#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6s n GLU 2 N 0.00 0.00 0.06 1.61 4.71 -1.26 -0.34 120.64 125.42 1a6s n GLU 2 Ca 0.00 0.41 -0.22 0.00 -0.01 0.00 0.00 57.16 57.33 1a6s n GLU 2 Cb 0.00 -1.52 -0.15 0.00 -1.01 0.00 0.00 31.44 28.76 1a6s n GLU 2 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a6s h ALA 3 N 1.89 0.22 -1.61 0.62 0.00 -1.96 -2.87 119.26 115.55 1a6s h ALA 3 Ca 0.00 -1.19 0.47 0.00 0.00 0.00 0.00 54.91 54.18 1a6s h ALA 3 Cb 0.05 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1a6s h ALA 3 CO 0.00 1.09 1.17 -0.24 0.00 0.00 0.00 179.25 181.26 1a6s h VAL 4 N 0.10 0.19 0.00 0.00 3.04 -0.89 3.52 116.25 122.20 1a6s h VAL 4 Ca -0.36 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1a6s h VAL 4 Cb 2.09 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 1a6s h VAL 4 CO 0.16 0.00 -0.18 -0.38 -1.01 0.00 0.00 177.57 176.16 1a6s n ILE 5 N -4.03 0.42 0.24 3.17 -0.00 -1.25 -3.72 119.36 114.19 1a6s n ILE 5 Ca 0.36 0.41 0.14 0.00 -0.00 0.00 0.00 62.75 63.66 1a6s n ILE 5 Cb 1.67 -1.76 0.60 0.00 -0.00 0.00 0.00 39.64 40.14 1a6s n ILE 5 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1a6s h LYS 6 N -0.29 0.00 0.00 0.38 3.64 -1.13 -1.09 116.57 118.07 1a6s h LYS 6 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a6s h LYS 6 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1a6s h LYS 6 CO 0.00 0.00 0.00 1.55 -2.27 0.00 0.00 179.45 178.73 1a6s n VAL 7 N -3.00 0.00 -0.25 2.00 3.14 1.16 0.12 118.33 121.49 1a6s n VAL 7 Ca 0.03 1.08 0.04 0.00 -2.96 0.00 0.00 64.34 62.52 1a6s n VAL 7 Cb 0.66 -2.04 0.13 0.00 -1.06 0.00 0.00 33.84 31.53 1a6s n VAL 7 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 1a6s h ILE 8 N 0.00 0.31 0.82 1.55 6.09 -1.35 12.71 117.51 137.64 1a6s h ILE 8 Ca 0.00 -0.02 -0.04 0.00 -1.37 0.00 0.00 64.86 63.43 1a6s h ILE 8 Cb 0.00 0.25 0.01 0.00 0.47 0.00 0.00 36.82 37.54 1a6s h ILE 8 CO 0.00 0.01 -0.39 0.77 -3.07 0.00 0.00 178.15 175.47 1a6s h SER 9 N 0.06 -0.94 0.15 2.19 4.64 -1.31 0.56 113.55 118.90 1a6s h SER 9 Ca 0.39 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.74 1a6s h SER 9 Cb 0.66 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1a6s h SER 9 CO -0.70 -0.65 -0.07 -1.28 -0.87 0.00 0.00 176.83 173.25 1a6s h SER 10 N -1.14 -0.17 -0.07 4.97 0.87 0.20 -2.56 113.55 115.65 1a6s h SER 10 Ca -0.11 -0.31 0.02 0.00 -1.23 0.00 0.00 61.79 60.16 1a6s h SER 10 Cb 0.85 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1a6s h SER 10 CO 0.19 0.24 0.49 0.00 -0.53 0.00 0.00 176.83 177.21 1a6s h ALA 11 N 0.12 1.58 0.21 6.23 0.00 2.84 11.30 119.26 141.53 1a6s h ALA 11 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1a6s h ALA 11 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1a6s h ALA 11 CO 0.03 -0.52 -0.10 0.00 0.00 0.00 0.00 179.25 178.66 1a6s n LYS 13 N -3.91 0.67 0.22 0.00 4.81 -0.05 -3.19 118.16 116.71 1a6s n LYS 13 Ca -0.04 0.21 0.06 0.00 -0.87 0.00 0.00 58.31 57.67 1a6s n LYS 13 Cb 0.11 -1.58 0.51 0.00 0.02 0.00 0.00 35.03 34.09 1a6s n LYS 13 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1a6s h THR 14 N -0.12 1.08 0.00 3.15 2.02 2.44 4.11 112.91 125.59 1a6s h THR 14 Ca -0.54 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 65.90 1a6s h THR 14 Cb 1.88 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1a6s h THR 14 CO -0.08 0.21 0.00 0.00 0.37 0.00 0.00 175.52 176.01 1a6s n TYR 15 N -4.18 0.00 -0.12 3.16 4.19 0.24 -2.39 117.16 118.05 1a6s n TYR 15 Ca -0.02 0.00 -0.25 0.00 3.31 0.00 0.00 57.90 60.93 1a6s n TYR 15 Cb 0.28 -0.47 -0.11 0.00 0.49 0.00 0.00 39.34 39.53 1a6s n TYR 15 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1a6s h GLY 17 N -0.37 0.00 0.00 0.00 0.00 0.22 -3.45 103.07 99.48 1a6s h GLY 17 Ca -0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1a6s h GLY 17 CO -0.28 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.54 1a6s n LYS 18 N -2.38 0.00 -0.11 4.80 4.01 1.23 -0.17 118.16 125.55 1a6s n LYS 18 Ca -0.01 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.55 1a6s n LYS 18 Cb 0.08 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.49 1a6s n LYS 18 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1a6s n THR 19 N 0.00 1.56 -1.07 -0.18 -1.04 -1.26 -4.00 114.28 108.29 1a6s n THR 19 Ca 0.00 -0.41 -0.23 0.00 -2.04 0.00 0.00 64.05 61.36 1a6s n THR 19 Cb 0.00 -1.76 -0.13 0.00 -1.82 0.00 0.00 70.33 66.62 1a6s n THR 19 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1a6s n SER 20 N -3.88 -0.35 -3.76 8.00 7.64 0.77 -4.83 113.62 117.20 1a6s n SER 20 Ca -0.44 -0.10 -0.30 0.00 1.01 0.00 0.00 58.87 59.03 1a6s n SER 20 Cb 0.90 -0.53 0.23 0.00 -1.01 0.00 0.00 64.21 63.80 1a6s n SER 20 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1a6s s PRO 21 N 5.79 -0.64 0.00 1.43 0.04 -1.26 -4.83 135.00 135.52 1a6s s PRO 21 Ca 0.96 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1a6s s PRO 21 Cb -0.77 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1a6s s PRO 21 CO 0.37 -3.27 0.00 0.43 0.04 0.00 0.00 177.00 174.57 1a6s n SER 22 N -4.38 0.00 0.00 6.66 7.64 -1.26 -5.15 113.62 117.12 1a6s n SER 22 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1a6s n SER 22 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1a6s n SER 22 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1a6s n LYS 23 N 0.00 0.00 -0.88 1.43 5.02 -1.26 -4.98 118.16 117.49 1a6s n LYS 23 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1a6s n LYS 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1a6s n LYS 23 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1a6s n LYS 24 N -0.50 0.00 0.00 1.97 4.76 -1.26 -4.95 118.16 118.19 1a6s n LYS 24 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1a6s n LYS 24 Cb 0.00 -2.71 0.00 0.00 -1.84 0.00 0.00 35.03 30.48 1a6s n LYS 24 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1a6s n GLU 25 N -2.00 0.00 -0.22 1.97 0.28 -1.26 0.38 120.64 119.78 1a6s n GLU 25 Ca 0.00 0.00 0.23 0.00 -0.16 0.00 0.00 57.16 57.23 1a6s n GLU 25 Cb 0.00 -0.37 0.59 0.00 1.43 0.00 0.00 31.44 33.09 1a6s n GLU 25 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1a6s h ILE 26 N 0.00 0.62 -0.11 3.84 2.04 -1.93 -1.59 117.51 120.38 1a6s h ILE 26 Ca 0.00 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1a6s h ILE 26 Cb 0.00 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 1a6s h ILE 26 CO 0.00 0.05 -0.50 1.23 0.00 0.00 0.00 178.15 178.92 1a6s h GLY 27 N 0.25 -1.14 0.02 5.37 0.00 -1.88 -1.78 103.07 103.91 1a6s h GLY 27 Ca 0.46 0.68 0.07 0.00 0.00 0.00 0.00 47.33 48.54 1a6s h GLY 27 CO -0.12 -0.23 -0.27 0.00 0.00 0.00 0.00 176.54 175.92 1a6s h ALA 28 N -0.41 -0.13 -0.87 3.60 0.00 0.95 1.89 119.26 124.30 1a6s h ALA 28 Ca 0.03 0.09 0.30 0.00 0.00 0.00 0.00 54.91 55.33 1a6s h ALA 28 Cb 0.63 0.58 -0.16 0.00 0.00 0.00 0.00 17.79 18.84 1a6s h ALA 28 CO -0.40 -0.68 0.23 -0.12 0.00 0.00 0.00 179.25 178.28 1a6s n MET 29 N -5.40 -0.06 -0.02 0.00 0.00 -0.72 0.58 117.12 111.51 1a6s n MET 29 Ca 0.00 1.25 -0.02 0.00 0.00 0.00 0.00 57.70 58.93 1a6s n MET 29 Cb 0.31 -2.11 -0.01 0.00 0.00 0.00 0.00 33.22 31.41 1a6s n MET 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1a6s n LEU 30 N -5.12 0.54 -0.22 -0.89 7.94 0.04 -3.22 117.00 116.07 1a6s n LEU 30 Ca 0.26 0.22 0.18 0.00 -1.11 0.00 0.00 56.01 55.57 1a6s n LEU 30 Cb 0.88 -0.59 0.51 0.00 0.53 0.00 0.00 43.42 44.75 1a6s n LEU 30 CO -0.03 -0.46 1.22 0.28 -1.11 0.00 0.00 177.39 177.29 1a6s h SER 31 N -0.29 0.40 0.29 1.96 0.02 0.31 11.11 113.55 127.36 1a6s h SER 31 Ca 0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1a6s h SER 31 Cb 0.22 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1a6s h SER 31 CO 0.00 0.18 -0.14 0.25 -1.14 0.00 0.00 176.83 175.97 1a6s h LEU 32 N 0.41 -0.34 -0.13 5.07 7.12 1.60 0.79 115.31 129.83 1a6s h LEU 32 Ca 0.44 0.01 -0.10 0.00 0.13 0.00 0.00 57.88 58.36 1a6s h LEU 32 Cb 1.07 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.29 1a6s h LEU 32 CO -0.16 -0.14 -0.30 -0.07 -0.13 0.00 0.00 178.44 177.64 1a6s h LEU 33 N -0.60 0.49 0.00 2.25 -0.00 -0.86 0.14 115.31 116.73 1a6s h LEU 33 Ca -0.04 -0.57 0.00 0.00 -0.00 0.00 0.00 57.88 57.27 1a6s h LEU 33 Cb 0.30 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1a6s h LEU 33 CO 0.07 0.97 0.00 1.67 -0.00 0.00 0.00 178.44 181.15 1a6s n GLN 34 N -4.40 0.53 -1.09 1.13 7.27 3.49 0.12 117.38 124.43 1a6s n GLN 34 Ca -0.07 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.03 1a6s n GLN 34 Cb 0.48 -1.46 0.02 0.00 2.41 0.00 0.00 30.24 31.69 1a6s n GLN 34 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1a6s n LYS 35 N -0.96 0.04 0.00 3.69 4.81 0.27 -4.76 118.16 121.26 1a6s n LYS 35 Ca 0.12 -1.66 0.00 0.00 -0.87 0.00 0.00 58.31 55.90 1a6s n LYS 35 Cb 0.05 -0.23 0.00 0.00 0.02 0.00 0.00 35.03 34.87 1a6s n LYS 35 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1a6s n GLU 36 N 0.26 0.00 -0.38 1.64 -0.58 0.45 -4.15 120.64 117.88 1a6s n GLU 36 Ca 0.04 -0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 1a6s n GLU 36 Cb 0.97 -0.50 0.00 0.00 -0.57 0.00 0.00 31.44 31.34 1a6s n GLU 36 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a6s n GLY 37 N 0.00 1.44 2.50 0.62 0.00 -1.09 -4.38 105.19 104.28 1a6s n GLY 37 Ca 0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 1a6s n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a6s n LEU 38 N 0.00 4.19 -1.69 0.99 7.99 0.33 -4.78 117.00 124.03 1a6s n LEU 38 Ca 0.00 -4.97 -0.05 0.00 -0.01 0.00 0.00 56.01 50.97 1a6s n LEU 38 Cb 0.08 -0.32 0.22 0.00 -0.11 0.00 0.00 43.42 43.29 1a6s n LEU 38 CO 0.00 2.13 0.87 -0.11 -1.51 0.00 0.00 177.39 178.77 1a6s n LEU 39 N -0.42 5.04 -0.57 2.23 0.00 -1.25 -3.84 117.00 118.20 1a6s n LEU 39 Ca 0.34 -2.62 0.11 0.00 0.00 0.00 0.00 56.01 53.84 1a6s n LEU 39 Cb 0.69 -0.69 0.37 0.00 0.00 0.00 0.00 43.42 43.79 1a6s n LEU 39 CO 0.32 0.70 0.77 0.23 0.00 0.00 0.00 177.39 179.41 1a6s n MET 40 N -0.08 1.76 0.00 1.96 2.81 -1.26 -5.04 117.12 117.27 1a6s n MET 40 Ca 0.31 -1.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.07 1a6s n MET 40 Cb 1.13 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 32.24 1a6s n MET 40 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1a6s n SER 41 N 0.36 0.00 -0.37 7.83 3.41 -1.26 -4.49 113.62 119.10 1a6s n SER 41 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1a6s n SER 41 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1a6s n SER 41 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1a6s n PRO 42 N 1.03 0.75 0.23 4.33 -0.04 -1.26 -3.47 135.00 136.56 1a6s n PRO 42 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1a6s n PRO 42 Cb 0.00 -1.28 0.56 0.00 -0.04 0.00 0.00 33.50 32.74 1a6s n PRO 42 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1a6s h SER 43 N 0.19 0.00 -0.94 3.54 0.87 -1.79 -3.08 113.55 112.34 1a6s h SER 43 Ca 0.00 0.00 0.33 0.00 -1.23 0.00 0.00 61.79 60.89 1a6s h SER 43 Cb 0.28 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.14 1a6s h SER 43 CO 0.00 0.21 0.61 -0.67 -0.53 0.00 0.00 176.83 176.44 1a6s n ASP 44 N -3.61 0.14 0.02 6.23 2.03 -1.23 0.70 116.55 120.83 1a6s n ASP 44 Ca -0.01 0.95 -0.09 0.00 0.52 0.00 0.00 54.79 56.15 1a6s n ASP 44 Cb 0.34 -0.47 0.05 0.00 -0.72 0.00 0.00 41.12 40.33 1a6s n ASP 44 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1a6s h LEU 45 N 0.00 0.58 -0.02 -2.67 6.46 -1.75 -2.71 115.31 115.20 1a6s h LEU 45 Ca 0.60 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1a6s h LEU 45 Cb 1.94 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.70 1a6s h LEU 45 CO -0.32 1.03 0.13 -1.22 -0.62 0.00 0.00 178.44 177.45 1a6s n TYR 46 N -3.94 0.01 -3.90 1.25 4.01 3.32 -4.25 117.16 113.66 1a6s n TYR 46 Ca -0.03 0.01 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 1a6s n TYR 46 Cb 0.62 -0.38 -0.16 0.00 -0.31 0.00 0.00 39.34 39.11 1a6s n TYR 46 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a6s s SER 47 N -2.76 0.36 0.14 7.72 0.15 -1.02 -5.13 113.70 113.17 1a6s s SER 47 Ca -0.00 -0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.33 1a6s s SER 47 Cb 0.00 -0.20 -0.07 0.00 -1.71 0.00 0.00 66.02 64.05 1a6s s SER 47 CO 0.00 -0.10 1.13 -2.16 1.20 0.00 0.00 173.24 173.31 1a6s s PRO 48 N 1.03 4.54 -0.25 5.44 0.04 -1.26 -3.87 135.00 140.66 1a6s s PRO 48 Ca -0.10 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 1a6s s PRO 48 Cb -0.13 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 1a6s s PRO 48 CO -0.02 -0.03 0.22 0.41 0.04 0.00 0.00 177.00 177.62 1a6s n GLY 49 N 2.37 0.38 0.03 0.56 0.00 -1.26 -4.98 105.19 102.28 1a6s n GLY 49 Ca 0.04 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.91 1a6s n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a6s n SER 50 N -1.76 1.73 -0.58 1.61 7.64 -1.25 -4.54 113.62 116.47 1a6s n SER 50 Ca -0.03 -2.05 0.12 0.00 1.01 0.00 0.00 58.87 57.93 1a6s n SER 50 Cb 0.53 -0.08 0.24 0.00 -1.01 0.00 0.00 64.21 63.90 1a6s n SER 50 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1a6s n TRP 51 N -0.57 0.00 0.24 1.43 7.02 -1.26 -3.79 117.44 120.51 1a6s n TRP 51 Ca 0.03 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.64 1a6s n TRP 51 Cb 0.36 -0.02 0.45 0.00 -2.42 0.00 0.00 31.31 29.67 1a6s n TRP 51 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 1a6s h ASP 52 N 2.86 0.00 0.31 -0.99 -0.00 -2.00 -2.68 116.42 113.92 1a6s h ASP 52 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.03 56.82 1a6s h ASP 52 Cb 0.71 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.04 1a6s h ASP 52 CO 0.00 0.07 -0.86 1.55 -0.00 0.00 0.00 179.24 180.00 1a6s h PRO 53 N 0.00 0.41 0.00 0.28 0.13 -1.91 -2.76 132.00 128.15 1a6s h PRO 53 Ca -0.00 -0.39 -0.11 0.00 -0.87 0.00 0.00 66.00 64.63 1a6s h PRO 53 Cb 0.76 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 1a6s h PRO 53 CO 0.01 1.05 -0.51 0.97 -0.23 0.00 0.00 178.00 179.30 1a6s h ILE 54 N 0.25 1.01 0.17 -3.56 2.10 -1.75 -1.81 117.51 113.91 1a6s h ILE 54 Ca -0.06 -2.02 -0.01 0.00 1.08 0.00 0.00 64.86 63.85 1a6s h ILE 54 Cb 1.47 2.22 0.00 0.00 -1.09 0.00 0.00 36.82 39.42 1a6s h ILE 54 CO 0.15 0.50 -0.08 0.74 -1.08 0.00 0.00 178.15 178.37 1a6s h THR 55 N 0.00 0.95 0.00 2.19 2.02 -1.39 -2.71 112.91 113.96 1a6s h THR 55 Ca -0.01 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1a6s h THR 55 Cb 1.18 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1a6s h THR 55 CO 0.07 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.12 1a6s n ALA 56 N -2.39 1.86 -0.57 6.16 0.00 -1.05 -2.59 120.51 121.93 1a6s n ALA 56 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1a6s n ALA 56 Cb 0.23 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1a6s n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6s n ALA 57 N -1.73 -0.16 -0.27 0.00 0.00 -0.68 0.07 120.51 117.74 1a6s n ALA 57 Ca 0.03 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.66 1a6s n ALA 57 Cb 0.28 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.22 1a6s n ALA 57 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1a6s h LEU 58 N 0.00 0.46 -1.01 0.00 -0.00 -1.60 0.60 115.31 113.75 1a6s h LEU 58 Ca 0.00 0.05 -0.04 0.00 -0.00 0.00 0.00 57.88 57.89 1a6s h LEU 58 Cb 0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 40.60 1a6s h LEU 58 CO 0.00 0.17 0.25 -1.28 -0.00 0.00 0.00 178.44 177.58 1a6s h SER 59 N 0.45 0.88 0.59 0.17 0.87 -1.50 6.66 113.55 121.68 1a6s h SER 59 Ca 0.50 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.90 1a6s h SER 59 Cb 1.19 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1a6s h SER 59 CO -0.22 0.79 -0.19 -0.61 -0.53 0.00 0.00 176.83 176.07 1a6s h GLN 60 N 0.94 0.00 -0.08 2.24 5.75 0.42 -3.35 115.11 121.03 1a6s h GLN 60 Ca 0.22 0.00 -0.25 0.00 -0.15 0.00 0.00 58.65 58.47 1a6s h GLN 60 Cb 0.20 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 28.59 1a6s h GLN 60 CO -0.02 0.19 -0.48 2.89 -2.65 0.00 0.00 178.83 178.76 1a6s n ARG 61 N -3.57 0.97 0.01 1.69 1.85 -0.47 -4.95 116.66 112.20 1a6s n ARG 61 Ca -0.01 -1.95 0.07 0.00 -1.00 0.00 0.00 57.85 54.96 1a6s n ARG 61 Cb 0.34 -1.14 0.31 0.00 -1.05 0.00 0.00 32.46 30.92 1a6s n ARG 61 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1a6s n ALA 62 N 0.62 1.63 0.10 2.89 0.00 2.14 -1.75 120.51 126.14 1a6s n ALA 62 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 1a6s n ALA 62 Cb 0.68 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 1a6s n ALA 62 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1a6s h MET 63 N 0.00 0.00 -1.59 0.00 2.86 -1.90 -3.39 114.93 110.91 1a6s h MET 63 Ca 0.00 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.17 1a6s h MET 63 Cb 0.25 0.00 -0.34 0.00 0.06 0.00 0.00 31.60 31.56 1a6s h MET 63 CO 0.00 0.71 -1.01 -0.89 1.06 0.00 0.00 176.91 176.78 1a6s n ILE 64 N -3.26 -0.40 -1.19 -1.22 -0.00 -0.71 -4.23 119.36 108.34 1a6s n ILE 64 Ca 0.00 -3.67 0.00 0.00 -0.00 0.00 0.00 62.75 59.08 1a6s n ILE 64 Cb 0.84 -0.75 0.00 0.00 -0.00 0.00 0.00 39.64 39.73 1a6s n ILE 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1a6s n LEU 65 N 1.02 0.00 -0.62 1.39 -0.00 -0.94 -4.89 117.00 112.97 1a6s n LEU 65 Ca 0.20 0.00 0.48 0.00 -0.00 0.00 0.00 56.01 56.69 1a6s n LEU 65 Cb 0.59 0.00 0.77 0.00 -0.00 0.00 0.00 43.42 44.79 1a6s n LEU 65 CO 0.16 0.00 1.40 1.23 -0.00 0.00 0.00 177.39 180.18 1a6s h GLY 66 N 0.00 0.49 -3.98 1.47 0.00 -1.77 -3.37 103.07 95.90 1a6s h GLY 66 Ca 0.00 -0.03 -0.52 0.00 0.00 0.00 0.00 47.33 46.77 1a6s h GLY 66 CO 0.00 -0.17 -0.81 1.25 0.00 0.00 0.00 176.54 176.82 1a6s s LYS 67 N -5.01 1.11 0.66 4.80 2.20 -1.26 -4.92 119.74 117.33 1a6s s LYS 67 Ca -0.06 -1.20 0.21 0.00 -0.36 0.00 0.00 55.97 54.57 1a6s s LYS 67 Cb 0.28 -1.27 1.17 0.00 -1.51 0.00 0.00 37.83 36.50 1a6s s LYS 67 CO 0.87 0.28 1.66 1.03 -0.36 0.00 0.00 175.35 178.83 1a6s h SER 68 N 3.88 0.00 0.00 1.43 0.87 -1.87 -3.37 113.55 114.49 1a6s h SER 68 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1a6s h SER 68 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1a6s h SER 68 CO 0.43 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.34 1a6s n GLY 69 N -1.30 -1.54 2.69 5.77 0.00 -1.26 -4.42 105.19 105.13 1a6s n GLY 69 Ca -0.01 0.81 -0.05 0.00 0.00 0.00 0.00 46.02 46.76 1a6s n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1a6s n GLU 70 N 0.00 0.32 0.22 1.61 2.13 -1.26 -4.98 120.64 118.69 1a6s n GLU 70 Ca 0.00 -1.00 0.11 0.00 0.66 0.00 0.00 57.16 56.93 1a6s n GLU 70 Cb 0.00 -0.55 0.59 0.00 0.27 0.00 0.00 31.44 31.75 1a6s n GLU 70 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1a6s h LEU 71 N 3.22 0.00 -1.00 4.31 4.07 -1.91 -1.98 115.31 122.02 1a6s h LEU 71 Ca -0.22 0.00 0.38 0.00 0.08 0.00 0.00 57.88 58.12 1a6s h LEU 71 Cb 1.16 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 42.72 1a6s h LEU 71 CO -0.03 0.00 0.44 0.50 -1.08 0.00 0.00 178.44 178.27 1a6s h LYS 72 N 0.00 0.03 -0.10 1.13 1.63 -1.98 1.50 116.57 118.77 1a6s h LYS 72 Ca 0.00 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1a6s h LYS 72 Cb 0.46 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1a6s h LYS 72 CO 0.00 0.02 0.02 1.15 -3.45 0.00 0.00 179.45 177.19 1a6s h THR 73 N 0.03 1.20 -0.28 1.00 2.02 -1.77 -2.46 112.91 112.65 1a6s h THR 73 Ca 0.79 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 67.32 1a6s h THR 73 Cb 2.00 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 69.82 1a6s h THR 73 CO -0.79 0.18 0.03 -0.25 0.37 0.00 0.00 175.52 175.05 1a6s h TRP 74 N -0.05 0.41 -0.35 3.16 7.01 0.14 -2.14 115.95 124.13 1a6s h TRP 74 Ca 0.03 -0.03 0.08 0.00 2.11 0.00 0.00 58.89 61.08 1a6s h TRP 74 Cb 0.26 -0.12 -0.08 0.00 -2.10 0.00 0.00 29.16 27.11 1a6s h TRP 74 CO 0.01 0.40 -0.24 0.78 -2.79 0.00 0.00 178.44 176.60 1a6s h GLY 75 N 0.68 -0.06 1.05 2.65 0.00 0.15 4.29 103.07 111.83 1a6s h GLY 75 Ca 0.09 0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.63 1a6s h GLY 75 CO 0.00 -0.20 -0.04 1.41 0.00 0.00 0.00 176.54 177.71 1a6s h LEU 76 N -0.19 0.95 0.54 3.11 4.07 -1.28 3.67 115.31 126.18 1a6s h LEU 76 Ca 0.17 -0.33 -0.03 0.00 0.08 0.00 0.00 57.88 57.78 1a6s h LEU 76 Cb 0.46 -0.26 0.01 0.00 1.08 0.00 0.00 40.66 41.95 1a6s h LEU 76 CO -0.46 1.05 -0.26 1.62 -1.08 0.00 0.00 178.44 179.31 1a6s h VAL 77 N 0.83 0.33 0.38 1.22 3.04 -0.51 -2.47 116.25 119.07 1a6s h VAL 77 Ca 0.14 -0.38 -0.02 0.00 -1.01 0.00 0.00 66.70 65.44 1a6s h VAL 77 Cb 0.59 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 1a6s h VAL 77 CO 0.04 0.05 -0.18 0.25 -1.01 0.00 0.00 177.57 176.71 1a6s h LEU 78 N -1.00 -0.44 -1.77 3.16 7.12 0.83 -3.08 115.31 120.14 1a6s h LEU 78 Ca -0.07 -0.09 0.51 0.00 0.13 0.00 0.00 57.88 58.36 1a6s h LEU 78 Cb 0.63 0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 40.80 1a6s h LEU 78 CO 0.12 0.01 1.27 0.61 -0.13 0.00 0.00 178.44 180.32 1a6s n GLY 79 N 0.21 -0.89 0.10 3.75 0.00 1.22 0.29 105.19 109.87 1a6s n GLY 79 Ca -0.08 0.63 -0.13 0.00 0.00 0.00 0.00 46.02 46.44 1a6s n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6s h ALA 80 N 0.91 0.12 -0.71 4.61 0.00 -1.35 -1.12 119.26 121.72 1a6s h ALA 80 Ca 0.84 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 55.59 1a6s h ALA 80 Cb 3.38 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 21.06 1a6s h ALA 80 CO -0.02 -0.07 0.28 1.25 0.00 0.00 0.00 179.25 180.70 1a6s h LEU 81 N -0.22 0.28 -1.41 0.00 7.12 0.43 0.77 115.31 122.29 1a6s h LEU 81 Ca 0.01 0.09 -0.03 0.00 0.13 0.00 0.00 57.88 58.09 1a6s h LEU 81 Cb 0.58 0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.77 1a6s h LEU 81 CO 0.02 0.13 -0.16 0.11 -0.13 0.00 0.00 178.44 178.41 1a6s h LYS 82 N 0.45 0.00 -0.22 1.25 6.56 -1.33 -2.28 116.57 121.01 1a6s h LYS 82 Ca 0.37 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.82 1a6s h LYS 82 Cb 0.52 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.17 1a6s h LYS 82 CO -0.36 0.16 -0.45 0.00 -2.06 0.00 0.00 179.45 176.74 1a6s h ALA 83 N 1.84 0.81 -0.05 3.86 0.00 0.18 -0.70 119.26 125.21 1a6s h ALA 83 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1a6s h ALA 83 Cb 0.59 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a6s h ALA 83 CO 0.02 0.66 0.01 0.00 0.00 0.00 0.00 179.25 179.94 1a6s h ALA 84 N 1.07 0.07 0.00 0.00 0.00 -0.50 -1.97 119.26 117.93 1a6s h ALA 84 Ca 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1a6s h ALA 84 Cb 0.96 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1a6s h ALA 84 CO 0.09 -0.31 -0.01 -0.09 0.00 0.00 0.00 179.25 178.93 1a6s h ARG 85 N -0.12 0.00 0.00 0.00 2.43 -1.44 -0.91 114.38 114.34 1a6s h ARG 85 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1a6s h ARG 85 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1a6s h ARG 85 CO 0.00 0.01 -0.06 0.39 -1.51 0.00 0.00 179.97 178.79 1a6s n GLU 86 N -3.10 0.20 0.00 0.20 1.02 -0.28 -5.11 120.64 113.57 1a6s n GLU 86 Ca -0.00 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1a6s n GLU 86 Cb 0.24 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 1a6s n GLU 86 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40