#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 0.09 -0.16 2.03 1.01 -1.26 -4.22 120.40 117.89 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 -3.64 0.29 -0.07 2.72 2.20 -1.20 -5.02 119.74 115.03 1trv s LYS 3 Ca 0.38 0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 56.54 1trv s LYS 3 Cb 0.04 0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 1trv s LYS 3 CO 0.23 -0.22 1.00 -1.14 -0.36 0.00 0.00 175.35 174.85 1trv s GLN 4 N 2.06 4.47 -0.16 4.03 0.74 -1.26 -1.25 119.66 128.29 1trv s GLN 4 Ca -0.04 1.40 -0.18 0.00 0.05 0.00 0.00 55.36 56.59 1trv s GLN 4 Cb -0.11 -3.52 -0.04 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 0.00 175.29 175.28 1trv s ILE 5 N 1.69 5.17 -0.09 -2.34 -1.09 -0.49 -4.94 121.20 119.12 1trv s ILE 5 Ca 0.49 0.89 0.12 0.00 -2.23 0.00 0.00 60.65 59.93 1trv s ILE 5 Cb -0.19 -3.80 -0.24 0.00 -1.58 0.00 0.00 42.46 36.65 1trv s ILE 5 CO 0.21 0.28 0.48 -0.62 -1.23 0.00 0.00 174.94 174.06 1trv n GLU 6 N 4.09 0.65 -0.26 2.79 1.02 -1.26 -4.47 120.64 123.21 1trv n GLU 6 Ca -0.07 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1trv n GLU 6 Cb 0.51 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 -3.01 0.00 0.13 1.62 3.41 -1.26 -4.13 113.62 110.38 1trv n SER 7 Ca -0.22 -0.25 0.02 0.00 -0.26 0.00 0.00 58.87 58.16 1trv n SER 7 Cb 1.08 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 65.04 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 -3.04 116.57 119.71 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 0.50 -0.13 1.15 -2.27 0.00 0.00 179.45 178.71 1trv h THR 9 N 0.00 0.71 0.00 1.00 2.02 -2.00 -1.46 112.91 113.18 1trv h THR 9 Ca -0.02 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 1trv h THR 9 Cb 1.41 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1trv h THR 9 CO 0.07 0.00 -0.43 0.00 0.37 0.00 0.00 175.52 175.52 1trv h ALA 10 N 0.56 1.20 0.38 6.16 0.00 -1.98 -2.79 119.26 122.79 1trv h ALA 10 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1trv h ALA 10 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1trv h ALA 10 CO -0.03 0.54 -0.18 0.35 0.00 0.00 0.00 179.25 179.93 1trv h PHE 11 N 0.00 -0.48 -0.29 0.00 3.57 -1.24 0.14 116.94 118.65 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 0.81 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1trv h PHE 11 CO 0.00 -0.29 0.16 1.96 -2.23 0.00 0.00 178.31 177.91 1trv h GLN 12 N -0.53 0.41 0.00 1.11 1.08 -1.26 -1.51 115.11 114.41 1trv h GLN 12 Ca -0.05 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1trv h GLN 12 Cb 0.40 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1trv h GLN 12 CO 0.09 0.36 -0.01 0.93 -0.95 0.00 0.00 178.83 179.24 1trv h GLU 13 N 0.35 0.00 -0.01 1.46 4.39 -1.34 -1.49 114.58 117.94 1trv h GLU 13 Ca 0.10 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1trv h GLU 13 Cb 0.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1trv h GLU 13 CO -0.02 0.01 -0.01 0.00 -1.16 0.00 0.00 179.01 177.84 1trv h ALA 14 N 1.99 0.02 0.00 3.43 0.00 0.33 -1.99 119.26 123.03 1trv h ALA 14 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1trv h ALA 14 Cb 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1trv h ALA 14 CO 0.00 -0.27 -0.08 -0.07 0.00 0.00 0.00 179.25 178.84 1trv h LEU 15 N -0.39 0.00 -0.06 0.00 3.38 -0.97 -1.41 115.31 115.86 1trv h LEU 15 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 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 0.00 0.08 -0.10 -0.78 0.09 0.00 0.00 178.44 177.72 1trv h ASP 16 N 0.00 0.19 1.07 -0.43 1.82 -0.95 -2.99 116.42 115.12 1trv h ASP 16 Ca -0.00 -0.55 0.00 0.00 -0.39 0.00 0.00 57.03 56.09 1trv h ASP 16 Cb 0.31 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.27 1trv h ASP 16 CO 0.01 0.71 0.00 0.00 -1.61 0.00 0.00 179.24 178.35 1trv h ALA 17 N 0.49 1.00 -0.19 -0.78 0.00 -0.98 -2.89 119.26 115.90 1trv h ALA 17 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1trv h ALA 17 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1trv h ALA 17 CO 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 179.25 179.14 1trv h ALA 18 N 2.16 1.43 0.00 0.00 0.00 -1.11 -3.47 119.26 118.26 1trv h ALA 18 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1trv h ALA 18 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1trv h ALA 18 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1trv n GLY 19 N -0.80 1.56 0.00 0.00 0.00 -1.09 -3.70 105.19 101.15 1trv n GLY 19 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 5.82 0.00 -4.39 1.61 -0.08 -1.26 -4.61 116.55 113.63 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 -1.51 0.00 0.00 54.79 51.99 1trv n ASP 20 Cb 0.00 0.00 0.17 0.00 2.34 0.00 0.00 41.12 43.63 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1trv s LYS 21 N 0.00 0.54 0.81 -0.67 1.02 -1.24 -4.58 119.74 115.62 1trv s LYS 21 Ca 0.00 -0.00 -0.12 0.00 0.02 0.00 0.00 55.97 55.87 1trv s LYS 21 Cb 0.00 -1.80 0.08 0.00 -0.52 0.00 0.00 37.83 35.60 1trv s LYS 21 CO 0.00 -2.55 1.14 -1.17 -0.92 0.00 0.00 175.35 171.85 1trv s LEU 22 N -6.16 3.05 -0.29 3.17 0.20 -1.26 -4.52 118.68 112.87 1trv s LEU 22 Ca 0.68 2.10 0.00 0.00 0.69 0.00 0.00 54.13 57.61 1trv s LEU 22 Cb -0.10 -4.56 0.14 0.00 -0.43 0.00 0.00 46.19 41.25 1trv s LEU 22 CO 0.53 -2.49 0.34 -0.69 -0.29 0.00 0.00 176.35 173.76 1trv s VAL 23 N -2.56 -0.50 0.56 1.68 1.01 -0.70 -3.14 120.40 116.75 1trv s VAL 23 Ca 0.67 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1trv s VAL 23 Cb -0.22 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1trv s VAL 23 CO 0.53 -0.39 0.81 -0.69 0.00 0.00 0.00 175.10 175.37 1trv s VAL 24 N 2.44 3.22 0.02 2.92 1.01 -0.20 -0.62 120.40 129.18 1trv s VAL 24 Ca 0.10 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1trv s VAL 24 Cb -0.13 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1trv s VAL 24 CO -0.31 -0.21 0.03 -0.69 0.00 0.00 0.00 175.10 173.92 1trv s VAL 25 N -2.84 0.12 -0.21 2.92 1.01 -0.71 -2.17 120.40 118.52 1trv s VAL 25 Ca 0.54 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1trv s VAL 25 Cb -0.10 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.80 1trv s VAL 25 CO 0.41 -0.53 -0.08 -0.62 0.00 0.00 0.00 175.10 174.27 1trv s ASP 26 N -1.69 3.59 -0.57 3.32 2.15 -0.99 -2.88 116.67 119.60 1trv s ASP 26 Ca -0.12 -1.01 -0.14 0.00 0.43 0.00 0.00 52.55 51.72 1trv s ASP 26 Cb -0.06 -1.22 0.14 0.00 -0.30 0.00 0.00 42.92 41.48 1trv s ASP 26 CO -0.02 -0.18 0.50 -0.36 -0.17 0.00 0.00 175.17 174.94 1trv s PHE 27 N 1.39 3.37 0.10 -5.34 0.40 0.01 -1.05 117.98 116.86 1trv s PHE 27 Ca -0.03 -1.55 0.01 0.00 -0.60 0.00 0.00 56.93 54.75 1trv s PHE 27 Cb -0.17 -3.72 0.01 0.00 0.51 0.00 0.00 43.02 39.64 1trv s PHE 27 CO -0.07 -1.01 0.05 0.43 0.70 0.00 0.00 175.22 175.33 1trv n SER 28 N 4.95 1.60 -3.72 1.36 7.64 -1.15 -1.96 113.62 122.34 1trv n SER 28 Ca -0.08 -1.37 -0.25 0.00 1.01 0.00 0.00 58.87 58.17 1trv n SER 28 Cb 0.41 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 -2.15 0.74 0.01 -0.43 0.00 -1.22 -2.92 121.76 115.79 1trv s ALA 29 Ca 0.04 -0.36 -0.22 0.00 0.00 0.00 0.00 51.96 51.43 1trv s ALA 29 Cb -0.00 -0.96 -0.18 0.00 0.00 0.00 0.00 23.12 21.98 1trv s ALA 29 CO 0.03 -0.86 1.24 0.00 0.00 0.00 0.00 175.76 176.16 1trv h THR 30 N 6.42 1.41 -0.17 0.00 1.03 -1.96 -2.86 112.91 116.77 1trv h THR 30 Ca -0.17 -1.51 0.05 0.00 -0.01 0.00 0.00 66.41 64.77 1trv h THR 30 Cb 1.13 2.18 -0.01 0.00 -1.07 0.00 0.00 68.15 70.38 1trv h THR 30 CO 0.29 0.43 0.34 4.11 -0.01 0.00 0.00 175.52 180.67 1trv h TRP 31 N -0.18 0.00 -3.51 0.00 5.08 -1.96 -3.40 115.95 111.98 1trv h TRP 31 Ca -0.00 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.48 1trv h TRP 31 Cb 0.79 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.99 1trv h TRP 31 CO 0.11 0.00 0.09 0.00 -1.28 0.00 0.00 178.44 177.36 1trv n GLY 33 N -2.23 -0.53 0.35 0.00 0.00 -1.26 -4.57 105.19 96.95 1trv n GLY 33 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.15 0.81 -1.76 1.61 0.11 -1.97 -1.16 132.00 129.49 1trv h PRO 34 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1trv h PRO 34 Cb 0.12 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1trv h PRO 34 CO 0.00 0.54 0.00 0.00 -0.21 0.00 0.00 178.00 178.33 1trv n LYS 36 N 1.30 0.00 0.00 0.00 4.81 -0.44 -3.37 118.16 120.46 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 0.35 -0.49 0.48 0.00 0.02 0.00 0.00 35.03 35.40 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 -0.69 0.46 -0.20 1.64 2.81 -1.13 -1.91 117.12 118.10 1trv n MET 37 Ca 0.00 0.03 0.12 0.00 -1.81 0.00 0.00 57.70 56.04 1trv n MET 37 Cb 0.00 -1.50 0.23 0.00 -0.71 0.00 0.00 33.22 31.24 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 -1.07 0.53 0.09 2.02 5.41 -1.26 -4.33 119.36 120.75 1trv n ILE 38 Ca 0.12 -0.75 -0.04 0.00 1.00 0.00 0.00 62.75 63.08 1trv n ILE 38 Cb 0.08 0.92 -0.07 0.00 -0.71 0.00 0.00 39.64 39.86 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 4.39 0.00 0.00 0.38 2.10 -1.73 -3.15 116.57 118.56 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 0.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 1trv h LYS 39 CO 0.00 0.81 0.00 -2.30 -2.00 0.00 0.00 179.45 175.96 1trv n PRO 40 N -3.30 0.10 -0.07 0.07 -0.02 -1.26 -1.00 135.00 129.53 1trv n PRO 40 Ca 0.00 0.40 -0.04 0.00 -2.02 0.00 0.00 63.50 61.84 1trv n PRO 40 Cb 0.87 -1.72 -0.02 0.00 -0.02 0.00 0.00 33.50 32.61 1trv n PRO 40 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1trv h PHE 41 N 0.00 0.00 -0.27 6.00 -1.00 -1.84 -3.14 116.94 116.70 1trv h PHE 41 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1trv h PHE 41 Cb 0.25 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 1trv h PHE 41 CO 0.00 0.09 0.17 0.35 -1.61 0.00 0.00 178.31 177.31 1trv h PHE 42 N -1.00 0.34 0.00 -0.55 3.57 -1.55 -2.27 116.94 115.48 1trv h PHE 42 Ca -0.02 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1trv h PHE 42 Cb 0.40 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1trv h PHE 42 CO -0.13 0.24 -0.10 1.25 -2.23 0.00 0.00 178.31 177.34 1trv h HIS 43 N 0.35 0.00 -0.10 0.41 2.76 -1.27 -1.78 115.15 115.52 1trv h HIS 43 Ca 0.10 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.17 1trv h HIS 43 Cb -0.01 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 1trv h HIS 43 CO -0.05 0.10 -0.37 0.66 -1.30 0.00 0.00 177.93 176.97 1trv h SER 44 N 0.00 0.21 -0.54 3.26 4.64 -1.36 -2.56 113.55 117.21 1trv h SER 44 Ca -0.00 -0.08 0.08 0.00 -0.47 0.00 0.00 61.79 61.31 1trv h SER 44 Cb 0.19 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 1trv h SER 44 CO 0.01 0.58 0.36 -0.07 -0.87 0.00 0.00 176.83 176.84 1trv h LEU 45 N 0.18 0.37 -0.92 5.97 3.38 -1.18 -1.52 115.31 121.60 1trv h LEU 45 Ca 0.02 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.17 1trv h LEU 45 Cb 0.74 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.32 1trv h LEU 45 CO 0.06 0.23 0.51 0.28 0.09 0.00 0.00 178.44 179.61 1trv h SER 46 N 0.42 0.62 0.99 -0.43 0.02 -1.53 0.54 113.55 114.18 1trv h SER 46 Ca 0.24 0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 61.23 1trv h SER 46 Cb 0.42 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1trv h SER 46 CO -0.06 0.22 -1.05 -0.33 -1.14 0.00 0.00 176.83 174.47 1trv h GLU 47 N 0.66 0.00 0.00 3.45 5.08 -1.46 -3.34 114.58 118.98 1trv h GLU 47 Ca 0.52 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.80 1trv h GLU 47 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1trv h GLU 47 CO -0.39 0.13 -0.70 -0.22 -1.00 0.00 0.00 179.01 176.84 1trv h LYS 48 N 0.00 0.00 -2.53 2.33 1.63 -0.57 -3.39 116.57 114.04 1trv h LYS 48 Ca -0.06 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.14 1trv h LYS 48 Cb 1.23 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.46 1trv h LYS 48 CO 0.02 0.26 -0.82 0.66 -3.45 0.00 0.00 179.45 176.12 1trv n TYR 49 N -3.02 1.09 0.80 1.91 4.01 0.18 -4.92 117.16 117.20 1trv n TYR 49 Ca -0.01 -3.78 0.07 0.00 -0.16 0.00 0.00 57.90 54.03 1trv n TYR 49 Cb 0.68 -0.22 0.40 0.00 -0.31 0.00 0.00 39.34 39.89 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 2.10 0.00 -1.45 7.72 3.41 -1.25 -1.83 113.62 122.32 1trv n SER 50 Ca 0.25 -0.22 0.10 0.00 -0.26 0.00 0.00 58.87 58.74 1trv n SER 50 Cb 0.44 -0.12 0.33 0.00 -0.26 0.00 0.00 64.21 64.60 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 -1.12 4.26 -4.09 4.04 5.15 -1.26 -4.90 115.26 117.34 1trv n ASN 51 Ca 0.09 -2.26 -0.19 0.00 -0.60 0.00 0.00 54.58 51.63 1trv n ASN 51 Cb 0.08 -0.53 -0.13 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 -1.53 0.90 -0.29 3.44 1.01 -0.76 -4.69 120.40 118.47 1trv s VAL 52 Ca 0.48 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 1trv s VAL 52 Cb 0.29 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1trv s VAL 52 CO 0.27 0.01 0.22 -0.63 0.00 0.00 0.00 175.10 174.97 1trv s ILE 53 N -0.73 5.29 -0.14 2.22 -1.09 -1.19 -4.83 121.20 120.74 1trv s ILE 53 Ca 0.00 0.14 -0.02 0.00 -2.23 0.00 0.00 60.65 58.54 1trv s ILE 53 Cb -0.07 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.21 1trv s ILE 53 CO 0.01 0.19 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.48 1trv s PHE 54 N 1.79 2.96 0.42 3.97 0.08 -1.26 -1.03 117.98 124.90 1trv s PHE 54 Ca 0.08 -0.35 0.07 0.00 0.12 0.00 0.00 56.93 56.85 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 -0.04 0.32 -0.51 -0.10 0.00 0.00 175.22 175.00 1trv s LEU 55 N 0.23 3.28 -0.22 -0.37 1.02 -0.92 -3.21 118.68 118.48 1trv s LEU 55 Ca -0.04 -0.87 -0.04 0.00 0.02 0.00 0.00 54.13 53.20 1trv s LEU 55 Cb -0.14 -1.83 0.09 0.00 0.02 0.00 0.00 46.19 44.32 1trv s LEU 55 CO 0.04 -0.64 0.17 -0.70 0.02 0.00 0.00 176.35 175.24 1trv s GLU 56 N -4.07 0.17 0.11 1.70 2.12 -0.38 -2.35 118.70 116.00 1trv s GLU 56 Ca 0.46 -0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.73 1trv s GLU 56 Cb -0.01 -1.33 -0.04 0.00 0.26 0.00 0.00 34.13 33.01 1trv s GLU 56 CO 0.26 -0.79 0.08 0.08 -0.54 0.00 0.00 175.26 174.35 1trv s VAL 57 N 2.22 4.41 -0.20 3.70 1.01 -0.21 -1.39 120.40 129.93 1trv s VAL 57 Ca 0.06 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1trv s VAL 57 Cb -0.16 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1trv s VAL 57 CO -0.19 0.04 -0.12 -0.62 0.00 0.00 0.00 175.10 174.20 1trv s ASP 58 N -2.64 3.73 0.00 3.32 2.15 -1.26 -2.91 116.67 119.06 1trv s ASP 58 Ca 0.29 -0.56 0.02 0.00 0.43 0.00 0.00 52.55 52.73 1trv s ASP 58 Cb -0.11 -1.60 0.09 0.00 -0.30 0.00 0.00 42.92 41.00 1trv s ASP 58 CO 0.22 -0.02 0.39 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 -0.63 118.33 122.59 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 -0.46 -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 2.94 0.11 -1.34 9.92 -1.26 -4.32 116.55 122.00 1trv n ASP 60 Ca 0.01 -0.00 0.08 0.00 -0.53 0.00 0.00 54.79 54.35 1trv n ASP 60 Cb 0.01 -0.02 0.01 0.00 -0.64 0.00 0.00 41.12 40.47 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 -0.91 -2.24 3.58 -1.87 -3.36 116.42 111.61 1trv h ASP 61 Ca -0.02 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.93 1trv h ASP 61 Cb 1.03 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 41.66 1trv h ASP 61 CO -0.01 0.21 -0.87 0.00 -2.88 0.00 0.00 179.24 175.69 1trv n ALA 62 N -2.23 4.57 0.24 -0.78 0.00 0.19 -4.74 120.51 117.77 1trv n ALA 62 Ca -0.02 -3.73 0.12 0.00 0.00 0.00 0.00 53.44 49.82 1trv n ALA 62 Cb 0.64 -0.50 0.66 0.00 0.00 0.00 0.00 19.45 20.26 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 2.40 0.00 -0.29 0.00 4.20 -1.71 0.45 115.11 120.15 1trv h GLN 63 Ca 0.25 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.77 1trv h GLN 63 Cb 1.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 1trv h GLN 63 CO 0.68 0.00 -0.54 0.38 -0.67 0.00 0.00 178.83 178.68 1trv h ASP 64 N 0.00 0.97 0.94 1.46 2.03 -1.91 -2.68 116.42 117.23 1trv h ASP 64 Ca 0.00 -0.52 -0.21 0.00 -0.73 0.00 0.00 57.03 55.58 1trv h ASP 64 Cb 0.43 -0.28 -0.03 0.00 -0.83 0.00 0.00 39.33 38.62 1trv h ASP 64 CO 0.00 1.31 -0.98 0.58 -1.03 0.00 0.00 179.24 179.12 1trv h VAL 65 N 0.67 1.68 -0.81 4.15 2.07 -1.24 -3.24 116.25 119.53 1trv h VAL 65 Ca 0.02 -3.28 -0.03 0.00 0.82 0.00 0.00 66.70 64.22 1trv h VAL 65 Cb 1.15 2.79 -0.04 0.00 -1.52 0.00 0.00 31.29 33.67 1trv h VAL 65 CO 0.12 0.94 0.37 0.00 0.02 0.00 0.00 177.57 179.02 1trv h ALA 66 N 1.00 1.12 0.00 1.67 0.00 -1.38 -1.53 119.26 120.14 1trv h ALA 66 Ca -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1trv h ALA 66 Cb 1.72 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1trv h ALA 66 CO 0.13 0.65 -0.21 1.03 0.00 0.00 0.00 179.25 180.85 1trv h SER 67 N 1.16 0.00 0.88 0.00 0.87 -1.50 0.27 113.55 115.23 1trv h SER 67 Ca 0.28 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 1trv h SER 67 Cb 0.15 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1trv h SER 67 CO -0.03 0.21 -0.42 -0.08 -0.53 0.00 0.00 176.83 175.98 1trv h GLU 68 N 0.00 -1.13 -0.00 2.24 4.57 -1.31 -2.52 114.58 116.43 1trv h GLU 68 Ca -0.00 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1trv h GLU 68 Cb 0.43 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1trv h GLU 68 CO 0.03 -0.75 0.00 0.00 -1.18 0.00 0.00 179.01 177.11 1trv n ALA 69 N -2.64 2.66 -3.60 2.92 0.00 -1.16 -4.92 120.51 113.77 1trv n ALA 69 Ca -0.15 -0.25 -0.27 0.00 0.00 0.00 0.00 53.44 52.77 1trv n ALA 69 Cb 0.47 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.74 -1.94 -2.77 0.00 -0.58 0.88 -4.87 120.64 110.63 1trv n GLU 70 Ca 0.23 0.56 -0.42 0.00 -0.42 0.00 0.00 57.16 57.11 1trv n GLU 70 Cb 0.16 -4.63 -0.04 0.00 -0.57 0.00 0.00 31.44 26.36 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1trv s VAL 71 N -3.49 4.21 -0.21 2.62 1.01 -0.72 -4.83 120.40 118.99 1trv s VAL 71 Ca 0.40 0.17 0.15 0.00 0.00 0.00 0.00 61.98 62.70 1trv s VAL 71 Cb -0.12 -4.67 0.55 0.00 0.00 0.00 0.00 36.38 32.14 1trv s VAL 71 CO 0.83 -1.38 1.47 0.29 0.00 0.00 0.00 175.10 176.31 1trv n LYS 72 N 7.98 2.89 -3.20 2.72 4.76 -1.26 -4.87 118.16 127.18 1trv n LYS 72 Ca 0.01 -2.92 0.00 0.00 -2.87 0.00 0.00 58.31 52.53 1trv n LYS 72 Cb 0.47 -1.88 -0.02 0.00 -1.84 0.00 0.00 35.03 31.76 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 -2.90 -1.99 0.15 7.82 0.00 -1.26 -5.16 121.76 118.42 1trv s ALA 73 Ca 0.44 1.24 0.04 0.00 0.00 0.00 0.00 51.96 53.67 1trv s ALA 73 Cb 0.36 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 1trv s ALA 73 CO 0.08 -1.54 0.19 0.95 0.00 0.00 0.00 175.76 175.45 1trv s THR 74 N 2.76 4.86 0.66 0.00 -4.23 -1.26 -4.17 115.64 114.25 1trv s THR 74 Ca 0.15 -0.87 -0.11 0.00 -1.18 0.00 0.00 61.69 59.68 1trv s THR 74 Cb -0.13 -3.47 -0.01 0.00 1.34 0.00 0.00 72.50 70.23 1trv s THR 74 CO -0.23 -0.07 1.05 -2.16 -0.54 0.00 0.00 174.62 172.67 1trv s PRO 75 N -3.06 3.21 -0.05 3.99 0.04 -1.26 -4.96 135.00 132.91 1trv s PRO 75 Ca 0.32 0.87 -0.13 0.00 0.04 0.00 0.00 61.00 62.11 1trv s PRO 75 Cb -0.11 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.43 1trv s PRO 75 CO 0.25 -0.88 0.29 0.99 0.04 0.00 0.00 177.00 177.70 1trv s THR 76 N -3.10 0.04 0.05 1.26 2.01 -0.83 -3.26 115.64 111.81 1trv s THR 76 Ca 0.57 -0.32 0.08 0.00 0.31 0.00 0.00 61.69 62.33 1trv s THR 76 Cb -0.13 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1trv s THR 76 CO 0.54 -0.18 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.72 1trv s PHE 77 N -0.78 1.90 0.06 4.92 0.40 -0.97 -0.81 117.98 122.70 1trv s PHE 77 Ca -0.09 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1trv s PHE 77 Cb -0.04 -1.12 -0.03 0.00 0.51 0.00 0.00 43.02 42.34 1trv s PHE 77 CO 0.03 0.12 -0.16 -0.65 0.70 0.00 0.00 175.22 175.25 1trv s GLN 78 N -1.30 1.00 -0.32 0.44 -0.21 -1.14 -2.18 119.66 115.96 1trv s GLN 78 Ca 0.08 -0.89 -0.05 0.00 0.02 0.00 0.00 55.36 54.52 1trv s GLN 78 Cb -0.09 -1.06 0.03 0.00 1.00 0.00 0.00 33.01 32.89 1trv s GLN 78 CO 0.02 0.26 0.07 -0.06 -2.12 0.00 0.00 175.29 173.45 1trv s PHE 79 N -0.99 3.22 0.13 0.91 0.40 0.11 -1.73 117.98 120.02 1trv s PHE 79 Ca 0.02 -1.41 0.07 0.00 -0.60 0.00 0.00 56.93 55.00 1trv s PHE 79 Cb -0.09 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 1trv s PHE 79 CO 0.02 -0.71 -0.03 -0.06 0.70 0.00 0.00 175.22 175.14 1trv s PHE 80 N 1.39 2.86 -0.18 0.36 0.08 0.21 -1.90 117.98 120.79 1trv s PHE 80 Ca -0.01 -0.11 -0.12 0.00 0.12 0.00 0.00 56.93 56.81 1trv s PHE 80 Cb -0.19 -1.44 0.06 0.00 -0.57 0.00 0.00 43.02 40.88 1trv s PHE 80 CO 0.01 0.48 0.44 0.21 -0.10 0.00 0.00 175.22 176.27 1trv s LYS 81 N -2.56 0.45 -1.32 0.44 2.20 -0.63 -1.72 119.74 116.61 1trv s LYS 81 Ca 0.25 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1trv s LYS 81 Cb -0.10 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.28 1trv s LYS 81 CO 0.17 -0.13 0.00 1.63 -0.36 0.00 0.00 175.35 176.66 1trv n LYS 82 N 3.88 -1.57 -2.03 4.03 5.02 -1.26 0.77 118.16 126.99 1trv n LYS 82 Ca -0.20 0.74 -0.04 0.00 -2.02 0.00 0.00 58.31 56.78 1trv n LYS 82 Cb 0.56 -5.10 -0.00 0.00 -0.02 0.00 0.00 35.03 30.47 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 -0.43 0.22 2.88 0.72 0.00 -1.26 -5.03 105.19 102.28 1trv n GLY 83 Ca -0.14 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.12 0.95 -0.01 1.61 -1.52 0.23 -5.10 119.66 111.70 1trv s GLN 84 Ca 0.00 -0.10 -0.30 0.00 -1.95 0.00 0.00 55.36 53.01 1trv s GLN 84 Cb 0.00 -1.02 -0.07 0.00 -0.22 0.00 0.00 33.01 31.71 1trv s GLN 84 CO 0.00 -0.14 1.66 0.21 -0.25 0.00 0.00 175.29 176.76 1trv s LYS 85 N 1.23 4.19 -0.01 2.91 2.20 -1.26 -1.60 119.74 127.41 1trv s LYS 85 Ca -0.06 2.24 0.06 0.00 -0.36 0.00 0.00 55.97 57.86 1trv s LYS 85 Cb -0.14 -3.85 -0.08 0.00 -1.51 0.00 0.00 37.83 32.25 1trv s LYS 85 CO -0.02 -0.80 0.17 1.33 -0.36 0.00 0.00 175.35 175.67 1trv n VAL 86 N 5.19 0.00 -3.56 4.02 0.24 -0.80 -4.96 118.33 118.45 1trv n VAL 86 Ca 0.17 -0.21 -0.06 0.00 -2.04 0.00 0.00 64.34 62.20 1trv n VAL 86 Cb 0.42 0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 33.35 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 -2.30 -0.36 -0.03 7.63 0.00 -1.18 -5.03 107.32 106.06 1trv s GLY 87 Ca -0.01 1.38 -0.30 0.00 0.00 0.00 0.00 44.72 45.79 1trv s GLY 87 CO 0.25 0.46 1.14 -1.83 0.00 0.00 0.00 173.10 173.11 1trv s GLU 88 N -2.68 0.60 -0.09 2.90 4.04 -1.26 0.06 118.70 122.27 1trv s GLU 88 Ca 0.08 -0.29 -0.32 0.00 0.04 0.00 0.00 54.97 54.48 1trv s GLU 88 Cb -0.01 0.23 0.12 0.00 0.02 0.00 0.00 34.13 34.49 1trv s GLU 88 CO -0.06 -0.27 1.03 -0.59 -1.84 0.00 0.00 175.26 173.53 1trv s PHE 89 N -2.70 -0.25 0.00 4.83 -0.12 -0.93 -4.99 117.98 113.82 1trv s PHE 89 Ca 0.11 0.17 0.06 0.00 -0.05 0.00 0.00 56.93 57.22 1trv s PHE 89 Cb 0.01 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.91 1trv s PHE 89 CO -0.04 -0.39 -0.19 -1.54 -0.05 0.00 0.00 175.22 173.02 1trv s SER 90 N -2.30 2.24 0.00 1.98 1.04 -1.26 -2.28 113.70 113.13 1trv s SER 90 Ca 0.07 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1trv s SER 90 Cb -0.01 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1trv s SER 90 CO -0.07 0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1trv n GLY 91 N 2.39 4.16 1.54 7.32 0.00 -1.20 -4.96 105.19 114.44 1trv n GLY 91 Ca -0.16 -0.40 -0.01 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 -1.21 4.16 -3.35 4.61 0.00 -1.26 -4.68 120.51 118.78 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 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 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 1.96 7.20 0.49 0.00 3.04 -1.26 -4.86 114.94 121.51 1trv s ASN 93 Ca 0.05 -3.47 0.15 0.00 0.04 0.00 0.00 52.86 49.63 1trv s ASN 93 Cb 0.02 -2.20 1.17 0.00 -1.54 0.00 0.00 41.25 38.71 1trv s ASN 93 CO -0.00 -0.33 2.09 0.07 -3.04 0.00 0.00 177.10 175.90 1trv h LYS 94 N 6.81 0.16 -0.09 0.43 2.10 -1.98 -0.97 116.57 123.02 1trv h LYS 94 Ca 0.17 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.72 1trv h LYS 94 Cb 0.90 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.18 1trv h LYS 94 CO 0.97 0.10 -0.36 0.93 -2.00 0.00 0.00 179.45 179.09 1trv h GLU 95 N 0.16 0.19 -0.23 0.07 5.08 -1.99 -2.67 114.58 115.19 1trv h GLU 95 Ca 0.09 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1trv h GLU 95 Cb 0.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1trv h GLU 95 CO -0.02 0.53 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.30 1trv h LYS 96 N 0.17 0.34 -0.95 2.33 3.64 -1.58 -2.12 116.57 118.40 1trv h LYS 96 Ca 0.02 -0.06 0.23 0.00 -1.27 0.00 0.00 60.65 59.57 1trv h LYS 96 Cb 0.72 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.41 1trv h LYS 96 CO 0.05 0.38 0.63 -0.07 -2.27 0.00 0.00 179.45 178.17 1trv h LEU 97 N 0.34 0.38 0.51 5.20 3.38 -1.48 0.21 115.31 123.85 1trv h LEU 97 Ca 0.08 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1trv h LEU 97 Cb 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1trv h LEU 97 CO 0.01 0.13 -0.24 -0.08 0.09 0.00 0.00 178.44 178.34 1trv h GLU 98 N 0.36 -0.66 -0.22 1.13 4.57 -1.53 0.21 114.58 118.45 1trv h GLU 98 Ca 0.50 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.79 1trv h GLU 98 Cb 1.34 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 30.07 1trv h GLU 98 CO -0.19 -0.44 0.17 0.00 -1.18 0.00 0.00 179.01 177.37 1trv h ALA 99 N -1.63 2.10 -0.16 2.92 0.00 -1.51 -1.57 119.26 119.41 1trv h ALA 99 Ca -0.07 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1trv h ALA 99 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1trv h ALA 99 CO 0.11 -0.28 -0.36 1.15 0.00 0.00 0.00 179.25 179.87 1trv h THR 100 N 0.00 1.35 -0.57 0.00 2.02 -0.31 -3.01 112.91 112.39 1trv h THR 100 Ca 0.10 -1.63 0.03 0.00 0.77 0.00 0.00 66.41 65.68 1trv h THR 100 Cb 0.45 1.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.82 1trv h THR 100 CO -0.00 0.49 0.37 0.40 0.37 0.00 0.00 175.52 177.16 1trv h ILE 101 N 0.15 1.08 0.00 3.11 2.04 0.42 0.43 117.51 124.74 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 0.97 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1trv h ILE 101 CO 0.08 0.12 0.00 -3.20 0.00 0.00 0.00 178.15 175.15 1trv n ASN 102 N -4.47 0.00 -0.02 1.72 5.15 -0.99 -2.27 115.26 114.38 1trv n ASN 102 Ca 0.06 -0.92 -0.06 0.00 -0.60 0.00 0.00 54.58 53.06 1trv n ASN 102 Cb 0.13 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.32 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 -0.07 -0.46 1.20 4.81 -0.00 -3.35 114.58 116.71 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 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 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 -4.78 4.89 0.00 1.64 4.77 -1.23 -5.13 117.00 117.16 1trv n LEU 104 Ca -0.05 -2.90 0.01 0.00 -0.03 0.00 0.00 56.01 53.04 1trv n LEU 104 Cb 0.20 -0.61 0.08 0.00 -2.33 0.00 0.00 43.42 40.76 1trv n LEU 104 CO 0.15 0.67 0.32 0.55 -1.33 0.00 0.00 177.39 177.75