#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 0.22 -0.16 2.03 1.01 -1.26 -4.18 120.40 118.06 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 -2.51 0.06 0.00 0.00 0.00 0.00 36.38 33.94 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 -3.81 0.30 -0.02 2.72 2.20 -1.21 -5.01 119.74 114.91 1trv s LYS 3 Ca 0.37 0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 56.47 1trv s LYS 3 Cb 0.05 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 1trv s LYS 3 CO 0.18 -0.20 0.97 -1.14 -0.36 0.00 0.00 175.35 174.81 1trv s GLN 4 N 1.78 4.53 -0.09 4.03 0.74 -1.26 -1.28 119.66 128.10 1trv s GLN 4 Ca -0.06 1.39 -0.17 0.00 0.05 0.00 0.00 55.36 56.56 1trv s GLN 4 Cb -0.10 -3.48 -0.05 0.00 1.10 0.00 0.00 33.01 30.49 1trv s GLN 4 CO -0.11 -0.10 0.46 0.42 -0.55 0.00 0.00 175.29 175.41 1trv s ILE 5 N 1.20 5.15 -0.12 -2.34 -1.09 -0.56 -4.93 121.20 118.51 1trv s ILE 5 Ca 0.51 0.92 0.07 0.00 -2.23 0.00 0.00 60.65 59.92 1trv s ILE 5 Cb -0.20 -3.79 -0.24 0.00 -1.58 0.00 0.00 42.46 36.65 1trv s ILE 5 CO 0.26 0.38 0.37 -0.62 -1.23 0.00 0.00 174.94 174.10 1trv n GLU 6 N 3.27 0.68 0.00 2.79 -0.58 -1.26 -4.50 120.64 121.05 1trv n GLU 6 Ca -0.09 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1trv n GLU 6 Cb 0.52 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1trv n SER 7 N -3.13 0.00 0.09 1.62 3.41 -1.26 -4.03 113.62 110.32 1trv n SER 7 Ca -0.27 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.32 1trv n SER 7 Cb 1.06 0.00 -0.04 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 0.24 4.33 3.64 -1.93 -3.02 116.57 119.83 1trv h LYS 8 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 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 0.62 -0.17 1.15 -2.27 0.00 0.00 179.45 178.78 1trv h THR 9 N 0.00 0.63 0.00 1.00 2.02 -2.01 -1.79 112.91 112.76 1trv h THR 9 Ca -0.04 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 1trv h THR 9 Cb 1.56 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1trv h THR 9 CO 0.08 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 175.60 1trv h ALA 10 N 0.31 1.19 0.28 6.16 0.00 -1.98 -2.88 119.26 122.35 1trv h ALA 10 Ca -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1trv h ALA 10 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1trv h ALA 10 CO 0.00 0.46 -0.14 0.35 0.00 0.00 0.00 179.25 179.92 1trv h PHE 11 N 0.00 -0.37 -0.16 0.00 3.57 -1.24 0.29 116.94 119.02 1trv h PHE 11 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1trv h PHE 11 Cb 0.74 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1trv h PHE 11 CO 0.00 -0.23 0.09 1.96 -2.23 0.00 0.00 178.31 177.91 1trv h GLN 12 N -0.39 0.22 0.00 1.11 4.20 -1.29 -1.56 115.11 117.40 1trv h GLN 12 Ca -0.04 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1trv h GLN 12 Cb 0.30 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1trv h GLN 12 CO 0.06 0.21 -0.02 0.93 -0.67 0.00 0.00 178.83 179.34 1trv h GLU 13 N 0.18 0.00 -0.03 1.46 4.39 -1.33 -1.77 114.58 117.48 1trv h GLU 13 Ca 0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1trv h GLU 13 Cb 0.05 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1trv h GLU 13 CO -0.01 0.02 -0.01 0.00 -1.16 0.00 0.00 179.01 177.85 1trv h ALA 14 N 1.98 0.04 0.00 3.43 0.00 0.55 -2.42 119.26 122.84 1trv h ALA 14 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1trv h ALA 14 Cb 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1trv h ALA 14 CO 0.00 -0.25 -0.05 -0.07 0.00 0.00 0.00 179.25 178.89 1trv h LEU 15 N -0.33 0.00 -0.17 0.00 3.38 -0.87 -2.28 115.31 115.04 1trv h LEU 15 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 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 0.05 -0.26 -0.78 0.09 0.00 0.00 178.44 177.55 1trv h ASP 16 N 0.00 0.52 1.18 -0.43 1.82 -0.96 -2.95 116.42 115.60 1trv h ASP 16 Ca -0.00 -0.52 -0.01 0.00 -0.39 0.00 0.00 57.03 56.11 1trv h ASP 16 Cb 0.29 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.15 1trv h ASP 16 CO 0.01 0.94 -0.02 0.00 -1.61 0.00 0.00 179.24 178.55 1trv h ALA 17 N 0.59 1.00 0.00 -0.78 0.00 -0.99 -2.79 119.26 116.29 1trv h ALA 17 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1trv h ALA 17 Cb 0.83 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1trv h ALA 17 CO 0.06 0.03 -0.22 0.00 0.00 0.00 0.00 179.25 179.12 1trv h ALA 18 N 1.98 1.40 0.00 0.00 0.00 -1.24 -3.47 119.26 117.92 1trv h ALA 18 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1trv h ALA 18 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1trv h ALA 18 CO 0.00 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1trv n GLY 19 N -0.66 1.60 0.00 0.00 0.00 -1.06 -3.63 105.19 101.44 1trv n GLY 19 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 7.13 0.00 -4.39 1.61 8.00 -1.26 -4.63 116.55 123.01 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 0.17 0.00 -0.02 0.00 0.00 41.12 41.27 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 0.50 0.77 -1.24 1.02 -1.24 -4.48 119.74 115.07 1trv s LYS 21 Ca 0.00 0.01 -0.13 0.00 0.02 0.00 0.00 55.97 55.87 1trv s LYS 21 Cb 0.00 -1.79 0.06 0.00 -0.52 0.00 0.00 37.83 35.58 1trv s LYS 21 CO 0.00 -2.58 1.17 -1.17 -0.92 0.00 0.00 175.35 171.85 1trv s LEU 22 N -6.18 3.18 -0.28 3.17 0.20 -1.26 -4.45 118.68 113.06 1trv s LEU 22 Ca 0.68 2.22 -0.00 0.00 0.69 0.00 0.00 54.13 57.72 1trv s LEU 22 Cb -0.10 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.22 1trv s LEU 22 CO 0.54 -2.37 0.33 -0.69 -0.29 0.00 0.00 176.35 173.87 1trv s VAL 23 N -2.27 -0.48 0.56 1.68 1.01 -0.76 -3.09 120.40 117.05 1trv s VAL 23 Ca 0.70 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 1trv s VAL 23 Cb -0.25 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1trv s VAL 23 CO 0.49 -0.35 0.82 -0.69 0.00 0.00 0.00 175.10 175.36 1trv s VAL 24 N 2.43 3.05 0.01 2.92 1.01 -0.45 -0.53 120.40 128.85 1trv s VAL 24 Ca 0.10 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1trv s VAL 24 Cb -0.14 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1trv s VAL 24 CO -0.28 -0.15 0.02 -0.69 0.00 0.00 0.00 175.10 174.00 1trv s VAL 25 N -2.84 0.10 -0.23 2.92 1.01 -0.63 -2.39 120.40 118.34 1trv s VAL 25 Ca 0.55 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1trv s VAL 25 Cb -0.10 -0.30 0.05 0.00 0.00 0.00 0.00 36.38 36.02 1trv s VAL 25 CO 0.40 -0.45 -0.12 -0.62 0.00 0.00 0.00 175.10 174.31 1trv s ASP 26 N -1.39 4.01 -0.62 3.32 2.15 -1.01 -2.86 116.67 120.26 1trv s ASP 26 Ca -0.15 -1.17 -0.14 0.00 0.43 0.00 0.00 52.55 51.52 1trv s ASP 26 Cb -0.09 -1.46 0.16 0.00 -0.30 0.00 0.00 42.92 41.22 1trv s ASP 26 CO -0.00 -0.15 0.56 -0.36 -0.17 0.00 0.00 175.17 175.04 1trv s PHE 27 N 1.20 3.43 0.10 -5.34 0.40 0.13 -0.88 117.98 117.02 1trv s PHE 27 Ca -0.05 -1.63 0.01 0.00 -0.60 0.00 0.00 56.93 54.65 1trv s PHE 27 Cb -0.18 -3.74 0.01 0.00 0.51 0.00 0.00 43.02 39.61 1trv s PHE 27 CO -0.07 -1.00 0.05 0.43 0.70 0.00 0.00 175.22 175.33 1trv n SER 28 N 4.76 1.58 -3.75 1.36 7.64 -1.13 -1.70 113.62 122.38 1trv n SER 28 Ca -0.04 -1.36 -0.26 0.00 1.01 0.00 0.00 58.87 58.22 1trv n SER 28 Cb 0.42 0.01 -0.17 0.00 -1.01 0.00 0.00 64.21 63.47 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 -2.15 0.87 0.03 -0.43 0.00 -1.26 -2.80 121.76 116.02 1trv s ALA 29 Ca 0.04 -0.46 -0.23 0.00 0.00 0.00 0.00 51.96 51.31 1trv s ALA 29 Cb -0.00 -1.00 -0.16 0.00 0.00 0.00 0.00 23.12 21.95 1trv s ALA 29 CO 0.02 -0.89 1.39 0.00 0.00 0.00 0.00 175.76 176.29 1trv h THR 30 N 6.43 1.31 -0.22 0.00 1.03 -1.95 -2.52 112.91 116.99 1trv h THR 30 Ca -0.18 -0.99 0.06 0.00 -0.01 0.00 0.00 66.41 65.29 1trv h THR 30 Cb 1.12 1.80 -0.01 0.00 -1.07 0.00 0.00 68.15 70.00 1trv h THR 30 CO 0.31 0.28 0.37 4.11 -0.01 0.00 0.00 175.52 180.58 1trv h TRP 31 N -0.19 0.00 -3.56 0.00 5.08 -2.01 -3.41 115.95 111.87 1trv h TRP 31 Ca 0.02 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.49 1trv h TRP 31 Cb 0.45 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.63 1trv h TRP 31 CO 0.06 0.00 0.08 0.00 -1.28 0.00 0.00 178.44 177.30 1trv n GLY 33 N -1.72 -0.56 0.18 0.00 0.00 -1.26 -4.01 105.19 97.81 1trv n GLY 33 Ca 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.27 0.19 0.00 1.61 0.11 -1.96 0.31 132.00 131.99 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 0.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1trv h PRO 34 CO 0.00 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 177.92 1trv n LYS 36 N -1.95 0.68 0.00 0.00 4.81 0.85 -4.08 118.16 118.48 1trv n LYS 36 Ca 0.01 0.04 0.09 0.00 -0.87 0.00 0.00 58.31 57.57 1trv n LYS 36 Cb 0.09 -1.58 0.52 0.00 0.02 0.00 0.00 35.03 34.09 1trv n LYS 36 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1trv n MET 37 N -2.77 0.48 -0.22 1.64 1.56 0.25 -2.07 117.12 116.00 1trv n MET 37 Ca -0.27 0.04 0.12 0.00 -0.27 0.00 0.00 57.70 57.31 1trv n MET 37 Cb 1.08 -1.50 0.24 0.00 2.15 0.00 0.00 33.22 35.20 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1trv n ILE 38 N -1.09 0.57 0.08 1.12 5.41 -1.20 -4.32 119.36 119.94 1trv n ILE 38 Ca 0.12 -0.76 -0.04 0.00 1.00 0.00 0.00 62.75 63.07 1trv n ILE 38 Cb 0.09 0.86 -0.07 0.00 -0.71 0.00 0.00 39.64 39.80 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 4.32 0.00 0.00 0.38 2.10 -1.66 -3.17 116.57 118.54 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 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1trv h LYS 39 CO 0.00 0.82 0.00 -0.35 -2.00 0.00 0.00 179.45 177.92 1trv n PRO 40 N -3.30 0.17 -0.07 0.07 -0.05 -1.26 -1.01 135.00 129.55 1trv n PRO 40 Ca 0.00 0.44 -0.06 0.00 -0.05 0.00 0.00 63.50 63.83 1trv n PRO 40 Cb 0.88 -1.85 -0.04 0.00 -0.05 0.00 0.00 33.50 32.44 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 -0.30 0.54 0.04 -1.84 -3.09 116.94 112.30 1trv h PHE 41 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1trv h PHE 41 Cb 0.29 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1trv h PHE 41 CO 0.00 0.30 0.19 0.35 -0.60 0.00 0.00 178.31 178.55 1trv h PHE 42 N -1.00 0.39 0.00 -0.55 3.57 -1.54 -2.18 116.94 115.63 1trv h PHE 42 Ca -0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1trv h PHE 42 Cb 0.50 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1trv h PHE 42 CO -0.05 0.27 -0.10 1.25 -2.23 0.00 0.00 178.31 177.44 1trv h HIS 43 N 0.40 0.00 -0.14 0.41 2.76 -1.26 -1.81 115.15 115.51 1trv h HIS 43 Ca 0.11 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.18 1trv h HIS 43 Cb -0.02 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1trv h HIS 43 CO -0.05 0.10 -0.34 0.66 -1.30 0.00 0.00 177.93 177.00 1trv h SER 44 N 0.00 0.28 -0.50 3.26 4.64 -1.30 -2.51 113.55 117.41 1trv h SER 44 Ca -0.00 -0.10 0.07 0.00 -0.47 0.00 0.00 61.79 61.29 1trv h SER 44 Cb 0.21 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 1trv h SER 44 CO 0.01 0.61 0.34 -0.07 -0.87 0.00 0.00 176.83 176.85 1trv h LEU 45 N 0.24 0.33 -0.91 5.97 3.38 -1.18 -1.69 115.31 121.44 1trv h LEU 45 Ca 0.03 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.19 1trv h LEU 45 Cb 0.72 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.29 1trv h LEU 45 CO 0.05 0.21 0.47 0.28 0.09 0.00 0.00 178.44 179.55 1trv h SER 46 N 0.37 0.53 1.18 -0.43 0.02 -1.52 0.45 113.55 114.15 1trv h SER 46 Ca 0.22 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1trv h SER 46 Cb 0.40 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1trv h SER 46 CO -0.06 0.15 -0.76 -0.33 -1.14 0.00 0.00 176.83 174.70 1trv h GLU 47 N 0.58 0.00 0.00 3.45 5.08 -1.48 -3.33 114.58 118.88 1trv h GLU 47 Ca 0.53 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.73 1trv h GLU 47 Cb 0.88 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1trv h GLU 47 CO -0.43 0.00 -1.00 -0.22 -1.00 0.00 0.00 179.01 176.36 1trv h LYS 48 N 0.00 0.00 -2.57 2.33 1.63 -0.55 -3.39 116.57 114.02 1trv h LYS 48 Ca 0.00 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.20 1trv h LYS 48 Cb 0.97 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.20 1trv h LYS 48 CO 0.00 0.50 -0.78 0.66 -3.45 0.00 0.00 179.45 176.38 1trv n TYR 49 N -3.11 1.47 0.77 1.91 4.01 0.14 -4.91 117.16 117.44 1trv n TYR 49 Ca -0.04 -3.86 0.07 0.00 -0.16 0.00 0.00 57.90 53.91 1trv n TYR 49 Cb 0.83 -0.29 0.38 0.00 -0.31 0.00 0.00 39.34 39.95 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 2.00 0.00 -1.23 7.72 3.41 -1.25 -1.65 113.62 122.62 1trv n SER 50 Ca 0.25 -0.20 0.11 0.00 -0.26 0.00 0.00 58.87 58.77 1trv n SER 50 Cb 0.43 -0.13 0.29 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.13 3.57 -4.13 4.04 5.15 -1.26 -4.90 115.26 116.59 1trv n ASN 51 Ca 0.09 -2.00 -0.19 0.00 -0.60 0.00 0.00 54.58 51.88 1trv n ASN 51 Cb 0.07 -0.44 -0.13 0.00 -0.53 0.00 0.00 39.78 38.76 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 -1.12 1.03 -0.18 3.44 1.01 -0.66 -4.71 120.40 119.20 1trv s VAL 52 Ca 0.44 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1trv s VAL 52 Cb 0.23 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1trv s VAL 52 CO 0.31 -0.08 0.19 -0.63 0.00 0.00 0.00 175.10 174.89 1trv s ILE 53 N -0.96 5.37 -0.10 2.22 -1.09 -1.18 -4.83 121.20 120.63 1trv s ILE 53 Ca -0.00 0.32 0.03 0.00 -2.23 0.00 0.00 60.65 58.78 1trv s ILE 53 Cb -0.08 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 1trv s ILE 53 CO 0.01 0.43 -0.21 -0.36 -1.23 0.00 0.00 174.94 173.58 1trv s PHE 54 N 0.34 2.36 0.45 3.97 0.08 -1.26 -1.34 117.98 122.57 1trv s PHE 54 Ca 0.11 -0.99 0.07 0.00 0.12 0.00 0.00 56.93 56.24 1trv s PHE 54 Cb -0.12 -1.60 -0.01 0.00 -0.57 0.00 0.00 43.02 40.72 1trv s PHE 54 CO 0.00 -0.42 0.37 -0.51 -0.10 0.00 0.00 175.22 174.56 1trv s LEU 55 N 0.49 3.21 -0.24 -0.37 1.02 -1.01 -3.29 118.68 118.50 1trv s LEU 55 Ca -0.16 -0.89 -0.03 0.00 0.02 0.00 0.00 54.13 53.06 1trv s LEU 55 Cb -0.17 -1.79 0.10 0.00 0.02 0.00 0.00 46.19 44.35 1trv s LEU 55 CO 0.06 -0.75 0.19 -0.70 0.02 0.00 0.00 176.35 175.17 1trv s GLU 56 N -4.15 0.19 0.10 1.70 2.12 -0.41 -2.42 118.70 115.84 1trv s GLU 56 Ca 0.45 -0.11 0.03 0.00 0.36 0.00 0.00 54.97 55.70 1trv s GLU 56 Cb -0.02 -1.19 -0.04 0.00 0.26 0.00 0.00 34.13 33.14 1trv s GLU 56 CO 0.26 -0.83 0.12 0.08 -0.54 0.00 0.00 175.26 174.35 1trv s VAL 57 N 2.24 4.68 -0.20 3.70 1.01 -0.06 -1.50 120.40 130.26 1trv s VAL 57 Ca 0.07 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1trv s VAL 57 Cb -0.15 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.94 1trv s VAL 57 CO -0.22 0.06 -0.12 -0.62 0.00 0.00 0.00 175.10 174.20 1trv s ASP 58 N -2.61 3.74 0.00 3.32 2.15 -1.26 -2.83 116.67 119.18 1trv s ASP 58 Ca 0.31 -0.56 0.01 0.00 0.43 0.00 0.00 52.55 52.73 1trv s ASP 58 Cb -0.12 -1.61 0.04 0.00 -0.30 0.00 0.00 42.92 40.93 1trv s ASP 58 CO 0.23 -0.02 0.34 1.33 -0.17 0.00 0.00 175.17 176.88 1trv n VAL 59 N 4.70 0.00 -0.00 1.11 0.24 -1.12 -0.66 118.33 122.60 1trv n VAL 59 Ca -0.19 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.10 1trv n VAL 59 Cb 0.50 -0.39 -0.00 0.00 -1.47 0.00 0.00 33.84 32.48 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 -0.53 3.17 0.00 -1.34 9.92 -1.26 -4.33 116.55 122.18 1trv n ASP 60 Ca 0.00 -0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 1trv n ASP 60 Cb 0.00 -0.02 -0.13 0.00 -0.64 0.00 0.00 41.12 40.33 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 0.01 -1.08 -2.24 1.82 -1.86 -3.36 116.42 109.70 1trv h ASP 61 Ca -0.02 -0.02 -0.58 0.00 -0.39 0.00 0.00 57.03 56.02 1trv h ASP 61 Cb 1.03 -0.00 -0.41 0.00 0.68 0.00 0.00 39.33 40.63 1trv h ASP 61 CO -0.01 1.02 -0.56 0.00 -1.61 0.00 0.00 179.24 178.08 1trv n ALA 62 N -2.50 5.22 0.24 -0.78 0.00 0.17 -4.78 120.51 118.07 1trv n ALA 62 Ca -0.12 -3.96 0.12 0.00 0.00 0.00 0.00 53.44 49.48 1trv n ALA 62 Cb 1.02 -0.59 0.66 0.00 0.00 0.00 0.00 19.45 20.54 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 2.34 0.00 -0.33 0.00 4.20 -1.72 0.45 115.11 120.05 1trv h GLN 63 Ca 0.38 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.91 1trv h GLN 63 Cb 1.20 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 1trv h GLN 63 CO 0.89 0.00 -0.48 0.38 -0.67 0.00 0.00 178.83 178.95 1trv h ASP 64 N 0.00 0.98 0.76 1.46 2.03 -1.90 -2.27 116.42 117.47 1trv h ASP 64 Ca 0.00 -0.49 -0.24 0.00 -0.73 0.00 0.00 57.03 55.57 1trv h ASP 64 Cb 0.41 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.62 1trv h ASP 64 CO 0.00 1.29 -1.11 0.58 -1.03 0.00 0.00 179.24 178.97 1trv h VAL 65 N 0.71 1.58 -0.58 4.15 2.07 -1.24 -3.16 116.25 119.78 1trv h VAL 65 Ca 0.04 -3.14 -0.02 0.00 0.82 0.00 0.00 66.70 64.39 1trv h VAL 65 Cb 1.08 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 33.67 1trv h VAL 65 CO 0.11 0.91 0.27 0.00 0.02 0.00 0.00 177.57 178.87 1trv h ALA 66 N 0.78 0.74 0.00 1.67 0.00 -1.39 -1.66 119.26 119.40 1trv h ALA 66 Ca -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 66 Cb 1.84 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1trv h ALA 66 CO 0.17 0.32 -0.17 1.03 0.00 0.00 0.00 179.25 180.60 1trv h SER 67 N 0.78 0.00 0.65 0.00 0.87 -1.46 0.33 113.55 114.72 1trv h SER 67 Ca 0.20 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1trv h SER 67 Cb 0.14 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1trv h SER 67 CO -0.02 0.17 -0.31 -0.08 -0.53 0.00 0.00 176.83 176.05 1trv h GLU 68 N 0.00 -0.84 -0.00 2.24 4.57 -1.26 -1.96 114.58 117.32 1trv h GLU 68 Ca -0.00 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1trv h GLU 68 Cb 0.39 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1trv h GLU 68 CO 0.02 -0.56 -0.01 0.00 -1.18 0.00 0.00 179.01 177.28 1trv n ALA 69 N -2.47 2.66 -3.38 2.92 0.00 -1.12 -4.93 120.51 114.19 1trv n ALA 69 Ca -0.13 -0.25 -0.13 0.00 0.00 0.00 0.00 53.44 52.93 1trv n ALA 69 Cb 0.36 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.80 -1.43 -2.83 0.00 1.02 0.07 -4.88 120.64 111.80 1trv n GLU 70 Ca 0.22 1.09 -0.43 0.00 -0.02 0.00 0.00 57.16 58.01 1trv n GLU 70 Cb 0.18 -4.53 -0.04 0.00 -0.02 0.00 0.00 31.44 27.03 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 -3.09 4.49 -0.66 2.62 1.01 -0.98 -4.86 120.40 118.93 1trv s VAL 71 Ca 0.10 0.77 0.14 0.00 0.00 0.00 0.00 61.98 63.00 1trv s VAL 71 Cb -0.03 -4.42 0.44 0.00 0.00 0.00 0.00 36.38 32.37 1trv s VAL 71 CO 0.81 -0.80 1.37 0.29 0.00 0.00 0.00 175.10 176.76 1trv n LYS 72 N 7.11 3.00 -3.19 2.72 5.02 -1.26 -4.87 118.16 126.69 1trv n LYS 72 Ca 0.06 -2.46 0.01 0.00 -2.02 0.00 0.00 58.31 53.90 1trv n LYS 72 Cb 0.48 -1.57 -0.02 0.00 -0.02 0.00 0.00 35.03 33.91 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 -1.81 -2.04 0.13 7.82 0.00 -1.26 -5.16 121.76 119.44 1trv s ALA 73 Ca 0.34 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.61 1trv s ALA 73 Cb 0.23 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1trv s ALA 73 CO 0.14 -1.53 0.21 0.95 0.00 0.00 0.00 175.76 175.53 1trv s THR 74 N 2.77 5.02 0.77 0.00 -4.23 -1.26 -4.19 115.64 114.53 1trv s THR 74 Ca 0.15 -0.76 -0.11 0.00 -1.18 0.00 0.00 61.69 59.79 1trv s THR 74 Cb -0.13 -3.54 0.06 0.00 1.34 0.00 0.00 72.50 70.22 1trv s THR 74 CO -0.23 -0.04 1.10 -2.16 -0.54 0.00 0.00 174.62 172.75 1trv s PRO 75 N -3.00 2.28 -0.06 3.99 0.04 -1.26 -4.90 135.00 132.09 1trv s PRO 75 Ca 0.33 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.86 1trv s PRO 75 Cb -0.11 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.51 1trv s PRO 75 CO 0.26 -1.47 0.27 0.99 0.04 0.00 0.00 177.00 177.09 1trv s THR 76 N -3.21 0.03 0.04 1.26 2.01 -0.69 -3.24 115.64 111.85 1trv s THR 76 Ca 0.60 -0.25 0.09 0.00 0.31 0.00 0.00 61.69 62.44 1trv s THR 76 Cb -0.14 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 1trv s THR 76 CO 0.54 -0.14 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.72 1trv s PHE 77 N -0.53 2.17 0.04 4.92 0.40 -0.94 -0.69 117.98 123.36 1trv s PHE 77 Ca -0.06 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1trv s PHE 77 Cb -0.04 -1.30 -0.02 0.00 0.51 0.00 0.00 43.02 42.17 1trv s PHE 77 CO 0.02 0.11 -0.17 -0.65 0.70 0.00 0.00 175.22 175.23 1trv s GLN 78 N -1.20 1.12 -0.33 0.44 -0.21 -1.13 -2.10 119.66 116.24 1trv s GLN 78 Ca 0.11 -0.82 -0.07 0.00 0.02 0.00 0.00 55.36 54.60 1trv s GLN 78 Cb -0.10 -1.17 0.03 0.00 1.00 0.00 0.00 33.01 32.78 1trv s GLN 78 CO 0.02 0.29 0.10 -0.06 -2.12 0.00 0.00 175.29 173.53 1trv s PHE 79 N -0.81 3.23 0.17 0.91 0.40 0.12 -1.60 117.98 120.41 1trv s PHE 79 Ca 0.04 -1.29 0.06 0.00 -0.60 0.00 0.00 56.93 55.14 1trv s PHE 79 Cb -0.08 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1trv s PHE 79 CO 0.01 -0.69 0.07 -0.06 0.70 0.00 0.00 175.22 175.25 1trv s PHE 80 N 1.43 2.99 -0.18 0.36 0.08 0.31 -1.66 117.98 121.32 1trv s PHE 80 Ca -0.00 -0.08 -0.08 0.00 0.12 0.00 0.00 56.93 56.88 1trv s PHE 80 Cb -0.19 -1.44 0.07 0.00 -0.57 0.00 0.00 43.02 40.89 1trv s PHE 80 CO 0.03 0.52 0.41 0.21 -0.10 0.00 0.00 175.22 176.29 1trv s LYS 81 N -3.06 0.37 -1.22 0.44 2.47 -0.27 -1.84 119.74 116.63 1trv s LYS 81 Ca 0.29 0.86 0.00 0.00 -1.56 0.00 0.00 55.97 55.56 1trv s LYS 81 Cb -0.10 0.08 0.00 0.00 -1.46 0.00 0.00 37.83 36.35 1trv s LYS 81 CO 0.21 -0.19 0.00 1.63 0.16 0.00 0.00 175.35 177.16 1trv n LYS 82 N 4.62 -1.63 -1.73 4.03 5.02 -1.26 0.10 118.16 127.31 1trv n LYS 82 Ca -0.19 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1trv n LYS 82 Cb 0.53 -5.05 0.00 0.00 -0.02 0.00 0.00 35.03 30.49 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 -0.45 0.41 2.86 0.72 0.00 -1.26 -5.04 105.19 102.43 1trv n GLY 83 Ca -0.13 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.48 1.03 0.05 1.61 -1.52 0.28 -5.11 119.66 112.52 1trv s GLN 84 Ca 0.00 -0.10 -0.31 0.00 -1.95 0.00 0.00 55.36 53.01 1trv s GLN 84 Cb 0.00 -1.15 -0.08 0.00 -0.22 0.00 0.00 33.01 31.56 1trv s GLN 84 CO 0.00 -0.21 1.61 0.21 -0.25 0.00 0.00 175.29 176.65 1trv s LYS 85 N 1.50 4.21 0.00 2.91 2.20 -1.26 -1.11 119.74 128.19 1trv s LYS 85 Ca -0.01 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 1trv s LYS 85 Cb -0.13 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1trv s LYS 85 CO -0.04 -0.71 0.00 1.33 -0.36 0.00 0.00 175.35 175.57 1trv n VAL 86 N 4.73 0.00 -3.56 4.02 0.24 -0.66 -4.94 118.33 118.15 1trv n VAL 86 Ca 0.15 -0.46 -0.06 0.00 -2.04 0.00 0.00 64.34 61.93 1trv n VAL 86 Cb 0.41 0.97 -0.02 0.00 -1.47 0.00 0.00 33.84 33.72 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 -1.06 -0.34 -0.10 7.63 0.00 -1.17 -5.02 107.32 107.27 1trv s GLY 87 Ca 0.00 1.47 -0.32 0.00 0.00 0.00 0.00 44.72 45.87 1trv s GLY 87 CO 0.00 0.52 1.16 -1.83 0.00 0.00 0.00 173.10 172.95 1trv s GLU 88 N -2.51 0.47 -0.10 2.90 -1.05 -1.26 0.14 118.70 117.28 1trv s GLU 88 Ca 0.07 -0.20 -0.31 0.00 -0.15 0.00 0.00 54.97 54.38 1trv s GLU 88 Cb -0.01 0.19 0.12 0.00 -0.44 0.00 0.00 34.13 34.00 1trv s GLU 88 CO -0.06 -0.21 1.02 -0.59 0.95 0.00 0.00 175.26 176.38 1trv s PHE 89 N -2.59 -0.27 -0.01 4.83 -0.12 -0.89 -4.99 117.98 113.93 1trv s PHE 89 Ca 0.10 0.25 0.07 0.00 -0.05 0.00 0.00 56.93 57.30 1trv s PHE 89 Cb 0.00 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.89 1trv s PHE 89 CO -0.05 -0.38 -0.21 -1.54 -0.05 0.00 0.00 175.22 172.99 1trv s SER 90 N -2.06 2.49 0.00 1.98 1.04 -1.26 -2.21 113.70 113.69 1trv s SER 90 Ca 0.05 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1trv s SER 90 Cb -0.01 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.84 1trv s SER 90 CO -0.06 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1trv n GLY 91 N 2.51 4.06 1.54 7.32 0.00 -1.20 -4.97 105.19 114.44 1trv n GLY 91 Ca -0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.02 4.17 -3.36 4.61 0.00 -1.26 -4.69 120.51 118.95 1trv n ALA 92 Ca 0.00 -0.14 -0.45 0.00 0.00 0.00 0.00 53.44 52.85 1trv n ALA 92 Cb 0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 1trv n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1trv s ASN 93 N 1.98 6.95 0.45 0.00 3.84 -1.26 -4.87 114.94 122.03 1trv s ASN 93 Ca 0.05 -3.18 0.12 0.00 0.21 0.00 0.00 52.86 50.05 1trv s ASN 93 Cb 0.02 -2.18 1.03 0.00 -0.55 0.00 0.00 41.25 39.57 1trv s ASN 93 CO -0.00 -0.41 2.07 0.07 -2.79 0.00 0.00 177.10 176.04 1trv h LYS 94 N 7.14 0.33 -0.03 0.43 2.10 -1.98 -0.70 116.57 123.87 1trv h LYS 94 Ca 0.14 -0.02 -0.08 0.00 -2.00 0.00 0.00 60.65 58.69 1trv h LYS 94 Cb 0.95 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 32.19 1trv h LYS 94 CO 0.88 0.22 -0.37 0.93 -2.00 0.00 0.00 179.45 179.11 1trv h GLU 95 N 0.34 0.06 -0.16 0.07 5.08 -1.99 -2.51 114.58 115.47 1trv h GLU 95 Ca 0.13 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1trv h GLU 95 Cb 0.10 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1trv h GLU 95 CO -0.03 0.42 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.13 1trv h LYS 96 N 0.05 0.24 -0.88 2.33 3.64 -1.53 -2.04 116.57 118.39 1trv h LYS 96 Ca 0.00 -0.04 0.21 0.00 -1.27 0.00 0.00 60.65 59.55 1trv h LYS 96 Cb 0.68 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.40 1trv h LYS 96 CO 0.05 0.31 0.59 -0.07 -2.27 0.00 0.00 179.45 178.07 1trv h LEU 97 N 0.24 0.30 0.48 5.20 3.38 -1.44 0.68 115.31 124.15 1trv h LEU 97 Ca 0.05 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1trv h LEU 97 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1trv h LEU 97 CO 0.01 0.12 -0.23 -0.08 0.09 0.00 0.00 178.44 178.35 1trv h GLU 98 N 0.30 -0.62 -0.24 1.13 4.81 -1.52 0.13 114.58 118.57 1trv h GLU 98 Ca 0.45 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.79 1trv h GLU 98 Cb 1.27 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 1trv h GLU 98 CO -0.13 -0.42 0.20 0.00 -0.73 0.00 0.00 179.01 177.93 1trv h ALA 99 N -1.65 2.06 -0.12 2.92 0.00 -1.54 -1.63 119.26 119.30 1trv h ALA 99 Ca -0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1trv h ALA 99 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1trv h ALA 99 CO 0.11 -0.32 -0.28 1.15 0.00 0.00 0.00 179.25 179.91 1trv h THR 100 N 0.00 1.38 -0.56 0.00 2.02 -0.59 -2.98 112.91 112.18 1trv h THR 100 Ca 0.11 -1.57 0.03 0.00 0.77 0.00 0.00 66.41 65.75 1trv h THR 100 Cb 0.51 2.10 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 1trv h THR 100 CO -0.00 0.46 0.37 0.40 0.37 0.00 0.00 175.52 177.12 1trv h ILE 101 N -0.02 1.07 0.00 3.11 2.04 0.22 0.44 117.51 124.36 1trv h ILE 101 Ca -0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1trv h ILE 101 Cb 0.88 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1trv h ILE 101 CO 0.06 0.12 0.00 -3.20 0.00 0.00 0.00 178.15 175.13 1trv n ASN 102 N -4.47 0.00 -0.03 1.72 2.85 -0.98 -2.26 115.26 112.09 1trv n ASN 102 Ca 0.07 -0.88 -0.06 0.00 -0.11 0.00 0.00 54.58 53.59 1trv n ASN 102 Cb 0.13 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.10 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 -0.06 -0.48 1.20 4.81 0.04 -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 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1trv h GLU 103 CO 0.00 0.31 0.00 1.28 -0.73 0.00 0.00 179.01 179.87 1trv n LEU 104 N -4.77 4.96 0.00 1.64 4.77 -1.23 -5.13 117.00 117.24 1trv n LEU 104 Ca -0.04 -2.88 0.01 0.00 -0.03 0.00 0.00 56.01 53.07 1trv n LEU 104 Cb 0.19 -0.62 0.09 0.00 -2.33 0.00 0.00 43.42 40.75 1trv n LEU 104 CO 0.15 0.67 0.33 0.55 -1.33 0.00 0.00 177.39 177.75