#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otj n GLU 3 N 0.00 0.00 -3.68 4.33 0.00 -1.26 -4.89 120.64 115.14 1otj n GLU 3 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.04 1otj n GLU 3 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.32 1otj n GLU 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1otj s ARG 4 N 0.86 0.22 0.58 3.44 3.52 -1.26 -4.93 118.95 121.37 1otj s ARG 4 Ca 0.00 0.76 -0.19 0.00 -0.13 0.00 0.00 55.73 56.17 1otj s ARG 4 Cb 0.00 0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.36 1otj s ARG 4 CO 0.00 -0.24 1.15 -0.51 -0.81 0.00 0.00 175.30 174.89 1otj s LEU 5 N 2.08 3.67 -0.50 -0.88 1.43 -1.26 -4.94 118.68 118.28 1otj s LEU 5 Ca -0.03 2.22 -0.20 0.00 -1.03 0.00 0.00 54.13 55.08 1otj s LEU 5 Cb -0.11 -4.58 0.05 0.00 0.03 0.00 0.00 46.19 41.57 1otj s LEU 5 CO -0.10 -1.40 0.69 -0.55 0.23 0.00 0.00 176.35 175.23 1otj s SER 6 N -1.83 6.27 -0.37 2.29 0.15 0.13 -4.92 113.70 115.42 1otj s SER 6 Ca 0.73 -0.69 -0.12 0.00 0.70 0.00 0.00 55.95 56.58 1otj s SER 6 Cb -0.25 -2.33 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 1otj s SER 6 CO 0.31 -0.94 0.22 -0.63 1.20 0.00 0.00 173.24 173.39 1otj s ILE 7 N 2.94 4.77 -0.35 6.45 -1.09 -1.26 -1.13 121.20 131.52 1otj s ILE 7 Ca 0.20 -0.69 -0.03 0.00 -2.23 0.00 0.00 60.65 57.91 1otj s ILE 7 Cb -0.17 -3.60 0.08 0.00 -1.58 0.00 0.00 42.46 37.19 1otj s ILE 7 CO 0.15 -0.17 0.10 -0.89 -1.23 0.00 0.00 174.94 172.90 1otj s THR 8 N 1.60 3.17 0.36 2.92 2.01 0.01 -4.95 115.64 120.76 1otj s THR 8 Ca 0.03 -1.70 -0.28 0.00 0.31 0.00 0.00 61.69 60.06 1otj s THR 8 Cb -0.19 -3.00 -0.12 0.00 0.01 0.00 0.00 72.50 69.21 1otj s THR 8 CO 0.08 -0.40 1.36 -2.65 -0.69 0.00 0.00 174.62 172.32 1otj n PRO 9 N 4.61 2.32 0.00 4.92 -0.02 -1.26 -0.46 135.00 145.12 1otj n PRO 9 Ca -0.07 0.81 0.11 0.00 -2.02 0.00 0.00 63.50 62.33 1otj n PRO 9 Cb 0.42 -2.46 0.08 0.00 -0.02 0.00 0.00 33.50 31.53 1otj n PRO 9 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1otj n LEU 10 N 0.61 1.80 -3.72 2.45 4.77 -0.01 -4.83 117.00 118.08 1otj n LEU 10 Ca 0.03 -0.65 -0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1otj n LEU 10 Cb 0.37 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1otj n LEU 10 CO 0.63 0.34 0.95 -0.83 -1.33 0.00 0.00 177.39 177.15 1otj s GLY 11 N -2.49 -0.28 0.28 -0.72 0.00 -1.25 -4.99 107.32 97.86 1otj s GLY 11 Ca 0.20 0.37 0.03 0.00 0.00 0.00 0.00 44.72 45.32 1otj s GLY 11 CO 0.56 0.89 1.69 -2.55 0.00 0.00 0.00 173.10 173.69 1otj h PRO 12 N 2.00 0.39 0.00 2.90 0.11 -1.94 -3.37 132.00 132.09 1otj h PRO 12 Ca -0.28 -0.17 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1otj h PRO 12 Cb 1.21 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1otj h PRO 12 CO 0.29 0.70 -1.42 0.66 -0.21 0.00 0.00 178.00 178.01 1otj n TYR 13 N -4.06 0.00 -3.59 0.65 4.01 -1.26 -5.07 117.16 107.84 1otj n TYR 13 Ca -0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.58 1otj n TYR 13 Cb 0.46 -0.23 -0.07 0.00 -0.31 0.00 0.00 39.34 39.19 1otj n TYR 13 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 1otj s ILE 14 N -2.55 0.00 0.00 -0.72 2.07 -1.26 -4.89 121.20 113.86 1otj s ILE 14 Ca -0.03 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 1otj s ILE 14 Cb 0.05 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.64 1otj s ILE 14 CO 0.36 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 174.00 1otj n GLY 15 N 1.88 0.93 3.62 1.50 0.00 -0.21 -3.86 105.19 109.05 1otj n GLY 15 Ca -0.16 -1.54 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 1otj n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1otj s ALA 16 N -1.75 -2.00 -0.11 4.61 0.00 -1.05 -0.83 121.76 120.63 1otj s ALA 16 Ca 0.00 1.76 -0.10 0.00 0.00 0.00 0.00 51.96 53.62 1otj s ALA 16 Cb 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.82 1otj s ALA 16 CO 0.00 -0.24 0.22 -0.65 0.00 0.00 0.00 175.76 175.09 1otj s GLN 17 N -0.30 3.74 -0.09 0.00 -0.21 0.40 -0.79 119.66 122.41 1otj s GLN 17 Ca 0.02 0.01 0.04 0.00 0.02 0.00 0.00 55.36 55.46 1otj s GLN 17 Cb -0.03 -3.25 -0.01 0.00 1.00 0.00 0.00 33.01 30.72 1otj s GLN 17 CO -0.05 0.64 -0.22 0.42 -2.12 0.00 0.00 175.29 173.96 1otj s ILE 18 N -0.69 2.31 0.10 1.08 1.01 0.92 -0.81 121.20 125.12 1otj s ILE 18 Ca 0.16 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.92 1otj s ILE 18 Cb -0.13 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1otj s ILE 18 CO 0.05 0.56 -0.14 -0.55 0.00 0.00 0.00 174.94 174.87 1otj s SER 19 N 0.07 1.85 0.00 3.58 0.15 -0.28 -4.41 113.70 114.66 1otj s SER 19 Ca -0.10 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 55.81 1otj s SER 19 Cb -0.15 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1otj s SER 19 CO 0.06 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1otj n GLY 20 N 0.79 0.88 2.84 9.45 0.00 -1.26 0.20 105.19 118.09 1otj n GLY 20 Ca -0.17 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 1otj n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1otj s ALA 21 N -2.00 1.34 -0.52 4.61 0.00 -1.26 -4.77 121.76 119.17 1otj s ALA 21 Ca 0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 51.96 50.89 1otj s ALA 21 Cb 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 23.12 21.99 1otj s ALA 21 CO 0.00 -0.97 0.91 0.34 0.00 0.00 0.00 175.76 176.04 1otj s ASP 22 N 1.69 6.38 0.00 0.00 -1.08 -1.26 -4.89 116.67 117.51 1otj s ASP 22 Ca -0.01 -0.23 0.28 0.00 -0.52 0.00 0.00 52.55 52.07 1otj s ASP 22 Cb -0.16 -2.43 1.14 0.00 -1.46 0.00 0.00 42.92 40.00 1otj s ASP 22 CO -0.07 -1.15 1.84 0.18 0.52 0.00 0.00 175.17 176.49 1otj n LEU 23 N 7.29 0.16 0.15 -1.34 4.77 -1.26 -3.27 117.00 123.50 1otj n LEU 23 Ca 0.03 0.30 0.02 0.00 -0.03 0.00 0.00 56.01 56.33 1otj n LEU 23 Cb 0.48 -0.38 0.14 0.00 -2.33 0.00 0.00 43.42 41.33 1otj n LEU 23 CO 0.63 0.04 0.51 0.71 -1.33 0.00 0.00 177.39 177.95 1otj h THR 24 N 0.08 1.03 -3.65 -5.08 1.35 -1.90 -3.44 112.91 101.30 1otj h THR 24 Ca 0.00 -2.10 -0.67 0.00 -0.55 0.00 0.00 66.41 63.09 1otj h THR 24 Cb 0.45 2.27 -0.17 0.00 -1.73 0.00 0.00 68.15 68.96 1otj h THR 24 CO 0.00 0.52 -0.74 0.00 -0.25 0.00 0.00 175.52 175.05 1otj s ARG 25 N -3.23 2.25 0.22 4.72 3.03 -1.20 -4.95 118.95 119.79 1otj s ARG 25 Ca 0.02 -0.92 -0.31 0.00 2.03 0.00 0.00 55.73 56.54 1otj s ARG 25 Cb 0.10 -2.34 -0.15 0.00 -1.03 0.00 0.00 34.95 31.53 1otj s ARG 25 CO 0.73 0.54 1.19 -2.30 -1.13 0.00 0.00 175.30 174.34 1otj n PRO 26 N 1.12 1.46 -3.10 3.89 -0.02 -1.26 -4.83 135.00 132.27 1otj n PRO 26 Ca -0.14 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.51 1otj n PRO 26 Cb 0.52 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 1otj n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1otj s LEU 27 N 0.41 4.24 0.00 2.45 1.43 -1.26 -5.05 118.68 120.90 1otj s LEU 27 Ca 0.68 1.39 -0.08 0.00 -1.03 0.00 0.00 54.13 55.09 1otj s LEU 27 Cb -0.75 -3.79 0.12 0.00 0.03 0.00 0.00 46.19 41.80 1otj s LEU 27 CO 0.54 -0.06 0.33 -1.54 0.23 0.00 0.00 176.35 175.84 1otj n SER 28 N 0.31 -2.27 0.07 2.29 3.41 -1.26 -4.73 113.62 111.44 1otj n SER 28 Ca 0.00 -0.45 -0.19 0.00 -0.26 0.00 0.00 58.87 57.97 1otj n SER 28 Cb 0.52 -0.34 -0.15 0.00 -0.26 0.00 0.00 64.21 63.98 1otj n SER 28 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1otj h ASP 29 N -2.23 0.49 -0.27 4.04 5.19 -1.98 -2.71 116.42 118.95 1otj h ASP 29 Ca -0.14 -0.68 -0.04 0.00 -0.62 0.00 0.00 57.03 55.56 1otj h ASP 29 Cb 0.45 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 1otj h ASP 29 CO 0.09 1.57 0.06 -1.13 -3.12 0.00 0.00 179.24 176.70 1otj h ASN 30 N 0.09 0.49 0.04 6.45 -1.24 -1.93 -1.76 115.58 117.71 1otj h ASN 30 Ca -0.27 -0.07 -0.07 0.00 0.71 0.00 0.00 56.30 56.59 1otj h ASN 30 Cb 2.05 -0.13 0.01 0.00 0.73 0.00 0.00 38.32 40.98 1otj h ASN 30 CO 0.17 0.52 -0.30 1.56 -1.29 0.00 0.00 177.43 178.09 1otj h GLN 31 N 0.52 0.13 -0.03 6.67 4.20 -1.90 -3.13 115.11 121.56 1otj h GLN 31 Ca 0.12 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1otj h GLN 31 Cb 0.25 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1otj h GLN 31 CO 0.00 1.05 0.03 0.35 -0.67 0.00 0.00 178.83 179.59 1otj h PHE 32 N -0.69 0.00 -0.14 2.96 3.04 -1.44 -1.07 116.94 119.61 1otj h PHE 32 Ca -0.05 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.85 1otj h PHE 32 Cb 1.19 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.70 1otj h PHE 32 CO 0.23 0.00 -0.11 1.49 -2.02 0.00 0.00 178.31 177.90 1otj h GLU 33 N 0.00 0.31 0.00 1.11 4.81 -1.38 -1.29 114.58 118.15 1otj h GLU 33 Ca 0.02 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1otj h GLU 33 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1otj h GLU 33 CO -0.00 0.69 0.00 -0.56 -0.73 0.00 0.00 179.01 178.41 1otj h GLN 34 N -0.05 0.00 -0.07 1.92 3.07 -1.36 -0.51 115.11 118.10 1otj h GLN 34 Ca 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.66 1otj h GLN 34 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.18 1otj h GLN 34 CO 0.03 0.00 -0.36 1.25 0.09 0.00 0.00 178.83 179.84 1otj h LEU 35 N 0.00 0.44 -0.21 0.06 5.85 -1.15 -0.88 115.31 119.42 1otj h LEU 35 Ca 0.00 -0.65 0.03 0.00 0.84 0.00 0.00 57.88 58.10 1otj h LEU 35 Cb 0.76 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1otj h LEU 35 CO 0.00 1.02 0.04 0.22 -0.34 0.00 0.00 178.44 179.37 1otj h TYR 36 N -0.11 0.06 0.00 1.25 3.20 -0.94 -1.60 116.97 118.83 1otj h TYR 36 Ca -0.02 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1otj h TYR 36 Cb 1.01 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 1otj h TYR 36 CO 0.13 0.02 -0.37 0.45 -1.64 0.00 0.00 178.16 176.75 1otj h HIS 37 N 0.12 0.00 -0.12 -3.82 3.86 -1.11 -2.05 115.15 112.03 1otj h HIS 37 Ca 0.09 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.14 1otj h HIS 37 Cb 0.09 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1otj h HIS 37 CO -0.15 0.37 -0.61 0.00 0.86 0.00 0.00 177.93 178.40 1otj h ALA 38 N 1.63 0.74 -0.27 2.45 0.00 -0.72 -0.35 119.26 122.75 1otj h ALA 38 Ca -0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 1otj h ALA 38 Cb 0.76 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1otj h ALA 38 CO 0.05 0.72 -0.17 0.28 0.00 0.00 0.00 179.25 180.12 1otj h VAL 39 N 0.29 1.30 -0.45 0.00 2.07 -0.97 0.46 116.25 118.96 1otj h VAL 39 Ca -0.01 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 1otj h VAL 39 Cb 1.14 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1otj h VAL 39 CO 0.10 0.41 0.10 -0.07 0.02 0.00 0.00 177.57 178.14 1otj h LEU 40 N 0.32 0.68 -0.05 2.57 3.38 -1.31 0.44 115.31 121.34 1otj h LEU 40 Ca 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1otj h LEU 40 Cb 0.70 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1otj h LEU 40 CO 0.05 0.74 -0.03 -0.09 0.09 0.00 0.00 178.44 179.20 1otj h ARG 41 N 0.59 0.10 -0.15 1.13 2.43 -0.97 -3.30 114.38 114.22 1otj h ARG 41 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1otj h ARG 41 Cb 0.33 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1otj h ARG 41 CO 0.00 0.51 0.00 0.72 -1.51 0.00 0.00 179.97 179.69 1otj n HIS 42 N -4.80 0.18 0.00 2.20 8.25 0.16 -4.96 115.22 116.25 1otj n HIS 42 Ca -0.08 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1otj n HIS 42 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 1otj n HIS 42 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1otj n GLN 43 N 0.96 0.00 -3.70 -0.41 6.02 0.15 -1.05 117.38 119.35 1otj n GLN 43 Ca 0.17 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.05 1otj n GLN 43 Cb 0.50 -0.93 -0.11 0.00 1.02 0.00 0.00 30.24 30.72 1otj n GLN 43 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1otj s VAL 44 N 0.00 -0.03 0.12 5.09 0.11 -1.26 0.06 120.40 124.49 1otj s VAL 44 Ca 0.00 0.10 0.09 0.00 -2.93 0.00 0.00 61.98 59.24 1otj s VAL 44 Cb 0.00 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1otj s VAL 44 CO 0.00 0.04 -0.23 0.68 -3.33 0.00 0.00 175.10 172.26 1otj s VAL 45 N 1.39 1.95 -0.06 2.04 -7.23 0.68 -2.52 120.40 116.65 1otj s VAL 45 Ca -0.10 -1.67 0.05 0.00 -1.81 0.00 0.00 61.98 58.46 1otj s VAL 45 Cb -0.08 -1.76 -0.00 0.00 0.56 0.00 0.00 36.38 35.09 1otj s VAL 45 CO -0.13 -0.02 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.08 1otj s PHE 46 N -1.19 2.07 -0.10 2.82 0.08 0.03 -1.48 117.98 120.21 1otj s PHE 46 Ca 0.10 -0.68 0.01 0.00 0.12 0.00 0.00 56.93 56.48 1otj s PHE 46 Cb -0.10 -1.39 0.02 0.00 -0.57 0.00 0.00 43.02 40.99 1otj s PHE 46 CO 0.05 -0.24 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.32 1otj s LEU 47 N 0.11 1.39 0.32 -0.37 1.02 0.12 -0.05 118.68 121.21 1otj s LEU 47 Ca -0.08 -0.32 0.06 0.00 0.02 0.00 0.00 54.13 53.81 1otj s LEU 47 Cb -0.14 -0.87 -0.01 0.00 0.02 0.00 0.00 46.19 45.19 1otj s LEU 47 CO 0.04 -0.06 0.46 -0.13 0.02 0.00 0.00 176.35 176.68 1otj s ARG 48 N 1.33 3.16 -1.22 1.70 0.52 -1.26 0.50 118.95 123.67 1otj s ARG 48 Ca -0.02 -0.98 -0.01 0.00 -0.52 0.00 0.00 55.73 54.20 1otj s ARG 48 Cb -0.14 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.51 1otj s ARG 48 CO -0.04 0.10 1.02 -0.25 0.02 0.00 0.00 175.30 176.15 1otj n ASP 49 N -1.62 -2.55 -3.69 0.23 8.00 -1.21 -4.94 116.55 110.76 1otj n ASP 49 Ca -0.01 -0.61 -0.27 0.00 0.71 0.00 0.00 54.79 54.60 1otj n ASP 49 Cb 0.58 -5.12 -0.10 0.00 -0.02 0.00 0.00 41.12 36.46 1otj n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1otj n GLN 50 N -4.23 1.88 -1.93 -1.24 1.13 -0.07 -5.00 117.38 107.91 1otj n GLN 50 Ca -0.25 -4.40 -0.35 0.00 -1.94 0.00 0.00 57.00 50.05 1otj n GLN 50 Cb 0.66 -2.19 -0.04 0.00 0.11 0.00 0.00 30.24 28.77 1otj n GLN 50 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1otj n ALA 51 N 1.67 2.74 -2.69 -1.58 0.00 -1.26 -4.73 120.51 114.65 1otj n ALA 51 Ca 0.24 -3.30 -0.22 0.00 0.00 0.00 0.00 53.44 50.16 1otj n ALA 51 Cb 0.38 -3.54 -0.01 0.00 0.00 0.00 0.00 19.45 16.28 1otj n ALA 51 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1otj s ILE 52 N 7.85 4.81 0.30 0.00 -5.25 -1.26 -4.88 121.20 122.77 1otj s ILE 52 Ca 0.62 -0.77 0.07 0.00 -0.99 0.00 0.00 60.65 59.57 1otj s ILE 52 Cb 0.05 -3.72 -0.03 0.00 2.95 0.00 0.00 42.46 41.71 1otj s ILE 52 CO 0.11 -0.36 0.32 0.42 -1.79 0.00 0.00 174.94 173.63 1otj s THR 53 N -2.19 4.08 0.44 8.37 -4.23 -1.26 -4.94 115.64 115.90 1otj s THR 53 Ca 0.40 -1.25 0.18 0.00 -1.18 0.00 0.00 61.69 59.84 1otj s THR 53 Cb -0.09 -3.37 0.38 0.00 1.34 0.00 0.00 72.50 70.76 1otj s THR 53 CO 0.33 -0.23 1.89 -0.65 -0.54 0.00 0.00 174.62 175.42 1otj h PRO 54 N 1.21 0.34 0.39 3.99 0.11 -1.98 -0.24 132.00 135.82 1otj h PRO 54 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1otj h PRO 54 Cb 1.25 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1otj h PRO 54 CO 0.58 0.23 -0.33 1.96 -0.21 0.00 0.00 178.00 180.22 1otj h GLN 55 N 0.35 -0.68 -0.01 1.05 7.50 -1.97 -0.06 115.11 121.30 1otj h GLN 55 Ca 0.42 0.05 -0.05 0.00 0.50 0.00 0.00 58.65 59.56 1otj h GLN 55 Cb 1.09 0.16 -0.01 0.00 0.05 0.00 0.00 27.48 28.76 1otj h GLN 55 CO -0.13 -0.45 -0.25 -0.56 -1.50 0.00 0.00 178.83 175.94 1otj h GLN 56 N -0.71 0.01 -0.16 1.46 3.07 -1.80 -1.57 115.11 115.41 1otj h GLN 56 Ca -0.05 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.67 1otj h GLN 56 Cb 0.60 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.15 1otj h GLN 56 CO -0.01 0.26 0.03 0.37 0.09 0.00 0.00 178.83 179.57 1otj h GLN 57 N 0.01 0.27 -0.87 0.06 4.15 -0.85 0.10 115.11 117.98 1otj h GLN 57 Ca -0.00 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.36 1otj h GLN 57 Cb 0.44 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 1otj h GLN 57 CO 0.03 0.44 0.57 -0.09 -1.93 0.00 0.00 178.83 177.85 1otj h ARG 58 N 0.06 1.14 -0.05 1.69 2.43 -0.68 -1.61 114.38 117.36 1otj h ARG 58 Ca 0.05 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1otj h ARG 58 Cb 0.30 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1otj h ARG 58 CO 0.00 0.75 0.03 0.00 -1.51 0.00 0.00 179.97 179.24 1otj h ALA 59 N 1.46 0.06 -0.44 2.80 0.00 -0.82 0.13 119.26 122.45 1otj h ALA 59 Ca 0.32 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1otj h ALA 59 Cb -0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1otj h ALA 59 CO -0.07 -0.40 0.27 1.25 0.00 0.00 0.00 179.25 180.30 1otj h LEU 60 N -0.01 0.44 -0.63 0.00 5.85 -0.40 -2.43 115.31 118.14 1otj h LEU 60 Ca 0.02 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1otj h LEU 60 Cb 0.08 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1otj h LEU 60 CO -0.00 0.32 0.21 0.00 -0.34 0.00 0.00 178.44 178.62 1otj h ALA 61 N 1.19 0.82 -0.98 1.25 0.00 -1.16 -2.59 119.26 117.79 1otj h ALA 61 Ca 0.17 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 55.15 1otj h ALA 61 Cb -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1otj h ALA 61 CO -0.07 0.48 0.68 1.96 0.00 0.00 0.00 179.25 182.30 1otj h GLN 62 N 0.90 0.14 0.00 0.00 1.08 -0.25 0.24 115.11 117.21 1otj h GLN 62 Ca 0.20 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1otj h GLN 62 Cb 0.27 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1otj h GLN 62 CO -0.01 0.09 -0.00 0.00 -0.95 0.00 0.00 178.83 177.96 1otj h ARG 63 N 0.14 0.00 0.00 1.46 3.08 -1.26 -2.37 114.38 115.43 1otj h ARG 63 Ca 0.49 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.50 1otj h ARG 63 Cb 1.68 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.72 1otj h ARG 63 CO -0.09 0.00 -0.79 0.74 -1.07 0.00 0.00 179.97 178.76 1otj h PHE 64 N 0.00 0.00 0.00 3.04 -1.00 -0.64 -3.50 116.94 114.83 1otj h PHE 64 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1otj h PHE 64 Cb 0.53 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.09 1otj h PHE 64 CO 0.00 0.15 0.00 0.41 -1.61 0.00 0.00 178.31 177.26 1otj n GLY 65 N 1.20 -0.18 3.76 -1.45 0.00 -0.89 -5.02 105.19 102.62 1otj n GLY 65 Ca -0.01 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 1otj n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1otj s GLU 66 N -2.00 3.52 -0.08 1.61 8.01 -1.26 -4.21 118.70 124.29 1otj s GLU 66 Ca 0.00 1.98 -0.05 0.00 0.01 0.00 0.00 54.97 56.91 1otj s GLU 66 Cb 0.00 -2.36 -0.04 0.00 -4.31 0.00 0.00 34.13 27.42 1otj s GLU 66 CO 0.00 -0.81 0.14 -0.51 0.01 0.00 0.00 175.26 174.09 1otj s LEU 67 N -3.20 4.28 0.12 1.80 1.43 -1.26 -0.45 118.68 121.40 1otj s LEU 67 Ca 0.66 0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 53.97 1otj s LEU 67 Cb -0.34 -2.22 -0.07 0.00 0.03 0.00 0.00 46.19 43.60 1otj s LEU 67 CO 0.41 0.36 0.59 -2.28 0.23 0.00 0.00 176.35 175.65 1otj s HIS 68 N -1.11 3.72 -0.27 0.29 5.65 0.71 -4.83 115.29 119.44 1otj s HIS 68 Ca 0.19 1.22 -0.07 0.00 0.25 0.00 0.00 55.06 56.65 1otj s HIS 68 Cb -0.12 -2.47 -0.01 0.00 -1.18 0.00 0.00 32.58 28.79 1otj s HIS 68 CO 0.09 0.50 0.07 0.42 -0.65 0.00 0.00 174.74 175.17 1otj s ILE 69 N -1.29 4.15 0.31 0.89 1.01 -1.26 -4.59 121.20 120.42 1otj s ILE 69 Ca 0.34 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.31 1otj s ILE 69 Cb -0.18 -3.02 -0.10 0.00 0.01 0.00 0.00 42.46 39.17 1otj s ILE 69 CO 0.19 0.24 1.42 -2.28 0.00 0.00 0.00 174.94 174.52 1otj s HIS 70 N 1.57 2.90 -0.06 3.97 2.46 -1.26 -4.93 115.29 119.94 1otj s HIS 70 Ca 0.05 1.16 0.31 0.00 0.47 0.00 0.00 55.06 57.05 1otj s HIS 70 Cb -0.16 -3.85 1.23 0.00 -0.13 0.00 0.00 32.58 29.68 1otj s HIS 70 CO 0.03 -2.58 1.91 -1.35 -2.47 0.00 0.00 174.74 170.28 1otj h PRO 71 N 4.01 0.00 0.00 2.88 0.11 -1.97 -3.39 132.00 133.64 1otj h PRO 71 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1otj h PRO 71 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1otj h PRO 71 CO 0.71 0.00 -0.51 1.33 -0.21 0.00 0.00 178.00 179.32 1otj n VAL 72 N -2.89 0.00 -2.03 3.15 0.24 -1.26 -4.69 118.33 110.86 1otj n VAL 72 Ca 0.01 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.93 1otj n VAL 72 Cb 0.30 -0.38 0.01 0.00 -1.47 0.00 0.00 33.84 32.30 1otj n VAL 72 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1otj s TYR 73 N -1.51 2.62 0.60 6.34 2.02 -1.26 -4.99 117.35 121.16 1otj s TYR 73 Ca 0.00 1.45 -0.17 0.00 -0.37 0.00 0.00 57.07 57.98 1otj s TYR 73 Cb 0.00 -3.60 -0.03 0.00 -0.40 0.00 0.00 41.96 37.93 1otj s TYR 73 CO 0.00 -2.18 1.11 -2.14 -1.57 0.00 0.00 175.55 170.77 1otj s PRO 74 N -2.72 3.12 0.30 -1.71 0.02 -1.26 -4.85 135.00 127.90 1otj s PRO 74 Ca 0.66 1.47 0.10 0.00 0.02 0.00 0.00 61.00 63.24 1otj s PRO 74 Cb -0.35 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.13 1otj s PRO 74 CO 0.42 -1.01 -0.05 -3.38 -0.33 0.00 0.00 177.00 172.65 1otj s HIS 75 N -2.10 2.52 0.60 6.54 -3.43 -1.26 0.61 115.29 118.78 1otj s HIS 75 Ca 0.69 -0.34 -0.17 0.00 -0.80 0.00 0.00 55.06 54.44 1otj s HIS 75 Cb -0.21 -1.25 -0.03 0.00 -1.43 0.00 0.00 32.58 29.66 1otj s HIS 75 CO 0.34 0.60 1.11 0.00 -2.00 0.00 0.00 174.74 174.79 1otj s ALA 76 N -2.45 2.60 0.15 -1.38 0.00 0.11 -4.69 121.76 116.10 1otj s ALA 76 Ca 0.32 0.66 -0.32 0.00 0.00 0.00 0.00 51.96 52.62 1otj s ALA 76 Cb -0.04 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.64 1otj s ALA 76 CO 0.18 -0.99 1.75 0.39 0.00 0.00 0.00 175.76 177.09 1otj n GLU 77 N -1.85 2.64 -0.01 0.00 1.02 -1.26 -2.00 120.64 119.18 1otj n GLU 77 Ca 0.11 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 58.21 1otj n GLU 77 Cb 0.52 -2.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.13 1otj n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1otj n GLY 78 N 4.00 2.28 2.68 0.62 0.00 -1.26 -4.89 105.19 108.61 1otj n GLY 78 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1otj n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1otj s VAL 79 N -2.54 1.72 0.59 1.61 1.01 -0.85 -4.98 120.40 116.96 1otj s VAL 79 Ca 0.00 -3.45 0.29 0.00 0.00 0.00 0.00 61.98 58.82 1otj s VAL 79 Cb 0.00 -2.15 0.38 0.00 0.00 0.00 0.00 36.38 34.61 1otj s VAL 79 CO 0.00 -1.09 1.94 0.44 0.00 0.00 0.00 175.10 176.40 1otj h ASP 80 N 5.64 0.00 1.91 3.32 5.19 -1.91 -2.03 116.42 128.54 1otj h ASP 80 Ca 0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1otj h ASP 80 Cb 0.83 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.34 1otj h ASP 80 CO 0.55 0.00 -0.03 -0.33 -3.12 0.00 0.00 179.24 176.32 1otj h GLU 81 N 0.00 0.00 -5.04 3.56 3.07 -1.91 -3.43 114.58 110.83 1otj h GLU 81 Ca 0.19 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.37 1otj h GLU 81 Cb 1.02 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.76 1otj h GLU 81 CO -0.00 0.00 0.05 0.42 -1.40 0.00 0.00 179.01 178.08 1otj s ILE 82 N -3.20 4.87 0.40 3.13 -1.09 -0.76 -4.44 121.20 120.11 1otj s ILE 82 Ca 0.07 -0.37 -0.23 0.00 -2.23 0.00 0.00 60.65 57.90 1otj s ILE 82 Cb 0.06 -4.27 -0.10 0.00 -1.58 0.00 0.00 42.46 36.57 1otj s ILE 82 CO 0.66 -0.75 0.97 0.27 -1.23 0.00 0.00 174.94 174.87 1otj s ILE 83 N 2.65 4.19 -0.22 2.92 -4.36 -0.92 0.09 121.20 125.54 1otj s ILE 83 Ca 0.16 1.54 -0.07 0.00 -0.26 0.00 0.00 60.65 62.02 1otj s ILE 83 Cb -0.18 -3.72 -0.03 0.00 1.25 0.00 0.00 42.46 39.78 1otj s ILE 83 CO 0.13 -0.13 0.04 -0.69 0.24 0.00 0.00 174.94 174.54 1otj s VAL 84 N -1.92 4.24 -0.87 8.37 1.01 0.20 -1.97 120.40 129.47 1otj s VAL 84 Ca 0.58 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.29 1otj s VAL 84 Cb -0.14 -2.95 0.22 0.00 0.00 0.00 0.00 36.38 33.50 1otj s VAL 84 CO 0.19 0.38 0.78 -0.76 0.00 0.00 0.00 175.10 175.69 1otj s LEU 85 N 1.26 5.97 -0.63 3.92 1.43 0.13 -4.34 118.68 126.42 1otj s LEU 85 Ca 0.04 -3.25 -0.15 0.00 -1.03 0.00 0.00 54.13 49.74 1otj s LEU 85 Cb -0.15 -2.04 0.16 0.00 0.03 0.00 0.00 46.19 44.19 1otj s LEU 85 CO 0.03 -0.35 0.59 -0.62 0.23 0.00 0.00 176.35 176.24 1otj s ASP 86 N 0.95 6.37 0.03 2.29 -1.08 -1.26 -1.28 116.67 122.69 1otj s ASP 86 Ca 0.23 -2.06 0.01 0.00 -0.52 0.00 0.00 52.55 50.21 1otj s ASP 86 Cb -0.11 -2.21 -0.04 0.00 -1.46 0.00 0.00 42.92 39.09 1otj s ASP 86 CO -0.09 -0.78 0.08 0.42 0.52 0.00 0.00 175.17 175.33 1otj s THR 87 N 1.20 4.67 -0.01 1.71 -4.23 0.71 -4.80 115.64 114.88 1otj s THR 87 Ca 0.08 -0.53 -0.06 0.00 -1.18 0.00 0.00 61.69 60.00 1otj s THR 87 Cb -0.23 -3.18 0.02 0.00 1.34 0.00 0.00 72.50 70.45 1otj s THR 87 CO -0.01 0.27 0.27 0.00 -0.54 0.00 0.00 174.62 174.61 1otj n HIS 88 N 0.92 -0.16 -0.34 3.99 1.44 -0.59 -0.96 115.22 119.51 1otj n HIS 88 Ca -0.11 -0.14 0.11 0.00 -2.01 0.00 0.00 57.72 55.57 1otj n HIS 88 Cb 0.52 0.06 0.29 0.00 0.12 0.00 0.00 29.99 30.99 1otj n HIS 88 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 1otj h ASN 89 N 0.41 0.76 -0.08 4.39 -0.26 -1.85 0.27 115.58 119.22 1otj h ASN 89 Ca -0.04 0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1otj h ASN 89 Cb 0.24 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 1otj h ASN 89 CO 0.06 0.30 0.00 0.47 -1.06 0.00 0.00 177.43 177.20 1otj n ASP 90 N -4.77 1.04 -2.81 5.81 8.00 -1.26 -4.25 116.55 118.31 1otj n ASP 90 Ca 0.22 -1.53 -0.09 0.00 0.71 0.00 0.00 54.79 54.10 1otj n ASP 90 Cb 0.52 -0.05 0.02 0.00 -0.02 0.00 0.00 41.12 41.59 1otj n ASP 90 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1otj n ASN 91 N -0.12 -2.78 -4.73 -2.24 5.15 0.01 -5.15 115.26 105.40 1otj n ASN 91 Ca 0.17 -3.09 -0.40 0.00 -0.60 0.00 0.00 54.58 50.66 1otj n ASN 91 Cb 0.24 1.53 0.02 0.00 -0.53 0.00 0.00 39.78 41.04 1otj n ASN 91 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1otj n PRO 92 N 2.13 2.05 -1.68 1.20 -0.02 -0.76 -1.55 135.00 136.37 1otj n PRO 92 Ca 0.14 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.94 1otj n PRO 92 Cb 0.59 -2.52 0.01 0.00 -0.02 0.00 0.00 33.50 31.56 1otj n PRO 92 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1otj n PRO 93 N -0.20 1.84 -0.39 0.52 -0.02 -1.26 -4.89 135.00 130.60 1otj n PRO 93 Ca 0.06 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.26 1otj n PRO 93 Cb 0.41 -2.31 0.09 0.00 -0.02 0.00 0.00 33.50 31.67 1otj n PRO 93 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1otj n ASP 94 N 0.31 1.41 -0.49 2.55 5.75 -1.26 -4.74 116.55 120.08 1otj n ASP 94 Ca 0.07 -2.75 0.07 0.00 -0.01 0.00 0.00 54.79 52.16 1otj n ASP 94 Cb 0.39 -0.36 0.16 0.00 -1.03 0.00 0.00 41.12 40.29 1otj n ASP 94 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1otj n ASN 95 N -0.78 2.99 -3.58 -1.12 3.02 -1.26 -4.78 115.26 109.75 1otj n ASN 95 Ca 0.10 -2.62 -0.41 0.00 -0.03 0.00 0.00 54.58 51.62 1otj n ASN 95 Cb 0.71 -0.35 -0.00 0.00 -0.61 0.00 0.00 39.78 39.52 1otj n ASN 95 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1otj n ASP 96 N -0.48 7.19 -3.53 6.41 5.75 -1.08 -0.61 116.55 130.20 1otj n ASP 96 Ca 0.14 -3.07 -0.17 0.00 -0.01 0.00 0.00 54.79 51.68 1otj n ASP 96 Cb 0.62 -1.42 -0.06 0.00 -1.03 0.00 0.00 41.12 39.23 1otj n ASP 96 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1otj s ASN 97 N 0.74 -0.62 -0.19 -1.12 2.20 -1.26 -4.93 114.94 109.77 1otj s ASN 97 Ca 0.51 0.68 -0.29 0.00 -0.94 0.00 0.00 52.86 52.83 1otj s ASN 97 Cb 0.16 0.52 -0.02 0.00 -2.00 0.00 0.00 41.25 39.91 1otj s ASN 97 CO -0.06 -0.56 1.37 0.26 -2.94 0.00 0.00 177.10 175.16 1otj s TRP 98 N -1.15 2.60 0.10 1.54 0.52 -1.26 -4.38 118.94 116.92 1otj s TRP 98 Ca -0.09 0.81 -0.09 0.00 0.02 0.00 0.00 56.10 56.75 1otj s TRP 98 Cb -0.00 -3.70 0.00 0.00 -1.15 0.00 0.00 33.47 28.61 1otj s TRP 98 CO 0.09 -2.14 0.22 -3.38 0.02 0.00 0.00 176.95 171.75 1otj s HIS 99 N 3.97 0.16 -0.09 -1.98 -3.43 -0.78 -0.77 115.29 112.36 1otj s HIS 99 Ca 0.60 -0.57 0.02 0.00 -0.80 0.00 0.00 55.06 54.30 1otj s HIS 99 Cb -0.23 -0.04 -0.02 0.00 -1.43 0.00 0.00 32.58 30.87 1otj s HIS 99 CO 0.20 -0.58 -0.15 0.99 -2.00 0.00 0.00 174.74 173.20 1otj s THR 100 N -3.87 2.95 0.19 -5.38 2.01 -1.26 -0.33 115.64 109.94 1otj s THR 100 Ca 0.07 -0.73 -0.33 0.00 0.31 0.00 0.00 61.69 61.01 1otj s THR 100 Cb 0.04 -2.19 -0.13 0.00 0.01 0.00 0.00 72.50 70.23 1otj s THR 100 CO -0.09 0.55 1.65 0.47 -0.69 0.00 0.00 174.62 176.51 1otj n ASP 101 N 3.01 3.53 -4.03 3.53 8.00 -1.26 -3.85 116.55 125.48 1otj n ASP 101 Ca -0.18 1.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.98 1otj n ASP 101 Cb 0.52 -1.50 0.02 0.00 -0.02 0.00 0.00 41.12 40.14 1otj n ASP 101 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1otj n VAL 102 N 3.65 -2.53 1.24 2.53 0.31 -1.26 -4.24 118.33 118.04 1otj n VAL 102 Ca 0.16 -0.47 0.11 0.00 -0.01 0.00 0.00 64.34 64.13 1otj n VAL 102 Cb 0.32 -2.17 0.40 0.00 -0.91 0.00 0.00 33.84 31.48 1otj n VAL 102 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1otj n THR 103 N -4.52 0.17 1.84 2.52 -2.24 -1.25 -3.87 114.28 106.93 1otj n THR 103 Ca -0.13 -0.35 0.11 0.00 -2.27 0.00 0.00 64.05 61.41 1otj n THR 103 Cb 0.55 0.45 0.59 0.00 -2.10 0.00 0.00 70.33 69.81 1otj n THR 103 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1otj n PHE 104 N 0.36 0.04 -4.10 4.78 1.16 -1.26 -4.81 117.46 113.63 1otj n PHE 104 Ca 0.17 -0.02 -0.23 0.00 -1.87 0.00 0.00 57.45 55.50 1otj n PHE 104 Cb 0.35 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.16 1otj n PHE 104 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 1otj s ILE 105 N -1.96 2.99 0.37 1.97 -4.36 -1.25 -4.74 121.20 114.21 1otj s ILE 105 Ca 0.33 -1.70 0.15 0.00 -0.26 0.00 0.00 60.65 59.17 1otj s ILE 105 Cb 0.16 -2.97 0.14 0.00 1.25 0.00 0.00 42.46 41.03 1otj s ILE 105 CO 0.26 -0.18 1.88 -0.08 0.24 0.00 0.00 174.94 177.06 1otj h GLU 106 N 1.55 0.00 -2.63 0.37 4.81 -1.93 -3.32 114.58 113.43 1otj h GLU 106 Ca -0.44 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.19 1otj h GLU 106 Cb 1.25 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.22 1otj h GLU 106 CO 0.63 0.31 -0.72 0.25 -0.73 0.00 0.00 179.01 178.76 1otj n THR 107 N -4.02 0.92 -1.29 0.32 -2.24 -1.26 -4.23 114.28 102.48 1otj n THR 107 Ca -0.02 -4.54 -0.36 0.00 -2.27 0.00 0.00 64.05 56.86 1otj n THR 107 Cb 0.37 -2.03 0.07 0.00 -2.10 0.00 0.00 70.33 66.64 1otj n THR 107 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1otj n PRO 108 N 1.87 0.33 -1.70 -0.78 -0.02 -1.25 -3.83 135.00 129.62 1otj n PRO 108 Ca 0.24 0.15 -0.43 0.00 -2.02 0.00 0.00 63.50 61.44 1otj n PRO 108 Cb 0.41 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 32.06 1otj n PRO 108 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1otj n PRO 109 N -0.65 2.23 0.14 0.52 -0.02 -1.26 -1.93 135.00 134.04 1otj n PRO 109 Ca 0.10 0.79 0.01 0.00 -2.02 0.00 0.00 63.50 62.39 1otj n PRO 109 Cb 0.50 -2.45 0.12 0.00 -0.02 0.00 0.00 33.50 31.64 1otj n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1otj h ALA 110 N 3.68 0.75 -2.35 3.55 0.00 0.51 -3.38 119.26 122.02 1otj h ALA 110 Ca -0.46 -0.52 0.10 0.00 0.00 0.00 0.00 54.91 54.03 1otj h ALA 110 Cb 1.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1otj h ALA 110 CO 0.71 0.71 0.40 0.41 0.00 0.00 0.00 179.25 181.48 1otj n GLY 111 N 0.81 0.86 3.43 0.00 0.00 -1.09 -0.69 105.19 108.51 1otj n GLY 111 Ca 0.01 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 1otj n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1otj s ALA 112 N -1.76 -1.52 -0.13 4.61 0.00 -1.06 -0.92 121.76 120.97 1otj s ALA 112 Ca 0.16 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.86 1otj s ALA 112 Cb -0.02 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1otj s ALA 112 CO 0.05 -0.57 -0.19 0.42 0.00 0.00 0.00 175.76 175.47 1otj s ILE 113 N -2.62 1.81 -0.11 0.00 1.01 0.11 -2.19 121.20 119.22 1otj s ILE 113 Ca -0.04 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.80 1otj s ILE 113 Cb -0.01 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1otj s ILE 113 CO -0.03 0.50 -0.14 -0.22 0.00 0.00 0.00 174.94 175.05 1otj s LEU 114 N 1.00 2.68 -0.11 2.97 2.96 0.23 -0.67 118.68 127.74 1otj s LEU 114 Ca -0.04 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1otj s LEU 114 Cb -0.15 -1.58 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 1otj s LEU 114 CO -0.04 0.21 -0.21 0.00 -1.32 0.00 0.00 176.35 174.99 1otj s ALA 115 N 0.06 2.27 -0.53 5.97 0.00 0.79 -0.42 121.76 129.90 1otj s ALA 115 Ca -0.05 -0.98 -0.23 0.00 0.00 0.00 0.00 51.96 50.69 1otj s ALA 115 Cb -0.15 -0.93 0.04 0.00 0.00 0.00 0.00 23.12 22.08 1otj s ALA 115 CO 0.04 0.21 0.87 0.00 0.00 0.00 0.00 175.76 176.88 1otj s ALA 116 N 0.45 3.22 -0.13 0.00 0.00 -0.67 -1.08 121.76 123.55 1otj s ALA 116 Ca -0.15 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.48 1otj s ALA 116 Cb -0.17 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.29 1otj s ALA 116 CO 0.06 -2.25 -0.13 0.87 0.00 0.00 0.00 175.76 174.31 1otj h LYS 117 N 9.21 0.00 -4.43 0.00 1.79 -1.61 0.43 116.57 121.96 1otj h LYS 117 Ca -0.26 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.69 1otj h LYS 117 Cb 1.08 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.38 1otj h LYS 117 CO 1.05 0.00 -0.81 -2.00 -1.08 0.00 0.00 179.45 176.61 1otj s GLU 118 N -2.06 1.65 0.18 3.15 2.12 -0.75 -4.58 118.70 118.41 1otj s GLU 118 Ca -0.11 -0.36 0.10 0.00 0.36 0.00 0.00 54.97 54.97 1otj s GLU 118 Cb 0.02 -1.49 -0.04 0.00 0.26 0.00 0.00 34.13 32.87 1otj s GLU 118 CO 0.16 -0.09 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.06 1otj s LEU 119 N 1.08 2.43 0.82 2.70 1.43 -1.26 0.32 118.68 126.19 1otj s LEU 119 Ca -0.07 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.06 1otj s LEU 119 Cb -0.14 -1.06 0.08 0.00 0.03 0.00 0.00 46.19 45.10 1otj s LEU 119 CO -0.01 0.07 1.10 -2.84 0.23 0.00 0.00 176.35 174.90 1otj s PRO 120 N -2.67 1.89 0.27 1.29 0.02 -1.24 -4.92 135.00 129.65 1otj s PRO 120 Ca 0.19 0.63 0.01 0.00 0.02 0.00 0.00 61.00 61.85 1otj s PRO 120 Cb -0.07 -1.90 0.61 0.00 0.02 0.00 0.00 34.50 33.16 1otj s PRO 120 CO 0.09 -1.75 1.74 0.66 -0.33 0.00 0.00 177.00 177.40 1otj h SER 121 N -1.18 0.46 -5.17 2.53 4.64 -1.95 -3.44 113.55 109.42 1otj h SER 121 Ca -0.48 0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 60.93 1otj h SER 121 Cb 1.28 0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 63.35 1otj h SER 121 CO 0.59 0.13 0.01 0.28 -0.87 0.00 0.00 176.83 176.97 1otj s THR 122 N -5.93 0.00 0.00 2.95 -1.32 -1.26 -5.15 115.64 104.93 1otj s THR 122 Ca -0.12 -1.27 0.00 0.00 -1.21 0.00 0.00 61.69 59.09 1otj s THR 122 Cb 0.23 -2.24 0.00 0.00 -1.51 0.00 0.00 72.50 68.99 1otj s THR 122 CO 0.78 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.80 1otj n GLY 123 N -0.43 -2.34 2.07 6.08 0.00 -1.26 -4.77 105.19 104.54 1otj n GLY 123 Ca -0.03 -1.57 -0.01 0.00 0.00 0.00 0.00 46.02 44.42 1otj n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1otj n GLY 124 N -0.53 0.48 3.58 -0.02 0.00 -1.26 -4.83 105.19 102.62 1otj n GLY 124 Ca 0.00 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1otj n GLY 124 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1otj n ASP 125 N 0.65 0.18 -4.20 1.61 8.00 -1.26 -4.48 116.55 117.04 1otj n ASP 125 Ca -0.01 0.70 -0.29 0.00 0.71 0.00 0.00 54.79 55.91 1otj n ASP 125 Cb 0.05 -1.35 -0.16 0.00 -0.02 0.00 0.00 41.12 39.63 1otj n ASP 125 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1otj s THR 126 N -1.72 1.76 0.09 -3.53 2.01 -0.93 -0.97 115.64 112.34 1otj s THR 126 Ca 0.73 -0.90 0.08 0.00 0.31 0.00 0.00 61.69 61.91 1otj s THR 126 Cb -0.37 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1otj s THR 126 CO 0.50 0.50 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.99 1otj s LEU 127 N -0.05 2.66 0.02 4.42 1.02 0.10 -1.05 118.68 125.80 1otj s LEU 127 Ca -0.04 -0.52 0.07 0.00 0.02 0.00 0.00 54.13 53.66 1otj s LEU 127 Cb -0.13 -1.53 -0.02 0.00 0.02 0.00 0.00 46.19 44.53 1otj s LEU 127 CO 0.03 0.21 -0.21 0.26 0.02 0.00 0.00 176.35 176.65 1otj s TRP 128 N -1.06 1.87 -0.03 0.29 0.51 -0.69 -0.21 118.94 119.62 1otj s TRP 128 Ca 0.17 -0.37 0.05 0.00 -2.12 0.00 0.00 56.10 53.83 1otj s TRP 128 Cb -0.11 -1.15 -0.01 0.00 -0.81 0.00 0.00 33.47 31.39 1otj s TRP 128 CO 0.08 0.05 -0.17 -0.08 -0.51 0.00 0.00 176.95 176.32 1otj s THR 129 N -0.68 1.40 -0.31 2.01 -1.32 0.14 -1.89 115.64 114.99 1otj s THR 129 Ca 0.08 -0.73 -0.24 0.00 -1.21 0.00 0.00 61.69 59.59 1otj s THR 129 Cb -0.09 -1.18 0.00 0.00 -1.51 0.00 0.00 72.50 69.72 1otj s THR 129 CO 0.01 0.40 0.83 -0.55 -2.21 0.00 0.00 174.62 173.09 1otj s SER 130 N -0.17 6.69 0.52 8.08 0.15 0.68 -2.08 113.70 127.57 1otj s SER 130 Ca 0.01 0.70 0.30 0.00 0.70 0.00 0.00 55.95 57.66 1otj s SER 130 Cb -0.09 -2.42 1.31 0.00 -1.71 0.00 0.00 66.02 63.10 1otj s SER 130 CO 0.01 -0.65 1.97 1.23 1.20 0.00 0.00 173.24 177.00 1otj h GLY 131 N 9.55 0.00 0.40 9.45 0.00 -0.75 -0.42 103.07 121.30 1otj h GLY 131 Ca -0.24 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1otj h GLY 131 CO 0.90 0.00 -0.05 -2.22 0.00 0.00 0.00 176.54 175.18 1otj h ILE 132 N 0.00 1.12 -0.75 2.60 2.04 -1.80 -0.54 117.51 120.18 1otj h ILE 132 Ca -0.00 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 1otj h ILE 132 Cb 0.52 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 1otj h ILE 132 CO 0.01 0.28 0.42 0.00 0.00 0.00 0.00 178.15 178.86 1otj h ALA 133 N 0.02 1.32 -0.60 1.87 0.00 -1.85 -0.47 119.26 119.55 1otj h ALA 133 Ca -0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1otj h ALA 133 Cb 0.56 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1otj h ALA 133 CO 0.02 0.56 0.15 0.00 0.00 0.00 0.00 179.25 179.98 1otj h ALA 134 N 1.42 0.79 -0.41 0.00 0.00 -1.08 -1.43 119.26 118.54 1otj h ALA 134 Ca 0.27 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1otj h ALA 134 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1otj h ALA 134 CO -0.04 0.50 0.04 -0.92 0.00 0.00 0.00 179.25 178.83 1otj h TYR 135 N 0.87 0.75 0.00 0.00 5.03 -0.60 -2.68 116.97 120.35 1otj h TYR 135 Ca 0.19 -0.12 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 1otj h TYR 135 Cb 0.35 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.43 1otj h TYR 135 CO 0.03 0.74 -0.03 0.93 -1.32 0.00 0.00 178.16 178.50 1otj h GLU 136 N 0.54 0.00 0.00 1.82 4.39 -0.82 -0.80 114.58 119.71 1otj h GLU 136 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1otj h GLU 136 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1otj h GLU 136 CO 0.01 0.03 0.00 0.00 -1.16 0.00 0.00 179.01 177.90 1otj n ALA 137 N -2.50 2.34 -1.91 3.43 0.00 -0.56 -4.81 120.51 116.50 1otj n ALA 137 Ca -0.03 -0.12 -0.38 0.00 0.00 0.00 0.00 53.44 52.91 1otj n ALA 137 Cb 0.12 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.06 1otj n ALA 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1otj s LEU 138 N -2.68 4.51 0.80 0.00 1.43 -0.31 -5.04 118.68 117.39 1otj s LEU 138 Ca 0.23 1.71 -0.10 0.00 -1.03 0.00 0.00 54.13 54.93 1otj s LEU 138 Cb 0.18 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.92 1otj s LEU 138 CO 0.44 0.11 1.10 -0.94 0.23 0.00 0.00 176.35 177.29 1otj s SER 139 N -1.34 4.19 0.20 2.29 1.04 -1.26 -4.74 113.70 114.07 1otj s SER 139 Ca 0.41 1.86 -0.11 0.00 0.48 0.00 0.00 55.95 58.59 1otj s SER 139 Cb -0.22 -2.51 0.21 0.00 0.10 0.00 0.00 66.02 63.61 1otj s SER 139 CO 0.26 -2.24 1.77 0.58 0.98 0.00 0.00 173.24 174.58 1otj h VAL 140 N -1.27 0.87 -0.91 5.02 2.07 -1.96 -0.74 116.25 119.32 1otj h VAL 140 Ca -0.44 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 67.03 1otj h VAL 140 Cb 1.24 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 1otj h VAL 140 CO 0.50 0.09 0.59 -0.65 0.02 0.00 0.00 177.57 178.11 1otj h PRO 141 N 0.47 0.85 -0.01 1.57 0.11 -1.99 -0.02 132.00 132.98 1otj h PRO 141 Ca 0.27 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.15 1otj h PRO 141 Cb 0.26 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 1otj h PRO 141 CO -0.23 0.56 -0.80 0.74 -0.21 0.00 0.00 178.00 178.06 1otj h PHE 142 N 0.88 0.28 -0.35 0.65 -1.00 -1.66 -1.53 116.94 114.21 1otj h PHE 142 Ca 0.44 -0.14 -0.06 0.00 2.81 0.00 0.00 57.97 61.01 1otj h PHE 142 Cb 0.47 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 1otj h PHE 142 CO -0.00 0.92 -0.03 0.00 -1.61 0.00 0.00 178.31 177.58 1otj h ARG 143 N 0.12 0.64 -0.71 1.51 3.08 -0.14 -1.19 114.38 117.70 1otj h ARG 143 Ca -0.03 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 1otj h ARG 143 Cb 1.40 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 1otj h ARG 143 CO 0.12 0.77 0.29 1.96 -1.07 0.00 0.00 179.97 182.05 1otj h GLN 144 N 0.44 1.04 0.07 0.04 4.20 -1.03 0.11 115.11 119.98 1otj h GLN 144 Ca 0.10 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1otj h GLN 144 Cb 0.51 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1otj h GLN 144 CO 0.02 0.84 -0.03 1.25 -0.67 0.00 0.00 178.83 180.24 1otj h LEU 145 N 1.02 -0.08 -0.51 1.46 7.12 -1.04 -3.29 115.31 120.00 1otj h LEU 145 Ca 0.24 -0.22 -0.17 0.00 0.13 0.00 0.00 57.88 57.86 1otj h LEU 145 Cb 0.18 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.32 1otj h LEU 145 CO -0.02 0.18 -0.71 -0.07 -0.13 0.00 0.00 178.44 177.69 1otj h LEU 146 N -0.34 0.27 -9.49 2.25 3.38 -1.08 -3.41 115.31 106.89 1otj h LEU 146 Ca -0.01 -0.18 -0.53 0.00 0.09 0.00 0.00 57.88 57.25 1otj h LEU 146 Cb 0.30 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 40.99 1otj h LEU 146 CO 0.02 0.89 1.02 -0.44 0.09 0.00 0.00 178.44 180.01 1otj s SER 147 N -6.91 6.55 0.00 -0.43 0.01 0.01 -1.60 113.70 111.33 1otj s SER 147 Ca -0.04 2.58 0.00 0.00 1.31 0.00 0.00 55.95 59.81 1otj s SER 147 Cb 0.11 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1otj s SER 147 CO 0.81 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1otj n GLY 148 N 4.03 3.43 3.80 3.44 0.00 -1.26 -4.94 105.19 113.70 1otj n GLY 148 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1otj n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1otj s LEU 149 N 0.00 3.53 0.08 0.99 1.43 -0.63 -4.92 118.68 119.16 1otj s LEU 149 Ca 0.00 1.83 0.09 0.00 -1.03 0.00 0.00 54.13 55.01 1otj s LEU 149 Cb 0.00 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 1otj s LEU 149 CO 0.00 -1.13 -0.23 -0.13 0.23 0.00 0.00 176.35 175.09 1otj s ARG 150 N -4.01 1.37 0.08 1.70 0.52 -1.26 -0.93 118.95 116.42 1otj s ARG 150 Ca 0.64 -1.12 0.06 0.00 -0.52 0.00 0.00 55.73 54.79 1otj s ARG 150 Cb -0.16 -1.63 -0.03 0.00 0.52 0.00 0.00 34.95 33.65 1otj s ARG 150 CO 0.36 0.40 -0.17 0.00 0.02 0.00 0.00 175.30 175.91 1otj s ALA 151 N -0.97 1.41 0.08 2.13 0.00 -0.04 -1.50 121.76 122.86 1otj s ALA 151 Ca 0.09 -1.07 -0.22 0.00 0.00 0.00 0.00 51.96 50.77 1otj s ALA 151 Cb -0.10 -0.17 -0.07 0.00 0.00 0.00 0.00 23.12 22.79 1otj s ALA 151 CO 0.03 0.25 0.65 -2.00 0.00 0.00 0.00 175.76 174.70 1otj s GLU 152 N -1.71 4.36 -0.08 0.00 2.12 0.86 -1.34 118.70 122.91 1otj s GLU 152 Ca 0.02 0.89 0.04 0.00 0.36 0.00 0.00 54.97 56.28 1otj s GLU 152 Cb -0.10 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 31.00 1otj s GLU 152 CO 0.03 0.52 -0.22 -1.01 -0.54 0.00 0.00 175.26 174.04 1otj s HIS 153 N -0.79 2.56 -0.10 5.30 3.76 0.66 -1.08 115.29 125.61 1otj s HIS 153 Ca 0.32 -0.78 -0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1otj s HIS 153 Cb -0.20 -1.68 0.02 0.00 1.11 0.00 0.00 32.58 31.83 1otj s HIS 153 CO 0.21 -0.26 -0.06 0.34 -0.85 0.00 0.00 174.74 174.13 1otj s ASP 154 N 0.05 1.98 0.39 1.40 -1.08 0.58 -1.98 116.67 118.01 1otj s ASP 154 Ca -0.09 -0.24 0.17 0.00 -0.52 0.00 0.00 52.55 51.86 1otj s ASP 154 Cb -0.15 -0.73 1.05 0.00 -1.46 0.00 0.00 42.92 41.63 1otj s ASP 154 CO 0.06 -0.13 1.78 0.15 0.52 0.00 0.00 175.17 177.55 1otj h PHE 155 N 8.14 0.70 0.00 -5.34 3.57 -1.86 -1.08 116.94 121.07 1otj h PHE 155 Ca -0.28 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 1otj h PHE 155 Cb 1.13 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 1otj h PHE 155 CO 0.48 0.09 -0.07 0.00 -2.23 0.00 0.00 178.31 176.58 1otj h ARG 156 N 0.44 0.00 -0.86 1.11 3.08 -1.89 -2.01 114.38 114.25 1otj h ARG 156 Ca 0.58 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.65 1otj h ARG 156 Cb 1.39 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.40 1otj h ARG 156 CO -0.30 0.07 0.57 -0.22 -1.07 0.00 0.00 179.97 179.02 1otj h LYS 157 N 0.00 1.11 0.00 0.04 3.64 -1.45 -2.69 116.57 117.22 1otj h LYS 157 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1otj h LYS 157 Cb 0.43 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1otj h LYS 157 CO 0.01 0.73 -1.18 0.43 -2.27 0.00 0.00 179.45 177.17 1otj n SER 158 N -4.50 0.74 -3.45 4.20 7.64 -1.16 -4.56 113.62 112.52 1otj n SER 158 Ca 0.10 -0.69 -0.27 0.00 1.01 0.00 0.00 58.87 59.02 1otj n SER 158 Cb 0.04 1.15 -0.09 0.00 -1.01 0.00 0.00 64.21 64.30 1otj n SER 158 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1otj n PHE 159 N -1.70 2.73 -2.11 1.43 3.01 -0.77 -5.08 117.46 114.97 1otj n PHE 159 Ca 0.02 -4.05 -0.41 0.00 1.01 0.00 0.00 57.45 54.03 1otj n PHE 159 Cb 0.39 -0.50 -0.02 0.00 -0.01 0.00 0.00 39.48 39.34 1otj n PHE 159 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1otj s PRO 160 N -2.01 4.35 0.32 -1.08 0.02 -1.04 -4.40 135.00 131.16 1otj s PRO 160 Ca 0.37 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.63 1otj s PRO 160 Cb 0.12 -3.08 0.61 0.00 0.02 0.00 0.00 34.50 32.17 1otj s PRO 160 CO -0.06 -0.20 1.91 1.49 -0.33 0.00 0.00 177.00 179.80 1otj h GLU 161 N 3.51 0.91 0.00 5.54 4.81 -1.96 -1.86 114.58 125.52 1otj h GLU 161 Ca -0.49 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1otj h GLU 161 Cb 1.23 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1otj h GLU 161 CO 0.66 0.60 -0.00 0.10 -0.73 0.00 0.00 179.01 179.64 1otj h TYR 162 N 0.93 0.00 -0.00 0.92 -0.00 -2.00 0.41 116.97 117.23 1otj h TYR 162 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.12 1otj h TYR 162 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.04 1otj h TYR 162 CO -0.00 0.00 -0.19 1.63 -0.00 0.00 0.00 178.16 179.60 1otj n LYS 163 N -3.10 0.06 -2.81 0.10 5.02 -0.70 -4.18 118.16 112.55 1otj n LYS 163 Ca -0.03 -0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.00 1otj n LYS 163 Cb 0.08 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.57 1otj n LYS 163 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1otj n TYR 164 N -1.45 3.09 -0.93 2.13 4.02 0.13 -4.71 117.16 119.44 1otj n TYR 164 Ca 0.07 -3.61 0.02 0.00 -0.01 0.00 0.00 57.90 54.37 1otj n TYR 164 Cb 0.33 -0.35 0.03 0.00 -0.02 0.00 0.00 39.34 39.33 1otj n TYR 164 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1otj n ARG 165 N -0.23 1.16 0.22 -0.72 1.74 -1.25 -2.98 116.66 114.61 1otj n ARG 165 Ca 0.31 -1.36 -0.09 0.00 -0.77 0.00 0.00 57.85 55.94 1otj n ARG 165 Cb 0.54 -0.87 -0.04 0.00 -1.02 0.00 0.00 32.46 31.07 1otj n ARG 165 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1otj h LYS 166 N 0.00 -0.55 -6.28 5.56 1.57 -1.90 -3.44 116.57 111.53 1otj h LYS 166 Ca 0.00 0.04 -0.59 0.00 -1.87 0.00 0.00 60.65 58.23 1otj h LYS 166 Cb 0.94 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 33.28 1otj h LYS 166 CO 0.00 -0.37 -0.63 0.95 -0.57 0.00 0.00 179.45 178.84 1otj s THR 167 N -4.22 3.92 0.39 -0.16 -4.23 -1.26 -5.01 115.64 105.07 1otj s THR 167 Ca -0.08 -1.39 0.16 0.00 -1.18 0.00 0.00 61.69 59.19 1otj s THR 167 Cb 0.01 -3.00 0.15 0.00 1.34 0.00 0.00 72.50 71.00 1otj s THR 167 CO 0.25 -0.15 1.91 -0.08 -0.54 0.00 0.00 174.62 176.01 1otj h GLU 168 N 2.48 0.00 0.19 3.99 4.57 -1.94 -1.63 114.58 122.23 1otj h GLU 168 Ca -0.47 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 1otj h GLU 168 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1otj h GLU 168 CO 0.60 0.28 -0.09 1.49 -1.18 0.00 0.00 179.01 180.10 1otj h GLU 169 N 0.00 -0.24 -0.94 1.92 4.81 -1.96 0.68 114.58 118.84 1otj h GLU 169 Ca -0.00 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1otj h GLU 169 Cb 0.52 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 1otj h GLU 169 CO 0.04 0.02 0.60 1.49 -0.73 0.00 0.00 179.01 180.43 1otj h GLU 170 N -0.49 1.07 -0.57 1.92 4.81 -1.83 0.28 114.58 119.77 1otj h GLU 170 Ca -0.03 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1otj h GLU 170 Cb 0.37 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1otj h GLU 170 CO 0.04 0.71 -0.06 1.25 -0.73 0.00 0.00 179.01 180.21 1otj h HIS 171 N 1.10 1.16 -0.64 0.92 2.76 -1.08 -1.87 115.15 117.50 1otj h HIS 171 Ca 0.40 -0.23 -0.07 0.00 -2.20 0.00 0.00 60.37 58.28 1otj h HIS 171 Cb 0.14 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 1otj h HIS 171 CO -0.01 1.05 0.13 0.37 -1.30 0.00 0.00 177.93 178.16 1otj h GLN 172 N 0.93 1.04 -0.94 5.26 5.75 -0.12 -1.14 115.11 125.90 1otj h GLN 172 Ca 0.15 -0.27 0.04 0.00 -0.15 0.00 0.00 58.65 58.43 1otj h GLN 172 Cb 0.63 -0.13 -0.06 0.00 1.07 0.00 0.00 27.48 29.00 1otj h GLN 172 CO 0.04 0.96 0.61 -0.09 -2.65 0.00 0.00 178.83 177.70 1otj h ARG 173 N 0.96 1.13 -0.44 1.69 2.43 -0.68 -1.63 114.38 117.83 1otj h ARG 173 Ca 0.20 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1otj h ARG 173 Cb 0.40 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1otj h ARG 173 CO 0.01 0.75 0.02 2.35 -1.51 0.00 0.00 179.97 181.59 1otj h TRP 174 N 1.16 0.83 -0.56 2.20 7.01 -0.67 -1.94 115.95 123.97 1otj h TRP 174 Ca 0.38 -0.13 0.02 0.00 2.11 0.00 0.00 58.89 61.26 1otj h TRP 174 Cb 0.04 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.85 1otj h TRP 174 CO -0.00 0.80 0.35 0.00 -2.79 0.00 0.00 178.44 176.81 1otj h ARG 175 N 0.61 0.69 -0.32 2.65 3.08 -0.38 -1.06 114.38 119.64 1otj h ARG 175 Ca 0.13 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 1otj h ARG 175 Cb 0.46 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1otj h ARG 175 CO 0.02 0.46 -0.22 0.93 -1.07 0.00 0.00 179.97 180.09 1otj h GLU 176 N 0.71 0.62 -0.41 0.04 5.08 -1.27 -2.14 114.58 117.21 1otj h GLU 176 Ca 0.21 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1otj h GLU 176 Cb -0.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1otj h GLU 176 CO -0.07 0.79 0.11 0.00 -1.00 0.00 0.00 179.01 178.84 1otj h ALA 177 N 1.22 0.54 -0.22 3.43 0.00 -0.81 -2.34 119.26 121.08 1otj h ALA 177 Ca 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1otj h ALA 177 Cb 0.67 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1otj h ALA 177 CO 0.05 0.20 0.02 0.28 0.00 0.00 0.00 179.25 179.81 1otj h VAL 178 N 0.52 1.24 -0.82 0.00 2.07 -1.10 -1.41 116.25 116.75 1otj h VAL 178 Ca 0.13 -0.80 0.10 0.00 0.82 0.00 0.00 66.70 66.95 1otj h VAL 178 Cb 0.29 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 1otj h VAL 178 CO -0.00 0.25 0.46 0.00 0.02 0.00 0.00 177.57 178.29 1otj h ALA 179 N 0.83 1.17 0.00 1.67 0.00 -1.35 -1.47 119.26 120.10 1otj h ALA 179 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1otj h ALA 179 Cb 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1otj h ALA 179 CO 0.01 0.06 -0.12 1.63 0.00 0.00 0.00 179.25 180.83 1otj n LYS 180 N -4.77 0.03 -3.33 0.00 5.02 -0.88 -4.40 118.16 109.83 1otj n LYS 180 Ca 0.14 0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 56.19 1otj n LYS 180 Cb 0.30 -1.53 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 1otj n LYS 180 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1otj n ASN 181 N -1.58 1.74 -4.77 4.39 3.02 -0.55 -5.09 115.26 112.42 1otj n ASN 181 Ca 0.06 -3.01 -0.31 0.00 -0.03 0.00 0.00 54.58 51.30 1otj n ASN 181 Cb 0.35 -0.65 0.08 0.00 -0.61 0.00 0.00 39.78 38.95 1otj n ASN 181 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1otj s PRO 182 N -1.66 2.37 0.49 3.52 0.02 -1.23 -4.45 135.00 134.06 1otj s PRO 182 Ca 0.36 1.18 -0.24 0.00 0.02 0.00 0.00 61.00 62.32 1otj s PRO 182 Cb 0.14 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 32.68 1otj s PRO 182 CO -0.08 -1.56 1.41 -2.14 -0.33 0.00 0.00 177.00 174.30 1otj s PRO 183 N -4.82 3.48 0.17 5.54 0.02 -1.26 -4.85 135.00 133.28 1otj s PRO 183 Ca 0.62 2.36 -0.05 0.00 0.02 0.00 0.00 61.00 63.94 1otj s PRO 183 Cb -0.17 -2.51 -0.02 0.00 0.02 0.00 0.00 34.50 31.81 1otj s PRO 183 CO 0.54 -0.96 0.20 -0.48 -0.33 0.00 0.00 177.00 175.98 1otj s LEU 184 N -3.02 1.18 0.08 -5.54 2.34 -0.84 -4.96 118.68 107.93 1otj s LEU 184 Ca 0.65 -1.09 0.00 0.00 0.06 0.00 0.00 54.13 53.76 1otj s LEU 184 Cb -0.43 0.82 -0.04 0.00 -0.56 0.00 0.00 46.19 45.98 1otj s LEU 184 CO 0.53 -0.86 0.23 -0.76 -1.06 0.00 0.00 176.35 174.43 1otj s LEU 185 N -3.04 4.35 0.01 1.48 1.43 -1.26 -0.24 118.68 121.42 1otj s LEU 185 Ca 0.24 0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 53.49 1otj s LEU 185 Cb 0.05 -2.95 0.01 0.00 0.03 0.00 0.00 46.19 43.32 1otj s LEU 185 CO 0.04 0.14 0.21 -1.00 0.23 0.00 0.00 176.35 175.97 1otj s HIS 186 N -1.56 -0.02 0.45 0.29 3.76 -0.45 -4.96 115.29 112.81 1otj s HIS 186 Ca 0.35 -0.07 -0.25 0.00 -0.15 0.00 0.00 55.06 54.95 1otj s HIS 186 Cb -0.13 0.00 -0.08 0.00 1.11 0.00 0.00 32.58 33.49 1otj s HIS 186 CO 0.28 -0.37 1.35 -2.14 -0.85 0.00 0.00 174.74 173.01 1otj s PRO 187 N -1.81 3.68 0.18 8.40 0.02 -1.26 -0.86 135.00 143.34 1otj s PRO 187 Ca -0.11 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.14 1otj s PRO 187 Cb -0.04 -2.59 0.06 0.00 0.02 0.00 0.00 34.50 31.94 1otj s PRO 187 CO 0.00 -0.76 1.43 0.28 -0.33 0.00 0.00 177.00 177.63 1otj h VAL 188 N 2.15 1.39 -3.35 3.83 2.07 -1.28 -3.41 116.25 117.66 1otj h VAL 188 Ca -0.50 -2.17 -0.67 0.00 0.82 0.00 0.00 66.70 64.18 1otj h VAL 188 Cb 1.26 2.14 -0.31 0.00 -1.52 0.00 0.00 31.29 32.86 1otj h VAL 188 CO 0.61 0.65 -0.77 -0.69 0.02 0.00 0.00 177.57 177.39 1otj s VAL 189 N -3.59 2.87 -0.11 2.57 1.01 -1.26 0.69 120.40 122.58 1otj s VAL 189 Ca -0.05 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1otj s VAL 189 Cb 0.10 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1otj s VAL 189 CO 0.84 0.38 -0.01 -0.60 0.00 0.00 0.00 175.10 175.70 1otj s ARG 190 N 1.38 3.25 -0.26 2.72 3.52 0.13 -4.45 118.95 125.24 1otj s ARG 190 Ca 0.04 -0.45 -0.19 0.00 -0.13 0.00 0.00 55.73 54.99 1otj s ARG 190 Cb -0.15 -2.84 -0.02 0.00 -1.56 0.00 0.00 34.95 30.38 1otj s ARG 190 CO -0.06 0.52 0.59 0.99 -0.81 0.00 0.00 175.30 176.53 1otj s THR 191 N -0.39 5.01 0.13 4.11 2.01 -0.31 -0.54 115.64 125.65 1otj s THR 191 Ca 0.07 1.04 -0.33 0.00 0.31 0.00 0.00 61.69 62.79 1otj s THR 191 Cb -0.12 -3.90 -0.12 0.00 0.01 0.00 0.00 72.50 68.37 1otj s THR 191 CO 0.02 0.04 1.73 1.57 -0.69 0.00 0.00 174.62 177.29 1otj n HIS 192 N 5.66 2.49 0.32 4.92 -0.00 -0.07 -4.65 115.22 123.87 1otj n HIS 192 Ca -0.02 0.06 0.19 0.00 0.46 0.00 0.00 57.72 58.41 1otj n HIS 192 Cb 0.49 -2.64 1.08 0.00 -0.12 0.00 0.00 29.99 28.79 1otj n HIS 192 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1otj h PRO 193 N 7.33 0.00 0.00 1.57 0.11 -1.94 -1.07 132.00 138.00 1otj h PRO 193 Ca -0.45 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 1otj h PRO 193 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1otj h PRO 193 CO 0.93 0.00 -0.95 0.28 -0.21 0.00 0.00 178.00 178.04 1otj n VAL 194 N -3.41 1.31 0.16 3.15 0.31 -1.26 -4.74 118.33 113.85 1otj n VAL 194 Ca -0.03 0.13 0.04 0.00 -0.01 0.00 0.00 64.34 64.47 1otj n VAL 194 Cb 0.09 -2.00 0.14 0.00 -0.91 0.00 0.00 33.84 31.16 1otj n VAL 194 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1otj h SER 195 N -0.64 0.00 0.00 4.52 4.64 -1.97 -3.47 113.55 116.62 1otj h SER 195 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1otj h SER 195 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1otj h SER 195 CO -0.06 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 1otj n GLY 196 N 0.91 1.76 3.75 -0.77 0.00 -0.40 -4.99 105.19 105.46 1otj n GLY 196 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1otj n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1otj s LYS 197 N -0.16 4.39 0.25 1.61 1.02 -1.26 -4.45 119.74 121.14 1otj s LYS 197 Ca 0.00 2.12 -0.28 0.00 0.02 0.00 0.00 55.97 57.83 1otj s LYS 197 Cb 0.00 -3.13 -0.09 0.00 -0.52 0.00 0.00 37.83 34.09 1otj s LYS 197 CO 0.00 -0.19 0.91 -0.65 -0.92 0.00 0.00 175.35 174.50 1otj s GLN 198 N -1.04 4.73 0.00 1.68 -1.52 -1.26 -0.90 119.66 121.36 1otj s GLN 198 Ca 0.52 1.38 -0.06 0.00 -1.95 0.00 0.00 55.36 55.25 1otj s GLN 198 Cb -0.38 -3.16 -0.00 0.00 -0.22 0.00 0.00 33.01 29.25 1otj s GLN 198 CO 0.46 0.47 0.11 0.00 -0.25 0.00 0.00 175.29 176.07 1otj s ALA 199 N -1.28 -0.25 0.26 6.09 0.00 0.30 -4.52 121.76 122.36 1otj s ALA 199 Ca 0.42 -0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 1otj s ALA 199 Cb -0.24 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 1otj s ALA 199 CO 0.29 -0.18 1.27 -0.51 0.00 0.00 0.00 175.76 176.62 1otj s LEU 200 N -1.25 4.45 -0.39 0.00 1.43 -0.35 0.18 118.68 122.75 1otj s LEU 200 Ca -0.13 2.47 0.12 0.00 -1.03 0.00 0.00 54.13 55.56 1otj s LEU 200 Cb -0.07 -3.63 0.42 0.00 0.03 0.00 0.00 46.19 42.94 1otj s LEU 200 CO 0.01 -0.45 0.97 0.33 0.23 0.00 0.00 176.35 177.43 1otj n PHE 201 N 1.72 1.96 -4.29 0.29 7.35 0.22 -4.63 117.46 120.07 1otj n PHE 201 Ca 0.03 -3.15 -0.21 0.00 -0.76 0.00 0.00 57.45 53.37 1otj n PHE 201 Cb 0.43 -0.31 -0.11 0.00 0.35 0.00 0.00 39.48 39.84 1otj n PHE 201 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1otj s VAL 202 N -3.87 1.63 -0.13 -2.13 -7.23 -1.26 -4.67 120.40 102.73 1otj s VAL 202 Ca 0.37 -1.81 -0.10 0.00 -1.81 0.00 0.00 61.98 58.63 1otj s VAL 202 Cb 0.41 -1.70 0.04 0.00 0.56 0.00 0.00 36.38 35.68 1otj s VAL 202 CO -0.06 -0.33 0.33 0.54 -0.31 0.00 0.00 175.10 175.26 1otj s ASN 203 N -2.52 -0.36 0.59 4.85 2.20 -1.26 -4.95 114.94 113.49 1otj s ASN 203 Ca 0.12 0.67 0.30 0.00 -0.94 0.00 0.00 52.86 53.01 1otj s ASN 203 Cb -0.06 0.64 1.80 0.00 -2.00 0.00 0.00 41.25 41.64 1otj s ASN 203 CO 0.05 -0.13 2.23 -0.08 -2.94 0.00 0.00 177.10 176.22 1otj h GLU 204 N 6.09 0.00 -0.75 3.55 4.81 -1.80 0.18 114.58 126.67 1otj h GLU 204 Ca -0.30 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1otj h GLU 204 Cb 1.18 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1otj h GLU 204 CO 0.31 0.00 0.48 0.78 -0.73 0.00 0.00 179.01 179.85 1otj h GLY 205 N 0.00 1.07 0.00 1.92 0.00 -1.30 -3.37 103.07 101.39 1otj h GLY 205 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1otj h GLY 205 CO -0.00 0.34 -0.26 0.69 0.00 0.00 0.00 176.54 177.31 1otj n PHE 206 N -4.60 0.00 -2.61 5.60 3.72 -0.99 -3.10 117.46 115.48 1otj n PHE 206 Ca 0.08 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.05 1otj n PHE 206 Cb 0.06 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.58 1otj n PHE 206 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1otj s THR 207 N -0.91 4.56 -0.18 4.37 2.01 0.61 -0.31 115.64 125.78 1otj s THR 207 Ca 0.00 1.86 -0.01 0.00 0.31 0.00 0.00 61.69 63.85 1otj s THR 207 Cb 0.00 -4.27 -0.22 0.00 0.01 0.00 0.00 72.50 68.02 1otj s THR 207 CO 0.00 -0.24 0.10 0.35 -0.69 0.00 0.00 174.62 174.13 1otj n THR 208 N 5.47 1.63 -3.57 -0.82 -2.24 -0.24 -4.77 114.28 109.74 1otj n THR 208 Ca 0.12 -0.63 -0.08 0.00 -2.27 0.00 0.00 64.05 61.20 1otj n THR 208 Cb 0.46 -1.50 -0.04 0.00 -2.10 0.00 0.00 70.33 67.16 1otj n THR 208 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1otj s ARG 209 N -2.54 0.51 -0.19 -0.78 1.70 -1.25 -5.01 118.95 111.41 1otj s ARG 209 Ca -0.27 -0.04 -0.19 0.00 -0.47 0.00 0.00 55.73 54.77 1otj s ARG 209 Cb 0.08 0.24 -0.03 0.00 -0.57 0.00 0.00 34.95 34.66 1otj s ARG 209 CO 0.70 -0.19 0.54 0.42 -1.08 0.00 0.00 175.30 175.68 1otj s ILE 210 N -1.89 5.10 -0.70 4.99 1.01 -1.26 -0.09 121.20 128.35 1otj s ILE 210 Ca 0.04 1.01 0.25 0.00 0.00 0.00 0.00 60.65 61.94 1otj s ILE 210 Cb -0.01 -3.86 0.08 0.00 0.01 0.00 0.00 42.46 38.68 1otj s ILE 210 CO -0.04 0.19 1.41 1.33 0.00 0.00 0.00 174.94 177.83 1otj n VAL 211 N 4.44 0.34 1.19 2.92 0.24 -0.57 -4.10 118.33 122.79 1otj n VAL 211 Ca -0.04 -0.24 0.10 0.00 -2.04 0.00 0.00 64.34 62.13 1otj n VAL 211 Cb 0.50 -0.16 0.36 0.00 -1.47 0.00 0.00 33.84 33.08 1otj n VAL 211 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1otj n ASP 212 N -2.05 1.74 -3.40 -1.34 8.00 -1.26 -4.87 116.55 113.37 1otj n ASP 212 Ca 0.04 -1.72 -0.20 0.00 0.71 0.00 0.00 54.79 53.62 1otj n ASP 212 Cb 0.42 -0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 1otj n ASP 212 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1otj n VAL 213 N 0.37 0.00 -1.98 2.53 0.24 -1.26 -5.06 118.33 113.18 1otj n VAL 213 Ca 0.16 -1.76 -0.28 0.00 -2.04 0.00 0.00 64.34 60.42 1otj n VAL 213 Cb 0.34 0.57 0.08 0.00 -1.47 0.00 0.00 33.84 33.36 1otj n VAL 213 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1otj s SER 214 N -2.90 4.71 0.21 -1.34 1.04 -1.26 -4.79 113.70 109.37 1otj s SER 214 Ca 0.12 0.75 -0.10 0.00 0.48 0.00 0.00 55.95 57.20 1otj s SER 214 Cb 0.01 -1.32 0.19 0.00 0.10 0.00 0.00 66.02 65.00 1otj s SER 214 CO 0.08 -1.75 1.86 1.05 0.98 0.00 0.00 173.24 175.46 1otj h GLU 215 N -0.89 0.89 -0.04 4.02 9.09 -1.98 0.42 114.58 126.09 1otj h GLU 215 Ca -0.46 -0.05 -0.18 0.00 0.05 0.00 0.00 59.36 58.72 1otj h GLU 215 Cb 1.32 -0.20 -0.01 0.00 -1.65 0.00 0.00 28.75 28.21 1otj h GLU 215 CO 0.64 0.59 -0.76 0.87 0.05 0.00 0.00 179.01 180.40 1otj h LYS 216 N 0.91 0.25 -0.43 1.06 1.57 -1.99 -1.62 116.57 116.32 1otj h LYS 216 Ca 0.29 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1otj h LYS 216 Cb -0.00 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1otj h LYS 216 CO -0.10 0.89 -0.04 0.93 -0.57 0.00 0.00 179.45 180.56 1otj h GLU 217 N 0.16 0.79 -0.03 3.15 5.08 -1.79 -1.18 114.58 120.78 1otj h GLU 217 Ca -0.03 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1otj h GLU 217 Cb 1.33 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1otj h GLU 217 CO 0.12 0.88 -0.00 1.03 -1.00 0.00 0.00 179.01 180.04 1otj h SER 218 N 0.63 -0.01 -0.64 1.42 0.87 -0.05 -0.06 113.55 115.70 1otj h SER 218 Ca 0.12 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1otj h SER 218 Cb 0.55 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 1otj h SER 218 CO 0.03 -0.00 0.42 -0.33 -0.53 0.00 0.00 176.83 176.42 1otj h GLU 219 N 0.01 0.85 -0.26 2.24 5.08 -1.18 0.14 114.58 121.46 1otj h GLU 219 Ca 0.01 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1otj h GLU 219 Cb 0.02 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1otj h GLU 219 CO -0.02 0.56 -0.08 0.00 -1.00 0.00 0.00 179.01 178.47 1otj h ALA 220 N 1.60 0.36 -0.21 3.43 0.00 -0.66 -0.57 119.26 123.21 1otj h ALA 220 Ca 0.23 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1otj h ALA 220 Cb -0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1otj h ALA 220 CO -0.05 0.18 -0.01 -0.07 0.00 0.00 0.00 179.25 179.29 1otj h LEU 221 N 0.25 0.37 -1.05 0.00 3.38 -0.39 -1.84 115.31 116.03 1otj h LEU 221 Ca 0.06 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1otj h LEU 221 Cb 0.56 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1otj h LEU 221 CO 0.03 0.60 -0.13 -0.07 0.09 0.00 0.00 178.44 178.96 1otj h LEU 222 N 0.12 0.51 -0.47 1.67 3.38 -0.78 0.20 115.31 119.94 1otj h LEU 222 Ca 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1otj h LEU 222 Cb 0.42 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1otj h LEU 222 CO 0.01 0.67 0.22 0.77 0.09 0.00 0.00 178.44 180.20 1otj h SER 223 N 0.48 0.62 0.21 -0.43 4.64 -0.97 0.30 113.55 118.41 1otj h SER 223 Ca 0.09 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1otj h SER 223 Cb 0.52 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1otj h SER 223 CO 0.03 0.59 -0.10 0.15 -0.87 0.00 0.00 176.83 176.63 1otj h PHE 224 N 0.62 -0.26 -0.93 4.77 3.57 -0.83 -2.96 116.94 120.92 1otj h PHE 224 Ca 0.16 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1otj h PHE 224 Cb 0.14 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 1otj h PHE 224 CO -0.01 0.01 0.61 -0.07 -2.23 0.00 0.00 178.31 176.62 1otj h LEU 225 N -0.51 1.07 -1.88 0.59 3.38 -0.44 0.37 115.31 117.89 1otj h LEU 225 Ca -0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1otj h LEU 225 Cb 0.38 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1otj h LEU 225 CO 0.05 0.78 -0.10 -0.26 0.09 0.00 0.00 178.44 178.99 1otj h PHE 226 N 1.26 0.00 0.11 1.13 0.04 -0.42 -2.37 116.94 116.68 1otj h PHE 226 Ca 0.34 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.77 1otj h PHE 226 Cb -0.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 1otj h PHE 226 CO -0.01 0.10 -1.85 0.00 -0.60 0.00 0.00 178.31 175.95 1otj h ALA 227 N 1.90 0.39 -0.82 2.45 0.00 -1.15 -3.39 119.26 118.64 1otj h ALA 227 Ca -0.00 -1.35 0.15 0.00 0.00 0.00 0.00 54.91 53.71 1otj h ALA 227 Cb 0.37 0.70 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 1otj h ALA 227 CO 0.01 1.19 0.39 1.25 0.00 0.00 0.00 179.25 182.09 1otj h HIS 228 N -0.12 0.68 0.00 0.00 -0.00 -0.02 0.06 115.15 115.74 1otj h HIS 228 Ca -0.41 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 1otj h HIS 228 Cb 1.91 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 29.14 1otj h HIS 228 CO 0.08 0.13 0.00 0.44 -0.00 0.00 0.00 177.93 178.58 1otj n ILE 229 N -4.92 0.84 1.35 6.26 -6.64 -0.92 -2.60 119.36 112.74 1otj n ILE 229 Ca 0.16 0.21 0.12 0.00 -1.77 0.00 0.00 62.75 61.47 1otj n ILE 229 Cb 0.44 -0.94 0.44 0.00 -1.44 0.00 0.00 39.64 38.13 1otj n ILE 229 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 1otj n THR 230 N -1.45 0.13 -1.79 7.28 -2.24 0.01 -4.87 114.28 111.35 1otj n THR 230 Ca 0.05 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 1otj n THR 230 Cb 0.17 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 1otj n THR 230 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1otj s LYS 231 N -1.87 4.16 0.33 -0.78 2.20 -1.07 -4.87 119.74 117.84 1otj s LYS 231 Ca 0.34 2.51 0.12 0.00 -0.36 0.00 0.00 55.97 58.58 1otj s LYS 231 Cb 0.19 -3.45 0.94 0.00 -1.51 0.00 0.00 37.83 34.00 1otj s LYS 231 CO 0.29 -0.77 1.73 -1.35 -0.36 0.00 0.00 175.35 174.88 1otj h PRO 232 N 8.00 0.51 0.00 4.03 0.11 -1.93 -1.25 132.00 141.48 1otj h PRO 232 Ca -0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1otj h PRO 232 Cb 1.21 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1otj h PRO 232 CO 0.94 0.34 -0.01 0.93 -0.21 0.00 0.00 178.00 179.99 1otj h GLU 233 N 0.53 0.00 -0.20 1.05 3.07 -1.98 -1.45 114.58 115.60 1otj h GLU 233 Ca 0.65 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.51 1otj h GLU 233 Cb 1.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1otj h GLU 233 CO -0.46 0.01 0.00 1.19 -1.40 0.00 0.00 179.01 178.35 1otj n PHE 234 N -3.22 0.25 -4.64 4.33 3.72 -0.47 -4.80 117.46 112.62 1otj n PHE 234 Ca -0.02 -0.12 -0.29 0.00 -0.05 0.00 0.00 57.45 56.96 1otj n PHE 234 Cb 0.12 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.56 1otj n PHE 234 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1otj s GLN 235 N -1.75 2.00 -0.06 -1.08 -0.21 -0.55 -0.23 119.66 117.78 1otj s GLN 235 Ca 0.33 -2.17 -0.03 0.00 0.02 0.00 0.00 55.36 53.50 1otj s GLN 235 Cb 0.18 -1.54 0.03 0.00 1.00 0.00 0.00 33.01 32.68 1otj s GLN 235 CO 0.27 -0.15 0.14 0.54 -2.12 0.00 0.00 175.29 173.98 1otj s VAL 236 N -2.80 -0.03 -0.11 1.09 0.11 -0.79 -4.84 120.40 113.02 1otj s VAL 236 Ca 0.27 0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.45 1otj s VAL 236 Cb 0.08 -0.23 -0.02 0.00 -1.53 0.00 0.00 36.38 34.68 1otj s VAL 236 CO 0.14 0.05 -0.14 -0.60 -3.33 0.00 0.00 175.10 171.22 1otj s ARG 237 N 0.81 3.20 -0.15 1.54 3.52 -1.26 -1.70 118.95 124.90 1otj s ARG 237 Ca -0.06 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 1otj s ARG 237 Cb -0.08 -2.56 -0.01 0.00 -1.56 0.00 0.00 34.95 30.75 1otj s ARG 237 CO -0.04 0.29 -0.15 -0.46 -0.81 0.00 0.00 175.30 174.13 1otj s TRP 238 N 0.15 2.78 -0.33 5.12 -0.11 -0.21 -4.99 118.94 121.35 1otj s TRP 238 Ca -0.08 -0.92 -0.16 0.00 1.22 0.00 0.00 56.10 56.16 1otj s TRP 238 Cb -0.15 -1.87 -0.01 0.00 -1.50 0.00 0.00 33.47 29.93 1otj s TRP 238 CO 0.05 -0.40 0.42 0.50 -4.62 0.00 0.00 176.95 172.91 1otj s ARG 239 N 0.68 3.68 0.48 5.86 3.52 -1.26 -2.19 118.95 129.72 1otj s ARG 239 Ca -0.07 -0.22 -0.22 0.00 -0.13 0.00 0.00 55.73 55.09 1otj s ARG 239 Cb -0.16 -3.78 -0.07 0.00 -1.56 0.00 0.00 34.95 29.39 1otj s ARG 239 CO 0.02 -0.52 1.13 -1.58 -0.81 0.00 0.00 175.30 173.54 1otj s TRP 240 N 2.17 2.85 0.04 5.12 0.52 -1.26 -5.07 118.94 123.31 1otj s TRP 240 Ca 0.15 1.55 0.03 0.00 0.02 0.00 0.00 56.10 57.85 1otj s TRP 240 Cb -0.16 -3.30 -0.02 0.00 -1.15 0.00 0.00 33.47 28.84 1otj s TRP 240 CO 0.12 -1.39 -0.09 -0.65 0.02 0.00 0.00 176.95 174.96 1otj s GLN 241 N -2.92 0.60 0.31 4.98 -0.21 -1.26 -5.06 119.66 116.10 1otj s GLN 241 Ca 0.66 -0.74 -0.28 0.00 0.02 0.00 0.00 55.36 55.02 1otj s GLN 241 Cb -0.25 -0.45 -0.13 0.00 1.00 0.00 0.00 33.01 33.18 1otj s GLN 241 CO 0.30 0.09 1.16 -2.30 -2.12 0.00 0.00 175.29 172.43 1otj n PRO 242 N 1.59 1.74 -1.37 2.91 -0.02 -1.26 -1.93 135.00 136.66 1otj n PRO 242 Ca -0.21 0.61 -0.11 0.00 -2.02 0.00 0.00 63.50 61.77 1otj n PRO 242 Cb 0.55 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.89 1otj n PRO 242 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1otj n ASN 243 N 1.09 -4.24 -4.81 2.55 3.02 0.15 -4.50 115.26 108.51 1otj n ASN 243 Ca 0.08 0.25 -0.31 0.00 -0.03 0.00 0.00 54.58 54.56 1otj n ASN 243 Cb 0.34 -2.74 0.04 0.00 -0.61 0.00 0.00 39.78 36.81 1otj n ASN 243 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1otj s ASP 244 N -2.86 5.43 -0.03 6.41 1.01 -0.81 -0.90 116.67 124.92 1otj s ASP 244 Ca 0.00 1.68 0.02 0.00 0.71 0.00 0.00 52.55 54.96 1otj s ASP 244 Cb 0.00 -2.51 0.01 0.00 1.01 0.00 0.00 42.92 41.43 1otj s ASP 244 CO 0.00 -1.41 -0.07 -0.63 0.21 0.00 0.00 175.17 173.27 1otj s ILE 245 N -2.88 0.68 -0.07 0.77 -1.09 0.18 -1.67 121.20 117.12 1otj s ILE 245 Ca 0.60 -0.29 0.02 0.00 -2.23 0.00 0.00 60.65 58.75 1otj s ILE 245 Cb -0.15 -0.62 0.02 0.00 -1.58 0.00 0.00 42.46 40.13 1otj s ILE 245 CO 0.50 0.22 -0.11 0.00 -1.23 0.00 0.00 174.94 174.32 1otj s ALA 246 N 0.32 1.23 -0.08 9.38 0.00 0.44 -0.71 121.76 132.34 1otj s ALA 246 Ca -0.05 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1otj s ALA 246 Cb -0.09 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.44 1otj s ALA 246 CO 0.00 0.03 -0.13 0.42 0.00 0.00 0.00 175.76 176.09 1otj s ILE 247 N 0.83 1.22 0.05 0.00 1.01 -0.55 0.78 121.20 124.55 1otj s ILE 247 Ca -0.12 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 1otj s ILE 247 Cb -0.15 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 1otj s ILE 247 CO 0.02 0.38 -0.04 -1.66 0.00 0.00 0.00 174.94 173.64 1otj s TRP 248 N 0.80 0.51 -0.51 3.97 -2.14 -0.93 -0.23 118.94 120.41 1otj s TRP 248 Ca -0.12 -0.83 -0.24 0.00 2.66 0.00 0.00 56.10 57.57 1otj s TRP 248 Cb -0.15 -0.35 0.04 0.00 -3.10 0.00 0.00 33.47 29.90 1otj s TRP 248 CO 0.02 -0.26 0.89 0.34 -2.66 0.00 0.00 176.95 175.28 1otj s ASP 249 N -2.37 6.38 0.00 -2.66 -1.08 0.11 -2.57 116.67 114.48 1otj s ASP 249 Ca -0.01 -0.22 0.27 0.00 -0.52 0.00 0.00 52.55 52.07 1otj s ASP 249 Cb 0.01 -2.42 1.58 0.00 -1.46 0.00 0.00 42.92 40.62 1otj s ASP 249 CO -0.06 -1.11 1.97 -3.20 0.52 0.00 0.00 175.17 173.30 1otj n ASN 250 N 7.18 0.00 0.12 -0.34 5.15 0.14 -3.29 115.26 124.21 1otj n ASN 250 Ca 0.02 -0.70 0.12 0.00 -0.60 0.00 0.00 54.58 53.43 1otj n ASN 250 Cb 0.48 -0.06 0.18 0.00 -0.53 0.00 0.00 39.78 39.84 1otj n ASN 250 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1otj h ARG 251 N 0.00 0.00 0.00 1.20 3.08 -1.73 -3.38 114.38 113.54 1otj h ARG 251 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1otj h ARG 251 Cb 0.05 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.98 1otj h ARG 251 CO 0.00 0.00 -0.65 1.33 -1.07 0.00 0.00 179.97 179.58 1otj n VAL 252 N -2.55 0.10 -4.11 2.04 0.24 -1.21 -4.95 118.33 107.90 1otj n VAL 252 Ca 0.03 -0.45 -0.10 0.00 -2.04 0.00 0.00 64.34 61.78 1otj n VAL 252 Cb 0.49 0.62 -0.09 0.00 -1.47 0.00 0.00 33.84 33.39 1otj n VAL 252 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1otj s THR 253 N -0.16 0.05 0.06 3.34 -4.23 -1.22 -0.08 115.64 113.41 1otj s THR 253 Ca 0.12 -1.76 0.02 0.00 -1.18 0.00 0.00 61.69 58.89 1otj s THR 253 Cb 0.14 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 1otj s THR 253 CO -0.05 -0.24 -0.07 -1.10 -0.54 0.00 0.00 174.62 172.63 1otj s GLN 254 N -4.06 0.62 0.17 3.99 -0.21 -0.88 -4.57 119.66 114.72 1otj s GLN 254 Ca 0.27 -0.98 0.01 0.00 0.02 0.00 0.00 55.36 54.67 1otj s GLN 254 Cb 0.06 -0.18 -0.04 0.00 1.00 0.00 0.00 33.01 33.84 1otj s GLN 254 CO 0.05 0.00 0.04 -3.38 -2.12 0.00 0.00 175.29 169.88 1otj s HIS 255 N -2.38 1.16 -0.07 0.91 -3.43 0.55 -0.68 115.29 111.35 1otj s HIS 255 Ca -0.02 -1.13 -0.03 0.00 -0.80 0.00 0.00 55.06 53.09 1otj s HIS 255 Cb -0.03 -0.65 0.04 0.00 -1.43 0.00 0.00 32.58 30.50 1otj s HIS 255 CO -0.02 -0.34 0.16 -0.47 -2.00 0.00 0.00 174.74 172.06 1otj s TYR 256 N -3.81 -0.18 -0.26 0.38 6.14 0.71 -1.86 117.35 118.46 1otj s TYR 256 Ca 0.27 0.52 -0.05 0.00 0.64 0.00 0.00 57.07 58.44 1otj s TYR 256 Cb 0.07 -0.08 0.00 0.00 0.42 0.00 0.00 41.96 42.37 1otj s TYR 256 CO 0.05 -0.18 0.02 0.00 0.64 0.00 0.00 175.55 176.09 1otj s ALA 257 N 1.24 2.95 0.33 3.97 0.00 0.22 0.01 121.76 130.49 1otj s ALA 257 Ca -0.09 -1.35 -0.29 0.00 0.00 0.00 0.00 51.96 50.23 1otj s ALA 257 Cb -0.12 -1.95 -0.12 0.00 0.00 0.00 0.00 23.12 20.94 1otj s ALA 257 CO -0.06 -0.74 1.47 0.09 0.00 0.00 0.00 175.76 176.52 1otj n ASN 258 N 4.82 3.48 -3.80 0.00 3.02 -0.14 -2.64 115.26 119.99 1otj n ASN 258 Ca -0.16 1.19 -0.32 0.00 -0.03 0.00 0.00 54.58 55.26 1otj n ASN 258 Cb 0.49 -1.56 -0.07 0.00 -0.61 0.00 0.00 39.78 38.03 1otj n ASN 258 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1otj n ALA 259 N 1.10 4.05 -2.49 5.41 0.00 -1.26 -4.22 120.51 123.10 1otj n ALA 259 Ca 0.05 -4.69 0.01 0.00 0.00 0.00 0.00 53.44 48.82 1otj n ALA 259 Cb 0.37 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.48 1otj n ALA 259 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1otj n ASP 260 N 1.54 1.45 0.00 0.00 5.75 -1.26 -4.90 116.55 119.13 1otj n ASP 260 Ca 0.25 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 1otj n ASP 260 Cb 0.37 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1otj n ASP 260 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1otj n TYR 261 N -0.06 0.00 -1.30 2.11 0.18 -1.26 -4.71 117.16 112.12 1otj n TYR 261 Ca 0.10 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.51 1otj n TYR 261 Cb 0.99 0.00 0.06 0.00 -0.38 0.00 0.00 39.34 40.01 1otj n TYR 261 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1otj n LEU 262 N -1.26 0.34 0.00 -3.48 4.32 -1.26 -1.64 117.00 114.03 1otj n LEU 262 Ca 0.00 0.61 0.04 0.00 -0.02 0.00 0.00 56.01 56.64 1otj n LEU 262 Cb 0.18 -1.17 0.18 0.00 -1.62 0.00 0.00 43.42 40.99 1otj n LEU 262 CO 0.00 -3.29 0.57 -2.65 -1.22 0.00 0.00 177.39 170.80 1otj n PRO 263 N -0.34 0.08 -1.83 3.23 -0.02 -1.26 -5.08 135.00 129.77 1otj n PRO 263 Ca 0.10 0.26 -0.37 0.00 -2.02 0.00 0.00 63.50 61.47 1otj n PRO 263 Cb 0.49 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.53 1otj n PRO 263 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1otj s GLN 264 N -2.69 2.70 0.11 -0.52 -0.21 -0.65 -4.42 119.66 113.99 1otj s GLN 264 Ca 0.06 1.99 -0.06 0.00 0.02 0.00 0.00 55.36 57.37 1otj s GLN 264 Cb 0.05 -1.88 -0.06 0.00 1.00 0.00 0.00 33.01 32.13 1otj s GLN 264 CO 0.12 -1.46 0.37 0.50 -2.12 0.00 0.00 175.29 172.70 1otj s ARG 265 N -3.35 3.65 -0.04 2.91 3.52 -1.26 -4.53 118.95 119.84 1otj s ARG 265 Ca 0.81 -0.02 -0.02 0.00 -0.13 0.00 0.00 55.73 56.38 1otj s ARG 265 Cb -0.35 -2.91 0.03 0.00 -1.56 0.00 0.00 34.95 30.16 1otj s ARG 265 CO 0.38 0.51 0.09 0.50 -0.81 0.00 0.00 175.30 175.97 1otj s ARG 266 N -2.36 0.03 -0.13 5.12 3.52 -0.13 -3.64 118.95 121.36 1otj s ARG 266 Ca 0.37 0.30 0.01 0.00 -0.13 0.00 0.00 55.73 56.28 1otj s ARG 266 Cb -0.13 -0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.06 1otj s ARG 266 CO 0.22 -0.18 -0.14 0.42 -0.81 0.00 0.00 175.30 174.82 1otj s ILE 267 N 1.19 1.46 0.09 4.11 1.01 0.15 -0.21 121.20 129.00 1otj s ILE 267 Ca -0.08 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.06 1otj s ILE 267 Cb -0.12 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 1otj s ILE 267 CO -0.05 0.44 -0.20 -0.04 0.00 0.00 0.00 174.94 175.09 1otj s MET 268 N 1.33 1.11 -0.07 2.79 -1.94 -0.41 -1.52 119.30 120.59 1otj s MET 268 Ca 0.01 -1.12 0.05 0.00 -1.71 0.00 0.00 55.69 52.92 1otj s MET 268 Cb -0.14 -1.33 -0.01 0.00 2.01 0.00 0.00 34.83 35.36 1otj s MET 268 CO -0.07 0.31 -0.24 -1.01 -0.01 0.00 0.00 175.02 174.00 1otj s HIS 269 N -1.14 2.48 -0.04 -0.03 3.76 -0.24 0.18 115.29 120.26 1otj s HIS 269 Ca 0.05 -0.74 0.03 0.00 -0.15 0.00 0.00 55.06 54.25 1otj s HIS 269 Cb -0.10 -1.62 0.01 0.00 1.11 0.00 0.00 32.58 31.97 1otj s HIS 269 CO 0.04 -0.23 -0.10 0.50 -0.85 0.00 0.00 174.74 174.10 1otj s ARG 270 N -0.10 1.20 -0.15 1.40 3.52 -0.83 -0.15 118.95 123.83 1otj s ARG 270 Ca -0.05 -0.35 -0.05 0.00 -0.13 0.00 0.00 55.73 55.15 1otj s ARG 270 Cb -0.14 -1.08 -0.03 0.00 -1.56 0.00 0.00 34.95 32.14 1otj s ARG 270 CO 0.04 0.10 0.01 0.00 -0.81 0.00 0.00 175.30 174.65 1otj s ALA 271 N 0.31 3.24 -0.21 6.12 0.00 0.15 -2.17 121.76 129.21 1otj s ALA 271 Ca -0.06 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1otj s ALA 271 Cb -0.11 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.34 1otj s ALA 271 CO 0.01 0.28 -0.16 0.99 0.00 0.00 0.00 175.76 176.89 1otj s THR 272 N 0.09 2.27 -0.34 0.00 2.01 -1.26 -0.71 115.64 117.69 1otj s THR 272 Ca 0.02 -1.05 -0.19 0.00 0.31 0.00 0.00 61.69 60.78 1otj s THR 272 Cb -0.13 -2.06 -0.00 0.00 0.01 0.00 0.00 72.50 70.32 1otj s THR 272 CO 0.02 0.38 0.56 -0.63 -0.69 0.00 0.00 174.62 174.26 1otj s ILE 273 N 1.27 4.98 0.56 1.82 1.01 -0.10 -0.21 121.20 130.52 1otj s ILE 273 Ca 0.02 0.48 -0.21 0.00 0.00 0.00 0.00 60.65 60.93 1otj s ILE 273 Cb -0.15 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1otj s ILE 273 CO -0.10 -0.22 1.27 0.18 0.00 0.00 0.00 174.94 176.07 1otj n LEU 274 N 5.83 5.12 0.00 2.97 7.99 0.40 0.99 117.00 140.30 1otj n LEU 274 Ca -0.03 0.94 0.00 0.00 -0.01 0.00 0.00 56.01 56.91 1otj n LEU 274 Cb 0.49 -1.53 0.00 0.00 -0.11 0.00 0.00 43.42 42.26 1otj n LEU 274 CO 0.46 -0.86 0.00 0.61 -1.51 0.00 0.00 177.39 176.09 1otj n GLY 275 N 0.88 7.19 0.24 -0.72 0.00 -0.81 -3.95 105.19 108.02 1otj n GLY 275 Ca 0.11 -2.00 -0.02 0.00 0.00 0.00 0.00 46.02 44.12 1otj n GLY 275 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1otj n ASP 276 N 0.00 1.44 -4.68 1.61 5.68 -1.26 -4.75 116.55 114.59 1otj n ASP 276 Ca 0.00 -1.13 -0.42 0.00 -0.50 0.00 0.00 54.79 52.74 1otj n ASP 276 Cb 0.00 0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 39.96 1otj n ASP 276 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1otj s LYS 277 N -2.14 4.23 0.23 0.11 2.20 -1.26 -4.18 119.74 118.93 1otj s LYS 277 Ca 0.01 2.12 -0.30 0.00 -0.36 0.00 0.00 55.97 57.44 1otj s LYS 277 Cb -0.00 -3.68 -0.10 0.00 -1.51 0.00 0.00 37.83 32.54 1otj s LYS 277 CO 0.01 -0.69 1.46 -2.14 -0.36 0.00 0.00 175.35 173.63 1otj s PRO 278 N 2.90 4.26 0.15 4.03 0.02 -1.26 -5.00 135.00 140.10 1otj s PRO 278 Ca 0.69 2.30 -0.02 0.00 0.02 0.00 0.00 61.00 63.99 1otj s PRO 278 Cb -0.34 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.02 1otj s PRO 278 CO 0.28 -0.46 0.10 -0.59 -0.33 0.00 0.00 177.00 176.01 1otj s PHE 279 N 0.25 0.90 -0.08 6.54 -0.12 -1.26 -4.63 117.98 119.57 1otj s PHE 279 Ca 0.61 -1.23 0.03 0.00 -0.05 0.00 0.00 56.93 56.29 1otj s PHE 279 Cb -0.42 -0.46 0.01 0.00 -0.63 0.00 0.00 43.02 41.52 1otj s PHE 279 CO 0.41 -0.57 -0.17 -0.47 -0.05 0.00 0.00 175.22 174.36 1otj s TYR 280 N -4.07 1.93 -0.11 3.49 5.04 -1.26 -1.16 117.35 121.20 1otj s TYR 280 Ca 0.28 -0.76 -0.01 0.00 -2.44 0.00 0.00 57.07 54.13 1otj s TYR 280 Cb 0.07 -1.35 0.04 0.00 0.35 0.00 0.00 41.96 41.07 1otj s TYR 280 CO 0.04 -0.34 -0.01 0.50 -1.34 0.00 0.00 175.55 174.40 1otj s ARG 281 N 0.55 0.83 0.00 4.97 3.52 -1.26 -4.95 118.95 122.61 1otj s ARG 281 Ca -0.16 -0.12 0.24 0.00 -0.13 0.00 0.00 55.73 55.56 1otj s ARG 281 Cb -0.17 -1.41 1.41 0.00 -1.56 0.00 0.00 34.95 33.22 1otj s ARG 281 CO 0.06 -0.38 1.78 0.00 -0.81 0.00 0.00 175.30 175.94