#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 0.00 -0.17 2.03 1.01 -1.26 -3.85 120.40 118.16 1trv s VAL 2 Ca 0.00 -1.99 -0.07 0.00 0.00 0.00 0.00 61.98 59.92 1trv s VAL 2 Cb 0.00 -2.49 0.08 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 -4.15 0.28 -0.09 2.72 2.20 -1.13 -5.00 119.74 114.56 1trv s LYS 3 Ca 0.39 0.88 -0.29 0.00 -0.36 0.00 0.00 55.97 56.59 1trv s LYS 3 Cb 0.07 0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.51 1trv s LYS 3 CO 0.12 -0.24 0.98 -1.14 -0.36 0.00 0.00 175.35 174.71 1trv s GLN 4 N 2.27 4.44 -0.22 4.03 0.74 -1.26 -1.37 119.66 128.28 1trv s GLN 4 Ca -0.03 1.36 -0.19 0.00 0.05 0.00 0.00 55.36 56.55 1trv s GLN 4 Cb -0.11 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.44 1trv s GLN 4 CO -0.11 -0.27 0.54 0.42 -0.55 0.00 0.00 175.29 175.32 1trv s ILE 5 N 1.84 5.08 -0.09 -2.34 -1.09 -0.88 -4.93 121.20 118.78 1trv s ILE 5 Ca 0.48 0.97 0.15 0.00 -2.23 0.00 0.00 60.65 60.02 1trv s ILE 5 Cb -0.19 -3.85 -0.21 0.00 -1.58 0.00 0.00 42.46 36.63 1trv s ILE 5 CO 0.19 0.14 0.59 -0.62 -1.23 0.00 0.00 174.94 174.01 1trv n GLU 6 N 5.06 0.64 -0.10 2.79 1.02 -1.26 -4.54 120.64 124.25 1trv n GLU 6 Ca -0.04 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1trv n GLU 6 Cb 0.50 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.12 1.62 3.41 -1.26 -4.31 113.62 110.28 1trv n SER 7 Ca -0.17 -0.09 0.03 0.00 -0.26 0.00 0.00 58.87 58.37 1trv n SER 7 Cb 1.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.95 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 -0.05 4.33 3.64 -1.94 -3.17 116.57 119.38 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 0.40 -0.02 1.15 -2.27 0.00 0.00 179.45 178.71 1trv h THR 9 N 0.00 0.93 -0.08 1.00 2.02 -2.00 -1.31 112.91 113.47 1trv h THR 9 Ca -0.04 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 1trv h THR 9 Cb 1.39 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1trv h THR 9 CO 0.05 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 175.52 1trv h ALA 10 N 1.03 1.14 -0.01 6.16 0.00 -1.98 -2.55 119.26 123.05 1trv h ALA 10 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1trv h ALA 10 Cb 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1trv h ALA 10 CO -0.06 0.59 -0.00 0.35 0.00 0.00 0.00 179.25 180.12 1trv h PHE 11 N 0.14 -0.01 0.01 0.00 3.57 -1.35 0.34 116.94 119.65 1trv h PHE 11 Ca 0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1trv h PHE 11 Cb 0.82 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1trv h PHE 11 CO 0.01 -0.00 -0.00 1.96 -2.23 0.00 0.00 178.31 178.04 1trv h GLN 12 N -0.00 -0.01 0.00 1.11 1.08 -1.18 -2.06 115.11 114.05 1trv h GLN 12 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1trv h GLN 12 Cb 0.01 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1trv h GLN 12 CO -0.01 0.16 -0.01 0.93 -0.95 0.00 0.00 178.83 178.96 1trv h GLU 13 N -0.19 0.00 -0.06 1.46 5.08 -1.29 -1.81 114.58 117.77 1trv h GLU 13 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1trv h GLU 13 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1trv h GLU 13 CO 0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 179.01 178.00 1trv h ALA 14 N 1.99 0.08 0.00 3.43 0.00 0.37 -1.69 119.26 123.44 1trv h ALA 14 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 14 Cb 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1trv h ALA 14 CO 0.00 -0.20 -0.14 -0.07 0.00 0.00 0.00 179.25 178.84 1trv h LEU 15 N -0.25 0.00 -0.24 0.00 3.38 -0.97 -1.98 115.31 115.26 1trv h LEU 15 Ca 0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1trv h LEU 15 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1trv h LEU 15 CO 0.01 0.14 -0.47 -0.78 0.09 0.00 0.00 178.44 177.43 1trv h ASP 16 N 0.00 0.82 0.90 -0.43 1.82 -1.01 -3.00 116.42 115.51 1trv h ASP 16 Ca -0.00 -0.54 -0.06 0.00 -0.39 0.00 0.00 57.03 56.03 1trv h ASP 16 Cb 0.39 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 1trv h ASP 16 CO 0.02 1.21 -0.31 0.00 -1.61 0.00 0.00 179.24 178.55 1trv h ALA 17 N 0.63 1.00 -0.61 -0.78 0.00 -0.82 -2.99 119.26 115.69 1trv h ALA 17 Ca 0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1trv h ALA 17 Cb 1.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1trv h ALA 17 CO 0.10 0.38 0.09 0.00 0.00 0.00 0.00 179.25 179.83 1trv h ALA 18 N 1.69 1.01 0.00 0.00 0.00 -1.24 -3.47 119.26 117.26 1trv h ALA 18 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1trv h ALA 18 Cb 0.84 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1trv h ALA 18 CO 0.04 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1trv n GLY 19 N -0.65 2.26 0.00 0.00 0.00 -1.13 -2.92 105.19 102.75 1trv n GLY 19 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1trv n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1trv n ASP 20 N 6.06 0.00 -4.81 1.61 2.03 -1.26 -4.52 116.55 115.66 1trv n ASP 20 Ca 0.00 -1.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.00 1trv n ASP 20 Cb 0.00 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.47 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1trv s LYS 21 N 0.00 2.58 0.82 -0.67 1.02 -1.15 -4.63 119.74 117.71 1trv s LYS 21 Ca 0.00 0.82 -0.12 0.00 0.02 0.00 0.00 55.97 56.70 1trv s LYS 21 Cb 0.00 -1.96 0.09 0.00 -0.52 0.00 0.00 37.83 35.44 1trv s LYS 21 CO 0.00 -1.32 1.16 -1.17 -0.92 0.00 0.00 175.35 173.09 1trv s LEU 22 N -5.65 3.05 -0.31 3.17 0.20 -1.26 -4.53 118.68 113.36 1trv s LEU 22 Ca 0.59 2.18 0.01 0.00 0.69 0.00 0.00 54.13 57.59 1trv s LEU 22 Cb -0.14 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.20 1trv s LEU 22 CO 0.55 -2.60 0.33 -0.69 -0.29 0.00 0.00 176.35 173.65 1trv s VAL 23 N -2.47 -0.42 0.60 1.68 1.01 -0.40 -2.84 120.40 117.55 1trv s VAL 23 Ca 0.68 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 1trv s VAL 23 Cb -0.24 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.24 1trv s VAL 23 CO 0.53 -0.46 0.87 -0.69 0.00 0.00 0.00 175.10 175.35 1trv s VAL 24 N 2.22 3.00 0.00 2.92 1.01 -0.58 -0.71 120.40 128.27 1trv s VAL 24 Ca 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1trv s VAL 24 Cb -0.14 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1trv s VAL 24 CO -0.27 -0.18 0.06 -0.69 0.00 0.00 0.00 175.10 174.02 1trv s VAL 25 N -2.96 0.08 -0.26 2.92 1.01 -0.66 -2.42 120.40 118.10 1trv s VAL 25 Ca 0.56 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.91 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 0.42 -0.36 -0.08 -0.62 0.00 0.00 0.00 175.10 174.46 1trv s ASP 26 N -1.15 4.36 -0.55 3.32 2.15 -1.04 -2.91 116.67 120.84 1trv s ASP 26 Ca -0.13 -1.42 -0.16 0.00 0.43 0.00 0.00 52.55 51.27 1trv s ASP 26 Cb -0.07 -1.48 0.13 0.00 -0.30 0.00 0.00 42.92 41.20 1trv s ASP 26 CO 0.00 -0.22 0.53 -0.36 -0.17 0.00 0.00 175.17 174.96 1trv s PHE 27 N 1.14 3.24 0.09 -5.34 0.08 -0.22 -1.57 117.98 115.41 1trv s PHE 27 Ca -0.07 -1.27 0.00 0.00 0.12 0.00 0.00 56.93 55.71 1trv s PHE 27 Cb -0.20 -3.82 0.00 0.00 -0.57 0.00 0.00 43.02 38.43 1trv s PHE 27 CO -0.06 -1.05 0.03 -1.13 -0.10 0.00 0.00 175.22 172.92 1trv n SER 28 N 5.33 1.75 -3.71 1.36 3.41 -1.15 -1.85 113.62 118.76 1trv n SER 28 Ca -0.13 -1.34 -0.25 0.00 -0.26 0.00 0.00 58.87 56.89 1trv n SER 28 Cb 0.40 0.03 -0.17 0.00 -0.26 0.00 0.00 64.21 64.21 1trv n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1trv s ALA 29 N -2.14 0.72 0.02 7.33 0.00 -1.03 -2.91 121.76 123.75 1trv s ALA 29 Ca 0.03 -0.37 -0.22 0.00 0.00 0.00 0.00 51.96 51.40 1trv s ALA 29 Cb -0.00 -0.97 -0.16 0.00 0.00 0.00 0.00 23.12 21.99 1trv s ALA 29 CO 0.02 -0.90 1.33 0.00 0.00 0.00 0.00 175.76 176.21 1trv h THR 30 N 6.43 1.35 -0.25 0.00 1.03 -1.96 -2.72 112.91 116.79 1trv h THR 30 Ca -0.17 -1.21 0.07 0.00 -0.01 0.00 0.00 66.41 65.10 1trv h THR 30 Cb 1.13 1.94 -0.01 0.00 -1.07 0.00 0.00 68.15 70.13 1trv h THR 30 CO 0.29 0.34 0.35 4.11 -0.01 0.00 0.00 175.52 180.60 1trv h TRP 31 N -0.17 0.00 -3.55 0.00 5.08 -1.95 -3.40 115.95 111.95 1trv h TRP 31 Ca 0.02 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.48 1trv h TRP 31 Cb 0.58 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.74 1trv h TRP 31 CO 0.08 0.00 0.03 0.00 -1.28 0.00 0.00 178.44 177.27 1trv n GLY 33 N -1.01 -0.64 0.16 0.00 0.00 -1.26 -4.30 105.19 98.14 1trv n GLY 33 Ca 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.28 0.14 -1.67 1.61 0.11 -1.96 -0.85 132.00 129.09 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 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1trv h PRO 34 CO 0.00 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 177.88 1trv n LYS 36 N 1.17 0.00 0.00 0.00 4.81 -0.34 -2.46 118.16 121.34 1trv n LYS 36 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1trv n LYS 36 Cb 0.34 -0.48 0.50 0.00 0.02 0.00 0.00 35.03 35.40 1trv n LYS 36 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1trv n MET 37 N -0.88 0.60 -0.22 1.64 0.00 -1.11 -2.18 117.12 114.97 1trv n MET 37 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.82 1trv n MET 37 Cb 0.00 -1.44 0.24 0.00 0.00 0.00 0.00 33.22 32.02 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1trv n ILE 38 N -0.94 0.57 0.12 3.17 5.41 -1.26 -4.30 119.36 122.13 1trv n ILE 38 Ca 0.13 -0.76 0.05 0.00 1.00 0.00 0.00 62.75 63.16 1trv n ILE 38 Cb 0.06 0.87 0.02 0.00 -0.71 0.00 0.00 39.64 39.88 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 4.35 0.00 0.00 0.38 2.10 -1.79 -3.21 116.57 118.40 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 0.30 0.00 -0.35 -2.00 0.00 0.00 179.45 177.40 1trv n PRO 40 N -3.05 0.16 -0.07 0.07 -0.05 -1.26 -1.26 135.00 129.53 1trv n PRO 40 Ca -0.01 0.34 -0.06 0.00 -0.05 0.00 0.00 63.50 63.72 1trv n PRO 40 Cb 0.70 -1.77 -0.04 0.00 -0.05 0.00 0.00 33.50 32.35 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 -0.22 0.54 -1.00 -1.84 -3.09 116.94 111.34 1trv h PHE 41 Ca 0.00 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.81 1trv h PHE 41 Cb 0.40 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.94 1trv h PHE 41 CO 0.00 0.31 0.05 0.35 -1.61 0.00 0.00 178.31 177.41 1trv h PHE 42 N -1.00 0.09 0.00 -0.55 3.57 -1.56 0.19 116.94 117.68 1trv h PHE 42 Ca -0.05 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1trv h PHE 42 Cb 0.49 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1trv h PHE 42 CO -0.05 0.03 0.00 1.25 -2.23 0.00 0.00 178.31 177.31 1trv h HIS 43 N 0.14 0.00 -0.41 0.41 2.76 -1.36 -0.97 115.15 115.73 1trv h HIS 43 Ca 0.10 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.12 1trv h HIS 43 Cb 0.09 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 1trv h HIS 43 CO -0.14 0.00 -0.32 0.66 -1.30 0.00 0.00 177.93 176.83 1trv h SER 44 N 0.00 0.96 -0.19 3.26 4.64 -0.53 -2.49 113.55 119.19 1trv h SER 44 Ca 0.00 -0.40 0.06 0.00 -0.47 0.00 0.00 61.79 60.97 1trv h SER 44 Cb 0.04 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1trv h SER 44 CO 0.00 1.19 0.21 -0.07 -0.87 0.00 0.00 176.83 177.29 1trv h LEU 45 N 0.77 0.00 -0.51 5.97 3.38 -1.12 -2.17 115.31 121.63 1trv h LEU 45 Ca 0.08 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.15 1trv h LEU 45 Cb 0.89 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.56 1trv h LEU 45 CO 0.08 0.00 -0.02 0.28 0.09 0.00 0.00 178.44 178.87 1trv h SER 46 N 0.00 -0.25 0.95 -0.43 0.02 -1.55 0.34 113.55 112.63 1trv h SER 46 Ca 0.09 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1trv h SER 46 Cb 0.51 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1trv h SER 46 CO -0.00 -0.09 -0.97 -0.62 -1.14 0.00 0.00 176.83 174.00 1trv n GLU 47 N -5.25 0.56 0.04 3.45 -0.58 -0.85 -3.85 120.64 114.16 1trv n GLU 47 Ca 0.06 0.11 -0.06 0.00 -0.42 0.00 0.00 57.16 56.84 1trv n GLU 47 Cb 0.28 -1.80 -0.11 0.00 -0.57 0.00 0.00 31.44 29.23 1trv n GLU 47 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1trv h LYS 48 N 0.00 0.00 -2.39 3.49 3.64 -1.07 -3.39 116.57 116.86 1trv h LYS 48 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 1trv h LYS 48 Cb 0.96 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.38 1trv h LYS 48 CO 0.00 0.80 -0.77 0.66 -2.27 0.00 0.00 179.45 177.87 1trv n TYR 49 N -3.24 1.91 0.88 1.91 4.01 0.11 -4.90 117.16 117.83 1trv n TYR 49 Ca -0.05 -3.92 0.06 0.00 -0.16 0.00 0.00 57.90 53.83 1trv n TYR 49 Cb 0.95 -0.40 0.39 0.00 -0.31 0.00 0.00 39.34 39.97 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 1.55 0.00 -1.42 7.72 3.41 -1.25 -1.79 113.62 121.85 1trv n SER 50 Ca 0.25 -0.47 0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1trv n SER 50 Cb 0.43 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.71 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 -0.96 4.16 -4.19 4.04 5.15 -1.26 -4.83 115.26 117.36 1trv n ASN 51 Ca 0.10 -2.17 -0.18 0.00 -0.60 0.00 0.00 54.58 51.72 1trv n ASN 51 Cb 0.04 -0.52 -0.12 0.00 -0.53 0.00 0.00 39.78 38.66 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 -1.36 1.17 -0.31 3.44 1.01 -0.74 -4.72 120.40 118.89 1trv s VAL 52 Ca 0.49 -1.44 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 1trv s VAL 52 Cb 0.28 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1trv s VAL 52 CO 0.29 -0.30 0.19 -0.63 0.00 0.00 0.00 175.10 174.65 1trv s ILE 53 N -1.58 5.05 -0.10 2.22 -1.09 -1.13 -4.54 121.20 120.03 1trv s ILE 53 Ca 0.02 -0.13 -0.01 0.00 -2.23 0.00 0.00 60.65 58.30 1trv s ILE 53 Cb -0.08 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 1trv s ILE 53 CO 0.02 0.13 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.46 1trv s PHE 54 N 1.70 3.03 0.38 3.97 0.08 -1.25 -1.52 117.98 124.37 1trv s PHE 54 Ca 0.06 0.00 0.08 0.00 0.12 0.00 0.00 56.93 57.19 1trv s PHE 54 Cb -0.17 -1.80 -0.05 0.00 -0.57 0.00 0.00 43.02 40.43 1trv s PHE 54 CO 0.09 0.29 0.11 -0.51 -0.10 0.00 0.00 175.22 175.10 1trv s LEU 55 N -0.55 3.08 -0.26 -0.37 1.02 -1.02 -2.85 118.68 117.73 1trv s LEU 55 Ca 0.09 -1.04 -0.04 0.00 0.02 0.00 0.00 54.13 53.16 1trv s LEU 55 Cb -0.12 -1.41 0.10 0.00 0.02 0.00 0.00 46.19 44.78 1trv s LEU 55 CO 0.02 -0.41 0.15 -0.70 0.02 0.00 0.00 176.35 175.43 1trv s GLU 56 N -3.82 0.19 0.06 1.70 2.12 -0.47 -2.50 118.70 115.97 1trv s GLU 56 Ca 0.38 -0.35 0.02 0.00 0.36 0.00 0.00 54.97 55.38 1trv s GLU 56 Cb 0.02 -1.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.17 1trv s GLU 56 CO 0.21 -0.94 0.11 0.08 -0.54 0.00 0.00 175.26 174.18 1trv s VAL 57 N 2.16 4.74 -0.20 3.70 1.01 -0.61 -2.07 120.40 129.14 1trv s VAL 57 Ca 0.08 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1trv s VAL 57 Cb -0.16 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1trv s VAL 57 CO -0.30 0.16 -0.12 -0.62 0.00 0.00 0.00 175.10 174.23 1trv s ASP 58 N -2.32 3.76 0.00 3.32 2.15 -1.26 -2.92 116.67 119.40 1trv s ASP 58 Ca 0.30 -0.51 0.01 0.00 0.43 0.00 0.00 52.55 52.78 1trv s ASP 58 Cb -0.12 -1.62 0.08 0.00 -0.30 0.00 0.00 42.92 40.95 1trv s ASP 58 CO 0.22 -0.01 0.37 1.33 -0.17 0.00 0.00 175.17 176.92 1trv n VAL 59 N 4.70 0.00 -0.00 1.11 0.24 -1.15 -0.65 118.33 122.58 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 -0.44 -0.00 0.00 -1.47 0.00 0.00 33.84 32.43 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 -0.57 2.88 0.06 -1.34 9.92 -1.26 -4.34 116.55 121.90 1trv n ASP 60 Ca 0.01 -0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1trv n ASP 60 Cb 0.00 -0.01 -0.06 0.00 -0.64 0.00 0.00 41.12 40.41 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 -1.06 -2.24 3.58 -1.88 -3.36 116.42 111.45 1trv h ASP 61 Ca -0.02 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.88 1trv h ASP 61 Cb 1.02 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 41.65 1trv h ASP 61 CO -0.01 0.61 -0.81 0.00 -2.88 0.00 0.00 179.24 176.16 1trv n ALA 62 N -2.36 4.90 0.25 -0.78 0.00 0.18 -4.79 120.51 117.91 1trv n ALA 62 Ca -0.07 -3.95 0.13 0.00 0.00 0.00 0.00 53.44 49.55 1trv n ALA 62 Cb 0.83 -0.45 0.68 0.00 0.00 0.00 0.00 19.45 20.51 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 2.38 0.00 -0.29 0.00 4.20 -1.72 0.28 115.11 119.98 1trv h GLN 63 Ca 0.31 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.86 1trv h GLN 63 Cb 1.26 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.04 1trv h GLN 63 CO 0.77 0.00 -0.46 0.38 -0.67 0.00 0.00 178.83 178.85 1trv h ASP 64 N 0.00 0.90 0.87 1.46 2.03 -1.91 -2.52 116.42 117.25 1trv h ASP 64 Ca 0.00 -0.52 -0.21 0.00 -0.73 0.00 0.00 57.03 55.57 1trv h ASP 64 Cb 0.44 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 38.66 1trv h ASP 64 CO 0.00 1.24 -1.01 0.58 -1.03 0.00 0.00 179.24 179.03 1trv h VAL 65 N 0.58 1.64 -0.64 4.15 2.07 -1.27 -3.18 116.25 119.60 1trv h VAL 65 Ca 0.02 -3.21 -0.02 0.00 0.82 0.00 0.00 66.70 64.31 1trv h VAL 65 Cb 1.06 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 33.59 1trv h VAL 65 CO 0.10 0.92 0.31 0.00 0.02 0.00 0.00 177.57 178.92 1trv h ALA 66 N 0.95 0.83 0.00 1.67 0.00 -1.38 -1.66 119.26 119.66 1trv h ALA 66 Ca -0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1trv h ALA 66 Cb 1.74 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1trv h ALA 66 CO 0.14 0.40 -0.20 0.77 0.00 0.00 0.00 179.25 180.36 1trv h SER 67 N 0.89 0.00 0.66 0.00 0.02 -1.49 0.12 113.55 113.75 1trv h SER 67 Ca 0.22 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 1trv h SER 67 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1trv h SER 67 CO -0.03 0.20 -0.35 -0.08 -1.14 0.00 0.00 176.83 175.43 1trv h GLU 68 N 0.00 -0.90 -0.00 3.45 4.81 -1.28 -1.91 114.58 118.74 1trv h GLU 68 Ca -0.00 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1trv h GLU 68 Cb 0.41 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1trv h GLU 68 CO 0.03 -0.60 -0.02 0.00 -0.73 0.00 0.00 179.01 177.68 1trv n ALA 69 N -2.54 2.65 -3.48 2.92 0.00 -1.13 -4.93 120.51 114.00 1trv n ALA 69 Ca -0.13 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 52.85 1trv n ALA 69 Cb 0.39 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.90 -1.60 -2.81 0.00 1.02 0.36 -4.88 120.64 111.82 1trv n GLU 70 Ca 0.20 0.70 -0.43 0.00 -0.02 0.00 0.00 57.16 57.61 1trv n GLU 70 Cb 0.20 -4.80 -0.04 0.00 -0.02 0.00 0.00 31.44 26.78 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 4.38 -0.32 2.62 1.01 -0.89 -4.84 120.40 118.98 1trv s VAL 71 Ca 0.41 0.45 0.16 0.00 0.00 0.00 0.00 61.98 63.00 1trv s VAL 71 Cb -0.11 -4.53 0.52 0.00 0.00 0.00 0.00 36.38 32.26 1trv s VAL 71 CO 0.81 -1.06 1.43 0.29 0.00 0.00 0.00 175.10 176.56 1trv n LYS 72 N 7.47 3.07 -3.20 2.72 4.76 -1.26 -4.86 118.16 126.85 1trv n LYS 72 Ca 0.03 -2.75 -0.00 0.00 -2.87 0.00 0.00 58.31 52.72 1trv n LYS 72 Cb 0.48 -1.79 -0.02 0.00 -1.84 0.00 0.00 35.03 31.85 1trv n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1trv s ALA 73 N -2.54 -1.97 0.14 7.82 0.00 -1.26 -5.16 121.76 118.80 1trv s ALA 73 Ca 0.40 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.54 1trv s ALA 73 Cb 0.31 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1trv s ALA 73 CO 0.11 -1.58 0.21 0.95 0.00 0.00 0.00 175.76 175.44 1trv s THR 74 N 2.75 4.96 0.71 0.00 -4.23 -1.26 -4.19 115.64 114.37 1trv s THR 74 Ca 0.14 -0.81 -0.11 0.00 -1.18 0.00 0.00 61.69 59.73 1trv s THR 74 Cb -0.13 -3.52 0.01 0.00 1.34 0.00 0.00 72.50 70.21 1trv s THR 74 CO -0.24 -0.06 1.07 -2.16 -0.54 0.00 0.00 174.62 172.70 1trv s PRO 75 N -3.05 2.85 0.00 3.99 0.04 -1.26 -4.95 135.00 132.62 1trv s PRO 75 Ca 0.33 0.73 -0.12 0.00 0.04 0.00 0.00 61.00 61.97 1trv s PRO 75 Cb -0.11 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1trv s PRO 75 CO 0.26 -1.10 0.25 0.99 0.04 0.00 0.00 177.00 177.44 1trv s THR 76 N -3.17 0.07 0.04 1.26 2.01 -0.77 -3.30 115.64 111.78 1trv s THR 76 Ca 0.58 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 62.05 1trv s THR 76 Cb -0.13 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 1trv s THR 76 CO 0.54 -0.33 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.61 1trv s PHE 77 N -1.60 1.53 0.02 4.92 0.40 -0.90 -1.05 117.98 121.31 1trv s PHE 77 Ca -0.12 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 55.90 1trv s PHE 77 Cb -0.05 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.55 1trv s PHE 77 CO 0.02 0.06 -0.14 -0.65 0.70 0.00 0.00 175.22 175.21 1trv s GLN 78 N -1.10 1.03 -0.35 0.44 -0.21 -1.15 -2.17 119.66 116.16 1trv s GLN 78 Ca 0.05 -0.63 -0.07 0.00 0.02 0.00 0.00 55.36 54.72 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 0.27 0.13 -0.06 -2.12 0.00 0.00 175.29 173.52 1trv s PHE 79 N -0.59 3.25 0.06 0.91 0.40 0.11 -1.66 117.98 120.47 1trv s PHE 79 Ca 0.04 -1.33 0.05 0.00 -0.60 0.00 0.00 56.93 55.08 1trv s PHE 79 Cb -0.07 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 1trv s PHE 79 CO 0.00 -0.72 -0.05 -0.06 0.70 0.00 0.00 175.22 175.09 1trv s PHE 80 N 1.43 2.88 -0.16 0.36 0.08 0.12 -2.19 117.98 120.49 1trv s PHE 80 Ca -0.01 -0.07 -0.12 0.00 0.12 0.00 0.00 56.93 56.86 1trv s PHE 80 Cb -0.19 -1.53 0.05 0.00 -0.57 0.00 0.00 43.02 40.77 1trv s PHE 80 CO 0.04 0.43 0.41 0.21 -0.10 0.00 0.00 175.22 176.20 1trv s LYS 81 N -1.97 0.43 -0.94 0.44 2.20 -0.89 -1.28 119.74 117.74 1trv s LYS 81 Ca 0.21 0.68 0.00 0.00 -0.36 0.00 0.00 55.97 56.51 1trv s LYS 81 Cb -0.11 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 1trv s LYS 81 CO 0.13 -0.11 0.00 1.63 -0.36 0.00 0.00 175.35 176.64 1trv n LYS 82 N 3.57 -1.52 -2.00 4.03 5.02 -1.26 0.86 118.16 126.85 1trv n LYS 82 Ca -0.18 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1trv n LYS 82 Cb 0.56 -4.71 0.00 0.00 -0.02 0.00 0.00 35.03 30.86 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 0.04 0.38 2.90 0.72 0.00 -1.26 -5.05 105.19 102.92 1trv n GLY 83 Ca -0.09 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 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 -4.00 0.99 -0.04 1.61 -1.52 0.25 -5.10 119.66 111.85 1trv s GLN 84 Ca 0.00 -0.14 -0.30 0.00 -1.95 0.00 0.00 55.36 52.98 1trv s GLN 84 Cb 0.00 -1.01 -0.06 0.00 -0.22 0.00 0.00 33.01 31.72 1trv s GLN 84 CO 0.00 -0.11 1.69 0.21 -0.25 0.00 0.00 175.29 176.83 1trv s LYS 85 N 1.10 4.18 -0.00 2.91 2.20 -1.26 -2.10 119.74 126.76 1trv s LYS 85 Ca -0.08 2.25 0.02 0.00 -0.36 0.00 0.00 55.97 57.79 1trv s LYS 85 Cb -0.14 -4.00 -0.02 0.00 -1.51 0.00 0.00 37.83 32.16 1trv s LYS 85 CO -0.01 -0.86 0.06 1.33 -0.36 0.00 0.00 175.35 175.51 1trv n VAL 86 N 5.47 0.00 -3.52 4.02 0.24 -0.93 -4.99 118.33 118.63 1trv n VAL 86 Ca 0.18 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.34 62.08 1trv n VAL 86 Cb 0.42 0.77 -0.04 0.00 -1.47 0.00 0.00 33.84 33.53 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 -1.59 -0.45 -0.18 7.63 0.00 -1.17 -5.02 107.32 106.54 1trv s GLY 87 Ca 0.00 1.28 -0.32 0.00 0.00 0.00 0.00 44.72 45.68 1trv s GLY 87 CO 0.07 0.61 1.15 -1.83 0.00 0.00 0.00 173.10 173.10 1trv s GLU 88 N -2.32 0.39 -0.08 2.90 -1.05 -1.26 0.09 118.70 117.37 1trv s GLU 88 Ca -0.00 -0.05 -0.31 0.00 -0.15 0.00 0.00 54.97 54.45 1trv s GLU 88 Cb -0.01 0.18 0.12 0.00 -0.44 0.00 0.00 34.13 33.98 1trv s GLU 88 CO -0.03 -0.15 1.01 -0.59 0.95 0.00 0.00 175.26 176.45 1trv s PHE 89 N -1.94 -0.27 0.04 4.83 -0.12 -0.92 -5.00 117.98 114.60 1trv s PHE 89 Ca 0.06 0.18 0.06 0.00 -0.05 0.00 0.00 56.93 57.19 1trv s PHE 89 Cb -0.01 0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 1trv s PHE 89 CO -0.04 -0.41 -0.18 -1.54 -0.05 0.00 0.00 175.22 172.99 1trv s SER 90 N -2.30 2.19 0.00 1.98 1.04 -1.26 -2.11 113.70 113.25 1trv s SER 90 Ca 0.06 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1trv s SER 90 Cb -0.01 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1trv s SER 90 CO -0.07 0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1trv n GLY 91 N 1.95 4.34 1.64 7.32 0.00 -1.21 -4.96 105.19 114.28 1trv n GLY 91 Ca -0.17 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.40 4.67 -3.38 4.61 0.00 -1.26 -4.69 120.51 119.04 1trv n ALA 92 Ca 0.00 -0.52 -0.44 0.00 0.00 0.00 0.00 53.44 52.48 1trv n ALA 92 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 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 6.99 0.47 0.00 3.04 -1.26 -4.86 114.94 121.30 1trv s ASN 93 Ca 0.19 -3.40 0.12 0.00 0.04 0.00 0.00 52.86 49.80 1trv s ASN 93 Cb 0.09 -2.16 1.08 0.00 -1.54 0.00 0.00 41.25 38.72 1trv s ASN 93 CO -0.00 -0.34 2.11 0.07 -3.04 0.00 0.00 177.10 175.90 1trv h LYS 94 N 6.83 0.25 -0.12 0.43 -0.00 -1.98 -1.35 116.57 120.63 1trv h LYS 94 Ca 0.16 -0.01 -0.09 0.00 -0.00 0.00 0.00 60.65 60.70 1trv h LYS 94 Cb 0.90 -0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 33.07 1trv h LYS 94 CO 0.93 0.16 -0.33 0.93 -0.00 0.00 0.00 179.45 181.15 1trv h GLU 95 N 0.25 0.23 -0.20 0.07 4.39 -1.99 -2.61 114.58 114.72 1trv h GLU 95 Ca 0.07 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1trv h GLU 95 Cb -0.03 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1trv h GLU 95 CO -0.01 0.53 -0.00 -0.22 -1.16 0.00 0.00 179.01 178.15 1trv h LYS 96 N 0.20 0.28 -0.89 2.33 3.64 -1.65 -1.92 116.57 118.56 1trv h LYS 96 Ca 0.03 -0.04 0.22 0.00 -1.27 0.00 0.00 60.65 59.58 1trv h LYS 96 Cb 0.68 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.40 1trv h LYS 96 CO 0.05 0.31 0.60 -0.07 -2.27 0.00 0.00 179.45 178.07 1trv h LEU 97 N 0.28 0.27 0.50 5.20 3.38 -1.47 0.62 115.31 124.08 1trv h LEU 97 Ca 0.07 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1trv h LEU 97 Cb 0.20 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1trv h LEU 97 CO 0.00 0.10 -0.24 -0.08 0.09 0.00 0.00 178.44 178.32 1trv h GLU 98 N 0.27 -0.64 -0.21 1.13 4.81 -1.49 0.20 114.58 118.65 1trv h GLU 98 Ca 0.45 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.78 1trv h GLU 98 Cb 1.33 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 1trv h GLU 98 CO -0.12 -0.43 0.16 0.00 -0.73 0.00 0.00 179.01 177.89 1trv h ALA 99 N -1.66 2.11 -0.13 2.92 0.00 -1.54 -1.84 119.26 119.12 1trv h ALA 99 Ca -0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1trv h ALA 99 Cb 0.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1trv h ALA 99 CO 0.11 -0.27 -0.30 1.15 0.00 0.00 0.00 179.25 179.94 1trv h THR 100 N 0.00 1.37 -0.63 0.00 2.02 -0.61 -2.99 112.91 112.06 1trv h THR 100 Ca 0.10 -1.59 0.04 0.00 0.77 0.00 0.00 66.41 65.72 1trv h THR 100 Cb 0.42 2.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.86 1trv h THR 100 CO -0.00 0.47 0.42 0.40 0.37 0.00 0.00 175.52 177.18 1trv h ILE 101 N 0.02 1.08 0.00 3.11 2.04 0.22 0.42 117.51 124.40 1trv h ILE 101 Ca -0.00 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1trv h ILE 101 Cb 0.91 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1trv h ILE 101 CO 0.07 0.14 0.00 -3.20 0.00 0.00 0.00 178.15 175.15 1trv n ASN 102 N -4.46 0.00 -0.02 1.72 5.15 -0.98 -2.33 115.26 114.33 1trv n ASN 102 Ca 0.08 -0.93 -0.06 0.00 -0.60 0.00 0.00 54.58 53.07 1trv n ASN 102 Cb 0.14 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.34 1trv n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1trv h GLU 103 N 0.00 -0.08 -0.46 1.20 4.57 -0.01 -3.35 114.58 116.44 1trv h GLU 103 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1trv h GLU 103 Cb 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1trv h GLU 103 CO 0.00 0.24 0.00 1.28 -1.18 0.00 0.00 179.01 179.35 1trv n LEU 104 N -4.79 4.99 0.00 1.64 4.77 -1.23 -5.13 117.00 117.24 1trv n LEU 104 Ca -0.04 -2.93 0.01 0.00 -0.03 0.00 0.00 56.01 53.02 1trv n LEU 104 Cb 0.17 -0.62 0.09 0.00 -2.33 0.00 0.00 43.42 40.73 1trv n LEU 104 CO 0.13 0.66 0.33 0.55 -1.33 0.00 0.00 177.39 177.73