#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 0.02 0.04 1.61 -0.58 -1.26 0.54 120.64 121.02 1a6s n GLU 2 Ca 0.00 0.43 -0.19 0.00 -0.42 0.00 0.00 57.16 56.98 1a6s n GLU 2 Cb 0.00 -1.71 -0.14 0.00 -0.57 0.00 0.00 31.44 29.02 1a6s n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a6s h ALA 3 N 1.54 0.32 -1.18 0.62 0.00 -1.96 -2.98 119.26 115.62 1a6s h ALA 3 Ca 0.00 -1.22 0.34 0.00 0.00 0.00 0.00 54.91 54.03 1a6s h ALA 3 Cb 0.25 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1a6s h ALA 3 CO 0.00 1.19 0.98 -0.24 0.00 0.00 0.00 179.25 181.17 1a6s h VAL 4 N 0.08 0.23 0.00 0.00 3.04 -0.11 3.05 116.25 122.54 1a6s h VAL 4 Ca -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1a6s h VAL 4 Cb 2.05 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1a6s h VAL 4 CO 0.14 0.00 -0.24 -0.38 -1.01 0.00 0.00 177.57 176.09 1a6s n ILE 5 N -3.84 0.55 0.31 3.17 -0.00 -1.24 -3.89 119.36 114.41 1a6s n ILE 5 Ca 0.26 0.39 0.11 0.00 -0.00 0.00 0.00 62.75 63.51 1a6s n ILE 5 Cb 1.35 -1.84 0.61 0.00 -0.00 0.00 0.00 39.64 39.77 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 -0.38 0.00 0.00 0.38 1.63 -1.22 -1.87 116.57 115.11 1a6s h LYS 6 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1a6s h LYS 6 Cb 0.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1a6s h LYS 6 CO 0.00 0.00 0.00 1.55 -3.45 0.00 0.00 179.45 177.55 1a6s n VAL 7 N -2.69 0.00 -0.35 2.00 3.14 1.01 0.31 118.33 121.75 1a6s n VAL 7 Ca -0.01 1.02 0.27 0.00 -2.96 0.00 0.00 64.34 62.66 1a6s n VAL 7 Cb 0.47 -1.92 0.52 0.00 -1.06 0.00 0.00 33.84 31.86 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 0.24 0.00 1.55 2.10 -1.48 6.00 117.51 125.92 1a6s h ILE 8 Ca 0.00 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.86 1a6s h ILE 8 Cb 0.00 -0.03 0.00 0.00 -1.09 0.00 0.00 36.82 35.70 1a6s h ILE 8 CO 0.00 0.04 0.00 -1.20 -1.08 0.00 0.00 178.15 175.91 1a6s n SER 9 N -5.01 0.00 -0.21 2.19 7.64 -0.84 -1.91 113.62 115.48 1a6s n SER 9 Ca 0.33 0.64 -0.00 0.00 1.01 0.00 0.00 58.87 60.85 1a6s n SER 9 Cb 1.09 -0.49 0.11 0.00 -1.01 0.00 0.00 64.21 63.92 1a6s n SER 9 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1a6s h SER 10 N 0.00 0.34 0.07 6.43 0.87 0.55 -2.18 113.55 119.63 1a6s h SER 10 Ca 0.00 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1a6s h SER 10 Cb 0.00 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 1a6s h SER 10 CO 0.00 0.20 -0.43 0.00 -0.53 0.00 0.00 176.83 176.07 1a6s h ALA 11 N 1.40 -0.75 -0.68 6.23 0.00 1.23 12.36 119.26 139.05 1a6s h ALA 11 Ca 0.31 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.28 1a6s h ALA 11 Cb 0.34 0.75 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 1a6s h ALA 11 CO -0.27 -0.99 -0.21 0.00 0.00 0.00 0.00 179.25 177.77 1a6s n LYS 13 N -5.06 0.26 -0.36 0.00 4.81 -0.40 -3.66 118.16 113.74 1a6s n LYS 13 Ca 0.09 0.23 0.31 0.00 -0.87 0.00 0.00 58.31 58.07 1a6s n LYS 13 Cb 0.31 -1.09 0.64 0.00 0.02 0.00 0.00 35.03 34.91 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 -0.52 0.38 0.00 3.15 2.02 2.90 14.36 112.91 135.20 1a6s h THR 14 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1a6s h THR 14 Cb 0.42 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1a6s h THR 14 CO 0.00 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.92 1a6s n TYR 15 N -4.44 0.00 -0.11 3.16 4.19 1.75 -3.39 117.16 118.33 1a6s n TYR 15 Ca 0.28 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 61.27 1a6s n TYR 15 Cb 1.17 -0.39 -0.08 0.00 0.49 0.00 0.00 39.34 40.53 1a6s n TYR 15 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1a6s n GLY 17 N 1.65 -0.73 5.71 0.00 0.00 0.61 -4.94 105.19 107.49 1a6s n GLY 17 Ca -0.41 0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.75 1a6s n GLY 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a6s n LYS 18 N -1.95 -0.45 -0.36 1.61 4.81 4.34 -3.99 118.16 122.16 1a6s n LYS 18 Ca -0.01 0.30 0.08 0.00 -0.87 0.00 0.00 58.31 57.81 1a6s n LYS 18 Cb 0.03 -0.55 0.25 0.00 0.02 0.00 0.00 35.03 34.77 1a6s n LYS 18 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1a6s n THR 19 N -1.83 1.47 -0.04 3.15 -1.04 -1.26 -1.22 114.28 113.50 1a6s n THR 19 Ca 0.00 -1.23 -0.02 0.00 -2.04 0.00 0.00 64.05 60.77 1a6s n THR 19 Cb 0.10 0.26 -0.01 0.00 -1.82 0.00 0.00 70.33 68.86 1a6s n THR 19 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1a6s h SER 20 N 2.76 0.00 -2.80 8.00 0.02 -1.94 -3.48 113.55 116.11 1a6s h SER 20 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1a6s h SER 20 Cb 1.08 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.73 1a6s h SER 20 CO 0.10 0.46 0.15 -0.81 -1.14 0.00 0.00 176.83 175.59 1a6s n PRO 21 N -3.91 -1.46 -0.47 3.45 -0.04 -1.26 -5.03 135.00 126.30 1a6s n PRO 21 Ca -0.03 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 1a6s n PRO 21 Cb 0.11 -0.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1a6s n PRO 21 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a6s n SER 22 N -3.76 0.00 -4.69 3.54 2.88 -1.26 -4.97 113.62 105.37 1a6s n SER 22 Ca 0.09 -1.47 -0.42 0.00 -1.33 0.00 0.00 58.87 55.73 1a6s n SER 22 Cb 0.33 -0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 63.67 1a6s n SER 22 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1a6s s LYS 23 N 0.00 4.31 -1.18 -1.46 2.47 -1.26 -3.46 119.74 119.16 1a6s s LYS 23 Ca 0.00 1.81 -0.00 0.00 -1.56 0.00 0.00 55.97 56.22 1a6s s LYS 23 Cb 0.00 -3.58 0.00 0.00 -1.46 0.00 0.00 37.83 32.79 1a6s s LYS 23 CO 0.00 -0.52 0.00 1.63 0.16 0.00 0.00 175.35 176.62 1a6s n LYS 24 N 5.36 -0.95 0.00 4.03 4.01 -1.26 -4.87 118.16 124.48 1a6s n LYS 24 Ca 0.12 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.99 1a6s n LYS 24 Cb 0.45 -2.72 0.00 0.00 -0.51 0.00 0.00 35.03 32.24 1a6s n LYS 24 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1a6s n GLU 25 N -3.73 0.00 -0.22 1.97 0.28 -1.23 -2.91 120.64 114.81 1a6s n GLU 25 Ca -0.25 0.00 0.26 0.00 -0.16 0.00 0.00 57.16 57.01 1a6s n GLU 25 Cb 0.53 0.00 0.64 0.00 1.43 0.00 0.00 31.44 34.05 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 0.57 0.08 3.84 2.04 -1.90 -1.76 117.51 120.38 1a6s h ILE 26 Ca 0.00 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1a6s h ILE 26 Cb 0.00 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1a6s h ILE 26 CO 0.00 0.03 -0.31 1.23 0.00 0.00 0.00 178.15 179.10 1a6s h GLY 27 N 0.15 -1.18 -0.12 5.37 0.00 -1.93 -1.25 103.07 104.11 1a6s h GLY 27 Ca 0.47 0.59 0.16 0.00 0.00 0.00 0.00 47.33 48.55 1a6s h GLY 27 CO -0.09 -0.35 0.13 0.00 0.00 0.00 0.00 176.54 176.23 1a6s h ALA 28 N -0.98 0.89 -0.58 3.60 0.00 -1.19 2.19 119.26 123.18 1a6s h ALA 28 Ca -0.01 0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1a6s h ALA 28 Cb 0.45 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.40 1a6s h ALA 28 CO -0.16 -0.36 -0.31 1.98 0.00 0.00 0.00 179.25 180.40 1a6s h MET 29 N 0.22 -0.14 0.00 0.00 -1.53 -1.11 4.15 114.93 116.52 1a6s h MET 29 Ca 0.41 0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.67 1a6s h MET 29 Cb 0.70 0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 31.78 1a6s h MET 29 CO -0.54 -0.09 -0.07 -0.07 0.14 0.00 0.00 176.91 176.28 1a6s h LEU 30 N -0.15 0.00 -1.91 3.39 3.38 0.11 -2.83 115.31 117.30 1a6s h LEU 30 Ca 0.24 -0.16 0.21 0.00 0.09 0.00 0.00 57.88 58.26 1a6s h LEU 30 Cb 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1a6s h LEU 30 CO -0.66 0.61 0.62 0.28 0.09 0.00 0.00 178.44 179.38 1a6s h SER 31 N -1.00 0.00 0.05 -0.43 0.02 0.36 7.95 113.55 120.51 1a6s h SER 31 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1a6s h SER 31 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1a6s h SER 31 CO -0.00 0.00 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.59 1a6s h LEU 32 N 0.00 -0.06 -0.02 5.07 -0.00 0.80 -1.52 115.31 119.58 1a6s h LEU 32 Ca 0.34 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 58.11 1a6s h LEU 32 Cb 1.58 0.01 0.01 0.00 -0.00 0.00 0.00 40.66 42.26 1a6s h LEU 32 CO -0.00 -0.01 -0.41 -0.07 -0.00 0.00 0.00 178.44 177.95 1a6s h LEU 33 N -0.14 0.39 0.00 1.67 -0.00 -1.11 -1.65 115.31 114.48 1a6s h LEU 33 Ca -0.01 -0.74 0.00 0.00 -0.00 0.00 0.00 57.88 57.13 1a6s h LEU 33 Cb 0.05 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 1a6s h LEU 33 CO 0.01 1.08 0.00 1.67 -0.00 0.00 0.00 178.44 181.20 1a6s n GLN 34 N -4.37 0.39 -0.74 1.13 7.27 2.54 -1.47 117.38 122.13 1a6s n GLN 34 Ca -0.10 0.05 0.05 0.00 0.07 0.00 0.00 57.00 57.06 1a6s n GLN 34 Cb 0.57 -1.50 0.08 0.00 2.41 0.00 0.00 30.24 31.80 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 -1.09 0.61 0.00 3.69 0.00 -0.57 -4.67 118.16 116.13 1a6s n LYS 35 Ca 0.10 -2.14 0.00 0.00 0.00 0.00 0.00 58.31 56.27 1a6s n LYS 35 Cb 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 35.03 34.30 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 -0.39 0.34 -1.27 1.64 -0.58 -0.54 -4.50 120.64 115.33 1a6s n GLU 36 Ca 0.09 -0.50 -0.04 0.00 -0.42 0.00 0.00 57.16 56.29 1a6s n GLU 36 Cb 0.82 -0.67 -0.01 0.00 -0.57 0.00 0.00 31.44 31.01 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 -0.09 0.23 0.58 0.62 0.00 -1.18 -4.65 105.19 100.71 1a6s n GLY 37 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.40 2.57 -4.65 0.99 0.00 -1.25 -5.03 117.00 108.23 1a6s n LEU 38 Ca -0.04 -3.70 -0.28 0.00 0.00 0.00 0.00 56.01 51.99 1a6s n LEU 38 Cb 0.17 -0.49 -0.08 0.00 0.00 0.00 0.00 43.42 43.01 1a6s n LEU 38 CO 0.05 1.28 -0.35 -0.22 0.00 0.00 0.00 177.39 178.15 1a6s s LEU 39 N -3.02 3.27 0.00 -1.96 1.98 -1.25 -4.81 118.68 112.89 1a6s s LEU 39 Ca 0.37 -0.36 0.00 0.00 -2.89 0.00 0.00 54.13 51.25 1a6s s LEU 39 Cb 0.36 -1.97 0.00 0.00 0.66 0.00 0.00 46.19 45.24 1a6s s LEU 39 CO -0.06 0.13 0.00 0.80 -1.89 0.00 0.00 176.35 175.32 1a6s n MET 40 N 0.20 4.59 0.00 1.98 1.56 -1.26 -5.06 117.12 119.12 1a6s n MET 40 Ca -0.11 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.32 1a6s n MET 40 Cb 0.54 -0.55 0.00 0.00 2.15 0.00 0.00 33.22 35.36 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 -0.23 0.00 -0.58 6.12 2.88 -1.26 -4.95 113.62 115.60 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 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.74 0.75 0.27 -1.46 -0.04 -1.26 -3.55 135.00 128.97 1a6s n PRO 42 Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 1a6s n PRO 42 Cb 0.00 -1.34 0.65 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.29 0.00 -1.24 3.54 0.87 -1.93 -3.09 113.55 112.00 1a6s h SER 43 Ca 0.00 0.00 0.36 0.00 -1.23 0.00 0.00 61.79 60.92 1a6s h SER 43 Cb 0.44 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.35 1a6s h SER 43 CO 0.00 0.00 1.27 -0.67 -0.53 0.00 0.00 176.83 176.90 1a6s n ASP 44 N -3.03 0.00 0.02 6.23 2.03 -1.23 0.49 116.55 121.05 1a6s n ASP 44 Ca 0.01 0.81 -0.14 0.00 0.52 0.00 0.00 54.79 55.98 1a6s n ASP 44 Cb 0.31 -0.31 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 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 0.22 -0.74 -2.67 6.46 -1.72 -3.30 115.31 113.56 1a6s h LEU 45 Ca 0.59 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1a6s h LEU 45 Cb 3.11 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 42.97 1a6s h LEU 45 CO -0.01 1.34 0.18 -1.22 -0.62 0.00 0.00 178.44 178.12 1a6s n TYR 46 N -3.30 0.38 -3.73 1.25 4.01 1.82 -4.35 117.16 113.25 1a6s n TYR 46 Ca -0.19 0.20 -0.12 0.00 -0.16 0.00 0.00 57.90 57.63 1a6s n TYR 46 Cb 1.04 -0.68 -0.12 0.00 -0.31 0.00 0.00 39.34 39.27 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 -3.35 -0.38 0.03 7.72 0.15 -1.02 -5.12 113.70 111.72 1a6s s SER 47 Ca -0.01 0.70 -0.30 0.00 0.70 0.00 0.00 55.95 57.04 1a6s s SER 47 Cb 0.03 0.62 -0.05 0.00 -1.71 0.00 0.00 66.02 64.92 1a6s s SER 47 CO 0.10 -0.16 1.18 -2.16 1.20 0.00 0.00 173.24 173.40 1a6s s PRO 48 N 0.97 4.43 0.00 5.44 0.04 -1.26 -4.20 135.00 140.41 1a6s s PRO 48 Ca -0.06 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1a6s s PRO 48 Cb -0.07 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1a6s s PRO 48 CO -0.07 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.10 1a6s n GLY 49 N 3.22 0.36 0.05 0.56 0.00 -1.26 -5.03 105.19 103.09 1a6s n GLY 49 Ca 0.09 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.58 0.48 -0.62 1.61 7.64 -1.26 -4.69 113.62 116.20 1a6s n SER 50 Ca 0.00 -1.38 0.13 0.00 1.01 0.00 0.00 58.87 58.63 1a6s n SER 50 Cb 0.27 -0.04 0.24 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.15 0.00 0.24 1.43 7.02 -1.26 -3.82 117.44 120.91 1a6s n TRP 51 Ca 0.01 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.62 1a6s n TRP 51 Cb 0.47 -0.02 0.47 0.00 -2.42 0.00 0.00 31.31 29.81 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 3.05 0.00 -0.03 -0.99 -0.00 -2.00 -2.17 116.42 114.28 1a6s h ASP 52 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.03 56.89 1a6s h ASP 52 Cb 0.73 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 40.07 1a6s h ASP 52 CO 0.00 0.08 -0.53 1.55 -0.00 0.00 0.00 179.24 180.34 1a6s h PRO 53 N 0.00 0.41 0.00 0.28 0.13 -1.94 -3.12 132.00 127.76 1a6s h PRO 53 Ca -0.00 -0.40 -0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1a6s h PRO 53 Cb 0.74 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1a6s h PRO 53 CO 0.01 1.06 -0.16 0.97 -0.23 0.00 0.00 178.00 179.65 1a6s h ILE 54 N -0.08 0.38 0.70 -3.56 2.10 -1.76 -1.15 117.51 114.14 1a6s h ILE 54 Ca -0.06 -1.00 -0.03 0.00 1.08 0.00 0.00 64.86 64.85 1a6s h ILE 54 Cb 1.22 1.75 0.01 0.00 -1.09 0.00 0.00 36.82 38.71 1a6s h ILE 54 CO 0.11 0.16 -0.34 0.74 -1.08 0.00 0.00 178.15 177.74 1a6s h THR 55 N 0.00 0.29 0.00 2.19 2.02 -1.35 -2.51 112.91 113.54 1a6s h THR 55 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1a6s h THR 55 Cb 0.73 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1a6s h THR 55 CO 0.02 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.92 1a6s n ALA 56 N -2.53 2.18 -0.57 6.16 0.00 -1.19 -2.80 120.51 121.76 1a6s n ALA 56 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1a6s n ALA 56 Cb 0.39 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.70 -0.21 -0.21 0.00 0.00 -0.44 0.71 120.51 118.67 1a6s n ALA 57 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1a6s n ALA 57 Cb 0.37 0.02 0.07 0.00 0.00 0.00 0.00 19.45 19.91 1a6s n ALA 57 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1a6s h LEU 58 N 0.00 0.53 -1.30 0.00 4.07 -1.63 -0.24 115.31 116.75 1a6s h LEU 58 Ca 0.00 0.02 0.16 0.00 0.08 0.00 0.00 57.88 58.14 1a6s h LEU 58 Cb 0.00 -0.09 -0.07 0.00 1.08 0.00 0.00 40.66 41.58 1a6s h LEU 58 CO 0.00 0.36 0.59 -1.28 -1.08 0.00 0.00 178.44 177.02 1a6s h SER 59 N 0.66 0.61 1.02 -0.43 0.87 -1.55 5.41 113.55 120.14 1a6s h SER 59 Ca 0.27 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.81 1a6s h SER 59 Cb 0.12 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1a6s h SER 59 CO -0.15 0.28 -0.28 -0.61 -0.53 0.00 0.00 176.83 175.54 1a6s h GLN 60 N 0.63 0.00 0.00 2.24 5.75 0.20 -3.38 115.11 120.56 1a6s h GLN 60 Ca 0.47 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.75 1a6s h GLN 60 Cb 0.85 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.26 1a6s h GLN 60 CO -0.22 0.28 -0.48 0.54 -2.65 0.00 0.00 178.83 176.30 1a6s n ARG 61 N -3.39 0.83 0.31 1.69 1.74 0.23 -4.96 116.66 113.11 1a6s n ARG 61 Ca 0.00 -1.77 0.20 0.00 -0.77 0.00 0.00 57.85 55.52 1a6s n ARG 61 Cb 0.49 -1.36 0.98 0.00 -1.02 0.00 0.00 32.46 31.55 1a6s n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a6s h ALA 62 N 3.77 1.00 0.00 7.54 0.00 1.03 -0.43 119.26 132.18 1a6s h ALA 62 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1a6s h ALA 62 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1a6s h ALA 62 CO 0.28 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.20 1a6s n MET 63 N -3.06 0.57 -1.93 0.00 2.81 -1.26 -2.36 117.12 111.89 1a6s n MET 63 Ca -0.01 0.02 -0.13 0.00 -1.81 0.00 0.00 57.70 55.76 1a6s n MET 63 Cb 0.17 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.24 1a6s n MET 63 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1a6s n ILE 64 N -1.04 2.10 -3.43 2.02 -0.00 -0.17 -4.91 119.36 113.93 1a6s n ILE 64 Ca 0.14 -3.64 -0.21 0.00 -0.00 0.00 0.00 62.75 59.03 1a6s n ILE 64 Cb 0.08 -0.41 0.00 0.00 -0.00 0.00 0.00 39.64 39.32 1a6s n ILE 64 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 1a6s s LEU 65 N -3.40 3.19 0.28 1.39 2.96 -1.00 -4.66 118.68 117.45 1a6s s LEU 65 Ca 0.43 -0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1a6s s LEU 65 Cb 0.38 -1.83 0.64 0.00 0.50 0.00 0.00 46.19 45.88 1a6s s LEU 65 CO -0.00 -0.95 1.63 1.23 -1.32 0.00 0.00 176.35 176.94 1a6s h GLY 66 N 0.70 1.19 -4.48 7.98 0.00 -1.86 -3.39 103.07 103.21 1a6s h GLY 66 Ca -0.37 0.04 -0.69 0.00 0.00 0.00 0.00 47.33 46.31 1a6s h GLY 66 CO 0.51 -0.37 -0.85 1.25 0.00 0.00 0.00 176.54 177.08 1a6s s LYS 67 N -6.00 2.02 0.00 4.80 2.47 -1.26 -4.99 119.74 116.77 1a6s s LYS 67 Ca -0.13 -0.99 0.21 0.00 -1.56 0.00 0.00 55.97 53.50 1a6s s LYS 67 Cb 0.25 -2.09 1.03 0.00 -1.46 0.00 0.00 37.83 35.57 1a6s s LYS 67 CO 0.77 0.54 1.67 -1.13 0.16 0.00 0.00 175.35 177.36 1a6s n SER 68 N 1.96 0.00 0.00 1.43 3.41 -1.26 -4.30 113.62 114.85 1a6s n SER 68 Ca -0.17 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1a6s n SER 68 Cb 0.52 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1a6s n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6s n GLY 69 N 0.53 -0.71 1.58 5.00 0.00 -1.26 -4.92 105.19 105.41 1a6s n GLY 69 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.00 1.61 2.13 -1.26 -5.03 120.64 118.09 1a6s n GLU 70 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1a6s n GLU 70 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1a6s n GLU 70 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1a6s n LEU 71 N -2.18 0.00 0.32 4.31 7.94 -1.26 -4.72 117.00 121.40 1a6s n LEU 71 Ca 0.00 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.73 1a6s n LEU 71 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 1a6s n LEU 71 CO 0.00 0.00 0.64 0.50 -1.11 0.00 0.00 177.39 177.42 1a6s h LYS 72 N 0.00 -0.74 -0.91 1.96 3.11 -1.97 -1.79 116.57 116.23 1a6s h LYS 72 Ca 0.00 0.05 0.14 0.00 -2.81 0.00 0.00 60.65 58.03 1a6s h LYS 72 Cb 0.00 0.17 -0.09 0.00 -1.00 0.00 0.00 32.23 31.31 1a6s h LYS 72 CO 0.00 -0.47 0.52 1.15 -2.81 0.00 0.00 179.45 177.84 1a6s h THR 73 N -0.83 0.79 -0.13 1.00 2.02 -1.97 0.76 112.91 114.55 1a6s h THR 73 Ca -0.08 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 66.88 1a6s h THR 73 Cb 0.61 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1a6s h THR 73 CO 0.13 0.14 0.09 -0.25 0.37 0.00 0.00 175.52 176.00 1a6s h TRP 74 N 0.76 0.02 0.35 3.16 7.01 -1.89 0.15 115.95 125.50 1a6s h TRP 74 Ca 0.49 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.47 1a6s h TRP 74 Cb 0.63 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.69 1a6s h TRP 74 CO -0.05 0.01 -0.17 0.78 -2.79 0.00 0.00 178.44 176.22 1a6s h GLY 75 N 0.02 -0.49 0.79 2.65 0.00 0.14 3.16 103.07 109.34 1a6s h GLY 75 Ca 0.06 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1a6s h GLY 75 CO -0.00 -0.18 0.02 -2.00 0.00 0.00 0.00 176.54 174.38 1a6s h LEU 76 N -0.56 0.19 0.49 3.11 6.46 -1.09 5.13 115.31 129.04 1a6s h LEU 76 Ca -0.05 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.42 1a6s h LEU 76 Cb 0.42 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1a6s h LEU 76 CO 0.08 0.41 -0.24 1.62 -0.62 0.00 0.00 178.44 179.69 1a6s h VAL 77 N -0.04 0.46 0.42 1.05 3.04 -0.68 -2.27 116.25 118.22 1a6s h VAL 77 Ca 0.04 -0.30 -0.02 0.00 -1.01 0.00 0.00 66.70 65.40 1a6s h VAL 77 Cb 0.30 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 1a6s h VAL 77 CO 0.00 0.05 -0.20 0.25 -1.01 0.00 0.00 177.57 176.66 1a6s h LEU 78 N -0.86 -0.48 -1.68 3.16 7.12 0.58 -3.03 115.31 120.12 1a6s h LEU 78 Ca -0.07 -0.08 0.49 0.00 0.13 0.00 0.00 57.88 58.35 1a6s h LEU 78 Cb 0.59 0.12 -0.07 0.00 -0.53 0.00 0.00 40.66 40.77 1a6s h LEU 78 CO 0.11 -0.05 1.29 0.61 -0.13 0.00 0.00 178.44 180.27 1a6s n GLY 79 N 0.05 -0.88 0.10 3.75 0.00 1.68 0.27 105.19 110.16 1a6s n GLY 79 Ca -0.09 0.59 -0.12 0.00 0.00 0.00 0.00 46.02 46.40 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 0.84 0.19 -0.81 4.61 0.00 -1.27 -1.68 119.26 121.13 1a6s h ALA 80 Ca 0.80 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.69 1a6s h ALA 80 Cb 3.36 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 21.00 1a6s h ALA 80 CO -0.01 -0.15 0.37 1.25 0.00 0.00 0.00 179.25 180.71 1a6s h LEU 81 N 0.02 0.40 -1.68 0.00 5.85 0.37 1.02 115.31 121.29 1a6s h LEU 81 Ca 0.04 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1a6s h LEU 81 Cb 0.30 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1a6s h LEU 81 CO 0.00 0.16 -0.15 0.11 -0.34 0.00 0.00 178.44 178.22 1a6s h LYS 82 N 0.53 0.00 -0.33 1.25 6.56 -1.27 -1.97 116.57 121.34 1a6s h LYS 82 Ca 0.44 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.89 1a6s h LYS 82 Cb 0.66 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.31 1a6s h LYS 82 CO -0.39 0.15 -0.35 0.00 -2.06 0.00 0.00 179.45 176.80 1a6s h ALA 83 N 1.85 0.75 -0.16 3.86 0.00 0.20 0.90 119.26 126.65 1a6s h ALA 83 Ca -0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1a6s h ALA 83 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1a6s h ALA 83 CO 0.02 0.66 0.09 0.00 0.00 0.00 0.00 179.25 180.01 1a6s h ALA 84 N 0.97 0.21 0.00 0.00 0.00 -0.47 1.03 119.26 120.99 1a6s h ALA 84 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a6s h ALA 84 Cb 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1a6s h ALA 84 CO 0.08 -0.26 0.00 -0.09 0.00 0.00 0.00 179.25 178.98 1a6s h ARG 85 N 0.16 0.00 0.00 0.00 9.65 -1.40 -3.26 114.38 119.53 1a6s h ARG 85 Ca 0.06 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1a6s h ARG 85 Cb 0.07 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1a6s h ARG 85 CO -0.01 0.00 -0.36 1.49 2.80 0.00 0.00 179.97 183.89 1a6s h GLU 86 N 0.00 0.00 0.00 0.20 4.81 0.29 -3.51 114.58 116.37 1a6s h GLU 86 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1a6s h GLU 86 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1a6s h GLU 86 CO 0.00 0.07 0.00 -1.91 -0.73 0.00 0.00 179.01 176.44