#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1trv s VAL 2 N 0.00 0.06 -0.17 2.03 1.01 -1.26 -4.11 120.40 117.96 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 -2.50 0.07 0.00 0.00 0.00 0.00 36.38 33.95 1trv s VAL 2 CO 0.00 0.00 0.39 -0.75 0.00 0.00 0.00 175.10 174.74 1trv s LYS 3 N -3.84 0.32 -0.02 2.72 2.20 -1.18 -5.02 119.74 114.92 1trv s LYS 3 Ca 0.39 0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 56.59 1trv s LYS 3 Cb 0.05 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.48 1trv s LYS 3 CO 0.19 -0.22 0.97 -1.14 -0.36 0.00 0.00 175.35 174.79 1trv s GLN 4 N 2.10 4.54 -0.18 4.03 0.74 -1.26 -1.40 119.66 128.22 1trv s GLN 4 Ca -0.04 1.39 -0.18 0.00 0.05 0.00 0.00 55.36 56.57 1trv s GLN 4 Cb -0.11 -3.47 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 1trv s GLN 4 CO -0.12 -0.08 0.49 0.42 -0.55 0.00 0.00 175.29 175.45 1trv s ILE 5 N 1.13 5.13 -0.08 -2.34 -1.09 -0.58 -4.93 121.20 118.44 1trv s ILE 5 Ca 0.51 0.92 0.14 0.00 -2.23 0.00 0.00 60.65 59.99 1trv s ILE 5 Cb -0.20 -3.82 -0.23 0.00 -1.58 0.00 0.00 42.46 36.63 1trv s ILE 5 CO 0.26 0.22 0.56 -0.62 -1.23 0.00 0.00 174.94 174.12 1trv n GLU 6 N 4.53 0.64 -0.37 2.79 4.71 -1.26 -4.48 120.64 127.20 1trv n GLU 6 Ca -0.06 0.23 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 1trv n GLU 6 Cb 0.51 -1.74 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1trv n SER 7 N -2.97 0.00 0.15 1.62 3.41 -1.26 -4.25 113.62 110.32 1trv n SER 7 Ca -0.19 -0.35 0.05 0.00 -0.26 0.00 0.00 58.87 58.11 1trv n SER 7 Cb 1.05 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 65.05 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 -0.02 4.33 3.64 -1.94 -3.15 116.57 119.44 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 0.37 -0.03 1.15 -2.27 0.00 0.00 179.45 178.67 1trv h THR 9 N 0.00 0.91 -0.11 1.00 2.02 -2.00 -1.48 112.91 113.24 1trv h THR 9 Ca -0.01 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 1trv h THR 9 Cb 1.31 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1trv h THR 9 CO 0.05 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 175.54 1trv h ALA 10 N 0.96 1.12 0.02 6.16 0.00 -1.98 -2.49 119.26 123.06 1trv h ALA 10 Ca 0.02 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1trv h ALA 10 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1trv h ALA 10 CO -0.05 0.58 -0.04 0.35 0.00 0.00 0.00 179.25 180.09 1trv h PHE 11 N 0.21 -0.11 0.09 0.00 3.57 -1.35 0.52 116.94 119.87 1trv h PHE 11 Ca 0.02 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1trv h PHE 11 Cb 0.80 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1trv h PHE 11 CO 0.01 -0.07 -0.05 0.37 -2.23 0.00 0.00 178.31 176.35 1trv h GLN 12 N -0.09 -0.12 0.00 1.11 5.75 -1.21 -2.19 115.11 118.35 1trv h GLN 12 Ca 0.01 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1trv h GLN 12 Cb 0.10 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 1trv h GLN 12 CO -0.03 0.07 -0.02 0.93 -2.65 0.00 0.00 178.83 177.13 1trv h GLU 13 N -0.30 0.00 -0.13 1.69 3.07 -1.29 -2.01 114.58 115.61 1trv h GLU 13 Ca -0.01 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 1trv h GLU 13 Cb 0.25 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1trv h GLU 13 CO 0.02 0.02 -0.04 0.00 -1.40 0.00 0.00 179.01 177.61 1trv h ALA 14 N 1.98 0.19 0.00 3.43 0.00 0.64 -1.92 119.26 123.58 1trv h ALA 14 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1trv h ALA 14 Cb 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1trv h ALA 14 CO 0.00 -0.06 -0.11 -0.07 0.00 0.00 0.00 179.25 179.01 1trv h LEU 15 N -0.05 0.00 -0.06 0.00 3.38 -0.87 -1.34 115.31 116.37 1trv h LEU 15 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1trv h LEU 15 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1trv h LEU 15 CO 0.01 0.11 -0.13 -0.78 0.09 0.00 0.00 178.44 177.75 1trv h ASP 16 N 0.00 0.22 1.15 -0.43 3.58 -0.96 -3.08 116.42 116.90 1trv h ASP 16 Ca -0.00 -0.57 -0.01 0.00 0.42 0.00 0.00 57.03 56.87 1trv h ASP 16 Cb 0.35 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 1trv h ASP 16 CO 0.01 0.74 -0.03 0.00 -2.88 0.00 0.00 179.24 177.08 1trv h ALA 17 N 0.48 1.00 0.00 -0.78 0.00 -1.04 -2.84 119.26 116.08 1trv h ALA 17 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1trv h ALA 17 Cb 0.71 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1trv h ALA 17 CO 0.03 0.04 -0.24 0.00 0.00 0.00 0.00 179.25 179.08 1trv h ALA 18 N 1.97 1.55 0.00 0.00 0.00 -1.16 -3.47 119.26 118.14 1trv h ALA 18 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1trv h ALA 18 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1trv h ALA 18 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1trv n GLY 19 N -0.79 1.63 0.00 0.00 0.00 -1.07 -3.61 105.19 101.35 1trv n GLY 19 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 7.12 0.00 -4.49 1.61 9.92 -1.26 -4.56 116.55 124.88 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 -0.53 0.00 0.00 54.79 52.97 1trv n ASP 20 Cb 0.00 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 40.64 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1trv s LYS 21 N 0.00 0.72 0.75 -1.24 1.02 -1.24 -4.37 119.74 115.38 1trv s LYS 21 Ca 0.00 0.06 -0.14 0.00 0.02 0.00 0.00 55.97 55.91 1trv s LYS 21 Cb 0.00 -1.81 0.05 0.00 -0.52 0.00 0.00 37.83 35.55 1trv s LYS 21 CO 0.00 -2.44 1.17 -1.17 -0.92 0.00 0.00 175.35 172.00 1trv s LEU 22 N -6.11 3.25 -0.28 3.17 0.20 -1.26 -4.31 118.68 113.34 1trv s LEU 22 Ca 0.67 2.24 -0.00 0.00 0.69 0.00 0.00 54.13 57.73 1trv s LEU 22 Cb -0.11 -4.58 0.14 0.00 -0.43 0.00 0.00 46.19 41.21 1trv s LEU 22 CO 0.53 -2.25 0.32 -0.69 -0.29 0.00 0.00 176.35 173.97 1trv s VAL 23 N -2.19 -0.47 0.56 1.68 1.01 0.01 -3.11 120.40 117.89 1trv s VAL 23 Ca 0.71 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1trv s VAL 23 Cb -0.26 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1trv s VAL 23 CO 0.47 -0.40 0.82 -0.69 0.00 0.00 0.00 175.10 175.30 1trv s VAL 24 N 2.41 3.26 0.02 2.92 1.01 -0.54 -0.20 120.40 129.28 1trv s VAL 24 Ca 0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1trv s VAL 24 Cb -0.14 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1trv s VAL 24 CO -0.31 -0.22 -0.00 -0.69 0.00 0.00 0.00 175.10 173.88 1trv s VAL 25 N -2.84 0.11 -0.26 2.92 1.01 -0.58 -2.40 120.40 118.36 1trv s VAL 25 Ca 0.54 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1trv s VAL 25 Cb -0.10 -0.31 0.06 0.00 0.00 0.00 0.00 36.38 36.03 1trv s VAL 25 CO 0.41 -0.49 -0.08 -0.62 0.00 0.00 0.00 175.10 174.32 1trv s ASP 26 N -1.48 4.30 -0.52 3.32 -1.08 -0.99 -2.90 116.67 117.31 1trv s ASP 26 Ca -0.15 -1.40 -0.15 0.00 -0.52 0.00 0.00 52.55 50.32 1trv s ASP 26 Cb -0.09 -1.44 0.12 0.00 -1.46 0.00 0.00 42.92 40.05 1trv s ASP 26 CO -0.01 -0.22 0.47 -0.36 0.52 0.00 0.00 175.17 175.57 1trv s PHE 27 N 1.18 3.26 0.00 -5.34 0.40 -0.02 -1.20 117.98 116.26 1trv s PHE 27 Ca -0.06 -1.27 0.00 0.00 -0.60 0.00 0.00 56.93 55.00 1trv s PHE 27 Cb -0.20 -3.66 0.00 0.00 0.51 0.00 0.00 43.02 39.67 1trv s PHE 27 CO -0.06 -0.98 0.00 -1.13 0.70 0.00 0.00 175.22 173.75 1trv n SER 28 N 5.22 1.79 -3.73 1.36 3.41 -1.16 -1.49 113.62 119.02 1trv n SER 28 Ca -0.13 -0.55 -0.27 0.00 -0.26 0.00 0.00 58.87 57.66 1trv n SER 28 Cb 0.41 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.00 0.91 0.02 7.33 0.00 -1.26 -3.10 121.76 123.66 1trv s ALA 29 Ca 0.00 -0.57 -0.22 0.00 0.00 0.00 0.00 51.96 51.18 1trv s ALA 29 Cb 0.00 -1.09 -0.16 0.00 0.00 0.00 0.00 23.12 21.87 1trv s ALA 29 CO 0.00 -1.05 1.32 0.00 0.00 0.00 0.00 175.76 176.03 1trv h THR 30 N 6.47 1.36 -0.16 0.00 1.03 -1.95 -2.67 112.91 117.00 1trv h THR 30 Ca -0.17 -1.28 0.05 0.00 -0.01 0.00 0.00 66.41 65.00 1trv h THR 30 Cb 1.12 1.97 -0.01 0.00 -1.07 0.00 0.00 68.15 70.17 1trv h THR 30 CO 0.32 0.37 0.36 4.11 -0.01 0.00 0.00 175.52 180.67 1trv h TRP 31 N -0.14 0.00 -3.64 0.00 5.08 -2.01 -3.40 115.95 111.84 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 0.64 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.80 1trv h TRP 31 CO 0.09 0.00 0.09 0.00 -1.28 0.00 0.00 178.44 177.34 1trv n GLY 33 N -1.31 -0.59 0.22 0.00 0.00 -1.26 -3.99 105.19 98.25 1trv n GLY 33 Ca 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.27 0.00 1.61 0.11 -1.96 0.47 132.00 132.23 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 0.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1trv h PRO 34 CO 0.00 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 177.97 1trv n LYS 36 N -1.45 0.65 0.00 0.00 4.81 0.16 -3.98 118.16 118.35 1trv n LYS 36 Ca 0.02 0.03 0.09 0.00 -0.87 0.00 0.00 58.31 57.58 1trv n LYS 36 Cb 0.08 -1.65 0.49 0.00 0.02 0.00 0.00 35.03 33.98 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 -2.66 0.43 -0.23 1.64 2.81 -0.66 -1.99 117.12 116.46 1trv n MET 37 Ca -0.14 0.05 0.12 0.00 -1.81 0.00 0.00 57.70 55.92 1trv n MET 37 Cb 0.83 -1.50 0.25 0.00 -0.71 0.00 0.00 33.22 32.09 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 -1.11 0.60 0.08 2.02 5.41 -1.25 -4.33 119.36 120.78 1trv n ILE 38 Ca 0.11 -0.78 -0.04 0.00 1.00 0.00 0.00 62.75 63.04 1trv n ILE 38 Cb 0.09 0.84 -0.08 0.00 -0.71 0.00 0.00 39.64 39.78 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 4.34 0.00 0.00 0.38 2.10 -1.64 -3.19 116.57 118.57 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 0.80 0.00 -0.35 -2.00 0.00 0.00 179.45 177.90 1trv n PRO 40 N -3.28 0.17 -0.06 0.07 -0.05 -1.26 -1.10 135.00 129.49 1trv n PRO 40 Ca -0.01 0.42 -0.04 0.00 -0.05 0.00 0.00 63.50 63.82 1trv n PRO 40 Cb 0.88 -1.84 -0.02 0.00 -0.05 0.00 0.00 33.50 32.46 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 0.26 0.54 -1.00 -1.84 -2.95 116.94 111.96 1trv h PHE 41 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1trv h PHE 41 Cb 0.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.89 1trv h PHE 41 CO 0.00 0.16 -0.12 0.35 -1.61 0.00 0.00 178.31 177.08 1trv h PHE 42 N -1.00 -0.32 0.00 -0.55 3.57 -1.55 -2.23 116.94 114.85 1trv h PHE 42 Ca -0.02 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1trv h PHE 42 Cb 0.37 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1trv h PHE 42 CO -0.07 -0.16 -0.02 1.25 -2.23 0.00 0.00 178.31 177.07 1trv h HIS 43 N -0.40 0.00 -0.17 0.41 2.76 -1.31 -1.03 115.15 115.41 1trv h HIS 43 Ca -0.04 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.03 1trv h HIS 43 Cb 0.31 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1trv h HIS 43 CO -0.04 0.02 -0.34 1.03 -1.30 0.00 0.00 177.93 177.30 1trv h SER 44 N 0.00 0.36 -0.15 3.26 0.87 -1.22 -2.37 113.55 114.30 1trv h SER 44 Ca -0.00 -0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1trv h SER 44 Cb 0.06 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1trv h SER 44 CO 0.00 0.68 0.11 -0.07 -0.53 0.00 0.00 176.83 177.03 1trv h LEU 45 N 0.30 0.00 -0.83 2.23 3.38 -0.97 -2.19 115.31 117.24 1trv h LEU 45 Ca 0.04 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.20 1trv h LEU 45 Cb 0.74 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 1trv h LEU 45 CO 0.06 0.00 0.28 0.28 0.09 0.00 0.00 178.44 179.15 1trv h SER 46 N 0.00 0.16 0.82 -0.43 0.02 -1.50 0.29 113.55 112.91 1trv h SER 46 Ca 0.07 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1trv h SER 46 Cb 0.30 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1trv h SER 46 CO -0.00 -0.03 -0.78 -0.33 -1.14 0.00 0.00 176.83 174.55 1trv h GLU 47 N 0.33 0.00 0.07 3.45 5.08 -1.58 -3.33 114.58 118.60 1trv h GLU 47 Ca 0.50 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.58 1trv h GLU 47 Cb 0.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1trv h GLU 47 CO -0.53 0.00 -1.39 -0.22 -1.00 0.00 0.00 179.01 175.86 1trv h LYS 48 N 0.00 0.14 -2.54 2.33 1.63 -0.69 -3.40 116.57 114.05 1trv h LYS 48 Ca 0.00 -0.24 -0.60 0.00 -0.85 0.00 0.00 60.65 58.96 1trv h LYS 48 Cb 0.80 0.09 -0.41 0.00 -0.60 0.00 0.00 32.23 32.11 1trv h LYS 48 CO 0.00 0.99 -0.75 0.66 -3.45 0.00 0.00 179.45 176.89 1trv n TYR 49 N -3.36 1.82 0.80 1.91 4.01 0.77 -4.90 117.16 118.20 1trv n TYR 49 Ca -0.11 -3.93 0.06 0.00 -0.16 0.00 0.00 57.90 53.76 1trv n TYR 49 Cb 1.02 -0.36 0.38 0.00 -0.31 0.00 0.00 39.34 40.07 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 1.82 0.00 -1.34 7.72 3.41 -1.25 -1.58 113.62 122.40 1trv n SER 50 Ca 0.25 -0.36 0.11 0.00 -0.26 0.00 0.00 58.87 58.60 1trv n SER 50 Cb 0.42 -0.02 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 -1.02 3.91 -4.20 4.04 5.15 -1.26 -4.91 115.26 116.97 1trv n ASN 51 Ca 0.09 -2.08 -0.20 0.00 -0.60 0.00 0.00 54.58 51.79 1trv n ASN 51 Cb 0.05 -0.49 -0.12 0.00 -0.53 0.00 0.00 39.78 38.69 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 -1.22 1.27 -0.27 3.44 1.01 -0.61 -4.75 120.40 119.26 1trv s VAL 52 Ca 0.47 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1trv s VAL 52 Cb 0.26 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 1trv s VAL 52 CO 0.30 -0.14 0.19 -0.63 0.00 0.00 0.00 175.10 174.82 1trv s ILE 53 N -1.18 5.31 -0.14 2.22 -1.09 -1.18 -4.96 121.20 120.18 1trv s ILE 53 Ca 0.01 0.19 -0.02 0.00 -2.23 0.00 0.00 60.65 58.60 1trv s ILE 53 Cb -0.10 -3.53 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 1trv s ILE 53 CO 0.03 0.26 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.55 1trv s PHE 54 N 1.69 2.91 0.39 3.97 0.08 -1.26 -1.47 117.98 124.30 1trv s PHE 54 Ca 0.07 -0.51 0.08 0.00 0.12 0.00 0.00 56.93 56.69 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 0.10 -0.15 0.28 -0.51 -0.10 0.00 0.00 175.22 174.84 1trv s LEU 55 N 0.40 3.34 -0.23 -0.37 1.02 -1.01 -3.11 118.68 118.72 1trv s LEU 55 Ca -0.07 -0.79 -0.04 0.00 0.02 0.00 0.00 54.13 53.24 1trv s LEU 55 Cb -0.15 -1.88 0.09 0.00 0.02 0.00 0.00 46.19 44.26 1trv s LEU 55 CO 0.04 -0.53 0.15 -0.70 0.02 0.00 0.00 176.35 175.33 1trv s GLU 56 N -4.01 0.16 0.02 1.70 2.12 -0.49 -2.34 118.70 115.84 1trv s GLU 56 Ca 0.44 -0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.59 1trv s GLU 56 Cb -0.02 -1.36 -0.04 0.00 0.26 0.00 0.00 34.13 32.97 1trv s GLU 56 CO 0.26 -0.82 0.07 0.08 -0.54 0.00 0.00 175.26 174.31 1trv s VAL 57 N 2.19 4.62 -0.19 3.70 1.01 -0.34 -1.52 120.40 129.85 1trv s VAL 57 Ca 0.06 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1trv s VAL 57 Cb -0.16 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 1trv s VAL 57 CO -0.21 0.30 -0.10 -0.62 0.00 0.00 0.00 175.10 174.47 1trv s ASP 58 N -1.87 3.98 0.00 3.32 2.15 -1.26 -2.97 116.67 120.02 1trv s ASP 58 Ca 0.24 -0.44 0.08 0.00 0.43 0.00 0.00 52.55 52.86 1trv s ASP 58 Cb -0.12 -1.66 0.42 0.00 -0.30 0.00 0.00 42.92 41.27 1trv s ASP 58 CO 0.15 0.02 1.07 1.33 -0.17 0.00 0.00 175.17 177.58 1trv n VAL 59 N 4.50 0.64 -0.11 1.11 0.24 -1.18 0.29 118.33 123.82 1trv n VAL 59 Ca -0.19 0.16 -0.20 0.00 -2.04 0.00 0.00 64.34 62.07 1trv n VAL 59 Cb 0.51 -1.03 -0.09 0.00 -1.47 0.00 0.00 33.84 31.76 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 -1.21 1.90 0.01 -1.34 9.92 -1.26 -3.71 116.55 120.86 1trv n ASP 60 Ca 0.04 0.11 -0.10 0.00 -0.53 0.00 0.00 54.79 54.32 1trv n ASP 60 Cb 0.05 -0.52 -0.13 0.00 -0.64 0.00 0.00 41.12 39.88 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 -0.47 0.06 -0.65 -2.24 1.82 -1.90 -3.35 116.42 109.69 1trv h ASP 61 Ca -0.53 -0.10 -0.45 0.00 -0.39 0.00 0.00 57.03 55.56 1trv h ASP 61 Cb 1.59 -0.02 -0.31 0.00 0.68 0.00 0.00 39.33 41.27 1trv h ASP 61 CO -0.23 1.09 -0.41 0.00 -1.61 0.00 0.00 179.24 178.07 1trv n ALA 62 N -2.53 4.98 0.18 -0.78 0.00 0.15 -4.75 120.51 117.76 1trv n ALA 62 Ca -0.13 -3.59 0.09 0.00 0.00 0.00 0.00 53.44 49.81 1trv n ALA 62 Cb 1.02 -0.61 0.49 0.00 0.00 0.00 0.00 19.45 20.35 1trv n ALA 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1trv h GLN 63 N 1.84 0.00 -0.27 0.00 3.07 -1.63 0.68 115.11 118.80 1trv h GLN 63 Ca 0.34 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.91 1trv h GLN 63 Cb 1.39 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.95 1trv h GLN 63 CO 0.75 0.00 -0.52 0.38 0.09 0.00 0.00 178.83 179.53 1trv h ASP 64 N 0.00 0.87 0.88 0.06 2.03 -1.90 -2.67 116.42 115.70 1trv h ASP 64 Ca 0.00 -0.45 -0.21 0.00 -0.73 0.00 0.00 57.03 55.63 1trv h ASP 64 Cb 0.42 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 38.64 1trv h ASP 64 CO 0.00 1.23 -1.01 0.58 -1.03 0.00 0.00 179.24 179.01 1trv h VAL 65 N 0.61 1.65 -0.79 4.15 2.07 -1.19 -3.23 116.25 119.53 1trv h VAL 65 Ca 0.02 -3.22 -0.03 0.00 0.82 0.00 0.00 66.70 64.29 1trv h VAL 65 Cb 1.10 2.79 -0.04 0.00 -1.52 0.00 0.00 31.29 33.63 1trv h VAL 65 CO 0.11 0.92 0.39 0.00 0.02 0.00 0.00 177.57 179.02 1trv h ALA 66 N 0.95 1.02 0.00 1.67 0.00 -1.43 -1.40 119.26 120.08 1trv h ALA 66 Ca -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1trv h ALA 66 Cb 1.74 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1trv h ALA 66 CO 0.14 0.57 -0.18 1.03 0.00 0.00 0.00 179.25 180.81 1trv h SER 67 N 1.11 0.00 0.79 0.00 0.87 -1.51 0.10 113.55 114.92 1trv h SER 67 Ca 0.27 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 1trv h SER 67 Cb 0.10 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1trv h SER 67 CO -0.04 0.18 -0.38 -0.08 -0.53 0.00 0.00 176.83 175.98 1trv h GLU 68 N 0.00 -1.03 -0.01 2.24 4.22 -1.27 -2.18 114.58 116.56 1trv h GLU 68 Ca -0.00 0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1trv h GLU 68 Cb 0.41 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1trv h GLU 68 CO 0.02 -0.68 0.00 0.00 -2.18 0.00 0.00 179.01 176.17 1trv n ALA 69 N -2.57 2.66 -3.49 2.92 0.00 -1.14 -4.93 120.51 113.96 1trv n ALA 69 Ca -0.15 -0.24 -0.20 0.00 0.00 0.00 0.00 53.44 52.85 1trv n ALA 69 Cb 0.43 -1.42 0.03 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.73 -1.40 -2.81 0.00 -0.58 0.31 -4.87 120.64 110.55 1trv n GLU 70 Ca 0.22 0.85 -0.43 0.00 -0.42 0.00 0.00 57.16 57.38 1trv n GLU 70 Cb 0.15 -4.35 -0.04 0.00 -0.57 0.00 0.00 31.44 26.63 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 -3.23 4.41 -0.29 2.62 1.01 -0.89 -4.85 120.40 119.18 1trv s VAL 71 Ca 0.25 0.61 0.16 0.00 0.00 0.00 0.00 61.98 63.00 1trv s VAL 71 Cb -0.08 -4.49 0.53 0.00 0.00 0.00 0.00 36.38 32.35 1trv s VAL 71 CO 0.83 -0.96 1.43 0.29 0.00 0.00 0.00 175.10 176.69 1trv n LYS 72 N 7.35 3.10 -3.19 2.72 5.02 -1.26 -4.86 118.16 127.04 1trv n LYS 72 Ca 0.05 -2.78 0.01 0.00 -2.02 0.00 0.00 58.31 53.57 1trv n LYS 72 Cb 0.48 -1.82 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 1trv n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1trv s ALA 73 N -2.59 -2.06 0.14 7.82 0.00 -1.26 -5.16 121.76 118.65 1trv s ALA 73 Ca 0.41 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.54 1trv s ALA 73 Cb 0.32 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1trv s ALA 73 CO 0.11 -1.63 0.21 0.95 0.00 0.00 0.00 175.76 175.40 1trv s THR 74 N 2.77 4.98 0.73 0.00 -4.23 -1.26 -4.20 115.64 114.44 1trv s THR 74 Ca 0.13 -0.80 -0.11 0.00 -1.18 0.00 0.00 61.69 59.73 1trv s THR 74 Cb -0.12 -3.53 0.03 0.00 1.34 0.00 0.00 72.50 70.22 1trv s THR 74 CO -0.24 -0.06 1.08 -2.16 -0.54 0.00 0.00 174.62 172.70 1trv s PRO 75 N -3.05 2.61 -0.08 3.99 0.04 -1.26 -4.93 135.00 132.32 1trv s PRO 75 Ca 0.33 0.69 -0.10 0.00 0.04 0.00 0.00 61.00 61.96 1trv s PRO 75 Cb -0.11 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.48 1trv s PRO 75 CO 0.26 -1.26 0.27 0.99 0.04 0.00 0.00 177.00 177.30 1trv s THR 76 N -3.18 0.02 0.00 1.26 2.01 -0.55 -3.27 115.64 111.93 1trv s THR 76 Ca 0.59 -0.13 0.08 0.00 0.31 0.00 0.00 61.69 62.54 1trv s THR 76 Cb -0.13 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 1trv s THR 76 CO 0.54 -0.07 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.78 1trv s PHE 77 N -0.21 2.24 0.03 4.92 0.40 -0.96 -0.84 117.98 123.57 1trv s PHE 77 Ca -0.03 -0.42 0.06 0.00 -0.60 0.00 0.00 56.93 55.94 1trv s PHE 77 Cb -0.03 -1.41 -0.02 0.00 0.51 0.00 0.00 43.02 42.07 1trv s PHE 77 CO 0.01 0.02 -0.19 -0.65 0.70 0.00 0.00 175.22 175.11 1trv s GLN 78 N -0.82 1.30 -0.36 0.44 -0.21 -1.14 -2.16 119.66 116.70 1trv s GLN 78 Ca 0.10 -0.85 -0.08 0.00 0.02 0.00 0.00 55.36 54.55 1trv s GLN 78 Cb -0.10 -1.36 0.04 0.00 1.00 0.00 0.00 33.01 32.59 1trv s GLN 78 CO 0.00 0.35 0.15 -0.06 -2.12 0.00 0.00 175.29 173.61 1trv s PHE 79 N -0.75 3.27 0.12 0.91 0.40 0.11 -1.52 117.98 120.52 1trv s PHE 79 Ca 0.06 -1.35 0.06 0.00 -0.60 0.00 0.00 56.93 55.10 1trv s PHE 79 Cb -0.08 -2.42 -0.04 0.00 0.51 0.00 0.00 43.02 40.99 1trv s PHE 79 CO 0.01 -0.73 -0.00 -0.06 0.70 0.00 0.00 175.22 175.14 1trv s PHE 80 N 1.44 2.93 -0.18 0.36 0.08 0.72 -1.68 117.98 121.64 1trv s PHE 80 Ca -0.00 -0.07 -0.10 0.00 0.12 0.00 0.00 56.93 56.88 1trv s PHE 80 Cb -0.20 -1.48 0.06 0.00 -0.57 0.00 0.00 43.02 40.83 1trv s PHE 80 CO 0.04 0.49 0.44 0.21 -0.10 0.00 0.00 175.22 176.29 1trv s LYS 81 N -2.51 0.43 -1.32 0.44 2.20 -0.56 -0.81 119.74 117.60 1trv s LYS 81 Ca 0.26 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 1trv s LYS 81 Cb -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 1trv s LYS 81 CO 0.18 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.65 1trv n LYS 82 N 4.21 -1.40 -1.68 4.03 5.02 -1.26 0.82 118.16 127.89 1trv n LYS 82 Ca -0.23 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1trv n LYS 82 Cb 0.56 -5.02 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 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 -0.31 0.43 2.87 0.72 0.00 -1.26 -5.05 105.19 102.59 1trv n GLY 83 Ca -0.13 -0.91 -0.22 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 -3.40 0.93 0.10 1.61 -0.21 0.24 -5.11 119.66 113.83 1trv s GLN 84 Ca 0.00 -0.09 -0.31 0.00 0.02 0.00 0.00 55.36 54.98 1trv s GLN 84 Cb 0.00 -1.02 -0.09 0.00 1.00 0.00 0.00 33.01 32.90 1trv s GLN 84 CO 0.00 -0.16 1.56 0.21 -2.12 0.00 0.00 175.29 174.78 1trv s LYS 85 N 1.29 4.23 0.00 2.91 2.20 -1.26 -1.50 119.74 127.60 1trv s LYS 85 Ca -0.05 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 1trv s LYS 85 Cb -0.14 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1trv s LYS 85 CO -0.02 -0.63 0.00 1.33 -0.36 0.00 0.00 175.35 175.67 1trv n VAL 86 N 4.34 0.00 -3.57 4.02 0.24 -0.68 -4.95 118.33 117.73 1trv n VAL 86 Ca 0.14 -0.40 -0.06 0.00 -2.04 0.00 0.00 64.34 61.98 1trv n VAL 86 Cb 0.40 0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 33.69 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 -1.00 -0.31 -0.16 7.63 0.00 -1.18 -5.01 107.32 107.29 1trv s GLY 87 Ca 0.00 1.58 -0.33 0.00 0.00 0.00 0.00 44.72 45.97 1trv s GLY 87 CO 0.00 0.57 1.15 -1.83 0.00 0.00 0.00 173.10 172.99 1trv s GLU 88 N -2.36 0.40 -0.01 2.90 -1.05 -1.26 0.07 118.70 117.38 1trv s GLU 88 Ca 0.07 -0.12 -0.30 0.00 -0.15 0.00 0.00 54.97 54.48 1trv s GLU 88 Cb -0.01 0.18 0.10 0.00 -0.44 0.00 0.00 34.13 33.97 1trv s GLU 88 CO -0.05 -0.17 1.03 -0.59 0.95 0.00 0.00 175.26 176.43 1trv s PHE 89 N -2.34 -0.20 0.02 4.83 -0.12 -0.92 -5.00 117.98 114.25 1trv s PHE 89 Ca 0.08 0.06 0.05 0.00 -0.05 0.00 0.00 56.93 57.06 1trv s PHE 89 Cb -0.01 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1trv s PHE 89 CO -0.05 -0.49 -0.14 -1.54 -0.05 0.00 0.00 175.22 172.95 1trv s SER 90 N -2.58 1.69 0.00 1.98 1.04 -1.26 -2.27 113.70 112.30 1trv s SER 90 Ca 0.09 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1trv s SER 90 Cb -0.00 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1trv s SER 90 CO -0.05 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1trv n GLY 91 N 2.30 4.25 1.51 7.32 0.00 -1.20 -4.96 105.19 114.41 1trv n GLY 91 Ca -0.16 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.29 4.05 -3.36 4.61 0.00 -1.26 -4.69 120.51 118.58 1trv n ALA 92 Ca 0.00 -0.06 -0.45 0.00 0.00 0.00 0.00 53.44 52.93 1trv n ALA 92 Cb 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 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 1.95 7.03 0.52 0.00 3.84 -1.26 -4.86 114.94 122.16 1trv s ASN 93 Ca 0.01 -3.29 0.17 0.00 0.21 0.00 0.00 52.86 49.96 1trv s ASN 93 Cb 0.01 -2.19 1.28 0.00 -0.55 0.00 0.00 41.25 39.80 1trv s ASN 93 CO -0.00 -0.38 2.14 0.07 -2.79 0.00 0.00 177.10 176.14 1trv h LYS 94 N 7.01 0.00 -0.07 0.43 -0.00 -1.98 -0.91 116.57 121.04 1trv h LYS 94 Ca 0.15 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.71 1trv h LYS 94 Cb 0.93 -0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.15 1trv h LYS 94 CO 0.91 0.00 -0.37 0.93 -0.00 0.00 0.00 179.45 180.92 1trv h GLU 95 N 0.00 0.15 -0.29 0.07 4.39 -1.99 -2.64 114.58 114.27 1trv h GLU 95 Ca 0.02 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1trv h GLU 95 Cb 0.09 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1trv h GLU 95 CO -0.00 0.51 0.04 -0.22 -1.16 0.00 0.00 179.01 178.18 1trv h LYS 96 N 0.13 0.43 -0.93 2.33 3.64 -1.57 -2.05 116.57 118.54 1trv h LYS 96 Ca 0.01 -0.07 0.21 0.00 -1.27 0.00 0.00 60.65 59.54 1trv h LYS 96 Cb 0.73 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.40 1trv h LYS 96 CO 0.05 0.42 0.61 -0.07 -2.27 0.00 0.00 179.45 178.20 1trv h LEU 97 N 0.42 0.43 0.48 5.20 3.38 -1.48 0.22 115.31 123.96 1trv h LEU 97 Ca 0.10 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1trv h LEU 97 Cb 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1trv h LEU 97 CO 0.00 0.16 -0.23 -0.08 0.09 0.00 0.00 178.44 178.38 1trv h GLU 98 N 0.42 -0.63 -0.18 1.13 4.81 -1.51 0.18 114.58 118.80 1trv h GLU 98 Ca 0.49 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.82 1trv h GLU 98 Cb 1.21 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 1trv h GLU 98 CO -0.20 -0.42 0.15 0.00 -0.73 0.00 0.00 179.01 177.82 1trv h ALA 99 N -1.65 2.00 -0.11 2.92 0.00 -1.52 -1.80 119.26 119.10 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 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1trv h ALA 99 CO 0.11 -0.25 -0.28 1.15 0.00 0.00 0.00 179.25 179.99 1trv h THR 100 N 0.00 1.39 -0.60 0.00 2.02 -0.29 -2.98 112.91 112.45 1trv h THR 100 Ca 0.09 -1.59 0.03 0.00 0.77 0.00 0.00 66.41 65.71 1trv h THR 100 Cb 0.39 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.91 1trv h THR 100 CO -0.00 0.46 0.40 0.40 0.37 0.00 0.00 175.52 177.15 1trv h ILE 101 N -0.06 1.08 0.00 3.11 2.04 0.22 0.45 117.51 124.36 1trv h ILE 101 Ca -0.00 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1trv h ILE 101 Cb 0.88 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1trv h ILE 101 CO 0.06 0.13 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 -0.98 -1.95 115.26 114.70 1trv n ASN 102 Ca 0.07 -0.69 -0.08 0.00 -0.60 0.00 0.00 54.58 53.28 1trv n ASN 102 Cb 0.13 -0.04 -0.07 0.00 -0.53 0.00 0.00 39.78 39.27 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 -0.43 1.20 4.57 0.07 -3.35 114.58 116.59 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1trv h GLU 103 Cb 0.03 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1trv h GLU 103 CO 0.00 0.45 0.00 1.28 -1.18 0.00 0.00 179.01 179.56 1trv n LEU 104 N -4.74 4.79 0.00 1.64 4.77 -1.22 -5.13 117.00 117.12 1trv n LEU 104 Ca -0.06 -2.92 0.01 0.00 -0.03 0.00 0.00 56.01 53.01 1trv n LEU 104 Cb 0.25 -0.61 0.08 0.00 -2.33 0.00 0.00 43.42 40.81 1trv n LEU 104 CO 0.19 0.66 0.32 0.55 -1.33 0.00 0.00 177.39 177.79