#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6s h GLU 2 N 0.00 0.15 -0.60 1.61 5.08 -2.00 -3.35 114.58 115.47 1a6s h GLU 2 Ca 0.00 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 1a6s h GLU 2 Cb 0.00 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1a6s h GLU 2 CO 0.00 0.91 0.00 0.00 -1.00 0.00 0.00 179.01 178.92 1a6s h ALA 3 N 0.57 0.81 -0.62 3.43 0.00 -1.99 2.85 119.26 124.32 1a6s h ALA 3 Ca -0.31 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 54.42 1a6s h ALA 3 Cb 2.01 -0.22 -0.12 0.00 0.00 0.00 0.00 17.79 19.46 1a6s h ALA 3 CO 0.11 0.65 -0.17 -0.39 0.00 0.00 0.00 179.25 179.45 1a6s h VAL 4 N 0.96 0.36 0.11 0.00 -1.51 -1.85 1.42 116.25 115.73 1a6s h VAL 4 Ca 0.17 0.00 -0.30 0.00 -1.23 0.00 0.00 66.70 65.34 1a6s h VAL 4 Cb 0.56 0.36 -0.01 0.00 -2.13 0.00 0.00 31.29 30.06 1a6s h VAL 4 CO 0.03 0.00 -1.58 0.40 -1.23 0.00 0.00 177.57 175.19 1a6s h ILE 5 N -0.02 0.89 -1.02 7.19 1.08 -1.64 -3.23 117.51 120.77 1a6s h ILE 5 Ca 0.29 -2.36 0.25 0.00 -0.39 0.00 0.00 64.86 62.65 1a6s h ILE 5 Cb 0.47 2.59 -0.10 0.00 -3.07 0.00 0.00 36.82 36.71 1a6s h ILE 5 CO -0.65 0.71 0.64 0.11 -0.69 0.00 0.00 178.15 178.28 1a6s h LYS 6 N -0.27 0.46 0.63 2.37 1.57 0.56 0.96 116.57 122.86 1a6s h LYS 6 Ca -0.35 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1a6s h LYS 6 Cb 1.80 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 34.01 1a6s h LYS 6 CO 0.04 0.31 -0.30 -0.24 -0.57 0.00 0.00 179.45 178.68 1a6s h VAL 7 N 0.48 0.03 -0.93 0.50 3.04 0.18 1.12 116.25 120.66 1a6s h VAL 7 Ca 0.59 -0.38 0.17 0.00 -1.01 0.00 0.00 66.70 66.08 1a6s h VAL 7 Cb 1.35 0.05 -0.10 0.00 -2.01 0.00 0.00 31.29 30.58 1a6s h VAL 7 CO -0.33 0.01 0.53 0.40 -1.01 0.00 0.00 177.57 177.16 1a6s h ILE 8 N -1.21 0.72 0.10 3.17 1.08 -1.18 4.58 117.51 124.77 1a6s h ILE 8 Ca -0.09 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1a6s h ILE 8 Cb 0.66 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.36 1a6s h ILE 8 CO 0.14 0.13 -0.05 -1.28 -0.69 0.00 0.00 178.15 176.40 1a6s h SER 9 N 0.70 -0.12 -0.24 1.72 0.87 0.96 -0.07 113.55 117.38 1a6s h SER 9 Ca 0.52 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 61.13 1a6s h SER 9 Cb 0.78 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.73 1a6s h SER 9 CO -0.37 -0.03 -0.00 -1.28 -0.53 0.00 0.00 176.83 174.61 1a6s h SER 10 N -0.24 -0.10 0.26 6.23 0.87 0.15 -2.72 113.55 118.00 1a6s h SER 10 Ca -0.01 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1a6s h SER 10 Cb 0.11 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 1a6s h SER 10 CO 0.02 -0.02 -0.51 0.00 -0.53 0.00 0.00 176.83 175.80 1a6s h ALA 11 N 1.21 -1.05 -0.61 6.23 0.00 0.89 19.00 119.26 144.93 1a6s h ALA 11 Ca 0.11 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1a6s h ALA 11 Cb 0.15 0.83 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 1a6s h ALA 11 CO -0.20 -1.14 -0.17 0.00 0.00 0.00 0.00 179.25 177.74 1a6s n LYS 13 N -4.97 0.43 -0.32 0.00 0.00 -0.50 -3.48 118.16 109.33 1a6s n LYS 13 Ca 0.09 0.26 0.19 0.00 0.00 0.00 0.00 58.31 58.85 1a6s n LYS 13 Cb 0.29 -1.35 0.45 0.00 0.00 0.00 0.00 35.03 34.42 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 -0.84 0.61 0.00 3.15 2.02 4.45 3.76 112.91 126.05 1a6s h THR 14 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1a6s h THR 14 Cb 0.73 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1a6s h THR 14 CO 0.00 0.09 0.00 0.00 0.37 0.00 0.00 175.52 175.98 1a6s n TYR 15 N -4.66 0.00 -1.97 3.16 4.19 1.95 -0.46 117.16 119.37 1a6s n TYR 15 Ca 0.24 0.00 -0.33 0.00 3.31 0.00 0.00 57.90 61.11 1a6s n TYR 15 Cb 0.75 -0.33 0.03 0.00 0.49 0.00 0.00 39.34 40.28 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 -0.62 0.00 5.09 0.00 0.00 1.18 -4.79 105.19 106.05 1a6s n GLY 17 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.16 0.00 0.00 1.61 4.81 0.23 -1.92 118.16 122.72 1a6s n LYS 18 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1a6s n LYS 18 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1a6s n LYS 18 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1a6s n THR 19 N 0.00 0.00 -0.14 3.15 5.66 -1.26 -3.54 114.28 118.15 1a6s n THR 19 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1a6s n THR 19 Cb 0.00 -0.16 -0.02 0.00 -1.55 0.00 0.00 70.33 68.60 1a6s n THR 19 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1a6s n SER 20 N -1.88 -0.05 -3.70 1.09 7.64 -0.81 -4.80 113.62 111.10 1a6s n SER 20 Ca 0.00 -0.02 -0.29 0.00 1.01 0.00 0.00 58.87 59.57 1a6s n SER 20 Cb 0.00 -0.07 0.22 0.00 -1.01 0.00 0.00 64.21 63.36 1a6s n SER 20 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1a6s n PRO 21 N 0.63 -2.19 0.00 1.43 -0.04 -1.26 -4.91 135.00 128.66 1a6s n PRO 21 Ca 0.06 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 1a6s n PRO 21 Cb 0.01 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1a6s n PRO 21 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1a6s n SER 22 N -4.34 0.00 0.00 3.54 7.64 -1.26 -5.13 113.62 114.07 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 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.98 -0.42 0.00 1.97 5.02 -1.26 -4.91 118.16 117.58 1a6s n LYS 24 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1a6s n LYS 24 Cb 0.00 -3.63 0.00 0.00 -0.02 0.00 0.00 35.03 31.38 1a6s n LYS 24 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1a6s n GLU 25 N -1.63 0.00 -0.26 1.97 0.28 -1.26 -2.71 120.64 117.03 1a6s n GLU 25 Ca 0.00 0.00 0.24 0.00 -0.16 0.00 0.00 57.16 57.24 1a6s n GLU 25 Cb 0.10 -0.12 0.58 0.00 1.43 0.00 0.00 31.44 33.43 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 0.58 -0.19 3.84 2.04 -1.91 -0.40 117.51 121.46 1a6s h ILE 26 Ca 0.00 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1a6s h ILE 26 Cb 0.00 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.29 1a6s h ILE 26 CO 0.00 0.05 -0.33 1.23 0.00 0.00 0.00 178.15 179.10 1a6s h GLY 27 N 0.28 -0.42 0.17 5.37 0.00 -1.96 -2.06 103.07 104.44 1a6s h GLY 27 Ca 0.51 0.41 0.04 0.00 0.00 0.00 0.00 47.33 48.29 1a6s h GLY 27 CO -0.16 -0.22 -0.36 0.00 0.00 0.00 0.00 176.54 175.80 1a6s h ALA 28 N 0.47 -0.51 -0.75 3.60 0.00 -0.86 0.69 119.26 121.90 1a6s h ALA 28 Ca 0.11 -0.01 0.31 0.00 0.00 0.00 0.00 54.91 55.32 1a6s h ALA 28 Cb 0.55 0.66 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 1a6s h ALA 28 CO -0.40 -0.87 0.37 -0.12 0.00 0.00 0.00 179.25 178.24 1a6s n MET 29 N -5.43 -0.05 0.00 0.00 0.00 -0.80 0.62 117.12 111.47 1a6s n MET 29 Ca -0.04 1.04 0.00 0.00 0.00 0.00 0.00 57.70 58.70 1a6s n MET 29 Cb 0.34 -1.86 0.00 0.00 0.00 0.00 0.00 33.22 31.71 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 -4.73 0.43 -0.21 -0.89 7.94 -0.15 -2.93 117.00 116.46 1a6s n LEU 30 Ca 0.28 0.10 0.28 0.00 -1.11 0.00 0.00 56.01 55.56 1a6s n LEU 30 Cb 0.94 -0.29 0.70 0.00 0.53 0.00 0.00 43.42 45.29 1a6s n LEU 30 CO 0.00 -0.29 1.26 0.28 -1.11 0.00 0.00 177.39 177.54 1a6s h SER 31 N 0.00 0.06 0.20 1.96 0.02 0.66 9.76 113.55 126.22 1a6s h SER 31 Ca 0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1a6s h SER 31 Cb 0.00 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1a6s h SER 31 CO 0.00 0.02 -0.10 0.25 -1.14 0.00 0.00 176.83 175.86 1a6s h LEU 32 N 0.06 -0.23 -0.01 5.07 7.12 1.80 -1.22 115.31 127.89 1a6s h LEU 32 Ca 0.46 0.01 -0.04 0.00 0.13 0.00 0.00 57.88 58.43 1a6s h LEU 32 Cb 1.72 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.91 1a6s h LEU 32 CO -0.04 -0.01 -0.15 -0.07 -0.13 0.00 0.00 178.44 178.04 1a6s h LEU 33 N -0.58 0.16 0.00 2.25 -0.00 -0.74 -0.04 115.31 116.36 1a6s h LEU 33 Ca -0.03 -0.72 0.00 0.00 -0.00 0.00 0.00 57.88 57.13 1a6s h LEU 33 Cb 0.21 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1a6s h LEU 33 CO 0.05 0.86 0.00 0.00 -0.00 0.00 0.00 178.44 179.34 1a6s n GLN 34 N -4.60 0.52 -1.10 1.13 6.02 3.09 0.34 117.38 122.78 1a6s n GLN 34 Ca -0.09 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 56.93 1a6s n GLN 34 Cb 0.44 -1.38 0.02 0.00 1.02 0.00 0.00 30.24 30.34 1a6s n GLN 34 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1a6s n LYS 35 N -0.88 0.09 0.00 -1.09 4.81 -0.46 -4.49 118.16 116.14 1a6s n LYS 35 Ca 0.10 -1.73 0.00 0.00 -0.87 0.00 0.00 58.31 55.81 1a6s n LYS 35 Cb 0.04 -0.26 0.00 0.00 0.02 0.00 0.00 35.03 34.83 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 0.23 0.00 0.00 1.64 -0.58 -0.04 -4.50 120.64 117.38 1a6s n GLU 36 Ca 0.05 -0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.51 1a6s n GLU 36 Cb 0.97 -0.49 0.00 0.00 -0.57 0.00 0.00 31.44 31.35 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 1.41 2.77 0.62 0.00 -1.10 -4.46 105.19 104.43 1a6s n GLY 37 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 1.25 -0.48 0.99 4.32 0.15 -4.81 117.00 118.42 1a6s n LEU 38 Ca 0.00 -3.27 0.04 0.00 -0.02 0.00 0.00 56.01 52.76 1a6s n LEU 38 Cb 0.00 0.43 0.11 0.00 -1.62 0.00 0.00 43.42 42.34 1a6s n LEU 38 CO 0.00 1.27 0.58 -0.11 -1.22 0.00 0.00 177.39 177.91 1a6s n LEU 39 N -0.48 2.64 -0.88 2.23 0.00 -1.25 -3.72 117.00 115.54 1a6s n LEU 39 Ca 0.06 -1.92 0.07 0.00 0.00 0.00 0.00 56.01 54.22 1a6s n LEU 39 Cb 0.81 -0.17 0.21 0.00 0.00 0.00 0.00 43.42 44.28 1a6s n LEU 39 CO 0.12 0.65 0.68 0.80 0.00 0.00 0.00 177.39 179.64 1a6s n MET 40 N 0.30 2.94 0.00 1.96 1.56 -1.26 -4.92 117.12 117.70 1a6s n MET 40 Ca 0.09 -2.33 0.00 0.00 -0.27 0.00 0.00 57.70 55.19 1a6s n MET 40 Cb 0.37 -1.45 0.00 0.00 2.15 0.00 0.00 33.22 34.29 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 0.63 0.00 0.00 6.12 2.88 -1.26 -5.00 113.62 116.99 1a6s n SER 41 Ca 0.16 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.81 1a6s n SER 41 Cb 0.56 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.53 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 0.00 0.14 0.02 -1.46 -0.04 -1.26 -2.72 135.00 129.68 1a6s n PRO 42 Ca 0.00 0.10 0.06 0.00 -0.04 0.00 0.00 63.50 63.63 1a6s n PRO 42 Cb 0.00 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.25 1a6s n PRO 42 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a6s n SER 43 N -1.41 0.08 -0.49 3.54 2.88 -1.26 -3.30 113.62 113.67 1a6s n SER 43 Ca 0.08 0.52 0.38 0.00 -1.33 0.00 0.00 58.87 58.52 1a6s n SER 43 Cb 0.22 -0.54 0.61 0.00 -0.75 0.00 0.00 64.21 63.76 1a6s n SER 43 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1a6s n ASP 44 N -1.59 0.08 -0.26 -3.46 -0.08 -1.10 0.41 116.55 110.54 1a6s n ASP 44 Ca 0.03 0.96 0.17 0.00 -1.51 0.00 0.00 54.79 54.44 1a6s n ASP 44 Cb 0.15 -0.48 0.46 0.00 2.34 0.00 0.00 41.12 43.60 1a6s n ASP 44 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1a6s h LEU 45 N 0.00 0.50 0.00 -2.67 6.46 -1.77 1.04 115.31 118.87 1a6s h LEU 45 Ca 0.74 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.55 1a6s h LEU 45 Cb 2.71 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 42.60 1a6s h LEU 45 CO -0.19 0.20 0.00 -1.22 -0.62 0.00 0.00 178.44 176.62 1a6s n TYR 46 N -4.56 0.00 -4.84 1.25 4.01 1.35 -4.53 117.16 109.84 1a6s n TYR 46 Ca 0.20 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.63 1a6s n TYR 46 Cb 0.65 -0.39 -0.14 0.00 -0.31 0.00 0.00 39.34 39.15 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 -2.77 3.38 -0.41 7.72 0.15 0.36 -5.08 113.70 117.04 1a6s s SER 47 Ca 0.02 -0.53 -0.29 0.00 0.70 0.00 0.00 55.95 55.85 1a6s s SER 47 Cb 0.02 -0.40 0.01 0.00 -1.71 0.00 0.00 66.02 63.94 1a6s s SER 47 CO 0.04 0.26 1.41 -2.16 1.20 0.00 0.00 173.24 173.99 1a6s s PRO 48 N -1.28 3.57 0.00 5.44 0.04 -1.26 -4.07 135.00 137.44 1a6s s PRO 48 Ca 0.13 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1a6s s PRO 48 Cb -0.10 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.41 1a6s s PRO 48 CO 0.03 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 175.91 1a6s n GLY 49 N 5.08 0.60 0.00 0.56 0.00 -1.26 -5.06 105.19 105.12 1a6s n GLY 49 Ca 0.16 -0.77 0.05 0.00 0.00 0.00 0.00 46.02 45.46 1a6s n GLY 49 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a6s n SER 50 N 0.00 2.44 0.00 1.61 2.88 -1.26 -4.27 113.62 115.02 1a6s n SER 50 Ca 0.00 -0.13 0.05 0.00 -1.33 0.00 0.00 58.87 57.46 1a6s n SER 50 Cb 0.00 1.34 -0.12 0.00 -0.75 0.00 0.00 64.21 64.68 1a6s n SER 50 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1a6s n TRP 51 N -1.70 0.35 0.14 0.66 7.02 -1.26 -3.83 117.44 118.82 1a6s n TRP 51 Ca -0.01 0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 1a6s n TRP 51 Cb 0.22 -0.78 0.17 0.00 -2.42 0.00 0.00 31.31 28.51 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 0.00 0.00 0.60 -0.99 -0.00 -1.99 -2.36 116.42 111.68 1a6s h ASP 52 Ca -0.13 0.00 -0.17 0.00 -0.00 0.00 0.00 57.03 56.73 1a6s h ASP 52 Cb 1.33 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.64 1a6s h ASP 52 CO 0.01 0.59 -0.78 1.55 -0.00 0.00 0.00 179.24 180.61 1a6s h PRO 53 N 0.00 0.14 0.00 0.28 0.13 -1.74 -2.99 132.00 127.81 1a6s h PRO 53 Ca -0.01 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 64.91 1a6s h PRO 53 Cb 1.14 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1a6s h PRO 53 CO 0.08 0.85 -0.40 0.97 -0.23 0.00 0.00 178.00 179.27 1a6s h ILE 54 N 0.09 0.77 0.51 -3.56 2.10 -1.63 -1.66 117.51 114.12 1a6s h ILE 54 Ca -0.02 -1.81 -0.03 0.00 1.08 0.00 0.00 64.86 64.08 1a6s h ILE 54 Cb 1.37 2.18 0.01 0.00 -1.09 0.00 0.00 36.82 39.28 1a6s h ILE 54 CO 0.11 0.39 -0.25 0.74 -1.08 0.00 0.00 178.15 178.07 1a6s h THR 55 N 0.00 0.43 0.00 2.19 2.02 -1.28 -2.64 112.91 113.63 1a6s h THR 55 Ca -0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1a6s h THR 55 Cb 1.14 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1a6s h THR 55 CO 0.05 0.05 0.00 0.00 0.37 0.00 0.00 175.52 175.99 1a6s n ALA 56 N -2.51 2.00 -0.58 6.16 0.00 -1.18 -2.85 120.51 121.55 1a6s n ALA 56 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1a6s n ALA 56 Cb 0.32 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.69 -0.18 -0.32 0.00 0.00 -0.63 -0.11 120.51 117.58 1a6s n ALA 57 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.63 1a6s n ALA 57 Cb 0.31 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.14 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 0.67 -1.40 0.00 -0.00 -1.60 0.60 115.31 113.58 1a6s h LEU 58 Ca 0.00 0.08 0.02 0.00 -0.00 0.00 0.00 57.88 57.98 1a6s h LEU 58 Cb 0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.58 1a6s h LEU 58 CO 0.00 0.25 0.42 -1.28 -0.00 0.00 0.00 178.44 177.83 1a6s h SER 59 N 0.66 0.69 0.79 0.17 0.87 -1.52 4.83 113.55 120.04 1a6s h SER 59 Ca 0.55 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 61.08 1a6s h SER 59 Cb 0.99 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1a6s h SER 59 CO -0.31 0.49 -0.07 -0.61 -0.53 0.00 0.00 176.83 175.79 1a6s h GLN 60 N 0.81 0.00 0.00 2.24 5.75 0.37 -3.38 115.11 120.91 1a6s h GLN 60 Ca 0.24 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.62 1a6s h GLN 60 Cb -0.02 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 28.40 1a6s h GLN 60 CO -0.06 0.07 -0.22 2.89 -2.65 0.00 0.00 178.83 178.87 1a6s n ARG 61 N -3.25 0.38 0.22 1.69 1.85 0.41 -4.99 116.66 112.98 1a6s n ARG 61 Ca -0.00 -1.09 0.11 0.00 -1.00 0.00 0.00 57.85 55.87 1a6s n ARG 61 Cb 0.30 -0.71 0.35 0.00 -1.05 0.00 0.00 32.46 31.35 1a6s n ARG 61 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1a6s h ALA 62 N 3.48 0.95 0.00 2.89 0.00 0.93 -2.72 119.26 124.79 1a6s h ALA 62 Ca -0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1a6s h ALA 62 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1a6s h ALA 62 CO 0.01 0.16 0.00 -0.12 0.00 0.00 0.00 179.25 179.30 1a6s n MET 63 N -3.18 0.85 -2.71 0.00 0.00 -1.26 -3.32 117.12 107.50 1a6s n MET 63 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.70 57.63 1a6s n MET 63 Cb 0.48 -1.39 0.05 0.00 0.00 0.00 0.00 33.22 32.36 1a6s n MET 63 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1a6s n ILE 64 N -0.89 0.63 -3.30 1.12 -0.00 -1.03 -5.00 119.36 110.89 1a6s n ILE 64 Ca 0.16 -2.74 -0.22 0.00 -0.00 0.00 0.00 62.75 59.95 1a6s n ILE 64 Cb 0.07 0.70 0.04 0.00 -0.00 0.00 0.00 39.64 40.46 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 -3.06 2.93 -0.12 1.39 0.20 -1.21 -4.99 118.68 113.82 1a6s s LEU 65 Ca 0.27 -1.01 0.03 0.00 0.69 0.00 0.00 54.13 54.10 1a6s s LEU 65 Cb 0.43 -1.42 0.24 0.00 -0.43 0.00 0.00 46.19 45.01 1a6s s LEU 65 CO -0.00 -1.31 1.15 0.61 -0.29 0.00 0.00 176.35 176.51 1a6s n GLY 66 N -2.13 2.51 0.38 7.98 0.00 -1.26 -3.60 105.19 109.06 1a6s n GLY 66 Ca 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 1a6s n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a6s n LYS 67 N 0.05 0.02 0.00 1.61 3.00 -1.26 -4.90 118.16 116.68 1a6s n LYS 67 Ca 0.16 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1a6s n LYS 67 Cb 0.76 -0.83 0.00 0.00 0.00 0.00 0.00 35.03 34.96 1a6s n LYS 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1a6s n SER 68 N -2.72 0.00 -0.27 3.14 2.88 -1.24 -4.61 113.62 110.81 1a6s n SER 68 Ca -0.01 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.45 1a6s n SER 68 Cb 0.51 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 1a6s n SER 68 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1a6s h GLY 69 N 0.00 -1.50 0.00 0.46 0.00 -1.94 -3.46 103.07 96.62 1a6s h GLY 69 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 47.33 48.26 1a6s h GLY 69 CO 0.00 -0.33 0.00 -2.21 0.00 0.00 0.00 176.54 174.00 1a6s n GLU 70 N -4.46 0.00 -0.69 4.80 2.13 -1.26 -5.01 120.64 116.14 1a6s n GLU 70 Ca 0.01 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.83 1a6s n GLU 70 Cb 0.17 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.88 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 -1.53 -0.05 -0.09 4.31 7.94 -1.26 -4.82 117.00 121.50 1a6s n LEU 71 Ca 0.00 -0.26 -0.11 0.00 -1.11 0.00 0.00 56.01 54.52 1a6s n LEU 71 Cb 0.00 0.16 -0.04 0.00 0.53 0.00 0.00 43.42 44.07 1a6s n LEU 71 CO 0.00 0.63 0.76 0.50 -1.11 0.00 0.00 177.39 178.17 1a6s h LYS 72 N 0.01 0.46 -0.36 1.96 1.63 -1.97 -2.15 116.57 116.14 1a6s h LYS 72 Ca -0.03 -0.15 0.01 0.00 -0.85 0.00 0.00 60.65 59.63 1a6s h LYS 72 Cb 0.62 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 1a6s h LYS 72 CO -0.01 0.62 0.23 1.79 -3.45 0.00 0.00 179.45 178.63 1a6s h THR 73 N 0.24 1.08 -0.19 1.00 1.35 -1.95 0.12 112.91 114.56 1a6s h THR 73 Ca 0.07 -0.16 0.06 0.00 -0.55 0.00 0.00 66.41 65.83 1a6s h THR 73 Cb 0.42 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 67.40 1a6s h THR 73 CO 0.01 0.09 0.17 -0.25 -0.25 0.00 0.00 175.52 175.29 1a6s h TRP 74 N 0.47 0.00 0.78 4.73 7.01 -1.92 0.13 115.95 127.15 1a6s h TRP 74 Ca 0.13 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.09 1a6s h TRP 74 Cb -0.04 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.02 1a6s h TRP 74 CO -0.06 0.00 -0.38 0.78 -2.79 0.00 0.00 178.44 176.00 1a6s h GLY 75 N 0.00 -1.10 0.99 2.65 0.00 -0.29 3.29 103.07 108.61 1a6s h GLY 75 Ca 0.09 0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.82 1a6s h GLY 75 CO -0.00 -0.40 0.34 -2.00 0.00 0.00 0.00 176.54 174.48 1a6s h LEU 76 N -1.17 0.68 0.59 3.11 6.46 -1.12 6.99 115.31 130.84 1a6s h LEU 76 Ca -0.11 -0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.56 1a6s h LEU 76 Cb 0.81 -0.17 0.01 0.00 -0.73 0.00 0.00 40.66 40.57 1a6s h LEU 76 CO 0.18 0.54 -0.28 1.62 -0.62 0.00 0.00 178.44 179.88 1a6s h VAL 77 N 0.76 0.21 0.44 1.05 3.04 -0.75 -2.82 116.25 118.18 1a6s h VAL 77 Ca 0.20 -0.38 -0.02 0.00 -1.01 0.00 0.00 66.70 65.49 1a6s h VAL 77 Cb -0.01 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 29.57 1a6s h VAL 77 CO -0.04 0.03 -0.21 0.25 -1.01 0.00 0.00 177.57 176.59 1a6s h LEU 78 N -1.10 -0.50 -1.33 3.16 7.12 0.62 -3.11 115.31 120.18 1a6s h LEU 78 Ca -0.08 -0.02 0.40 0.00 0.13 0.00 0.00 57.88 58.30 1a6s h LEU 78 Cb 0.66 0.13 -0.07 0.00 -0.53 0.00 0.00 40.66 40.85 1a6s h LEU 78 CO 0.13 -0.07 0.94 0.61 -0.13 0.00 0.00 178.44 179.92 1a6s n GLY 79 N 0.17 -0.68 0.09 3.75 0.00 2.25 0.38 105.19 111.15 1a6s n GLY 79 Ca -0.08 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 0.79 0.09 -0.74 4.61 0.00 -1.42 -1.05 119.26 121.54 1a6s h ALA 80 Ca 0.66 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 55.39 1a6s h ALA 80 Cb 2.56 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 20.25 1a6s h ALA 80 CO -0.07 -0.07 0.33 1.25 0.00 0.00 0.00 179.25 180.69 1a6s h LEU 81 N -0.31 0.37 -1.27 0.00 5.85 0.70 0.72 115.31 121.36 1a6s h LEU 81 Ca 0.01 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1a6s h LEU 81 Cb 0.64 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1a6s h LEU 81 CO 0.02 0.17 -0.21 0.11 -0.34 0.00 0.00 178.44 178.20 1a6s h LYS 82 N 0.51 0.00 -0.22 1.25 6.56 -1.32 -2.41 116.57 120.94 1a6s h LYS 82 Ca 0.39 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.86 1a6s h LYS 82 Cb 0.53 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.18 1a6s h LYS 82 CO -0.35 0.21 -0.39 0.00 -2.06 0.00 0.00 179.45 176.85 1a6s h ALA 83 N 1.79 0.91 -0.02 3.86 0.00 0.17 0.31 119.26 126.28 1a6s h ALA 83 Ca -0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1a6s h ALA 83 Cb 0.67 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1a6s h ALA 83 CO 0.03 0.63 0.01 0.00 0.00 0.00 0.00 179.25 179.91 1a6s h ALA 84 N 1.15 0.03 0.00 0.00 0.00 -0.57 0.27 119.26 120.14 1a6s h ALA 84 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1a6s h ALA 84 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1a6s h ALA 84 CO 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 178.97 1a6s h ARG 85 N -0.18 0.00 0.13 0.00 2.47 -1.42 -2.92 114.38 112.46 1a6s h ARG 85 Ca 0.01 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.49 1a6s h ARG 85 Cb 0.23 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.56 1a6s h ARG 85 CO 0.00 0.00 -1.16 1.49 0.56 0.00 0.00 179.97 180.86 1a6s h GLU 86 N 0.00 0.28 0.00 0.04 4.81 -0.26 -3.51 114.58 115.94 1a6s h GLU 86 Ca 0.00 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1a6s h GLU 86 Cb 0.43 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1a6s h GLU 86 CO 0.00 1.23 0.00 0.39 -0.73 0.00 0.00 179.01 179.90