#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 0.10 0.06 1.61 2.13 -1.26 -0.74 120.64 122.54 1a6s n GLU 2 Ca 0.00 0.57 -0.19 0.00 0.66 0.00 0.00 57.16 58.19 1a6s n GLU 2 Cb 0.00 -1.80 -0.14 0.00 0.27 0.00 0.00 31.44 29.76 1a6s n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a6s h ALA 3 N 2.04 0.25 -1.09 4.31 0.00 -1.96 -3.03 119.26 119.78 1a6s h ALA 3 Ca 0.00 -1.16 0.31 0.00 0.00 0.00 0.00 54.91 54.07 1a6s h ALA 3 Cb 0.04 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1a6s h ALA 3 CO 0.00 1.12 0.98 -0.24 0.00 0.00 0.00 179.25 181.11 1a6s h VAL 4 N 0.08 0.19 0.00 0.00 3.04 -1.12 3.05 116.25 121.49 1a6s h VAL 4 Ca -0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1a6s h VAL 4 Cb 2.06 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 1a6s h VAL 4 CO 0.16 0.00 -0.19 -0.38 -1.01 0.00 0.00 177.57 176.15 1a6s n ILE 5 N -3.70 0.44 0.30 3.17 -0.00 -1.24 -3.81 119.36 114.51 1a6s n ILE 5 Ca 0.24 0.41 0.13 0.00 -0.00 0.00 0.00 62.75 63.53 1a6s n ILE 5 Cb 1.33 -1.77 0.66 0.00 -0.00 0.00 0.00 39.64 39.85 1a6s n ILE 5 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.55 176.62 1a6s h LYS 6 N -0.31 0.00 0.00 0.38 5.09 -1.23 -1.61 116.57 118.89 1a6s h LYS 6 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1a6s h LYS 6 Cb 0.19 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.52 1a6s h LYS 6 CO 0.00 0.00 0.00 1.55 -2.09 0.00 0.00 179.45 178.91 1a6s n VAL 7 N -2.91 0.00 -0.32 0.07 3.14 1.01 0.15 118.33 119.47 1a6s n VAL 7 Ca -0.00 1.16 0.15 0.00 -2.96 0.00 0.00 64.34 62.69 1a6s n VAL 7 Cb 0.54 -2.13 0.31 0.00 -1.06 0.00 0.00 33.84 31.51 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 0.14 0.38 1.55 6.09 -1.41 11.38 117.51 135.63 1a6s h ILE 8 Ca 0.00 -0.03 -0.02 0.00 -1.37 0.00 0.00 64.86 63.44 1a6s h ILE 8 Cb 0.00 0.05 0.00 0.00 0.47 0.00 0.00 36.82 37.34 1a6s h ILE 8 CO 0.00 0.01 -0.18 0.77 -3.07 0.00 0.00 178.15 175.68 1a6s h SER 9 N 0.08 -0.43 -0.04 2.19 4.64 -1.43 -1.86 113.55 116.70 1a6s h SER 9 Ca 0.60 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.93 1a6s h SER 9 Cb 1.26 0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1a6s h SER 9 CO -0.80 -0.24 0.01 -1.28 -0.87 0.00 0.00 176.83 173.65 1a6s h SER 10 N -0.64 0.06 -0.06 4.97 0.87 0.29 -1.91 113.55 117.13 1a6s h SER 10 Ca -0.05 -0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1a6s h SER 10 Cb 0.39 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1a6s h SER 10 CO 0.09 0.30 0.49 0.00 -0.53 0.00 0.00 176.83 177.18 1a6s h ALA 11 N 0.76 1.56 0.29 6.23 0.00 2.51 7.21 119.26 137.82 1a6s h ALA 11 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a6s h ALA 11 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1a6s h ALA 11 CO 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 179.25 178.59 1a6s n LYS 13 N -4.88 0.57 0.06 0.00 3.00 0.32 -3.23 118.16 114.00 1a6s n LYS 13 Ca -0.05 0.50 0.16 0.00 -0.00 0.00 0.00 58.31 58.92 1a6s n LYS 13 Cb 0.15 -1.68 0.66 0.00 0.00 0.00 0.00 35.03 34.16 1a6s n LYS 13 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1a6s h THR 14 N -1.00 0.83 0.00 3.15 2.02 1.48 2.48 112.91 121.87 1a6s h THR 14 Ca -0.43 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1a6s h THR 14 Cb 1.37 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1a6s h THR 14 CO -0.26 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.64 1a6s n TYR 15 N -4.43 0.00 -1.88 3.16 4.19 -0.04 -1.37 117.16 116.79 1a6s n TYR 15 Ca 0.06 0.00 -0.35 0.00 3.31 0.00 0.00 57.90 60.92 1a6s n TYR 15 Cb 0.44 -0.46 0.04 0.00 0.49 0.00 0.00 39.34 39.85 1a6s n TYR 15 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1a6s n GLY 17 N -0.64 0.00 5.33 0.00 0.00 0.77 -4.73 105.19 105.93 1a6s n GLY 17 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1a6s n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a6s n LYS 18 N -0.27 0.00 -0.65 1.61 4.01 0.25 0.18 118.16 123.29 1a6s n LYS 18 Ca 0.00 0.00 0.50 0.00 -0.51 0.00 0.00 58.31 58.30 1a6s n LYS 18 Cb 0.00 0.00 0.77 0.00 -0.51 0.00 0.00 35.03 35.29 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 0.00 -1.12 -0.18 -1.04 -1.26 -4.40 114.28 106.27 1a6s n THR 19 Ca 0.00 1.43 -0.44 0.00 -2.04 0.00 0.00 64.05 63.01 1a6s n THR 19 Cb 0.00 -2.40 -0.06 0.00 -1.82 0.00 0.00 70.33 66.05 1a6s n THR 19 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1a6s n SER 20 N -3.81 -0.13 0.04 8.00 3.41 0.49 -4.87 113.62 116.75 1a6s n SER 20 Ca 0.42 0.87 -0.09 0.00 -0.26 0.00 0.00 58.87 59.82 1a6s n SER 20 Cb 1.93 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 65.12 1a6s n SER 20 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1a6s h PRO 21 N 2.07 -0.20 0.00 4.33 0.13 -1.89 -3.45 132.00 132.99 1a6s h PRO 21 Ca -0.36 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1a6s h PRO 21 Cb 1.08 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1a6s h PRO 21 CO 0.48 0.16 0.00 -1.13 -0.23 0.00 0.00 178.00 177.29 1a6s n SER 22 N -4.90 0.00 -4.58 1.44 3.41 -1.26 -4.98 113.62 102.75 1a6s n SER 22 Ca -0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.23 1a6s n SER 22 Cb 0.23 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 1a6s n SER 22 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1a6s s LYS 23 N 0.00 2.82 -0.05 4.33 1.02 -1.26 -3.06 119.74 123.54 1a6s s LYS 23 Ca 0.00 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 54.67 1a6s s LYS 23 Cb 0.00 -5.30 0.00 0.00 -0.52 0.00 0.00 37.83 32.01 1a6s s LYS 23 CO 0.00 -3.59 0.00 1.63 -0.92 0.00 0.00 175.35 172.47 1a6s n LYS 24 N 8.33 -0.32 0.00 1.68 5.02 -1.26 -4.96 118.16 126.65 1a6s n LYS 24 Ca 0.45 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1a6s n LYS 24 Cb 0.46 -3.47 0.00 0.00 -0.02 0.00 0.00 35.03 32.00 1a6s n LYS 24 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1a6s n GLU 25 N -2.41 0.00 -0.14 1.97 2.13 -1.17 0.12 120.64 121.14 1a6s n GLU 25 Ca -0.01 0.00 0.21 0.00 0.66 0.00 0.00 57.16 58.02 1a6s n GLU 25 Cb 0.09 -0.25 0.61 0.00 0.27 0.00 0.00 31.44 32.16 1a6s n GLU 25 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1a6s h ILE 26 N 0.00 0.70 0.06 6.31 5.03 -1.86 -2.37 117.51 125.37 1a6s h ILE 26 Ca 0.00 -0.07 0.00 0.00 -0.12 0.00 0.00 64.86 64.67 1a6s h ILE 26 Cb 0.00 0.48 -0.01 0.00 -3.03 0.00 0.00 36.82 34.26 1a6s h ILE 26 CO 0.00 0.04 -0.13 1.23 -0.68 0.00 0.00 178.15 178.60 1a6s h GLY 27 N 0.20 -1.11 -0.20 5.37 0.00 -1.86 -1.90 103.07 103.57 1a6s h GLY 27 Ca 0.37 0.51 0.16 0.00 0.00 0.00 0.00 47.33 48.37 1a6s h GLY 27 CO -0.07 -0.38 0.04 0.00 0.00 0.00 0.00 176.54 176.12 1a6s h ALA 28 N -1.36 0.76 -0.89 3.60 0.00 0.14 2.51 119.26 124.03 1a6s h ALA 28 Ca -0.01 0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.26 1a6s h ALA 28 Cb 0.20 0.35 -0.15 0.00 0.00 0.00 0.00 17.79 18.19 1a6s h ALA 28 CO -0.06 -0.40 -0.34 1.98 0.00 0.00 0.00 179.25 180.43 1a6s h MET 29 N 0.14 -0.04 0.00 0.00 -1.53 -1.05 8.50 114.93 120.95 1a6s h MET 29 Ca 0.38 0.00 -0.10 0.00 -3.44 0.00 0.00 59.70 56.55 1a6s h MET 29 Cb 0.66 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.70 1a6s h MET 29 CO -0.59 -0.02 -0.64 1.25 0.14 0.00 0.00 176.91 177.05 1a6s h LEU 30 N -0.04 0.00 0.34 3.39 5.85 -0.22 -3.13 115.31 121.51 1a6s h LEU 30 Ca 0.34 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1a6s h LEU 30 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1a6s h LEU 30 CO -0.91 1.07 -0.17 -1.28 -0.34 0.00 0.00 178.44 176.82 1a6s h SER 31 N -1.00 -0.39 -0.34 1.25 0.87 0.45 6.62 113.55 121.02 1a6s h SER 31 Ca -0.14 -0.09 0.06 0.00 -1.23 0.00 0.00 61.79 60.39 1a6s h SER 31 Cb 0.87 0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 62.85 1a6s h SER 31 CO -0.09 -0.13 -0.43 0.25 -0.53 0.00 0.00 176.83 175.90 1a6s h LEU 32 N -0.65 -1.41 0.16 2.23 7.12 1.82 7.69 115.31 132.28 1a6s h LEU 32 Ca -0.05 0.21 -0.01 0.00 0.13 0.00 0.00 57.88 58.16 1a6s h LEU 32 Cb 0.46 0.60 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 1a6s h LEU 32 CO 0.08 -0.38 -0.08 -0.07 -0.13 0.00 0.00 178.44 177.86 1a6s h LEU 33 N -0.37 -0.19 -0.19 2.25 -0.00 -1.18 -1.69 115.31 113.95 1a6s h LEU 33 Ca 0.12 -0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1a6s h LEU 33 Cb 0.59 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1a6s h LEU 33 CO -0.53 0.35 0.00 1.67 -0.00 0.00 0.00 178.44 179.92 1a6s n GLN 34 N -4.91 0.58 -0.52 1.13 0.00 2.14 -1.40 117.38 114.41 1a6s n GLN 34 Ca -0.05 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 56.96 1a6s n GLN 34 Cb 0.17 -1.06 0.01 0.00 0.00 0.00 0.00 30.24 29.36 1a6s n GLN 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1a6s n LYS 35 N -0.36 0.09 0.00 3.69 0.00 2.46 -4.75 118.16 119.29 1a6s n LYS 35 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 58.31 57.14 1a6s n LYS 35 Cb 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 35.03 34.51 1a6s n LYS 35 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1a6s n GLU 36 N -0.08 0.24 -2.02 1.64 1.02 -0.49 -1.90 120.64 119.05 1a6s n GLU 36 Ca 0.01 -0.44 -0.13 0.00 -0.02 0.00 0.00 57.16 56.59 1a6s n GLU 36 Cb 0.72 -0.59 -0.02 0.00 -0.02 0.00 0.00 31.44 31.53 1a6s n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a6s n GLY 37 N -0.05 0.23 2.71 0.62 0.00 -1.17 -4.44 105.19 103.09 1a6s n GLY 37 Ca 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 1a6s n GLY 37 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a6s n LEU 38 N -1.77 1.89 -4.44 0.99 -0.00 -1.09 -5.03 117.00 107.55 1a6s n LEU 38 Ca -0.15 -3.47 -0.33 0.00 -0.00 0.00 0.00 56.01 52.06 1a6s n LEU 38 Cb 0.57 0.37 -0.13 0.00 -0.00 0.00 0.00 43.42 44.22 1a6s n LEU 38 CO 0.18 1.34 -0.42 -0.22 -0.00 0.00 0.00 177.39 178.27 1a6s s LEU 39 N -3.54 2.86 0.00 -1.96 1.98 -1.17 -4.74 118.68 112.11 1a6s s LEU 39 Ca 0.30 -0.23 0.00 0.00 -2.89 0.00 0.00 54.13 51.31 1a6s s LEU 39 Cb 0.38 -1.64 0.00 0.00 0.66 0.00 0.00 46.19 45.59 1a6s s LEU 39 CO -0.01 0.23 0.00 0.80 -1.89 0.00 0.00 176.35 175.48 1a6s n MET 40 N 3.09 1.83 0.00 1.98 1.56 -1.26 -4.96 117.12 119.36 1a6s n MET 40 Ca -0.18 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.25 1a6s n MET 40 Cb 0.53 -0.39 0.00 0.00 2.15 0.00 0.00 33.22 35.51 1a6s n MET 40 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1a6s n SER 41 N -0.30 0.00 -0.48 6.12 2.88 -1.26 -4.94 113.62 115.64 1a6s n SER 41 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1a6s n SER 41 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1a6s n SER 41 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a6s n PRO 42 N -1.10 0.75 0.22 -1.46 -0.04 -1.26 -3.39 135.00 128.72 1a6s n PRO 42 Ca 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 1a6s n PRO 42 Cb 0.00 -1.36 0.50 0.00 -0.04 0.00 0.00 33.50 32.59 1a6s n PRO 42 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1a6s h SER 43 N 0.24 0.00 -1.61 3.54 0.02 -1.92 -3.17 113.55 110.65 1a6s h SER 43 Ca 0.00 0.00 0.47 0.00 -0.84 0.00 0.00 61.79 61.42 1a6s h SER 43 Cb 0.36 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 1a6s h SER 43 CO 0.00 0.00 1.31 -0.78 -1.14 0.00 0.00 176.83 176.22 1a6s h ASP 44 N 0.00 0.00 0.68 3.07 3.58 -1.82 5.76 116.42 127.69 1a6s h ASP 44 Ca 0.00 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 1a6s h ASP 44 Cb 0.62 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 1a6s h ASP 44 CO 0.00 0.00 -1.12 0.25 -2.88 0.00 0.00 179.24 175.49 1a6s h LEU 45 N 0.00 0.32 -0.74 2.28 6.46 -1.75 -3.13 115.31 118.75 1a6s h LEU 45 Ca 0.76 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 58.20 1a6s h LEU 45 Cb 3.37 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 43.20 1a6s h LEU 45 CO -0.01 1.22 0.10 -1.22 -0.62 0.00 0.00 178.44 177.91 1a6s n TYR 46 N -3.53 0.38 -3.70 1.25 4.01 1.87 -4.29 117.16 113.14 1a6s n TYR 46 Ca -0.06 0.20 -0.13 0.00 -0.16 0.00 0.00 57.90 57.75 1a6s n TYR 46 Cb 0.96 -0.74 -0.13 0.00 -0.31 0.00 0.00 39.34 39.12 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 -3.42 0.02 0.15 7.72 0.15 -1.12 -5.14 113.70 112.06 1a6s s SER 47 Ca -0.01 0.54 -0.30 0.00 0.70 0.00 0.00 55.95 56.88 1a6s s SER 47 Cb 0.03 0.51 -0.07 0.00 -1.71 0.00 0.00 66.02 64.79 1a6s s SER 47 CO 0.10 -0.20 1.13 -2.16 1.20 0.00 0.00 173.24 173.31 1a6s s PRO 48 N 1.75 4.54 0.00 5.44 0.04 -1.26 -3.96 135.00 141.55 1a6s s PRO 48 Ca -0.05 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1a6s s PRO 48 Cb -0.11 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1a6s s PRO 48 CO -0.08 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1a6s n GLY 49 N 2.36 0.54 0.10 0.56 0.00 -1.26 -5.01 105.19 102.48 1a6s n GLY 49 Ca 0.04 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.66 1.67 -0.71 1.61 7.64 -1.25 -4.57 113.62 117.34 1a6s n SER 50 Ca 0.00 -2.37 0.12 0.00 1.01 0.00 0.00 58.87 57.63 1a6s n SER 50 Cb 0.31 -0.21 0.21 0.00 -1.01 0.00 0.00 64.21 63.50 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 -0.79 0.00 0.25 1.43 7.02 -1.26 -3.82 117.44 120.27 1a6s n TRP 51 Ca 0.07 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.68 1a6s n TRP 51 Cb 0.51 -0.01 0.30 0.00 -2.42 0.00 0.00 31.31 29.69 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 3.49 0.00 -0.04 -0.99 -0.00 -2.00 -2.78 116.42 114.09 1a6s h ASP 52 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.03 56.84 1a6s h ASP 52 Cb 0.80 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 40.14 1a6s h ASP 52 CO 0.00 0.00 -0.71 1.55 -0.00 0.00 0.00 179.24 180.08 1a6s h PRO 53 N 0.00 0.56 0.00 0.28 0.13 -1.92 -3.05 132.00 128.01 1a6s h PRO 53 Ca 0.00 -0.55 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 1a6s h PRO 53 Cb 0.87 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1a6s h PRO 53 CO 0.00 1.17 -0.05 0.97 -0.23 0.00 0.00 178.00 179.86 1a6s h ILE 54 N 0.16 0.11 -0.02 -3.56 2.10 -1.77 -2.58 117.51 111.94 1a6s h ILE 54 Ca -0.08 -0.79 -0.00 0.00 1.08 0.00 0.00 64.86 65.07 1a6s h ILE 54 Cb 1.38 1.71 -0.00 0.00 -1.09 0.00 0.00 36.82 38.82 1a6s h ILE 54 CO 0.14 0.05 0.00 0.74 -1.08 0.00 0.00 178.15 178.00 1a6s h THR 55 N 0.00 1.24 0.00 2.19 2.02 -1.42 -2.47 112.91 114.47 1a6s h THR 55 Ca -0.00 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1a6s h THR 55 Cb 0.71 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1a6s h THR 55 CO 0.01 0.19 0.00 0.00 0.37 0.00 0.00 175.52 176.09 1a6s n ALA 56 N -2.26 1.95 -0.24 6.16 0.00 -1.16 -2.70 120.51 122.27 1a6s n ALA 56 Ca -0.08 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1a6s n ALA 56 Cb 0.17 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.74 -0.28 -0.32 0.00 0.00 -0.95 -0.78 120.51 116.44 1a6s n ALA 57 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1a6s n ALA 57 Cb 0.31 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.12 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 0.70 -1.32 0.00 -0.00 -1.59 0.50 115.31 113.61 1a6s h LEU 58 Ca 0.00 0.07 0.04 0.00 -0.00 0.00 0.00 57.88 57.99 1a6s h LEU 58 Cb 0.00 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 40.56 1a6s h LEU 58 CO 0.00 0.28 0.49 -1.28 -0.00 0.00 0.00 178.44 177.92 1a6s h SER 59 N 0.70 0.76 0.64 0.17 0.87 -1.51 5.11 113.55 120.28 1a6s h SER 59 Ca 0.54 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 61.06 1a6s h SER 59 Cb 0.92 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1a6s h SER 59 CO -0.31 0.52 -0.15 -0.61 -0.53 0.00 0.00 176.83 175.75 1a6s h GLN 60 N 0.88 0.00 0.00 2.24 5.75 0.21 -3.36 115.11 120.83 1a6s h GLN 60 Ca 0.30 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.60 1a6s h GLN 60 Cb 0.09 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 28.50 1a6s h GLN 60 CO -0.09 0.15 -0.38 -2.13 -2.65 0.00 0.00 178.83 173.73 1a6s n ARG 61 N -3.46 0.73 0.16 1.69 0.63 0.46 -4.96 116.66 111.91 1a6s n ARG 61 Ca -0.01 -1.60 0.13 0.00 -0.92 0.00 0.00 57.85 55.45 1a6s n ARG 61 Cb 0.32 -1.10 0.49 0.00 0.45 0.00 0.00 32.46 32.61 1a6s n ARG 61 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a6s h ALA 62 N 3.47 1.00 0.00 5.13 0.00 0.99 -2.21 119.26 127.64 1a6s h ALA 62 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1a6s h ALA 62 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1a6s h ALA 62 CO 0.19 0.00 -0.12 0.52 0.00 0.00 0.00 179.25 179.84 1a6s h MET 63 N 0.00 0.00 -1.29 0.00 2.86 -1.80 -3.37 114.93 111.33 1a6s h MET 63 Ca 0.00 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.22 1a6s h MET 63 Cb 0.52 0.00 -0.31 0.00 0.06 0.00 0.00 31.60 31.88 1a6s h MET 63 CO 0.00 0.00 -0.91 -0.89 1.06 0.00 0.00 176.91 176.17 1a6s n ILE 64 N -2.51 -0.28 -0.78 -1.22 -0.00 -0.56 -3.27 119.36 110.74 1a6s n ILE 64 Ca 0.05 -3.30 0.00 0.00 -0.00 0.00 0.00 62.75 59.50 1a6s n ILE 64 Cb 0.47 -0.18 0.00 0.00 -0.00 0.00 0.00 39.64 39.92 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 0.91 0.00 -0.22 1.39 -0.00 -0.42 -4.79 117.00 113.86 1a6s n LEU 65 Ca 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.20 1a6s n LEU 65 Cb 0.62 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 44.14 1a6s n LEU 65 CO 0.14 0.00 0.81 1.23 -0.00 0.00 0.00 177.39 179.57 1a6s h GLY 66 N 0.00 0.65 -5.88 1.47 0.00 -1.63 -2.60 103.07 95.08 1a6s h GLY 66 Ca 0.00 0.12 -0.62 0.00 0.00 0.00 0.00 47.33 46.83 1a6s h GLY 66 CO 0.00 -0.23 -0.45 0.28 0.00 0.00 0.00 176.54 176.14 1a6s n LYS 67 N -5.34 3.08 0.00 4.80 5.02 -1.26 -4.97 118.16 119.49 1a6s n LYS 67 Ca 0.10 -4.75 0.00 0.00 -2.02 0.00 0.00 58.31 51.64 1a6s n LYS 67 Cb 0.38 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 1a6s n LYS 67 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1a6s n SER 68 N 0.39 0.00 -3.64 4.39 7.64 -0.98 -0.26 113.62 121.16 1a6s n SER 68 Ca 0.31 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.86 1a6s n SER 68 Cb 0.39 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.54 1a6s n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6s n GLY 69 N 0.00 4.91 2.73 0.23 0.00 -1.20 -1.31 105.19 110.55 1a6s n GLY 69 Ca 0.00 -2.73 -0.08 0.00 0.00 0.00 0.00 46.02 43.21 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 1.06 0.82 0.05 1.61 4.07 0.64 -4.96 120.64 123.93 1a6s n GLU 70 Ca 0.28 -1.71 0.03 0.00 -0.06 0.00 0.00 57.16 55.71 1a6s n GLU 70 Cb 0.38 -1.13 0.18 0.00 -0.06 0.00 0.00 31.44 30.81 1a6s n GLU 70 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1a6s n LEU 71 N 0.99 0.17 -0.31 4.31 7.94 -1.26 -2.42 117.00 126.42 1a6s n LEU 71 Ca 0.06 0.57 0.13 0.00 -1.11 0.00 0.00 56.01 55.67 1a6s n LEU 71 Cb 0.67 -0.59 0.28 0.00 0.53 0.00 0.00 43.42 44.31 1a6s n LEU 71 CO 0.02 -0.63 0.86 0.50 -1.11 0.00 0.00 177.39 177.03 1a6s h LYS 72 N 0.00 0.08 -0.35 1.96 1.63 -1.96 1.01 116.57 118.95 1a6s h LYS 72 Ca 0.00 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1a6s h LYS 72 Cb 0.02 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1a6s h LYS 72 CO 0.00 0.06 0.21 1.15 -3.45 0.00 0.00 179.45 177.41 1a6s h THR 73 N 0.09 1.12 -0.41 1.00 2.02 -1.88 -2.42 112.91 112.42 1a6s h THR 73 Ca 0.56 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.47 1a6s h THR 73 Cb 1.15 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1a6s h THR 73 CO -0.79 0.12 0.25 -0.25 0.37 0.00 0.00 175.52 175.22 1a6s h TRP 74 N 0.45 0.53 -0.96 3.16 7.01 0.45 -2.45 115.95 124.13 1a6s h TRP 74 Ca 0.12 0.00 0.20 0.00 2.11 0.00 0.00 58.89 61.33 1a6s h TRP 74 Cb 0.01 -0.17 -0.18 0.00 -2.10 0.00 0.00 29.16 26.71 1a6s h TRP 74 CO -0.04 0.36 -0.20 0.78 -2.79 0.00 0.00 178.44 176.55 1a6s h GLY 75 N 0.54 0.77 1.00 2.65 0.00 0.97 3.32 103.07 112.32 1a6s h GLY 75 Ca 0.15 0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.73 1a6s h GLY 75 CO -0.03 -0.38 0.23 1.41 0.00 0.00 0.00 176.54 177.76 1a6s h LEU 76 N 0.00 0.87 0.42 3.11 3.38 -1.25 5.07 115.31 126.91 1a6s h LEU 76 Ca 0.48 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1a6s h LEU 76 Cb 0.77 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1a6s h LEU 76 CO -0.98 0.82 -0.20 1.62 0.09 0.00 0.00 178.44 179.79 1a6s h VAL 77 N 0.87 0.36 0.46 1.22 3.04 0.18 -2.77 116.25 119.60 1a6s h VAL 77 Ca 0.20 -0.60 -0.02 0.00 -1.01 0.00 0.00 66.70 65.27 1a6s h VAL 77 Cb 0.24 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 1a6s h VAL 77 CO -0.01 0.07 -0.22 0.25 -1.01 0.00 0.00 177.57 176.65 1a6s h LEU 78 N -1.00 -0.52 -1.44 3.16 7.12 0.56 -3.03 115.31 120.16 1a6s h LEU 78 Ca -0.06 -0.04 0.42 0.00 0.13 0.00 0.00 57.88 58.33 1a6s h LEU 78 Cb 0.55 0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 40.75 1a6s h LEU 78 CO 0.09 -0.10 1.24 0.61 -0.13 0.00 0.00 178.44 180.16 1a6s n GLY 79 N 0.05 -0.82 0.13 3.75 0.00 1.66 0.21 105.19 110.16 1a6s n GLY 79 Ca -0.09 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 0.72 -0.22 -0.81 4.61 0.00 -1.36 0.57 119.26 122.77 1a6s h ALA 80 Ca 0.68 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.57 1a6s h ALA 80 Cb 3.15 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 20.92 1a6s h ALA 80 CO -0.01 -0.43 0.34 1.25 0.00 0.00 0.00 179.25 180.40 1a6s h LEU 81 N -0.60 0.30 -1.14 0.00 5.85 0.24 1.15 115.31 121.11 1a6s h LEU 81 Ca -0.02 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1a6s h LEU 81 Cb 0.45 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1a6s h LEU 81 CO 0.04 0.08 -0.29 0.11 -0.34 0.00 0.00 178.44 178.04 1a6s h LYS 82 N 0.44 0.00 -0.27 1.25 6.56 -1.34 -2.58 116.57 120.63 1a6s h LYS 82 Ca 0.47 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.92 1a6s h LYS 82 Cb 0.77 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.42 1a6s h LYS 82 CO -0.45 0.29 -0.39 0.00 -2.06 0.00 0.00 179.45 176.84 1a6s h ALA 83 N 1.71 0.81 -0.22 3.86 0.00 0.36 0.13 119.26 125.91 1a6s h ALA 83 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1a6s h ALA 83 Cb 0.76 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1a6s h ALA 83 CO 0.04 0.65 0.10 0.00 0.00 0.00 0.00 179.25 180.03 1a6s h ALA 84 N 1.04 0.29 0.00 0.00 0.00 -0.43 -0.59 119.26 119.56 1a6s h ALA 84 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a6s h ALA 84 Cb 0.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1a6s h ALA 84 CO 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1a6s h ARG 85 N 0.21 0.00 0.00 0.00 2.47 -1.39 -2.54 114.38 113.13 1a6s h ARG 85 Ca 0.07 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 1a6s h ARG 85 Cb 0.15 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1a6s h ARG 85 CO -0.01 0.00 -0.19 1.49 0.56 0.00 0.00 179.97 181.82 1a6s h GLU 86 N 0.00 0.00 0.00 0.04 4.57 0.06 -3.51 114.58 115.74 1a6s h GLU 86 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1a6s h GLU 86 Cb 0.63 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1a6s h GLU 86 CO 0.00 0.19 0.00 -1.91 -1.18 0.00 0.00 179.01 176.11