#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1occ s ALA 2 N 0.00 3.75 0.40 3.17 0.00 -1.26 -4.79 121.76 123.03 1occ s ALA 2 Ca 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.41 1occ s ALA 2 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1occ s ALA 2 CO 0.00 0.33 0.52 1.52 0.00 0.00 0.00 175.76 178.13 1occ s TYR 3 N -0.19 2.86 0.38 0.00 1.13 -1.26 -5.07 117.35 115.19 1occ s TYR 3 Ca 0.12 -0.37 -0.28 0.00 -1.41 0.00 0.00 57.07 55.13 1occ s TYR 3 Cb -0.12 -2.26 -0.10 0.00 -1.10 0.00 0.00 41.96 38.38 1occ s TYR 3 CO 0.01 -0.28 1.42 -2.14 -2.51 0.00 0.00 175.55 172.05 1occ s PRO 4 N -4.28 4.11 -1.71 -3.49 0.02 -1.26 -3.25 135.00 125.14 1occ s PRO 4 Ca 0.52 2.43 -0.01 0.00 0.02 0.00 0.00 61.00 63.96 1occ s PRO 4 Cb -0.09 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.49 1occ s PRO 4 CO 0.32 -0.48 0.09 -0.12 -0.33 0.00 0.00 177.00 176.48 1occ n MET 5 N 0.44 -2.13 -2.40 5.54 1.56 -1.26 -4.97 117.12 113.90 1occ n MET 5 Ca 0.01 0.98 -0.38 0.00 -0.27 0.00 0.00 57.70 58.04 1occ n MET 5 Cb 0.41 -5.64 -0.03 0.00 2.15 0.00 0.00 33.22 30.11 1occ n MET 5 CO 0.00 0.00 0.00 -1.14 -0.73 0.00 0.00 175.97 174.10 1occ s GLN 6 N -5.12 4.13 -0.17 2.12 0.74 -1.20 -4.99 119.66 115.17 1occ s GLN 6 Ca 0.05 1.72 -0.11 0.00 0.05 0.00 0.00 55.36 57.06 1occ s GLN 6 Cb -0.02 -2.66 -0.07 0.00 1.10 0.00 0.00 33.01 31.35 1occ s GLN 6 CO 0.06 -0.22 -0.26 1.28 -0.55 0.00 0.00 175.29 175.60 1occ n LEU 7 N 0.10 1.51 0.00 3.68 4.32 -1.26 -5.09 117.00 120.26 1occ n LEU 7 Ca 0.04 0.26 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 1occ n LEU 7 Cb 0.47 -0.60 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 1occ n LEU 7 CO 0.49 0.15 0.00 0.61 -1.22 0.00 0.00 177.39 177.42 1occ n GLY 8 N 1.83 2.50 3.79 -0.72 0.00 -1.26 -5.11 105.19 106.22 1occ n GLY 8 Ca -0.30 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.52 1occ n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1occ s PHE 9 N 2.95 2.89 0.58 1.61 0.08 -1.26 -5.02 117.98 119.81 1occ s PHE 9 Ca 0.00 1.53 -0.19 0.00 0.12 0.00 0.00 56.93 58.39 1occ s PHE 9 Cb 0.00 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 1occ s PHE 9 CO 0.00 -1.22 1.17 -0.65 -0.10 0.00 0.00 175.22 174.41 1occ s GLN 10 N -3.90 3.09 0.24 0.44 -0.21 -1.26 -4.90 119.66 113.16 1occ s GLN 10 Ca 0.65 1.71 -0.31 0.00 0.02 0.00 0.00 55.36 57.43 1occ s GLN 10 Cb -0.18 -1.96 -0.12 0.00 1.00 0.00 0.00 33.01 31.76 1occ s GLN 10 CO 0.35 -1.08 1.66 -0.51 -2.12 0.00 0.00 175.29 173.59 1occ s ASP 11 N -1.75 6.39 -0.14 5.90 1.01 -1.26 -4.83 116.67 121.99 1occ s ASP 11 Ca 0.75 2.89 -0.29 0.00 0.71 0.00 0.00 52.55 56.61 1occ s ASP 11 Cb -0.27 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.00 1occ s ASP 11 CO 0.31 -0.94 1.87 0.00 0.21 0.00 0.00 175.17 176.62 1occ s ALA 12 N 0.69 3.24 -0.58 5.23 0.00 -1.26 -4.73 121.76 124.35 1occ s ALA 12 Ca 0.70 0.82 0.24 0.00 0.00 0.00 0.00 51.96 53.71 1occ s ALA 12 Cb -0.49 -3.90 0.29 0.00 0.00 0.00 0.00 23.12 19.03 1occ s ALA 12 CO 0.38 -2.02 1.28 1.15 0.00 0.00 0.00 175.76 176.56 1occ h THR 13 N 6.22 0.00 -3.28 0.00 2.02 -1.17 -3.47 112.91 113.22 1occ h THR 13 Ca -0.40 -0.57 -0.36 0.00 0.77 0.00 0.00 66.41 65.86 1occ h THR 13 Cb 1.20 1.14 -0.14 0.00 -1.74 0.00 0.00 68.15 68.60 1occ h THR 13 CO 0.97 0.00 -0.71 -0.94 0.37 0.00 0.00 175.52 175.21 1occ s SER 14 N -4.40 1.94 0.26 4.18 1.04 -1.24 -1.55 113.70 113.92 1occ s SER 14 Ca 0.05 -1.05 -0.05 0.00 0.48 0.00 0.00 55.95 55.39 1occ s SER 14 Cb 0.13 -0.03 0.30 0.00 0.10 0.00 0.00 66.02 66.52 1occ s SER 14 CO 0.73 -0.33 1.89 1.55 0.98 0.00 0.00 173.24 178.05 1occ h PRO 15 N 2.69 1.17 -0.15 4.02 0.13 -1.91 -2.51 132.00 135.45 1occ h PRO 15 Ca -0.37 -0.13 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 1occ h PRO 15 Cb 1.20 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1occ h PRO 15 CO 0.63 0.84 -0.38 -0.84 -0.23 0.00 0.00 178.00 178.02 1occ h ILE 16 N 1.18 1.30 -0.03 -3.56 -0.00 -1.94 -0.08 117.51 114.39 1occ h ILE 16 Ca 0.30 -1.48 -0.07 0.00 -0.00 0.00 0.00 64.86 63.61 1occ h ILE 16 Cb 0.01 1.61 -0.01 0.00 -0.00 0.00 0.00 36.82 38.43 1occ h ILE 16 CO -0.05 0.45 -0.30 -0.03 -0.00 0.00 0.00 178.15 178.21 1occ h MET 17 N 0.27 0.05 0.01 0.16 4.05 -1.73 0.15 114.93 117.89 1occ h MET 17 Ca 0.03 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1occ h MET 17 Cb 0.80 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1occ h MET 17 CO 0.06 0.35 -0.01 0.93 0.23 0.00 0.00 176.91 178.48 1occ h GLU 18 N 0.04 -0.02 -0.98 0.39 5.08 -0.97 -2.32 114.58 115.80 1occ h GLU 18 Ca 0.00 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.56 1occ h GLU 18 Cb 0.56 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.72 1occ h GLU 18 CO 0.04 0.43 0.62 1.49 -1.00 0.00 0.00 179.01 180.59 1occ h GLU 19 N -0.47 0.62 -0.18 2.33 4.57 -0.40 -0.77 114.58 120.28 1occ h GLU 19 Ca -0.00 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1occ h GLU 19 Cb 0.45 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1occ h GLU 19 CO 0.00 0.41 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.10 1occ h LEU 20 N 0.64 0.38 -0.73 1.64 3.38 -0.55 -2.16 115.31 117.91 1occ h LEU 20 Ca 0.55 -0.40 0.14 0.00 0.09 0.00 0.00 57.88 58.25 1occ h LEU 20 Cb 1.02 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.57 1occ h LEU 20 CO -0.31 0.70 0.28 -0.07 0.09 0.00 0.00 178.44 179.12 1occ h LEU 21 N 0.06 0.24 -0.75 1.67 3.38 -0.59 0.38 115.31 119.70 1occ h LEU 21 Ca 0.04 0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1occ h LEU 21 Cb 0.55 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1occ h LEU 21 CO 0.02 0.10 -0.26 0.45 0.09 0.00 0.00 178.44 178.84 1occ h HIS 22 N 0.42 0.76 -0.38 1.13 3.86 -1.35 -1.23 115.15 118.37 1occ h HIS 22 Ca 0.40 -0.18 -0.15 0.00 -1.16 0.00 0.00 60.37 59.28 1occ h HIS 22 Cb 0.59 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1occ h HIS 22 CO -0.18 0.86 -0.34 0.35 0.86 0.00 0.00 177.93 179.48 1occ h PHE 23 N 0.58 1.03 -0.70 2.45 3.57 -0.24 -1.92 116.94 121.71 1occ h PHE 23 Ca 0.08 -0.29 -0.06 0.00 3.53 0.00 0.00 57.97 61.23 1occ h PHE 23 Cb 0.74 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1occ h PHE 23 CO 0.03 1.08 0.19 1.25 -2.23 0.00 0.00 178.31 178.64 1occ h HIS 24 N 0.73 1.15 -0.65 0.41 2.76 -0.16 0.79 115.15 120.16 1occ h HIS 24 Ca 0.07 -0.13 0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1occ h HIS 24 Cb 0.91 -0.33 -0.04 0.00 1.55 0.00 0.00 27.41 29.50 1occ h HIS 24 CO 0.05 0.93 0.40 -0.44 -1.30 0.00 0.00 177.93 177.57 1occ h ASP 25 N 1.04 0.66 0.52 3.26 3.32 -1.00 0.57 116.42 124.79 1occ h ASP 25 Ca 0.22 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1occ h ASP 25 Cb 0.34 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.75 1occ h ASP 25 CO -0.00 0.46 -0.25 -0.74 -1.72 0.00 0.00 179.24 176.99 1occ h HIS 26 N 0.79 -0.65 -0.60 4.55 -0.00 -0.81 -0.18 115.15 118.24 1occ h HIS 26 Ca 0.26 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.65 1occ h HIS 26 Cb 0.01 0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.60 1occ h HIS 26 CO -0.05 -0.39 0.35 1.15 -0.00 0.00 0.00 177.93 179.00 1occ h THR 27 N -0.73 1.03 -0.13 6.26 2.02 -0.54 -2.08 112.91 118.74 1occ h THR 27 Ca -0.07 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 1occ h THR 27 Cb 0.55 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1occ h THR 27 CO 0.12 0.13 -0.15 0.25 0.37 0.00 0.00 175.52 176.23 1occ h LEU 28 N 0.69 0.20 -0.68 2.58 5.85 0.32 -1.85 115.31 122.42 1occ h LEU 28 Ca 0.25 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1occ h LEU 28 Cb 0.07 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1occ h LEU 28 CO -0.13 0.38 0.30 -0.03 -0.34 0.00 0.00 178.44 178.62 1occ h MET 29 N 0.20 1.00 -0.14 1.25 4.05 -0.32 -1.52 114.93 119.45 1occ h MET 29 Ca 0.04 -0.17 -0.04 0.00 -0.28 0.00 0.00 59.70 59.26 1occ h MET 29 Cb 0.40 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1occ h MET 29 CO 0.02 0.81 -0.05 0.82 0.23 0.00 0.00 176.91 178.74 1occ h ILE 30 N 0.96 1.31 0.00 1.77 2.04 -1.13 -1.77 117.51 120.68 1occ h ILE 30 Ca 0.23 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 1occ h ILE 30 Cb 0.17 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1occ h ILE 30 CO -0.02 0.31 -0.01 -0.37 0.00 0.00 0.00 178.15 178.06 1occ h VAL 31 N -0.05 0.45 -0.06 1.67 -1.51 -1.13 0.15 116.25 115.77 1occ h VAL 31 Ca 0.03 -0.04 -0.22 0.00 -1.23 0.00 0.00 66.70 65.24 1occ h VAL 31 Cb 0.50 1.03 0.01 0.00 -2.13 0.00 0.00 31.29 30.71 1occ h VAL 31 CO 0.02 0.01 -0.82 -0.26 -1.23 0.00 0.00 177.57 175.28 1occ h PHE 32 N 0.00 0.94 0.77 5.19 0.04 -0.97 -1.70 116.94 121.21 1occ h PHE 32 Ca -0.00 -0.47 -0.04 0.00 2.80 0.00 0.00 57.97 60.26 1occ h PHE 32 Cb 0.03 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 38.06 1occ h PHE 32 CO 0.00 1.30 -0.38 1.25 -0.60 0.00 0.00 178.31 179.87 1occ h LEU 33 N 0.32 -0.92 0.23 1.54 6.46 0.11 -1.54 115.31 121.52 1occ h LEU 33 Ca -0.09 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1occ h LEU 33 Cb 1.48 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 41.65 1occ h LEU 33 CO 0.16 -0.64 -0.11 0.40 -0.62 0.00 0.00 178.44 177.63 1occ h ILE 34 N -1.05 0.78 0.00 4.05 1.08 -1.23 -0.01 117.51 121.13 1occ h ILE 34 Ca -0.10 -0.05 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1occ h ILE 34 Cb 0.81 0.81 -0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1occ h ILE 34 CO 0.16 0.01 -0.01 0.77 -0.69 0.00 0.00 178.15 178.39 1occ h SER 35 N -0.34 0.00 0.49 1.72 4.64 -1.31 -0.66 113.55 118.09 1occ h SER 35 Ca -0.03 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.00 1occ h SER 35 Cb 0.26 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.31 1occ h SER 35 CO 0.05 0.01 -1.69 0.77 -0.87 0.00 0.00 176.83 175.10 1occ h SER 36 N 0.00 0.03 0.29 4.97 4.64 -0.98 -3.19 113.55 119.31 1occ h SER 36 Ca -0.00 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1occ h SER 36 Cb 0.04 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1occ h SER 36 CO 0.00 1.06 -0.14 0.25 -0.87 0.00 0.00 176.83 177.13 1occ h LEU 37 N 0.01 -0.32 -0.49 5.97 5.85 0.09 -1.07 115.31 125.34 1occ h LEU 37 Ca -0.28 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.47 1occ h LEU 37 Cb 2.00 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 43.06 1occ h LEU 37 CO 0.08 -0.17 0.15 0.58 -0.34 0.00 0.00 178.44 178.74 1occ h VAL 38 N -0.46 0.79 -0.57 1.05 2.07 -1.31 0.02 116.25 117.84 1occ h VAL 38 Ca -0.04 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1occ h VAL 38 Cb 0.35 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1occ h VAL 38 CO 0.06 0.06 0.26 0.25 0.02 0.00 0.00 177.57 178.22 1occ h LEU 39 N 0.31 0.73 0.06 2.57 5.85 -1.50 -0.48 115.31 122.85 1occ h LEU 39 Ca 0.24 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1occ h LEU 39 Cb 0.28 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1occ h LEU 39 CO -0.27 0.63 -0.03 0.22 -0.34 0.00 0.00 178.44 178.65 1occ h TYR 40 N 0.81 -0.08 -0.50 1.25 5.03 -0.06 -2.28 116.97 121.15 1occ h TYR 40 Ca 0.20 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.59 1occ h TYR 40 Cb 0.10 0.03 -0.07 0.00 1.55 0.00 0.00 36.73 38.33 1occ h TYR 40 CO 0.01 0.36 0.08 0.82 -1.32 0.00 0.00 178.16 178.11 1occ h ILE 41 N -0.54 0.69 -0.08 1.81 1.08 -0.75 0.45 117.51 120.17 1occ h ILE 41 Ca -0.01 -0.07 0.04 0.00 -0.39 0.00 0.00 64.86 64.43 1occ h ILE 41 Cb 0.47 0.47 -0.05 0.00 -3.07 0.00 0.00 36.82 34.65 1occ h ILE 41 CO 0.01 0.04 -0.19 0.40 -0.69 0.00 0.00 178.15 177.72 1occ h ILE 42 N 0.21 0.53 -0.08 -0.67 2.04 -1.06 -0.35 117.51 118.13 1occ h ILE 42 Ca 0.25 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.06 1occ h ILE 42 Cb 0.35 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1occ h ILE 42 CO -0.35 0.00 -0.19 0.77 0.00 0.00 0.00 178.15 178.39 1occ h SER 43 N -0.27 0.13 -0.10 1.72 4.64 -0.84 -2.43 113.55 116.40 1occ h SER 43 Ca 0.08 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1occ h SER 43 Cb 0.38 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1occ h SER 43 CO -0.23 0.33 0.04 0.25 -0.87 0.00 0.00 176.83 176.34 1occ h LEU 44 N 0.13 0.13 -1.35 5.97 5.85 -0.00 -2.84 115.31 123.19 1occ h LEU 44 Ca 0.02 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1occ h LEU 44 Cb 0.41 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1occ h LEU 44 CO 0.03 0.24 0.46 0.24 -0.34 0.00 0.00 178.44 179.07 1occ h MET 45 N 0.01 0.82 -0.27 1.25 2.86 -0.64 -2.49 114.93 116.47 1occ h MET 45 Ca 0.03 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1occ h MET 45 Cb 0.15 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1occ h MET 45 CO -0.00 0.54 0.00 1.28 1.06 0.00 0.00 176.91 179.79 1occ n LEU 46 N -4.46 1.95 -0.94 1.22 4.77 -0.96 -4.38 117.00 114.20 1occ n LEU 46 Ca 0.09 -0.88 0.08 0.00 -0.03 0.00 0.00 56.01 55.26 1occ n LEU 46 Cb 0.12 -0.17 0.26 0.00 -2.33 0.00 0.00 43.42 41.30 1occ n LEU 46 CO 0.35 0.44 0.72 0.35 -1.33 0.00 0.00 177.39 177.92 1occ n THR 47 N 0.52 2.32 -4.27 -5.08 -2.24 -0.94 -5.02 114.28 99.58 1occ n THR 47 Ca 0.15 -1.90 -0.17 0.00 -2.27 0.00 0.00 64.05 59.86 1occ n THR 47 Cb 0.35 -0.26 -0.14 0.00 -2.10 0.00 0.00 70.33 68.18 1occ n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1occ s THR 48 N -2.85 0.73 -0.69 4.28 -1.32 -1.26 -5.00 115.64 109.52 1occ s THR 48 Ca 0.43 -0.66 0.26 0.00 -1.21 0.00 0.00 61.69 60.51 1occ s THR 48 Cb 0.35 -0.67 0.26 0.00 -1.51 0.00 0.00 72.50 70.93 1occ s THR 48 CO 0.09 0.02 1.70 0.11 -2.21 0.00 0.00 174.62 174.32 1occ h LYS 49 N 5.39 0.00 -6.81 7.08 1.79 -1.96 -3.46 116.57 118.60 1occ h LYS 49 Ca -0.33 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.61 1occ h LYS 49 Cb 1.19 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.90 1occ h LYS 49 CO 0.46 0.00 0.71 -0.51 -1.08 0.00 0.00 179.45 179.03 1occ s LEU 50 N -4.63 4.40 0.26 2.94 1.43 -1.26 -5.02 118.68 116.80 1occ s LEU 50 Ca 0.10 2.70 0.11 0.00 -1.03 0.00 0.00 54.13 56.00 1occ s LEU 50 Cb 0.12 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 1occ s LEU 50 CO 0.62 -0.65 -0.17 0.42 0.23 0.00 0.00 176.35 176.80 1occ s THR 51 N -0.53 2.23 -0.45 5.49 -4.23 -1.26 -5.06 115.64 111.84 1occ s THR 51 Ca 0.55 -2.33 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 1occ s THR 51 Cb -0.41 -2.26 0.22 0.00 1.34 0.00 0.00 72.50 71.40 1occ s THR 51 CO 0.49 -0.44 0.93 1.57 -0.54 0.00 0.00 174.62 176.63 1occ n HIS 52 N -0.56 -2.58 1.46 3.99 -0.00 -1.26 -5.02 115.22 111.25 1occ n HIS 52 Ca -0.06 -1.25 0.14 0.00 -0.00 0.00 0.00 57.72 56.55 1occ n HIS 52 Cb 0.60 1.38 0.50 0.00 -0.00 0.00 0.00 29.99 32.47 1occ n HIS 52 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1occ n THR 53 N 2.22 0.00 -0.60 3.57 -2.24 -1.26 -4.91 114.28 111.06 1occ n THR 53 Ca 0.11 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1occ n THR 53 Cb 0.62 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1occ n THR 53 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1occ n SER 54 N 0.14 -0.70 -4.77 3.42 3.41 -1.26 -4.98 113.62 108.88 1occ n SER 54 Ca 0.18 -0.60 -0.39 0.00 -0.26 0.00 0.00 58.87 57.80 1occ n SER 54 Cb 0.36 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.28 1occ n SER 54 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1occ s THR 55 N -0.95 3.51 -0.04 6.66 2.01 -1.26 -5.05 115.64 120.51 1occ s THR 55 Ca 0.00 1.34 0.07 0.00 0.31 0.00 0.00 61.69 63.41 1occ s THR 55 Cb 0.00 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1occ s THR 55 CO 0.00 0.19 -0.25 -0.04 -0.69 0.00 0.00 174.62 173.83 1occ s MET 56 N -1.96 2.33 -0.22 4.92 1.00 -1.26 -5.11 119.30 119.00 1occ s MET 56 Ca 0.51 -0.91 -0.29 0.00 0.00 0.00 0.00 55.69 55.00 1occ s MET 56 Cb -0.28 -2.09 0.01 0.00 0.00 0.00 0.00 34.83 32.46 1occ s MET 56 CO 0.36 0.46 1.07 0.34 0.00 0.00 0.00 175.02 177.24 1occ s ASP 57 N -0.36 7.09 0.00 3.03 2.15 -1.26 -5.03 116.67 122.29 1occ s ASP 57 Ca 0.02 1.42 0.00 0.00 0.43 0.00 0.00 52.55 54.43 1occ s ASP 57 Cb -0.12 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1occ s ASP 57 CO 0.02 -0.67 0.00 0.00 -0.17 0.00 0.00 175.17 174.34 1occ n ALA 58 N 6.31 0.00 0.00 3.66 0.00 -1.26 -4.64 120.51 124.58 1occ n ALA 58 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1occ n ALA 58 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1occ n ALA 58 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1occ n GLN 59 N 0.00 0.00 -0.23 0.00 -0.06 -1.26 -4.43 117.38 111.40 1occ n GLN 59 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.97 1occ n GLN 59 Cb 0.00 0.00 0.04 0.00 -4.06 0.00 0.00 30.24 26.22 1occ n GLN 59 CO 0.00 0.00 0.00 1.05 -0.20 0.00 0.00 177.06 177.91 1occ h GLU 60 N 0.00 -0.09 0.00 3.69 -0.00 -2.03 0.17 114.58 116.32 1occ h GLU 60 Ca 0.00 0.01 -0.06 0.00 -0.00 0.00 0.00 59.36 59.31 1occ h GLU 60 Cb 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.76 1occ h GLU 60 CO 0.00 -0.06 -0.54 -0.24 -0.00 0.00 0.00 179.01 178.17 1occ h VAL 61 N -0.09 0.33 -0.09 -1.06 3.04 -1.85 -3.28 116.25 113.25 1occ h VAL 61 Ca 0.28 -1.51 0.03 0.00 -1.01 0.00 0.00 66.70 64.49 1occ h VAL 61 Cb 0.54 2.04 -0.00 0.00 -2.01 0.00 0.00 31.29 31.85 1occ h VAL 61 CO -0.71 0.19 0.13 -0.33 -1.01 0.00 0.00 177.57 175.84 1occ h GLU 62 N 0.00 0.00 0.06 4.17 4.39 -0.98 -2.02 114.58 120.21 1occ h GLU 62 Ca -0.02 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.52 1occ h GLU 62 Cb 1.20 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.86 1occ h GLU 62 CO 0.03 0.00 -0.63 1.79 -1.16 0.00 0.00 179.01 179.03 1occ h THR 63 N 0.00 1.49 -0.12 1.13 1.35 -1.51 -3.11 112.91 112.14 1occ h THR 63 Ca 0.04 -2.27 0.05 0.00 -0.55 0.00 0.00 66.41 63.68 1occ h THR 63 Cb 0.31 2.90 -0.06 0.00 -1.73 0.00 0.00 68.15 69.56 1occ h THR 63 CO -0.00 0.65 -0.32 0.40 -0.25 0.00 0.00 175.52 176.00 1occ h ILE 64 N -0.29 0.29 0.00 6.82 2.04 -1.58 0.16 117.51 124.96 1occ h ILE 64 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1occ h ILE 64 Cb 1.41 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1occ h ILE 64 CO 0.12 0.00 0.00 -2.67 0.00 0.00 0.00 178.15 175.60 1occ n TRP 65 N -5.41 0.00 0.00 1.37 2.14 -1.00 -1.53 117.44 113.01 1occ n TRP 65 Ca -0.03 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.54 1occ n TRP 65 Cb 0.33 -0.02 0.00 0.00 -0.81 0.00 0.00 31.31 30.80 1occ n TRP 65 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1occ n THR 66 N -0.32 0.00 0.09 -1.67 5.66 -0.48 -4.59 114.28 112.97 1occ n THR 66 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1occ n THR 66 Cb 0.06 -0.75 -0.14 0.00 -1.55 0.00 0.00 70.33 67.95 1occ n THR 66 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1occ h ILE 67 N 0.00 1.44 0.45 1.09 5.03 -0.54 -3.18 117.51 121.79 1occ h ILE 67 Ca 0.00 -3.05 -0.02 0.00 -0.12 0.00 0.00 64.86 61.67 1occ h ILE 67 Cb 0.87 2.88 0.00 0.00 -3.03 0.00 0.00 36.82 37.54 1occ h ILE 67 CO 0.00 0.88 -0.22 0.25 -0.68 0.00 0.00 178.15 178.38 1occ h LEU 68 N 0.06 -0.51 -1.95 1.44 5.85 -1.48 -2.04 115.31 116.68 1occ h LEU 68 Ca -0.14 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.61 1occ h LEU 68 Cb 1.95 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 43.10 1occ h LEU 68 CO 0.18 -0.25 0.25 -0.65 -0.34 0.00 0.00 178.44 177.63 1occ h PRO 69 N -0.77 0.06 -0.40 5.25 0.11 -1.81 -0.30 132.00 134.14 1occ h PRO 69 Ca -0.06 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 1occ h PRO 69 Cb 0.54 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 1occ h PRO 69 CO 0.10 0.04 -0.14 0.00 -0.21 0.00 0.00 178.00 177.79 1occ h ALA 70 N 1.82 1.00 -0.16 -0.75 0.00 -1.44 -1.94 119.26 117.79 1occ h ALA 70 Ca 0.17 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1occ h ALA 70 Cb 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1occ h ALA 70 CO -0.01 0.60 -0.40 0.82 0.00 0.00 0.00 179.25 180.25 1occ h ILE 71 N 0.66 1.34 -0.91 0.00 2.04 -0.38 -3.16 117.51 117.11 1occ h ILE 71 Ca 0.11 -1.66 0.06 0.00 1.00 0.00 0.00 64.86 64.37 1occ h ILE 71 Cb 0.62 1.98 -0.06 0.00 -0.74 0.00 0.00 36.82 38.61 1occ h ILE 71 CO 0.04 0.51 0.59 0.40 0.00 0.00 0.00 178.15 179.69 1occ h ILE 72 N 0.20 1.09 -0.28 -0.67 2.04 -1.21 -1.19 117.51 117.49 1occ h ILE 72 Ca -0.00 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1occ h ILE 72 Cb 1.01 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1occ h ILE 72 CO 0.09 0.19 -0.03 -0.07 0.00 0.00 0.00 178.15 178.33 1occ h LEU 73 N 1.06 0.41 -0.34 1.44 3.38 -1.35 -1.82 115.31 118.09 1occ h LEU 73 Ca 0.38 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.20 1occ h LEU 73 Cb 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1occ h LEU 73 CO -0.14 0.50 -0.10 0.40 0.09 0.00 0.00 178.44 179.19 1occ h ILE 74 N 0.42 1.28 -0.08 1.22 2.04 -1.20 0.97 117.51 122.16 1occ h ILE 74 Ca 0.09 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 64.80 1occ h ILE 74 Cb 0.33 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1occ h ILE 74 CO 0.01 0.38 0.21 -0.07 0.00 0.00 0.00 178.15 178.68 1occ h LEU 75 N 0.46 0.00 0.00 1.44 3.38 -0.79 -0.73 115.31 119.06 1occ h LEU 75 Ca 0.08 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.68 1occ h LEU 75 Cb 0.61 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1occ h LEU 75 CO 0.04 0.00 -2.08 -0.38 0.09 0.00 0.00 178.44 176.10 1occ n ILE 76 N -3.27 1.53 -0.15 1.22 5.41 -1.00 -4.47 119.36 118.62 1occ n ILE 76 Ca -0.01 -0.25 -0.04 0.00 1.00 0.00 0.00 62.75 63.45 1occ n ILE 76 Cb 0.29 -1.95 0.02 0.00 -0.71 0.00 0.00 39.64 37.29 1occ n ILE 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1occ h ALA 77 N -0.84 0.16 -0.01 -1.39 0.00 -0.10 -1.95 119.26 115.12 1occ h ALA 77 Ca -0.57 0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1occ h ALA 77 Cb 1.49 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.76 1occ h ALA 77 CO -0.34 -0.54 -0.36 -0.07 0.00 0.00 0.00 179.25 177.94 1occ h LEU 78 N -0.10 -1.11 -0.94 0.00 3.38 -1.40 0.11 115.31 115.25 1occ h LEU 78 Ca 0.23 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.43 1occ h LEU 78 Cb 0.45 0.42 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 1occ h LEU 78 CO -0.55 -0.34 0.58 -0.65 0.09 0.00 0.00 178.44 177.57 1occ h PRO 79 N -0.44 0.91 0.08 1.13 0.11 -1.75 -1.72 132.00 130.33 1occ h PRO 79 Ca 0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1occ h PRO 79 Cb 0.47 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1occ h PRO 79 CO -0.25 0.60 -0.09 1.03 -0.21 0.00 0.00 178.00 179.08 1occ h SER 80 N 0.94 -0.25 -0.79 -2.05 0.87 -0.62 -2.11 113.55 109.53 1occ h SER 80 Ca 0.46 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 61.00 1occ h SER 80 Cb 0.43 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1occ h SER 80 CO -0.26 -0.14 0.31 -0.07 -0.53 0.00 0.00 176.83 176.14 1occ h LEU 81 N -0.20 1.10 0.25 2.23 3.38 -0.34 -0.50 115.31 121.24 1occ h LEU 81 Ca 0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1occ h LEU 81 Cb 0.20 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1occ h LEU 81 CO -0.03 0.98 -0.23 -0.09 0.09 0.00 0.00 178.44 179.16 1occ h ARG 82 N 1.16 -0.49 -0.90 1.13 2.43 -1.14 -1.01 114.38 115.56 1occ h ARG 82 Ca 0.26 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.53 1occ h ARG 82 Cb 0.23 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.83 1occ h ARG 82 CO -0.02 -0.33 0.59 0.82 -1.51 0.00 0.00 179.97 179.52 1occ h ILE 83 N -0.51 1.07 -0.36 1.20 2.04 -1.20 -0.21 117.51 119.54 1occ h ILE 83 Ca -0.01 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.55 1occ h ILE 83 Cb 0.46 -0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 1occ h ILE 83 CO -0.04 0.19 0.07 0.25 0.00 0.00 0.00 178.15 178.62 1occ h LEU 84 N 1.03 0.01 -0.29 1.44 5.85 0.07 -1.50 115.31 121.93 1occ h LEU 84 Ca 0.39 0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.99 1occ h LEU 84 Cb 0.19 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1occ h LEU 84 CO -0.14 0.04 -0.52 1.88 -0.34 0.00 0.00 178.44 179.36 1occ h TYR 85 N 0.20 1.08 -0.87 1.25 0.05 -0.64 -2.89 116.97 115.15 1occ h TYR 85 Ca 0.17 -0.38 0.23 0.00 0.05 0.00 0.00 58.73 58.80 1occ h TYR 85 Cb 0.20 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 37.69 1occ h TYR 85 CO -0.19 1.21 0.61 1.98 -1.05 0.00 0.00 178.16 180.71 1occ h MET 86 N 0.64 0.13 -0.03 4.88 4.05 -0.47 -0.43 114.93 123.71 1occ h MET 86 Ca 0.02 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.34 1occ h MET 86 Cb 1.13 -0.03 0.01 0.00 -0.80 0.00 0.00 31.60 31.90 1occ h MET 86 CO 0.12 0.09 -0.34 0.52 0.23 0.00 0.00 176.91 177.52 1occ h MET 87 N 0.14 0.28 -1.77 0.39 2.86 -1.08 -3.21 114.93 112.53 1occ h MET 87 Ca 0.43 -0.27 -0.32 0.00 -2.06 0.00 0.00 59.70 57.48 1occ h MET 87 Cb 1.47 0.07 -0.13 0.00 0.06 0.00 0.00 31.60 33.07 1occ h MET 87 CO -0.07 0.95 0.28 -0.25 1.06 0.00 0.00 176.91 178.88 1occ n ASP 88 N -4.42 6.21 -4.90 1.22 9.92 -0.21 -4.88 116.55 119.49 1occ n ASP 88 Ca -0.09 -2.97 -0.28 0.00 -0.53 0.00 0.00 54.79 50.91 1occ n ASP 88 Cb 0.53 -1.16 -0.03 0.00 -0.64 0.00 0.00 41.12 39.83 1occ n ASP 88 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1occ s GLU 89 N -1.28 3.63 -0.64 -1.24 2.12 -0.93 -4.97 118.70 115.38 1occ s GLU 89 Ca 0.40 0.05 -0.27 0.00 0.36 0.00 0.00 54.97 55.51 1occ s GLU 89 Cb 0.27 -2.59 -0.01 0.00 0.26 0.00 0.00 34.13 32.06 1occ s GLU 89 CO -0.07 0.14 1.71 0.42 -0.54 0.00 0.00 175.26 176.93 1occ s ILE 90 N -2.20 3.45 0.18 -3.70 1.09 -1.26 -4.95 121.20 113.81 1occ s ILE 90 Ca 0.45 0.26 0.07 0.00 -1.10 0.00 0.00 60.65 60.33 1occ s ILE 90 Cb -0.10 -4.19 -0.04 0.00 -1.06 0.00 0.00 42.46 37.06 1occ s ILE 90 CO 0.32 -1.15 -0.15 0.54 -0.10 0.00 0.00 174.94 174.40 1occ s ASN 91 N 6.99 2.41 -0.31 3.58 2.20 -1.26 -5.12 114.94 123.42 1occ s ASN 91 Ca 0.59 -0.96 0.02 0.00 -0.94 0.00 0.00 52.86 51.57 1occ s ASN 91 Cb -0.11 -0.11 0.08 0.00 -2.00 0.00 0.00 41.25 39.10 1occ s ASN 91 CO 0.19 -0.16 0.00 0.20 -2.94 0.00 0.00 177.10 174.39 1occ s ASN 92 N -3.05 4.73 0.55 3.54 0.01 -1.26 -5.11 114.94 114.35 1occ s ASN 92 Ca 0.18 -1.77 -0.18 0.00 -0.71 0.00 0.00 52.86 50.38 1occ s ASN 92 Cb -0.02 -1.63 -0.05 0.00 0.41 0.00 0.00 41.25 39.95 1occ s ASN 92 CO 0.05 -0.32 1.09 -2.16 -1.51 0.00 0.00 177.10 174.26 1occ s PRO 93 N 1.04 3.39 -0.05 -0.60 0.04 -1.26 -4.89 135.00 132.67 1occ s PRO 93 Ca 0.02 1.45 0.15 0.00 0.04 0.00 0.00 61.00 62.65 1occ s PRO 93 Cb -0.20 -2.03 0.46 0.00 0.04 0.00 0.00 34.50 32.78 1occ s PRO 93 CO -0.06 -0.78 1.39 -1.13 0.04 0.00 0.00 177.00 176.46 1occ n SER 94 N -1.48 3.56 -3.57 6.66 3.41 -0.34 -4.97 113.62 116.89 1occ n SER 94 Ca 0.10 -2.27 -0.11 0.00 -0.26 0.00 0.00 58.87 56.33 1occ n SER 94 Cb 0.52 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 1occ n SER 94 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1occ s LEU 95 N -1.49 -0.41 -0.12 1.04 2.96 -1.25 -5.04 118.68 114.37 1occ s LEU 95 Ca 0.35 0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 54.68 1occ s LEU 95 Cb 0.21 1.94 0.04 0.00 0.50 0.00 0.00 46.19 48.89 1occ s LEU 95 CO 0.18 -0.37 0.02 -0.89 -1.32 0.00 0.00 176.35 173.97 1occ s THR 96 N -1.10 0.38 0.08 3.68 2.01 -1.26 -0.84 115.64 118.58 1occ s THR 96 Ca -0.03 -0.14 0.07 0.00 0.31 0.00 0.00 61.69 61.90 1occ s THR 96 Cb -0.00 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1occ s THR 96 CO 0.03 0.05 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.19 1occ s VAL 97 N 1.95 3.20 0.10 3.82 1.01 -0.29 -4.35 120.40 125.84 1occ s VAL 97 Ca 0.03 -1.21 0.09 0.00 0.00 0.00 0.00 61.98 60.89 1occ s VAL 97 Cb -0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1occ s VAL 97 CO -0.06 0.20 -0.22 -0.54 0.00 0.00 0.00 175.10 174.48 1occ s LYS 98 N -1.90 1.71 -0.01 2.72 1.02 -0.64 -1.47 119.74 121.17 1occ s LYS 98 Ca 0.19 -1.19 0.02 0.00 0.02 0.00 0.00 55.97 55.01 1occ s LYS 98 Cb -0.11 -2.04 -0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1occ s LYS 98 CO 0.10 0.48 -0.07 -0.08 -0.92 0.00 0.00 175.35 174.87 1occ s THR 99 N -1.03 0.58 -0.14 2.17 -1.32 -0.83 -0.51 115.64 114.56 1occ s THR 99 Ca 0.15 -0.31 -0.00 0.00 -1.21 0.00 0.00 61.69 60.32 1occ s THR 99 Cb -0.10 -0.49 0.03 0.00 -1.51 0.00 0.00 72.50 70.43 1occ s THR 99 CO 0.07 0.17 -0.08 -0.04 -2.21 0.00 0.00 174.62 172.53 1occ s MET 100 N -0.13 1.60 0.36 7.08 -1.94 0.85 -2.72 119.30 124.39 1occ s MET 100 Ca 0.02 -0.41 -0.27 0.00 -1.71 0.00 0.00 55.69 53.33 1occ s MET 100 Cb -0.03 -1.83 -0.09 0.00 2.01 0.00 0.00 34.83 34.89 1occ s MET 100 CO -0.00 -0.33 1.19 0.20 -0.01 0.00 0.00 175.02 176.06 1occ s GLY 101 N 1.65 2.94 0.05 -0.03 0.00 -0.23 -1.88 107.32 109.81 1occ s GLY 101 Ca 0.03 1.02 -0.00 0.00 0.00 0.00 0.00 44.72 45.77 1occ s GLY 101 CO -0.08 1.59 -0.04 0.30 0.00 0.00 0.00 173.10 174.87 1occ s HIS 102 N -1.30 0.52 -0.79 1.90 3.76 -0.11 -1.38 115.29 117.88 1occ s HIS 102 Ca 0.52 -0.94 -0.26 0.00 -0.15 0.00 0.00 55.06 54.24 1occ s HIS 102 Cb -0.33 -0.37 -0.11 0.00 1.11 0.00 0.00 32.58 32.89 1occ s HIS 102 CO 0.42 -0.31 2.27 -0.65 -0.85 0.00 0.00 174.74 175.63 1occ s GLN 103 N -3.38 1.91 0.00 1.40 -0.21 -1.26 -1.78 119.66 116.34 1occ s GLN 103 Ca 0.03 0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.76 1occ s GLN 103 Cb 0.04 -4.83 0.00 0.00 1.00 0.00 0.00 33.01 29.22 1occ s GLN 103 CO -0.07 -4.04 0.00 0.91 -2.12 0.00 0.00 175.29 169.96 1occ n TRP 104 N 17.08 0.00 0.00 0.91 8.01 -1.26 -5.07 117.44 137.12 1occ n TRP 104 Ca 0.44 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.63 1occ n TRP 104 Cb 0.45 -0.81 0.00 0.00 -2.01 0.00 0.00 31.31 28.94 1occ n TRP 104 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.69 179.16 1occ n TYR 105 N -1.57 0.00 -4.20 -5.99 0.18 -0.73 -4.79 117.16 100.05 1occ n TYR 105 Ca 0.00 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.50 1occ n TYR 105 Cb 0.35 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.23 1occ n TYR 105 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1occ s TRP 106 N -2.00 2.83 -0.00 -3.48 0.52 -0.98 -0.94 118.94 114.89 1occ s TRP 106 Ca 0.00 -0.13 0.05 0.00 0.02 0.00 0.00 56.10 56.04 1occ s TRP 106 Cb 0.00 -1.41 -0.01 0.00 -1.15 0.00 0.00 33.47 30.89 1occ s TRP 106 CO 0.00 0.49 -0.15 -1.54 0.02 0.00 0.00 176.95 175.77 1occ s SER 107 N -2.65 1.78 0.21 2.95 1.04 -0.79 0.19 113.70 116.43 1occ s SER 107 Ca 0.26 -0.30 0.09 0.00 0.48 0.00 0.00 55.95 56.47 1occ s SER 107 Cb -0.10 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 1occ s SER 107 CO 0.17 0.17 -0.05 -0.31 0.98 0.00 0.00 173.24 174.20 1occ s TYR 108 N -0.42 2.69 -0.15 5.02 1.51 -0.51 -0.10 117.35 125.39 1occ s TYR 108 Ca 0.05 -0.20 -0.04 0.00 -1.01 0.00 0.00 57.07 55.87 1occ s TYR 108 Cb -0.06 -1.27 0.06 0.00 -0.11 0.00 0.00 41.96 40.58 1occ s TYR 108 CO -0.00 0.55 0.10 -1.21 -1.11 0.00 0.00 175.55 173.88 1occ s GLU 109 N -3.14 0.05 -0.39 -0.62 2.02 0.33 -2.25 118.70 114.70 1occ s GLU 109 Ca 0.28 0.06 -0.12 0.00 0.02 0.00 0.00 54.97 55.21 1occ s GLU 109 Cb -0.08 -1.48 0.04 0.00 0.10 0.00 0.00 34.13 32.71 1occ s GLU 109 CO 0.17 -0.60 0.24 0.71 0.02 0.00 0.00 175.26 175.81 1occ s TYR 110 N 2.17 3.26 -0.08 1.61 1.51 0.55 -1.62 117.35 124.75 1occ s TYR 110 Ca 0.03 -1.00 0.13 0.00 -1.01 0.00 0.00 57.07 55.23 1occ s TYR 110 Cb -0.15 -2.59 0.26 0.00 -0.11 0.00 0.00 41.96 39.37 1occ s TYR 110 CO -0.08 -0.68 1.12 0.25 -1.11 0.00 0.00 175.55 175.05 1occ n THR 111 N 5.02 0.99 -0.15 -0.71 -2.24 -1.26 -1.95 114.28 113.99 1occ n THR 111 Ca -0.11 -1.52 -0.07 0.00 -2.27 0.00 0.00 64.05 60.07 1occ n THR 111 Cb 0.45 0.24 0.02 0.00 -2.10 0.00 0.00 70.33 68.94 1occ n THR 111 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1occ h ASP 112 N 0.41 0.50 0.00 3.42 3.32 -1.92 -3.41 116.42 118.74 1occ h ASP 112 Ca -0.05 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1occ h ASP 112 Cb 1.31 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1occ h ASP 112 CO 0.02 0.36 0.00 -1.22 -1.72 0.00 0.00 179.24 176.68 1occ n TYR 113 N -4.79 0.00 -3.96 4.55 4.01 -1.26 -5.07 117.16 110.64 1occ n TYR 113 Ca 0.02 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.52 1occ n TYR 113 Cb 0.04 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 1occ n TYR 113 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1occ s GLU 114 N -0.98 3.41 -1.46 -0.72 2.56 -1.26 -5.02 118.70 115.23 1occ s GLU 114 Ca 0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 54.97 54.19 1occ s GLU 114 Cb 0.00 -2.92 0.04 0.00 2.00 0.00 0.00 34.13 33.25 1occ s GLU 114 CO 0.00 0.49 2.38 -0.25 -0.56 0.00 0.00 175.26 177.31 1occ n ASP 115 N -0.86 5.84 -4.68 -1.70 9.92 -1.26 -4.02 116.55 119.79 1occ n ASP 115 Ca -0.08 -2.85 -0.41 0.00 -0.53 0.00 0.00 54.79 50.92 1occ n ASP 115 Cb 0.55 -1.57 -0.04 0.00 -0.64 0.00 0.00 41.12 39.43 1occ n ASP 115 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1occ s LEU 116 N 0.76 4.21 -0.21 0.64 2.96 -0.82 -4.99 118.68 121.24 1occ s LEU 116 Ca 0.52 1.25 -0.13 0.00 -0.22 0.00 0.00 54.13 55.56 1occ s LEU 116 Cb 0.15 -3.28 0.06 0.00 0.50 0.00 0.00 46.19 43.62 1occ s LEU 116 CO -0.06 -0.36 0.51 -0.94 -1.32 0.00 0.00 176.35 174.18 1occ s SER 117 N 1.09 -0.64 0.28 3.68 1.04 -1.26 -0.33 113.70 117.56 1occ s SER 117 Ca 0.40 1.10 0.03 0.00 0.48 0.00 0.00 55.95 57.96 1occ s SER 117 Cb -0.17 1.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.91 1occ s SER 117 CO 0.15 -0.20 0.17 0.72 0.98 0.00 0.00 173.24 175.05 1occ s PHE 118 N 1.24 1.51 -0.09 5.02 -0.71 -0.95 -4.99 117.98 119.01 1occ s PHE 118 Ca -0.08 -1.41 -0.00 0.00 -1.04 0.00 0.00 56.93 54.40 1occ s PHE 118 Cb -0.06 -0.77 -0.03 0.00 -1.21 0.00 0.00 43.02 40.95 1occ s PHE 118 CO -0.12 -0.59 -0.08 -0.51 -1.34 0.00 0.00 175.22 172.58 1occ s ASP 119 N -3.32 4.55 -0.32 1.98 1.01 -1.26 -1.42 116.67 117.89 1occ s ASP 119 Ca 0.37 -0.09 -0.04 0.00 0.71 0.00 0.00 52.55 53.50 1occ s ASP 119 Cb 0.05 -1.33 0.05 0.00 1.01 0.00 0.00 42.92 42.70 1occ s ASP 119 CO 0.18 0.30 0.05 -0.55 0.21 0.00 0.00 175.17 175.36 1occ s SER 120 N -0.41 5.11 0.13 0.27 0.15 0.13 -4.49 113.70 114.59 1occ s SER 120 Ca 0.06 -1.22 0.10 0.00 0.70 0.00 0.00 55.95 55.59 1occ s SER 120 Cb -0.12 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1occ s SER 120 CO 0.02 -0.30 -0.20 -0.31 1.20 0.00 0.00 173.24 173.66 1occ s TYR 121 N 1.33 2.47 0.27 3.44 1.51 -1.26 -2.32 117.35 122.79 1occ s TYR 121 Ca -0.03 -0.30 -0.29 0.00 -1.01 0.00 0.00 57.07 55.44 1occ s TYR 121 Cb -0.20 -1.30 -0.09 0.00 -0.11 0.00 0.00 41.96 40.26 1occ s TYR 121 CO 0.01 0.40 1.16 1.41 -1.11 0.00 0.00 175.55 177.42 1occ s MET 122 N -2.24 4.55 -0.29 -0.62 -2.45 -1.26 -0.02 119.30 116.97 1occ s MET 122 Ca 0.18 1.91 -0.29 0.00 -1.25 0.00 0.00 55.69 56.24 1occ s MET 122 Cb -0.10 -3.17 0.01 0.00 1.25 0.00 0.00 34.83 32.82 1occ s MET 122 CO 0.10 0.07 1.07 0.42 1.05 0.00 0.00 175.02 177.72 1occ s ILE 123 N -0.95 4.57 0.09 10.11 1.01 0.12 -4.80 121.20 131.36 1occ s ILE 123 Ca 0.47 1.84 -0.36 0.00 0.00 0.00 0.00 60.65 62.60 1occ s ILE 123 Cb -0.34 -4.37 -0.16 0.00 0.01 0.00 0.00 42.46 37.60 1occ s ILE 123 CO 0.43 -0.37 1.38 -2.65 0.00 0.00 0.00 174.94 173.73 1occ n PRO 124 N 6.67 1.31 -0.07 2.79 -0.02 -1.26 -4.77 135.00 139.65 1occ n PRO 124 Ca 0.12 0.47 0.26 0.00 -2.02 0.00 0.00 63.50 62.33 1occ n PRO 124 Cb 0.47 -2.14 0.67 0.00 -0.02 0.00 0.00 33.50 32.48 1occ n PRO 124 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1occ h THR 125 N 3.40 0.27 -0.44 3.45 1.03 -1.93 0.11 112.91 118.80 1occ h THR 125 Ca -0.47 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 65.84 1occ h THR 125 Cb 1.32 0.43 -0.01 0.00 -1.07 0.00 0.00 68.15 68.81 1occ h THR 125 CO 0.80 0.00 -0.07 0.77 -0.01 0.00 0.00 175.52 177.01 1occ h SER 126 N 0.00 0.83 -0.86 0.00 4.64 -1.94 -3.16 113.55 113.06 1occ h SER 126 Ca 0.35 -0.35 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 1occ h SER 126 Cb 1.82 -0.22 -0.25 0.00 -0.31 0.00 0.00 62.40 63.43 1occ h SER 126 CO -0.00 0.98 0.70 -1.84 -0.87 0.00 0.00 176.83 175.79 1occ n GLU 127 N -4.31 2.34 -3.29 4.77 0.28 0.38 -4.94 120.64 115.87 1occ n GLU 127 Ca -0.00 -2.75 -0.39 0.00 -0.16 0.00 0.00 57.16 53.86 1occ n GLU 127 Cb 0.35 -2.08 -0.06 0.00 1.43 0.00 0.00 31.44 31.08 1occ n GLU 127 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1occ s LEU 128 N -3.15 4.52 0.13 -1.84 1.43 -1.20 -4.87 118.68 113.70 1occ s LEU 128 Ca 0.54 1.23 -0.19 0.00 -1.03 0.00 0.00 54.13 54.68 1occ s LEU 128 Cb 0.43 -2.87 -0.07 0.00 0.03 0.00 0.00 46.19 43.71 1occ s LEU 128 CO 0.02 0.27 0.62 -0.54 0.23 0.00 0.00 176.35 176.96 1occ s LYS 129 N -1.06 4.22 0.09 1.70 1.02 -1.26 -4.95 119.74 119.50 1occ s LYS 129 Ca 0.29 0.77 -0.34 0.00 0.02 0.00 0.00 55.97 56.71 1occ s LYS 129 Cb -0.19 -3.11 -0.19 0.00 -0.52 0.00 0.00 37.83 33.82 1occ s LYS 129 CO 0.18 0.55 0.81 -2.30 -0.92 0.00 0.00 175.35 173.68 1occ n PRO 130 N 1.33 0.00 -0.15 -1.68 -0.02 -1.26 -1.04 135.00 132.18 1occ n PRO 130 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1occ n PRO 130 Cb 0.51 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 1occ n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1occ n GLY 131 N 1.73 0.93 3.81 -1.23 0.00 -1.26 -5.05 105.19 104.12 1occ n GLY 131 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1occ n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1occ s GLU 132 N -0.64 4.20 -0.21 1.61 2.02 -0.21 -5.02 118.70 120.45 1occ s GLU 132 Ca 0.00 0.75 -0.29 0.00 0.02 0.00 0.00 54.97 55.45 1occ s GLU 132 Cb 0.00 -3.15 -0.02 0.00 0.10 0.00 0.00 34.13 31.06 1occ s GLU 132 CO 0.00 0.58 1.40 -0.51 0.02 0.00 0.00 175.26 176.75 1occ s LEU 133 N -1.34 4.02 0.10 1.80 1.43 -1.26 -4.90 118.68 118.52 1occ s LEU 133 Ca 0.32 1.56 -0.19 0.00 -1.03 0.00 0.00 54.13 54.80 1occ s LEU 133 Cb -0.19 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 1occ s LEU 133 CO 0.20 -1.01 0.96 -1.14 0.23 0.00 0.00 176.35 175.58 1occ n ARG 134 N 7.17 -0.26 -0.32 1.70 0.63 -1.26 -1.92 116.66 122.40 1occ n ARG 134 Ca 0.16 0.94 0.09 0.00 -0.92 0.00 0.00 57.85 58.11 1occ n ARG 134 Cb 0.45 -1.38 0.21 0.00 0.45 0.00 0.00 32.46 32.19 1occ n ARG 134 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1occ n LEU 135 N -4.69 3.28 -0.00 6.15 4.77 -1.26 -4.35 117.00 120.90 1occ n LEU 135 Ca 0.01 -3.09 0.01 0.00 -0.03 0.00 0.00 56.01 52.91 1occ n LEU 135 Cb 0.16 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1occ n LEU 135 CO -0.10 0.72 -0.55 0.18 -1.33 0.00 0.00 177.39 176.32 1occ n LEU 136 N -0.91 0.00 -4.74 2.23 4.77 -0.81 -4.67 117.00 112.88 1occ n LEU 136 Ca 0.20 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.77 1occ n LEU 136 Cb 0.80 0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.86 1occ n LEU 136 CO 0.10 0.01 0.80 -1.61 -1.33 0.00 0.00 177.39 175.35 1occ s GLU 137 N -2.19 4.58 0.21 3.23 0.41 -1.08 -4.63 118.70 119.23 1occ s GLU 137 Ca -0.01 1.71 0.09 0.00 -0.41 0.00 0.00 54.97 56.35 1occ s GLU 137 Cb 0.02 -3.29 -0.04 0.00 -1.78 0.00 0.00 34.13 29.04 1occ s GLU 137 CO 0.13 0.04 -0.06 0.54 -0.49 0.00 0.00 175.26 175.42 1occ s VAL 138 N -0.09 3.32 0.08 2.63 0.11 -1.26 0.16 120.40 125.35 1occ s VAL 138 Ca 0.50 -1.74 -0.14 0.00 -2.93 0.00 0.00 61.98 57.66 1occ s VAL 138 Cb -0.29 -2.70 -0.15 0.00 -1.53 0.00 0.00 36.38 31.71 1occ s VAL 138 CO 0.34 -0.21 1.30 -2.24 -3.33 0.00 0.00 175.10 170.96 1occ h ASP 139 N 2.51 0.84 -3.67 3.54 3.04 -0.75 -3.42 116.42 118.51 1occ h ASP 139 Ca -0.46 -0.61 -0.68 0.00 -3.24 0.00 0.00 57.03 52.04 1occ h ASP 139 Cb 1.22 -0.25 -0.36 0.00 -1.04 0.00 0.00 39.33 38.91 1occ h ASP 139 CO 0.57 1.31 -0.67 0.20 -2.04 0.00 0.00 179.24 178.61 1occ s ASN 140 N -6.91 4.93 0.58 4.15 0.01 -1.26 -5.02 114.94 111.42 1occ s ASN 140 Ca -0.11 -1.76 -0.17 0.00 -0.71 0.00 0.00 52.86 50.10 1occ s ASN 140 Cb 0.08 -1.71 -0.04 0.00 0.41 0.00 0.00 41.25 39.98 1occ s ASN 140 CO 0.87 -0.38 1.08 -0.13 -1.51 0.00 0.00 177.10 177.03 1occ s ARG 141 N 1.11 3.31 -0.47 -0.60 0.52 -1.26 -4.62 118.95 116.94 1occ s ARG 141 Ca 0.03 1.34 -0.22 0.00 -0.52 0.00 0.00 55.73 56.36 1occ s ARG 141 Cb -0.21 -2.02 0.03 0.00 0.52 0.00 0.00 34.95 33.27 1occ s ARG 141 CO -0.04 -0.83 0.75 0.54 0.02 0.00 0.00 175.30 175.73 1occ s VAL 142 N -2.23 4.69 0.05 3.52 0.11 -0.86 -4.93 120.40 120.75 1occ s VAL 142 Ca 0.66 0.18 -0.22 0.00 -2.93 0.00 0.00 61.98 59.68 1occ s VAL 142 Cb -0.18 -4.32 -0.06 0.00 -1.53 0.00 0.00 36.38 30.29 1occ s VAL 142 CO 0.33 -0.76 0.65 -0.69 -3.33 0.00 0.00 175.10 171.31 1occ s VAL 143 N 3.16 4.76 0.07 2.04 1.01 -1.26 -1.27 120.40 128.92 1occ s VAL 143 Ca 0.26 1.39 -0.12 0.00 0.00 0.00 0.00 61.98 63.51 1occ s VAL 143 Cb -0.14 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1occ s VAL 143 CO 0.20 0.45 0.27 -0.76 0.00 0.00 0.00 175.10 175.25 1occ s LEU 144 N -0.47 1.04 -0.12 3.92 1.43 -0.86 -4.96 118.68 118.66 1occ s LEU 144 Ca 0.33 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 1occ s LEU 144 Cb -0.20 1.29 -0.01 0.00 0.03 0.00 0.00 46.19 47.30 1occ s LEU 144 CO 0.20 -0.70 1.08 -2.16 0.23 0.00 0.00 176.35 175.00 1occ s PRO 145 N -3.27 4.36 1.01 1.29 0.04 -1.26 -2.43 135.00 134.74 1occ s PRO 145 Ca 0.00 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.39 1occ s PRO 145 Cb 0.02 -3.58 0.20 0.00 0.04 0.00 0.00 34.50 31.17 1occ s PRO 145 CO -0.08 -0.43 1.08 0.00 0.04 0.00 0.00 177.00 177.61 1occ s MET 146 N 2.39 0.31 -1.39 4.56 0.23 -0.15 -3.51 119.30 121.74 1occ s MET 146 Ca 0.50 0.86 0.00 0.00 -1.03 0.00 0.00 55.69 56.02 1occ s MET 146 Cb -0.19 -1.70 0.00 0.00 -1.53 0.00 0.00 34.83 31.41 1occ s MET 146 CO 0.16 -2.90 0.00 0.39 -2.03 0.00 0.00 175.02 170.64 1occ n GLU 147 N -4.34 -1.59 -4.31 3.16 4.71 -0.59 -4.78 120.64 112.90 1occ n GLU 147 Ca 0.06 0.78 -0.19 0.00 -0.01 0.00 0.00 57.16 57.80 1occ n GLU 147 Cb 0.55 -5.16 -0.13 0.00 -1.01 0.00 0.00 31.44 25.68 1occ n GLU 147 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1occ s MET 148 N -3.83 0.83 -0.58 3.49 -1.94 -1.23 -5.04 119.30 111.00 1occ s MET 148 Ca 0.00 -0.66 -0.28 0.00 -1.71 0.00 0.00 55.69 53.04 1occ s MET 148 Cb 0.00 -0.80 0.03 0.00 2.01 0.00 0.00 34.83 36.07 1occ s MET 148 CO 0.00 0.20 1.21 0.99 -0.01 0.00 0.00 175.02 177.41 1occ s THR 149 N -0.78 4.00 0.05 2.05 2.01 -1.26 -4.47 115.64 117.23 1occ s THR 149 Ca 0.00 0.89 0.00 0.00 0.31 0.00 0.00 61.69 62.89 1occ s THR 149 Cb -0.07 -4.71 -0.04 0.00 0.01 0.00 0.00 72.50 67.69 1occ s THR 149 CO 0.01 -1.34 0.16 -0.63 -0.69 0.00 0.00 174.62 172.13 1occ s ILE 150 N 5.04 5.12 -0.23 1.82 1.01 -0.42 -1.19 121.20 132.34 1occ s ILE 150 Ca 0.44 -0.44 -0.04 0.00 0.00 0.00 0.00 60.65 60.60 1occ s ILE 150 Cb -0.08 -3.46 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 1occ s ILE 150 CO 0.25 0.19 -0.04 -0.60 0.00 0.00 0.00 174.94 174.74 1occ s ARG 151 N -2.31 3.25 0.01 2.79 3.52 -0.02 -1.31 118.95 124.88 1occ s ARG 151 Ca 0.31 -0.71 -0.07 0.00 -0.13 0.00 0.00 55.73 55.13 1occ s ARG 151 Cb -0.13 -3.02 -0.05 0.00 -1.56 0.00 0.00 34.95 30.19 1occ s ARG 151 CO 0.24 -0.25 0.27 -1.64 -0.81 0.00 0.00 175.30 173.10 1occ s MET 152 N 1.45 3.59 -0.21 5.12 -1.94 0.13 -1.14 119.30 126.30 1occ s MET 152 Ca 0.05 -0.07 -0.00 0.00 -1.71 0.00 0.00 55.69 53.96 1occ s MET 152 Cb -0.15 -3.07 0.06 0.00 2.01 0.00 0.00 34.83 33.67 1occ s MET 152 CO -0.03 0.64 -0.04 -0.51 -0.01 0.00 0.00 175.02 175.07 1occ s LEU 153 N -1.77 2.10 -0.15 -0.03 1.43 -0.54 -1.27 118.68 118.45 1occ s LEU 153 Ca 0.28 -0.99 -0.10 0.00 -1.03 0.00 0.00 54.13 52.28 1occ s LEU 153 Cb -0.13 -1.02 -0.05 0.00 0.03 0.00 0.00 46.19 45.02 1occ s LEU 153 CO 0.16 -0.23 0.20 -0.69 0.23 0.00 0.00 176.35 176.02 1occ s VAL 154 N 1.53 5.38 0.37 -1.59 1.01 0.19 -1.96 120.40 125.34 1occ s VAL 154 Ca -0.03 0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.21 1occ s VAL 154 Cb -0.18 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1occ s VAL 154 CO -0.07 0.49 0.63 -0.55 0.00 0.00 0.00 175.10 175.60 1occ s SER 155 N -0.17 0.58 0.05 3.32 0.15 -1.10 -0.88 113.70 115.65 1occ s SER 155 Ca 0.14 -1.38 -0.02 0.00 0.70 0.00 0.00 55.95 55.39 1occ s SER 155 Cb -0.12 0.76 -0.03 0.00 -1.71 0.00 0.00 66.02 64.92 1occ s SER 155 CO 0.03 -1.51 0.00 -0.55 1.20 0.00 0.00 173.24 172.41 1occ s SER 156 N -3.18 0.37 0.00 5.45 0.15 -1.26 -1.07 113.70 114.17 1occ s SER 156 Ca 0.24 -0.82 0.13 0.00 0.70 0.00 0.00 55.95 56.20 1occ s SER 156 Cb -0.03 0.20 0.31 0.00 -1.71 0.00 0.00 66.02 64.79 1occ s SER 156 CO 0.17 -0.54 1.23 -0.62 1.20 0.00 0.00 173.24 174.68 1occ n GLU 157 N 0.46 2.50 0.00 5.44 1.02 -0.48 -4.08 120.64 125.50 1occ n GLU 157 Ca -0.17 -2.00 0.00 0.00 -0.02 0.00 0.00 57.16 54.98 1occ n GLU 157 Cb 0.60 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 1occ n GLU 157 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1occ n ASP 158 N 0.69 0.00 -3.48 1.62 5.68 -1.26 -5.03 116.55 114.77 1occ n ASP 158 Ca 0.13 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.17 1occ n ASP 158 Cb 0.43 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.60 1occ n ASP 158 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1occ n VAL 159 N 0.00 0.00 -2.70 2.12 0.24 -1.26 -4.51 118.33 112.22 1occ n VAL 159 Ca 0.00 -0.63 -0.34 0.00 -2.04 0.00 0.00 64.34 61.33 1occ n VAL 159 Cb 0.00 -1.42 -0.06 0.00 -1.47 0.00 0.00 33.84 30.89 1occ n VAL 159 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1occ s LEU 160 N 0.00 3.98 0.26 1.34 1.43 -1.26 -4.64 118.68 119.79 1occ s LEU 160 Ca 0.61 1.82 -0.04 0.00 -1.03 0.00 0.00 54.13 55.48 1occ s LEU 160 Cb -0.03 -4.44 -0.02 0.00 0.03 0.00 0.00 46.19 41.72 1occ s LEU 160 CO 0.44 -0.47 0.33 -1.00 0.23 0.00 0.00 176.35 175.88 1occ s HIS 161 N -1.99 0.93 -0.09 0.29 3.76 -0.98 -4.48 115.29 112.72 1occ s HIS 161 Ca 0.62 -1.18 -0.04 0.00 -0.15 0.00 0.00 55.06 54.32 1occ s HIS 161 Cb -0.14 -0.23 0.05 0.00 1.11 0.00 0.00 32.58 33.37 1occ s HIS 161 CO 0.18 -0.88 0.19 0.45 -0.85 0.00 0.00 174.74 173.83 1occ s SER 162 N -3.15 0.30 -0.32 1.40 0.15 -1.26 0.95 113.70 111.76 1occ s SER 162 Ca 0.32 0.40 -0.19 0.00 0.70 0.00 0.00 55.95 57.18 1occ s SER 162 Cb 0.03 0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 64.67 1occ s SER 162 CO 0.14 -0.21 0.56 0.86 1.20 0.00 0.00 173.24 175.80 1occ s TRP 163 N 1.86 3.20 0.04 3.44 -0.00 -0.22 -0.82 118.94 126.44 1occ s TRP 163 Ca -0.02 0.39 0.02 0.00 -0.00 0.00 0.00 56.10 56.49 1occ s TRP 163 Cb -0.12 -2.94 -0.02 0.00 -0.00 0.00 0.00 33.47 30.39 1occ s TRP 163 CO -0.07 -0.49 -0.08 0.00 -0.00 0.00 0.00 176.95 176.32 1occ s ALA 164 N 2.48 0.59 -0.43 5.86 0.00 -1.25 -1.68 121.76 127.33 1occ s ALA 164 Ca 0.22 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.43 1occ s ALA 164 Cb -0.15 0.05 0.17 0.00 0.00 0.00 0.00 23.12 23.19 1occ s ALA 164 CO 0.12 -0.03 0.46 0.08 0.00 0.00 0.00 175.76 176.40 1occ s VAL 165 N -1.48 -0.20 0.29 0.00 1.01 -0.47 -3.26 120.40 116.29 1occ s VAL 165 Ca -0.09 -1.81 -0.01 0.00 0.00 0.00 0.00 61.98 60.07 1occ s VAL 165 Cb -0.09 -0.76 0.41 0.00 0.00 0.00 0.00 36.38 35.94 1occ s VAL 165 CO 0.00 -0.74 1.49 -2.65 0.00 0.00 0.00 175.10 173.21 1occ n PRO 166 N 3.17 -0.08 0.01 2.72 -0.02 -1.26 -0.90 135.00 138.64 1occ n PRO 166 Ca 0.22 1.45 0.12 0.00 -2.02 0.00 0.00 63.50 63.28 1occ n PRO 166 Cb 0.50 -2.26 0.56 0.00 -0.02 0.00 0.00 33.50 32.28 1occ n PRO 166 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1occ h SER 167 N 0.00 0.23 0.09 2.55 0.02 -1.85 0.93 113.55 115.52 1occ h SER 167 Ca 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1occ h SER 167 Cb 1.04 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1occ h SER 167 CO -0.93 0.14 -0.32 0.18 -1.14 0.00 0.00 176.83 174.77 1occ n LEU 168 N -4.46 1.62 -2.30 5.07 4.77 -0.08 -0.56 117.00 121.06 1occ n LEU 168 Ca 0.07 -0.54 -0.12 0.00 -0.03 0.00 0.00 56.01 55.39 1occ n LEU 168 Cb 0.34 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1occ n LEU 168 CO 0.35 0.30 0.11 0.61 -1.33 0.00 0.00 177.39 177.42 1occ n GLY 169 N 1.36 0.06 3.34 -0.72 0.00 0.32 -4.44 105.19 105.12 1occ n GLY 169 Ca 0.12 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1occ n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1occ s LEU 170 N -4.52 2.27 -0.30 0.99 1.43 -1.15 -4.87 118.68 112.52 1occ s LEU 170 Ca 0.20 -0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 1occ s LEU 170 Cb -0.09 -1.13 0.17 0.00 0.03 0.00 0.00 46.19 45.17 1occ s LEU 170 CO 0.41 0.16 1.01 -0.75 0.23 0.00 0.00 176.35 177.42 1occ s LYS 171 N -1.80 0.26 -0.07 1.70 2.20 -1.26 -1.37 119.74 119.41 1occ s LYS 171 Ca 0.11 0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 56.31 1occ s LYS 171 Cb -0.10 0.37 0.04 0.00 -1.51 0.00 0.00 37.83 36.63 1occ s LYS 171 CO 0.04 -0.12 0.14 0.99 -0.36 0.00 0.00 175.35 176.04 1occ s THR 172 N 2.50 -0.16 0.71 3.43 2.01 -0.68 -5.00 115.64 118.45 1occ s THR 172 Ca -0.01 0.29 -0.15 0.00 0.31 0.00 0.00 61.69 62.13 1occ s THR 172 Cb -0.06 -0.25 0.03 0.00 0.01 0.00 0.00 72.50 72.23 1occ s THR 172 CO -0.17 0.12 1.18 -1.81 -0.69 0.00 0.00 174.62 173.26 1occ s ASP 173 N 1.81 4.42 -0.44 3.53 1.11 -1.26 -1.05 116.67 124.79 1occ s ASP 173 Ca -0.02 2.26 -0.04 0.00 0.18 0.00 0.00 52.55 54.93 1occ s ASP 173 Cb -0.12 -2.58 0.12 0.00 1.07 0.00 0.00 42.92 41.41 1occ s ASP 173 CO -0.05 -2.10 0.25 0.00 1.18 0.00 0.00 175.17 174.44 1occ s ALA 174 N -2.09 3.23 -0.23 5.23 0.00 0.27 -4.73 121.76 123.45 1occ s ALA 174 Ca 0.72 -2.63 -0.07 0.00 0.00 0.00 0.00 51.96 49.98 1occ s ALA 174 Cb -0.27 -2.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 1occ s ALA 174 CO 0.44 -1.85 0.07 0.42 0.00 0.00 0.00 175.76 174.84 1occ s ILE 175 N 1.02 4.48 0.41 0.00 1.01 -1.26 -2.33 121.20 124.52 1occ s ILE 175 Ca 0.09 -0.12 -0.24 0.00 0.00 0.00 0.00 60.65 60.38 1occ s ILE 175 Cb -0.23 -3.07 -0.11 0.00 0.01 0.00 0.00 42.46 39.05 1occ s ILE 175 CO -0.04 0.37 0.90 -0.81 0.00 0.00 0.00 174.94 175.36 1occ n PRO 176 N 4.53 1.14 -0.97 2.79 -0.04 -1.26 -0.88 135.00 140.31 1occ n PRO 176 Ca -0.16 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1occ n PRO 176 Cb 0.52 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1occ n PRO 176 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1occ n GLY 177 N 1.34 0.39 3.10 0.55 0.00 -1.26 -4.93 105.19 104.38 1occ n GLY 177 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1occ n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1occ s ARG 178 N -0.63 0.70 -0.46 1.61 3.52 -0.06 -5.11 118.95 118.52 1occ s ARG 178 Ca 0.00 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 1occ s ARG 178 Cb 0.00 -0.61 0.12 0.00 -1.56 0.00 0.00 34.95 32.90 1occ s ARG 178 CO 0.00 0.14 0.23 -0.51 -0.81 0.00 0.00 175.30 174.34 1occ s LEU 179 N -1.38 4.97 0.05 -0.88 1.43 -1.26 -4.27 118.68 117.34 1occ s LEU 179 Ca -0.04 -2.41 -0.19 0.00 -1.03 0.00 0.00 54.13 50.46 1occ s LEU 179 Cb -0.09 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.32 1occ s LEU 179 CO 0.01 -0.41 0.57 0.20 0.23 0.00 0.00 176.35 176.95 1occ s ASN 180 N 0.99 7.04 0.05 2.29 0.01 -0.06 -4.88 114.94 120.38 1occ s ASN 180 Ca 0.12 1.23 0.03 0.00 -0.71 0.00 0.00 52.86 53.53 1occ s ASN 180 Cb -0.22 -2.36 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1occ s ASN 180 CO -0.04 0.24 0.02 -1.58 -1.51 0.00 0.00 177.10 174.23 1occ s GLN 181 N -0.92 2.73 -0.08 -0.60 0.74 -1.26 0.56 119.66 120.82 1occ s GLN 181 Ca 0.29 -0.71 -0.18 0.00 0.05 0.00 0.00 55.36 54.81 1occ s GLN 181 Cb -0.19 -2.64 0.04 0.00 1.10 0.00 0.00 33.01 31.32 1occ s GLN 181 CO 0.18 0.58 0.42 -0.08 -0.55 0.00 0.00 175.29 175.85 1occ s THR 182 N -1.24 0.02 -0.32 -0.34 -1.32 -0.40 -4.97 115.64 107.08 1occ s THR 182 Ca 0.24 -0.21 -0.14 0.00 -1.21 0.00 0.00 61.69 60.37 1occ s THR 182 Cb -0.12 -0.68 -0.02 0.00 -1.51 0.00 0.00 72.50 70.17 1occ s THR 182 CO 0.16 -0.11 0.32 -0.89 -2.21 0.00 0.00 174.62 171.89 1occ s THR 183 N -0.67 5.21 -0.13 5.08 2.01 -1.26 0.20 115.64 126.08 1occ s THR 183 Ca -0.08 0.10 -0.07 0.00 0.31 0.00 0.00 61.69 61.95 1occ s THR 183 Cb -0.04 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1occ s THR 183 CO 0.04 0.00 0.14 -0.22 -0.69 0.00 0.00 174.62 173.90 1occ s LEU 184 N 1.95 4.37 -0.50 4.42 0.20 -0.43 -4.96 118.68 123.73 1occ s LEU 184 Ca 0.11 0.45 0.06 0.00 0.69 0.00 0.00 54.13 55.44 1occ s LEU 184 Cb -0.16 -2.08 0.20 0.00 -0.43 0.00 0.00 46.19 43.71 1occ s LEU 184 CO 0.11 0.38 0.70 0.80 -0.29 0.00 0.00 176.35 178.05 1occ n MET 185 N 2.16 0.54 -2.41 1.98 1.56 -1.26 -1.30 117.12 118.39 1occ n MET 185 Ca -0.19 -2.17 -0.40 0.00 -0.27 0.00 0.00 57.70 54.67 1occ n MET 185 Cb 0.55 -1.49 -0.04 0.00 2.15 0.00 0.00 33.22 34.39 1occ n MET 185 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1occ s SER 186 N 0.25 7.12 -0.24 6.12 0.15 -1.26 -4.50 113.70 121.33 1occ s SER 186 Ca 0.31 2.32 0.14 0.00 0.70 0.00 0.00 55.95 59.42 1occ s SER 186 Cb 0.05 -2.63 0.66 0.00 -1.71 0.00 0.00 66.02 62.40 1occ s SER 186 CO -0.11 -0.26 1.62 -1.54 1.20 0.00 0.00 173.24 174.16 1occ n SER 187 N 0.98 4.51 -3.64 5.45 3.41 -0.60 -1.53 113.62 122.21 1occ n SER 187 Ca -0.00 -3.12 -0.10 0.00 -0.26 0.00 0.00 58.87 55.39 1occ n SER 187 Cb 0.45 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 63.68 1occ n SER 187 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1occ s ARG 188 N -2.90 0.57 0.79 4.33 3.52 -1.26 -4.85 118.95 119.16 1occ s ARG 188 Ca 0.49 0.69 -0.11 0.00 -0.13 0.00 0.00 55.73 56.68 1occ s ARG 188 Cb 0.39 0.28 0.07 0.00 -1.56 0.00 0.00 34.95 34.13 1occ s ARG 188 CO 0.11 -0.07 1.09 -1.25 -0.81 0.00 0.00 175.30 174.38 1occ s PRO 189 N 0.29 2.08 0.00 5.12 0.04 -1.26 -4.91 135.00 136.36 1occ s PRO 189 Ca 0.02 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1occ s PRO 189 Cb -0.05 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1occ s PRO 189 CO -0.05 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 175.63 1occ n GLY 190 N -1.11 0.36 3.23 0.56 0.00 -0.90 -4.94 105.19 102.39 1occ n GLY 190 Ca 0.09 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 1occ n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1occ s LEU 191 N 0.00 2.32 -0.19 0.99 1.43 -1.26 -0.75 118.68 121.23 1occ s LEU 191 Ca 0.00 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1occ s LEU 191 Cb 0.00 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.75 1occ s LEU 191 CO 0.00 0.09 -0.11 -0.31 0.23 0.00 0.00 176.35 176.25 1occ s TYR 192 N 0.79 2.32 0.15 0.29 2.02 0.74 -4.72 117.35 118.94 1occ s TYR 192 Ca -0.07 -1.48 -0.05 0.00 -0.37 0.00 0.00 57.07 55.11 1occ s TYR 192 Cb -0.15 -1.61 -0.06 0.00 -0.40 0.00 0.00 41.96 39.74 1occ s TYR 192 CO -0.00 -0.72 0.38 0.71 -1.57 0.00 0.00 175.55 174.35 1occ s TYR 193 N 1.43 3.47 0.26 2.71 1.51 -1.26 -0.26 117.35 125.21 1occ s TYR 193 Ca 0.00 0.57 -0.12 0.00 -1.01 0.00 0.00 57.07 56.51 1occ s TYR 193 Cb -0.15 -2.02 -0.00 0.00 -0.11 0.00 0.00 41.96 39.68 1occ s TYR 193 CO -0.09 0.43 0.50 0.20 -1.11 0.00 0.00 175.55 175.48 1occ s GLY 194 N -2.43 0.58 0.07 0.71 0.00 0.76 -4.39 107.32 102.62 1occ s GLY 194 Ca 0.41 -0.90 -0.02 0.00 0.00 0.00 0.00 44.72 44.22 1occ s GLY 194 CO 0.24 -0.62 0.01 1.20 0.00 0.00 0.00 173.10 173.93 1occ s GLN 195 N -3.87 0.71 0.03 2.90 -0.21 -1.20 -0.03 119.66 117.98 1occ s GLN 195 Ca 0.22 -1.26 -0.30 0.00 0.02 0.00 0.00 55.36 54.05 1occ s GLN 195 Cb -0.01 0.23 -0.09 0.00 1.00 0.00 0.00 33.01 34.14 1occ s GLN 195 CO 0.10 -0.16 1.98 0.00 -2.12 0.00 0.00 175.29 175.09 1occ n SER 197 N 7.73 7.10 -3.63 0.00 7.64 -0.00 -4.87 113.62 127.59 1occ n SER 197 Ca 0.20 -3.82 -0.03 0.00 1.01 0.00 0.00 58.87 56.23 1occ n SER 197 Cb 0.41 -0.96 -0.06 0.00 -1.01 0.00 0.00 64.21 62.59 1occ n SER 197 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1occ s GLU 198 N -3.97 0.47 0.09 1.43 2.56 -1.26 -4.46 118.70 113.56 1occ s GLU 198 Ca 0.53 0.85 -0.31 0.00 0.00 0.00 0.00 54.97 56.04 1occ s GLU 198 Cb 0.44 0.14 -0.10 0.00 2.00 0.00 0.00 34.13 36.61 1occ s GLU 198 CO -0.34 -0.10 1.90 1.51 -0.56 0.00 0.00 175.26 177.67 1occ n ILE 199 N 4.01 0.55 -2.10 -3.70 3.06 -1.26 -4.65 119.36 115.27 1occ n ILE 199 Ca -0.18 -0.10 0.01 0.00 -2.50 0.00 0.00 62.75 59.98 1occ n ILE 199 Cb 0.57 -2.22 0.01 0.00 0.54 0.00 0.00 39.64 38.55 1occ n ILE 199 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1occ n GLY 201 N 0.07 -0.13 0.29 0.00 0.00 -1.26 -4.77 105.19 99.40 1occ n GLY 201 Ca 0.02 -2.26 0.06 0.00 0.00 0.00 0.00 46.02 43.85 1occ n GLY 201 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1occ h SER 202 N 0.00 -0.46 -0.84 1.61 0.02 -2.02 -2.13 113.55 109.73 1occ h SER 202 Ca 0.00 0.22 -0.51 0.00 -0.84 0.00 0.00 61.79 60.66 1occ h SER 202 Cb 0.00 0.40 -0.27 0.00 0.14 0.00 0.00 62.40 62.67 1occ h SER 202 CO 0.00 -0.22 0.42 0.59 -1.14 0.00 0.00 176.83 176.48 1occ n ASN 203 N -5.41 4.93 -0.35 3.07 4.13 -1.26 -4.68 115.26 115.69 1occ n ASN 203 Ca 0.15 -3.73 0.13 0.00 1.68 0.00 0.00 54.58 52.82 1occ n ASN 203 Cb 0.50 -0.79 0.33 0.00 -1.54 0.00 0.00 39.78 38.28 1occ n ASN 203 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 1occ h HIS 204 N 1.46 1.04 0.00 3.10 -0.00 -1.68 -0.50 115.15 118.57 1occ h HIS 204 Ca 0.52 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.92 1occ h HIS 204 Cb 1.79 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 28.89 1occ h HIS 204 CO 1.35 0.23 0.00 -1.13 -0.00 0.00 0.00 177.93 178.39 1occ n SER 205 N -4.75 0.10 -2.55 3.26 3.41 -1.26 -4.11 113.62 107.72 1occ n SER 205 Ca 0.23 0.51 -0.30 0.00 -0.26 0.00 0.00 58.87 59.05 1occ n SER 205 Cb 0.58 -0.54 0.02 0.00 -0.26 0.00 0.00 64.21 64.01 1occ n SER 205 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1occ n PHE 206 N -1.59 3.24 -3.03 7.33 3.72 -0.20 -4.73 117.46 122.20 1occ n PHE 206 Ca 0.07 -2.82 -0.17 0.00 -0.05 0.00 0.00 57.45 54.47 1occ n PHE 206 Cb 0.34 -0.45 -0.01 0.00 -0.94 0.00 0.00 39.48 38.42 1occ n PHE 206 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1occ n MET 207 N -0.53 0.84 -1.04 -1.08 0.00 -1.25 -4.58 117.12 109.47 1occ n MET 207 Ca 0.44 -2.75 -0.30 0.00 0.00 0.00 0.00 57.70 55.10 1occ n MET 207 Cb 0.58 -1.37 0.23 0.00 0.00 0.00 0.00 33.22 32.65 1occ n MET 207 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1occ s PRO 208 N -0.88 -0.87 -0.06 3.17 0.04 -1.26 -3.68 135.00 131.46 1occ s PRO 208 Ca 0.34 0.14 0.01 0.00 0.04 0.00 0.00 61.00 61.53 1occ s PRO 208 Cb 0.25 -1.62 0.02 0.00 0.04 0.00 0.00 34.50 33.19 1occ s PRO 208 CO -0.12 -3.52 -0.07 0.42 0.04 0.00 0.00 177.00 173.75 1occ s ILE 209 N -2.93 0.75 -0.18 0.56 1.01 0.95 -4.83 121.20 116.54 1occ s ILE 209 Ca 0.69 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 61.10 1occ s ILE 209 Cb -0.13 -0.75 0.05 0.00 0.01 0.00 0.00 42.46 41.63 1occ s ILE 209 CO 0.57 0.28 -0.03 -0.69 0.00 0.00 0.00 174.94 175.07 1occ s VAL 210 N 0.99 1.00 -0.10 2.92 1.01 -1.26 -0.17 120.40 124.80 1occ s VAL 210 Ca -0.09 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1occ s VAL 210 Cb -0.14 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1occ s VAL 210 CO 0.00 0.03 0.47 -0.76 0.00 0.00 0.00 175.10 174.84 1occ s LEU 211 N 1.67 4.30 -0.21 3.92 1.02 0.64 -2.03 118.68 127.99 1occ s LEU 211 Ca -0.00 0.84 0.02 0.00 0.02 0.00 0.00 54.13 55.00 1occ s LEU 211 Cb -0.16 -2.69 0.04 0.00 0.02 0.00 0.00 46.19 43.40 1occ s LEU 211 CO -0.07 0.04 -0.15 -0.70 0.02 0.00 0.00 176.35 175.49 1occ s GLU 212 N 0.40 2.49 -0.30 1.70 2.12 -0.40 -0.18 118.70 124.53 1occ s GLU 212 Ca 0.26 -0.97 -0.06 0.00 0.36 0.00 0.00 54.97 54.56 1occ s GLU 212 Cb -0.15 -2.60 0.02 0.00 0.26 0.00 0.00 34.13 31.66 1occ s GLU 212 CO 0.11 -0.37 0.06 -0.51 -0.54 0.00 0.00 175.26 174.01 1occ s LEU 213 N 1.27 3.84 0.40 2.70 1.02 0.08 -2.02 118.68 125.97 1occ s LEU 213 Ca -0.01 -0.83 0.05 0.00 0.02 0.00 0.00 54.13 53.37 1occ s LEU 213 Cb -0.16 -1.84 -0.07 0.00 0.02 0.00 0.00 46.19 44.14 1occ s LEU 213 CO -0.09 -0.21 0.03 0.68 0.02 0.00 0.00 176.35 176.78 1occ s VAL 214 N 1.45 1.61 0.68 -1.59 -7.23 -1.02 -2.11 120.40 112.19 1occ s VAL 214 Ca 0.01 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.03 1occ s VAL 214 Cb -0.18 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 33.96 1occ s VAL 214 CO 0.01 0.00 1.13 -2.84 -0.31 0.00 0.00 175.10 173.10 1occ s PRO 215 N -3.78 2.64 0.20 4.82 0.02 -1.26 -0.98 135.00 136.66 1occ s PRO 215 Ca 0.32 1.47 -0.21 0.00 0.02 0.00 0.00 61.00 62.60 1occ s PRO 215 Cb 0.08 -1.92 0.15 0.00 0.02 0.00 0.00 34.50 32.83 1occ s PRO 215 CO 0.15 -1.39 1.56 1.25 -0.33 0.00 0.00 177.00 178.24 1occ h LEU 216 N -0.06 -1.52 -0.72 -5.54 6.46 -1.93 -0.31 115.31 111.70 1occ h LEU 216 Ca -0.47 0.29 0.10 0.00 -0.12 0.00 0.00 57.88 57.68 1occ h LEU 216 Cb 1.26 0.75 -0.12 0.00 -0.73 0.00 0.00 40.66 41.82 1occ h LEU 216 CO 0.53 -0.29 -0.45 0.50 -0.62 0.00 0.00 178.44 178.11 1occ h LYS 217 N -0.06 -0.15 0.00 1.25 3.64 -2.00 0.36 116.57 119.61 1occ h LYS 217 Ca 0.28 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1occ h LYS 217 Cb 0.56 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1occ h LYS 217 CO -0.89 -0.10 -0.34 1.88 -2.27 0.00 0.00 179.45 177.73 1occ h TYR 218 N -0.15 0.00 0.30 1.91 -1.99 -1.63 -2.74 116.97 112.66 1occ h TYR 218 Ca 0.21 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.92 1occ h TYR 218 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.28 1occ h TYR 218 CO -0.79 0.34 -0.14 0.35 -0.00 0.00 0.00 178.16 177.92 1occ h PHE 219 N 0.00 -0.37 -0.49 4.88 3.57 0.13 -1.45 116.94 123.21 1occ h PHE 219 Ca -0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1occ h PHE 219 Cb 0.71 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1occ h PHE 219 CO 0.00 -0.15 0.19 1.05 -2.23 0.00 0.00 178.31 177.18 1occ h GLU 220 N -0.52 0.70 -0.21 1.11 4.11 -0.82 0.63 114.58 119.58 1occ h GLU 220 Ca -0.04 -0.10 -0.15 0.00 0.07 0.00 0.00 59.36 59.14 1occ h GLU 220 Cb 0.39 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1occ h GLU 220 CO 0.07 0.58 -0.48 0.87 0.07 0.00 0.00 179.01 180.11 1occ h LYS 221 N 0.69 0.55 0.24 1.06 1.57 -1.44 -2.09 116.57 117.14 1occ h LYS 221 Ca 0.17 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1occ h LYS 221 Cb 0.14 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1occ h LYS 221 CO -0.02 0.91 -0.11 2.35 -0.57 0.00 0.00 179.45 182.01 1occ h TRP 222 N 0.44 -0.30 -0.80 -1.35 7.01 -0.56 -1.80 115.95 118.59 1occ h TRP 222 Ca 0.02 -0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.20 1occ h TRP 222 Cb 1.00 0.10 -0.12 0.00 -2.10 0.00 0.00 29.16 28.04 1occ h TRP 222 CO 0.04 -0.13 0.23 1.03 -2.79 0.00 0.00 178.44 176.83 1occ h SER 223 N -0.40 0.08 -0.04 2.65 0.87 -0.71 -1.43 113.55 114.57 1occ h SER 223 Ca -0.03 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1occ h SER 223 Cb 0.30 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1occ h SER 223 CO 0.05 -0.04 -0.04 0.00 -0.53 0.00 0.00 176.83 176.27 1occ h ALA 224 N 1.66 0.06 0.00 6.23 0.00 -1.19 -2.55 119.26 123.47 1occ h ALA 224 Ca 0.47 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1occ h ALA 224 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1occ h ALA 224 CO -0.54 -0.16 0.00 -1.13 0.00 0.00 0.00 179.25 177.42 1occ n SER 225 N -4.78 0.00 -0.00 0.00 3.41 -0.69 -0.43 113.62 111.13 1occ n SER 225 Ca -0.08 0.46 0.12 0.00 -0.26 0.00 0.00 58.87 59.11 1occ n SER 225 Cb 0.28 -0.47 0.18 0.00 -0.26 0.00 0.00 64.21 63.94 1occ n SER 225 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1occ n MET 226 N -1.47 0.00 0.00 4.33 1.56 -0.60 -5.09 117.12 115.85 1occ n MET 226 Ca 0.01 -0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 1occ n MET 226 Cb 0.04 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 33.91 1occ n MET 226 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52