#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1trv s VAL 2 N 0.00 0.06 -0.17 2.03 1.01 -1.26 -4.20 120.40 117.88 1trv s VAL 2 Ca 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 59.91 1trv s VAL 2 Cb 0.00 -2.49 0.07 0.00 0.00 0.00 0.00 36.38 33.96 1trv s VAL 2 CO 0.00 0.00 0.36 -0.75 0.00 0.00 0.00 175.10 174.71 1trv s LYS 3 N -3.67 0.28 -0.07 2.72 2.20 -1.20 -5.01 119.74 114.99 1trv s LYS 3 Ca 0.39 0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 56.57 1trv s LYS 3 Cb 0.04 0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.47 1trv s LYS 3 CO 0.22 -0.24 1.00 -1.14 -0.36 0.00 0.00 175.35 174.83 1trv s GLN 4 N 2.23 4.47 -0.20 4.03 0.74 -1.26 -1.27 119.66 128.40 1trv s GLN 4 Ca -0.03 1.40 -0.17 0.00 0.05 0.00 0.00 55.36 56.60 1trv s GLN 4 Cb -0.11 -3.52 -0.03 0.00 1.10 0.00 0.00 33.01 30.45 1trv s GLN 4 CO -0.11 -0.23 0.47 0.42 -0.55 0.00 0.00 175.29 175.29 1trv s ILE 5 N 1.68 5.14 -0.09 -2.34 -1.09 -0.51 -4.94 121.20 119.05 1trv s ILE 5 Ca 0.49 0.86 0.15 0.00 -2.23 0.00 0.00 60.65 59.92 1trv s ILE 5 Cb -0.19 -3.80 -0.22 0.00 -1.58 0.00 0.00 42.46 36.67 1trv s ILE 5 CO 0.21 0.21 0.55 -0.62 -1.23 0.00 0.00 174.94 174.06 1trv n GLU 6 N 4.64 0.64 -0.14 2.79 1.02 -1.26 -4.44 120.64 123.90 1trv n GLU 6 Ca -0.06 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1trv n GLU 6 Cb 0.51 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1trv n SER 7 N -2.92 0.00 0.11 1.62 3.41 -1.26 -4.08 113.62 110.49 1trv n SER 7 Ca -0.19 -0.13 0.01 0.00 -0.26 0.00 0.00 58.87 58.30 1trv n SER 7 Cb 1.02 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.97 1trv n SER 7 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1trv h LYS 8 N 0.00 0.00 0.03 4.33 3.64 -1.93 -3.12 116.57 119.51 1trv h LYS 8 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1trv h LYS 8 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1trv h LYS 8 CO 0.00 0.50 -0.06 1.15 -2.27 0.00 0.00 179.45 178.77 1trv h THR 9 N 0.00 0.85 0.00 1.00 2.02 -2.00 -1.57 112.91 113.21 1trv h THR 9 Ca -0.04 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 1trv h THR 9 Cb 1.45 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 1trv h THR 9 CO 0.07 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.51 1trv h ALA 10 N 0.84 1.25 0.19 6.16 0.00 -1.98 -2.73 119.26 123.00 1trv h ALA 10 Ca 0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1trv h ALA 10 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1trv h ALA 10 CO -0.04 0.56 -0.09 0.35 0.00 0.00 0.00 179.25 180.03 1trv h PHE 11 N 0.00 -0.24 -0.18 0.00 3.57 -1.30 0.13 116.94 118.92 1trv h PHE 11 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1trv h PHE 11 Cb 0.80 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1trv h PHE 11 CO 0.00 -0.14 0.09 1.96 -2.23 0.00 0.00 178.31 178.00 1trv h GLN 12 N -0.27 0.26 -0.00 1.11 1.08 -1.25 -1.74 115.11 114.30 1trv h GLN 12 Ca -0.03 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1trv h GLN 12 Cb 0.21 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1trv h GLN 12 CO 0.04 0.29 0.00 0.93 -0.95 0.00 0.00 178.83 179.14 1trv h GLU 13 N 0.17 0.00 -0.02 1.46 4.39 -1.34 -1.40 114.58 117.85 1trv h GLU 13 Ca 0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1trv h GLU 13 Cb 0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1trv h GLU 13 CO -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 177.83 1trv h ALA 14 N 2.00 0.03 0.00 3.43 0.00 0.16 -1.92 119.26 122.96 1trv h ALA 14 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1trv h ALA 14 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1trv h ALA 14 CO -0.00 -0.26 -0.10 -0.07 0.00 0.00 0.00 179.25 178.82 1trv h LEU 15 N -0.36 0.00 -0.11 0.00 3.38 -0.95 -1.62 115.31 115.65 1trv h LEU 15 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1trv h LEU 15 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1trv h LEU 15 CO 0.00 0.10 -0.20 -0.78 0.09 0.00 0.00 178.44 177.65 1trv h ASP 16 N 0.00 0.38 1.22 -0.43 3.58 -0.96 -2.99 116.42 117.22 1trv h ASP 16 Ca -0.00 -0.55 -0.00 0.00 0.42 0.00 0.00 57.03 56.90 1trv h ASP 16 Cb 0.35 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 1trv h ASP 16 CO 0.01 0.85 -0.00 0.00 -2.88 0.00 0.00 179.24 177.22 1trv h ALA 17 N 0.54 1.00 -0.10 -0.78 0.00 -0.98 -2.86 119.26 116.07 1trv h ALA 17 Ca 0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1trv h ALA 17 Cb 0.78 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1trv h ALA 17 CO 0.05 0.01 -0.20 0.00 0.00 0.00 0.00 179.25 179.10 1trv h ALA 18 N 2.00 1.48 0.00 0.00 0.00 -1.15 -3.47 119.26 118.11 1trv h ALA 18 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 18 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1trv h ALA 18 CO 0.00 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1trv n GLY 19 N -0.77 1.87 0.00 0.00 0.00 -1.08 -3.40 105.19 101.82 1trv n GLY 19 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1trv n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1trv n ASP 20 N 6.82 0.00 -4.79 1.61 8.00 -1.26 -4.56 116.55 122.37 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 0.71 0.00 0.00 54.79 54.21 1trv n ASP 20 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.23 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1trv s LYS 21 N 0.00 1.19 0.79 -1.24 1.02 -1.22 -4.47 119.74 115.81 1trv s LYS 21 Ca 0.00 0.28 -0.13 0.00 0.02 0.00 0.00 55.97 56.14 1trv s LYS 21 Cb 0.00 -1.85 0.07 0.00 -0.52 0.00 0.00 37.83 35.54 1trv s LYS 21 CO 0.00 -2.16 1.17 -1.17 -0.92 0.00 0.00 175.35 172.26 1trv s LEU 22 N -6.00 3.13 -0.28 3.17 0.20 -1.26 -4.38 118.68 113.26 1trv s LEU 22 Ca 0.64 2.21 -0.00 0.00 0.69 0.00 0.00 54.13 57.66 1trv s LEU 22 Cb -0.14 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.18 1trv s LEU 22 CO 0.53 -2.46 0.32 -0.69 -0.29 0.00 0.00 176.35 173.76 1trv s VAL 23 N -2.35 -0.46 0.55 1.68 1.01 -0.34 -3.09 120.40 117.41 1trv s VAL 23 Ca 0.70 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1trv s VAL 23 Cb -0.25 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1trv s VAL 23 CO 0.50 -0.39 0.81 -0.69 0.00 0.00 0.00 175.10 175.33 1trv s VAL 24 N 2.41 3.22 0.01 2.92 1.01 -0.46 -0.58 120.40 128.93 1trv s VAL 24 Ca 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1trv s VAL 24 Cb -0.14 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1trv s VAL 24 CO -0.30 -0.20 0.03 -0.69 0.00 0.00 0.00 175.10 173.93 1trv s VAL 25 N -2.83 0.10 -0.25 2.92 1.01 -0.74 -2.39 120.40 118.21 1trv s VAL 25 Ca 0.54 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1trv s VAL 25 Cb -0.10 -0.30 0.06 0.00 0.00 0.00 0.00 36.38 36.03 1trv s VAL 25 CO 0.41 -0.43 -0.10 -0.62 0.00 0.00 0.00 175.10 174.35 1trv s ASP 26 N -1.35 4.18 -0.54 3.32 2.15 -1.03 -2.91 116.67 120.48 1trv s ASP 26 Ca -0.15 -1.28 -0.16 0.00 0.43 0.00 0.00 52.55 51.39 1trv s ASP 26 Cb -0.09 -1.44 0.13 0.00 -0.30 0.00 0.00 42.92 41.22 1trv s ASP 26 CO -0.00 -0.19 0.49 -0.36 -0.17 0.00 0.00 175.17 174.94 1trv s PHE 27 N 1.20 3.25 0.27 -5.34 0.40 -0.27 -1.32 117.98 116.17 1trv s PHE 27 Ca -0.07 -1.27 0.02 0.00 -0.60 0.00 0.00 56.93 55.01 1trv s PHE 27 Cb -0.19 -3.76 0.02 0.00 0.51 0.00 0.00 43.02 39.60 1trv s PHE 27 CO -0.06 -1.01 0.17 0.43 0.70 0.00 0.00 175.22 175.45 1trv n SER 28 N 5.25 2.02 -3.68 1.36 7.64 -1.16 -1.82 113.62 123.23 1trv n SER 28 Ca -0.14 -1.97 -0.27 0.00 1.01 0.00 0.00 58.87 57.50 1trv n SER 28 Cb 0.40 0.01 -0.17 0.00 -1.01 0.00 0.00 64.21 63.45 1trv n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1trv s ALA 29 N -2.40 0.79 0.03 -0.43 0.00 -1.05 -2.86 121.76 115.84 1trv s ALA 29 Ca 0.13 -0.60 -0.25 0.00 0.00 0.00 0.00 51.96 51.24 1trv s ALA 29 Cb -0.01 -1.15 -0.18 0.00 0.00 0.00 0.00 23.12 21.78 1trv s ALA 29 CO 0.08 -1.21 1.46 0.00 0.00 0.00 0.00 175.76 176.09 1trv h THR 30 N 6.48 1.12 -0.39 0.00 1.03 -1.96 -2.25 112.91 116.93 1trv h THR 30 Ca -0.16 -0.60 0.11 0.00 -0.01 0.00 0.00 66.41 65.76 1trv h THR 30 Cb 1.12 1.52 -0.02 0.00 -1.07 0.00 0.00 68.15 69.71 1trv h THR 30 CO 0.33 0.15 0.53 4.11 -0.01 0.00 0.00 175.52 180.63 1trv h TRP 31 N -0.34 0.00 -3.52 0.00 5.08 -1.96 -3.40 115.95 111.81 1trv h TRP 31 Ca -0.01 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.46 1trv h TRP 31 Cb 0.30 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.46 1trv h TRP 31 CO 0.01 0.00 0.03 0.00 -1.28 0.00 0.00 178.44 177.20 1trv n GLY 33 N -1.15 -0.62 0.19 0.00 0.00 -1.26 -4.34 105.19 98.00 1trv n GLY 33 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1trv n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1trv h PRO 34 N -0.29 0.23 -1.56 1.61 0.11 -1.96 -0.66 132.00 129.48 1trv h PRO 34 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1trv h PRO 34 Cb 0.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1trv h PRO 34 CO 0.00 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 177.94 1trv n LYS 36 N 1.00 0.00 0.00 0.00 4.81 -0.27 -2.53 118.16 121.17 1trv n LYS 36 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1trv n LYS 36 Cb 0.33 -0.48 0.52 0.00 0.02 0.00 0.00 35.03 35.41 1trv n LYS 36 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1trv n MET 37 N -0.76 0.51 -0.50 1.64 2.81 -1.09 -2.24 117.12 117.49 1trv n MET 37 Ca 0.00 0.02 0.09 0.00 -1.81 0.00 0.00 57.70 56.00 1trv n MET 37 Cb 0.00 -1.50 0.31 0.00 -0.71 0.00 0.00 33.22 31.32 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1trv n ILE 38 N -1.05 1.46 0.07 2.02 5.41 -1.26 -4.30 119.36 121.72 1trv n ILE 38 Ca 0.13 -0.99 -0.04 0.00 1.00 0.00 0.00 62.75 62.84 1trv n ILE 38 Cb 0.07 0.14 -0.08 0.00 -0.71 0.00 0.00 39.64 39.06 1trv n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1trv h LYS 39 N 3.63 0.00 0.00 0.38 2.10 -1.81 -3.18 116.57 117.68 1trv h LYS 39 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1trv h LYS 39 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1trv h LYS 39 CO 0.17 0.79 0.00 -0.35 -2.00 0.00 0.00 179.45 178.06 1trv n PRO 40 N -3.27 0.10 -0.06 0.07 -0.05 -1.26 -1.07 135.00 129.46 1trv n PRO 40 Ca -0.01 0.35 -0.02 0.00 -0.05 0.00 0.00 63.50 63.76 1trv n PRO 40 Cb 0.89 -1.69 -0.01 0.00 -0.05 0.00 0.00 33.50 32.64 1trv n PRO 40 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 175.50 176.19 1trv h PHE 41 N 0.00 0.00 -0.40 0.54 -1.00 -1.85 -3.07 116.94 111.16 1trv h PHE 41 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1trv h PHE 41 Cb 0.30 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 1trv h PHE 41 CO 0.00 0.00 0.23 0.35 -1.61 0.00 0.00 178.31 177.28 1trv h PHE 42 N -1.00 0.54 0.00 -0.55 3.57 -1.58 -2.33 116.94 115.59 1trv h PHE 42 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1trv h PHE 42 Cb 0.26 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 1trv h PHE 42 CO -0.11 0.41 -0.11 1.25 -2.23 0.00 0.00 178.31 177.51 1trv h HIS 43 N 0.52 0.00 -0.15 0.41 2.76 -1.29 -1.94 115.15 115.46 1trv h HIS 43 Ca 0.14 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.21 1trv h HIS 43 Cb 0.04 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1trv h HIS 43 CO -0.03 0.11 -0.35 0.66 -1.30 0.00 0.00 177.93 177.03 1trv h SER 44 N 0.00 0.32 -0.42 3.26 4.64 -1.32 -2.55 113.55 117.47 1trv h SER 44 Ca -0.00 -0.12 0.07 0.00 -0.47 0.00 0.00 61.79 61.27 1trv h SER 44 Cb 0.22 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1trv h SER 44 CO 0.01 0.65 0.29 -0.07 -0.87 0.00 0.00 176.83 176.84 1trv h LEU 45 N 0.26 0.25 -0.97 5.97 3.38 -1.24 -1.63 115.31 121.33 1trv h LEU 45 Ca 0.03 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.20 1trv h LEU 45 Cb 0.75 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 1trv h LEU 45 CO 0.06 0.16 0.56 0.28 0.09 0.00 0.00 178.44 179.59 1trv h SER 46 N 0.28 0.67 0.91 -0.43 0.02 -1.53 0.46 113.55 113.94 1trv h SER 46 Ca 0.19 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 61.19 1trv h SER 46 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1trv h SER 46 CO -0.04 0.19 -1.13 -0.33 -1.14 0.00 0.00 176.83 174.38 1trv h GLU 47 N 0.66 0.00 0.00 3.45 5.08 -1.47 -3.33 114.58 118.96 1trv h GLU 47 Ca 0.58 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.85 1trv h GLU 47 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1trv h GLU 47 CO -0.42 0.12 -0.73 -0.22 -1.00 0.00 0.00 179.01 176.76 1trv h LYS 48 N 0.00 0.00 -2.34 2.33 3.64 -0.67 -3.39 116.57 116.14 1trv h LYS 48 Ca -0.06 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.73 1trv h LYS 48 Cb 1.23 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.65 1trv h LYS 48 CO 0.02 0.31 -0.84 0.66 -2.27 0.00 0.00 179.45 177.33 1trv n TYR 49 N -3.05 1.28 0.84 1.91 4.01 0.15 -4.91 117.16 117.39 1trv n TYR 49 Ca -0.01 -3.81 0.07 0.00 -0.16 0.00 0.00 57.90 53.99 1trv n TYR 49 Cb 0.71 -0.32 0.41 0.00 -0.31 0.00 0.00 39.34 39.83 1trv n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1trv n SER 50 N 1.69 0.00 -1.42 7.72 3.41 -1.25 -1.78 113.62 121.99 1trv n SER 50 Ca 0.25 -0.30 0.10 0.00 -0.26 0.00 0.00 58.87 58.67 1trv n SER 50 Cb 0.45 -0.08 0.33 0.00 -0.26 0.00 0.00 64.21 64.65 1trv n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1trv n ASN 51 N -1.08 4.17 -4.15 4.04 5.15 -1.26 -4.91 115.26 117.22 1trv n ASN 51 Ca 0.10 -2.19 -0.18 0.00 -0.60 0.00 0.00 54.58 51.71 1trv n ASN 51 Cb 0.07 -0.52 -0.12 0.00 -0.53 0.00 0.00 39.78 38.68 1trv n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1trv s VAL 52 N -1.39 1.04 -0.28 3.44 1.01 -0.73 -4.74 120.40 118.74 1trv s VAL 52 Ca 0.49 -1.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 1trv s VAL 52 Cb 0.28 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1trv s VAL 52 CO 0.29 -0.20 0.20 -0.63 0.00 0.00 0.00 175.10 174.75 1trv s ILE 53 N -1.21 5.30 -0.14 2.22 -1.09 -1.18 -4.98 121.20 120.13 1trv s ILE 53 Ca -0.02 0.19 -0.02 0.00 -2.23 0.00 0.00 60.65 58.57 1trv s ILE 53 Cb -0.10 -3.54 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1trv s ILE 53 CO 0.02 0.25 -0.08 -0.36 -1.23 0.00 0.00 174.94 173.53 1trv s PHE 54 N 1.78 2.93 0.42 3.97 0.08 -1.26 -1.36 117.98 124.53 1trv s PHE 54 Ca 0.07 -0.45 0.08 0.00 0.12 0.00 0.00 56.93 56.74 1trv s PHE 54 Cb -0.16 -1.90 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 1trv s PHE 54 CO 0.11 -0.11 0.33 -0.51 -0.10 0.00 0.00 175.22 174.94 1trv s LEU 55 N 0.35 3.33 -0.24 -0.37 1.02 -1.01 -3.21 118.68 118.56 1trv s LEU 55 Ca -0.07 -0.82 -0.04 0.00 0.02 0.00 0.00 54.13 53.22 1trv s LEU 55 Cb -0.15 -1.91 0.09 0.00 0.02 0.00 0.00 46.19 44.24 1trv s LEU 55 CO 0.04 -0.63 0.17 -0.70 0.02 0.00 0.00 176.35 175.25 1trv s GLU 56 N -4.08 0.17 0.16 1.70 2.12 -0.39 -2.47 118.70 115.92 1trv s GLU 56 Ca 0.47 -0.17 0.05 0.00 0.36 0.00 0.00 54.97 55.67 1trv s GLU 56 Cb -0.02 -1.29 -0.04 0.00 0.26 0.00 0.00 34.13 33.05 1trv s GLU 56 CO 0.27 -0.84 0.16 0.08 -0.54 0.00 0.00 175.26 174.39 1trv s VAL 57 N 2.21 4.59 -0.18 3.70 1.01 -0.43 -1.42 120.40 129.88 1trv s VAL 57 Ca 0.07 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1trv s VAL 57 Cb -0.16 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1trv s VAL 57 CO -0.22 -0.11 -0.19 -0.62 0.00 0.00 0.00 175.10 173.95 1trv s ASP 58 N -3.14 3.13 0.00 3.32 2.15 -1.26 -2.96 116.67 117.91 1trv s ASP 58 Ca 0.31 -0.66 0.01 0.00 0.43 0.00 0.00 52.55 52.65 1trv s ASP 58 Cb -0.10 -1.45 0.09 0.00 -0.30 0.00 0.00 42.92 41.15 1trv s ASP 58 CO 0.24 -0.01 0.38 1.33 -0.17 0.00 0.00 175.17 176.94 1trv n VAL 59 N 4.63 0.00 -0.00 1.11 0.24 -1.14 -0.55 118.33 122.62 1trv n VAL 59 Ca -0.20 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.09 1trv n VAL 59 Cb 0.50 -0.46 -0.00 0.00 -1.47 0.00 0.00 33.84 32.40 1trv n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1trv n ASP 60 N -0.59 2.85 0.06 -1.34 9.92 -1.26 -4.33 116.55 121.86 1trv n ASP 60 Ca 0.01 -0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.29 1trv n ASP 60 Cb 0.01 -0.02 -0.05 0.00 -0.64 0.00 0.00 41.12 40.42 1trv n ASP 60 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1trv h ASP 61 N -0.01 0.00 -1.03 -2.24 1.82 -1.86 -3.36 116.42 109.74 1trv h ASP 61 Ca -0.02 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.08 1trv h ASP 61 Cb 1.03 0.00 -0.42 0.00 0.68 0.00 0.00 39.33 40.61 1trv h ASP 61 CO -0.01 0.52 -0.81 0.00 -1.61 0.00 0.00 179.24 177.33 1trv n ALA 62 N -2.34 4.87 0.24 -0.78 0.00 0.29 -4.70 120.51 118.10 1trv n ALA 62 Ca -0.06 -3.92 0.13 0.00 0.00 0.00 0.00 53.44 49.59 1trv n ALA 62 Cb 0.79 -0.45 0.67 0.00 0.00 0.00 0.00 19.45 20.47 1trv n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1trv h GLN 63 N 2.37 0.00 -0.32 0.00 4.20 -1.72 0.31 115.11 119.95 1trv h GLN 63 Ca 0.31 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.84 1trv h GLN 63 Cb 1.29 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 1trv h GLN 63 CO 0.76 0.00 -0.47 0.38 -0.67 0.00 0.00 178.83 178.83 1trv h ASP 64 N 0.00 0.97 0.65 1.46 2.03 -1.91 -1.97 116.42 117.66 1trv h ASP 64 Ca 0.00 -0.50 -0.25 0.00 -0.73 0.00 0.00 57.03 55.55 1trv h ASP 64 Cb 0.40 -0.28 -0.00 0.00 -0.83 0.00 0.00 39.33 38.63 1trv h ASP 64 CO 0.00 1.29 -1.13 0.58 -1.03 0.00 0.00 179.24 178.95 1trv h VAL 65 N 0.68 1.52 -0.70 4.15 2.07 -1.27 -3.14 116.25 119.57 1trv h VAL 65 Ca 0.03 -3.00 -0.03 0.00 0.82 0.00 0.00 66.70 64.52 1trv h VAL 65 Cb 1.07 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 33.62 1trv h VAL 65 CO 0.11 0.87 0.31 0.00 0.02 0.00 0.00 177.57 178.88 1trv h ALA 66 N 0.71 0.91 0.00 1.67 0.00 -1.39 -1.83 119.26 119.33 1trv h ALA 66 Ca -0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1trv h ALA 66 Cb 1.84 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1trv h ALA 66 CO 0.18 0.50 -0.23 0.66 0.00 0.00 0.00 179.25 180.36 1trv h SER 67 N 0.99 0.00 0.80 0.00 4.64 -1.40 0.23 113.55 118.82 1trv h SER 67 Ca 0.24 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 1trv h SER 67 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1trv h SER 67 CO -0.03 0.23 -0.41 -0.08 -0.87 0.00 0.00 176.83 175.67 1trv h GLU 68 N 0.00 -1.07 -0.00 4.77 4.81 -1.28 -2.13 114.58 119.68 1trv h GLU 68 Ca -0.00 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1trv h GLU 68 Cb 0.43 0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1trv h GLU 68 CO 0.03 -0.71 -0.01 0.00 -0.73 0.00 0.00 179.01 177.58 1trv n ALA 69 N -2.60 2.66 -3.51 2.92 0.00 -1.15 -4.93 120.51 113.90 1trv n ALA 69 Ca -0.15 -0.24 -0.24 0.00 0.00 0.00 0.00 53.44 52.81 1trv n ALA 69 Cb 0.45 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.51 1trv n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1trv n GLU 70 N -0.84 -1.52 -2.79 0.00 1.02 0.75 -4.88 120.64 112.38 1trv n GLU 70 Ca 0.21 0.67 -0.43 0.00 -0.02 0.00 0.00 57.16 57.59 1trv n GLU 70 Cb 0.19 -4.65 -0.04 0.00 -0.02 0.00 0.00 31.44 26.92 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1trv s VAL 71 N -3.38 4.32 -0.22 2.62 1.01 -0.82 -4.85 120.40 119.08 1trv s VAL 71 Ca 0.41 0.39 0.14 0.00 0.00 0.00 0.00 61.98 62.92 1trv s VAL 71 Cb -0.12 -4.58 0.55 0.00 0.00 0.00 0.00 36.38 32.23 1trv s VAL 71 CO 0.82 -1.16 1.47 0.29 0.00 0.00 0.00 175.10 176.52 1trv n LYS 72 N 7.64 2.73 -3.20 2.72 5.02 -1.26 -4.85 118.16 126.96 1trv n LYS 72 Ca 0.03 -2.95 0.00 0.00 -2.02 0.00 0.00 58.31 53.37 1trv n LYS 72 Cb 0.48 -1.88 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 1trv n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1trv s ALA 73 N -2.95 -2.04 0.14 7.82 0.00 -1.26 -5.16 121.76 118.31 1trv s ALA 73 Ca 0.44 0.95 0.03 0.00 0.00 0.00 0.00 51.96 53.39 1trv s ALA 73 Cb 0.37 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1trv s ALA 73 CO 0.07 -1.72 0.20 0.95 0.00 0.00 0.00 175.76 175.26 1trv s THR 74 N 2.75 4.96 0.72 0.00 -4.23 -1.26 -4.18 115.64 114.40 1trv s THR 74 Ca 0.11 -0.80 -0.11 0.00 -1.18 0.00 0.00 61.69 59.72 1trv s THR 74 Cb -0.11 -3.51 0.02 0.00 1.34 0.00 0.00 72.50 70.23 1trv s THR 74 CO -0.26 -0.05 1.07 -2.16 -0.54 0.00 0.00 174.62 172.68 1trv s PRO 75 N -3.02 2.78 0.04 3.99 0.04 -1.26 -4.87 135.00 132.69 1trv s PRO 75 Ca 0.33 0.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.00 1trv s PRO 75 Cb -0.11 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1trv s PRO 75 CO 0.26 -1.16 0.24 0.99 0.04 0.00 0.00 177.00 177.37 1trv s THR 76 N -3.15 0.10 0.03 1.26 2.01 -0.76 -3.23 115.64 111.91 1trv s THR 76 Ca 0.58 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.84 1trv s THR 76 Cb -0.13 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 1trv s THR 76 CO 0.54 -0.44 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.53 1trv s PHE 77 N -2.47 1.22 0.03 4.92 0.40 -0.93 -1.12 117.98 120.04 1trv s PHE 77 Ca -0.06 -0.34 0.05 0.00 -0.60 0.00 0.00 56.93 55.98 1trv s PHE 77 Cb -0.01 -0.73 -0.02 0.00 0.51 0.00 0.00 43.02 42.76 1trv s PHE 77 CO -0.03 0.03 -0.15 -0.65 0.70 0.00 0.00 175.22 175.12 1trv s GLN 78 N -1.05 1.01 -0.34 0.44 -0.21 -1.15 -2.08 119.66 116.29 1trv s GLN 78 Ca 0.02 -0.75 -0.07 0.00 0.02 0.00 0.00 55.36 54.58 1trv s GLN 78 Cb -0.08 -1.03 0.04 0.00 1.00 0.00 0.00 33.01 32.94 1trv s GLN 78 CO 0.01 0.26 0.11 -0.06 -2.12 0.00 0.00 175.29 173.49 1trv s PHE 79 N -0.77 3.25 0.13 0.91 0.40 0.11 -1.80 117.98 120.21 1trv s PHE 79 Ca 0.03 -1.35 0.07 0.00 -0.60 0.00 0.00 56.93 55.08 1trv s PHE 79 Cb -0.08 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 1trv s PHE 79 CO 0.01 -0.71 -0.05 -0.06 0.70 0.00 0.00 175.22 175.11 1trv s PHE 80 N 1.42 2.81 -0.17 0.36 0.08 0.26 -1.83 117.98 120.92 1trv s PHE 80 Ca -0.01 -0.13 -0.10 0.00 0.12 0.00 0.00 56.93 56.81 1trv s PHE 80 Cb -0.19 -1.42 0.06 0.00 -0.57 0.00 0.00 43.02 40.89 1trv s PHE 80 CO 0.03 0.47 0.42 0.21 -0.10 0.00 0.00 175.22 176.26 1trv s LYS 81 N -2.52 0.42 -1.12 0.44 2.20 -0.70 -1.20 119.74 117.26 1trv s LYS 81 Ca 0.24 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.63 1trv s LYS 81 Cb -0.10 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 1trv s LYS 81 CO 0.16 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.64 1trv n LYS 82 N 4.07 -1.38 -1.71 4.03 5.02 -1.26 0.82 118.16 127.76 1trv n LYS 82 Ca -0.22 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1trv n LYS 82 Cb 0.56 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.75 1trv n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1trv n GLY 83 N -0.11 0.58 2.90 0.72 0.00 -1.26 -5.05 105.19 102.96 1trv n GLY 83 Ca -0.11 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 1trv n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1trv s GLN 84 N -3.55 1.02 0.02 1.61 -0.21 0.24 -5.10 119.66 113.70 1trv s GLN 84 Ca 0.00 -0.14 -0.30 0.00 0.02 0.00 0.00 55.36 54.93 1trv s GLN 84 Cb 0.00 -1.04 -0.07 0.00 1.00 0.00 0.00 33.01 32.90 1trv s GLN 84 CO 0.00 -0.12 1.65 0.21 -2.12 0.00 0.00 175.29 174.91 1trv s LYS 85 N 1.12 4.20 -0.00 2.91 2.20 -1.26 -1.72 119.74 127.18 1trv s LYS 85 Ca -0.08 2.28 0.03 0.00 -0.36 0.00 0.00 55.97 57.84 1trv s LYS 85 Cb -0.14 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.40 1trv s LYS 85 CO -0.01 -0.77 0.10 1.33 -0.36 0.00 0.00 175.35 175.64 1trv n VAL 86 N 4.99 0.00 -3.62 4.02 0.24 -0.76 -4.96 118.33 118.24 1trv n VAL 86 Ca 0.16 -0.30 -0.03 0.00 -2.04 0.00 0.00 64.34 62.14 1trv n VAL 86 Cb 0.41 0.79 -0.02 0.00 -1.47 0.00 0.00 33.84 33.55 1trv n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1trv s GLY 87 N -1.66 -0.25 -0.14 7.63 0.00 -1.18 -5.01 107.32 106.71 1trv s GLY 87 Ca 0.00 1.74 -0.33 0.00 0.00 0.00 0.00 44.72 46.13 1trv s GLY 87 CO 0.11 0.58 1.13 -1.83 0.00 0.00 0.00 173.10 173.09 1trv s GLU 88 N -2.21 0.44 -0.15 2.90 -1.05 -1.26 0.08 118.70 117.46 1trv s GLU 88 Ca 0.11 -0.17 -0.30 0.00 -0.15 0.00 0.00 54.97 54.46 1trv s GLU 88 Cb -0.01 0.20 0.13 0.00 -0.44 0.00 0.00 34.13 34.02 1trv s GLU 88 CO -0.03 -0.19 1.04 -0.59 0.95 0.00 0.00 175.26 176.43 1trv s PHE 89 N -2.60 -0.30 0.00 4.83 -0.12 -0.88 -4.99 117.98 113.92 1trv s PHE 89 Ca 0.08 0.42 0.07 0.00 -0.05 0.00 0.00 56.93 57.45 1trv s PHE 89 Cb -0.01 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.84 1trv s PHE 89 CO -0.06 -0.33 -0.22 -1.54 -0.05 0.00 0.00 175.22 173.03 1trv s SER 90 N -1.51 3.47 0.00 1.98 1.04 -1.26 -2.18 113.70 115.23 1trv s SER 90 Ca 0.02 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1trv s SER 90 Cb -0.01 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.61 1trv s SER 90 CO -0.02 0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.11 1trv n GLY 91 N 2.07 4.06 1.38 7.32 0.00 -1.20 -4.96 105.19 113.87 1trv n GLY 91 Ca -0.16 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 45.52 1trv n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1trv n ALA 92 N -1.12 3.65 -3.32 4.61 0.00 -1.26 -4.64 120.51 118.43 1trv n ALA 92 Ca 0.00 -0.03 -0.44 0.00 0.00 0.00 0.00 53.44 52.97 1trv n ALA 92 Cb 0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.44 1trv n ALA 92 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1trv n ASN 93 N 1.23 5.53 0.25 0.00 4.05 -1.26 -4.84 115.26 120.21 1trv n ASN 93 Ca 0.01 -3.10 0.12 0.00 0.45 0.00 0.00 54.58 52.06 1trv n ASN 93 Cb 0.50 -1.33 0.75 0.00 1.23 0.00 0.00 39.78 40.93 1trv n ASN 93 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1trv h LYS 94 N 6.41 0.00 -0.09 1.20 -0.00 -1.98 -0.40 116.57 121.72 1trv h LYS 94 Ca 0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.74 1trv h LYS 94 Cb 0.83 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.05 1trv h LYS 94 CO 1.05 0.00 -0.37 0.93 -0.00 0.00 0.00 179.45 181.06 1trv h GLU 95 N 0.00 0.17 -0.08 0.07 5.08 -1.98 -2.52 114.58 115.32 1trv h GLU 95 Ca 0.03 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1trv h GLU 95 Cb 0.12 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1trv h GLU 95 CO -0.00 0.52 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.23 1trv h LYS 96 N 0.15 0.11 -0.87 2.33 3.64 -1.47 -1.90 116.57 118.55 1trv h LYS 96 Ca 0.02 -0.02 0.23 0.00 -1.27 0.00 0.00 60.65 59.61 1trv h LYS 96 Cb 0.72 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 1trv h LYS 96 CO 0.05 0.20 0.60 -0.07 -2.27 0.00 0.00 179.45 177.97 1trv h LEU 97 N 0.11 0.19 0.53 5.20 3.38 -1.48 0.52 115.31 123.77 1trv h LEU 97 Ca 0.03 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1trv h LEU 97 Cb 0.22 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1trv h LEU 97 CO 0.01 0.07 -0.26 -0.08 0.09 0.00 0.00 178.44 178.28 1trv h GLU 98 N 0.18 -0.69 -0.30 1.13 4.81 -1.50 0.27 114.58 118.48 1trv h GLU 98 Ca 0.44 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.78 1trv h GLU 98 Cb 1.42 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.95 1trv h GLU 98 CO -0.09 -0.46 0.21 0.00 -0.73 0.00 0.00 179.01 177.94 1trv h ALA 99 N -1.61 2.14 -0.17 2.92 0.00 -1.53 -1.83 119.26 119.18 1trv h ALA 99 Ca -0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1trv h ALA 99 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1trv h ALA 99 CO 0.12 -0.21 -0.33 1.15 0.00 0.00 0.00 179.25 179.99 1trv h THR 100 N 0.12 1.35 -0.61 0.00 2.02 -0.70 -3.00 112.91 112.09 1trv h THR 100 Ca 0.14 -1.57 0.03 0.00 0.77 0.00 0.00 66.41 65.77 1trv h THR 100 Cb 0.40 1.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 1trv h THR 100 CO -0.02 0.48 0.40 0.40 0.37 0.00 0.00 175.52 177.15 1trv h ILE 101 N 0.16 1.09 0.00 3.11 2.04 0.36 0.42 117.51 124.70 1trv h ILE 101 Ca 0.01 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1trv h ILE 101 Cb 0.92 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1trv h ILE 101 CO 0.07 0.13 0.00 -3.20 0.00 0.00 0.00 178.15 175.16 1trv n ASN 102 N -4.46 0.00 -0.03 1.72 2.85 -0.95 -2.02 115.26 112.37 1trv n ASN 102 Ca 0.07 -0.73 -0.07 0.00 -0.11 0.00 0.00 54.58 53.74 1trv n ASN 102 Cb 0.11 -0.03 -0.06 0.00 1.24 0.00 0.00 39.78 41.04 1trv n ASN 102 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1trv h GLU 103 N 0.00 -0.05 -0.44 1.20 4.81 -0.01 -3.35 114.58 116.74 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1trv h GLU 103 Cb 0.03 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1trv h GLU 103 CO 0.00 0.41 0.00 1.28 -0.73 0.00 0.00 179.01 179.97 1trv n LEU 104 N -4.75 4.83 0.00 1.64 4.77 -1.22 -5.13 117.00 117.14 1trv n LEU 104 Ca -0.05 -2.92 0.01 0.00 -0.03 0.00 0.00 56.01 53.02 1trv n LEU 104 Cb 0.24 -0.61 0.08 0.00 -2.33 0.00 0.00 43.42 40.80 1trv n LEU 104 CO 0.18 0.66 0.33 0.55 -1.33 0.00 0.00 177.39 177.78