#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oco s ALA 2 N 0.00 3.82 0.27 3.17 0.00 -1.26 -4.77 121.76 122.98 1oco s ALA 2 Ca 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.24 1oco s ALA 2 Cb 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1oco s ALA 2 CO 0.00 0.72 0.13 1.52 0.00 0.00 0.00 175.76 178.13 1oco s TYR 3 N -1.27 2.94 0.40 0.00 1.13 -1.26 -5.08 117.35 114.21 1oco s TYR 3 Ca 0.25 -0.17 -0.27 0.00 -1.41 0.00 0.00 57.07 55.47 1oco s TYR 3 Cb -0.12 -1.36 -0.10 0.00 -1.10 0.00 0.00 41.96 39.27 1oco s TYR 3 CO 0.16 0.53 1.38 -2.30 -2.51 0.00 0.00 175.55 172.82 1oco n PRO 4 N -1.09 2.29 -3.51 -3.49 -0.02 -1.26 -3.05 135.00 124.87 1oco n PRO 4 Ca -0.07 0.81 -0.21 0.00 -2.02 0.00 0.00 63.50 62.01 1oco n PRO 4 Cb 0.58 -2.52 0.08 0.00 -0.02 0.00 0.00 33.50 31.62 1oco n PRO 4 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1oco n MET 5 N 0.23 -7.34 -3.06 -0.52 1.56 -1.26 -5.00 117.12 101.74 1oco n MET 5 Ca 0.04 0.80 -0.34 0.00 -0.27 0.00 0.00 57.70 57.93 1oco n MET 5 Cb 0.39 -5.74 -0.06 0.00 2.15 0.00 0.00 33.22 29.96 1oco n MET 5 CO 0.00 0.00 0.00 -1.14 -0.73 0.00 0.00 175.97 174.10 1oco s GLN 6 N -6.03 4.17 -0.12 2.12 0.74 -1.17 -5.01 119.66 114.36 1oco s GLN 6 Ca 0.43 0.85 -0.08 0.00 0.05 0.00 0.00 55.36 56.62 1oco s GLN 6 Cb -0.19 -2.60 -0.06 0.00 1.10 0.00 0.00 33.01 31.27 1oco s GLN 6 CO 0.70 0.23 -0.18 1.28 -0.55 0.00 0.00 175.29 176.77 1oco n LEU 7 N 0.09 1.11 0.00 3.68 4.32 -1.26 -5.10 117.00 119.84 1oco n LEU 7 Ca 0.02 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.19 1oco n LEU 7 Cb 0.52 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 1oco n LEU 7 CO 0.42 0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.33 1oco n GLY 8 N 2.18 1.67 3.73 -0.72 0.00 -1.26 -5.09 105.19 105.70 1oco n GLY 8 Ca -0.24 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.43 1oco n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oco s PHE 9 N 1.69 2.19 0.68 1.61 0.08 -1.26 -5.01 117.98 117.96 1oco s PHE 9 Ca 0.00 1.60 -0.14 0.00 0.12 0.00 0.00 56.93 58.51 1oco s PHE 9 Cb 0.00 -3.37 0.01 0.00 -0.57 0.00 0.00 43.02 39.09 1oco s PHE 9 CO 0.00 -2.35 1.11 -0.65 -0.10 0.00 0.00 175.22 173.23 1oco s GLN 10 N -4.03 2.70 0.28 0.44 -0.21 -1.26 -4.93 119.66 112.64 1oco s GLN 10 Ca 0.71 1.36 -0.30 0.00 0.02 0.00 0.00 55.36 57.16 1oco s GLN 10 Cb -0.26 -1.94 -0.11 0.00 1.00 0.00 0.00 33.01 31.70 1oco s GLN 10 CO 0.45 -1.33 1.54 -0.51 -2.12 0.00 0.00 175.29 173.33 1oco s ASP 11 N -2.70 6.46 -0.12 5.90 1.11 -1.26 -4.83 116.67 121.24 1oco s ASP 11 Ca 0.66 2.86 -0.29 0.00 0.18 0.00 0.00 52.55 55.96 1oco s ASP 11 Cb -0.20 -2.63 -0.06 0.00 1.07 0.00 0.00 42.92 41.10 1oco s ASP 11 CO 0.44 -0.84 1.96 0.00 1.18 0.00 0.00 175.17 177.90 1oco s ALA 12 N -0.02 3.21 -0.62 5.23 0.00 -1.26 -4.70 121.76 123.59 1oco s ALA 12 Ca 0.62 0.91 0.24 0.00 0.00 0.00 0.00 51.96 53.73 1oco s ALA 12 Cb -0.46 -3.93 0.27 0.00 0.00 0.00 0.00 23.12 19.00 1oco s ALA 12 CO 0.47 -2.09 1.24 2.41 0.00 0.00 0.00 175.76 177.79 1oco n THR 13 N 6.53 0.32 -4.32 0.00 -1.04 -0.01 -4.86 114.28 110.90 1oco n THR 13 Ca 0.23 -0.27 -0.17 0.00 -2.04 0.00 0.00 64.05 61.80 1oco n THR 13 Cb 0.44 -0.05 -0.10 0.00 -1.82 0.00 0.00 70.33 68.79 1oco n THR 13 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1oco s SER 14 N -4.18 1.71 0.28 8.00 1.04 -1.25 -2.56 113.70 116.72 1oco s SER 14 Ca 0.05 -1.23 -0.02 0.00 0.48 0.00 0.00 55.95 55.23 1oco s SER 14 Cb 0.14 0.04 0.38 0.00 0.10 0.00 0.00 66.02 66.67 1oco s SER 14 CO 0.74 -0.54 1.83 1.55 0.98 0.00 0.00 173.24 177.79 1oco h PRO 15 N 2.48 0.87 -0.38 4.02 0.13 -1.91 -2.72 132.00 134.49 1oco h PRO 15 Ca -0.38 -0.17 -0.12 0.00 -0.87 0.00 0.00 66.00 64.46 1oco h PRO 15 Cb 1.22 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1oco h PRO 15 CO 0.64 0.76 -0.26 -0.84 -0.23 0.00 0.00 178.00 178.08 1oco h ILE 16 N 0.84 1.27 0.00 -3.56 -0.00 -1.93 -1.14 117.51 112.99 1oco h ILE 16 Ca 0.19 -1.39 -0.03 0.00 -0.00 0.00 0.00 64.86 63.63 1oco h ILE 16 Cb 0.28 1.26 -0.00 0.00 -0.00 0.00 0.00 36.82 38.35 1oco h ILE 16 CO -0.00 0.46 -0.13 -0.03 -0.00 0.00 0.00 178.15 178.44 1oco h MET 17 N 0.67 0.00 -0.03 0.16 4.05 -1.66 0.56 114.93 118.68 1oco h MET 17 Ca 0.09 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.40 1oco h MET 17 Cb 0.78 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.59 1oco h MET 17 CO 0.06 0.13 -0.40 0.93 0.23 0.00 0.00 176.91 177.87 1oco h GLU 18 N 0.00 0.33 -0.81 0.39 5.08 -1.14 -2.58 114.58 115.85 1oco h GLU 18 Ca -0.00 -0.31 0.17 0.00 -1.00 0.00 0.00 59.36 58.22 1oco h GLU 18 Cb 0.32 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.54 1oco h GLU 18 CO 0.02 0.98 0.34 1.49 -1.00 0.00 0.00 179.01 180.83 1oco h GLU 19 N -0.21 0.44 -0.27 2.33 4.57 -0.30 -0.16 114.58 120.97 1oco h GLU 19 Ca -0.04 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 57.98 1oco h GLU 19 Cb 1.09 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 1oco h GLU 19 CO 0.08 0.29 -0.39 -0.07 -1.18 0.00 0.00 179.01 177.74 1oco h LEU 20 N 0.45 0.67 -0.18 1.64 3.38 -0.93 -1.88 115.31 118.45 1oco h LEU 20 Ca 0.46 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1oco h LEU 20 Cb 0.76 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1oco h LEU 20 CO -0.44 0.98 0.05 -0.07 0.09 0.00 0.00 178.44 179.05 1oco h LEU 21 N 0.52 0.04 -0.61 1.67 3.38 -0.62 0.16 115.31 119.84 1oco h LEU 21 Ca 0.05 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1oco h LEU 21 Cb 0.90 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1oco h LEU 21 CO 0.08 0.05 0.28 0.45 0.09 0.00 0.00 178.44 179.39 1oco h HIS 22 N 0.13 0.89 0.23 1.13 3.86 -1.26 -0.26 115.15 119.87 1oco h HIS 22 Ca 0.08 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1oco h HIS 22 Cb 0.07 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.26 1oco h HIS 22 CO -0.13 0.69 -0.11 0.35 0.86 0.00 0.00 177.93 179.59 1oco h PHE 23 N 0.84 -0.29 -0.74 2.45 3.57 -0.97 -0.88 116.94 120.91 1oco h PHE 23 Ca 0.21 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.84 1oco h PHE 23 Cb 0.14 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 1oco h PHE 23 CO 0.00 -0.15 0.50 1.25 -2.23 0.00 0.00 178.31 177.68 1oco h HIS 24 N -0.35 0.49 -0.42 0.41 2.76 -0.45 0.13 115.15 117.71 1oco h HIS 24 Ca -0.03 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.08 1oco h HIS 24 Cb 0.27 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 1oco h HIS 24 CO -0.05 0.19 0.00 -0.44 -1.30 0.00 0.00 177.93 176.33 1oco h ASP 25 N 0.42 0.74 0.78 3.26 3.32 -0.25 0.14 116.42 124.84 1oco h ASP 25 Ca 0.36 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1oco h ASP 25 Cb 0.82 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.18 1oco h ASP 25 CO -0.12 0.86 -0.38 -0.74 -1.72 0.00 0.00 179.24 177.15 1oco h HIS 26 N 0.59 -0.98 -0.59 4.55 -0.00 0.34 -0.92 115.15 118.14 1oco h HIS 26 Ca 0.12 -0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.56 1oco h HIS 26 Cb 0.49 0.32 -0.07 0.00 -0.00 0.00 0.00 27.41 28.15 1oco h HIS 26 CO 0.04 -0.60 0.21 1.15 -0.00 0.00 0.00 177.93 178.73 1oco h THR 27 N -1.07 0.78 -0.35 6.26 2.02 -0.81 -2.06 112.91 117.68 1oco h THR 27 Ca -0.11 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 1oco h THR 27 Cb 0.81 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1oco h THR 27 CO 0.18 0.07 0.05 0.25 0.37 0.00 0.00 175.52 176.43 1oco h LEU 28 N 0.39 0.48 -0.28 2.58 5.85 -0.58 -1.30 115.31 122.46 1oco h LEU 28 Ca 0.30 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1oco h LEU 28 Cb 0.36 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1oco h LEU 28 CO -0.30 0.52 0.18 -0.03 -0.34 0.00 0.00 178.44 178.46 1oco h MET 29 N 0.51 0.35 -0.24 1.25 4.05 -0.45 -1.64 114.93 118.75 1oco h MET 29 Ca 0.11 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1oco h MET 29 Cb 0.26 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1oco h MET 29 CO 0.00 0.23 0.10 0.82 0.23 0.00 0.00 176.91 178.29 1oco h ILE 30 N 0.36 1.16 0.00 1.77 2.04 -1.05 -1.16 117.51 120.64 1oco h ILE 30 Ca 0.10 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1oco h ILE 30 Cb -0.03 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1oco h ILE 30 CO -0.03 0.16 -0.10 -0.37 0.00 0.00 0.00 178.15 177.81 1oco h VAL 31 N 0.24 0.97 -0.38 1.67 -1.51 -1.11 -0.93 116.25 115.20 1oco h VAL 31 Ca 0.08 -0.35 -0.10 0.00 -1.23 0.00 0.00 66.70 65.10 1oco h VAL 31 Cb 0.16 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 1oco h VAL 31 CO -0.01 0.10 -0.16 -0.26 -1.23 0.00 0.00 177.57 176.01 1oco h PHE 32 N 0.00 0.89 0.79 5.19 0.04 -0.61 0.36 116.94 123.61 1oco h PHE 32 Ca -0.00 -0.21 -0.04 0.00 2.80 0.00 0.00 57.97 60.52 1oco h PHE 32 Cb 0.19 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1oco h PHE 32 CO 0.00 0.95 -0.44 1.25 -0.60 0.00 0.00 178.31 179.47 1oco h LEU 33 N 0.58 -1.08 -0.05 1.54 6.46 -0.16 -1.81 115.31 120.78 1oco h LEU 33 Ca 0.09 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.92 1oco h LEU 33 Cb 0.70 0.30 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 1oco h LEU 33 CO 0.05 -0.70 -0.08 0.40 -0.62 0.00 0.00 178.44 177.48 1oco h ILE 34 N -1.14 0.77 0.00 4.05 1.08 -1.18 -0.82 117.51 120.27 1oco h ILE 34 Ca -0.11 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.34 1oco h ILE 34 Cb 0.90 0.77 -0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1oco h ILE 34 CO 0.14 0.00 -0.13 0.77 -0.69 0.00 0.00 178.15 178.24 1oco h SER 35 N -0.12 0.00 0.84 1.72 4.64 -0.92 -1.36 113.55 118.35 1oco h SER 35 Ca 0.05 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.14 1oco h SER 35 Cb 0.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1oco h SER 35 CO -0.12 0.13 -1.20 0.77 -0.87 0.00 0.00 176.83 175.54 1oco h SER 36 N 0.00 0.03 -0.15 4.97 4.64 -0.82 -3.06 113.55 119.16 1oco h SER 36 Ca -0.00 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1oco h SER 36 Cb 0.41 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1oco h SER 36 CO 0.02 1.03 -0.00 0.25 -0.87 0.00 0.00 176.83 177.25 1oco h LEU 37 N 0.01 0.26 -2.15 5.97 5.85 -0.58 -1.19 115.31 123.47 1oco h LEU 37 Ca -0.09 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1oco h LEU 37 Cb 1.85 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.81 1oco h LEU 37 CO 0.12 0.51 -0.02 0.58 -0.34 0.00 0.00 178.44 179.29 1oco h VAL 38 N -0.00 0.07 0.05 1.05 2.07 -1.36 -0.10 116.25 118.04 1oco h VAL 38 Ca 0.04 -0.31 -0.31 0.00 0.82 0.00 0.00 66.70 66.94 1oco h VAL 38 Cb 0.38 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1oco h VAL 38 CO 0.01 0.02 -1.74 0.25 0.02 0.00 0.00 177.57 176.12 1oco h LEU 39 N 0.00 0.17 0.31 2.57 5.85 -1.40 -3.05 115.31 119.77 1oco h LEU 39 Ca -0.00 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1oco h LEU 39 Cb 0.28 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1oco h LEU 39 CO 0.00 1.31 -0.15 0.22 -0.34 0.00 0.00 178.44 179.49 1oco h TYR 40 N 0.03 -0.38 -0.94 1.25 5.03 -0.61 -2.75 116.97 118.61 1oco h TYR 40 Ca -0.31 -0.01 0.16 0.00 2.58 0.00 0.00 58.73 61.15 1oco h TYR 40 Cb 2.01 0.13 -0.08 0.00 1.55 0.00 0.00 36.73 40.34 1oco h TYR 40 CO 0.03 -0.03 0.60 0.82 -1.32 0.00 0.00 178.16 178.25 1oco h ILE 41 N -0.82 0.79 -0.32 1.81 1.08 -1.19 -1.04 117.51 117.82 1oco h ILE 41 Ca -0.04 -0.24 -0.03 0.00 -0.39 0.00 0.00 64.86 64.15 1oco h ILE 41 Cb 0.52 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 1oco h ILE 41 CO 0.07 0.13 0.07 0.40 -0.69 0.00 0.00 178.15 178.13 1oco h ILE 42 N 0.71 1.22 0.00 -0.67 2.04 -1.51 -1.26 117.51 118.04 1oco h ILE 42 Ca 0.49 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 1oco h ILE 42 Cb 0.80 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1oco h ILE 42 CO -0.25 0.25 -0.34 0.77 0.00 0.00 0.00 178.15 178.59 1oco h SER 43 N 0.36 0.00 0.26 1.72 4.64 -1.06 -2.23 113.55 117.23 1oco h SER 43 Ca 0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1oco h SER 43 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1oco h SER 43 CO 0.00 0.34 -0.12 0.25 -0.87 0.00 0.00 176.83 176.43 1oco h LEU 44 N 0.00 -0.29 -1.86 5.97 5.85 -0.99 -2.11 115.31 121.88 1oco h LEU 44 Ca -0.00 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.68 1oco h LEU 44 Cb 0.81 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1oco h LEU 44 CO 0.04 -0.01 0.34 0.24 -0.34 0.00 0.00 178.44 178.71 1oco h MET 45 N -0.58 0.15 -0.39 1.25 2.86 -0.95 -1.00 114.93 116.26 1oco h MET 45 Ca -0.04 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1oco h MET 45 Cb 0.42 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1oco h MET 45 CO 0.06 0.10 0.00 1.28 1.06 0.00 0.00 176.91 179.41 1oco n LEU 46 N -4.44 3.14 -1.14 1.22 4.77 -0.86 -4.50 117.00 115.19 1oco n LEU 46 Ca 0.08 -1.38 -0.03 0.00 -0.03 0.00 0.00 56.01 54.65 1oco n LEU 46 Cb 0.45 -0.25 0.21 0.00 -2.33 0.00 0.00 43.42 41.49 1oco n LEU 46 CO 0.35 0.69 0.71 0.35 -1.33 0.00 0.00 177.39 178.16 1oco n THR 47 N 1.27 2.53 -4.03 -5.08 -2.24 -0.38 -5.01 114.28 101.33 1oco n THR 47 Ca 0.19 -2.61 -0.12 0.00 -2.27 0.00 0.00 64.05 59.24 1oco n THR 47 Cb 0.55 -0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 68.34 1oco n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1oco s THR 48 N -3.19 0.35 -0.75 4.28 -1.32 -1.26 -5.02 115.64 108.73 1oco s THR 48 Ca 0.44 -0.82 0.25 0.00 -1.21 0.00 0.00 61.69 60.35 1oco s THR 48 Cb 0.40 -0.42 0.11 0.00 -1.51 0.00 0.00 72.50 71.08 1oco s THR 48 CO 0.01 -0.32 1.49 0.29 -2.21 0.00 0.00 174.62 173.88 1oco n LYS 49 N 1.84 0.21 -1.86 7.08 4.76 -1.26 -4.89 118.16 124.05 1oco n LYS 49 Ca -0.21 0.09 -0.41 0.00 -2.87 0.00 0.00 58.31 54.91 1oco n LYS 49 Cb 0.56 -1.67 -0.01 0.00 -1.84 0.00 0.00 35.03 32.07 1oco n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1oco s LEU 50 N -4.00 4.34 0.09 -0.35 1.43 -1.26 -5.01 118.68 113.93 1oco s LEU 50 Ca 0.09 2.96 0.07 0.00 -1.03 0.00 0.00 54.13 56.21 1oco s LEU 50 Cb 0.14 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 1oco s LEU 50 CO 0.67 -0.82 -0.17 0.42 0.23 0.00 0.00 176.35 176.68 1oco s THR 51 N -0.84 1.42 -0.46 5.49 -4.23 -1.26 -5.07 115.64 110.69 1oco s THR 51 Ca 0.55 -1.47 0.06 0.00 -1.18 0.00 0.00 61.69 59.65 1oco s THR 51 Cb -0.45 -1.36 0.18 0.00 1.34 0.00 0.00 72.50 72.21 1oco s THR 51 CO 0.58 -0.17 0.59 -2.28 -0.54 0.00 0.00 174.62 172.80 1oco s HIS 52 N -1.32 -1.03 -1.75 3.99 5.04 -1.26 -5.01 115.29 113.95 1oco s HIS 52 Ca 0.03 -0.70 0.25 0.00 -1.54 0.00 0.00 55.06 53.11 1oco s HIS 52 Cb -0.09 0.02 0.46 0.00 0.04 0.00 0.00 32.58 33.01 1oco s HIS 52 CO 0.03 -1.14 1.38 0.25 -2.34 0.00 0.00 174.74 172.92 1oco n THR 53 N 3.46 0.00 -1.18 0.89 -2.24 -1.26 -4.94 114.28 109.00 1oco n THR 53 Ca 0.17 -0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.51 1oco n THR 53 Cb 0.53 0.67 0.18 0.00 -2.10 0.00 0.00 70.33 69.61 1oco n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1oco s SER 54 N -2.56 2.64 0.27 3.42 1.04 -1.26 -4.93 113.70 112.32 1oco s SER 54 Ca 0.21 1.18 -0.30 0.00 0.48 0.00 0.00 55.95 57.51 1oco s SER 54 Cb 0.19 -1.84 -0.12 0.00 0.10 0.00 0.00 66.02 64.35 1oco s SER 54 CO 0.57 -3.12 1.60 0.41 0.98 0.00 0.00 173.24 173.67 1oco n THR 55 N -4.17 0.86 -4.21 2.02 -1.04 -1.26 -5.01 114.28 101.47 1oco n THR 55 Ca 0.05 -0.21 -0.28 0.00 -2.04 0.00 0.00 64.05 61.57 1oco n THR 55 Cb 0.57 -1.92 -0.08 0.00 -1.82 0.00 0.00 70.33 67.08 1oco n THR 55 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1oco s MET 56 N -0.25 2.33 -0.28 -2.82 1.00 -1.26 -5.10 119.30 112.92 1oco s MET 56 Ca 0.66 -1.06 -0.20 0.00 0.00 0.00 0.00 55.69 55.09 1oco s MET 56 Cb -0.51 -2.36 -0.02 0.00 0.00 0.00 0.00 34.83 31.94 1oco s MET 56 CO 0.46 0.48 0.60 0.34 0.00 0.00 0.00 175.02 176.90 1oco s ASP 57 N -2.68 6.50 0.04 3.03 2.15 -1.26 -5.05 116.67 119.40 1oco s ASP 57 Ca 0.26 0.52 0.00 0.00 0.43 0.00 0.00 52.55 53.75 1oco s ASP 57 Cb -0.10 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1oco s ASP 57 CO 0.17 -0.41 0.00 0.00 -0.17 0.00 0.00 175.17 174.76 1oco n ALA 58 N 5.76 0.00 0.00 3.66 0.00 -1.26 -4.62 120.51 124.04 1oco n ALA 58 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1oco n ALA 58 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1oco n ALA 58 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1oco n GLN 59 N -0.06 0.00 -0.28 0.00 -0.06 -1.26 -4.45 117.38 111.28 1oco n GLN 59 Ca 0.00 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.09 1oco n GLN 59 Cb 0.00 0.00 0.22 0.00 -4.06 0.00 0.00 30.24 26.40 1oco n GLN 59 CO 0.00 0.00 0.00 1.05 -0.20 0.00 0.00 177.06 177.91 1oco h GLU 60 N 0.00 0.15 0.00 3.69 -0.00 -2.04 0.26 114.58 116.65 1oco h GLU 60 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1oco h GLU 60 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 28.72 1oco h GLU 60 CO 0.00 0.10 -0.84 1.55 -0.00 0.00 0.00 179.01 179.82 1oco n VAL 61 N -5.29 0.41 0.25 -1.06 3.14 -1.26 -3.94 118.33 110.58 1oco n VAL 61 Ca 0.17 -0.36 0.11 0.00 -2.96 0.00 0.00 64.34 61.30 1oco n VAL 61 Cb 0.57 -0.13 0.67 0.00 -1.06 0.00 0.00 33.84 33.89 1oco n VAL 61 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1oco h GLU 62 N 0.00 0.00 -0.27 1.45 5.08 -0.79 -2.71 114.58 117.34 1oco h GLU 62 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1oco h GLU 62 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1oco h GLU 62 CO 0.00 0.14 -0.59 1.79 -1.00 0.00 0.00 179.01 179.35 1oco h THR 63 N 0.00 1.27 0.89 1.13 1.35 -1.57 -2.96 112.91 113.03 1oco h THR 63 Ca -0.00 -1.77 -0.04 0.00 -0.55 0.00 0.00 66.41 64.04 1oco h THR 63 Cb 0.33 1.69 0.01 0.00 -1.73 0.00 0.00 68.15 68.45 1oco h THR 63 CO 0.02 0.58 -0.46 0.40 -0.25 0.00 0.00 175.52 175.81 1oco h ILE 64 N 0.65 0.07 0.00 6.82 2.04 -1.72 0.16 117.51 125.54 1oco h ILE 64 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1oco h ILE 64 Cb 1.20 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1oco h ILE 64 CO 0.13 0.00 0.00 -2.67 0.00 0.00 0.00 178.15 175.61 1oco n TRP 65 N -5.63 0.00 0.00 1.37 2.14 -1.10 -1.63 117.44 112.60 1oco n TRP 65 Ca -0.16 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.41 1oco n TRP 65 Cb 0.50 -0.02 0.00 0.00 -0.81 0.00 0.00 31.31 30.98 1oco n TRP 65 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1oco n THR 66 N -0.23 0.00 0.03 -1.67 5.66 -1.01 -4.61 114.28 112.45 1oco n THR 66 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1oco n THR 66 Cb 0.05 -1.15 0.01 0.00 -1.55 0.00 0.00 70.33 67.69 1oco n THR 66 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1oco h ILE 67 N 0.00 1.35 -0.07 1.09 5.03 -0.46 -3.12 117.51 121.33 1oco h ILE 67 Ca 0.00 -2.07 -0.00 0.00 -0.12 0.00 0.00 64.86 62.67 1oco h ILE 67 Cb 0.96 2.05 -0.00 0.00 -3.03 0.00 0.00 36.82 36.80 1oco h ILE 67 CO 0.00 0.63 0.04 0.25 -0.68 0.00 0.00 178.15 178.39 1oco h LEU 68 N 0.35 0.09 -2.07 1.44 5.85 -1.51 -1.54 115.31 117.91 1oco h LEU 68 Ca -0.03 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1oco h LEU 68 Cb 1.31 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1oco h LEU 68 CO 0.13 0.13 -0.06 -0.65 -0.34 0.00 0.00 178.44 177.66 1oco h PRO 69 N 0.03 0.00 -0.24 5.25 0.11 -1.78 -2.09 132.00 133.27 1oco h PRO 69 Ca 0.02 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.99 1oco h PRO 69 Cb 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1oco h PRO 69 CO -0.00 0.06 -0.45 0.00 -0.21 0.00 0.00 178.00 177.39 1oco h ALA 70 N 1.94 0.75 -0.45 -0.75 0.00 -1.30 -2.01 119.26 117.45 1oco h ALA 70 Ca -0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1oco h ALA 70 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1oco h ALA 70 CO 0.01 0.66 -0.10 0.82 0.00 0.00 0.00 179.25 180.64 1oco h ILE 71 N 0.50 1.27 -0.08 0.00 2.04 -0.67 -2.94 117.51 117.64 1oco h ILE 71 Ca 0.03 -1.21 0.01 0.00 1.00 0.00 0.00 64.86 64.68 1oco h ILE 71 Cb 0.98 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1oco h ILE 71 CO 0.09 0.41 0.03 0.40 0.00 0.00 0.00 178.15 179.09 1oco h ILE 72 N 0.69 0.99 -0.66 -0.67 2.04 -1.23 -2.13 117.51 116.55 1oco h ILE 72 Ca 0.11 -0.03 0.13 0.00 1.00 0.00 0.00 64.86 66.08 1oco h ILE 72 Cb 0.64 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1oco h ILE 72 CO 0.04 0.01 0.44 -0.07 0.00 0.00 0.00 178.15 178.58 1oco h LEU 73 N 0.08 0.31 -0.58 1.44 3.38 -1.33 0.20 115.31 118.80 1oco h LEU 73 Ca 0.03 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1oco h LEU 73 Cb 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1oco h LEU 73 CO -0.03 0.17 -0.41 0.40 0.09 0.00 0.00 178.44 178.66 1oco h ILE 74 N 0.34 1.29 0.00 1.22 2.04 -1.22 0.26 117.51 121.44 1oco h ILE 74 Ca 0.31 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1oco h ILE 74 Cb 0.76 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1oco h ILE 74 CO -0.08 0.51 0.00 0.18 0.00 0.00 0.00 178.15 178.76 1oco n LEU 75 N -4.03 0.61 -0.12 1.44 4.77 0.65 -1.75 117.00 118.56 1oco n LEU 75 Ca -0.02 0.69 -0.24 0.00 -0.03 0.00 0.00 56.01 56.42 1oco n LEU 75 Cb 0.53 -0.66 -0.08 0.00 -2.33 0.00 0.00 43.42 40.89 1oco n LEU 75 CO 0.46 -0.68 -1.22 -0.38 -1.33 0.00 0.00 177.39 174.24 1oco n ILE 76 N -2.22 1.51 -0.32 -0.08 5.41 -0.91 -4.51 119.36 118.23 1oco n ILE 76 Ca 0.01 -0.23 0.14 0.00 1.00 0.00 0.00 62.75 63.67 1oco n ILE 76 Cb 0.16 -2.01 0.36 0.00 -0.71 0.00 0.00 39.64 37.44 1oco n ILE 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1oco h ALA 77 N -0.99 1.80 0.45 -1.39 0.00 -0.86 -1.44 119.26 116.84 1oco h ALA 77 Ca -0.50 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1oco h ALA 77 Cb 1.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1oco h ALA 77 CO -0.30 -0.13 -0.22 -0.07 0.00 0.00 0.00 179.25 178.53 1oco h LEU 78 N 0.70 -0.51 -1.05 0.00 3.38 -1.58 0.36 115.31 116.61 1oco h LEU 78 Ca 0.53 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.74 1oco h LEU 78 Cb 0.91 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 1oco h LEU 78 CO -0.30 -0.35 0.61 -0.65 0.09 0.00 0.00 178.44 177.83 1oco h PRO 79 N -0.64 0.62 0.23 1.13 0.11 -1.74 -1.02 132.00 130.70 1oco h PRO 79 Ca -0.06 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1oco h PRO 79 Cb 0.47 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1oco h PRO 79 CO 0.10 0.41 -0.11 1.03 -0.21 0.00 0.00 178.00 179.22 1oco h SER 80 N 0.64 -0.27 -0.18 -2.05 0.87 -1.16 -2.80 113.55 108.60 1oco h SER 80 Ca 0.61 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1oco h SER 80 Cb 1.10 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 1oco h SER 80 CO -0.41 -0.01 0.11 -0.07 -0.53 0.00 0.00 176.83 175.92 1oco h LEU 81 N -0.52 0.23 0.34 2.23 3.38 0.29 -2.08 115.31 119.18 1oco h LEU 81 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1oco h LEU 81 Cb 0.39 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1oco h LEU 81 CO 0.05 0.19 -0.16 -0.09 0.09 0.00 0.00 178.44 178.52 1oco h ARG 82 N 0.27 -0.44 0.00 1.13 2.43 -1.11 -1.89 114.38 114.77 1oco h ARG 82 Ca 0.07 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1oco h ARG 82 Cb 0.00 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1oco h ARG 82 CO -0.01 -0.25 -0.05 0.82 -1.51 0.00 0.00 179.97 178.97 1oco h ILE 83 N -0.53 0.57 -0.05 1.20 2.04 -1.20 -1.01 117.51 118.53 1oco h ILE 83 Ca -0.05 -0.21 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 1oco h ILE 83 Cb 0.40 1.13 0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1oco h ILE 83 CO 0.08 0.05 -0.37 0.25 0.00 0.00 0.00 178.15 178.16 1oco h LEU 84 N 0.00 0.41 -0.83 1.44 5.85 -0.69 -1.02 115.31 120.47 1oco h LEU 84 Ca -0.00 -0.69 -0.12 0.00 0.84 0.00 0.00 57.88 57.91 1oco h LEU 84 Cb 0.13 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1oco h LEU 84 CO 0.01 1.03 -0.48 1.88 -0.34 0.00 0.00 178.44 180.54 1oco h TYR 85 N -0.19 0.29 -0.97 1.25 -1.99 -1.12 -2.06 116.97 112.18 1oco h TYR 85 Ca -0.03 -0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 1oco h TYR 85 Cb 1.05 -0.06 -0.05 0.00 2.00 0.00 0.00 36.73 39.67 1oco h TYR 85 CO 0.14 0.68 0.60 1.98 -0.00 0.00 0.00 178.16 181.56 1oco h MET 86 N 0.19 1.30 -0.40 4.88 4.05 -1.13 -2.25 114.93 121.58 1oco h MET 86 Ca 0.01 -0.11 -0.11 0.00 -0.28 0.00 0.00 59.70 59.22 1oco h MET 86 Cb 0.93 -0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1oco h MET 86 CO 0.08 0.90 -0.16 0.52 0.23 0.00 0.00 176.91 178.47 1oco h MET 87 N 1.33 0.81 0.00 0.39 2.86 -0.51 -2.48 114.93 117.32 1oco h MET 87 Ca 0.35 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1oco h MET 87 Cb -0.08 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.55 1oco h MET 87 CO -0.07 0.97 0.00 -0.25 1.06 0.00 0.00 176.91 178.62 1oco n ASP 88 N -4.27 0.17 -4.53 1.22 9.92 -0.88 -4.33 116.55 113.85 1oco n ASP 88 Ca -0.01 0.57 -0.42 0.00 -0.53 0.00 0.00 54.79 54.39 1oco n ASP 88 Cb 0.41 -0.59 -0.03 0.00 -0.64 0.00 0.00 41.12 40.26 1oco n ASP 88 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1oco s GLU 89 N -3.13 3.45 -0.05 -1.24 -1.05 -0.94 -4.78 118.70 110.96 1oco s GLU 89 Ca 0.02 -1.00 -0.13 0.00 -0.15 0.00 0.00 54.97 53.70 1oco s GLU 89 Cb 0.04 -4.89 -0.08 0.00 -0.44 0.00 0.00 34.13 28.77 1oco s GLU 89 CO 0.13 -2.08 0.55 0.97 0.95 0.00 0.00 175.26 175.79 1oco h ILE 90 N 6.36 0.05 -4.82 1.83 2.10 -1.86 -3.50 117.51 117.67 1oco h ILE 90 Ca 0.03 -0.69 0.00 0.00 1.08 0.00 0.00 64.86 65.28 1oco h ILE 90 Cb 1.03 0.08 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 1oco h ILE 90 CO 1.31 0.01 0.00 0.59 -1.08 0.00 0.00 178.15 178.98 1oco n ASN 91 N -5.08 -3.87 -3.40 2.19 3.02 -1.26 -4.60 115.26 102.25 1oco n ASN 91 Ca -0.06 0.91 -0.21 0.00 -0.03 0.00 0.00 54.58 55.19 1oco n ASN 91 Cb 0.19 -1.42 0.01 0.00 -0.61 0.00 0.00 39.78 37.95 1oco n ASN 91 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1oco n ASN 92 N 2.22 -6.16 -4.77 6.41 2.04 -1.26 -5.04 115.26 108.70 1oco n ASN 92 Ca 0.00 -0.30 -0.39 0.00 -0.44 0.00 0.00 54.58 53.46 1oco n ASN 92 Cb 0.00 -3.04 -0.03 0.00 -2.53 0.00 0.00 39.78 34.18 1oco n ASN 92 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1oco s PRO 93 N -3.44 4.32 0.00 -0.53 0.04 -1.26 -4.85 135.00 129.29 1oco s PRO 93 Ca 0.16 1.78 0.22 0.00 0.04 0.00 0.00 61.00 63.20 1oco s PRO 93 Cb -0.02 -2.86 0.20 0.00 0.04 0.00 0.00 34.50 31.86 1oco s PRO 93 CO 0.84 -0.07 1.23 -1.13 0.04 0.00 0.00 177.00 177.91 1oco n SER 94 N 0.51 2.93 -3.68 6.66 3.41 -0.81 -4.95 113.62 117.69 1oco n SER 94 Ca 0.02 -1.94 -0.13 0.00 -0.26 0.00 0.00 58.87 56.56 1oco n SER 94 Cb 0.46 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 1oco n SER 94 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1oco s LEU 95 N -1.83 0.48 -0.21 1.04 2.96 -1.26 -5.08 118.68 114.78 1oco s LEU 95 Ca 0.27 -0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 54.11 1oco s LEU 95 Cb 0.19 1.67 0.08 0.00 0.50 0.00 0.00 46.19 48.63 1oco s LEU 95 CO 0.28 -0.65 0.12 -0.89 -1.32 0.00 0.00 176.35 173.89 1oco s THR 96 N -2.46 -0.11 -0.06 3.68 2.01 -1.26 -2.21 115.64 115.23 1oco s THR 96 Ca -0.05 -0.35 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 1oco s THR 96 Cb -0.01 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 1oco s THR 96 CO -0.02 -0.42 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.77 1oco s VAL 97 N 2.14 4.05 0.29 3.82 1.01 -0.93 -4.38 120.40 126.41 1oco s VAL 97 Ca 0.05 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1oco s VAL 97 Cb -0.16 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1oco s VAL 97 CO -0.18 0.55 0.11 -0.54 0.00 0.00 0.00 175.10 175.04 1oco s LYS 98 N -1.02 2.51 -0.01 2.72 1.02 -0.08 -2.39 119.74 122.48 1oco s LYS 98 Ca 0.14 -1.35 -0.08 0.00 0.02 0.00 0.00 55.97 54.70 1oco s LYS 98 Cb -0.11 -2.30 0.01 0.00 -0.52 0.00 0.00 37.83 34.91 1oco s LYS 98 CO 0.04 0.28 0.18 -0.08 -0.92 0.00 0.00 175.35 174.84 1oco s THR 99 N -2.30 0.07 -0.05 2.17 -1.32 -0.95 -0.83 115.64 112.41 1oco s THR 99 Ca 0.34 -0.54 -0.02 0.00 -1.21 0.00 0.00 61.69 60.26 1oco s THR 99 Cb -0.06 -0.44 0.04 0.00 -1.51 0.00 0.00 72.50 70.53 1oco s THR 99 CO 0.23 -0.30 0.09 -0.04 -2.21 0.00 0.00 174.62 172.39 1oco s MET 100 N -1.13 -0.05 0.49 7.08 -1.94 0.31 -2.40 119.30 121.68 1oco s MET 100 Ca -0.12 0.43 -0.22 0.00 -1.71 0.00 0.00 55.69 54.08 1oco s MET 100 Cb -0.06 -0.44 -0.07 0.00 2.01 0.00 0.00 34.83 36.27 1oco s MET 100 CO 0.02 -0.32 1.15 0.20 -0.01 0.00 0.00 175.02 176.06 1oco s GLY 101 N 2.21 2.73 0.04 -0.03 0.00 -0.09 -2.41 107.32 109.77 1oco s GLY 101 Ca 0.04 0.90 -0.04 0.00 0.00 0.00 0.00 44.72 45.62 1oco s GLY 101 CO -0.04 1.32 0.06 0.30 0.00 0.00 0.00 173.10 174.73 1oco s HIS 102 N -1.63 0.26 -0.83 1.90 3.76 -0.34 -1.30 115.29 117.11 1oco s HIS 102 Ca 0.67 -0.59 -0.26 0.00 -0.15 0.00 0.00 55.06 54.73 1oco s HIS 102 Cb -0.27 -0.19 -0.13 0.00 1.11 0.00 0.00 32.58 33.11 1oco s HIS 102 CO 0.32 -0.34 2.31 -1.14 -0.85 0.00 0.00 174.74 175.04 1oco s GLN 103 N -2.59 1.76 0.00 1.40 0.74 -1.26 -1.72 119.66 117.99 1oco s GLN 103 Ca -0.05 0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.65 1oco s GLN 103 Cb -0.01 -4.85 0.00 0.00 1.10 0.00 0.00 33.01 29.25 1oco s GLN 103 CO -0.05 -4.31 0.00 0.91 -0.55 0.00 0.00 175.29 171.29 1oco n TRP 104 N 17.86 0.00 0.00 1.67 8.01 -1.26 -5.08 117.44 138.64 1oco n TRP 104 Ca 0.45 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.64 1oco n TRP 104 Cb 0.44 -0.92 0.00 0.00 -2.01 0.00 0.00 31.31 28.82 1oco n TRP 104 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.69 179.16 1oco n TYR 105 N -1.35 0.00 -4.03 -5.99 0.18 -0.70 -4.81 117.16 100.46 1oco n TYR 105 Ca 0.00 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.48 1oco n TYR 105 Cb 0.34 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.24 1oco n TYR 105 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1oco s TRP 106 N -1.99 3.24 -0.04 -3.48 0.52 -1.12 -1.20 118.94 114.86 1oco s TRP 106 Ca 0.00 0.09 0.02 0.00 0.02 0.00 0.00 56.10 56.24 1oco s TRP 106 Cb 0.00 -1.63 0.01 0.00 -1.15 0.00 0.00 33.47 30.70 1oco s TRP 106 CO 0.00 0.53 -0.09 -1.54 0.02 0.00 0.00 176.95 175.87 1oco s SER 107 N -2.48 1.25 0.25 2.95 1.04 -1.01 -0.30 113.70 115.40 1oco s SER 107 Ca 0.30 -0.19 0.08 0.00 0.48 0.00 0.00 55.95 56.62 1oco s SER 107 Cb -0.12 -0.44 -0.04 0.00 0.10 0.00 0.00 66.02 65.52 1oco s SER 107 CO 0.23 0.03 0.09 -0.31 0.98 0.00 0.00 173.24 174.27 1oco s TYR 108 N 0.43 2.91 -0.10 5.02 1.51 -0.53 -0.53 117.35 126.07 1oco s TYR 108 Ca -0.07 -0.16 -0.04 0.00 -1.01 0.00 0.00 57.07 55.80 1oco s TYR 108 Cb -0.11 -1.31 0.05 0.00 -0.11 0.00 0.00 41.96 40.48 1oco s TYR 108 CO 0.01 0.57 0.17 -1.21 -1.11 0.00 0.00 175.55 173.98 1oco s GLU 109 N -3.69 0.05 -0.37 -0.62 2.02 -0.01 -1.92 118.70 114.16 1oco s GLU 109 Ca 0.32 0.57 -0.04 0.00 0.02 0.00 0.00 54.97 55.84 1oco s GLU 109 Cb -0.07 -0.29 0.08 0.00 0.10 0.00 0.00 34.13 33.94 1oco s GLU 109 CO 0.22 -0.32 0.14 0.71 0.02 0.00 0.00 175.26 176.03 1oco s TYR 110 N 2.31 3.41 -0.16 1.61 1.51 0.25 -0.91 117.35 125.37 1oco s TYR 110 Ca 0.03 -1.99 0.14 0.00 -1.01 0.00 0.00 57.07 54.25 1oco s TYR 110 Cb -0.12 -2.73 0.36 0.00 -0.11 0.00 0.00 41.96 39.36 1oco s TYR 110 CO -0.06 -0.87 1.18 0.25 -1.11 0.00 0.00 175.55 174.94 1oco n THR 111 N 4.68 1.85 -0.21 -0.71 -2.24 -1.26 -1.75 114.28 114.64 1oco n THR 111 Ca -0.08 -2.62 -0.05 0.00 -2.27 0.00 0.00 64.05 59.03 1oco n THR 111 Cb 0.43 -0.12 0.05 0.00 -2.10 0.00 0.00 70.33 68.59 1oco n THR 111 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1oco h ASP 112 N 0.62 0.61 0.00 3.42 3.32 -1.93 -3.41 116.42 119.06 1oco h ASP 112 Ca -0.02 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1oco h ASP 112 Cb 1.08 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1oco h ASP 112 CO 0.01 0.43 0.00 -1.22 -1.72 0.00 0.00 179.24 176.74 1oco n TYR 113 N -4.72 -0.30 -0.39 4.55 4.01 -1.26 -5.10 117.16 113.94 1oco n TYR 113 Ca 0.05 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1oco n TYR 113 Cb 0.07 0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1oco n TYR 113 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1oco n GLU 114 N -3.13 2.12 -2.72 -0.72 4.07 -1.26 -5.02 120.64 113.98 1oco n GLU 114 Ca 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.96 1oco n GLU 114 Cb 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.39 1oco n GLU 114 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1oco n ASP 115 N 0.00 2.02 -4.75 4.31 9.92 -1.26 -4.42 116.55 122.38 1oco n ASP 115 Ca 0.00 -2.97 -0.41 0.00 -0.53 0.00 0.00 54.79 50.88 1oco n ASP 115 Cb 0.00 -0.53 -0.03 0.00 -0.64 0.00 0.00 41.12 39.92 1oco n ASP 115 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1oco s LEU 116 N -3.10 4.43 -0.29 0.64 2.96 -0.72 -4.93 118.68 117.67 1oco s LEU 116 Ca 0.33 2.45 -0.16 0.00 -0.22 0.00 0.00 54.13 56.53 1oco s LEU 116 Cb 0.43 -3.62 0.14 0.00 0.50 0.00 0.00 46.19 43.64 1oco s LEU 116 CO -0.02 -0.48 0.94 -0.94 -1.32 0.00 0.00 176.35 174.52 1oco s SER 117 N 0.02 -0.57 0.06 3.68 1.04 -1.26 -0.59 113.70 116.08 1oco s SER 117 Ca 0.54 0.90 -0.09 0.00 0.48 0.00 0.00 55.95 57.77 1oco s SER 117 Cb -0.37 1.31 -0.00 0.00 0.10 0.00 0.00 66.02 67.06 1oco s SER 117 CO 0.42 -0.14 0.18 0.72 0.98 0.00 0.00 173.24 175.40 1oco s PHE 118 N 1.55 0.12 0.83 5.02 -0.12 -0.81 -4.98 117.98 119.58 1oco s PHE 118 Ca -0.08 -0.45 -0.12 0.00 -0.05 0.00 0.00 56.93 56.23 1oco s PHE 118 Cb -0.04 -0.06 0.11 0.00 -0.63 0.00 0.00 43.02 42.39 1oco s PHE 118 CO -0.16 -0.47 1.19 -0.51 -0.05 0.00 0.00 175.22 175.21 1oco s ASP 119 N -2.45 4.20 -0.24 1.98 1.11 -1.26 -1.46 116.67 118.55 1oco s ASP 119 Ca -0.00 0.58 -0.04 0.00 0.18 0.00 0.00 52.55 53.27 1oco s ASP 119 Cb 0.02 -0.98 0.13 0.00 1.07 0.00 0.00 42.92 43.16 1oco s ASP 119 CO -0.07 -2.06 0.41 -0.55 1.18 0.00 0.00 175.17 174.07 1oco s SER 120 N -4.65 -0.04 0.14 0.27 0.15 0.59 -4.66 113.70 105.49 1oco s SER 120 Ca 0.65 0.50 0.10 0.00 0.70 0.00 0.00 55.95 57.89 1oco s SER 120 Cb -0.09 1.28 -0.04 0.00 -1.71 0.00 0.00 66.02 65.46 1oco s SER 120 CO 0.49 -0.28 -0.23 -0.31 1.20 0.00 0.00 173.24 174.11 1oco s TYR 121 N 2.59 2.05 0.32 3.44 1.51 -1.26 -2.80 117.35 123.20 1oco s TYR 121 Ca 0.10 -0.40 -0.28 0.00 -1.01 0.00 0.00 57.07 55.47 1oco s TYR 121 Cb -0.14 -1.08 -0.10 0.00 -0.11 0.00 0.00 41.96 40.53 1oco s TYR 121 CO -0.15 0.32 1.19 1.41 -1.11 0.00 0.00 175.55 177.20 1oco s MET 122 N -2.23 4.44 -0.22 -0.62 -2.45 -1.26 0.00 119.30 116.96 1oco s MET 122 Ca 0.13 1.96 -0.27 0.00 -1.25 0.00 0.00 55.69 56.26 1oco s MET 122 Cb -0.09 -3.06 -0.00 0.00 1.25 0.00 0.00 34.83 32.93 1oco s MET 122 CO 0.06 -0.02 0.92 0.42 1.05 0.00 0.00 175.02 177.44 1oco s ILE 123 N -1.20 4.78 0.04 10.11 1.01 0.15 -4.83 121.20 131.27 1oco s ILE 123 Ca 0.48 1.77 -0.35 0.00 0.00 0.00 0.00 60.65 62.55 1oco s ILE 123 Cb -0.35 -4.20 -0.14 0.00 0.01 0.00 0.00 42.46 37.78 1oco s ILE 123 CO 0.45 -0.10 1.61 -2.65 0.00 0.00 0.00 174.94 174.26 1oco n PRO 124 N 5.97 1.83 0.29 2.79 -0.02 -1.26 -4.77 135.00 139.82 1oco n PRO 124 Ca 0.08 0.66 0.15 0.00 -2.02 0.00 0.00 63.50 62.37 1oco n PRO 124 Cb 0.47 -2.41 0.70 0.00 -0.02 0.00 0.00 33.50 32.24 1oco n PRO 124 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oco h THR 125 N 4.16 0.06 -0.17 3.45 1.03 -1.94 0.31 112.91 119.81 1oco h THR 125 Ca -0.47 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 65.93 1oco h THR 125 Cb 1.28 0.57 -0.01 0.00 -1.07 0.00 0.00 68.15 68.92 1oco h THR 125 CO 0.89 0.00 0.09 0.77 -0.01 0.00 0.00 175.52 177.25 1oco h SER 126 N 0.00 0.21 -0.71 0.00 4.64 -1.95 -3.10 113.55 112.65 1oco h SER 126 Ca 0.04 -0.10 -0.35 0.00 -0.47 0.00 0.00 61.79 60.92 1oco h SER 126 Cb 0.95 -0.05 -0.21 0.00 -0.31 0.00 0.00 62.40 62.77 1oco h SER 126 CO -0.00 0.25 0.44 -1.84 -0.87 0.00 0.00 176.83 174.81 1oco n GLU 127 N -4.91 2.09 -2.91 4.77 0.28 0.11 -4.94 120.64 115.13 1oco n GLU 127 Ca -0.04 -2.22 -0.36 0.00 -0.16 0.00 0.00 57.16 54.38 1oco n GLU 127 Cb 0.08 -1.88 -0.06 0.00 1.43 0.00 0.00 31.44 31.00 1oco n GLU 127 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1oco s LEU 128 N -2.38 4.28 0.07 -1.84 1.43 -1.17 -4.88 118.68 114.18 1oco s LEU 128 Ca 0.42 1.65 -0.17 0.00 -1.03 0.00 0.00 54.13 55.00 1oco s LEU 128 Cb 0.35 -3.95 -0.06 0.00 0.03 0.00 0.00 46.19 42.56 1oco s LEU 128 CO 0.08 -0.08 0.52 -0.54 0.23 0.00 0.00 176.35 176.56 1oco s LYS 129 N -2.22 4.06 0.01 1.70 1.02 -1.26 -4.97 119.74 118.09 1oco s LYS 129 Ca 0.50 0.58 -0.38 0.00 0.02 0.00 0.00 55.97 56.69 1oco s LYS 129 Cb -0.16 -3.16 -0.19 0.00 -0.52 0.00 0.00 37.83 33.80 1oco s LYS 129 CO 0.21 0.62 0.99 -2.30 -0.92 0.00 0.00 175.35 173.95 1oco n PRO 130 N 1.53 0.00 0.00 -1.68 -0.02 -1.26 -1.35 135.00 132.22 1oco n PRO 130 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1oco n PRO 130 Cb 0.51 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1oco n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oco n GLY 131 N 1.48 0.74 3.76 -1.23 0.00 -1.26 -5.07 105.19 103.62 1oco n GLY 131 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1oco n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oco s GLU 132 N -0.95 4.59 -0.17 1.61 2.02 -0.45 -5.01 118.70 120.35 1oco s GLU 132 Ca 0.00 1.19 -0.29 0.00 0.02 0.00 0.00 54.97 55.89 1oco s GLU 132 Cb 0.00 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.91 1oco s GLU 132 CO 0.00 0.48 1.55 -0.51 0.02 0.00 0.00 175.26 176.80 1oco s LEU 133 N -0.84 4.07 0.16 1.80 1.43 -1.26 -4.90 118.68 119.13 1oco s LEU 133 Ca 0.38 1.80 -0.15 0.00 -1.03 0.00 0.00 54.13 55.12 1oco s LEU 133 Cb -0.23 -3.53 0.13 0.00 0.03 0.00 0.00 46.19 42.59 1oco s LEU 133 CO 0.26 -1.07 1.14 -1.14 0.23 0.00 0.00 176.35 175.78 1oco n ARG 134 N 7.31 -0.20 -0.18 1.70 0.63 -1.26 -1.86 116.66 122.80 1oco n ARG 134 Ca 0.17 1.13 0.06 0.00 -0.92 0.00 0.00 57.85 58.29 1oco n ARG 134 Cb 0.44 -1.67 0.14 0.00 0.45 0.00 0.00 32.46 31.83 1oco n ARG 134 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1oco n LEU 135 N -5.05 2.81 -0.02 6.15 4.77 -1.26 -4.42 117.00 119.97 1oco n LEU 135 Ca 0.06 -2.56 0.03 0.00 -0.03 0.00 0.00 56.01 53.51 1oco n LEU 135 Cb 0.27 -0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 1oco n LEU 135 CO -0.10 0.65 -0.74 0.18 -1.33 0.00 0.00 177.39 176.05 1oco n LEU 136 N -0.52 0.00 -4.73 2.23 4.77 -0.77 -4.64 117.00 113.34 1oco n LEU 136 Ca 0.13 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.69 1oco n LEU 136 Cb 0.56 0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1oco n LEU 136 CO 0.06 0.10 0.77 -1.61 -1.33 0.00 0.00 177.39 175.38 1oco s GLU 137 N -2.72 4.57 0.14 3.23 0.41 -1.06 -4.68 118.70 118.60 1oco s GLU 137 Ca -0.05 1.63 0.09 0.00 -0.41 0.00 0.00 54.97 56.22 1oco s GLU 137 Cb 0.07 -3.34 -0.04 0.00 -1.78 0.00 0.00 34.13 29.04 1oco s GLU 137 CO 0.54 0.01 -0.13 0.54 -0.49 0.00 0.00 175.26 175.73 1oco s VAL 138 N 0.28 3.09 0.02 2.63 0.11 -1.26 0.34 120.40 125.61 1oco s VAL 138 Ca 0.51 -1.52 -0.24 0.00 -2.93 0.00 0.00 61.98 57.80 1oco s VAL 138 Cb -0.27 -2.47 -0.17 0.00 -1.53 0.00 0.00 36.38 31.94 1oco s VAL 138 CO 0.32 0.02 1.41 -2.24 -3.33 0.00 0.00 175.10 171.27 1oco h ASP 139 N 3.38 0.08 -3.52 3.54 3.04 -0.74 -3.41 116.42 118.78 1oco h ASP 139 Ca -0.48 -0.36 -0.70 0.00 -3.24 0.00 0.00 57.03 52.25 1oco h ASP 139 Cb 1.18 -0.02 -0.33 0.00 -1.04 0.00 0.00 39.33 39.12 1oco h ASP 139 CO 0.51 0.42 -0.56 0.20 -2.04 0.00 0.00 179.24 177.76 1oco s ASN 140 N -5.64 5.26 0.82 4.15 0.01 -1.26 -5.02 114.94 113.26 1oco s ASN 140 Ca -0.15 -1.83 -0.11 0.00 -0.71 0.00 0.00 52.86 50.06 1oco s ASN 140 Cb 0.04 -1.84 0.08 0.00 0.41 0.00 0.00 41.25 39.94 1oco s ASN 140 CO 0.68 -0.50 1.09 -0.13 -1.51 0.00 0.00 177.10 176.74 1oco s ARG 141 N 1.21 1.90 -0.50 -0.60 0.52 -1.26 -4.73 118.95 115.47 1oco s ARG 141 Ca 0.05 1.08 -0.16 0.00 -0.52 0.00 0.00 55.73 56.19 1oco s ARG 141 Cb -0.22 -1.86 0.10 0.00 0.52 0.00 0.00 34.95 33.48 1oco s ARG 141 CO -0.03 -1.87 0.45 0.54 0.02 0.00 0.00 175.30 174.41 1oco s VAL 142 N -2.90 5.22 0.17 3.52 0.11 -0.47 -4.93 120.40 121.12 1oco s VAL 142 Ca 0.62 -1.26 -0.30 0.00 -2.93 0.00 0.00 61.98 58.11 1oco s VAL 142 Cb -0.18 -4.23 -0.07 0.00 -1.53 0.00 0.00 36.38 30.37 1oco s VAL 142 CO 0.56 -0.72 1.00 -0.69 -3.33 0.00 0.00 175.10 171.93 1oco s VAL 143 N 1.63 4.15 0.03 2.04 1.01 -1.26 -1.15 120.40 126.86 1oco s VAL 143 Ca 0.04 1.92 -0.12 0.00 0.00 0.00 0.00 61.98 63.81 1oco s VAL 143 Cb -0.27 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 31.90 1oco s VAL 143 CO 0.05 0.36 0.26 -0.76 0.00 0.00 0.00 175.10 175.01 1oco s LEU 144 N -0.50 1.05 -0.35 3.92 1.43 -0.28 -4.94 118.68 119.02 1oco s LEU 144 Ca 0.46 -0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 53.08 1oco s LEU 144 Cb -0.26 1.18 0.01 0.00 0.03 0.00 0.00 46.19 47.15 1oco s LEU 144 CO 0.32 -0.55 1.29 -2.16 0.23 0.00 0.00 176.35 175.48 1oco s PRO 145 N -2.24 3.83 1.09 1.29 0.04 -1.25 -1.84 135.00 135.92 1oco s PRO 145 Ca -0.07 1.08 -0.13 0.00 0.04 0.00 0.00 61.00 61.92 1oco s PRO 145 Cb -0.02 -3.90 0.22 0.00 0.04 0.00 0.00 34.50 30.83 1oco s PRO 145 CO -0.02 -1.23 0.88 0.00 0.04 0.00 0.00 177.00 176.68 1oco n MET 146 N 7.50 -1.72 -1.71 4.56 0.00 -0.44 -3.36 117.12 121.97 1oco n MET 146 Ca 0.15 -0.46 -0.17 0.00 0.00 0.00 0.00 57.70 57.21 1oco n MET 146 Cb 0.47 -2.14 -0.06 0.00 0.00 0.00 0.00 33.22 31.49 1oco n MET 146 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1oco n GLU 147 N -4.21 -1.50 -4.57 3.17 4.07 -0.02 -4.77 120.64 112.82 1oco n GLU 147 Ca 0.05 0.98 -0.22 0.00 -0.06 0.00 0.00 57.16 57.91 1oco n GLU 147 Cb 0.54 -5.37 -0.14 0.00 -0.06 0.00 0.00 31.44 26.41 1oco n GLU 147 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 1oco s MET 148 N -3.81 1.11 -0.55 5.31 -1.94 -1.21 -4.99 119.30 113.21 1oco s MET 148 Ca 0.00 -0.62 -0.28 0.00 -1.71 0.00 0.00 55.69 53.08 1oco s MET 148 Cb 0.00 -1.10 0.02 0.00 2.01 0.00 0.00 34.83 35.76 1oco s MET 148 CO 0.00 0.29 1.30 0.99 -0.01 0.00 0.00 175.02 177.60 1oco s THR 149 N -0.53 3.92 0.10 2.05 2.01 -1.26 -4.33 115.64 117.60 1oco s THR 149 Ca 0.04 0.83 0.01 0.00 0.31 0.00 0.00 61.69 62.89 1oco s THR 149 Cb -0.06 -4.55 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 1oco s THR 149 CO 0.00 -1.19 0.22 -0.63 -0.69 0.00 0.00 174.62 172.33 1oco s ILE 150 N 5.43 5.27 -0.28 1.82 1.01 0.24 -1.93 121.20 132.76 1oco s ILE 150 Ca 0.49 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 1oco s ILE 150 Cb -0.09 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 38.80 1oco s ILE 150 CO 0.26 0.05 -0.04 -0.60 0.00 0.00 0.00 174.94 174.62 1oco s ARG 151 N -2.78 2.51 0.12 2.79 3.52 -0.94 -1.09 118.95 123.08 1oco s ARG 151 Ca 0.34 -1.20 -0.11 0.00 -0.13 0.00 0.00 55.73 54.64 1oco s ARG 151 Cb -0.12 -3.08 -0.06 0.00 -1.56 0.00 0.00 34.95 30.13 1oco s ARG 151 CO 0.28 -0.55 0.45 -1.64 -0.81 0.00 0.00 175.30 173.03 1oco s MET 152 N 1.25 3.81 -0.25 5.12 -1.94 0.12 -2.18 119.30 125.23 1oco s MET 152 Ca -0.04 0.25 -0.01 0.00 -1.71 0.00 0.00 55.69 54.18 1oco s MET 152 Cb -0.19 -2.94 0.08 0.00 2.01 0.00 0.00 34.83 33.79 1oco s MET 152 CO -0.03 0.51 0.03 -0.51 -0.01 0.00 0.00 175.02 175.01 1oco s LEU 153 N -2.06 2.17 -0.03 -0.03 1.43 -1.01 -1.18 118.68 117.97 1oco s LEU 153 Ca 0.36 -1.27 -0.19 0.00 -1.03 0.00 0.00 54.13 52.00 1oco s LEU 153 Cb -0.14 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.10 1oco s LEU 153 CO 0.19 -0.32 0.53 -0.69 0.23 0.00 0.00 176.35 176.29 1oco s VAL 154 N 1.58 4.99 0.26 -1.59 1.01 0.81 -2.24 120.40 125.22 1oco s VAL 154 Ca 0.02 1.09 -0.03 0.00 0.00 0.00 0.00 61.98 63.06 1oco s VAL 154 Cb -0.18 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1oco s VAL 154 CO -0.13 0.43 0.39 -0.24 0.00 0.00 0.00 175.10 175.55 1oco n SER 155 N 2.75 -1.09 -3.88 3.32 2.88 -1.01 -1.27 113.62 115.32 1oco n SER 155 Ca -0.08 -2.34 -0.10 0.00 -1.33 0.00 0.00 58.87 55.02 1oco n SER 155 Cb 0.51 1.99 -0.09 0.00 -0.75 0.00 0.00 64.21 65.88 1oco n SER 155 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1oco s SER 156 N -2.56 0.10 -0.03 -3.46 0.15 -1.26 -0.91 113.70 105.73 1oco s SER 156 Ca 0.20 -0.47 0.13 0.00 0.70 0.00 0.00 55.95 56.50 1oco s SER 156 Cb -0.01 0.28 0.40 0.00 -1.71 0.00 0.00 66.02 64.97 1oco s SER 156 CO 0.14 -0.57 1.33 -0.62 1.20 0.00 0.00 173.24 174.72 1oco n GLU 157 N 0.59 2.92 0.00 5.44 1.02 -0.42 -4.14 120.64 126.05 1oco n GLU 157 Ca -0.18 -2.27 0.00 0.00 -0.02 0.00 0.00 57.16 54.69 1oco n GLU 157 Cb 0.59 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 1oco n GLU 157 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1oco n ASP 158 N 0.54 0.00 -1.67 1.62 5.75 -1.26 -5.03 116.55 116.49 1oco n ASP 158 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 1oco n ASP 158 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1oco n ASP 158 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1oco n VAL 159 N 0.00 0.00 -3.64 2.12 0.24 -1.26 -4.69 118.33 111.10 1oco n VAL 159 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 1oco n VAL 159 Cb 0.00 -1.48 -0.05 0.00 -1.47 0.00 0.00 33.84 30.84 1oco n VAL 159 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1oco s LEU 160 N 0.00 4.36 0.00 1.34 1.43 -1.26 -4.51 118.68 120.04 1oco s LEU 160 Ca 0.00 0.71 0.06 0.00 -1.03 0.00 0.00 54.13 53.87 1oco s LEU 160 Cb 0.00 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 1oco s LEU 160 CO 0.00 0.21 0.21 1.41 0.23 0.00 0.00 176.35 178.41 1oco n HIS 161 N 1.02 -0.49 -3.63 0.29 8.25 -0.77 -4.42 115.22 115.48 1oco n HIS 161 Ca -0.09 -2.31 -0.10 0.00 -0.26 0.00 0.00 57.72 54.95 1oco n HIS 161 Cb 0.52 0.19 -0.11 0.00 1.12 0.00 0.00 29.99 31.72 1oco n HIS 161 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1oco s SER 162 N -2.98 0.01 -0.39 0.41 0.15 -1.26 0.42 113.70 110.06 1oco s SER 162 Ca 0.30 0.77 -0.27 0.00 0.70 0.00 0.00 55.95 57.46 1oco s SER 162 Cb 0.01 1.11 0.02 0.00 -1.71 0.00 0.00 66.02 65.45 1oco s SER 162 CO 0.21 -0.24 0.97 0.86 1.20 0.00 0.00 173.24 176.24 1oco s TRP 163 N 2.54 3.02 0.06 3.44 -0.00 -0.29 -1.44 118.94 126.27 1oco s TRP 163 Ca 0.01 0.75 0.06 0.00 -0.00 0.00 0.00 56.10 56.91 1oco s TRP 163 Cb -0.12 -3.82 -0.03 0.00 -0.00 0.00 0.00 33.47 29.50 1oco s TRP 163 CO -0.12 -0.93 -0.15 0.00 -0.00 0.00 0.00 176.95 175.75 1oco s ALA 164 N 3.68 1.29 -0.47 5.86 0.00 -1.25 -1.71 121.76 129.16 1oco s ALA 164 Ca 0.40 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.46 1oco s ALA 164 Cb -0.11 -0.17 0.18 0.00 0.00 0.00 0.00 23.12 23.02 1oco s ALA 164 CO 0.21 0.23 0.61 0.08 0.00 0.00 0.00 175.76 176.90 1oco s VAL 165 N -1.04 -0.69 0.10 0.00 1.01 -0.56 -3.14 120.40 116.08 1oco s VAL 165 Ca 0.01 -1.19 -0.19 0.00 0.00 0.00 0.00 61.98 60.62 1oco s VAL 165 Cb -0.09 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1oco s VAL 165 CO 0.02 -0.29 1.17 -2.65 0.00 0.00 0.00 175.10 173.35 1oco n PRO 166 N 3.22 -0.26 -0.38 2.72 -0.02 -1.26 -1.06 135.00 137.97 1oco n PRO 166 Ca 0.19 1.15 0.30 0.00 -2.02 0.00 0.00 63.50 63.12 1oco n PRO 166 Cb 0.54 -1.70 0.57 0.00 -0.02 0.00 0.00 33.50 32.89 1oco n PRO 166 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1oco h SER 167 N 0.00 0.37 1.23 2.55 0.02 -1.84 0.87 113.55 116.75 1oco h SER 167 Ca 0.10 0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1oco h SER 167 Cb 0.25 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1oco h SER 167 CO -0.56 -0.18 -0.79 -0.07 -1.14 0.00 0.00 176.83 174.09 1oco h LEU 168 N 0.18 0.00 -0.54 5.07 3.38 -1.42 0.02 115.31 122.00 1oco h LEU 168 Ca 0.77 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.74 1oco h LEU 168 Cb 2.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.87 1oco h LEU 168 CO -0.52 0.10 0.00 0.61 0.09 0.00 0.00 178.44 178.72 1oco n GLY 169 N 1.19 0.93 3.35 0.83 0.00 0.30 -4.12 105.19 107.68 1oco n GLY 169 Ca -0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 1oco n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oco s LEU 170 N -0.54 2.22 -0.30 0.99 1.43 -1.20 -4.89 118.68 116.40 1oco s LEU 170 Ca 0.00 -0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 52.33 1oco s LEU 170 Cb 0.00 -1.23 0.14 0.00 0.03 0.00 0.00 46.19 45.13 1oco s LEU 170 CO 0.00 0.22 0.83 -0.75 0.23 0.00 0.00 176.35 176.88 1oco s LYS 171 N -1.52 0.44 -0.17 1.70 2.47 -1.25 -1.50 119.74 119.91 1oco s LYS 171 Ca 0.12 1.07 -0.04 0.00 -1.56 0.00 0.00 55.97 55.56 1oco s LYS 171 Cb -0.10 0.60 0.08 0.00 -1.46 0.00 0.00 37.83 36.96 1oco s LYS 171 CO 0.03 -0.15 0.27 0.99 0.16 0.00 0.00 175.35 176.66 1oco s THR 172 N 2.56 -0.42 0.74 3.43 2.01 -0.69 -4.99 115.64 118.27 1oco s THR 172 Ca -0.05 0.12 -0.15 0.00 0.31 0.00 0.00 61.69 61.92 1oco s THR 172 Cb -0.09 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 71.88 1oco s THR 172 CO -0.18 -0.01 1.04 0.47 -0.69 0.00 0.00 174.62 175.25 1oco n ASP 173 N 5.35 0.70 -4.30 3.53 9.92 -1.26 -1.14 116.55 129.34 1oco n ASP 173 Ca -0.06 0.66 -0.40 0.00 -0.53 0.00 0.00 54.79 54.46 1oco n ASP 173 Cb 0.50 -1.44 -0.11 0.00 -0.64 0.00 0.00 41.12 39.43 1oco n ASP 173 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1oco s ALA 174 N -1.86 3.21 -0.15 2.24 0.00 0.17 -4.74 121.76 120.63 1oco s ALA 174 Ca 0.74 -1.91 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1oco s ALA 174 Cb -0.33 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1oco s ALA 174 CO 0.50 -1.49 -0.18 0.42 0.00 0.00 0.00 175.76 175.01 1oco s ILE 175 N 1.45 2.44 0.18 0.00 1.01 -1.26 -1.84 121.20 123.18 1oco s ILE 175 Ca 0.01 -0.85 -0.33 0.00 0.00 0.00 0.00 60.65 59.48 1oco s ILE 175 Cb -0.21 -2.01 -0.14 0.00 0.01 0.00 0.00 42.46 40.11 1oco s ILE 175 CO 0.04 0.53 1.48 -0.81 0.00 0.00 0.00 174.94 176.18 1oco n PRO 176 N 4.03 1.98 -1.00 2.79 -0.04 -1.26 -1.55 135.00 139.94 1oco n PRO 176 Ca -0.19 0.71 -0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1oco n PRO 176 Cb 0.52 -2.42 -0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1oco n PRO 176 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1oco n GLY 177 N 2.85 0.48 3.13 0.55 0.00 -1.26 -4.99 105.19 105.94 1oco n GLY 177 Ca 0.15 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1oco n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1oco s ARG 178 N -0.28 0.72 -0.32 1.61 3.52 -0.60 -5.11 118.95 118.49 1oco s ARG 178 Ca 0.00 -0.86 0.04 0.00 -0.13 0.00 0.00 55.73 54.78 1oco s ARG 178 Cb 0.00 -0.64 0.09 0.00 -1.56 0.00 0.00 34.95 32.84 1oco s ARG 178 CO 0.00 0.14 0.01 -0.51 -0.81 0.00 0.00 175.30 174.13 1oco s LEU 179 N -1.60 4.39 0.02 -0.88 1.43 -1.26 -4.42 118.68 116.35 1oco s LEU 179 Ca -0.04 -1.97 -0.18 0.00 -1.03 0.00 0.00 54.13 50.91 1oco s LEU 179 Cb -0.10 -1.59 -0.06 0.00 0.03 0.00 0.00 46.19 44.48 1oco s LEU 179 CO 0.01 -0.34 0.50 0.20 0.23 0.00 0.00 176.35 176.96 1oco s ASN 180 N 0.97 6.92 0.14 2.29 0.01 -0.40 -4.91 114.94 119.96 1oco s ASN 180 Ca 0.06 1.09 0.04 0.00 -0.71 0.00 0.00 52.86 53.34 1oco s ASN 180 Cb -0.19 -2.31 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 1oco s ASN 180 CO -0.08 0.24 0.15 -1.58 -1.51 0.00 0.00 177.10 174.33 1oco s GLN 181 N -0.80 3.00 -0.20 -0.60 0.74 -1.26 -0.14 119.66 120.41 1oco s GLN 181 Ca 0.27 -0.78 -0.25 0.00 0.05 0.00 0.00 55.36 54.65 1oco s GLN 181 Cb -0.18 -2.73 0.07 0.00 1.10 0.00 0.00 33.01 31.27 1oco s GLN 181 CO 0.16 0.51 0.67 -0.08 -0.55 0.00 0.00 175.29 176.00 1oco s THR 182 N -1.67 0.00 -0.25 -0.34 -1.32 -0.32 -4.95 115.64 106.78 1oco s THR 182 Ca 0.31 -0.01 -0.10 0.00 -1.21 0.00 0.00 61.69 60.68 1oco s THR 182 Cb -0.11 -0.95 -0.05 0.00 -1.51 0.00 0.00 72.50 69.88 1oco s THR 182 CO 0.24 -0.01 0.16 -0.89 -2.21 0.00 0.00 174.62 171.91 1oco s THR 183 N -0.09 5.24 0.03 5.08 2.01 -1.26 0.11 115.64 126.76 1oco s THR 183 Ca -0.03 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1oco s THR 183 Cb -0.04 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1oco s THR 183 CO 0.03 0.32 0.07 -0.22 -0.69 0.00 0.00 174.62 174.13 1oco s LEU 184 N 1.32 3.79 -0.37 4.42 0.20 -0.25 -4.97 118.68 122.82 1oco s LEU 184 Ca 0.07 0.05 -0.00 0.00 0.69 0.00 0.00 54.13 54.94 1oco s LEU 184 Cb -0.14 -2.31 0.18 0.00 -0.43 0.00 0.00 46.19 43.49 1oco s LEU 184 CO 0.07 0.23 0.84 -0.32 -0.29 0.00 0.00 176.35 176.88 1oco s MET 185 N -1.97 0.51 0.37 1.98 1.75 -1.26 -0.60 119.30 120.08 1oco s MET 185 Ca 0.25 -0.19 -0.16 0.00 -1.25 0.00 0.00 55.69 54.34 1oco s MET 185 Cb -0.12 0.06 -0.09 0.00 2.84 0.00 0.00 34.83 37.52 1oco s MET 185 CO 0.17 -0.74 0.80 0.45 -0.65 0.00 0.00 175.02 175.05 1oco s SER 186 N 1.85 6.77 -0.19 1.11 0.15 -1.26 -4.46 113.70 117.67 1oco s SER 186 Ca 0.16 1.37 0.12 0.00 0.70 0.00 0.00 55.95 58.30 1oco s SER 186 Cb -0.00 -2.41 0.40 0.00 -1.71 0.00 0.00 66.02 62.30 1oco s SER 186 CO -0.11 -0.29 1.21 -1.54 1.20 0.00 0.00 173.24 173.72 1oco n SER 187 N -0.61 1.75 -3.64 5.45 3.41 -1.06 -0.84 113.62 118.09 1oco n SER 187 Ca 0.04 -3.75 -0.08 0.00 -0.26 0.00 0.00 58.87 54.82 1oco n SER 187 Cb 0.53 -0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 63.91 1oco n SER 187 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1oco s ARG 188 N -3.09 0.58 0.53 4.33 3.52 -1.26 -4.89 118.95 118.67 1oco s ARG 188 Ca 0.37 0.80 -0.14 0.00 -0.13 0.00 0.00 55.73 56.63 1oco s ARG 188 Cb 0.36 0.22 -0.06 0.00 -1.56 0.00 0.00 34.95 33.90 1oco s ARG 188 CO -0.06 -0.09 0.97 -1.25 -0.81 0.00 0.00 175.30 174.06 1oco s PRO 189 N 0.76 3.82 0.00 5.12 0.04 -1.26 -4.87 135.00 138.60 1oco s PRO 189 Ca -0.03 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1oco s PRO 189 Cb -0.05 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1oco s PRO 189 CO -0.09 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1oco n GLY 190 N -1.93 -0.49 3.43 0.56 0.00 -0.87 -4.93 105.19 100.96 1oco n GLY 190 Ca 0.06 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 1oco n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oco s LEU 191 N 0.00 3.01 -0.15 0.99 1.43 -1.26 -1.06 118.68 121.65 1oco s LEU 191 Ca 0.00 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1oco s LEU 191 Cb 0.00 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.54 1oco s LEU 191 CO 0.00 0.16 -0.11 -0.31 0.23 0.00 0.00 176.35 176.31 1oco s TYR 192 N 0.41 1.99 0.10 0.29 2.02 0.56 -4.66 117.35 118.06 1oco s TYR 192 Ca -0.07 -1.12 -0.01 0.00 -0.37 0.00 0.00 57.07 55.50 1oco s TYR 192 Cb -0.15 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 1oco s TYR 192 CO 0.04 -0.63 0.27 0.71 -1.57 0.00 0.00 175.55 174.36 1oco s TYR 193 N 1.55 3.50 0.26 2.71 1.51 -1.26 -0.62 117.35 125.00 1oco s TYR 193 Ca 0.04 0.31 -0.10 0.00 -1.01 0.00 0.00 57.07 56.31 1oco s TYR 193 Cb -0.13 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 1oco s TYR 193 CO -0.10 0.53 0.45 0.20 -1.11 0.00 0.00 175.55 175.53 1oco s GLY 194 N -2.61 0.79 0.09 0.71 0.00 0.10 -4.36 107.32 102.04 1oco s GLY 194 Ca 0.36 -1.07 -0.03 0.00 0.00 0.00 0.00 44.72 43.99 1oco s GLY 194 CO 0.27 -0.76 0.05 1.20 0.00 0.00 0.00 173.10 173.86 1oco s GLN 195 N -3.82 0.78 -0.07 2.90 -0.21 -1.19 -0.43 119.66 117.62 1oco s GLN 195 Ca 0.25 -1.25 -0.29 0.00 0.02 0.00 0.00 55.36 54.09 1oco s GLN 195 Cb 0.00 0.25 -0.06 0.00 1.00 0.00 0.00 33.01 34.20 1oco s GLN 195 CO 0.11 -0.20 1.81 0.00 -2.12 0.00 0.00 175.29 174.89 1oco n SER 197 N 7.97 6.77 -3.50 0.00 7.64 -0.52 -4.87 113.62 127.12 1oco n SER 197 Ca 0.20 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.29 1oco n SER 197 Cb 0.43 -0.93 -0.04 0.00 -1.01 0.00 0.00 64.21 62.65 1oco n SER 197 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1oco s GLU 198 N -3.97 0.38 0.11 1.43 2.56 -1.26 -4.51 118.70 113.43 1oco s GLU 198 Ca 0.49 0.89 -0.33 0.00 0.00 0.00 0.00 54.97 56.02 1oco s GLU 198 Cb 0.39 0.47 -0.13 0.00 2.00 0.00 0.00 34.13 36.86 1oco s GLU 198 CO -0.32 -0.12 1.69 1.51 -0.56 0.00 0.00 175.26 177.47 1oco n ILE 199 N 4.86 0.17 -1.89 -3.70 3.06 -1.26 -4.65 119.36 115.96 1oco n ILE 199 Ca -0.11 -0.03 0.03 0.00 -2.50 0.00 0.00 62.75 60.13 1oco n ILE 199 Cb 0.53 -1.74 0.04 0.00 0.54 0.00 0.00 39.64 39.00 1oco n ILE 199 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1oco n GLY 201 N -0.23 -0.60 0.35 0.00 0.00 -1.26 -4.82 105.19 98.63 1oco n GLY 201 Ca 0.04 -2.18 0.01 0.00 0.00 0.00 0.00 46.02 43.89 1oco n GLY 201 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1oco h SER 202 N 0.00 -1.06 -1.13 1.61 0.02 -2.02 -2.18 113.55 108.79 1oco h SER 202 Ca 0.00 0.27 -0.66 0.00 -0.84 0.00 0.00 61.79 60.56 1oco h SER 202 Cb 0.00 0.61 -0.32 0.00 0.14 0.00 0.00 62.40 62.83 1oco h SER 202 CO 0.00 -0.29 0.46 0.59 -1.14 0.00 0.00 176.83 176.44 1oco n ASN 203 N -5.52 6.93 0.12 3.07 4.13 -1.26 -4.49 115.26 118.24 1oco n ASN 203 Ca 0.11 -3.79 0.08 0.00 1.68 0.00 0.00 54.58 52.67 1oco n ASN 203 Cb 0.42 -0.83 0.56 0.00 -1.54 0.00 0.00 39.78 38.39 1oco n ASN 203 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 1oco h HIS 204 N 2.23 0.21 -0.00 3.10 -0.00 -1.71 -0.23 115.15 118.75 1oco h HIS 204 Ca 0.54 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.91 1oco h HIS 204 Cb 0.85 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.19 1oco h HIS 204 CO 1.24 0.12 -0.04 0.43 -0.00 0.00 0.00 177.93 179.68 1oco n SER 205 N -4.50 0.07 -2.88 3.26 7.64 -1.26 -4.34 113.62 111.61 1oco n SER 205 Ca 0.01 0.09 -0.24 0.00 1.01 0.00 0.00 58.87 59.75 1oco n SER 205 Cb 0.16 -0.33 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 1oco n SER 205 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1oco n PHE 206 N -1.36 2.98 -2.77 1.43 3.72 -0.10 -4.84 117.46 116.52 1oco n PHE 206 Ca 0.11 -3.72 -0.09 0.00 -0.05 0.00 0.00 57.45 53.70 1oco n PHE 206 Cb 0.29 -0.39 0.06 0.00 -0.94 0.00 0.00 39.48 38.50 1oco n PHE 206 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1oco n MET 207 N -0.18 0.88 -0.93 -1.08 0.00 -1.26 -4.63 117.12 109.92 1oco n MET 207 Ca 0.30 -1.93 -0.30 0.00 0.00 0.00 0.00 57.70 55.77 1oco n MET 207 Cb 0.52 -1.29 0.25 0.00 0.00 0.00 0.00 33.22 32.70 1oco n MET 207 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1oco s PRO 208 N 0.35 -1.49 -0.06 3.17 0.04 -1.26 -3.88 135.00 131.86 1oco s PRO 208 Ca 0.28 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1oco s PRO 208 Cb 0.26 -1.56 0.02 0.00 0.04 0.00 0.00 34.50 33.26 1oco s PRO 208 CO -0.16 -3.91 -0.04 0.42 0.04 0.00 0.00 177.00 173.36 1oco s ILE 209 N -2.85 0.58 -0.12 0.56 1.01 0.43 -4.84 121.20 115.97 1oco s ILE 209 Ca 0.70 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 61.29 1oco s ILE 209 Cb -0.11 -0.64 0.02 0.00 0.01 0.00 0.00 42.46 41.73 1oco s ILE 209 CO 0.57 0.26 -0.14 -0.69 0.00 0.00 0.00 174.94 174.94 1oco s VAL 210 N 1.39 1.48 -0.20 2.92 1.01 -1.26 0.03 120.40 125.76 1oco s VAL 210 Ca -0.03 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 1oco s VAL 210 Cb -0.13 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1oco s VAL 210 CO -0.03 0.44 0.08 -0.76 0.00 0.00 0.00 175.10 174.83 1oco s LEU 211 N 1.21 3.81 -0.28 3.92 1.02 0.21 -1.37 118.68 127.19 1oco s LEU 211 Ca -0.02 0.04 -0.03 0.00 0.02 0.00 0.00 54.13 54.14 1oco s LEU 211 Cb -0.14 -1.99 0.03 0.00 0.02 0.00 0.00 46.19 44.12 1oco s LEU 211 CO -0.05 0.12 -0.00 -0.70 0.02 0.00 0.00 176.35 175.73 1oco s GLU 212 N 0.72 2.72 -0.27 1.70 2.12 -0.30 -0.32 118.70 125.07 1oco s GLU 212 Ca 0.04 -1.08 -0.07 0.00 0.36 0.00 0.00 54.97 54.23 1oco s GLU 212 Cb -0.13 -3.16 -0.01 0.00 0.26 0.00 0.00 34.13 31.09 1oco s GLU 212 CO 0.02 -0.51 0.07 -0.51 -0.54 0.00 0.00 175.26 173.79 1oco s LEU 213 N 1.34 3.60 0.19 2.70 1.02 -0.22 -1.12 118.68 126.18 1oco s LEU 213 Ca -0.01 -0.41 0.04 0.00 0.02 0.00 0.00 54.13 53.76 1oco s LEU 213 Cb -0.18 -1.90 -0.05 0.00 0.02 0.00 0.00 46.19 44.08 1oco s LEU 213 CO -0.01 -0.10 -0.04 0.68 0.02 0.00 0.00 176.35 176.89 1oco s VAL 214 N 1.57 1.04 0.57 -1.59 -7.23 -0.77 -2.04 120.40 111.95 1oco s VAL 214 Ca 0.05 -2.04 -0.21 0.00 -1.81 0.00 0.00 61.98 57.98 1oco s VAL 214 Cb -0.16 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1oco s VAL 214 CO 0.03 -0.52 1.31 -2.84 -0.31 0.00 0.00 175.10 172.78 1oco s PRO 215 N -3.82 3.03 0.10 4.82 0.02 -1.26 -1.33 135.00 136.56 1oco s PRO 215 Ca 0.23 2.12 -0.19 0.00 0.02 0.00 0.00 61.00 63.18 1oco s PRO 215 Cb 0.04 -2.14 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1oco s PRO 215 CO 0.05 -1.24 0.98 -0.11 -0.33 0.00 0.00 177.00 176.34 1oco n LEU 216 N -1.26 -0.66 -0.35 -5.54 0.00 -1.26 -0.58 117.00 107.35 1oco n LEU 216 Ca 0.12 1.13 0.01 0.00 0.00 0.00 0.00 56.01 57.27 1oco n LEU 216 Cb 0.46 -0.15 0.07 0.00 0.00 0.00 0.00 43.42 43.81 1oco n LEU 216 CO 0.50 -0.91 0.62 0.50 0.00 0.00 0.00 177.39 178.10 1oco h LYS 217 N 0.00 -0.01 0.00 1.96 3.64 -2.00 1.37 116.57 121.53 1oco h LYS 217 Ca 0.10 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1oco h LYS 217 Cb 0.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1oco h LYS 217 CO -0.59 -0.01 -0.43 1.88 -2.27 0.00 0.00 179.45 178.04 1oco h TYR 218 N -0.01 0.00 0.16 1.91 -1.99 -1.19 -2.57 116.97 113.28 1oco h TYR 218 Ca 0.38 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.10 1oco h TYR 218 Cb 0.63 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.37 1oco h TYR 218 CO -0.80 0.43 -0.08 0.35 -0.00 0.00 0.00 178.16 178.06 1oco h PHE 219 N 0.00 -0.20 -0.27 4.88 3.57 0.27 -1.11 116.94 124.09 1oco h PHE 219 Ca -0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1oco h PHE 219 Cb 0.86 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.62 1oco h PHE 219 CO 0.00 0.00 -0.04 0.93 -2.23 0.00 0.00 178.31 176.97 1oco h GLU 220 N -0.37 0.02 -0.57 1.11 5.08 -0.42 0.11 114.58 119.54 1oco h GLU 220 Ca -0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1oco h GLU 220 Cb 0.29 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1oco h GLU 220 CO 0.04 0.02 0.33 0.87 -1.00 0.00 0.00 179.01 179.26 1oco h LYS 221 N 0.03 0.79 0.06 2.33 1.57 -1.45 -1.97 116.57 117.93 1oco h LYS 221 Ca 0.13 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1oco h LYS 221 Cb 0.19 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1oco h LYS 221 CO -0.25 0.59 -0.06 2.35 -0.57 0.00 0.00 179.45 181.51 1oco h TRP 222 N 0.77 -0.15 -0.53 -1.35 7.01 -0.72 -0.43 115.95 120.56 1oco h TRP 222 Ca 0.20 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.28 1oco h TRP 222 Cb 0.02 0.06 -0.10 0.00 -2.10 0.00 0.00 29.16 27.04 1oco h TRP 222 CO -0.02 -0.09 -0.48 1.03 -2.79 0.00 0.00 178.44 176.09 1oco h SER 223 N -0.13 -1.65 -0.22 2.65 0.87 -0.53 0.23 113.55 114.78 1oco h SER 223 Ca 0.00 0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1oco h SER 223 Cb 0.13 0.72 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 1oco h SER 223 CO -0.02 -0.36 0.13 0.00 -0.53 0.00 0.00 176.83 176.05 1oco h ALA 224 N 0.37 0.28 0.00 6.23 0.00 -1.13 0.61 119.26 125.62 1oco h ALA 224 Ca 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1oco h ALA 224 Cb 0.57 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1oco h ALA 224 CO -0.66 -0.21 -0.02 0.66 0.00 0.00 0.00 179.25 179.02 1oco h SER 225 N 0.26 0.00 0.90 0.00 4.64 -0.72 0.13 113.55 118.76 1oco h SER 225 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1oco h SER 225 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1oco h SER 225 CO -0.01 0.02 0.00 0.80 -0.87 0.00 0.00 176.83 176.76 1oco n MET 226 N -3.95 0.03 0.00 4.77 1.56 0.79 -5.08 117.12 115.25 1oco n MET 226 Ca -0.03 0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1oco n MET 226 Cb 0.10 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 33.97 1oco n MET 226 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52