#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1trs s VAL 2 N 0.00 0.13 -0.19 2.03 1.01 -1.26 -3.22 120.40 118.90 1trs s VAL 2 Ca 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 1trs s VAL 2 Cb 0.00 -0.97 0.09 0.00 0.00 0.00 0.00 36.38 35.51 1trs s VAL 2 CO 0.00 -0.60 0.36 -0.75 0.00 0.00 0.00 175.10 174.11 1trs s LYS 3 N -2.77 0.28 -0.17 2.72 2.20 -1.03 -4.99 119.74 115.97 1trs s LYS 3 Ca -0.04 0.82 -0.29 0.00 -0.36 0.00 0.00 55.97 56.11 1trs s LYS 3 Cb -0.00 -0.00 -0.00 0.00 -1.51 0.00 0.00 37.83 36.32 1trs s LYS 3 CO -0.05 -0.36 0.99 -1.14 -0.36 0.00 0.00 175.35 174.43 1trs s GLN 4 N 2.54 4.33 -0.42 4.03 0.74 -1.26 -2.51 119.66 127.11 1trs s GLN 4 Ca 0.03 1.32 -0.23 0.00 0.05 0.00 0.00 55.36 56.52 1trs s GLN 4 Cb -0.13 -3.59 0.02 0.00 1.10 0.00 0.00 33.01 30.41 1trs s GLN 4 CO -0.12 -0.45 0.78 0.42 -0.55 0.00 0.00 175.29 175.36 1trs s ILE 5 N 2.54 4.68 -0.51 -2.34 -1.09 -1.14 -4.89 121.20 118.45 1trs s ILE 5 Ca 0.45 0.57 0.23 0.00 -2.23 0.00 0.00 60.65 59.67 1trs s ILE 5 Cb -0.17 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.44 1trs s ILE 5 CO 0.12 -0.61 1.18 -0.33 -1.23 0.00 0.00 174.94 174.07 1trs h GLU 6 N 8.81 0.00 -3.01 2.79 5.08 -1.94 -3.42 114.58 122.89 1trs h GLU 6 Ca -0.25 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1trs h GLU 6 Cb 1.09 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.24 1trs h GLU 6 CO 0.94 0.00 0.21 -1.54 -1.00 0.00 0.00 179.01 177.62 1trs s SER 7 N -4.51 -0.47 0.56 1.42 1.04 -1.26 -4.43 113.70 106.05 1trs s SER 7 Ca 0.04 -0.19 0.28 0.00 0.48 0.00 0.00 55.95 56.56 1trs s SER 7 Cb 0.12 0.64 1.47 0.00 0.10 0.00 0.00 66.02 68.35 1trs s SER 7 CO 0.76 -1.08 1.96 0.50 0.98 0.00 0.00 173.24 176.36 1trs h LYS 8 N 2.01 0.00 0.64 4.02 3.64 -1.93 -1.98 116.57 122.97 1trs h LYS 8 Ca -0.30 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1trs h LYS 8 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1trs h LYS 8 CO 0.34 0.00 -0.35 1.15 -2.27 0.00 0.00 179.45 178.31 1trs h THR 9 N 0.00 0.28 0.00 1.00 2.02 -2.01 -2.03 112.91 112.17 1trs h THR 9 Ca 0.25 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1trs h THR 9 Cb 1.12 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1trs h THR 9 CO -0.00 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.85 1trs h ALA 10 N -0.60 1.24 0.49 6.16 0.00 -1.77 -2.94 119.26 121.84 1trs h ALA 10 Ca -0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1trs h ALA 10 Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1trs h ALA 10 CO 0.11 0.04 -0.24 0.35 0.00 0.00 0.00 179.25 179.52 1trs h PHE 11 N 0.00 -0.61 -0.04 0.00 3.57 -1.09 0.64 116.94 119.41 1trs h PHE 11 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1trs h PHE 11 Cb 0.14 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 1trs h PHE 11 CO 0.00 -0.34 0.01 1.96 -2.23 0.00 0.00 178.31 177.71 1trs h GLN 12 N -0.75 0.06 -0.05 1.11 4.20 -1.37 -2.43 115.11 115.88 1trs h GLN 12 Ca -0.07 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1trs h GLN 12 Cb 0.55 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 1trs h GLN 12 CO 0.11 0.24 0.03 0.93 -0.67 0.00 0.00 178.83 179.47 1trs h GLU 13 N -0.13 0.00 -0.32 1.46 5.08 -1.53 -1.56 114.58 117.58 1trs h GLU 13 Ca 0.01 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1trs h GLU 13 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1trs h GLU 13 CO -0.00 0.00 -0.44 0.00 -1.00 0.00 0.00 179.01 177.57 1trs h ALA 14 N 1.98 0.60 -0.32 3.43 0.00 -0.46 -0.08 119.26 124.40 1trs h ALA 14 Ca 0.02 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 1trs h ALA 14 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1trs h ALA 14 CO -0.00 0.68 -0.21 -0.07 0.00 0.00 0.00 179.25 179.64 1trs h LEU 15 N 0.67 0.74 -0.79 0.00 3.38 -0.85 -1.58 115.31 116.88 1trs h LEU 15 Ca 0.04 -0.43 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 1trs h LEU 15 Cb 1.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1trs h LEU 15 CO 0.10 1.01 -0.38 -0.78 0.09 0.00 0.00 178.44 178.49 1trs h ASP 16 N 0.47 0.48 0.35 -0.43 3.58 -1.33 -2.82 116.42 116.72 1trs h ASP 16 Ca 0.06 -0.20 -0.11 0.00 0.42 0.00 0.00 57.03 57.20 1trs h ASP 16 Cb 0.77 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 1trs h ASP 16 CO 0.06 0.82 -0.48 0.00 -2.88 0.00 0.00 179.24 176.76 1trs h ALA 17 N 1.21 1.09 -0.72 -0.78 0.00 -0.87 -2.83 119.26 116.35 1trs h ALA 17 Ca 0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1trs h ALA 17 Cb 0.84 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1trs h ALA 17 CO 0.07 0.63 0.41 0.00 0.00 0.00 0.00 179.25 180.35 1trs h ALA 18 N 1.39 1.36 0.00 0.00 0.00 -1.02 -3.47 119.26 117.51 1trs h ALA 18 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1trs h ALA 18 Cb 0.89 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1trs h ALA 18 CO 0.07 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1trs n GLY 19 N -1.24 1.65 0.25 0.00 0.00 -1.07 -3.41 105.19 101.36 1trs n GLY 19 Ca 0.07 -0.49 0.03 0.00 0.00 0.00 0.00 46.02 45.63 1trs n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1trs n ASP 20 N 7.55 1.86 -4.82 1.61 9.92 -1.26 -3.72 116.55 127.68 1trs n ASP 20 Ca 0.00 -1.55 -0.31 0.00 -0.53 0.00 0.00 54.79 52.40 1trs n ASP 20 Cb 0.00 -0.05 0.04 0.00 -0.64 0.00 0.00 41.12 40.48 1trs n ASP 20 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1trs s LYS 21 N -0.68 3.06 0.85 -1.24 1.02 -1.22 -4.80 119.74 116.73 1trs s LYS 21 Ca 0.08 0.95 -0.12 0.00 0.02 0.00 0.00 55.97 56.90 1trs s LYS 21 Cb 0.05 -2.01 0.11 0.00 -0.52 0.00 0.00 37.83 35.46 1trs s LYS 21 CO 0.07 -1.00 1.17 -1.17 -0.92 0.00 0.00 175.35 173.50 1trs s LEU 22 N -5.41 3.00 -0.34 3.17 0.20 -1.26 -4.60 118.68 113.44 1trs s LEU 22 Ca 0.58 2.25 0.02 0.00 0.69 0.00 0.00 54.13 57.67 1trs s LEU 22 Cb -0.14 -4.57 0.15 0.00 -0.43 0.00 0.00 46.19 41.20 1trs s LEU 22 CO 0.53 -2.82 0.35 -0.69 -0.29 0.00 0.00 176.35 173.42 1trs s VAL 23 N -2.42 -0.35 -0.30 1.68 1.01 -0.88 -3.01 120.40 116.12 1trs s VAL 23 Ca 0.69 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.72 1trs s VAL 23 Cb -0.25 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1trs s VAL 23 CO 0.54 -0.54 0.33 -0.69 0.00 0.00 0.00 175.10 174.73 1trs s VAL 24 N 1.78 5.20 -0.12 2.92 1.01 -1.01 -0.18 120.40 130.00 1trs s VAL 24 Ca 0.14 0.30 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 1trs s VAL 24 Cb -0.15 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1trs s VAL 24 CO -0.14 0.09 0.30 -0.69 0.00 0.00 0.00 175.10 174.65 1trs s VAL 25 N 1.98 5.28 -0.31 2.92 1.01 0.54 -2.57 120.40 129.25 1trs s VAL 25 Ca 0.12 0.56 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 1trs s VAL 25 Cb -0.16 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1trs s VAL 25 CO 0.11 0.46 0.09 -0.62 0.00 0.00 0.00 175.10 175.13 1trs s ASP 26 N -0.05 5.18 -0.48 3.32 2.15 -0.76 -1.10 116.67 124.94 1trs s ASP 26 Ca 0.18 -0.86 -0.16 0.00 0.43 0.00 0.00 52.55 52.13 1trs s ASP 26 Cb -0.14 -1.87 0.07 0.00 -0.30 0.00 0.00 42.92 40.68 1trs s ASP 26 CO 0.06 -0.24 0.44 -0.36 -0.17 0.00 0.00 175.17 174.90 1trs s PHE 27 N 1.46 3.21 0.20 -5.34 0.08 0.13 -2.75 117.98 114.97 1trs s PHE 27 Ca 0.01 -0.86 -0.04 0.00 0.12 0.00 0.00 56.93 56.16 1trs s PHE 27 Cb -0.18 -3.25 -0.03 0.00 -0.57 0.00 0.00 43.02 38.98 1trs s PHE 27 CO 0.02 -0.85 0.20 -1.12 -0.10 0.00 0.00 175.22 173.38 1trs s SER 28 N 2.64 0.11 -0.60 1.36 0.01 -1.22 -1.77 113.70 114.23 1trs s SER 28 Ca 0.06 -1.24 -0.18 0.00 1.31 0.00 0.00 55.95 55.90 1trs s SER 28 Cb -0.23 0.42 0.12 0.00 0.21 0.00 0.00 66.02 66.53 1trs s SER 28 CO 0.08 -0.89 0.66 0.00 0.41 0.00 0.00 173.24 173.50 1trs s ALA 29 N -4.11 3.52 0.56 1.44 0.00 -1.26 -3.17 121.76 118.75 1trs s ALA 29 Ca 0.32 -2.40 0.27 0.00 0.00 0.00 0.00 51.96 50.15 1trs s ALA 29 Cb 0.05 -3.47 1.51 0.00 0.00 0.00 0.00 23.12 21.20 1trs s ALA 29 CO 0.09 -2.28 2.03 0.00 0.00 0.00 0.00 175.76 175.61 1trs h THR 30 N 5.85 0.58 0.00 0.00 1.03 -1.96 0.27 112.91 118.68 1trs h THR 30 Ca -0.26 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 65.97 1trs h THR 30 Cb 1.09 0.77 -0.02 0.00 -1.07 0.00 0.00 68.15 68.92 1trs h THR 30 CO 1.06 0.00 -0.82 4.11 -0.01 0.00 0.00 175.52 179.86 1trs h TRP 31 N 0.00 0.05 -3.75 0.00 5.08 -2.02 -3.45 115.95 111.86 1trs h TRP 31 Ca 0.16 -0.03 -0.47 0.00 1.08 0.00 0.00 58.89 59.64 1trs h TRP 31 Cb 0.76 -0.01 0.18 0.00 -3.00 0.00 0.00 29.16 27.10 1trs h TRP 31 CO 0.00 0.84 0.14 0.00 -1.28 0.00 0.00 178.44 178.14 1trs n GLY 33 N -0.10 -0.40 0.35 0.00 0.00 -1.26 -3.84 105.19 99.93 1trs n GLY 33 Ca 0.06 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.25 1trs n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1trs h PRO 34 N 0.00 0.00 0.00 1.61 0.11 -1.96 -0.05 132.00 131.72 1trs h PRO 34 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1trs h PRO 34 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1trs h PRO 34 CO 0.00 0.00 -0.15 0.00 -0.21 0.00 0.00 178.00 177.64 1trs n LYS 36 N -4.61 0.05 0.18 0.00 4.81 -0.38 -1.97 118.16 116.24 1trs n LYS 36 Ca -0.11 0.29 0.14 0.00 -0.87 0.00 0.00 58.31 57.75 1trs n LYS 36 Cb 0.44 -1.50 0.53 0.00 0.02 0.00 0.00 35.03 34.52 1trs n LYS 36 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 1trs h MET 37 N 0.00 0.00 -0.89 1.64 4.05 -1.09 -2.87 114.93 115.78 1trs h MET 37 Ca 0.00 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.14 1trs h MET 37 Cb 0.12 0.00 -0.17 0.00 -0.80 0.00 0.00 31.60 30.76 1trs h MET 37 CO 0.00 0.00 0.35 -0.89 0.23 0.00 0.00 176.91 176.60 1trs n ILE 38 N -2.52 2.60 0.05 1.77 5.41 -0.83 -4.33 119.36 121.51 1trs n ILE 38 Ca 0.02 -1.41 0.02 0.00 1.00 0.00 0.00 62.75 62.38 1trs n ILE 38 Cb 0.28 -0.49 -0.06 0.00 -0.71 0.00 0.00 39.64 38.65 1trs n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1trs h LYS 39 N 1.63 0.00 0.00 0.38 2.10 -1.73 -3.26 116.57 115.69 1trs h LYS 39 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 1trs h LYS 39 Cb 2.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.57 1trs h LYS 39 CO 0.73 0.26 0.00 -0.35 -2.00 0.00 0.00 179.45 178.09 1trs n PRO 40 N -2.88 0.65 0.00 0.07 -0.04 -1.26 -2.65 135.00 128.89 1trs n PRO 40 Ca -0.08 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1trs n PRO 40 Cb 0.79 -1.31 -0.00 0.00 -0.04 0.00 0.00 33.50 32.94 1trs n PRO 40 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1trs n PHE 41 N -0.81 0.00 0.37 0.54 3.72 -1.25 -4.36 117.46 115.67 1trs n PHE 41 Ca 0.10 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.35 1trs n PHE 41 Cb 0.05 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.50 1trs n PHE 41 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1trs h PHE 42 N -0.02 -0.87 0.00 1.38 3.57 -1.67 -2.09 116.94 117.23 1trs h PHE 42 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1trs h PHE 42 Cb 0.02 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1trs h PHE 42 CO -0.01 -0.54 0.00 1.58 -2.23 0.00 0.00 178.31 177.11 1trs n HIS 43 N -4.57 0.00 0.03 0.41 -0.00 -1.08 -1.98 115.22 108.03 1trs n HIS 43 Ca -0.12 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.04 1trs n HIS 43 Cb 0.37 -0.16 -0.09 0.00 -0.12 0.00 0.00 29.99 29.99 1trs n HIS 43 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1trs h SER 44 N 0.00 0.00 0.05 0.26 0.87 -1.33 -3.30 113.55 110.10 1trs h SER 44 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1trs h SER 44 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1trs h SER 44 CO 0.00 0.69 0.00 0.18 -0.53 0.00 0.00 176.83 177.17 1trs n LEU 45 N -2.99 0.19 -0.23 2.23 4.77 -0.84 -2.04 117.00 118.10 1trs n LEU 45 Ca -0.09 0.59 0.06 0.00 -0.03 0.00 0.00 56.01 56.54 1trs n LEU 45 Cb 0.88 -0.61 0.32 0.00 -2.33 0.00 0.00 43.42 41.69 1trs n LEU 45 CO 0.43 -0.63 1.23 0.28 -1.33 0.00 0.00 177.39 177.37 1trs h SER 46 N 0.00 0.73 0.90 -1.43 0.02 -1.75 0.45 113.55 112.47 1trs h SER 46 Ca 0.00 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 1trs h SER 46 Cb 0.02 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1trs h SER 46 CO 0.00 0.46 -1.16 -0.33 -1.14 0.00 0.00 176.83 174.66 1trs h GLU 47 N 0.83 0.00 0.00 3.45 5.08 -1.70 -3.35 114.58 118.89 1trs h GLU 47 Ca 0.35 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 1trs h GLU 47 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1trs h GLU 47 CO -0.13 0.19 -0.47 -0.22 -1.00 0.00 0.00 179.01 177.38 1trs h LYS 48 N 0.00 0.00 -3.52 2.33 3.64 -1.41 -3.41 116.57 114.20 1trs h LYS 48 Ca -0.09 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 58.56 1trs h LYS 48 Cb 1.34 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.84 1trs h LYS 48 CO 0.03 0.59 -0.06 0.71 -2.27 0.00 0.00 179.45 178.46 1trs s TYR 49 N -2.13 3.78 -1.45 1.91 2.02 0.15 -4.87 117.35 116.76 1trs s TYR 49 Ca -0.17 -2.70 0.16 0.00 -0.37 0.00 0.00 57.07 53.98 1trs s TYR 49 Cb 0.01 -3.42 0.80 0.00 -0.40 0.00 0.00 41.96 38.95 1trs s TYR 49 CO 0.42 -0.84 1.44 -1.13 -1.57 0.00 0.00 175.55 173.87 1trs n SER 50 N 3.01 0.00 -2.19 2.29 3.41 -1.26 -2.72 113.62 116.16 1trs n SER 50 Ca 0.16 0.04 -0.24 0.00 -0.26 0.00 0.00 58.87 58.57 1trs n SER 50 Cb 0.39 -0.27 0.17 0.00 -0.26 0.00 0.00 64.21 64.24 1trs n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1trs n ASN 51 N -1.27 3.99 -4.02 4.04 5.15 -1.26 -4.37 115.26 117.52 1trs n ASN 51 Ca 0.08 -3.63 -0.19 0.00 -0.60 0.00 0.00 54.58 50.24 1trs n ASN 51 Cb 0.12 -0.84 -0.15 0.00 -0.53 0.00 0.00 39.78 38.38 1trs n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1trs s VAL 52 N -3.41 0.72 -0.31 3.44 1.01 -1.10 -4.71 120.40 116.04 1trs s VAL 52 Ca 0.57 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 1trs s VAL 52 Cb 0.48 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 1trs s VAL 52 CO 0.10 0.21 0.32 -0.63 0.00 0.00 0.00 175.10 175.09 1trs s ILE 53 N -0.20 5.21 -0.15 2.22 -1.09 -1.16 -3.28 121.20 122.74 1trs s ILE 53 Ca 0.03 0.16 -0.03 0.00 -2.23 0.00 0.00 60.65 58.59 1trs s ILE 53 Cb -0.04 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 37.09 1trs s ILE 53 CO -0.00 0.04 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.32 1trs s PHE 54 N 1.95 2.95 -0.10 3.97 0.08 -1.20 -2.40 117.98 123.23 1trs s PHE 54 Ca 0.11 -0.46 -0.01 0.00 0.12 0.00 0.00 56.93 56.69 1trs s PHE 54 Cb -0.16 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 1trs s PHE 54 CO 0.11 -0.14 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.54 1trs s LEU 55 N 0.46 3.26 -0.34 -0.37 1.02 -1.06 -2.46 118.68 119.20 1trs s LEU 55 Ca -0.05 -0.03 -0.03 0.00 0.02 0.00 0.00 54.13 54.04 1trs s LEU 55 Cb -0.15 -1.74 0.07 0.00 0.02 0.00 0.00 46.19 44.39 1trs s LEU 55 CO 0.03 0.30 0.08 -0.70 0.02 0.00 0.00 176.35 176.08 1trs s GLU 56 N -0.43 2.32 -0.16 1.70 2.12 -1.04 -1.82 118.70 121.39 1trs s GLU 56 Ca 0.07 -1.42 -0.06 0.00 0.36 0.00 0.00 54.97 53.92 1trs s GLU 56 Cb -0.12 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1trs s GLU 56 CO 0.02 -0.77 0.03 0.08 -0.54 0.00 0.00 175.26 174.09 1trs s VAL 57 N 1.24 4.52 -0.35 3.70 1.01 -1.11 -2.90 120.40 126.51 1trs s VAL 57 Ca -0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1trs s VAL 57 Cb -0.21 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1trs s VAL 57 CO -0.01 0.49 0.36 -0.62 0.00 0.00 0.00 175.10 175.32 1trs s ASP 58 N 0.15 6.17 0.00 3.32 2.15 -1.26 -3.37 116.67 123.82 1trs s ASP 58 Ca 0.03 -0.31 0.01 0.00 0.43 0.00 0.00 52.55 52.71 1trs s ASP 58 Cb -0.13 -2.19 0.06 0.00 -0.30 0.00 0.00 42.92 40.36 1trs s ASP 58 CO 0.01 -0.36 0.29 1.33 -0.17 0.00 0.00 175.17 176.27 1trs n VAL 59 N 5.25 0.00 -0.02 1.11 0.24 -1.19 -0.95 118.33 122.77 1trs n VAL 59 Ca -0.09 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.18 1trs n VAL 59 Cb 0.49 -0.52 -0.02 0.00 -1.47 0.00 0.00 33.84 32.32 1trs n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1trs n ASP 60 N -0.60 3.82 0.05 -1.34 9.92 -1.26 -4.32 116.55 122.82 1trs n ASP 60 Ca 0.01 -0.02 -0.23 0.00 -0.53 0.00 0.00 54.79 54.03 1trs n ASP 60 Cb 0.00 0.08 -0.15 0.00 -0.64 0.00 0.00 41.12 40.42 1trs n ASP 60 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1trs h ASP 61 N 0.00 0.55 -1.72 -2.24 3.58 -1.82 -3.36 116.42 111.40 1trs h ASP 61 Ca -0.09 -0.94 -0.70 0.00 0.42 0.00 0.00 57.03 55.72 1trs h ASP 61 Cb 1.15 -0.18 -0.32 0.00 1.72 0.00 0.00 39.33 41.69 1trs h ASP 61 CO -0.01 1.81 0.43 0.00 -2.88 0.00 0.00 179.24 178.59 1trs n ALA 62 N -2.91 6.01 0.05 -0.78 0.00 -0.12 -4.74 120.51 118.02 1trs n ALA 62 Ca -0.27 -4.12 0.03 0.00 0.00 0.00 0.00 53.44 49.08 1trs n ALA 62 Cb 1.06 -1.47 0.17 0.00 0.00 0.00 0.00 19.45 19.21 1trs n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1trs n GLN 63 N -0.56 0.04 -0.03 0.00 10.64 -1.26 -0.75 117.38 125.47 1trs n GLN 63 Ca 0.50 0.49 -0.17 0.00 -1.83 0.00 0.00 57.00 55.99 1trs n GLN 63 Cb 0.43 -1.72 -0.07 0.00 -0.86 0.00 0.00 30.24 28.02 1trs n GLN 63 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1trs h ASP 64 N 0.00 0.94 0.54 2.61 2.03 -1.93 -2.21 116.42 118.40 1trs h ASP 64 Ca 0.00 -0.62 -0.20 0.00 -0.73 0.00 0.00 57.03 55.48 1trs h ASP 64 Cb 0.17 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.38 1trs h ASP 64 CO 0.00 1.41 -0.89 0.58 -1.03 0.00 0.00 179.24 179.31 1trs h VAL 65 N 0.53 1.48 -0.43 4.15 2.07 -1.32 -2.80 116.25 119.93 1trs h VAL 65 Ca -0.05 -2.58 -0.10 0.00 0.82 0.00 0.00 66.70 64.79 1trs h VAL 65 Cb 1.37 2.45 -0.02 0.00 -1.52 0.00 0.00 31.29 33.58 1trs h VAL 65 CO 0.16 0.76 -0.13 0.00 0.02 0.00 0.00 177.57 178.37 1trs h ALA 66 N 0.93 0.96 0.02 1.67 0.00 -1.48 0.58 119.26 121.93 1trs h ALA 66 Ca -0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1trs h ALA 66 Cb 1.51 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1trs h ALA 66 CO 0.14 0.61 -0.01 1.03 0.00 0.00 0.00 179.25 181.02 1trs h SER 67 N 0.71 -0.02 -0.68 0.00 0.87 -1.39 -1.45 113.55 111.59 1trs h SER 67 Ca 0.12 -0.46 -0.05 0.00 -1.23 0.00 0.00 61.79 60.17 1trs h SER 67 Cb 0.62 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 1trs h SER 67 CO 0.04 0.45 0.24 -0.08 -0.53 0.00 0.00 176.83 176.96 1trs h GLU 68 N -0.49 1.06 0.00 2.24 4.57 -1.45 -1.16 114.58 119.35 1trs h GLU 68 Ca -0.00 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1trs h GLU 68 Cb 0.48 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1trs h GLU 68 CO 0.00 0.89 0.00 0.00 -1.18 0.00 0.00 179.01 178.72 1trs n ALA 69 N -2.45 2.21 -3.75 2.92 0.00 0.19 -4.89 120.51 114.74 1trs n ALA 69 Ca 0.06 -0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 1trs n ALA 69 Cb 0.20 -1.39 0.03 0.00 0.00 0.00 0.00 19.45 18.30 1trs n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1trs n GLU 70 N -1.29 -5.10 -2.83 0.00 1.02 -0.44 -4.89 120.64 107.10 1trs n GLU 70 Ca 0.11 0.62 -0.43 0.00 -0.02 0.00 0.00 57.16 57.44 1trs n GLU 70 Cb 0.19 -5.26 -0.04 0.00 -0.02 0.00 0.00 31.44 26.32 1trs n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1trs s VAL 71 N -3.58 4.34 -0.55 2.62 1.01 -0.81 -4.82 120.40 118.61 1trs s VAL 71 Ca 0.17 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.35 1trs s VAL 71 Cb -0.08 -4.59 0.21 0.00 0.00 0.00 0.00 36.38 31.91 1trs s VAL 71 CO 0.82 -1.24 1.17 0.29 0.00 0.00 0.00 175.10 176.14 1trs n LYS 72 N 7.62 2.88 -3.33 2.72 4.76 -1.26 -4.86 118.16 126.68 1trs n LYS 72 Ca 0.00 -1.91 -0.13 0.00 -2.87 0.00 0.00 58.31 53.40 1trs n LYS 72 Cb 0.47 -1.21 -0.06 0.00 -1.84 0.00 0.00 35.03 32.39 1trs n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1trs s ALA 73 N -1.14 -0.85 0.26 7.82 0.00 -1.26 -5.14 121.76 121.44 1trs s ALA 73 Ca 0.16 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.50 1trs s ALA 73 Cb 0.09 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 1trs s ALA 73 CO 0.10 -2.07 0.51 0.95 0.00 0.00 0.00 175.76 175.25 1trs s THR 74 N 1.72 5.05 0.47 0.00 -4.23 -1.26 -4.04 115.64 113.35 1trs s THR 74 Ca 0.15 0.04 -0.20 0.00 -1.18 0.00 0.00 61.69 60.50 1trs s THR 74 Cb -0.13 -3.71 -0.09 0.00 1.34 0.00 0.00 72.50 69.91 1trs s THR 74 CO -0.10 -0.24 1.01 -2.16 -0.54 0.00 0.00 174.62 172.59 1trs s PRO 75 N -3.35 3.92 -0.04 3.99 0.04 -1.26 -5.01 135.00 133.29 1trs s PRO 75 Ca 0.43 1.26 -0.00 0.00 0.04 0.00 0.00 61.00 62.73 1trs s PRO 75 Cb -0.11 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1trs s PRO 75 CO 0.28 -0.31 0.00 0.99 0.04 0.00 0.00 177.00 178.00 1trs s THR 76 N -2.09 0.21 -0.17 1.26 2.01 -0.73 -3.40 115.64 112.73 1trs s THR 76 Ca 0.65 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.73 1trs s THR 76 Cb -0.14 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 1trs s THR 76 CO 0.19 0.18 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.91 1trs s PHE 77 N 1.32 3.02 0.04 4.92 0.40 -1.14 -0.69 117.98 125.86 1trs s PHE 77 Ca -0.05 -0.38 0.07 0.00 -0.60 0.00 0.00 56.93 55.97 1trs s PHE 77 Cb -0.13 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.36 1trs s PHE 77 CO -0.02 -0.13 -0.19 -0.65 0.70 0.00 0.00 175.22 174.93 1trs s GLN 78 N 0.63 2.02 -0.33 0.44 -0.21 -0.25 -2.00 119.66 119.95 1trs s GLN 78 Ca -0.02 -1.01 -0.07 0.00 0.02 0.00 0.00 55.36 54.29 1trs s GLN 78 Cb -0.14 -2.16 0.03 0.00 1.00 0.00 0.00 33.01 31.75 1trs s GLN 78 CO 0.02 0.53 0.11 -0.06 -2.12 0.00 0.00 175.29 173.77 1trs s PHE 79 N -0.92 3.24 0.21 0.91 0.40 0.94 -0.34 117.98 122.41 1trs s PHE 79 Ca 0.14 -1.34 0.08 0.00 -0.60 0.00 0.00 56.93 55.21 1trs s PHE 79 Cb -0.10 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 1trs s PHE 79 CO 0.05 -0.70 0.03 -0.06 0.70 0.00 0.00 175.22 175.24 1trs s PHE 80 N 1.42 2.86 -0.20 0.36 0.08 0.75 -1.15 117.98 122.09 1trs s PHE 80 Ca -0.01 -0.15 -0.15 0.00 0.12 0.00 0.00 56.93 56.75 1trs s PHE 80 Cb -0.19 -1.34 0.06 0.00 -0.57 0.00 0.00 43.02 40.98 1trs s PHE 80 CO 0.03 0.54 0.52 0.21 -0.10 0.00 0.00 175.22 176.42 1trs s LYS 81 N -3.24 0.56 0.00 0.44 2.20 -0.49 -2.08 119.74 117.13 1trs s LYS 81 Ca 0.29 0.85 0.00 0.00 -0.36 0.00 0.00 55.97 56.75 1trs s LYS 81 Cb -0.08 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1trs s LYS 81 CO 0.20 -0.12 0.00 1.63 -0.36 0.00 0.00 175.35 176.70 1trs n LYS 82 N 3.59 -0.86 -0.22 4.03 5.02 -1.24 0.72 118.16 129.19 1trs n LYS 82 Ca -0.18 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1trs n LYS 82 Cb 0.56 -3.87 0.00 0.00 -0.02 0.00 0.00 35.03 31.70 1trs n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1trs n GLY 83 N -0.36 1.56 2.92 0.72 0.00 -1.26 -4.91 105.19 103.86 1trs n GLY 83 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1trs n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1trs s GLN 84 N -1.08 1.12 -0.25 1.61 -0.21 0.22 -5.09 119.66 115.98 1trs s GLN 84 Ca 0.00 -0.19 -0.29 0.00 0.02 0.00 0.00 55.36 54.90 1trs s GLN 84 Cb 0.00 -1.08 -0.03 0.00 1.00 0.00 0.00 33.01 32.91 1trs s GLN 84 CO 0.00 -0.08 1.75 0.21 -2.12 0.00 0.00 175.29 175.05 1trs s LYS 85 N 0.99 3.58 -0.13 2.91 2.20 -1.26 -1.40 119.74 126.64 1trs s LYS 85 Ca -0.09 1.65 0.15 0.00 -0.36 0.00 0.00 55.97 57.32 1trs s LYS 85 Cb -0.14 -4.13 0.43 0.00 -1.51 0.00 0.00 37.83 32.47 1trs s LYS 85 CO -0.00 -1.56 1.33 1.33 -0.36 0.00 0.00 175.35 176.09 1trs n VAL 86 N 6.88 1.94 0.00 4.02 0.24 -0.30 -4.98 118.33 126.13 1trs n VAL 86 Ca 0.21 -1.74 0.00 0.00 -2.04 0.00 0.00 64.34 60.77 1trs n VAL 86 Cb 0.46 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 1trs n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1trs n GLY 87 N -0.47 3.11 3.57 7.63 0.00 -1.19 -4.98 105.19 112.86 1trs n GLY 87 Ca 0.18 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 1trs n GLY 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1trs s GLU 88 N -2.00 0.52 -0.28 1.61 -1.05 -1.26 -0.04 118.70 116.20 1trs s GLU 88 Ca 0.00 -0.08 -0.19 0.00 -0.15 0.00 0.00 54.97 54.55 1trs s GLU 88 Cb 0.00 0.24 0.12 0.00 -0.44 0.00 0.00 34.13 34.06 1trs s GLU 88 CO 0.00 -0.21 0.94 -0.59 0.95 0.00 0.00 175.26 176.35 1trs s PHE 89 N -2.09 -0.63 -0.14 4.83 -0.12 -0.85 -4.99 117.98 113.99 1trs s PHE 89 Ca 0.05 1.34 -0.05 0.00 -0.05 0.00 0.00 56.93 58.22 1trs s PHE 89 Cb -0.01 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 1trs s PHE 89 CO -0.04 -0.31 0.04 -1.54 -0.05 0.00 0.00 175.22 173.32 1trs s SER 90 N 1.01 5.51 0.00 1.98 1.04 -1.26 -2.87 113.70 119.12 1trs s SER 90 Ca -0.05 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1trs s SER 90 Cb -0.04 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.29 1trs s SER 90 CO -0.12 0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1trs n GLY 91 N 2.83 3.97 2.15 7.32 0.00 -1.22 -4.97 105.19 115.26 1trs n GLY 91 Ca -0.18 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 1trs n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1trs n ALA 92 N -1.28 6.89 -3.50 4.61 0.00 -1.26 -4.75 120.51 121.22 1trs n ALA 92 Ca 0.00 -2.60 -0.41 0.00 0.00 0.00 0.00 53.44 50.42 1trs n ALA 92 Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 19.45 16.64 1trs n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1trs s ASN 93 N 2.00 6.41 0.42 0.00 3.04 -1.26 -4.89 114.94 120.67 1trs s ASN 93 Ca 0.68 -3.31 0.09 0.00 0.04 0.00 0.00 52.86 50.36 1trs s ASN 93 Cb 0.26 -2.05 0.91 0.00 -1.54 0.00 0.00 41.25 38.83 1trs s ASN 93 CO -0.03 -0.33 2.05 0.07 -3.04 0.00 0.00 177.10 175.81 1trs h LYS 94 N 6.76 0.41 0.00 0.43 -0.00 -1.99 -1.33 116.57 120.85 1trs h LYS 94 Ca 0.12 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.65 60.68 1trs h LYS 94 Cb 0.91 -0.09 -0.01 0.00 -0.00 0.00 0.00 32.23 33.04 1trs h LYS 94 CO 0.85 0.31 -0.25 0.93 -0.00 0.00 0.00 179.45 181.28 1trs h GLU 95 N 0.41 0.00 -0.35 0.07 5.08 -2.00 -2.85 114.58 114.95 1trs h GLU 95 Ca 0.11 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 1trs h GLU 95 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1trs h GLU 95 CO -0.02 0.25 -0.28 -0.22 -1.00 0.00 0.00 179.01 177.75 1trs h LYS 96 N 0.00 0.74 -0.98 2.33 3.64 -1.65 -2.74 116.57 117.91 1trs h LYS 96 Ca -0.00 -0.32 0.22 0.00 -1.27 0.00 0.00 60.65 59.28 1trs h LYS 96 Cb 0.65 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.36 1trs h LYS 96 CO 0.03 0.93 0.63 -0.07 -2.27 0.00 0.00 179.45 178.71 1trs h LEU 97 N 0.63 0.51 0.52 5.20 3.38 -1.50 0.14 115.31 124.19 1trs h LEU 97 Ca 0.08 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1trs h LEU 97 Cb 0.79 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1trs h LEU 97 CO 0.07 0.16 -0.25 -0.08 0.09 0.00 0.00 178.44 178.42 1trs h GLU 98 N 0.48 -0.68 -0.95 1.13 4.81 -1.61 0.24 114.58 118.01 1trs h GLU 98 Ca 0.54 0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.96 1trs h GLU 98 Cb 1.24 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.70 1trs h GLU 98 CO -0.27 -0.45 0.60 0.00 -0.73 0.00 0.00 179.01 178.17 1trs h ALA 99 N -1.39 1.69 -0.03 2.92 0.00 -1.42 0.09 119.26 121.12 1trs h ALA 99 Ca -0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1trs h ALA 99 Cb 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1trs h ALA 99 CO 0.12 0.06 -0.05 1.15 0.00 0.00 0.00 179.25 180.52 1trs h THR 100 N 0.83 1.43 -0.86 0.00 2.02 -0.73 -2.76 112.91 112.84 1trs h THR 100 Ca 0.48 -1.36 0.07 0.00 0.77 0.00 0.00 66.41 66.37 1trs h THR 100 Cb 0.64 2.28 -0.06 0.00 -1.74 0.00 0.00 68.15 69.26 1trs h THR 100 CO -0.25 0.36 0.53 0.40 0.37 0.00 0.00 175.52 176.94 1trs h ILE 101 N -0.44 1.02 0.00 3.11 2.04 0.13 0.47 117.51 123.83 1trs h ILE 101 Ca 0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1trs h ILE 101 Cb 0.62 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1trs h ILE 101 CO 0.01 0.17 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 1trs n ASN 102 N -4.64 0.00 -0.06 1.72 5.15 -0.04 -2.18 115.26 115.21 1trs n ASN 102 Ca 0.13 -0.35 -0.07 0.00 -0.60 0.00 0.00 54.58 53.69 1trs n ASN 102 Cb 0.20 -0.12 -0.06 0.00 -0.53 0.00 0.00 39.78 39.27 1trs n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1trs h GLU 103 N 0.00 0.00 -0.64 1.20 4.81 0.25 -3.35 114.58 116.85 1trs h GLU 103 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1trs h GLU 103 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1trs h GLU 103 CO 0.00 0.44 0.00 1.28 -0.73 0.00 0.00 179.01 180.00 1trs n LEU 104 N -4.68 4.81 0.00 1.64 4.77 -1.19 -5.12 117.00 117.24 1trs n LEU 104 Ca -0.06 -2.44 0.06 0.00 -0.03 0.00 0.00 56.01 53.54 1trs n LEU 104 Cb 0.24 -0.61 0.33 0.00 -2.33 0.00 0.00 43.42 41.05 1trs n LEU 104 CO 0.15 0.66 0.55 0.55 -1.33 0.00 0.00 177.39 177.97