#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 -0.16 2.03 1.01 -1.26 -4.08 120.40 117.94 1trv s VAL 2 Ca 0.00 -1.97 -0.06 0.00 0.00 0.00 0.00 61.98 59.96 1trv s VAL 2 Cb 0.00 -2.50 0.07 0.00 0.00 0.00 0.00 36.38 33.95 1trv s VAL 2 CO 0.00 0.00 0.33 -0.75 0.00 0.00 0.00 175.10 174.68 1trv s LYS 3 N -3.73 0.22 -0.10 2.72 2.47 -1.15 -5.01 119.74 115.16 1trv s LYS 3 Ca 0.39 0.87 -0.29 0.00 -1.56 0.00 0.00 55.97 55.38 1trv s LYS 3 Cb 0.04 0.12 -0.01 0.00 -1.46 0.00 0.00 37.83 36.52 1trv s LYS 3 CO 0.21 -0.27 0.99 -1.14 0.16 0.00 0.00 175.35 175.29 1trv s GLN 4 N 2.46 4.42 -0.18 4.03 0.74 -1.26 -1.46 119.66 128.42 1trv s GLN 4 Ca -0.00 1.36 -0.17 0.00 0.05 0.00 0.00 55.36 56.59 1trv s GLN 4 Cb -0.12 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.42 1trv s GLN 4 CO -0.10 -0.29 0.45 0.42 -0.55 0.00 0.00 175.29 175.22 1trv s ILE 5 N 1.93 5.17 -0.09 -2.34 -1.09 -0.63 -4.95 121.20 119.20 1trv s ILE 5 Ca 0.48 0.84 0.09 0.00 -2.23 0.00 0.00 60.65 59.82 1trv s ILE 5 Cb -0.18 -3.78 -0.24 0.00 -1.58 0.00 0.00 42.46 36.68 1trv s ILE 5 CO 0.18 0.25 0.47 -0.62 -1.23 0.00 0.00 174.94 173.99 1trv n GLU 6 N 4.35 0.67 0.00 2.79 -0.58 -1.26 -4.45 120.64 122.16 1trv n GLU 6 Ca -0.07 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1trv n GLU 6 Cb 0.51 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 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 -3.10 0.00 0.09 1.62 3.41 -1.26 -3.93 113.62 110.44 1trv n SER 7 Ca -0.24 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.35 1trv n SER 7 Cb 1.06 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.96 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 -0.14 4.33 3.64 -1.93 -3.04 116.57 119.43 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 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1trv h LYS 8 CO 0.00 0.74 0.04 1.15 -2.27 0.00 0.00 179.45 179.11 1trv h THR 9 N 0.00 0.96 -0.10 1.00 2.02 -2.00 -1.42 112.91 113.37 1trv h THR 9 Ca -0.02 -0.04 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 1trv h THR 9 Cb 1.60 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 1trv h THR 9 CO 0.10 0.02 -0.42 0.00 0.37 0.00 0.00 175.52 175.59 1trv h ALA 10 N 1.09 1.11 -0.51 6.16 0.00 -1.97 -2.81 119.26 122.33 1trv h ALA 10 Ca 0.06 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1trv h ALA 10 Cb 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1trv h ALA 10 CO -0.07 0.59 0.33 0.35 0.00 0.00 0.00 179.25 180.45 1trv h PHE 11 N 0.19 0.62 0.28 0.00 3.57 -1.24 0.31 116.94 120.67 1trv h PHE 11 Ca 0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1trv h PHE 11 Cb 0.82 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1trv h PHE 11 CO 0.01 0.38 -0.13 1.96 -2.23 0.00 0.00 178.31 178.30 1trv h GLN 12 N 0.67 -0.36 0.00 1.11 1.08 -1.13 -2.14 115.11 114.33 1trv h GLN 12 Ca 0.19 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1trv h GLN 12 Cb -0.05 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1trv h GLN 12 CO -0.06 -0.11 -0.01 0.93 -0.95 0.00 0.00 178.83 178.63 1trv h GLU 13 N -0.57 0.00 -0.07 1.46 5.08 -1.30 -1.90 114.58 117.28 1trv h GLU 13 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1trv h GLU 13 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1trv h GLU 13 CO 0.06 0.01 -0.02 0.00 -1.00 0.00 0.00 179.01 178.06 1trv h ALA 14 N 1.99 0.10 0.00 3.43 0.00 0.11 -2.27 119.26 122.62 1trv h ALA 14 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 14 Cb 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1trv h ALA 14 CO 0.00 -0.18 -0.11 -0.07 0.00 0.00 0.00 179.25 178.90 1trv h LEU 15 N -0.22 0.00 -0.25 0.00 3.38 -0.77 -2.42 115.31 115.03 1trv h LEU 15 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 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 0.11 -0.38 -0.78 0.09 0.00 0.00 178.44 177.49 1trv h ASP 16 N 0.00 0.77 0.94 -0.43 3.58 -1.01 -2.94 116.42 117.34 1trv h ASP 16 Ca -0.00 -0.51 -0.05 0.00 0.42 0.00 0.00 57.03 56.89 1trv h ASP 16 Cb 0.37 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1trv h ASP 16 CO 0.01 1.14 -0.21 0.00 -2.88 0.00 0.00 179.24 177.29 1trv h ALA 17 N 0.66 1.02 -0.38 -0.78 0.00 -0.98 -2.92 119.26 115.89 1trv h ALA 17 Ca 0.02 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 17 Cb 0.97 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1trv h ALA 17 CO 0.09 0.27 -0.07 0.00 0.00 0.00 0.00 179.25 179.54 1trv h ALA 18 N 1.79 1.18 0.00 0.00 0.00 -1.27 -3.47 119.26 117.49 1trv h ALA 18 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1trv h ALA 18 Cb 0.74 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1trv h ALA 18 CO 0.03 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1trv n GLY 19 N -0.65 1.86 0.00 0.00 0.00 -1.10 -3.42 105.19 101.88 1trv n GLY 19 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 5.79 0.00 -4.62 1.61 8.00 -1.26 -4.58 116.55 121.49 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 0.15 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.89 0.78 -1.24 1.02 -1.22 -4.48 119.74 115.49 1trv s LYS 21 Ca 0.00 0.16 -0.13 0.00 0.02 0.00 0.00 55.97 56.03 1trv s LYS 21 Cb 0.00 -1.82 0.07 0.00 -0.52 0.00 0.00 37.83 35.56 1trv s LYS 21 CO 0.00 -2.34 1.16 -1.17 -0.92 0.00 0.00 175.35 172.08 1trv s LEU 22 N -6.08 3.15 -0.28 3.17 0.20 -1.26 -4.42 118.68 113.15 1trv s LEU 22 Ca 0.66 2.18 -0.00 0.00 0.69 0.00 0.00 54.13 57.65 1trv s LEU 22 Cb -0.13 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.20 1trv s LEU 22 CO 0.53 -2.38 0.32 -0.69 -0.29 0.00 0.00 176.35 173.84 1trv s VAL 23 N -2.36 -0.46 0.58 1.68 1.01 -0.75 -3.05 120.40 117.05 1trv s VAL 23 Ca 0.69 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 1trv s VAL 23 Cb -0.24 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.22 1trv s VAL 23 CO 0.50 -0.37 0.84 -0.69 0.00 0.00 0.00 175.10 175.38 1trv s VAL 24 N 2.41 2.94 0.02 2.92 1.01 -0.40 -0.32 120.40 128.99 1trv s VAL 24 Ca 0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1trv s VAL 24 Cb -0.14 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1trv s VAL 24 CO -0.29 -0.13 0.02 -0.69 0.00 0.00 0.00 175.10 174.01 1trv s VAL 25 N -2.90 0.12 -0.24 2.92 1.01 -0.39 -2.21 120.40 118.71 1trv s VAL 25 Ca 0.56 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1trv s VAL 25 Cb -0.10 -0.58 0.06 0.00 0.00 0.00 0.00 36.38 35.76 1trv s VAL 25 CO 0.41 -0.57 -0.06 -0.62 0.00 0.00 0.00 175.10 174.27 1trv s ASP 26 N -1.77 3.91 -0.53 3.32 2.15 -0.96 -2.91 116.67 119.88 1trv s ASP 26 Ca -0.11 -1.21 -0.16 0.00 0.43 0.00 0.00 52.55 51.51 1trv s ASP 26 Cb -0.06 -1.21 0.13 0.00 -0.30 0.00 0.00 42.92 41.48 1trv s ASP 26 CO -0.02 -0.23 0.49 -0.36 -0.17 0.00 0.00 175.17 174.87 1trv s PHE 27 N 1.37 3.26 0.00 -5.34 0.40 0.23 -1.29 117.98 116.61 1trv s PHE 27 Ca -0.06 -1.31 0.00 0.00 -0.60 0.00 0.00 56.93 54.96 1trv s PHE 27 Cb -0.19 -3.75 0.00 0.00 0.51 0.00 0.00 43.02 39.59 1trv s PHE 27 CO -0.06 -1.01 0.00 0.43 0.70 0.00 0.00 175.22 175.28 1trv n SER 28 N 5.23 1.63 -3.69 1.36 7.64 -1.15 -1.58 113.62 123.06 1trv n SER 28 Ca -0.14 -1.02 -0.26 0.00 1.01 0.00 0.00 58.87 58.47 1trv n SER 28 Cb 0.40 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.44 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 -2.01 0.72 -0.01 -0.43 0.00 -1.17 -3.08 121.76 115.78 1trv s ALA 29 Ca 0.00 -0.45 -0.25 0.00 0.00 0.00 0.00 51.96 51.26 1trv s ALA 29 Cb -0.00 -1.05 -0.19 0.00 0.00 0.00 0.00 23.12 21.88 1trv s ALA 29 CO 0.00 -1.07 1.25 0.00 0.00 0.00 0.00 175.76 175.95 1trv h THR 30 N 6.46 1.20 -0.35 0.00 1.03 -1.96 -2.68 112.91 116.60 1trv h THR 30 Ca -0.16 -0.98 0.10 0.00 -0.01 0.00 0.00 66.41 65.36 1trv h THR 30 Cb 1.13 1.83 -0.01 0.00 -1.07 0.00 0.00 68.15 70.03 1trv h THR 30 CO 0.30 0.24 0.58 4.11 -0.01 0.00 0.00 175.52 180.74 1trv h TRP 31 N -0.54 0.00 -3.54 0.00 5.08 -1.95 -3.40 115.95 111.60 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 0.46 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.62 1trv h TRP 31 CO 0.07 0.00 0.03 0.00 -1.28 0.00 0.00 178.44 177.26 1trv n GLY 33 N -1.08 -0.64 0.23 0.00 0.00 -1.26 -4.37 105.19 98.07 1trv n GLY 33 Ca 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.33 0.39 -1.73 1.61 0.11 -1.96 -0.63 132.00 129.46 1trv h PRO 34 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1trv h PRO 34 Cb 0.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1trv h PRO 34 CO 0.00 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.05 1trv n LYS 36 N 1.26 0.00 0.00 0.00 4.81 -0.25 -3.03 118.16 120.95 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 0.36 -0.50 0.47 0.00 0.02 0.00 0.00 35.03 35.39 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 -0.63 0.56 -0.20 1.64 0.00 -1.11 -1.92 117.12 115.45 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 -1.45 0.24 0.00 0.00 0.00 0.00 33.22 32.01 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 -0.95 0.54 0.09 3.17 5.41 -1.26 -4.32 119.36 122.04 1trv n ILE 38 Ca 0.12 -0.75 -0.03 0.00 1.00 0.00 0.00 62.75 63.09 1trv n ILE 38 Cb 0.05 0.90 -0.06 0.00 -0.71 0.00 0.00 39.64 39.82 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 -1.74 -3.17 116.57 118.50 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 0.80 0.00 -0.35 -2.00 0.00 0.00 179.45 177.90 1trv n PRO 40 N -3.30 0.19 -0.07 0.07 -0.05 -1.26 -1.20 135.00 129.38 1trv n PRO 40 Ca 0.01 0.45 -0.06 0.00 -0.05 0.00 0.00 63.50 63.85 1trv n PRO 40 Cb 0.86 -1.88 -0.03 0.00 -0.05 0.00 0.00 33.50 32.39 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 0.12 0.54 0.04 -1.84 -3.00 116.94 112.80 1trv h PHE 41 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1trv h PHE 41 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1trv h PHE 41 CO 0.00 0.28 -0.06 0.35 -0.60 0.00 0.00 178.31 178.28 1trv h PHE 42 N -1.00 -0.16 0.00 -0.55 3.57 -1.54 -2.14 116.94 115.12 1trv h PHE 42 Ca -0.04 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1trv h PHE 42 Cb 0.48 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 1trv h PHE 42 CO -0.05 -0.07 -0.04 1.25 -2.23 0.00 0.00 178.31 177.17 1trv h HIS 43 N -0.20 0.00 -0.19 0.41 2.76 -1.36 -1.26 115.15 115.31 1trv h HIS 43 Ca -0.02 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.06 1trv h HIS 43 Cb 0.16 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1trv h HIS 43 CO -0.06 0.04 -0.30 1.03 -1.30 0.00 0.00 177.93 177.34 1trv h SER 44 N 0.00 0.38 -0.13 3.26 0.87 -1.24 -2.26 113.55 114.43 1trv h SER 44 Ca -0.00 -0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.46 1trv h SER 44 Cb 0.10 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1trv h SER 44 CO 0.01 0.68 0.10 -0.07 -0.53 0.00 0.00 176.83 177.01 1trv h LEU 45 N 0.33 0.00 -0.82 2.23 3.38 -1.02 -2.18 115.31 117.22 1trv h LEU 45 Ca 0.04 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.20 1trv h LEU 45 Cb 0.70 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.34 1trv h LEU 45 CO 0.05 0.00 0.32 0.28 0.09 0.00 0.00 178.44 179.18 1trv h SER 46 N 0.00 0.25 0.94 -0.43 0.02 -1.47 0.35 113.55 113.21 1trv h SER 46 Ca 0.06 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1trv h SER 46 Cb 0.27 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1trv h SER 46 CO -0.00 0.03 -0.95 -0.62 -1.14 0.00 0.00 176.83 174.15 1trv n GLU 47 N -5.05 0.54 0.05 3.45 -0.58 -0.84 -3.89 120.64 114.31 1trv n GLU 47 Ca 0.18 0.11 -0.06 0.00 -0.42 0.00 0.00 57.16 56.97 1trv n GLU 47 Cb 0.53 -1.79 -0.11 0.00 -0.57 0.00 0.00 31.44 29.51 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 -2.46 3.49 1.63 -0.88 -3.39 116.57 114.96 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 0.94 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 32.17 1trv h LYS 48 CO 0.00 0.76 -0.77 0.66 -3.45 0.00 0.00 179.45 176.65 1trv n TYR 49 N -3.22 1.78 0.84 1.91 4.01 0.11 -4.90 117.16 117.68 1trv n TYR 49 Ca -0.05 -3.91 0.07 0.00 -0.16 0.00 0.00 57.90 53.85 1trv n TYR 49 Cb 0.94 -0.36 0.40 0.00 -0.31 0.00 0.00 39.34 40.01 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 1.72 0.00 -1.37 7.72 3.41 -1.25 -1.74 113.62 122.10 1trv n SER 50 Ca 0.25 -0.37 0.10 0.00 -0.26 0.00 0.00 58.87 58.60 1trv n SER 50 Cb 0.43 -0.04 0.32 0.00 -0.26 0.00 0.00 64.21 64.66 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 -1.04 4.02 -4.14 4.04 5.15 -1.26 -4.90 115.26 117.13 1trv n ASN 51 Ca 0.10 -2.14 -0.19 0.00 -0.60 0.00 0.00 54.58 51.75 1trv n ASN 51 Cb 0.06 -0.50 -0.13 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 -1.33 1.03 -0.31 3.44 1.01 -0.71 -4.74 120.40 118.80 1trv s VAL 52 Ca 0.47 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1trv s VAL 52 Cb 0.27 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1trv s VAL 52 CO 0.29 -0.09 0.25 -0.63 0.00 0.00 0.00 175.10 174.91 1trv s ILE 53 N -0.99 5.27 -0.15 2.22 -1.09 -1.17 -4.76 121.20 120.54 1trv s ILE 53 Ca -0.00 0.05 -0.04 0.00 -2.23 0.00 0.00 60.65 58.43 1trv s ILE 53 Cb -0.08 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 1trv s ILE 53 CO 0.01 0.11 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.45 1trv s PHE 54 N 1.80 3.07 0.37 3.97 0.08 -1.26 -1.27 117.98 124.75 1trv s PHE 54 Ca 0.08 -0.17 0.08 0.00 0.12 0.00 0.00 56.93 57.04 1trv s PHE 54 Cb -0.17 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 1trv s PHE 54 CO 0.11 0.07 0.24 -0.51 -0.10 0.00 0.00 175.22 175.03 1trv s LEU 55 N 0.16 3.33 -0.21 -0.37 1.02 -0.94 -2.94 118.68 118.74 1trv s LEU 55 Ca -0.00 -0.77 -0.04 0.00 0.02 0.00 0.00 54.13 53.33 1trv s LEU 55 Cb -0.13 -1.86 0.08 0.00 0.02 0.00 0.00 46.19 44.30 1trv s LEU 55 CO 0.02 -0.46 0.12 -0.70 0.02 0.00 0.00 176.35 175.36 1trv s GLU 56 N -3.96 0.12 0.06 1.70 2.12 -0.53 -2.25 118.70 115.95 1trv s GLU 56 Ca 0.42 -0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.61 1trv s GLU 56 Cb -0.02 -1.54 -0.04 0.00 0.26 0.00 0.00 34.13 32.79 1trv s GLU 56 CO 0.25 -0.77 0.02 0.08 -0.54 0.00 0.00 175.26 174.29 1trv s VAL 57 N 2.16 4.19 -0.20 3.70 1.01 -0.41 -1.61 120.40 129.24 1trv s VAL 57 Ca 0.05 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1trv s VAL 57 Cb -0.16 -2.97 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 1trv s VAL 57 CO -0.18 0.20 -0.10 -0.62 0.00 0.00 0.00 175.10 174.40 1trv s ASP 58 N -2.11 3.92 0.00 3.32 2.15 -1.26 -2.92 116.67 119.76 1trv s ASP 58 Ca 0.25 -0.46 0.08 0.00 0.43 0.00 0.00 52.55 52.85 1trv s ASP 58 Cb -0.12 -1.65 0.42 0.00 -0.30 0.00 0.00 42.92 41.28 1trv s ASP 58 CO 0.17 0.01 1.03 1.33 -0.17 0.00 0.00 175.17 177.54 1trv n VAL 59 N 4.57 0.50 -0.10 1.11 0.24 -1.18 0.09 118.33 123.57 1trv n VAL 59 Ca -0.19 0.13 -0.18 0.00 -2.04 0.00 0.00 64.34 62.05 1trv n VAL 59 Cb 0.51 -1.00 -0.09 0.00 -1.47 0.00 0.00 33.84 31.79 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 -1.17 1.99 0.02 -1.34 9.92 -1.26 -3.75 116.55 120.96 1trv n ASP 60 Ca 0.05 0.07 -0.12 0.00 -0.53 0.00 0.00 54.79 54.26 1trv n ASP 60 Cb 0.05 -0.47 -0.14 0.00 -0.64 0.00 0.00 41.12 39.92 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 -0.38 0.16 -0.65 -2.24 3.58 -1.87 -3.35 116.42 111.67 1trv h ASP 61 Ca -0.50 -0.26 -0.45 0.00 0.42 0.00 0.00 57.03 56.25 1trv h ASP 61 Cb 1.59 -0.05 -0.30 0.00 1.72 0.00 0.00 39.33 42.29 1trv h ASP 61 CO -0.20 1.22 -0.29 0.00 -2.88 0.00 0.00 179.24 177.09 1trv n ALA 62 N -2.60 5.02 0.16 -0.78 0.00 0.11 -4.73 120.51 117.70 1trv n ALA 62 Ca -0.15 -3.54 0.08 0.00 0.00 0.00 0.00 53.44 49.82 1trv n ALA 62 Cb 1.03 -0.71 0.43 0.00 0.00 0.00 0.00 19.45 20.20 1trv n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1trv n GLN 63 N -0.88 0.11 -0.03 0.00 10.64 -1.21 -0.59 117.38 125.41 1trv n GLN 63 Ca 0.43 0.59 -0.11 0.00 -1.83 0.00 0.00 57.00 56.08 1trv n GLN 63 Cb 0.91 -2.04 0.03 0.00 -0.86 0.00 0.00 30.24 28.28 1trv n GLN 63 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1trv h ASP 64 N 0.00 0.75 0.89 2.61 2.03 -1.90 -2.73 116.42 118.08 1trv h ASP 64 Ca 0.00 -0.39 -0.22 0.00 -0.73 0.00 0.00 57.03 55.69 1trv h ASP 64 Cb 0.38 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.64 1trv h ASP 64 CO 0.00 1.13 -1.01 0.58 -1.03 0.00 0.00 179.24 178.91 1trv h VAL 65 N 0.53 1.65 -0.56 4.15 2.07 -1.17 -3.22 116.25 119.71 1trv h VAL 65 Ca 0.02 -3.25 -0.03 0.00 0.82 0.00 0.00 66.70 64.25 1trv h VAL 65 Cb 1.08 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.63 1trv h VAL 65 CO 0.11 0.93 0.21 0.00 0.02 0.00 0.00 177.57 178.84 1trv h ALA 66 N 0.95 1.32 -0.10 1.67 0.00 -1.43 -1.69 119.26 119.98 1trv h ALA 66 Ca -0.03 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 66 Cb 1.75 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1trv h ALA 66 CO 0.14 0.50 -0.20 1.03 0.00 0.00 0.00 179.25 180.72 1trv h SER 67 N 0.81 0.15 0.75 0.00 0.87 -1.50 0.73 113.55 115.37 1trv h SER 67 Ca 0.19 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1trv h SER 67 Cb 0.18 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1trv h SER 67 CO -0.02 0.37 -0.43 -0.08 -0.53 0.00 0.00 176.83 176.14 1trv h GLU 68 N 0.15 -1.06 -0.00 2.24 4.57 -1.36 -2.28 114.58 116.84 1trv h GLU 68 Ca 0.03 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1trv h GLU 68 Cb 0.45 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1trv h GLU 68 CO 0.03 -0.71 -0.08 0.00 -1.18 0.00 0.00 179.01 177.07 1trv n ALA 69 N -2.65 2.62 -3.23 2.92 0.00 -1.16 -4.95 120.51 114.06 1trv n ALA 69 Ca -0.14 -0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.04 1trv n ALA 69 Cb 0.46 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.51 1trv n ALA 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1trv n GLU 70 N -1.27 -1.45 -2.80 0.00 2.13 0.25 -4.89 120.64 112.60 1trv n GLU 70 Ca 0.12 1.25 -0.43 0.00 0.66 0.00 0.00 57.16 58.76 1trv n GLU 70 Cb 0.29 -5.15 -0.04 0.00 0.27 0.00 0.00 31.44 26.81 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1trv s VAL 71 N -3.07 4.39 -0.31 6.31 1.01 -0.86 -4.85 120.40 123.01 1trv s VAL 71 Ca 0.08 0.55 0.16 0.00 0.00 0.00 0.00 61.98 62.77 1trv s VAL 71 Cb -0.02 -4.51 0.56 0.00 0.00 0.00 0.00 36.38 32.41 1trv s VAL 71 CO 0.78 -1.01 1.46 0.29 0.00 0.00 0.00 175.10 176.62 1trv n LYS 72 N 7.43 3.23 -3.20 2.72 4.76 -1.26 -4.85 118.16 127.00 1trv n LYS 72 Ca 0.04 -2.81 0.00 0.00 -2.87 0.00 0.00 58.31 52.68 1trv n LYS 72 Cb 0.48 -1.85 -0.02 0.00 -1.84 0.00 0.00 35.03 31.80 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 -2.58 -2.04 0.13 7.82 0.00 -1.26 -5.16 121.76 118.67 1trv s ALA 73 Ca 0.42 0.98 0.03 0.00 0.00 0.00 0.00 51.96 53.39 1trv s ALA 73 Cb 0.33 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 1trv s ALA 73 CO 0.11 -1.71 0.22 0.95 0.00 0.00 0.00 175.76 175.34 1trv s THR 74 N 2.75 5.07 0.75 0.00 -4.23 -1.26 -4.20 115.64 114.53 1trv s THR 74 Ca 0.12 -0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 59.78 1trv s THR 74 Cb -0.12 -3.57 0.04 0.00 1.34 0.00 0.00 72.50 70.19 1trv s THR 74 CO -0.26 -0.04 1.09 -2.16 -0.54 0.00 0.00 174.62 172.71 1trv s PRO 75 N -3.02 2.49 0.01 3.99 0.04 -1.26 -4.92 135.00 132.34 1trv s PRO 75 Ca 0.33 0.65 -0.13 0.00 0.04 0.00 0.00 61.00 61.89 1trv s PRO 75 Cb -0.11 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.48 1trv s PRO 75 CO 0.27 -1.34 0.28 0.99 0.04 0.00 0.00 177.00 177.24 1trv s THR 76 N -3.19 0.07 0.05 1.26 2.01 -0.61 -3.21 115.64 112.01 1trv s THR 76 Ca 0.59 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 62.05 1trv s THR 76 Cb -0.13 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 1trv s THR 76 CO 0.54 -0.33 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.61 1trv s PHE 77 N -1.86 1.43 0.03 4.92 0.40 -0.92 -0.60 117.98 121.38 1trv s PHE 77 Ca -0.10 -0.37 0.05 0.00 -0.60 0.00 0.00 56.93 55.91 1trv s PHE 77 Cb -0.04 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.63 1trv s PHE 77 CO 0.01 0.06 -0.14 -0.65 0.70 0.00 0.00 175.22 175.20 1trv s GLN 78 N -1.24 0.94 -0.33 0.44 -0.21 -1.15 -2.10 119.66 116.02 1trv s GLN 78 Ca 0.03 -0.73 -0.06 0.00 0.02 0.00 0.00 55.36 54.62 1trv s GLN 78 Cb -0.08 -0.95 0.04 0.00 1.00 0.00 0.00 33.01 33.02 1trv s GLN 78 CO 0.02 0.24 0.09 -0.06 -2.12 0.00 0.00 175.29 173.45 1trv s PHE 79 N -0.81 3.24 0.19 0.91 0.40 0.11 -1.27 117.98 120.76 1trv s PHE 79 Ca 0.02 -1.42 0.06 0.00 -0.60 0.00 0.00 56.93 54.99 1trv s PHE 79 Cb -0.08 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 1trv s PHE 79 CO 0.01 -0.72 0.11 -0.06 0.70 0.00 0.00 175.22 175.26 1trv s PHE 80 N 1.40 3.06 -0.18 0.36 0.08 0.56 -1.93 117.98 121.32 1trv s PHE 80 Ca -0.02 -0.07 -0.09 0.00 0.12 0.00 0.00 56.93 56.87 1trv s PHE 80 Cb -0.19 -1.45 0.07 0.00 -0.57 0.00 0.00 43.02 40.88 1trv s PHE 80 CO 0.02 0.52 0.42 0.21 -0.10 0.00 0.00 175.22 176.30 1trv s LYS 81 N -3.25 0.38 -1.30 0.44 2.47 -0.32 -1.81 119.74 116.36 1trv s LYS 81 Ca 0.31 0.86 0.00 0.00 -1.56 0.00 0.00 55.97 55.57 1trv s LYS 81 Cb -0.09 0.06 0.00 0.00 -1.46 0.00 0.00 37.83 36.34 1trv s LYS 81 CO 0.23 -0.18 0.00 1.63 0.16 0.00 0.00 175.35 177.18 1trv n LYS 82 N 4.53 -1.51 -1.61 4.03 5.02 -1.26 0.90 118.16 128.26 1trv n LYS 82 Ca -0.20 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1trv n LYS 82 Cb 0.54 -5.05 0.00 0.00 -0.02 0.00 0.00 35.03 30.50 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 -0.38 0.44 2.91 0.72 0.00 -1.26 -5.05 105.19 102.58 1trv n GLY 83 Ca -0.13 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.25 1.13 0.11 1.61 -0.21 0.26 -5.11 119.66 114.20 1trv s GLN 84 Ca 0.00 -0.18 -0.31 0.00 0.02 0.00 0.00 55.36 54.89 1trv s GLN 84 Cb 0.00 -1.12 -0.09 0.00 1.00 0.00 0.00 33.01 32.81 1trv s GLN 84 CO 0.00 -0.11 1.56 0.21 -2.12 0.00 0.00 175.29 174.83 1trv s LYS 85 N 1.11 4.23 0.00 2.91 2.20 -1.26 -1.18 119.74 127.75 1trv s LYS 85 Ca -0.07 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 1trv s LYS 85 Cb -0.14 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 1trv s LYS 85 CO -0.01 -0.62 0.00 1.33 -0.36 0.00 0.00 175.35 175.69 1trv n VAL 86 N 4.31 0.00 -3.55 4.02 0.24 -0.81 -4.94 118.33 117.60 1trv n VAL 86 Ca 0.14 -0.05 -0.06 0.00 -2.04 0.00 0.00 64.34 62.33 1trv n VAL 86 Cb 0.40 0.54 -0.02 0.00 -1.47 0.00 0.00 33.84 33.29 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 -1.82 -0.38 -0.03 7.63 0.00 -1.17 -5.03 107.32 106.52 1trv s GLY 87 Ca 0.00 1.27 -0.30 0.00 0.00 0.00 0.00 44.72 45.69 1trv s GLY 87 CO 0.00 0.42 1.15 -1.83 0.00 0.00 0.00 173.10 172.84 1trv s GLU 88 N -2.78 0.59 -0.15 2.90 4.04 -1.26 0.09 118.70 122.12 1trv s GLU 88 Ca 0.07 -0.29 -0.30 0.00 0.04 0.00 0.00 54.97 54.49 1trv s GLU 88 Cb -0.01 0.22 0.13 0.00 0.02 0.00 0.00 34.13 34.49 1trv s GLU 88 CO -0.07 -0.26 1.05 -0.59 -1.84 0.00 0.00 175.26 173.55 1trv s PHE 89 N -2.68 -0.29 -0.02 4.83 -0.12 -0.89 -4.99 117.98 113.81 1trv s PHE 89 Ca 0.11 0.41 0.08 0.00 -0.05 0.00 0.00 56.93 57.48 1trv s PHE 89 Cb 0.01 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1trv s PHE 89 CO -0.03 -0.33 -0.25 -1.54 -0.05 0.00 0.00 175.22 173.02 1trv s SER 90 N -1.51 2.95 0.00 1.98 1.04 -1.26 -2.18 113.70 114.72 1trv s SER 90 Ca 0.02 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1trv s SER 90 Cb -0.01 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.79 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 2.43 4.07 1.48 7.32 0.00 -1.20 -4.96 105.19 114.32 1trv n GLY 91 Ca -0.16 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.17 3.89 -3.34 4.61 0.00 -1.26 -4.65 120.51 118.58 1trv n ALA 92 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 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 1.45 5.48 0.20 0.00 2.85 -1.26 -4.84 115.26 119.14 1trv n ASN 93 Ca 0.00 -3.07 0.12 0.00 -0.11 0.00 0.00 54.58 51.52 1trv n ASN 93 Cb 0.50 -1.35 0.70 0.00 1.24 0.00 0.00 39.78 40.86 1trv n ASN 93 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1trv h LYS 94 N 6.52 0.00 -0.07 1.20 2.10 -1.98 -0.39 116.57 123.95 1trv h LYS 94 Ca 0.18 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.74 1trv h LYS 94 Cb 0.85 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.17 1trv h LYS 94 CO 1.03 0.00 -0.36 0.93 -2.00 0.00 0.00 179.45 179.05 1trv h GLU 95 N 0.00 0.13 -0.18 0.07 5.08 -1.98 -2.54 114.58 115.15 1trv h GLU 95 Ca 0.06 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1trv h GLU 95 Cb 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1trv h GLU 95 CO -0.00 0.48 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.23 1trv h LYS 96 N 0.12 0.27 -1.00 2.33 3.64 -1.47 -2.21 116.57 118.24 1trv h LYS 96 Ca 0.01 -0.05 0.25 0.00 -1.27 0.00 0.00 60.65 59.59 1trv h LYS 96 Cb 0.69 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.38 1trv h LYS 96 CO 0.05 0.33 0.65 -0.07 -2.27 0.00 0.00 179.45 178.14 1trv h LEU 97 N 0.26 0.41 0.49 5.20 3.38 -1.48 0.35 115.31 123.92 1trv h LEU 97 Ca 0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1trv h LEU 97 Cb 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1trv h LEU 97 CO 0.01 0.11 -0.23 -0.08 0.09 0.00 0.00 178.44 178.34 1trv h GLU 98 N 0.38 -0.63 -0.16 1.13 4.57 -1.55 0.18 114.58 118.51 1trv h GLU 98 Ca 0.55 0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.82 1trv h GLU 98 Cb 1.42 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 30.14 1trv h GLU 98 CO -0.24 -0.42 0.14 0.00 -1.18 0.00 0.00 179.01 177.31 1trv h ALA 99 N -1.65 1.93 -0.13 2.92 0.00 -1.50 -1.70 119.26 119.14 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 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1trv h ALA 99 CO 0.11 -0.22 -0.31 1.15 0.00 0.00 0.00 179.25 179.98 1trv h THR 100 N 0.00 1.37 -0.58 0.00 2.02 -0.02 -2.99 112.91 112.72 1trv h THR 100 Ca 0.08 -1.59 0.03 0.00 0.77 0.00 0.00 66.41 65.69 1trv h THR 100 Cb 0.36 2.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 1trv h THR 100 CO -0.00 0.47 0.38 0.40 0.37 0.00 0.00 175.52 177.14 1trv h ILE 101 N 0.04 1.08 0.00 3.11 2.04 0.29 0.44 117.51 124.52 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 0.91 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1trv h ILE 101 CO 0.07 0.12 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 1trv n ASN 102 N -4.46 0.00 -0.04 1.72 5.15 -1.02 -2.15 115.26 114.46 1trv n ASN 102 Ca 0.07 -0.82 -0.07 0.00 -0.60 0.00 0.00 54.58 53.15 1trv n ASN 102 Cb 0.13 -0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.31 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 -0.04 -0.47 1.20 4.81 0.05 -3.35 114.58 116.77 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 0.40 0.00 1.28 -0.73 0.00 0.00 179.01 179.96 1trv n LEU 104 N -4.74 4.87 0.00 1.64 4.77 -1.23 -5.13 117.00 117.18 1trv n LEU 104 Ca -0.05 -2.86 0.01 0.00 -0.03 0.00 0.00 56.01 53.08 1trv n LEU 104 Cb 0.22 -0.61 0.08 0.00 -2.33 0.00 0.00 43.42 40.79 1trv n LEU 104 CO 0.17 0.68 0.33 0.55 -1.33 0.00 0.00 177.39 177.78