05 0.27 0.15 0.78 -4.49 113.70 110.47 3abl s SER 120 Ca 0.45 -0.98 0.08 0.00 0.70 0.00 0.00 55.95 56.20 3abl s SER 120 Cb -0.11 -0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 63.59 3abl s SER 120 CO 0.29 -0.34 -0.20 -0.31 1.20 0.00 0.00 173.24 173.88 3abl s TYR 121 N 1.87 2.49 0.31 3.44 2.02 -1.26 -2.45 117.35 123.77 3abl s TYR 121 Ca 0.02 -0.30 -0.30 0.00 -0.37 0.00 0.00 57.07 56.12 3abl s TYR 121 Cb -0.17 -1.43 -0.11 0.00 -0.40 0.00 0.00 41.96 39.85 3abl s TYR 121 CO -0.14 0.23 1.58 1.41 -1.57 0.00 0.00 175.55 177.07 3abl s MET 122 N -1.46 4.11 -0.24 -0.62 -2.45 -1.26 -1.09 119.30 116.29 3abl s MET 122 Ca 0.14 2.60 -0.29 0.00 -1.25 0.00 0.00 55.69 56.89 3abl s MET 122 Cb -0.10 -3.00 -0.01 0.00 1.25 0.00 0.00 34.83 32.96 3abl s MET 122 CO 0.05 -0.63 1.33 0.42 1.05 0.00 0.00 175.02 177.24 3abl s ILE 123 N -0.24 4.13 0.39 10.11 -1.09 0.10 -4.84 121.20 129.76 3abl s ILE 123 Ca 0.61 1.31 -0.27 0.00 -2.23 0.00 0.00 60.65 60.07 3abl s ILE 123 Cb -0.48 -4.03 -0.11 0.00 -1.58 0.00 0.00 42.46 36.26 3abl s ILE 123 CO 0.52 -0.32 1.45 -2.65 -1.23 0.00 0.00 174.94 172.70 3abl n PRO 124 N 7.09 2.50 -0.29 2.79 -0.02 -1.26 -4.59 135.00 141.23 3abl n PRO 124 Ca 0.15 0.88 0.11 0.00 -2.02 0.00 0.00 63.50 62.62 3abl n PRO 124 Cb 0.46 -2.62 0.26 0.00 -0.02 0.00 0.00 33.50 31.58 3abl n PRO 124 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3abl h THR 125 N 2.73 0.38 0.00 3.45 2.02 -1.98 0.35 112.91 119.86 3abl h THR 125 Ca -0.50 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3abl h THR 125 Cb 1.25 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3abl h THR 125 CO 0.63 0.05 0.00 0.77 0.37 0.00 0.00 175.52 177.33 3abl h SER 126 N 0.25 0.00 -0.02 4.18 4.64 -2.03 -2.69 113.55 117.88 3abl h SER 126 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3abl h SER 126 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3abl h SER 126 CO -0.61 0.00 -0.04 -0.62 -0.87 0.00 0.00 176.83 174.69 3abl n GLU 127 N -3.04 1.05 -1.72 4.77 1.02 0.12 -5.00 120.64 117.83 3abl n GLU 127 Ca -0.02 -1.22 -0.42 0.00 -0.02 0.00 0.00 57.16 55.49 3abl n GLU 127 Cb 0.14 -1.25 -0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3abl n GLU 127 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3abl n LEU 128 N 0.62 3.98 -4.92 -4.62 4.77 -0.90 -4.93 117.00 111.00 3abl n LEU 128 Ca 0.08 1.19 -0.26 0.00 -0.03 0.00 0.00 56.01 56.98 3abl n LEU 128 Cb 0.33 -1.52 0.01 0.00 -2.33 0.00 0.00 43.42 39.91 3abl n LEU 128 CO 0.10 -0.37 0.41 -0.54 -1.33 0.00 0.00 177.39 175.66 3abl s LYS 129 N -2.02 3.32 0.16 3.23 1.02 -1.26 -4.96 119.74 119.22 3abl s LYS 129 Ca 0.56 -0.00 -0.33 0.00 0.02 0.00 0.00 55.97 56.22 3abl s LYS 129 Cb -0.53 -2.41 -0.12 0.00 -0.52 0.00 0.00 37.83 34.25 3abl s LYS 129 CO 0.61 -0.30 1.71 -2.30 -0.92 0.00 0.00 175.35 174.15 3abl n PRO 130 N -2.27 2.53 -0.72 -1.68 -0.02 -1.26 -1.26 135.00 130.32 3abl n PRO 130 Ca 0.01 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3abl n PRO 130 Cb 0.56 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 3abl n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3abl n GLY 131 N 3.86 0.83 3.89 -1.23 0.00 -1.26 -5.05 105.19 106.23 3abl n GLY 131 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3abl n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3abl s GLU 132 N -0.28 3.42 -0.27 1.61 2.02 -0.39 -5.02 118.70 119.78 3abl s GLU 132 Ca 0.00 0.39 -0.10 0.00 0.02 0.00 0.00 54.97 55.27 3abl s GLU 132 Cb 0.00 -2.23 -0.05 0.00 0.10 0.00 0.00 34.13 31.96 3abl s GLU 132 CO 0.00 -0.47 0.17 -0.51 0.02 0.00 0.00 175.26 174.47 3abl s LEU 133 N -4.98 3.94 0.00 1.80 1.43 -1.26 -4.91 118.68 114.69 3abl s LEU 133 Ca 0.52 -0.03 -0.35 0.00 -1.03 0.00 0.00 54.13 53.24 3abl s LEU 133 Cb -0.11 -2.09 -0.13 0.00 0.03 0.00 0.00 46.19 43.89 3abl s LEU 133 CO 0.49 -0.04 1.72 -1.14 0.23 0.00 0.00 176.35 177.60 3abl n ARG 134 N 5.01 2.02 -0.38 1.70 0.63 -1.26 -2.15 116.66 122.23 3abl n ARG 134 Ca -0.14 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.52 3abl n ARG 134 Cb 0.52 -2.53 0.00 0.00 0.45 0.00 0.00 32.46 30.90 3abl n ARG 134 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3abl n LEU 135 N 5.07 0.00 -0.02 6.15 4.77 -1.26 -4.83 117.00 126.88 3abl n LEU 135 Ca 0.21 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.16 3abl n LEU 135 Cb 0.27 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3abl n LEU 135 CO 0.69 0.00 -0.64 0.18 -1.33 0.00 0.00 177.39 176.30 3abl n LEU 136 N 0.00 1.27 -4.77 2.23 4.77 -0.91 -4.56 117.00 115.02 3abl n LEU 136 Ca 0.00 -0.01 -0.36 0.00 -0.03 0.00 0.00 56.01 55.61 3abl n LEU 136 Cb 0.00 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3abl n LEU 136 CO 0.00 0.30 0.81 -1.61 -1.33 0.00 0.00 177.39 175.56 3abl s GLU 137 N -2.09 3.57 0.35 3.23 0.41 -1.18 -4.63 118.70 118.35 3abl s GLU 137 Ca -0.04 1.71 0.08 0.00 -0.41 0.00 0.00 54.97 56.31 3abl s GLU 137 Cb 0.01 -2.23 -0.07 0.00 -1.78 0.00 0.00 34.13 30.07 3abl s GLU 137 CO 0.14 -0.69 -0.06 0.14 -0.49 0.00 0.00 175.26 174.30 3abl s VAL 138 N -1.64 2.04 0.03 2.63 -7.23 -1.26 -0.73 120.40 114.24 3abl s VAL 138 Ca 0.68 -2.14 -0.19 0.00 -1.81 0.00 0.00 61.98 58.52 3abl s VAL 138 Cb -0.27 -2.70 -0.19 0.00 0.56 0.00 0.00 36.38 33.78 3abl s VAL 138 CO 0.31 -0.17 1.19 -2.24 -0.31 0.00 0.00 175.10 173.89 3abl h ASP 139 N 2.01 0.55 -3.79 4.85 -0.00 -1.44 -3.42 116.42 115.20 3abl h ASP 139 Ca -0.42 -0.67 -0.67 0.00 -0.00 0.00 0.00 57.03 55.27 3abl h ASP 139 Cb 1.24 -0.16 -0.37 0.00 -0.00 0.00 0.00 39.33 40.04 3abl h ASP 139 CO 0.72 1.14 -0.75 0.20 -0.00 0.00 0.00 179.24 180.55 3abl s ASN 140 N -6.63 4.67 0.74 4.15 0.01 -1.26 -5.03 114.94 111.58 3abl s ASN 140 Ca -0.13 -1.57 -0.12 0.00 -0.71 0.00 0.00 52.86 50.32 3abl s ASN 140 Cb 0.05 -1.62 0.04 0.00 0.41 0.00 0.00 41.25 40.13 3abl s ASN 140 CO 0.81 -0.27 1.10 -0.13 -1.51 0.00 0.00 177.10 177.11 3abl s ARG 141 N 1.09 2.41 -0.78 -0.60 0.52 -1.26 -4.62 118.95 115.70 3abl s ARG 141 Ca -0.03 1.26 -0.19 0.00 -0.52 0.00 0.00 55.73 56.25 3abl s ARG 141 Cb -0.20 -1.91 0.12 0.00 0.52 0.00 0.00 34.95 33.48 3abl s ARG 141 CO -0.05 -1.54 0.96 0.08 0.02 0.00 0.00 175.30 174.77 3abl s VAL 142 N -2.69 4.74 0.09 3.52 1.01 0.74 -4.84 120.40 122.97 3abl s VAL 142 Ca 0.63 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 3abl s VAL 142 Cb -0.19 -4.66 -0.06 0.00 0.00 0.00 0.00 36.38 31.47 3abl s VAL 142 CO 0.51 -1.37 1.06 -0.69 0.00 0.00 0.00 175.10 174.62 3abl s VAL 143 N 2.76 4.31 0.04 2.92 1.01 -1.26 -0.20 120.40 129.97 3abl s VAL 143 Ca 0.24 1.79 -0.11 0.00 0.00 0.00 0.00 61.98 63.91 3abl s VAL 143 Cb -0.12 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.12 3abl s VAL 143 CO -0.01 0.22 0.22 -0.76 0.00 0.00 0.00 175.10 174.76 3abl s LEU 144 N 0.42 1.24 0.17 3.92 1.43 0.14 -4.89 118.68 121.12 3abl s LEU 144 Ca 0.52 -0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 53.02 3abl s LEU 144 Cb -0.26 1.06 -0.08 0.00 0.03 0.00 0.00 46.19 46.94 3abl s LEU 144 CO 0.31 -0.57 0.86 -2.16 0.23 0.00 0.00 176.35 175.02 3abl s PRO 145 N -2.55 4.69 0.63 1.29 0.04 -1.26 -0.30 135.00 137.54 3abl s PRO 145 Ca -0.05 1.31 -0.09 0.00 0.04 0.00 0.00 61.00 62.21 3abl s PRO 145 Cb -0.01 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 3abl s PRO 145 CO -0.04 0.47 0.99 0.00 0.04 0.00 0.00 177.00 178.46 3abl s MET 146 N -0.87 3.12 -1.65 4.56 0.23 -0.31 -4.13 119.30 120.25 3abl s MET 146 Ca 0.40 0.37 0.00 0.00 -1.03 0.00 0.00 55.69 55.42 3abl s MET 146 Cb -0.24 -2.15 0.00 0.00 -1.53 0.00 0.00 34.83 30.91 3abl s MET 146 CO 0.29 -0.74 0.00 0.39 -2.03 0.00 0.00 175.02 172.93 3abl n GLU 147 N -2.74 -1.74 -4.11 3.16 1.02 0.39 -4.72 120.64 111.90 3abl n GLU 147 Ca 0.05 0.93 -0.14 0.00 -0.02 0.00 0.00 57.16 57.98 3abl n GLU 147 Cb 0.56 -5.50 -0.13 0.00 -0.02 0.00 0.00 31.44 26.36 3abl n GLU 147 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3abl s MET 148 N -4.66 0.49 -0.30 3.49 -1.94 -1.26 -5.01 119.30 110.11 3abl s MET 148 Ca 0.00 -0.51 -0.29 0.00 -1.71 0.00 0.00 55.69 53.18 3abl s MET 148 Cb 0.00 -0.35 -0.00 0.00 2.01 0.00 0.00 34.83 36.49 3abl s MET 148 CO 0.00 0.08 1.34 0.99 -0.01 0.00 0.00 175.02 177.42 3abl s THR 149 N -0.84 4.08 -0.11 2.05 2.01 -1.26 -4.33 115.64 117.24 3abl s THR 149 Ca -0.05 1.21 0.01 0.00 0.31 0.00 0.00 61.69 63.17 3abl s THR 149 Cb -0.07 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 3abl s THR 149 CO 0.00 -0.47 -0.15 -0.63 -0.69 0.00 0.00 174.62 172.68 3abl s ILE 150 N 4.53 2.88 -0.35 1.82 1.01 -0.02 -1.96 121.20 129.12 3abl s ILE 150 Ca 0.58 -0.74 -0.27 0.00 0.00 0.00 0.00 60.65 60.22 3abl s ILE 150 Cb -0.17 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.13 3abl s ILE 150 CO 0.24 0.54 1.00 -0.60 0.00 0.00 0.00 174.94 176.12 3abl s ARG 151 N 0.16 3.96 -0.18 2.79 3.52 -0.51 -1.00 118.95 127.68 3abl s ARG 151 Ca -0.08 0.82 -0.11 0.00 -0.13 0.00 0.00 55.73 56.22 3abl s ARG 151 Cb -0.15 -3.77 -0.05 0.00 -1.56 0.00 0.00 34.95 29.42 3abl s ARG 151 CO 0.05 -0.93 0.19 -1.64 -0.81 0.00 0.00 175.30 172.17 3abl s MET 152 N 3.57 4.21 -0.08 5.12 -1.94 -0.18 -1.24 119.30 128.77 3abl s MET 152 Ca 0.42 -0.10 0.03 0.00 -1.71 0.00 0.00 55.69 54.33 3abl s MET 152 Cb -0.12 -3.42 -0.02 0.00 2.01 0.00 0.00 34.83 33.28 3abl s MET 152 CO 0.17 0.28 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.78 3abl s LEU 153 N 0.40 2.52 -0.03 -0.03 1.43 0.05 -1.31 118.68 121.70 3abl s LEU 153 Ca 0.11 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3abl s LEU 153 Cb -0.12 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 3abl s LEU 153 CO 0.00 0.26 -0.13 -0.69 0.23 0.00 0.00 176.35 176.02 3abl s VAL 154 N -0.21 1.08 0.25 -1.59 1.01 0.95 -0.58 120.40 121.31 3abl s VAL 154 Ca -0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 3abl s VAL 154 Cb -0.13 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.33 3abl s VAL 154 CO 0.03 0.32 0.42 -0.24 0.00 0.00 0.00 175.10 175.64 3abl n SER 155 N 3.18 -1.21 -4.01 3.32 2.88 -0.96 -1.12 113.62 115.69 3abl n SER 155 Ca -0.18 -2.20 -0.09 0.00 -1.33 0.00 0.00 58.87 55.07 3abl n SER 155 Cb 0.54 2.12 -0.11 0.00 -0.75 0.00 0.00 64.21 66.01 3abl n SER 155 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3abl s SER 156 N -2.45 0.39 0.00 -3.46 0.15 -1.23 -0.62 113.70 106.47 3abl s SER 156 Ca 0.16 -0.60 0.14 0.00 0.70 0.00 0.00 55.95 56.35 3abl s SER 156 Cb -0.02 0.11 0.32 0.00 -1.71 0.00 0.00 66.02 64.71 3abl s SER 156 CO 0.12 -0.34 1.23 -0.62 1.20 0.00 0.00 173.24 174.83 3abl n GLU 157 N 1.31 2.33 0.00 5.44 1.02 -0.56 -4.05 120.64 126.14 3abl n GLU 157 Ca -0.22 -1.98 0.00 0.00 -0.02 0.00 0.00 57.16 54.94 3abl n GLU 157 Cb 0.56 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 3abl n GLU 157 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3abl n ASP 158 N 0.81 0.00 -4.85 1.62 5.68 -1.26 -5.06 116.55 113.49 3abl n ASP 158 Ca 0.13 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 54.20 3abl n ASP 158 Cb 0.45 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.52 3abl n ASP 158 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3abl s VAL 159 N 0.83 2.01 0.38 2.12 -7.23 -1.26 -4.65 120.40 112.61 3abl s VAL 159 Ca 0.00 -0.83 -0.27 0.00 -1.81 0.00 0.00 61.98 59.08 3abl s VAL 159 Cb 0.00 -2.19 -0.09 0.00 0.56 0.00 0.00 36.38 34.66 3abl s VAL 159 CO 0.00 0.00 1.24 -0.76 -0.31 0.00 0.00 175.10 175.27 3abl s LEU 160 N -4.93 4.28 0.00 1.32 1.43 -1.26 -4.65 118.68 114.87 3abl s LEU 160 Ca 0.65 2.52 0.01 0.00 -1.03 0.00 0.00 54.13 56.28 3abl s LEU 160 Cb -0.05 -3.87 -0.00 0.00 0.03 0.00 0.00 46.19 42.30 3abl s LEU 160 CO 0.42 -0.67 0.03 1.41 0.23 0.00 0.00 176.35 177.77 3abl n HIS 161 N 0.32 -0.04 -3.66 0.29 8.25 -0.57 -4.53 115.22 115.28 3abl n HIS 161 Ca 0.03 -0.39 -0.11 0.00 -0.26 0.00 0.00 57.72 56.99 3abl n HIS 161 Cb 0.44 0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.49 3abl n HIS 161 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3abl s SER 162 N -1.35 -0.73 -0.35 0.41 0.15 -1.26 0.41 113.70 110.98 3abl s SER 162 Ca 0.04 1.31 -0.12 0.00 0.70 0.00 0.00 55.95 57.88 3abl s SER 162 Cb 0.00 1.27 -0.00 0.00 -1.71 0.00 0.00 66.02 65.58 3abl s SER 162 CO 0.03 -0.22 0.23 0.86 1.20 0.00 0.00 173.24 175.34 3abl s TRP 163 N 0.84 3.22 0.01 3.44 -0.00 0.22 -0.47 118.94 126.19 3abl s TRP 163 Ca -0.04 -0.44 0.04 0.00 -0.00 0.00 0.00 56.10 55.66 3abl s TRP 163 Cb -0.05 -2.47 -0.01 0.00 -0.00 0.00 0.00 33.47 30.94 3abl s TRP 163 CO -0.07 -0.46 -0.12 0.00 -0.00 0.00 0.00 176.95 176.30 3abl s ALA 164 N 1.67 1.00 -0.36 5.86 0.00 -1.26 -1.07 121.76 127.61 3abl s ALA 164 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3abl s ALA 164 Cb -0.18 -0.22 0.12 0.00 0.00 0.00 0.00 23.12 22.85 3abl s ALA 164 CO 0.09 0.22 0.18 0.08 0.00 0.00 0.00 175.76 176.33 3abl s VAL 165 N -0.47 0.76 0.25 0.00 1.01 0.09 -3.50 120.40 118.54 3abl s VAL 165 Ca 0.03 -1.80 -0.04 0.00 0.00 0.00 0.00 61.98 60.17 3abl s VAL 165 Cb -0.06 -1.56 0.23 0.00 0.00 0.00 0.00 36.38 35.00 3abl s VAL 165 CO 0.00 -0.84 1.71 -0.65 0.00 0.00 0.00 175.10 175.33 3abl h PRO 166 N 7.38 0.38 -0.71 2.72 0.11 -1.74 -1.71 132.00 138.43 3abl h PRO 166 Ca -0.05 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 66.22 3abl h PRO 166 Cb 0.97 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 3abl h PRO 166 CO 0.42 0.25 0.50 0.77 -0.21 0.00 0.00 178.00 179.72 3abl h SER 167 N 0.39 0.17 -0.09 -2.05 0.02 -1.83 0.16 113.55 110.33 3abl h SER 167 Ca 0.43 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 3abl h SER 167 Cb 0.69 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3abl h SER 167 CO -0.44 0.08 0.00 0.18 -1.14 0.00 0.00 176.83 175.51 3abl n LEU 168 N -4.41 3.00 -1.92 5.07 4.77 -0.69 0.32 117.00 123.14 3abl n LEU 168 Ca 0.14 -1.08 -0.13 0.00 -0.03 0.00 0.00 56.01 54.90 3abl n LEU 168 Cb 0.66 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.74 3abl n LEU 168 CO 0.35 0.53 0.02 0.61 -1.33 0.00 0.00 177.39 177.58 3abl n GLY 169 N 1.32 0.00 3.60 -0.72 0.00 0.57 -4.49 105.19 105.47 3abl n GLY 169 Ca 0.14 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3abl n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3abl s LEU 170 N -4.17 3.19 -0.30 0.99 1.43 -0.92 -4.97 118.68 113.93 3abl s LEU 170 Ca 0.20 -0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 3abl s LEU 170 Cb -0.09 -1.81 0.19 0.00 0.03 0.00 0.00 46.19 44.51 3abl s LEU 170 CO 0.25 0.29 0.67 -0.75 0.23 0.00 0.00 176.35 177.04 3abl s LYS 171 N -1.34 0.51 -0.08 1.70 2.20 -1.25 -0.74 119.74 120.75 3abl s LYS 171 Ca 0.17 0.91 -0.01 0.00 -0.36 0.00 0.00 55.97 56.68 3abl s LYS 171 Cb -0.11 0.50 0.03 0.00 -1.51 0.00 0.00 37.83 36.74 3abl s LYS 171 CO 0.07 -0.56 -0.04 0.99 -0.36 0.00 0.00 175.35 175.45 3abl s THR 172 N 2.87 0.65 0.56 3.43 2.01 -0.23 -4.92 115.64 120.01 3abl s THR 172 Ca 0.18 -0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.90 3abl s THR 172 Cb -0.14 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 3abl s THR 172 CO -0.20 0.30 1.23 0.47 -0.69 0.00 0.00 174.62 175.73 3abl n ASP 173 N 4.91 2.03 -4.14 3.53 8.00 -1.26 -0.61 116.55 129.00 3abl n ASP 173 Ca -0.11 0.92 -0.35 0.00 0.71 0.00 0.00 54.79 55.96 3abl n ASP 173 Cb 0.50 -1.51 -0.13 0.00 -0.02 0.00 0.00 41.12 39.96 3abl n ASP 173 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3abl s ALA 174 N -1.35 2.93 -0.06 2.24 0.00 0.17 -4.69 121.76 120.99 3abl s ALA 174 Ca 0.73 -2.07 0.05 0.00 0.00 0.00 0.00 51.96 50.68 3abl s ALA 174 Cb -0.43 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.60 3abl s ALA 174 CO 0.48 -1.47 -0.22 0.42 0.00 0.00 0.00 175.76 174.97 3abl s ILE 175 N 1.19 1.79 0.46 0.00 1.01 -1.26 -1.52 121.20 122.87 3abl s ILE 175 Ca 0.00 -0.91 -0.22 0.00 0.00 0.00 0.00 60.65 59.52 3abl s ILE 175 Cb -0.21 -1.53 -0.08 0.00 0.01 0.00 0.00 42.46 40.66 3abl s ILE 175 CO -0.03 0.50 1.12 -2.16 0.00 0.00 0.00 174.94 174.38 3abl s PRO 176 N -0.01 3.79 0.00 2.79 0.04 -1.26 -2.61 135.00 137.74 3abl s PRO 176 Ca -0.06 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.62 3abl s PRO 176 Cb -0.13 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.07 3abl s PRO 176 CO 0.04 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.99 3abl n GLY 177 N 0.29 0.73 2.96 0.56 0.00 -1.26 -4.96 105.19 103.52 3abl n GLY 177 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 3abl n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3abl s ARG 178 N -0.01 0.61 -0.37 1.61 3.52 -1.07 -5.13 118.95 118.10 3abl s ARG 178 Ca 0.00 -0.21 -0.06 0.00 -0.13 0.00 0.00 55.73 55.33 3abl s ARG 178 Cb 0.00 -0.60 0.07 0.00 -1.56 0.00 0.00 34.95 32.85 3abl s ARG 178 CO 0.00 0.09 0.17 -1.17 -0.81 0.00 0.00 175.30 173.58 3abl s LEU 179 N 0.10 4.73 0.05 -0.88 2.96 -1.26 -4.39 118.68 119.98 3abl s LEU 179 Ca -0.01 -1.42 -0.10 0.00 -0.22 0.00 0.00 54.13 52.38 3abl s LEU 179 Cb -0.06 -1.89 -0.06 0.00 0.50 0.00 0.00 46.19 44.69 3abl s LEU 179 CO -0.00 -0.43 0.37 0.20 -1.32 0.00 0.00 176.35 175.17 3abl s ASN 180 N 1.71 6.64 -0.09 3.68 0.01 -0.27 -4.87 114.94 121.76 3abl s ASN 180 Ca 0.01 0.78 0.02 0.00 -0.71 0.00 0.00 52.86 52.95 3abl s ASN 180 Cb -0.21 -2.17 -0.02 0.00 0.41 0.00 0.00 41.25 39.25 3abl s ASN 180 CO 0.01 0.22 -0.12 -1.58 -1.51 0.00 0.00 177.10 174.12 3abl s GLN 181 N -1.71 2.91 0.16 -0.60 0.74 -1.26 -0.03 119.66 119.87 3abl s GLN 181 Ca 0.30 -0.66 0.01 0.00 0.05 0.00 0.00 55.36 55.05 3abl s GLN 181 Cb -0.14 -2.52 -0.04 0.00 1.10 0.00 0.00 33.01 31.40 3abl s GLN 181 CO 0.16 0.47 0.03 -0.08 -0.55 0.00 0.00 175.29 175.32 3abl s THR 182 N -0.30 0.47 0.07 -0.34 -1.32 -0.42 -5.02 115.64 108.77 3abl s THR 182 Ca 0.03 -1.96 0.07 0.00 -1.21 0.00 0.00 61.69 58.62 3abl s THR 182 Cb -0.13 -2.12 -0.04 0.00 -1.51 0.00 0.00 72.50 68.70 3abl s THR 182 CO 0.03 -0.44 -0.15 0.42 -2.21 0.00 0.00 174.62 172.26 3abl s THR 183 N -3.80 3.00 -0.05 5.08 -4.23 -1.26 -1.01 115.64 113.37 3abl s THR 183 Ca 0.25 -1.23 0.05 0.00 -1.18 0.00 0.00 61.69 59.58 3abl s THR 183 Cb 0.07 -2.32 -0.01 0.00 1.34 0.00 0.00 72.50 71.58 3abl s THR 183 CO 0.04 0.25 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.95 3abl s LEU 184 N -1.74 1.97 -0.25 4.79 0.20 -0.17 -4.93 118.68 118.54 3abl s LEU 184 Ca 0.17 -0.40 -0.02 0.00 0.69 0.00 0.00 54.13 54.56 3abl s LEU 184 Cb -0.11 -1.10 0.14 0.00 -0.43 0.00 0.00 46.19 44.69 3abl s LEU 184 CO 0.08 0.18 0.37 -0.32 -0.29 0.00 0.00 176.35 176.38 3abl s MET 185 N -0.03 0.35 -0.24 1.98 1.75 -1.26 -0.84 119.30 121.01 3abl s MET 185 Ca -0.04 0.45 -0.13 0.00 -1.25 0.00 0.00 55.69 54.72 3abl s MET 185 Cb -0.12 -0.49 -0.04 0.00 2.84 0.00 0.00 34.83 37.02 3abl s MET 185 CO 0.03 -0.71 0.27 0.45 -0.65 0.00 0.00 175.02 174.40 3abl s SER 186 N 2.53 6.21 0.41 1.11 0.15 -1.26 -4.26 113.70 118.59 3abl s SER 186 Ca 0.12 0.23 0.29 0.00 0.70 0.00 0.00 55.95 57.29 3abl s SER 186 Cb -0.15 -2.16 1.44 0.00 -1.71 0.00 0.00 66.02 63.44 3abl s SER 186 CO -0.18 -0.04 1.87 0.28 1.20 0.00 0.00 173.24 176.37 3abl h SER 187 N 7.75 0.00 -5.08 5.45 0.02 -1.77 0.11 113.55 120.03 3abl h SER 187 Ca -0.36 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.44 3abl h SER 187 Cb 1.17 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.52 3abl h SER 187 CO 0.65 0.00 -0.69 -0.13 -1.14 0.00 0.00 176.83 175.52 3abl s ARG 188 N -3.65 0.43 0.95 3.45 0.52 -1.26 -4.83 118.95 114.56 3abl s ARG 188 Ca -0.01 -0.85 -0.13 0.00 -0.52 0.00 0.00 55.73 54.21 3abl s ARG 188 Cb 0.09 0.15 0.16 0.00 0.52 0.00 0.00 34.95 35.87 3abl s ARG 188 CO 0.32 -0.07 1.16 -1.25 0.02 0.00 0.00 175.30 175.48 3abl s PRO 189 N -2.44 0.85 0.00 3.54 0.04 -1.26 -4.85 135.00 130.87 3abl s PRO 189 Ca -0.07 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.13 3abl s PRO 189 Cb -0.03 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.69 3abl s PRO 189 CO -0.05 -2.37 0.00 0.41 0.04 0.00 0.00 177.00 175.03 3abl n GLY 190 N -2.31 0.93 3.21 0.56 0.00 -0.98 -4.93 105.19 101.68 3abl n GLY 190 Ca 0.08 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 3abl n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3abl s LEU 191 N 0.00 2.34 -0.11 0.99 1.43 -1.26 -0.93 118.68 121.14 3abl s LEU 191 Ca 0.00 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3abl s LEU 191 Cb 0.00 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.71 3abl s LEU 191 CO 0.00 0.05 -0.14 -0.31 0.23 0.00 0.00 176.35 176.19 3abl s TYR 192 N 0.99 1.91 0.11 0.29 1.51 -0.46 -4.96 117.35 116.73 3abl s TYR 192 Ca -0.02 -0.93 0.03 0.00 -1.01 0.00 0.00 57.07 55.14 3abl s TYR 192 Cb -0.15 -1.40 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 3abl s TYR 192 CO -0.04 -0.50 0.14 0.71 -1.11 0.00 0.00 175.55 174.75 3abl s TYR 193 N 1.14 3.27 0.32 2.71 2.02 -1.26 -0.78 117.35 124.76 3abl s TYR 193 Ca -0.04 0.08 -0.18 0.00 -0.37 0.00 0.00 57.07 56.56 3abl s TYR 193 Cb -0.14 -1.62 0.03 0.00 -0.40 0.00 0.00 41.96 39.83 3abl s TYR 193 CO -0.04 0.53 0.73 0.20 -1.57 0.00 0.00 175.55 175.41 3abl s GLY 194 N -2.72 0.14 0.07 0.71 0.00 -0.07 -4.00 107.32 101.44 3abl s GLY 194 Ca 0.31 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.52 3abl s GLY 194 CO 0.24 -0.21 -0.05 1.20 0.00 0.00 0.00 173.10 174.28 3abl s GLN 195 N -3.33 0.68 0.09 2.90 -0.21 -1.23 -0.25 119.66 118.32 3abl s GLN 195 Ca 0.13 -1.19 -0.31 0.00 0.02 0.00 0.00 55.36 54.01 3abl s GLN 195 Cb -0.05 -0.01 -0.08 0.00 1.00 0.00 0.00 33.01 33.86 3abl s GLN 195 CO 0.09 -0.05 1.55 0.00 -2.12 0.00 0.00 175.29 174.76 3abl n SER 197 N 4.84 3.81 -3.75 0.00 7.64 0.37 -4.88 113.62 121.66 3abl n SER 197 Ca 0.14 -3.81 -0.14 0.00 1.01 0.00 0.00 58.87 56.08 3abl n SER 197 Cb 0.41 -0.51 -0.14 0.00 -1.01 0.00 0.00 64.21 62.95 3abl n SER 197 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3abl s GLU 198 N -3.45 0.09 -0.14 1.43 2.56 -1.26 -4.55 118.70 113.38 3abl s GLU 198 Ca 0.48 0.36 -0.39 0.00 0.00 0.00 0.00 54.97 55.41 3abl s GLU 198 Cb 0.41 -0.18 -0.16 0.00 2.00 0.00 0.00 34.13 36.20 3abl s GLU 198 CO -0.00 -0.16 1.56 1.51 -0.56 0.00 0.00 175.26 177.60 3abl n ILE 199 N 4.17 0.16 -1.79 -3.70 3.06 -1.26 -4.61 119.36 115.39 3abl n ILE 199 Ca -0.26 -0.03 0.00 0.00 -2.50 0.00 0.00 62.75 59.96 3abl n ILE 199 Cb 0.52 -0.99 0.00 0.00 0.54 0.00 0.00 39.64 39.71 3abl n ILE 199 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3abl n GLY 201 N 0.00 -0.87 0.43 0.00 0.00 -1.26 -4.76 105.19 98.73 3abl n GLY 201 Ca 0.00 -2.13 0.31 0.00 0.00 0.00 0.00 46.02 44.19 3abl n GLY 201 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3abl h SER 202 N 0.00 0.34 0.00 1.61 0.02 -2.02 -2.58 113.55 110.92 3abl h SER 202 Ca 0.00 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3abl h SER 202 Cb 0.00 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 3abl h SER 202 CO 0.00 -0.10 -0.44 0.59 -1.14 0.00 0.00 176.83 175.73 3abl n ASN 203 N -4.73 1.61 -0.30 3.07 3.02 -1.26 -4.69 115.26 111.99 3abl n ASN 203 Ca 0.33 -3.19 0.08 0.00 -0.03 0.00 0.00 54.58 51.77 3abl n ASN 203 Cb 1.21 -0.43 0.19 0.00 -0.61 0.00 0.00 39.78 40.14 3abl n ASN 203 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 3abl h HIS 204 N 0.62 -0.11 0.00 3.10 -0.00 -1.76 0.90 115.15 117.90 3abl h HIS 204 Ca -0.04 0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3abl h HIS 204 Cb 1.18 0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.78 3abl h HIS 204 CO 0.39 -0.32 0.00 0.43 -0.00 0.00 0.00 177.93 178.42 3abl n SER 205 N -5.43 0.00 -2.62 3.26 7.64 -1.26 -4.06 113.62 111.15 3abl n SER 205 Ca 0.17 -0.06 -0.11 0.00 1.01 0.00 0.00 58.87 59.88 3abl n SER 205 Cb 0.56 -0.23 0.03 0.00 -1.01 0.00 0.00 64.21 63.56 3abl n SER 205 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3abl n PHE 206 N -1.23 1.69 -2.98 1.43 0.99 0.31 -4.84 117.46 112.83 3abl n PHE 206 Ca 0.09 -2.63 -0.15 0.00 -0.00 0.00 0.00 57.45 54.76 3abl n PHE 206 Cb 0.11 -0.29 0.00 0.00 -1.00 0.00 0.00 39.48 38.31 3abl n PHE 206 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3abl n MET 207 N -0.33 0.87 -0.94 -1.08 0.00 -1.24 -4.62 117.12 109.79 3abl n MET 207 Ca 0.17 -2.63 -0.12 0.00 0.00 0.00 0.00 57.70 55.11 3abl n MET 207 Cb 0.80 -1.36 0.08 0.00 0.00 0.00 0.00 33.22 32.74 3abl n MET 207 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3abl n PRO 208 N 0.92 -0.40 -4.18 3.17 -0.04 -1.26 -3.63 135.00 129.58 3abl n PRO 208 Ca 0.16 -0.94 -0.20 0.00 -0.04 0.00 0.00 63.50 62.48 3abl n PRO 208 Cb 0.63 -0.53 -0.16 0.00 -0.04 0.00 0.00 33.50 33.39 3abl n PRO 208 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3abl s ILE 209 N -2.05 0.56 -0.09 0.52 1.01 0.66 -4.80 121.20 117.00 3abl s ILE 209 Ca 0.32 -0.14 -0.00 0.00 0.00 0.00 0.00 60.65 60.83 3abl s ILE 209 Cb -0.01 -0.58 0.02 0.00 0.01 0.00 0.00 42.46 41.90 3abl s ILE 209 CO 0.22 0.23 -0.05 -0.69 0.00 0.00 0.00 174.94 174.65 3abl s VAL 210 N 0.90 0.76 -0.12 2.92 1.01 -1.26 -0.89 120.40 123.72 3abl s VAL 210 Ca -0.11 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 3abl s VAL 210 Cb -0.14 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 3abl s VAL 210 CO 0.00 0.31 0.21 -0.76 0.00 0.00 0.00 175.10 174.86 3abl s LEU 211 N 1.59 4.35 -0.32 3.92 1.43 0.04 -0.19 118.68 129.52 3abl s LEU 211 Ca 0.01 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.60 3abl s LEU 211 Cb -0.13 -2.21 0.05 0.00 0.03 0.00 0.00 46.19 43.94 3abl s LEU 211 CO -0.05 0.31 0.03 -0.70 0.23 0.00 0.00 176.35 176.18 3abl s GLU 212 N -0.60 2.44 -0.26 1.70 2.12 0.72 -1.36 118.70 123.46 3abl s GLU 212 Ca 0.16 -1.28 -0.11 0.00 0.36 0.00 0.00 54.97 54.10 3abl s GLU 212 Cb -0.13 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 3abl s GLU 212 CO 0.05 -0.66 0.18 -0.51 -0.54 0.00 0.00 175.26 173.77 3abl s LEU 213 N 1.28 4.06 0.12 2.70 2.01 -0.10 0.28 118.68 129.03 3abl s LEU 213 Ca -0.04 0.05 0.02 0.00 0.01 0.00 0.00 54.13 54.17 3abl s LEU 213 Cb -0.20 -2.11 -0.04 0.00 0.01 0.00 0.00 46.19 43.85 3abl s LEU 213 CO -0.00 0.00 -0.05 0.68 1.01 0.00 0.00 176.35 177.99 3abl s VAL 214 N 1.43 0.76 0.57 -1.59 -7.23 0.59 -2.32 120.40 112.61 3abl s VAL 214 Ca 0.07 -1.97 -0.19 0.00 -1.81 0.00 0.00 61.98 58.09 3abl s VAL 214 Cb -0.15 -1.82 -0.07 0.00 0.56 0.00 0.00 36.38 34.90 3abl s VAL 214 CO 0.08 -0.75 0.80 -2.65 -0.31 0.00 0.00 175.10 172.27 3abl n PRO 215 N -0.12 0.79 -0.17 4.82 -0.02 -1.26 -1.16 135.00 137.88 3abl n PRO 215 Ca -0.10 0.30 -0.01 0.00 -2.02 0.00 0.00 63.50 61.67 3abl n PRO 215 Cb 0.61 -1.97 0.07 0.00 -0.02 0.00 0.00 33.50 32.19 3abl n PRO 215 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3abl h LEU 216 N 0.50 -0.24 -0.68 2.45 5.85 -1.93 0.11 115.31 121.36 3abl h LEU 216 Ca -0.47 0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.51 3abl h LEU 216 Cb 1.38 0.23 -0.09 0.00 0.37 0.00 0.00 40.66 42.55 3abl h LEU 216 CO 0.50 -0.09 0.23 0.11 -0.34 0.00 0.00 178.44 178.86 3abl h LYS 217 N 0.11 0.37 -0.46 1.25 1.79 -1.99 0.41 116.57 118.05 3abl h LYS 217 Ca 0.27 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.65 3abl h LYS 217 Cb 0.42 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 3abl h LYS 217 CO -0.45 0.24 0.02 1.88 -1.08 0.00 0.00 179.45 180.06 3abl h TYR 218 N 0.38 0.86 -0.74 -1.35 0.05 -1.63 -0.83 116.97 113.71 3abl h TYR 218 Ca 0.37 -0.14 0.11 0.00 0.05 0.00 0.00 58.73 59.12 3abl h TYR 218 Cb 0.54 -0.23 -0.08 0.00 1.01 0.00 0.00 36.73 37.97 3abl h TYR 218 CO -0.19 0.83 0.35 0.35 -1.05 0.00 0.00 178.16 178.45 3abl h PHE 219 N 0.65 0.62 -0.27 4.88 3.57 0.14 0.58 116.94 127.11 3abl h PHE 219 Ca 0.13 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 3abl h PHE 219 Cb 0.47 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3abl h PHE 219 CO 0.04 0.18 -0.16 0.93 -2.23 0.00 0.00 178.31 177.06 3abl h GLU 220 N 0.56 0.59 -0.36 1.11 5.08 -0.05 0.96 114.58 122.48 3abl h GLU 220 Ca 0.38 -0.27 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 3abl h GLU 220 Cb 0.48 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.64 3abl h GLU 220 CO -0.32 0.85 -0.20 0.87 -1.00 0.00 0.00 179.01 179.22 3abl h LYS 221 N 0.33 -0.13 -0.10 2.33 1.57 -0.85 0.08 116.57 119.79 3abl h LYS 221 Ca 0.06 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3abl h LYS 221 Cb 0.69 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3abl h LYS 221 CO 0.05 -0.09 -0.02 2.35 -0.57 0.00 0.00 179.45 181.16 3abl h TRP 222 N -0.14 -0.05 -0.41 -1.35 7.01 -0.65 0.11 115.95 120.47 3abl h TRP 222 Ca 0.18 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.27 3abl h TRP 222 Cb 0.42 0.04 -0.09 0.00 -2.10 0.00 0.00 29.16 27.43 3abl h TRP 222 CO -0.41 -0.04 -0.21 0.77 -2.79 0.00 0.00 178.44 175.75 3abl h SER 223 N 0.00 -0.71 -0.01 2.65 0.02 -0.08 -2.31 113.55 113.10 3abl h SER 223 Ca 0.05 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3abl h SER 223 Cb 0.08 0.38 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3abl h SER 223 CO -0.11 -0.24 -0.04 0.00 -1.14 0.00 0.00 176.83 175.30 3abl h ALA 224 N 1.12 -0.03 0.00 3.77 0.00 -0.55 -1.70 119.26 121.87 3abl h ALA 224 Ca 0.20 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3abl h ALA 224 Cb 0.44 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3abl h ALA 224 CO -0.49 -0.53 0.10 -1.13 0.00 0.00 0.00 179.25 177.19 3abl n SER 225 N -5.15 0.00 -0.18 0.00 3.41 0.34 -3.09 113.62 108.95 3abl n SER 225 Ca -0.06 0.39 0.07 0.00 -0.26 0.00 0.00 58.87 59.01 3abl n SER 225 Cb 0.08 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 3abl n SER 225 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3abl n MET 226 N -1.39 2.13 0.00 4.33 1.56 -0.64 -5.08 117.12 118.03 3abl n MET 226 Ca 0.00 -0.42 0.00 0.00 -0.27 0.00 0.00 57.70 57.01 3abl n MET 226 Cb 0.10 -1.18 0.00 0.00 2.15 0.00 0.00 33.22 34.28 3abl n MET 226 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52