#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 3.89 0.30 3.17 0.00 -1.26 -4.78 121.76 123.08 1oco s ALA 2 Ca 0.00 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.31 1oco s ALA 2 Cb 0.00 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1oco s ALA 2 CO 0.00 0.70 0.18 1.52 0.00 0.00 0.00 175.76 178.16 1oco s TYR 3 N -1.20 2.90 0.36 0.00 1.13 -1.26 -5.08 117.35 114.20 1oco s TYR 3 Ca 0.22 -0.24 -0.28 0.00 -1.41 0.00 0.00 57.07 55.36 1oco s TYR 3 Cb -0.12 -1.53 -0.12 0.00 -1.10 0.00 0.00 41.96 39.09 1oco s TYR 3 CO 0.13 0.40 1.43 -2.30 -2.51 0.00 0.00 175.55 172.70 1oco n PRO 4 N -1.19 2.48 -3.53 -3.49 -0.02 -1.26 -3.14 135.00 124.85 1oco n PRO 4 Ca -0.05 0.87 -0.22 0.00 -2.02 0.00 0.00 63.50 62.08 1oco n PRO 4 Cb 0.59 -2.55 0.08 0.00 -0.02 0.00 0.00 33.50 31.60 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 0.64 -7.52 -3.02 -0.52 0.00 -1.26 -5.00 117.12 100.44 1oco n MET 5 Ca 0.03 0.81 -0.34 0.00 0.00 0.00 0.00 57.70 58.20 1oco n MET 5 Cb 0.38 -5.78 -0.06 0.00 0.00 0.00 0.00 33.22 27.75 1oco n MET 5 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1oco s GLN 6 N -6.10 4.16 -0.12 2.12 0.74 -1.19 -5.01 119.66 114.27 1oco s GLN 6 Ca 0.47 0.88 -0.07 0.00 0.05 0.00 0.00 55.36 56.69 1oco s GLN 6 Cb -0.21 -2.50 -0.05 0.00 1.10 0.00 0.00 33.01 31.35 1oco s GLN 6 CO 0.71 0.17 -0.17 1.28 -0.55 0.00 0.00 175.29 176.73 1oco n LEU 7 N -0.12 1.01 0.00 3.68 4.32 -1.26 -5.10 117.00 119.54 1oco n LEU 7 Ca 0.03 0.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.19 1oco n LEU 7 Cb 0.53 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 1oco n LEU 7 CO 0.41 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.35 1oco n GLY 8 N 2.23 1.98 3.73 -0.72 0.00 -1.26 -5.09 105.19 106.06 1oco n GLY 8 Ca -0.23 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.40 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 1.96 2.19 0.69 1.61 0.08 -1.26 -5.01 117.98 118.24 1oco s PHE 9 Ca 0.00 1.57 -0.15 0.00 0.12 0.00 0.00 56.93 58.48 1oco s PHE 9 Cb 0.00 -3.45 0.02 0.00 -0.57 0.00 0.00 43.02 39.02 1oco s PHE 9 CO 0.00 -2.43 1.13 -0.65 -0.10 0.00 0.00 175.22 173.17 1oco s GLN 10 N -3.79 2.58 0.30 0.44 -0.21 -1.26 -4.93 119.66 112.79 1oco s GLN 10 Ca 0.74 1.46 -0.29 0.00 0.02 0.00 0.00 55.36 57.29 1oco s GLN 10 Cb -0.29 -1.92 -0.11 0.00 1.00 0.00 0.00 33.01 31.70 1oco s GLN 10 CO 0.42 -1.44 1.49 -0.51 -2.12 0.00 0.00 175.29 173.13 1oco s ASP 11 N -2.52 6.50 -0.07 5.90 1.11 -1.26 -4.83 116.67 121.49 1oco s ASP 11 Ca 0.68 2.86 -0.29 0.00 0.18 0.00 0.00 52.55 55.97 1oco s ASP 11 Cb -0.22 -2.64 -0.07 0.00 1.07 0.00 0.00 42.92 41.06 1oco s ASP 11 CO 0.44 -0.79 1.93 0.00 1.18 0.00 0.00 175.17 177.92 1oco s ALA 12 N -0.42 3.34 -0.52 5.23 0.00 -1.26 -4.70 121.76 123.43 1oco s ALA 12 Ca 0.58 1.01 0.23 0.00 0.00 0.00 0.00 51.96 53.78 1oco s ALA 12 Cb -0.45 -3.89 0.10 0.00 0.00 0.00 0.00 23.12 18.89 1oco s ALA 12 CO 0.51 -1.89 1.08 2.41 0.00 0.00 0.00 175.76 177.87 1oco n THR 13 N 6.18 0.30 -4.36 0.00 -1.04 -0.50 -4.87 114.28 109.98 1oco n THR 13 Ca 0.22 -0.32 -0.18 0.00 -2.04 0.00 0.00 64.05 61.72 1oco n THR 13 Cb 0.43 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.84 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 -4.31 1.98 0.29 8.00 1.04 -1.25 -2.51 113.70 116.94 1oco s SER 14 Ca 0.03 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.22 1oco s SER 14 Cb 0.13 -0.02 0.45 0.00 0.10 0.00 0.00 66.02 66.69 1oco s SER 14 CO 0.78 -0.52 1.84 1.55 0.98 0.00 0.00 173.24 177.88 1oco h PRO 15 N 2.40 0.76 -0.42 4.02 0.13 -1.91 -2.74 132.00 134.24 1oco h PRO 15 Ca -0.39 -0.15 -0.09 0.00 -0.87 0.00 0.00 66.00 64.50 1oco h PRO 15 Cb 1.23 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1oco h PRO 15 CO 0.65 0.70 -0.11 -0.84 -0.23 0.00 0.00 178.00 178.17 1oco h ILE 16 N 0.73 1.27 -0.10 -3.56 -0.00 -1.94 -1.32 117.51 112.60 1oco h ILE 16 Ca 0.16 -1.21 0.03 0.00 -0.00 0.00 0.00 64.86 63.84 1oco h ILE 16 Cb 0.29 1.19 -0.00 0.00 -0.00 0.00 0.00 36.82 38.30 1oco h ILE 16 CO -0.00 0.41 0.07 -0.03 -0.00 0.00 0.00 178.15 178.60 1oco h MET 17 N 0.63 0.00 -0.11 0.16 4.05 -1.68 0.15 114.93 118.14 1oco h MET 17 Ca 0.10 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.39 1oco h MET 17 Cb 0.64 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.45 1oco h MET 17 CO 0.04 0.00 -0.48 0.93 0.23 0.00 0.00 176.91 177.63 1oco h GLU 18 N 0.00 0.51 -0.79 0.39 5.08 -1.17 -2.58 114.58 116.02 1oco h GLU 18 Ca 0.05 -0.41 0.13 0.00 -1.00 0.00 0.00 59.36 58.12 1oco h GLU 18 Cb 0.18 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.43 1oco h GLU 18 CO -0.00 1.04 0.38 1.49 -1.00 0.00 0.00 179.01 180.92 1oco h GLU 19 N 0.11 0.57 -0.33 2.33 4.57 0.10 -1.39 114.58 120.55 1oco h GLU 19 Ca -0.03 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 57.98 1oco h GLU 19 Cb 1.12 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 1oco h GLU 19 CO 0.10 0.38 -0.36 -0.07 -1.18 0.00 0.00 179.01 177.88 1oco h LEU 20 N 0.59 0.80 -0.22 1.64 3.38 -0.77 -1.97 115.31 118.75 1oco h LEU 20 Ca 0.41 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1oco h LEU 20 Cb 0.54 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1oco h LEU 20 CO -0.34 1.08 0.01 -0.07 0.09 0.00 0.00 178.44 179.22 1oco h LEU 21 N 0.63 -0.06 -0.75 1.67 3.38 -0.85 0.24 115.31 119.57 1oco h LEU 21 Ca 0.06 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1oco h LEU 21 Cb 0.91 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1oco h LEU 21 CO 0.08 0.00 0.29 0.45 0.09 0.00 0.00 178.44 179.36 1oco h HIS 22 N 0.09 1.16 -0.15 1.13 3.86 -1.31 -0.91 115.15 119.02 1oco h HIS 22 Ca 0.11 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1oco h HIS 22 Cb 0.12 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 1oco h HIS 22 CO -0.18 0.88 0.05 0.35 0.86 0.00 0.00 177.93 179.90 1oco h PHE 23 N 1.09 0.23 -0.29 2.45 3.57 -0.93 -0.98 116.94 122.09 1oco h PHE 23 Ca 0.25 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.79 1oco h PHE 23 Cb 0.22 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1oco h PHE 23 CO 0.02 0.34 0.20 1.25 -2.23 0.00 0.00 178.31 177.89 1oco h HIS 24 N 0.06 0.12 -0.26 0.41 2.76 -0.24 0.17 115.15 118.17 1oco h HIS 24 Ca 0.05 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.07 1oco h HIS 24 Cb 0.21 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 1oco h HIS 24 CO -0.00 0.06 -0.44 -0.44 -1.30 0.00 0.00 177.93 175.81 1oco h ASP 25 N 0.12 0.84 0.90 3.26 3.32 -0.63 0.31 116.42 124.54 1oco h ASP 25 Ca 0.13 -0.52 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 1oco h ASP 25 Cb 0.38 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.70 1oco h ASP 25 CO -0.02 1.20 -0.46 -0.74 -1.72 0.00 0.00 179.24 177.51 1oco h HIS 26 N 0.50 -1.20 -0.60 4.55 -0.00 0.20 -0.95 115.15 117.66 1oco h HIS 26 Ca 0.02 -0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.47 1oco h HIS 26 Cb 1.03 0.41 -0.08 0.00 -0.00 0.00 0.00 27.41 28.77 1oco h HIS 26 CO 0.08 -0.73 0.19 1.15 -0.00 0.00 0.00 177.93 178.62 1oco h THR 27 N -1.25 0.72 -0.36 6.26 2.02 -0.75 -1.89 112.91 117.66 1oco h THR 27 Ca -0.12 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1oco h THR 27 Cb 0.97 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1oco h THR 27 CO 0.19 0.06 0.09 0.25 0.37 0.00 0.00 175.52 176.48 1oco h LEU 28 N 0.35 0.48 -0.28 2.58 5.85 -0.80 -1.56 115.31 121.93 1oco h LEU 28 Ca 0.31 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1oco h LEU 28 Cb 0.41 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1oco h LEU 28 CO -0.34 0.49 0.18 -0.03 -0.34 0.00 0.00 178.44 178.40 1oco h MET 29 N 0.52 0.36 -0.12 1.25 4.05 -0.35 -1.58 114.93 119.06 1oco h MET 29 Ca 0.12 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 1oco h MET 29 Cb 0.20 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1oco h MET 29 CO -0.00 0.24 0.05 0.82 0.23 0.00 0.00 176.91 178.24 1oco h ILE 30 N 0.37 1.14 -0.12 1.77 2.04 -1.14 -1.31 117.51 120.26 1oco h ILE 30 Ca 0.10 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.54 1oco h ILE 30 Cb -0.03 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1oco h ILE 30 CO -0.03 0.13 0.08 -0.37 0.00 0.00 0.00 178.15 177.96 1oco h VAL 31 N 0.05 1.02 -0.41 1.67 -1.51 -1.16 -0.76 116.25 115.14 1oco h VAL 31 Ca 0.04 -0.05 -0.08 0.00 -1.23 0.00 0.00 66.70 65.38 1oco h VAL 31 Cb 0.16 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 1oco h VAL 31 CO -0.00 0.03 -0.06 -0.26 -1.23 0.00 0.00 177.57 176.04 1oco h PHE 32 N 0.14 0.86 0.58 5.19 0.04 -0.69 -0.10 116.94 122.95 1oco h PHE 32 Ca 0.05 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 1oco h PHE 32 Cb 0.02 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 1oco h PHE 32 CO -0.00 0.87 -0.43 1.25 -0.60 0.00 0.00 178.31 179.40 1oco h LEU 33 N 0.59 -1.13 -0.27 1.54 6.46 -0.06 -1.58 115.31 120.88 1oco h LEU 33 Ca 0.11 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.99 1oco h LEU 33 Cb 0.57 0.35 -0.04 0.00 -0.73 0.00 0.00 40.66 40.81 1oco h LEU 33 CO 0.03 -0.62 0.00 0.40 -0.62 0.00 0.00 178.44 177.64 1oco h ILE 34 N -0.97 0.81 0.00 4.05 1.08 -1.20 -0.66 117.51 120.62 1oco h ILE 34 Ca -0.08 -0.03 -0.04 0.00 -0.39 0.00 0.00 64.86 64.33 1oco h ILE 34 Cb 0.80 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 1oco h ILE 34 CO 0.03 0.02 -0.18 0.77 -0.69 0.00 0.00 178.15 178.10 1oco h SER 35 N 0.08 0.00 0.83 1.72 4.64 -0.97 -1.01 113.55 118.83 1oco h SER 35 Ca 0.13 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.21 1oco h SER 35 Cb 0.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 1oco h SER 35 CO -0.21 0.18 -1.23 0.77 -0.87 0.00 0.00 176.83 175.46 1oco h SER 36 N 0.00 0.02 -0.15 4.97 4.64 -0.89 -3.05 113.55 119.08 1oco h SER 36 Ca -0.00 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1oco h SER 36 Cb 0.56 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1oco h SER 36 CO 0.02 1.02 0.01 0.25 -0.87 0.00 0.00 176.83 177.26 1oco h LEU 37 N 0.00 0.26 -2.16 5.97 5.85 -0.59 -1.38 115.31 123.27 1oco h LEU 37 Ca -0.10 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 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 0.49 -0.02 0.58 -0.34 0.00 0.00 178.44 179.27 1oco h VAL 38 N 0.02 0.08 0.03 1.05 2.07 -1.28 -0.83 116.25 117.39 1oco h VAL 38 Ca 0.04 -0.31 -0.30 0.00 0.82 0.00 0.00 66.70 66.96 1oco h VAL 38 Cb 0.36 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1oco h VAL 38 CO 0.01 0.02 -1.69 0.25 0.02 0.00 0.00 177.57 176.17 1oco h LEU 39 N 0.00 0.11 0.30 2.57 5.85 -1.40 -3.02 115.31 119.72 1oco h LEU 39 Ca -0.00 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1oco h LEU 39 Cb 0.28 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1oco h LEU 39 CO 0.00 1.20 -0.14 0.22 -0.34 0.00 0.00 178.44 179.38 1oco h TYR 40 N 0.02 -0.37 -0.90 1.25 5.03 -0.70 -2.72 116.97 118.58 1oco h TYR 40 Ca -0.29 -0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.18 1oco h TYR 40 Cb 2.00 0.12 -0.07 0.00 1.55 0.00 0.00 36.73 40.33 1oco h TYR 40 CO 0.02 -0.02 0.58 0.82 -1.32 0.00 0.00 178.16 178.25 1oco h ILE 41 N -0.87 0.77 -0.21 1.81 1.08 -1.32 -0.54 117.51 118.23 1oco h ILE 41 Ca -0.04 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 1oco h ILE 41 Cb 0.52 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.37 1oco h ILE 41 CO 0.07 0.11 0.01 0.40 -0.69 0.00 0.00 178.15 178.04 1oco h ILE 42 N 0.61 1.25 0.00 -0.67 2.04 -1.51 -1.71 117.51 117.52 1oco h ILE 42 Ca 0.47 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 1oco h ILE 42 Cb 0.88 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1oco h ILE 42 CO -0.22 0.26 -0.29 0.77 0.00 0.00 0.00 178.15 178.68 1oco h SER 43 N 0.13 0.00 0.09 1.72 4.64 -0.99 -2.11 113.55 117.03 1oco h SER 43 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1oco h SER 43 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1oco h SER 43 CO 0.01 0.29 -0.04 0.25 -0.87 0.00 0.00 176.83 176.47 1oco h LEU 44 N 0.00 -0.11 -1.58 5.97 5.85 -0.98 -1.99 115.31 122.48 1oco h LEU 44 Ca -0.00 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.59 1oco h LEU 44 Cb 0.68 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1oco h LEU 44 CO 0.04 0.16 0.42 0.24 -0.34 0.00 0.00 178.44 178.96 1oco h MET 45 N -0.38 0.46 -0.34 1.25 2.86 -0.85 -1.04 114.93 116.89 1oco h MET 45 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1oco h MET 45 Cb 0.32 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1oco h MET 45 CO 0.02 0.31 0.00 1.28 1.06 0.00 0.00 176.91 179.58 1oco n LEU 46 N -4.48 2.75 -1.13 1.22 4.77 -0.84 -4.44 117.00 114.86 1oco n LEU 46 Ca 0.10 -1.21 -0.02 0.00 -0.03 0.00 0.00 56.01 54.85 1oco n LEU 46 Cb 0.35 -0.22 0.21 0.00 -2.33 0.00 0.00 43.42 41.43 1oco n LEU 46 CO 0.34 0.61 0.72 0.35 -1.33 0.00 0.00 177.39 178.07 1oco n THR 47 N 1.03 2.51 -4.05 -5.08 -2.24 -0.40 -5.01 114.28 101.04 1oco n THR 47 Ca 0.18 -2.50 -0.13 0.00 -2.27 0.00 0.00 64.05 59.33 1oco n THR 47 Cb 0.49 -0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 68.28 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 -3.15 0.38 -0.78 4.28 -1.32 -1.26 -5.01 115.64 108.78 1oco s THR 48 Ca 0.44 -0.77 0.26 0.00 -1.21 0.00 0.00 61.69 60.41 1oco s THR 48 Cb 0.39 -0.43 0.15 0.00 -1.51 0.00 0.00 72.50 71.10 1oco s THR 48 CO 0.02 -0.27 1.57 0.29 -2.21 0.00 0.00 174.62 174.02 1oco n LYS 49 N 1.94 0.19 -1.84 7.08 4.76 -1.26 -4.89 118.16 124.14 1oco n LYS 49 Ca -0.20 0.10 -0.41 0.00 -2.87 0.00 0.00 58.31 54.93 1oco n LYS 49 Cb 0.56 -1.66 -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 -3.94 4.35 0.11 -0.35 1.43 -1.26 -5.01 118.68 114.00 1oco s LEU 50 Ca 0.10 2.94 0.08 0.00 -1.03 0.00 0.00 54.13 56.21 1oco s LEU 50 Cb 0.15 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 1oco s LEU 50 CO 0.65 -0.84 -0.19 0.42 0.23 0.00 0.00 176.35 176.62 1oco s THR 51 N -0.53 1.59 -0.45 5.49 -4.23 -1.26 -5.07 115.64 111.18 1oco s THR 51 Ca 0.58 -1.57 0.06 0.00 -1.18 0.00 0.00 61.69 59.58 1oco s THR 51 Cb -0.46 -1.51 0.18 0.00 1.34 0.00 0.00 72.50 72.05 1oco s THR 51 CO 0.54 -0.15 0.61 -2.28 -0.54 0.00 0.00 174.62 172.80 1oco s HIS 52 N -1.37 -1.18 -1.59 3.99 5.04 -1.26 -5.02 115.29 113.90 1oco s HIS 52 Ca 0.06 -0.54 0.24 0.00 -1.54 0.00 0.00 55.06 53.28 1oco s HIS 52 Cb -0.09 0.09 0.36 0.00 0.04 0.00 0.00 32.58 32.97 1oco s HIS 52 CO 0.04 -1.16 1.31 0.25 -2.34 0.00 0.00 174.74 172.84 1oco n THR 53 N 3.56 0.00 -1.10 0.89 -2.24 -1.26 -4.95 114.28 109.18 1oco n THR 53 Ca 0.16 -0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.53 1oco n THR 53 Cb 0.54 0.70 0.18 0.00 -2.10 0.00 0.00 70.33 69.65 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 -2.65 2.54 0.27 3.42 1.04 -1.26 -4.94 113.70 112.12 1oco s SER 54 Ca 0.18 1.27 -0.31 0.00 0.48 0.00 0.00 55.95 57.58 1oco s SER 54 Cb 0.18 -1.95 -0.12 0.00 0.10 0.00 0.00 66.02 64.23 1oco s SER 54 CO 0.62 -3.20 1.60 0.41 0.98 0.00 0.00 173.24 173.65 1oco n THR 55 N -4.23 0.83 -4.18 2.02 -1.04 -1.26 -5.02 114.28 101.40 1oco n THR 55 Ca 0.05 -0.21 -0.29 0.00 -2.04 0.00 0.00 64.05 61.56 1oco n THR 55 Cb 0.57 -1.91 -0.09 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 -0.19 2.35 -0.27 -2.82 1.00 -1.26 -5.11 119.30 113.00 1oco s MET 56 Ca 0.67 -0.97 -0.21 0.00 0.00 0.00 0.00 55.69 55.18 1oco s MET 56 Cb -0.52 -2.41 -0.01 0.00 0.00 0.00 0.00 34.83 31.89 1oco s MET 56 CO 0.46 0.51 0.64 0.34 0.00 0.00 0.00 175.02 176.97 1oco s ASP 57 N -2.41 6.57 0.04 3.03 2.15 -1.26 -5.05 116.67 119.74 1oco s ASP 57 Ca 0.24 0.64 0.00 0.00 0.43 0.00 0.00 52.55 53.86 1oco s ASP 57 Cb -0.11 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1oco s ASP 57 CO 0.17 -0.42 0.00 0.00 -0.17 0.00 0.00 175.17 174.75 1oco n ALA 58 N 5.79 0.00 0.00 3.66 0.00 -1.26 -4.62 120.51 124.08 1oco n ALA 58 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 -0.29 0.00 -0.06 -1.26 -4.43 117.38 111.27 1oco n GLN 59 Ca 0.00 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.12 1oco n GLN 59 Cb 0.00 0.00 0.27 0.00 -4.06 0.00 0.00 30.24 26.45 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 0.17 0.00 3.69 -0.00 -2.03 0.46 114.58 116.87 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 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 28.71 1oco h GLU 60 CO 0.00 0.11 -0.90 1.55 -0.00 0.00 0.00 179.01 179.78 1oco n VAL 61 N -5.26 0.31 0.25 -1.06 3.14 -1.26 -3.95 118.33 110.50 1oco n VAL 61 Ca 0.20 -0.31 0.12 0.00 -2.96 0.00 0.00 64.34 61.39 1oco n VAL 61 Cb 0.66 -0.01 0.68 0.00 -1.06 0.00 0.00 33.84 34.10 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 -0.23 1.45 5.08 -0.39 -2.70 114.58 117.79 1oco h GLU 62 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1oco h GLU 62 Cb 0.79 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.04 1oco h GLU 62 CO 0.00 0.14 -0.66 1.79 -1.00 0.00 0.00 179.01 179.28 1oco h THR 63 N 0.00 1.27 0.85 1.13 1.35 -1.56 -2.99 112.91 112.97 1oco h THR 63 Ca -0.00 -1.85 -0.04 0.00 -0.55 0.00 0.00 66.41 63.97 1oco h THR 63 Cb 0.39 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1oco h THR 63 CO 0.02 0.60 -0.45 0.40 -0.25 0.00 0.00 175.52 175.84 1oco h ILE 64 N 0.62 0.10 0.00 6.82 2.04 -1.71 0.18 117.51 125.55 1oco h ILE 64 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1oco h ILE 64 Cb 1.28 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1oco h ILE 64 CO 0.14 0.00 0.00 -2.67 0.00 0.00 0.00 178.15 175.62 1oco n TRP 65 N -5.61 0.00 0.00 1.37 2.14 -1.09 -1.75 117.44 112.50 1oco n TRP 65 Ca -0.15 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.42 1oco n TRP 65 Cb 0.48 -0.02 0.00 0.00 -0.81 0.00 0.00 31.31 30.97 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 -0.25 0.00 0.07 -1.67 5.66 -0.96 -4.60 114.28 112.52 1oco n THR 66 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1oco n THR 66 Cb 0.04 -0.97 -0.03 0.00 -1.55 0.00 0.00 70.33 67.82 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 1.41 0.03 1.09 5.03 -0.38 -3.13 117.51 121.56 1oco h ILE 67 Ca 0.00 -2.42 -0.00 0.00 -0.12 0.00 0.00 64.86 62.32 1oco h ILE 67 Cb 1.00 2.37 0.00 0.00 -3.03 0.00 0.00 36.82 37.16 1oco h ILE 67 CO 0.00 0.72 -0.01 0.25 -0.68 0.00 0.00 178.15 178.43 1oco h LEU 68 N 0.23 -0.03 -2.14 1.44 5.85 -1.54 -1.99 115.31 117.12 1oco h LEU 68 Ca -0.07 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1oco h LEU 68 Cb 1.53 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.57 1oco h LEU 68 CO 0.15 0.09 -0.00 -0.65 -0.34 0.00 0.00 178.44 177.69 1oco h PRO 69 N -0.15 0.00 -0.14 5.25 0.11 -1.79 -1.66 132.00 133.62 1oco h PRO 69 Ca -0.00 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 1oco h PRO 69 Cb 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1oco h PRO 69 CO 0.01 0.00 -0.50 0.00 -0.21 0.00 0.00 178.00 177.30 1oco h ALA 70 N 2.00 0.89 -0.36 -0.75 0.00 -1.34 -2.00 119.26 117.69 1oco h ALA 70 Ca -0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 1oco h ALA 70 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1oco h ALA 70 CO 0.00 0.66 -0.29 0.82 0.00 0.00 0.00 179.25 180.44 1oco h ILE 71 N 0.29 1.28 -0.25 0.00 2.04 -0.62 -2.91 117.51 117.35 1oco h ILE 71 Ca 0.01 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.42 1oco h ILE 71 Cb 0.98 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1oco h ILE 71 CO 0.08 0.48 0.16 0.40 0.00 0.00 0.00 178.15 179.27 1oco h ILE 72 N 0.63 1.07 -0.40 -0.67 2.04 -1.27 -2.07 117.51 116.85 1oco h ILE 72 Ca 0.07 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.86 1oco h ILE 72 Cb 0.87 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1oco h ILE 72 CO 0.08 0.07 0.27 -0.07 0.00 0.00 0.00 178.15 178.49 1oco h LEU 73 N 0.33 0.21 -0.49 1.44 3.38 -1.34 0.52 115.31 119.36 1oco h LEU 73 Ca 0.09 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1oco h LEU 73 Cb -0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1oco h LEU 73 CO -0.02 0.14 -0.45 0.40 0.09 0.00 0.00 178.44 178.60 1oco h ILE 74 N 0.24 1.29 0.00 1.22 2.04 -1.19 0.39 117.51 121.50 1oco h ILE 74 Ca 0.18 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.40 1oco h ILE 74 Cb 0.39 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1oco h ILE 74 CO -0.03 0.53 0.00 0.18 0.00 0.00 0.00 178.15 178.82 1oco n LEU 75 N -4.02 0.56 -0.11 1.44 4.77 0.13 -1.93 117.00 117.84 1oco n LEU 75 Ca -0.03 0.69 -0.23 0.00 -0.03 0.00 0.00 56.01 56.42 1oco n LEU 75 Cb 0.56 -0.68 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 1oco n LEU 75 CO 0.47 -0.72 -1.27 -0.38 -1.33 0.00 0.00 177.39 174.16 1oco n ILE 76 N -2.18 1.24 -0.36 -0.08 5.41 -0.94 -4.52 119.36 117.93 1oco n ILE 76 Ca 0.00 -0.33 0.09 0.00 1.00 0.00 0.00 62.75 63.51 1oco n ILE 76 Cb 0.13 -1.74 0.27 0.00 -0.71 0.00 0.00 39.64 37.58 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 -0.72 1.57 0.51 -1.39 0.00 -0.81 -1.48 119.26 116.94 1oco h ALA 77 Ca -0.57 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1oco h ALA 77 Cb 1.53 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1oco h ALA 77 CO -0.32 0.15 -0.24 -0.07 0.00 0.00 0.00 179.25 178.77 1oco h LEU 78 N 0.93 -0.57 -1.23 0.00 3.38 -1.63 0.12 115.31 116.31 1oco h LEU 78 Ca 0.52 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.74 1oco h LEU 78 Cb 0.60 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 1oco h LEU 78 CO -0.29 -0.40 0.63 -0.65 0.09 0.00 0.00 178.44 177.82 1oco h PRO 79 N -0.70 0.51 0.05 1.13 0.11 -1.76 -0.88 132.00 130.45 1oco h PRO 79 Ca -0.07 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 1oco h PRO 79 Cb 0.52 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1oco h PRO 79 CO 0.11 0.34 -0.02 1.03 -0.21 0.00 0.00 178.00 179.25 1oco h SER 80 N 0.53 -0.05 -0.00 -2.05 0.87 -1.12 -2.94 113.55 108.78 1oco h SER 80 Ca 0.58 -0.35 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1oco h SER 80 Cb 1.25 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 1oco h SER 80 CO -0.33 0.32 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.17 1oco h LEU 81 N -0.44 0.14 0.46 2.23 3.38 0.56 -2.47 115.31 119.17 1oco h LEU 81 Ca -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1oco h LEU 81 Cb 0.40 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1oco h LEU 81 CO 0.01 0.21 -0.22 -0.09 0.09 0.00 0.00 178.44 178.44 1oco h ARG 82 N 0.15 -0.60 -0.00 1.13 2.43 -1.25 -1.55 114.38 114.69 1oco h ARG 82 Ca 0.03 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1oco h ARG 82 Cb 0.19 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1oco h ARG 82 CO 0.01 -0.37 0.00 0.82 -1.51 0.00 0.00 179.97 178.93 1oco h ILE 83 N -0.68 0.80 -0.11 1.20 2.04 -1.36 -0.63 117.51 118.77 1oco h ILE 83 Ca -0.06 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.65 1oco h ILE 83 Cb 0.51 1.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1oco h ILE 83 CO 0.10 0.00 -0.49 0.25 0.00 0.00 0.00 178.15 178.01 1oco h LEU 84 N 0.00 0.63 -0.71 1.44 5.85 -0.91 -0.89 115.31 120.71 1oco h LEU 84 Ca 0.00 -0.63 -0.14 0.00 0.84 0.00 0.00 57.88 57.95 1oco h LEU 84 Cb 0.01 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1oco h LEU 84 CO -0.00 1.16 -0.53 1.88 -0.34 0.00 0.00 178.44 180.60 1oco h TYR 85 N 0.14 0.37 -0.76 1.25 -1.99 -0.89 -2.50 116.97 112.59 1oco h TYR 85 Ca -0.03 -0.13 -0.01 0.00 2.00 0.00 0.00 58.73 60.57 1oco h TYR 85 Cb 1.13 -0.07 -0.04 0.00 2.00 0.00 0.00 36.73 39.76 1oco h TYR 85 CO 0.11 0.77 0.45 1.98 -0.00 0.00 0.00 178.16 181.47 1oco h MET 86 N 0.23 1.03 -0.16 4.88 4.05 -1.02 -2.61 114.93 121.32 1oco h MET 86 Ca 0.00 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.28 1oco h MET 86 Cb 1.02 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1oco h MET 86 CO 0.09 0.72 -0.12 0.52 0.23 0.00 0.00 176.91 178.35 1oco h MET 87 N 1.04 0.37 0.00 0.39 2.86 -0.73 -2.72 114.93 116.14 1oco h MET 87 Ca 0.27 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1oco h MET 87 Cb -0.03 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1oco h MET 87 CO -0.05 0.71 0.04 -0.25 1.06 0.00 0.00 176.91 178.42 1oco n ASP 88 N -4.58 0.23 -4.54 1.22 9.92 -1.01 -4.35 116.55 113.45 1oco n ASP 88 Ca -0.06 0.58 -0.41 0.00 -0.53 0.00 0.00 54.79 54.37 1oco n ASP 88 Cb 0.34 -0.61 -0.03 0.00 -0.64 0.00 0.00 41.12 40.18 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 -3.19 3.47 -0.04 -1.24 -1.05 -1.03 -4.78 118.70 110.84 1oco s GLU 89 Ca -0.01 -0.97 -0.16 0.00 -0.15 0.00 0.00 54.97 53.68 1oco s GLU 89 Cb 0.03 -4.96 -0.09 0.00 -0.44 0.00 0.00 34.13 28.66 1oco s GLU 89 CO 0.08 -2.12 0.65 0.97 0.95 0.00 0.00 175.26 175.79 1oco h ILE 90 N 6.45 0.18 -4.83 1.83 2.10 -1.87 -3.49 117.51 117.88 1oco h ILE 90 Ca 0.05 -0.73 0.00 0.00 1.08 0.00 0.00 64.86 65.26 1oco h ILE 90 Cb 1.02 0.30 0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1oco h ILE 90 CO 1.34 0.05 0.00 0.59 -1.08 0.00 0.00 178.15 179.05 1oco n ASN 91 N -5.08 -4.02 -3.44 2.19 3.02 -1.26 -4.58 115.26 102.10 1oco n ASN 91 Ca -0.07 0.90 -0.19 0.00 -0.03 0.00 0.00 54.58 55.19 1oco n ASN 91 Cb 0.21 -1.41 0.01 0.00 -0.61 0.00 0.00 39.78 37.98 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 -6.10 -4.77 6.41 2.04 -1.26 -5.03 115.26 108.77 1oco n ASN 92 Ca 0.00 -0.40 -0.38 0.00 -0.44 0.00 0.00 54.58 53.36 1oco n ASN 92 Cb 0.00 -3.03 -0.02 0.00 -2.53 0.00 0.00 39.78 34.20 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 -3.67 4.05 0.00 -0.53 0.04 -1.26 -4.85 135.00 128.78 1oco s PRO 93 Ca 0.11 1.81 0.21 0.00 0.04 0.00 0.00 61.00 63.17 1oco s PRO 93 Cb -0.02 -2.65 0.26 0.00 0.04 0.00 0.00 34.50 32.14 1oco s PRO 93 CO 0.84 -0.32 1.24 -1.13 0.04 0.00 0.00 177.00 177.68 1oco n SER 94 N 0.03 3.00 -3.59 6.66 3.41 -0.80 -4.95 113.62 117.38 1oco n SER 94 Ca 0.04 -1.91 -0.15 0.00 -0.26 0.00 0.00 58.87 56.60 1oco n SER 94 Cb 0.47 -0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.59 -0.06 -0.23 1.04 2.96 -1.26 -5.08 118.68 114.46 1oco s LEU 95 Ca 0.29 0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 54.46 1oco s LEU 95 Cb 0.19 2.08 0.08 0.00 0.50 0.00 0.00 46.19 49.04 1oco s LEU 95 CO 0.27 -0.65 0.09 -0.89 -1.32 0.00 0.00 176.35 173.86 1oco s THR 96 N -1.95 0.18 -0.03 3.68 2.01 -1.26 -2.13 115.64 116.15 1oco s THR 96 Ca -0.08 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.34 1oco s THR 96 Cb -0.01 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1oco s THR 96 CO 0.02 -0.45 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.81 1oco s VAL 97 N 1.99 4.13 0.21 3.82 1.01 -0.92 -4.37 120.40 126.28 1oco s VAL 97 Ca 0.04 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.60 1oco s VAL 97 Cb -0.16 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1oco s VAL 97 CO -0.19 0.46 0.03 -0.54 0.00 0.00 0.00 175.10 174.86 1oco s LYS 98 N -1.29 2.46 0.01 2.72 1.02 -0.02 -2.44 119.74 122.20 1oco s LYS 98 Ca 0.17 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 54.98 1oco s LYS 98 Cb -0.11 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.84 1oco s LYS 98 CO 0.07 0.42 -0.02 -0.08 -0.92 0.00 0.00 175.35 174.82 1oco s THR 99 N -1.95 0.08 -0.05 2.17 -1.32 -0.82 -0.64 115.64 113.12 1oco s THR 99 Ca 0.29 -0.58 -0.01 0.00 -1.21 0.00 0.00 61.69 60.18 1oco s THR 99 Cb -0.08 -0.18 0.03 0.00 -1.51 0.00 0.00 72.50 70.76 1oco s THR 99 CO 0.20 -0.31 0.03 -0.04 -2.21 0.00 0.00 174.62 172.29 1oco s MET 100 N -0.93 0.16 0.43 7.08 -1.94 0.24 -2.44 119.30 121.90 1oco s MET 100 Ca -0.10 0.25 -0.23 0.00 -1.71 0.00 0.00 55.69 53.90 1oco s MET 100 Cb -0.06 -0.61 -0.09 0.00 2.01 0.00 0.00 34.83 36.08 1oco s MET 100 CO -0.01 -0.28 1.07 0.20 -0.01 0.00 0.00 175.02 175.99 1oco s GLY 101 N 1.88 2.71 0.03 -0.03 0.00 -0.25 -2.29 107.32 109.36 1oco s GLY 101 Ca 0.02 0.73 -0.01 0.00 0.00 0.00 0.00 44.72 45.46 1oco s GLY 101 CO -0.03 1.15 -0.01 0.30 0.00 0.00 0.00 173.10 174.50 1oco s HIS 102 N -1.69 0.34 -0.84 1.90 3.76 -0.43 -0.93 115.29 117.40 1oco s HIS 102 Ca 0.61 -0.70 -0.26 0.00 -0.15 0.00 0.00 55.06 54.56 1oco s HIS 102 Cb -0.22 -0.25 -0.13 0.00 1.11 0.00 0.00 32.58 33.09 1oco s HIS 102 CO 0.28 -0.27 2.30 -1.14 -0.85 0.00 0.00 174.74 175.06 1oco s GLN 103 N -2.39 1.74 0.00 1.40 0.74 -1.26 -1.68 119.66 118.20 1oco s GLN 103 Ca -0.07 0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.60 1oco s GLN 103 Cb -0.03 -4.85 0.00 0.00 1.10 0.00 0.00 33.01 29.23 1oco s GLN 103 CO -0.04 -4.35 0.00 0.91 -0.55 0.00 0.00 175.29 171.26 1oco n TRP 104 N 17.93 0.00 0.00 1.67 8.01 -1.26 -5.08 117.44 138.70 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 -0.76 0.00 0.00 -2.01 0.00 0.00 31.31 28.99 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 -1.29 0.00 -4.02 -5.99 0.18 -0.68 -4.79 117.16 100.58 1oco n TYR 105 Ca 0.00 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.47 1oco n TYR 105 Cb 0.30 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.20 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 -1.86 3.28 -0.04 -3.48 0.52 -1.11 -1.31 118.94 114.94 1oco s TRP 106 Ca 0.00 0.13 0.03 0.00 0.02 0.00 0.00 56.10 56.28 1oco s TRP 106 Cb 0.00 -1.66 0.00 0.00 -1.15 0.00 0.00 33.47 30.66 1oco s TRP 106 CO 0.00 0.54 -0.11 -1.54 0.02 0.00 0.00 176.95 175.86 1oco s SER 107 N -2.38 1.49 0.24 2.95 1.04 -0.97 -0.06 113.70 116.01 1oco s SER 107 Ca 0.30 -0.24 0.08 0.00 0.48 0.00 0.00 55.95 56.58 1oco s SER 107 Cb -0.12 -0.45 -0.04 0.00 0.10 0.00 0.00 66.02 65.50 1oco s SER 107 CO 0.23 0.08 0.08 -0.31 0.98 0.00 0.00 173.24 174.30 1oco s TYR 108 N 0.24 2.90 -0.08 5.02 1.51 -0.33 -0.59 117.35 126.02 1oco s TYR 108 Ca -0.05 -0.15 -0.03 0.00 -1.01 0.00 0.00 57.07 55.83 1oco s TYR 108 Cb -0.10 -1.32 0.04 0.00 -0.11 0.00 0.00 41.96 40.47 1oco s TYR 108 CO 0.01 0.56 0.10 -1.21 -1.11 0.00 0.00 175.55 173.90 1oco s GLU 109 N -3.56 -0.01 -0.39 -0.62 2.02 0.18 -1.94 118.70 114.38 1oco s GLU 109 Ca 0.31 0.35 -0.05 0.00 0.02 0.00 0.00 54.97 55.60 1oco s GLU 109 Cb -0.08 -0.69 0.08 0.00 0.10 0.00 0.00 34.13 33.55 1oco s GLU 109 CO 0.22 -0.39 0.18 0.71 0.02 0.00 0.00 175.26 176.00 1oco s TYR 110 N 2.21 3.41 -0.14 1.61 1.51 0.55 -0.84 117.35 125.66 1oco s TYR 110 Ca 0.04 -1.90 0.15 0.00 -1.01 0.00 0.00 57.07 54.35 1oco s TYR 110 Cb -0.13 -2.86 0.33 0.00 -0.11 0.00 0.00 41.96 39.19 1oco s TYR 110 CO -0.05 -0.88 1.17 0.25 -1.11 0.00 0.00 175.55 174.93 1oco n THR 111 N 4.74 1.75 -0.16 -0.71 -2.24 -1.26 -1.76 114.28 114.64 1oco n THR 111 Ca -0.08 -2.41 -0.05 0.00 -2.27 0.00 0.00 64.05 59.24 1oco n THR 111 Cb 0.42 -0.10 0.04 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.47 0.39 0.00 3.42 3.32 -1.93 -3.41 116.42 118.69 1oco h ASP 112 Ca -0.02 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1oco h ASP 112 Cb 1.09 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1oco h ASP 112 CO 0.01 0.28 0.00 -1.22 -1.72 0.00 0.00 179.24 176.58 1oco n TYR 113 N -4.86 -0.19 -0.59 4.55 4.01 -1.26 -5.10 117.16 113.72 1oco n TYR 113 Ca 0.04 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1oco n TYR 113 Cb 0.11 0.06 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 -3.15 1.89 -2.86 -0.72 4.07 -1.26 -5.03 120.64 113.59 1oco n GLU 114 Ca 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.93 1oco n GLU 114 Cb 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.38 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 2.03 -4.74 4.31 9.92 -1.26 -4.38 116.55 122.43 1oco n ASP 115 Ca 0.00 -3.07 -0.41 0.00 -0.53 0.00 0.00 54.79 50.78 1oco n ASP 115 Cb 0.00 -0.56 -0.03 0.00 -0.64 0.00 0.00 41.12 39.89 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 -2.98 4.44 -0.29 0.64 2.96 -0.72 -4.94 118.68 117.79 1oco s LEU 116 Ca 0.37 2.33 -0.16 0.00 -0.22 0.00 0.00 54.13 56.45 1oco s LEU 116 Cb 0.39 -3.61 0.13 0.00 0.50 0.00 0.00 46.19 43.60 1oco s LEU 116 CO -0.05 -0.43 0.90 -0.94 -1.32 0.00 0.00 176.35 174.51 1oco s SER 117 N 0.13 -0.63 0.07 3.68 1.04 -1.26 -0.33 113.70 116.39 1oco s SER 117 Ca 0.54 0.99 -0.07 0.00 0.48 0.00 0.00 55.95 57.88 1oco s SER 117 Cb -0.34 1.33 -0.01 0.00 0.10 0.00 0.00 66.02 67.09 1oco s SER 117 CO 0.38 -0.15 0.15 0.72 0.98 0.00 0.00 173.24 175.32 1oco s PHE 118 N 1.56 0.19 0.77 5.02 -0.12 -0.82 -4.98 117.98 119.59 1oco s PHE 118 Ca -0.09 -0.57 -0.11 0.00 -0.05 0.00 0.00 56.93 56.12 1oco s PHE 118 Cb -0.04 -0.11 0.07 0.00 -0.63 0.00 0.00 43.02 42.30 1oco s PHE 118 CO -0.16 -0.47 1.13 -0.51 -0.05 0.00 0.00 175.22 175.15 1oco s ASP 119 N -2.59 4.71 -0.21 1.98 1.11 -1.26 -1.18 116.67 119.22 1oco s ASP 119 Ca 0.02 0.75 -0.05 0.00 0.18 0.00 0.00 52.55 53.45 1oco s ASP 119 Cb 0.03 -1.32 0.10 0.00 1.07 0.00 0.00 42.92 42.80 1oco s ASP 119 CO -0.08 -1.76 0.37 -0.55 1.18 0.00 0.00 175.17 174.33 1oco s SER 120 N -4.53 0.09 0.13 0.27 0.15 0.92 -4.67 113.70 106.06 1oco s SER 120 Ca 0.61 0.59 0.08 0.00 0.70 0.00 0.00 55.95 57.92 1oco s SER 120 Cb -0.11 1.13 -0.04 0.00 -1.71 0.00 0.00 66.02 65.29 1oco s SER 120 CO 0.48 -0.26 -0.17 -0.31 1.20 0.00 0.00 173.24 174.17 1oco s TYR 121 N 2.55 1.66 0.35 3.44 1.51 -1.26 -2.77 117.35 122.83 1oco s TYR 121 Ca 0.05 -0.48 -0.27 0.00 -1.01 0.00 0.00 57.07 55.36 1oco s TYR 121 Cb -0.14 -0.86 -0.09 0.00 -0.11 0.00 0.00 41.96 40.76 1oco s TYR 121 CO -0.13 0.23 1.16 1.41 -1.11 0.00 0.00 175.55 177.11 1oco s MET 122 N -2.48 4.31 -0.29 -0.62 -2.45 -1.26 -0.35 119.30 116.16 1oco s MET 122 Ca 0.11 1.86 -0.26 0.00 -1.25 0.00 0.00 55.69 56.14 1oco s MET 122 Cb -0.07 -2.90 0.01 0.00 1.25 0.00 0.00 34.83 33.12 1oco s MET 122 CO 0.05 -0.10 0.92 0.42 1.05 0.00 0.00 175.02 177.36 1oco s ILE 123 N -1.31 4.69 -0.06 10.11 1.01 0.82 -4.82 121.20 131.64 1oco s ILE 123 Ca 0.52 1.55 -0.37 0.00 0.00 0.00 0.00 60.65 62.35 1oco s ILE 123 Cb -0.32 -4.25 -0.15 0.00 0.01 0.00 0.00 42.46 37.75 1oco s ILE 123 CO 0.41 -0.28 1.62 -2.65 0.00 0.00 0.00 174.94 174.03 1oco n PRO 124 N 6.40 1.50 0.21 2.79 -0.02 -1.26 -4.76 135.00 139.87 1oco n PRO 124 Ca 0.08 0.55 0.16 0.00 -2.02 0.00 0.00 63.50 62.26 1oco n PRO 124 Cb 0.47 -2.26 0.65 0.00 -0.02 0.00 0.00 33.50 32.34 1oco n PRO 124 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1oco h THR 125 N 4.41 0.11 -0.32 3.45 1.35 -1.94 0.49 112.91 120.47 1oco h THR 125 Ca -0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.38 1oco h THR 125 Cb 1.31 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 1oco h THR 125 CO 0.89 0.00 0.17 0.77 -0.25 0.00 0.00 175.52 177.10 1oco h SER 126 N 0.00 0.40 -0.65 5.36 4.64 -1.95 -3.06 113.55 118.29 1oco h SER 126 Ca 0.10 -0.09 -0.28 0.00 -0.47 0.00 0.00 61.79 61.05 1oco h SER 126 Cb 1.18 -0.10 -0.17 0.00 -0.31 0.00 0.00 62.40 63.00 1oco h SER 126 CO -0.00 0.38 0.36 -1.84 -0.87 0.00 0.00 176.83 174.85 1oco n GLU 127 N -4.79 2.41 -2.89 4.77 0.28 0.17 -4.95 120.64 115.64 1oco n GLU 127 Ca -0.01 -2.21 -0.35 0.00 -0.16 0.00 0.00 57.16 54.43 1oco n GLU 127 Cb 0.08 -1.91 -0.07 0.00 1.43 0.00 0.00 31.44 30.98 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 -2.29 4.18 0.03 -1.84 1.43 -1.16 -4.88 118.68 114.15 1oco s LEU 128 Ca 0.41 1.66 -0.15 0.00 -1.03 0.00 0.00 54.13 55.02 1oco s LEU 128 Cb 0.34 -4.12 -0.06 0.00 0.03 0.00 0.00 46.19 42.38 1oco s LEU 128 CO 0.09 -0.16 0.43 -0.54 0.23 0.00 0.00 176.35 176.40 1oco s LYS 129 N -2.51 3.94 0.01 1.70 1.02 -1.26 -4.96 119.74 117.67 1oco s LYS 129 Ca 0.53 0.43 -0.36 0.00 0.02 0.00 0.00 55.97 56.59 1oco s LYS 129 Cb -0.14 -3.18 -0.18 0.00 -0.52 0.00 0.00 37.83 33.80 1oco s LYS 129 CO 0.19 0.66 0.97 -2.30 -0.92 0.00 0.00 175.35 173.95 1oco n PRO 130 N 1.65 0.00 0.00 -1.68 -0.02 -1.26 -1.21 135.00 132.48 1oco n PRO 130 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1oco n PRO 130 Cb 0.52 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 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 1.39 0.99 3.77 -1.23 0.00 -1.26 -5.06 105.19 103.78 1oco n GLY 131 Ca 0.18 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 -0.92 4.65 -0.18 1.61 2.02 -0.35 -5.00 118.70 120.53 1oco s GLU 132 Ca 0.00 1.25 -0.29 0.00 0.02 0.00 0.00 54.97 55.95 1oco s GLU 132 Cb 0.00 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 1oco s GLU 132 CO 0.00 0.56 1.56 -0.51 0.02 0.00 0.00 175.26 176.89 1oco s LEU 133 N -1.16 4.02 0.18 1.80 1.43 -1.26 -4.90 118.68 118.79 1oco s LEU 133 Ca 0.37 1.74 -0.14 0.00 -1.03 0.00 0.00 54.13 55.07 1oco s LEU 133 Cb -0.24 -3.53 0.19 0.00 0.03 0.00 0.00 46.19 42.64 1oco s LEU 133 CO 0.28 -1.11 1.24 -1.14 0.23 0.00 0.00 176.35 175.85 1oco n ARG 134 N 7.39 -0.19 -0.15 1.70 0.63 -1.26 -1.72 116.66 123.05 1oco n ARG 134 Ca 0.18 1.23 0.06 0.00 -0.92 0.00 0.00 57.85 58.40 1oco n ARG 134 Cb 0.45 -1.83 0.13 0.00 0.45 0.00 0.00 32.46 31.66 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 -5.18 2.70 -0.02 6.15 4.77 -1.26 -4.43 117.00 119.73 1oco n LEU 135 Ca 0.08 -2.57 0.03 0.00 -0.03 0.00 0.00 56.01 53.52 1oco n LEU 135 Cb 0.32 -0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 1oco n LEU 135 CO -0.11 0.65 -0.74 0.18 -1.33 0.00 0.00 177.39 176.04 1oco n LEU 136 N -0.61 0.00 -4.73 2.23 4.77 -0.70 -4.65 117.00 113.30 1oco n LEU 136 Ca 0.12 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.69 1oco n LEU 136 Cb 0.55 0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 1oco n LEU 136 CO 0.05 0.09 0.72 -1.61 -1.33 0.00 0.00 177.39 175.32 1oco s GLU 137 N -2.77 4.64 0.16 3.23 0.41 -1.03 -4.69 118.70 118.65 1oco s GLU 137 Ca -0.05 1.56 0.07 0.00 -0.41 0.00 0.00 54.97 56.14 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 0.56 0.13 -0.04 0.54 -0.49 0.00 0.00 175.26 175.96 1oco s VAL 138 N 0.02 3.55 0.03 2.63 0.11 -1.26 -0.13 120.40 125.35 1oco s VAL 138 Ca 0.49 -1.42 -0.22 0.00 -2.93 0.00 0.00 61.98 57.89 1oco s VAL 138 Cb -0.26 -2.75 -0.16 0.00 -1.53 0.00 0.00 36.38 31.69 1oco s VAL 138 CO 0.31 -0.05 1.35 -2.24 -3.33 0.00 0.00 175.10 171.14 1oco h ASP 139 N 2.97 0.25 -3.64 3.54 3.04 -1.01 -3.41 116.42 118.16 1oco h ASP 139 Ca -0.47 -0.45 -0.68 0.00 -3.24 0.00 0.00 57.03 52.18 1oco h ASP 139 Cb 1.19 -0.07 -0.35 0.00 -1.04 0.00 0.00 39.33 39.06 1oco h ASP 139 CO 0.56 0.65 -0.64 0.20 -2.04 0.00 0.00 179.24 177.97 1oco s ASN 140 N -5.94 5.01 0.86 4.15 0.01 -1.26 -5.02 114.94 112.74 1oco s ASN 140 Ca -0.15 -1.76 -0.11 0.00 -0.71 0.00 0.00 52.86 50.13 1oco s ASN 140 Cb 0.04 -1.74 0.11 0.00 0.41 0.00 0.00 41.25 40.07 1oco s ASN 140 CO 0.72 -0.40 1.09 -0.13 -1.51 0.00 0.00 177.10 176.88 1oco s ARG 141 N 1.14 1.52 -0.49 -0.60 0.52 -1.26 -4.74 118.95 115.04 1oco s ARG 141 Ca 0.03 0.98 -0.14 0.00 -0.52 0.00 0.00 55.73 56.08 1oco s ARG 141 Cb -0.21 -1.83 0.10 0.00 0.52 0.00 0.00 34.95 33.53 1oco s ARG 141 CO -0.04 -2.11 0.41 0.54 0.02 0.00 0.00 175.30 174.13 1oco s VAL 142 N -2.89 5.04 0.18 3.52 0.11 -0.60 -4.93 120.40 120.82 1oco s VAL 142 Ca 0.63 -1.29 -0.30 0.00 -2.93 0.00 0.00 61.98 58.09 1oco s VAL 142 Cb -0.18 -4.11 -0.07 0.00 -1.53 0.00 0.00 36.38 30.49 1oco s VAL 142 CO 0.57 -0.68 1.00 -0.69 -3.33 0.00 0.00 175.10 171.97 1oco s VAL 143 N 1.58 4.15 0.05 2.04 1.01 -1.26 -1.48 120.40 126.49 1oco s VAL 143 Ca 0.04 1.93 -0.13 0.00 0.00 0.00 0.00 61.98 63.82 1oco s VAL 143 Cb -0.26 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 31.91 1oco s VAL 143 CO 0.04 0.36 0.28 -0.76 0.00 0.00 0.00 175.10 175.03 1oco s LEU 144 N -0.54 0.97 -0.28 3.92 1.43 -0.53 -4.94 118.68 118.71 1oco s LEU 144 Ca 0.46 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.00 1oco s LEU 144 Cb -0.26 1.29 0.01 0.00 0.03 0.00 0.00 46.19 47.26 1oco s LEU 144 CO 0.32 -0.63 1.14 -2.16 0.23 0.00 0.00 176.35 175.25 1oco s PRO 145 N -2.73 4.10 1.13 1.29 0.04 -1.25 -1.90 135.00 135.66 1oco s PRO 145 Ca -0.04 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 1oco s PRO 145 Cb -0.00 -3.75 0.25 0.00 0.04 0.00 0.00 34.50 31.04 1oco s PRO 145 CO -0.05 -0.87 0.99 0.00 0.04 0.00 0.00 177.00 177.12 1oco n MET 146 N 6.82 -2.04 -1.82 4.56 0.00 -0.03 -3.44 117.12 121.16 1oco n MET 146 Ca 0.13 -0.56 -0.13 0.00 0.00 0.00 0.00 57.70 57.14 1oco n MET 146 Cb 0.46 -2.18 -0.04 0.00 0.00 0.00 0.00 33.22 31.47 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 -4.67 -1.66 -4.66 3.17 4.07 -0.48 -4.78 120.64 111.63 1oco n GLU 147 Ca 0.05 0.71 -0.23 0.00 -0.06 0.00 0.00 57.16 57.63 1oco n GLU 147 Cb 0.54 -5.10 -0.15 0.00 -0.06 0.00 0.00 31.44 26.67 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 -3.90 1.20 -0.60 5.31 -1.94 -1.22 -4.99 119.30 113.16 1oco s MET 148 Ca 0.00 -0.59 -0.28 0.00 -1.71 0.00 0.00 55.69 53.11 1oco s MET 148 Cb 0.00 -1.18 0.02 0.00 2.01 0.00 0.00 34.83 35.69 1oco s MET 148 CO 0.00 0.32 1.33 0.99 -0.01 0.00 0.00 175.02 177.65 1oco s THR 149 N -0.44 3.84 0.13 2.05 2.01 -1.26 -4.33 115.64 117.64 1oco s THR 149 Ca 0.05 0.69 0.01 0.00 0.31 0.00 0.00 61.69 62.75 1oco s THR 149 Cb -0.06 -4.60 -0.04 0.00 0.01 0.00 0.00 72.50 67.81 1oco s THR 149 CO -0.00 -1.34 0.29 -0.63 -0.69 0.00 0.00 174.62 172.25 1oco s ILE 150 N 5.72 5.31 -0.24 1.82 1.01 -0.07 -1.90 121.20 132.86 1oco s ILE 150 Ca 0.47 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1oco s ILE 150 Cb -0.09 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.71 1oco s ILE 150 CO 0.23 -0.03 -0.10 -0.60 0.00 0.00 0.00 174.94 174.43 1oco s ARG 151 N -3.01 2.66 0.08 2.79 3.52 -0.91 -1.23 118.95 122.85 1oco s ARG 151 Ca 0.36 -1.08 -0.09 0.00 -0.13 0.00 0.00 55.73 54.79 1oco s ARG 151 Cb -0.12 -2.87 -0.06 0.00 -1.56 0.00 0.00 34.95 30.35 1oco s ARG 151 CO 0.28 -0.42 0.39 -1.64 -0.81 0.00 0.00 175.30 173.10 1oco s MET 152 N 1.24 3.73 -0.23 5.12 -1.94 0.91 -2.16 119.30 125.97 1oco s MET 152 Ca -0.02 0.14 -0.01 0.00 -1.71 0.00 0.00 55.69 54.09 1oco s MET 152 Cb -0.17 -2.99 0.07 0.00 2.01 0.00 0.00 34.83 33.75 1oco s MET 152 CO -0.06 0.56 0.01 -0.51 -0.01 0.00 0.00 175.02 175.01 1oco s LEU 153 N -1.95 1.98 -0.05 -0.03 1.43 -1.02 -1.48 118.68 117.56 1oco s LEU 153 Ca 0.33 -1.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.13 1oco s LEU 153 Cb -0.14 -0.89 -0.05 0.00 0.03 0.00 0.00 46.19 45.14 1oco s LEU 153 CO 0.18 -0.30 0.45 -0.69 0.23 0.00 0.00 176.35 176.23 1oco s VAL 154 N 1.62 5.07 0.15 -1.59 1.01 0.95 -1.94 120.40 125.66 1oco s VAL 154 Ca -0.01 0.93 -0.02 0.00 0.00 0.00 0.00 61.98 62.88 1oco s VAL 154 Cb -0.18 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1oco s VAL 154 CO -0.10 0.46 0.23 -0.24 0.00 0.00 0.00 175.10 175.44 1oco n SER 155 N 2.68 -0.64 -3.81 3.32 2.88 -1.02 -1.35 113.62 115.67 1oco n SER 155 Ca -0.10 -1.76 -0.10 0.00 -1.33 0.00 0.00 58.87 55.57 1oco n SER 155 Cb 0.52 1.15 -0.08 0.00 -0.75 0.00 0.00 64.21 65.05 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 -1.89 -0.00 -0.04 -3.46 0.15 -1.26 -1.09 113.70 106.11 1oco s SER 156 Ca 0.11 -0.38 0.13 0.00 0.70 0.00 0.00 55.95 56.51 1oco s SER 156 Cb -0.01 0.33 0.40 0.00 -1.71 0.00 0.00 66.02 65.03 1oco s SER 156 CO 0.08 -0.62 1.33 -0.62 1.20 0.00 0.00 173.24 174.61 1oco n GLU 157 N 0.46 2.94 0.00 5.44 1.02 -0.11 -4.14 120.64 126.26 1oco n GLU 157 Ca -0.18 -2.30 0.00 0.00 -0.02 0.00 0.00 57.16 54.66 1oco n GLU 157 Cb 0.60 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 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 0.43 0.00 -1.64 1.62 5.75 -1.26 -5.03 116.55 116.42 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 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 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 -3.60 2.12 0.24 -1.26 -4.68 118.33 111.15 1oco n VAL 159 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 1oco n VAL 159 Cb 0.00 -1.41 -0.05 0.00 -1.47 0.00 0.00 33.84 30.91 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 4.30 0.00 1.34 1.43 -1.26 -4.48 118.68 120.01 1oco s LEU 160 Ca 0.00 0.72 0.06 0.00 -1.03 0.00 0.00 54.13 53.88 1oco s LEU 160 Cb 0.00 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 1oco s LEU 160 CO 0.00 0.11 0.30 1.41 0.23 0.00 0.00 176.35 178.40 1oco n HIS 161 N 0.53 -0.86 -3.67 0.29 8.25 -0.75 -4.45 115.22 114.56 1oco n HIS 161 Ca -0.05 -2.64 -0.12 0.00 -0.26 0.00 0.00 57.72 54.64 1oco n HIS 161 Cb 0.52 0.32 -0.12 0.00 1.12 0.00 0.00 29.99 31.83 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 -3.22 0.10 -0.34 0.41 0.15 -1.26 0.31 113.70 109.84 1oco s SER 162 Ca 0.37 0.71 -0.25 0.00 0.70 0.00 0.00 55.95 57.48 1oco s SER 162 Cb 0.01 0.86 0.01 0.00 -1.71 0.00 0.00 66.02 65.19 1oco s SER 162 CO 0.26 -0.23 0.86 0.86 1.20 0.00 0.00 173.24 176.19 1oco s TRP 163 N 2.34 3.14 0.09 3.44 -0.00 -0.32 -1.59 118.94 126.03 1oco s TRP 163 Ca -0.01 0.78 0.05 0.00 -0.00 0.00 0.00 56.10 56.91 1oco s TRP 163 Cb -0.12 -3.44 -0.03 0.00 -0.00 0.00 0.00 33.47 29.88 1oco s TRP 163 CO -0.10 -0.71 -0.12 0.00 -0.00 0.00 0.00 176.95 176.02 1oco s ALA 164 N 3.22 1.17 -0.49 5.86 0.00 -1.25 -1.60 121.76 128.67 1oco s ALA 164 Ca 0.35 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 51.28 1oco s ALA 164 Cb -0.13 -0.04 0.19 0.00 0.00 0.00 0.00 23.12 23.14 1oco s ALA 164 CO 0.16 0.07 0.68 0.08 0.00 0.00 0.00 175.76 176.74 1oco s VAL 165 N -1.84 -0.89 0.11 0.00 1.01 -0.67 -3.40 120.40 114.72 1oco s VAL 165 Ca 0.02 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.86 1oco s VAL 165 Cb -0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.17 1oco s VAL 165 CO 0.02 -0.10 1.19 -2.65 0.00 0.00 0.00 175.10 173.55 1oco n PRO 166 N 3.25 -0.31 -0.33 2.72 -0.02 -1.26 -0.87 135.00 138.18 1oco n PRO 166 Ca 0.17 1.17 0.26 0.00 -2.02 0.00 0.00 63.50 63.07 1oco n PRO 166 Cb 0.55 -1.72 0.50 0.00 -0.02 0.00 0.00 33.50 32.82 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 0.48 1.34 2.55 0.02 -1.84 0.86 113.55 116.95 1oco h SER 167 Ca 0.11 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1oco h SER 167 Cb 0.28 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1oco h SER 167 CO -0.65 -0.20 -0.67 -0.07 -1.14 0.00 0.00 176.83 174.10 1oco h LEU 168 N 0.26 0.00 -0.77 5.07 3.38 -1.33 -1.34 115.31 120.57 1oco h LEU 168 Ca 0.76 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.73 1oco h LEU 168 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1oco h LEU 168 CO -0.64 0.06 0.00 0.61 0.09 0.00 0.00 178.44 178.56 1oco n GLY 169 N 1.17 0.94 3.30 0.83 0.00 0.30 -4.08 105.19 107.64 1oco n GLY 169 Ca 0.01 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.77 2.24 -0.30 0.99 1.43 -1.22 -4.86 118.68 116.19 1oco s LEU 170 Ca 0.00 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.33 1oco s LEU 170 Cb 0.00 -1.03 0.15 0.00 0.03 0.00 0.00 46.19 45.34 1oco s LEU 170 CO 0.00 0.14 0.90 -0.75 0.23 0.00 0.00 176.35 176.87 1oco s LYS 171 N -1.58 0.40 -0.18 1.70 2.47 -1.25 -1.67 119.74 119.63 1oco s LYS 171 Ca 0.09 0.90 -0.05 0.00 -1.56 0.00 0.00 55.97 55.35 1oco s LYS 171 Cb -0.10 0.43 0.09 0.00 -1.46 0.00 0.00 37.83 36.80 1oco s LYS 171 CO 0.03 -0.12 0.33 0.99 0.16 0.00 0.00 175.35 176.74 1oco s THR 172 N 2.25 -0.52 0.83 3.43 2.01 -0.63 -4.99 115.64 118.03 1oco s THR 172 Ca -0.05 0.14 -0.13 0.00 0.31 0.00 0.00 61.69 61.96 1oco s THR 172 Cb -0.07 -0.60 0.08 0.00 0.01 0.00 0.00 72.50 71.92 1oco s THR 172 CO -0.17 0.03 1.13 0.47 -0.69 0.00 0.00 174.62 175.38 1oco n ASP 173 N 5.36 0.68 -4.23 3.53 9.92 -1.26 -1.17 116.55 129.38 1oco n ASP 173 Ca -0.06 0.55 -0.37 0.00 -0.53 0.00 0.00 54.79 54.38 1oco n ASP 173 Cb 0.50 -1.48 -0.13 0.00 -0.64 0.00 0.00 41.12 39.37 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 -2.19 2.94 -0.15 2.24 0.00 0.15 -4.74 121.76 120.01 1oco s ALA 174 Ca 0.71 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.95 1oco s ALA 174 Cb -0.28 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 20.73 1oco s ALA 174 CO 0.53 -1.30 -0.21 0.42 0.00 0.00 0.00 175.76 175.20 1oco s ILE 175 N 1.34 2.08 0.20 0.00 1.01 -1.26 -1.82 121.20 122.76 1oco s ILE 175 Ca -0.03 -0.96 -0.32 0.00 0.00 0.00 0.00 60.65 59.34 1oco s ILE 175 Cb -0.20 -1.84 -0.15 0.00 0.01 0.00 0.00 42.46 40.29 1oco s ILE 175 CO 0.01 0.55 1.29 -0.81 0.00 0.00 0.00 174.94 175.98 1oco n PRO 176 N 4.24 1.61 -1.00 2.79 -0.04 -1.26 -1.64 135.00 139.69 1oco n PRO 176 Ca -0.20 0.57 -0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1oco n PRO 176 Cb 0.51 -2.16 -0.00 0.00 -0.04 0.00 0.00 33.50 31.81 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 2.13 0.46 3.17 0.55 0.00 -1.26 -4.99 105.19 105.25 1oco n GLY 177 Ca 0.13 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.27 0.83 -0.31 1.61 3.52 -0.65 -5.12 118.95 118.55 1oco s ARG 178 Ca 0.00 -1.02 0.03 0.00 -0.13 0.00 0.00 55.73 54.61 1oco s ARG 178 Cb 0.00 -0.73 0.09 0.00 -1.56 0.00 0.00 34.95 32.75 1oco s ARG 178 CO 0.00 0.15 0.02 -0.51 -0.81 0.00 0.00 175.30 174.15 1oco s LEU 179 N -1.97 3.81 -0.04 -0.88 1.43 -1.26 -4.42 118.68 115.34 1oco s LEU 179 Ca 0.00 -1.81 -0.15 0.00 -1.03 0.00 0.00 54.13 51.14 1oco s LEU 179 Cb -0.08 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 1oco s LEU 179 CO 0.02 -0.34 0.40 0.20 0.23 0.00 0.00 176.35 176.86 1oco s ASN 180 N 1.13 6.73 0.16 2.29 0.01 -0.46 -4.91 114.94 119.88 1oco s ASN 180 Ca 0.05 0.87 0.03 0.00 -0.71 0.00 0.00 52.86 53.11 1oco s ASN 180 Cb -0.19 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.19 1oco s ASN 180 CO -0.10 0.23 0.23 -1.58 -1.51 0.00 0.00 177.10 174.37 1oco s GLN 181 N -0.55 3.24 -0.20 -0.60 0.74 -1.26 -0.04 119.66 121.00 1oco s GLN 181 Ca 0.23 -0.70 -0.27 0.00 0.05 0.00 0.00 55.36 54.68 1oco s GLN 181 Cb -0.16 -2.85 0.07 0.00 1.10 0.00 0.00 33.01 31.18 1oco s GLN 181 CO 0.11 0.51 0.72 -0.08 -0.55 0.00 0.00 175.29 176.00 1oco s THR 182 N -1.75 0.00 -0.23 -0.34 -1.32 -0.55 -4.95 115.64 106.51 1oco s THR 182 Ca 0.33 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.72 1oco s THR 182 Cb -0.11 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.84 1oco s THR 182 CO 0.27 0.00 0.13 -0.89 -2.21 0.00 0.00 174.62 171.92 1oco s THR 183 N -0.11 5.16 0.07 5.08 2.01 -1.26 -0.06 115.64 126.52 1oco s THR 183 Ca -0.03 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.11 1oco s THR 183 Cb -0.03 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1oco s THR 183 CO 0.03 0.37 0.04 -0.22 -0.69 0.00 0.00 174.62 174.16 1oco s LEU 184 N 0.93 3.65 -0.38 4.42 0.20 -0.36 -4.97 118.68 122.17 1oco s LEU 184 Ca 0.07 -0.06 -0.01 0.00 0.69 0.00 0.00 54.13 54.81 1oco s LEU 184 Cb -0.13 -2.30 0.19 0.00 -0.43 0.00 0.00 46.19 43.51 1oco s LEU 184 CO 0.03 0.19 0.87 -0.32 -0.29 0.00 0.00 176.35 176.84 1oco s MET 185 N -2.20 0.50 0.43 1.98 1.75 -1.26 -0.89 119.30 119.61 1oco s MET 185 Ca 0.26 -0.25 -0.15 0.00 -1.25 0.00 0.00 55.69 54.31 1oco s MET 185 Cb -0.12 0.04 -0.08 0.00 2.84 0.00 0.00 34.83 37.51 1oco s MET 185 CO 0.19 -0.70 0.86 0.45 -0.65 0.00 0.00 175.02 175.17 1oco s SER 186 N 1.71 6.65 -0.20 1.11 0.15 -1.26 -4.48 113.70 117.38 1oco s SER 186 Ca 0.18 1.38 0.12 0.00 0.70 0.00 0.00 55.95 58.33 1oco s SER 186 Cb 0.01 -2.42 0.43 0.00 -1.71 0.00 0.00 66.02 62.33 1oco s SER 186 CO -0.11 -0.43 1.21 -1.54 1.20 0.00 0.00 173.24 173.58 1oco n SER 187 N -1.15 1.99 -3.64 5.45 3.41 -1.04 -1.38 113.62 117.26 1oco n SER 187 Ca 0.05 -3.70 -0.08 0.00 -0.26 0.00 0.00 58.87 54.88 1oco n SER 187 Cb 0.54 -0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.99 0.51 0.48 4.33 3.52 -1.26 -4.89 118.95 118.64 1oco s ARG 188 Ca 0.39 0.65 -0.13 0.00 -0.13 0.00 0.00 55.73 56.51 1oco s ARG 188 Cb 0.38 0.23 -0.07 0.00 -1.56 0.00 0.00 34.95 33.92 1oco s ARG 188 CO -0.07 -0.07 0.89 -1.25 -0.81 0.00 0.00 175.30 174.00 1oco s PRO 189 N 0.44 3.83 0.00 5.12 0.04 -1.26 -4.86 135.00 138.32 1oco s PRO 189 Ca 0.01 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1oco s PRO 189 Cb -0.05 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1oco s PRO 189 CO -0.08 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1oco n GLY 190 N -1.60 -0.59 3.44 0.56 0.00 -0.90 -4.94 105.19 101.15 1oco n GLY 190 Ca 0.05 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 2.97 -0.15 0.99 1.43 -1.26 -0.92 118.68 121.73 1oco s LEU 191 Ca 0.00 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1oco s LEU 191 Cb 0.00 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.56 1oco s LEU 191 CO 0.00 0.18 -0.11 -0.31 0.23 0.00 0.00 176.35 176.33 1oco s TYR 192 N 0.30 2.05 0.18 0.29 2.02 0.29 -4.67 117.35 117.81 1oco s TYR 192 Ca -0.07 -1.19 0.00 0.00 -0.37 0.00 0.00 57.07 55.45 1oco s TYR 192 Cb -0.15 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1oco s TYR 192 CO 0.04 -0.65 0.35 0.71 -1.57 0.00 0.00 175.55 174.43 1oco s TYR 193 N 1.52 3.49 0.26 2.71 1.51 -1.26 -0.87 117.35 124.71 1oco s TYR 193 Ca 0.03 0.26 -0.16 0.00 -1.01 0.00 0.00 57.07 56.20 1oco s TYR 193 Cb -0.14 -1.79 0.01 0.00 -0.11 0.00 0.00 41.96 39.93 1oco s TYR 193 CO -0.10 0.43 0.56 0.20 -1.11 0.00 0.00 175.55 175.54 1oco s GLY 194 N -3.16 0.29 0.05 0.71 0.00 0.71 -4.32 107.32 101.61 1oco s GLY 194 Ca 0.37 -0.65 -0.02 0.00 0.00 0.00 0.00 44.72 44.41 1oco s GLY 194 CO 0.29 -0.43 0.01 1.20 0.00 0.00 0.00 173.10 174.17 1oco s GLN 195 N -3.98 0.63 0.00 2.90 -0.21 -1.22 -0.05 119.66 117.74 1oco s GLN 195 Ca 0.18 -1.14 -0.30 0.00 0.02 0.00 0.00 55.36 54.12 1oco s GLN 195 Cb -0.03 0.23 -0.08 0.00 1.00 0.00 0.00 33.01 34.13 1oco s GLN 195 CO 0.08 -0.13 1.91 0.00 -2.12 0.00 0.00 175.29 175.03 1oco n SER 197 N 7.68 6.38 -3.44 0.00 7.64 -0.62 -4.87 113.62 126.39 1oco n SER 197 Ca 0.20 -3.76 0.01 0.00 1.01 0.00 0.00 58.87 56.33 1oco n SER 197 Cb 0.42 -0.87 -0.04 0.00 -1.01 0.00 0.00 64.21 62.71 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 -3.92 0.33 0.08 1.43 2.56 -1.26 -4.46 118.70 113.46 1oco s GLU 198 Ca 0.48 0.81 -0.34 0.00 0.00 0.00 0.00 54.97 55.92 1oco s GLU 198 Cb 0.36 0.47 -0.14 0.00 2.00 0.00 0.00 34.13 36.82 1oco s GLU 198 CO -0.27 -0.11 1.64 1.51 -0.56 0.00 0.00 175.26 177.48 1oco n ILE 199 N 4.96 0.16 -1.83 -3.70 3.06 -1.26 -4.63 119.36 116.11 1oco n ILE 199 Ca -0.10 -0.03 0.02 0.00 -2.50 0.00 0.00 62.75 60.14 1oco n ILE 199 Cb 0.52 -1.57 0.02 0.00 0.54 0.00 0.00 39.64 39.15 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 -0.24 0.30 0.00 0.00 -1.26 -4.81 105.19 98.95 1oco n GLY 201 Ca 0.03 -2.23 0.06 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.55 -0.98 1.61 0.02 -2.02 -2.21 113.55 109.43 1oco h SER 202 Ca 0.00 0.23 -0.64 0.00 -0.84 0.00 0.00 61.79 60.54 1oco h SER 202 Cb 0.00 0.44 -0.34 0.00 0.14 0.00 0.00 62.40 62.64 1oco h SER 202 CO 0.00 -0.25 0.29 0.59 -1.14 0.00 0.00 176.83 176.32 1oco n ASN 203 N -5.45 6.73 0.01 3.07 4.13 -1.26 -4.51 115.26 117.97 1oco n ASN 203 Ca 0.15 -3.78 0.11 0.00 1.68 0.00 0.00 54.58 52.74 1oco n ASN 203 Cb 0.50 -0.76 0.54 0.00 -1.54 0.00 0.00 39.78 38.52 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 2.12 0.30 -0.00 3.10 -0.00 -1.71 0.11 115.15 119.07 1oco h HIS 204 Ca 0.52 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.90 1oco h HIS 204 Cb 1.02 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.33 1oco h HIS 204 CO 1.22 0.16 -0.01 0.43 -0.00 0.00 0.00 177.93 179.72 1oco n SER 205 N -4.47 0.03 -2.79 3.26 7.64 -1.26 -4.29 113.62 111.73 1oco n SER 205 Ca 0.06 -0.02 -0.23 0.00 1.01 0.00 0.00 58.87 59.69 1oco n SER 205 Cb 0.30 -0.32 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.32 2.77 -2.86 1.43 3.72 0.39 -4.84 117.46 116.76 1oco n PHE 206 Ca 0.12 -3.51 -0.12 0.00 -0.05 0.00 0.00 57.45 53.90 1oco n PHE 206 Cb 0.27 -0.33 0.02 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 -0.21 0.77 -1.21 -1.08 0.00 -1.26 -4.62 117.12 109.52 1oco n MET 207 Ca 0.29 -2.10 -0.30 0.00 0.00 0.00 0.00 57.70 55.59 1oco n MET 207 Cb 0.59 -1.40 0.24 0.00 0.00 0.00 0.00 33.22 32.64 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 0.22 -1.03 -0.06 3.17 0.04 -1.26 -3.75 135.00 132.33 1oco s PRO 208 Ca 0.32 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.21 1oco s PRO 208 Cb 0.22 -1.63 0.02 0.00 0.04 0.00 0.00 34.50 33.16 1oco s PRO 208 CO -0.21 -3.57 -0.04 0.42 0.04 0.00 0.00 177.00 173.65 1oco s ILE 209 N -3.15 0.57 -0.11 0.56 1.01 0.93 -4.83 121.20 116.17 1oco s ILE 209 Ca 0.72 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 61.30 1oco s ILE 209 Cb -0.08 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.77 1oco s ILE 209 CO 0.55 0.26 -0.15 -0.69 0.00 0.00 0.00 174.94 174.91 1oco s VAL 210 N 1.32 1.52 -0.20 2.92 1.01 -1.26 -0.21 120.40 125.50 1oco s VAL 210 Ca -0.04 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1oco s VAL 210 Cb -0.14 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1oco s VAL 210 CO -0.02 0.45 0.06 -0.76 0.00 0.00 0.00 175.10 174.83 1oco s LEU 211 N 1.00 3.69 -0.28 3.92 1.02 -0.05 -1.56 118.68 126.42 1oco s LEU 211 Ca -0.06 -0.01 -0.02 0.00 0.02 0.00 0.00 54.13 54.06 1oco s LEU 211 Cb -0.15 -1.95 0.04 0.00 0.02 0.00 0.00 46.19 44.16 1oco s LEU 211 CO -0.02 0.11 -0.02 -0.70 0.02 0.00 0.00 176.35 175.74 1oco s GLU 212 N 0.75 2.54 -0.29 1.70 2.12 -0.55 -0.54 118.70 124.43 1oco s GLU 212 Ca 0.03 -1.19 -0.09 0.00 0.36 0.00 0.00 54.97 54.09 1oco s GLU 212 Cb -0.13 -3.12 -0.02 0.00 0.26 0.00 0.00 34.13 31.12 1oco s GLU 212 CO 0.02 -0.56 0.12 -0.51 -0.54 0.00 0.00 175.26 173.80 1oco s LEU 213 N 1.27 3.86 0.23 2.70 1.02 -0.10 -1.45 118.68 126.21 1oco s LEU 213 Ca -0.04 -0.38 0.04 0.00 0.02 0.00 0.00 54.13 53.77 1oco s LEU 213 Cb -0.19 -1.98 -0.05 0.00 0.02 0.00 0.00 46.19 43.99 1oco s LEU 213 CO -0.02 -0.13 -0.00 0.68 0.02 0.00 0.00 176.35 176.90 1oco s VAL 214 N 1.62 1.03 0.53 -1.59 -7.23 -0.80 -2.12 120.40 111.85 1oco s VAL 214 Ca 0.05 -2.03 -0.21 0.00 -1.81 0.00 0.00 61.98 57.98 1oco s VAL 214 Cb -0.16 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 1oco s VAL 214 CO 0.06 -0.33 1.27 -2.84 -0.31 0.00 0.00 175.10 172.95 1oco s PRO 215 N -3.86 3.26 0.10 4.82 0.02 -1.26 -0.86 135.00 137.21 1oco s PRO 215 Ca 0.28 2.02 -0.18 0.00 0.02 0.00 0.00 61.00 63.14 1oco s PRO 215 Cb 0.06 -2.22 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 1oco s PRO 215 CO 0.09 -1.03 0.97 -0.11 -0.33 0.00 0.00 177.00 176.58 1oco n LEU 216 N -1.02 -0.63 -0.34 -5.54 0.00 -1.26 -0.47 117.00 107.75 1oco n LEU 216 Ca 0.10 1.11 0.01 0.00 0.00 0.00 0.00 56.01 57.24 1oco n LEU 216 Cb 0.47 -0.16 0.08 0.00 0.00 0.00 0.00 43.42 43.80 1oco n LEU 216 CO 0.50 -0.89 0.63 0.50 0.00 0.00 0.00 177.39 178.13 1oco h LYS 217 N 0.00 -0.02 0.00 1.96 3.64 -2.00 0.82 116.57 120.98 1oco h LYS 217 Ca 0.10 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1oco h LYS 217 Cb 0.24 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1oco h LYS 217 CO -0.56 -0.01 -0.39 1.88 -2.27 0.00 0.00 179.45 178.10 1oco h TYR 218 N -0.02 0.00 0.12 1.91 -1.99 -1.12 -2.60 116.97 113.26 1oco h TYR 218 Ca 0.38 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.11 1oco h TYR 218 Cb 0.63 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.36 1oco h TYR 218 CO -0.77 0.39 -0.06 0.35 -0.00 0.00 0.00 178.16 178.07 1oco h PHE 219 N 0.00 -0.15 -0.27 4.88 3.57 0.15 -1.23 116.94 123.90 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 0.85 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.59 1oco h PHE 219 CO 0.00 0.10 -0.05 0.93 -2.23 0.00 0.00 178.31 177.06 1oco h GLU 220 N -0.38 0.02 -0.60 1.11 5.08 -0.42 0.19 114.58 119.58 1oco h GLU 220 Ca -0.02 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1oco h GLU 220 Cb 0.31 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1oco h GLU 220 CO 0.03 0.01 0.22 0.87 -1.00 0.00 0.00 179.01 179.14 1oco h LYS 221 N 0.02 0.91 0.34 2.33 1.57 -1.46 -2.25 116.57 118.03 1oco h LYS 221 Ca 0.13 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1oco h LYS 221 Cb 0.19 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1oco h LYS 221 CO -0.26 0.79 -0.21 2.35 -0.57 0.00 0.00 179.45 181.55 1oco h TRP 222 N 0.84 -0.55 -0.67 -1.35 7.01 -0.72 -0.74 115.95 119.77 1oco h TRP 222 Ca 0.20 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.32 1oco h TRP 222 Cb 0.24 0.20 -0.13 0.00 -2.10 0.00 0.00 29.16 27.37 1oco h TRP 222 CO 0.01 -0.33 -0.25 1.03 -2.79 0.00 0.00 178.44 176.12 1oco h SER 223 N -0.53 -0.88 -0.23 2.65 0.87 -0.42 0.14 113.55 115.15 1oco h SER 223 Ca -0.04 0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1oco h SER 223 Cb 0.44 0.50 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 1oco h SER 223 CO 0.04 -0.27 0.04 0.00 -0.53 0.00 0.00 176.83 176.11 1oco h ALA 224 N 1.42 0.31 0.00 6.23 0.00 -1.16 -1.86 119.26 124.19 1oco h ALA 224 Ca 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1oco h ALA 224 Cb 0.54 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1oco h ALA 224 CO -0.72 -0.02 -0.02 0.66 0.00 0.00 0.00 179.25 179.15 1oco h SER 225 N 0.20 0.00 1.07 0.00 4.64 -0.61 0.89 113.55 119.74 1oco h SER 225 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1oco h SER 225 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1oco h SER 225 CO 0.00 0.02 0.00 0.80 -0.87 0.00 0.00 176.83 176.79 1oco n MET 226 N -3.75 0.05 0.00 4.77 1.56 0.45 -5.08 117.12 115.11 1oco n MET 226 Ca -0.03 0.05 0.00 0.00 -0.27 0.00 0.00 57.70 57.45 1oco n MET 226 Cb 0.11 -1.56 0.00 0.00 2.15 0.00 0.00 33.22 33.92 1oco n MET 226 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52