#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4otc s ILE 2 N 0.00 1.38 -0.06 4.25 1.01 -1.26 -1.74 121.20 124.78 4otc s ILE 2 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.08 4otc s ILE 2 Cb 0.00 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 4otc s ILE 2 CO 0.00 0.35 -0.16 0.00 0.00 0.00 0.00 174.94 175.13 4otc s ALA 3 N 1.55 2.59 -0.14 9.38 0.00 -0.01 -5.00 121.76 130.12 4otc s ALA 3 Ca 0.03 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.03 4otc s ALA 3 Cb -0.14 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.04 4otc s ALA 3 CO -0.09 0.49 -0.18 -1.14 0.00 0.00 0.00 175.76 174.83 4otc s GLN 4 N -0.50 2.68 -0.15 0.00 0.74 -1.26 0.08 119.66 121.24 4otc s GLN 4 Ca 0.06 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 54.75 4otc s GLN 4 Cb -0.12 -2.26 -0.01 0.00 1.10 0.00 0.00 33.01 31.72 4otc s GLN 4 CO 0.01 -0.11 -0.12 0.42 -0.55 0.00 0.00 175.29 174.94 4otc s ILE 5 N 1.08 2.99 -0.32 -2.34 1.01 0.11 -4.96 121.20 118.77 4otc s ILE 5 Ca -0.02 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 4otc s ILE 5 Cb -0.14 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 4otc s ILE 5 CO -0.06 0.50 0.20 -1.00 0.00 0.00 0.00 174.94 174.59 4otc s HIS 6 N 0.70 3.21 0.08 3.97 3.76 -1.26 0.15 115.29 125.90 4otc s HIS 6 Ca -0.06 -0.31 0.05 0.00 -0.15 0.00 0.00 55.06 54.60 4otc s HIS 6 Cb -0.15 -2.42 -0.03 0.00 1.11 0.00 0.00 32.58 31.09 4otc s HIS 6 CO 0.02 -0.37 -0.14 0.96 -0.85 0.00 0.00 174.74 174.36 4otc s ILE 7 N 1.69 1.17 0.40 0.60 -4.36 -0.62 -4.99 121.20 115.09 4otc s ILE 7 Ca 0.06 -1.42 -0.26 0.00 -0.26 0.00 0.00 60.65 58.77 4otc s ILE 7 Cb -0.17 -1.20 -0.09 0.00 1.25 0.00 0.00 42.46 42.25 4otc s ILE 7 CO 0.09 -0.28 1.22 -0.76 0.24 0.00 0.00 174.94 175.44 4otc s LEU 8 N -1.94 4.21 0.79 0.37 1.43 -1.26 0.18 118.68 122.46 4otc s LEU 8 Ca 0.01 2.46 -0.13 0.00 -1.03 0.00 0.00 54.13 55.43 4otc s LEU 8 Cb -0.08 -3.96 0.07 0.00 0.03 0.00 0.00 46.19 42.24 4otc s LEU 8 CO 0.02 -0.72 1.19 -1.83 0.23 0.00 0.00 176.35 175.24 4otc s GLU 9 N -2.25 1.80 0.00 1.70 -1.05 -0.13 -4.43 118.70 114.34 4otc s GLU 9 Ca 0.57 1.67 0.00 0.00 -0.15 0.00 0.00 54.97 57.06 4otc s GLU 9 Cb -0.33 -1.80 0.00 0.00 -0.44 0.00 0.00 34.13 31.55 4otc s GLU 9 CO 0.42 -2.07 0.00 0.41 0.95 0.00 0.00 175.26 174.97 4otc n GLY 10 N 0.26 1.34 3.85 -3.83 0.00 -1.26 -4.93 105.19 100.62 4otc n GLY 10 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 4otc n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4otc s ARG 11 N 0.00 3.94 0.65 1.61 3.00 -1.26 -5.06 118.95 121.83 4otc s ARG 11 Ca 0.00 0.66 -0.13 0.00 0.00 0.00 0.00 55.73 56.27 4otc s ARG 11 Cb 0.00 -2.37 -0.01 0.00 0.00 0.00 0.00 34.95 32.56 4otc s ARG 11 CO 0.00 0.04 1.05 -1.54 0.00 0.00 0.00 175.30 174.86 4otc s SER 12 N -2.62 5.60 0.42 0.23 1.04 -1.26 -4.89 113.70 112.22 4otc s SER 12 Ca 0.54 1.67 0.13 0.00 0.48 0.00 0.00 55.95 58.77 4otc s SER 12 Cb -0.10 -2.51 0.99 0.00 0.10 0.00 0.00 66.02 64.50 4otc s SER 12 CO 0.23 -1.29 1.97 0.44 0.98 0.00 0.00 173.24 175.57 4otc h ASP 13 N -0.25 0.41 -0.22 7.02 5.19 -1.99 -1.45 116.42 125.13 4otc h ASP 13 Ca -0.45 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 55.94 4otc h ASP 13 Cb 1.21 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 4otc h ASP 13 CO 0.57 0.25 0.03 -0.08 -3.12 0.00 0.00 179.24 176.89 4otc h GLU 14 N 0.45 0.37 -0.71 3.56 4.81 -1.99 -0.82 114.58 120.26 4otc h GLU 14 Ca 0.29 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 4otc h GLU 14 Cb 0.52 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 4otc h GLU 14 CO -0.08 0.52 0.29 1.96 -0.73 0.00 0.00 179.01 180.96 4otc h GLN 15 N 0.16 1.05 -0.22 1.92 4.20 -1.66 -1.70 115.11 118.86 4otc h GLN 15 Ca 0.07 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.50 4otc h GLN 15 Cb 0.33 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 4otc h GLN 15 CO 0.01 0.86 -0.27 0.87 -0.67 0.00 0.00 178.83 179.63 4otc h LYS 16 N 1.01 0.43 -0.53 1.46 1.57 -1.20 -0.39 116.57 118.93 4otc h LYS 16 Ca 0.24 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 4otc h LYS 16 Cb 0.20 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 4otc h LYS 16 CO -0.02 0.67 -0.09 0.93 -0.57 0.00 0.00 179.45 180.36 4otc h GLU 17 N 0.38 0.97 -0.25 3.15 5.08 -0.78 -1.53 114.58 121.60 4otc h GLU 17 Ca 0.05 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 4otc h GLU 17 Cb 0.68 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 4otc h GLU 17 CO 0.05 1.01 -0.07 1.15 -1.00 0.00 0.00 179.01 180.16 4otc h THR 18 N 0.87 1.29 -0.40 1.13 2.02 -0.96 -2.15 112.91 114.72 4otc h THR 18 Ca 0.14 -1.09 0.07 0.00 0.77 0.00 0.00 66.41 66.31 4otc h THR 18 Cb 0.64 1.48 -0.07 0.00 -1.74 0.00 0.00 68.15 68.46 4otc h THR 18 CO 0.04 0.34 -0.02 0.25 0.37 0.00 0.00 175.52 176.50 4otc h LEU 19 N 0.23 -0.21 -0.99 2.58 5.85 -0.84 0.28 115.31 122.22 4otc h LEU 19 Ca 0.06 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.91 4otc h LEU 19 Cb 0.54 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 4otc h LEU 19 CO 0.03 -0.06 0.65 0.40 -0.34 0.00 0.00 178.44 179.11 4otc h ILE 20 N 0.08 1.20 0.08 4.05 2.04 -1.20 -0.59 117.51 123.17 4otc h ILE 20 Ca 0.19 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 4otc h ILE 20 Cb 0.28 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 4otc h ILE 20 CO -0.34 0.23 -0.04 -0.09 0.00 0.00 0.00 178.15 177.91 4otc h ARG 21 N 1.28 -0.10 -0.55 2.37 2.43 -0.43 -2.52 114.38 116.86 4otc h ARG 21 Ca 0.38 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.56 4otc h ARG 21 Cb -0.06 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 4otc h ARG 21 CO -0.11 0.36 0.33 0.93 -1.51 0.00 0.00 179.97 179.98 4otc h GLU 22 N -0.61 0.75 -0.74 0.20 4.39 -0.39 -1.98 114.58 116.19 4otc h GLU 22 Ca -0.01 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 4otc h GLU 22 Cb 0.51 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 4otc h GLU 22 CO 0.02 0.54 0.26 0.28 -1.16 0.00 0.00 179.01 178.94 4otc h VAL 23 N 0.74 1.26 -0.65 3.13 2.07 -1.20 -0.36 116.25 121.23 4otc h VAL 23 Ca 0.20 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 4otc h VAL 23 Cb -0.02 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 4otc h VAL 23 CO -0.04 0.34 0.25 0.28 0.02 0.00 0.00 177.57 178.43 4otc h SER 24 N 1.08 0.91 -0.47 0.57 0.02 -1.20 -1.01 113.55 113.44 4otc h SER 24 Ca 0.24 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 4otc h SER 24 Cb 0.26 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 4otc h SER 24 CO -0.01 0.84 0.04 -0.08 -1.14 0.00 0.00 176.83 176.47 4otc h GLU 25 N 0.92 0.80 -0.58 3.45 4.81 -1.07 -0.77 114.58 122.15 4otc h GLU 25 Ca 0.22 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 4otc h GLU 25 Cb 0.22 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 4otc h GLU 25 CO -0.02 0.83 0.26 0.00 -0.73 0.00 0.00 179.01 179.36 4otc h ALA 26 N 0.94 1.37 -0.05 2.92 0.00 -0.77 0.05 119.26 123.72 4otc h ALA 26 Ca 0.14 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 4otc h ALA 26 Cb 0.45 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.01 4otc h ALA 26 CO 0.02 0.48 -0.47 0.82 0.00 0.00 0.00 179.25 180.10 4otc h ILE 27 N 0.82 1.42 -0.35 0.00 2.04 -0.90 -1.28 117.51 119.26 4otc h ILE 27 Ca 0.20 -1.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 4otc h ILE 27 Cb 0.11 2.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 4otc h ILE 27 CO -0.02 0.55 0.20 -1.28 0.00 0.00 0.00 178.15 177.60 4otc h SER 28 N -0.09 0.42 -0.45 1.72 0.87 -0.91 -2.26 113.55 112.85 4otc h SER 28 Ca -0.04 -0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.33 4otc h SER 28 Cb 1.14 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 4otc h SER 28 CO 0.09 0.36 -0.18 -0.09 -0.53 0.00 0.00 176.83 176.49 4otc h ARG 29 N 0.45 0.92 -0.80 2.24 2.43 -1.05 0.41 114.38 118.97 4otc h ARG 29 Ca 0.12 -0.39 -0.02 0.00 -0.81 0.00 0.00 59.98 58.88 4otc h ARG 29 Cb 0.02 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 4otc h ARG 29 CO -0.02 1.04 0.40 0.77 -1.51 0.00 0.00 179.97 180.66 4otc h SER 30 N 0.76 1.03 -0.12 -3.80 0.02 -1.07 -3.19 113.55 107.18 4otc h SER 30 Ca 0.11 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 4otc h SER 30 Cb 0.75 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.02 4otc h SER 30 CO 0.06 0.85 0.00 0.18 -1.14 0.00 0.00 176.83 176.78 4otc n LEU 31 N -4.32 2.39 -3.62 5.07 4.77 -0.87 -4.98 117.00 115.45 4otc n LEU 31 Ca 0.08 -1.24 -0.22 0.00 -0.03 0.00 0.00 56.01 54.59 4otc n LEU 31 Cb 0.12 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 4otc n LEU 31 CO 0.39 0.49 0.13 0.47 -1.33 0.00 0.00 177.39 177.54 4otc n ASP 32 N 0.77 -3.82 -4.65 -1.43 8.00 0.01 -4.99 116.55 110.44 4otc n ASP 32 Ca 0.10 -0.66 -0.32 0.00 0.71 0.00 0.00 54.79 54.62 4otc n ASP 32 Cb 0.37 -4.70 -0.09 0.00 -0.02 0.00 0.00 41.12 36.68 4otc n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 4otc s ALA 33 N -3.39 3.19 0.21 2.24 0.00 -0.49 -5.05 121.76 118.48 4otc s ALA 33 Ca 0.31 -1.03 -0.32 0.00 0.00 0.00 0.00 51.96 50.91 4otc s ALA 33 Cb -0.14 -1.21 -0.12 0.00 0.00 0.00 0.00 23.12 21.64 4otc s ALA 33 CO 0.76 0.65 1.66 -2.30 0.00 0.00 0.00 175.76 176.54 4otc n PRO 34 N 1.16 2.59 -0.30 0.00 -0.02 -1.26 -4.58 135.00 132.59 4otc n PRO 34 Ca -0.14 0.93 0.16 0.00 -2.02 0.00 0.00 63.50 62.44 4otc n PRO 34 Cb 0.52 -2.75 0.42 0.00 -0.02 0.00 0.00 33.50 31.67 4otc n PRO 34 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 4otc h LEU 35 N 6.22 0.59 -0.68 2.45 5.85 -1.93 0.16 115.31 127.98 4otc h LEU 35 Ca -0.44 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.34 4otc h LEU 35 Cb 1.22 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.21 4otc h LEU 35 CO 0.91 0.23 0.00 0.35 -0.34 0.00 0.00 178.44 179.59 4otc n THR 36 N -4.62 1.03 1.12 1.05 -2.24 -1.26 -1.58 114.28 107.78 4otc n THR 36 Ca 0.21 0.39 0.13 0.00 -2.27 0.00 0.00 64.05 62.50 4otc n THR 36 Cb 0.63 -1.31 0.38 0.00 -2.10 0.00 0.00 70.33 67.93 4otc n THR 36 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 4otc n SER 37 N -2.03 0.56 -4.68 3.42 3.41 0.54 -4.84 113.62 110.01 4otc n SER 37 Ca 0.01 -0.36 -0.40 0.00 -0.26 0.00 0.00 58.87 57.86 4otc n SER 37 Cb 0.15 0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 4otc n SER 37 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 4otc s VAL 38 N -2.80 4.98 -0.08 -3.33 1.01 -0.61 -2.07 120.40 117.50 4otc s VAL 38 Ca 0.17 1.38 0.04 0.00 0.00 0.00 0.00 61.98 63.57 4otc s VAL 38 Cb 0.18 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 4otc s VAL 38 CO 0.60 0.11 -0.22 -0.13 0.00 0.00 0.00 175.10 175.46 4otc s ARG 39 N 1.75 2.67 -0.07 2.72 0.52 -0.71 -4.98 118.95 120.85 4otc s ARG 39 Ca 0.33 -0.81 0.05 0.00 -0.52 0.00 0.00 55.73 54.78 4otc s ARG 39 Cb -0.16 -2.10 -0.00 0.00 0.52 0.00 0.00 34.95 33.20 4otc s ARG 39 CO 0.12 0.21 -0.21 0.08 0.02 0.00 0.00 175.30 175.52 4otc s VAL 40 N 0.25 1.77 -0.14 3.52 1.01 -1.26 -0.83 120.40 124.72 4otc s VAL 40 Ca -0.14 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 60.98 4otc s VAL 40 Cb -0.16 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.70 4otc s VAL 40 CO 0.07 0.50 -0.22 -0.63 0.00 0.00 0.00 175.10 174.82 4otc s ILE 41 N 0.14 2.07 -0.20 2.22 1.01 0.11 -4.98 121.20 121.56 4otc s ILE 41 Ca -0.09 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.50 4otc s ILE 41 Cb -0.15 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 4otc s ILE 41 CO 0.05 0.55 0.09 -0.63 0.00 0.00 0.00 174.94 174.99 4otc s ILE 42 N 0.85 4.87 -0.20 2.92 1.01 -1.26 0.09 121.20 129.47 4otc s ILE 42 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.61 4otc s ILE 42 Cb -0.15 -3.22 0.04 0.00 0.01 0.00 0.00 42.46 39.13 4otc s ILE 42 CO -0.03 0.42 -0.15 -0.89 0.00 0.00 0.00 174.94 174.29 4otc s THR 43 N 0.68 1.95 0.16 2.92 2.01 0.12 -4.93 115.64 118.56 4otc s THR 43 Ca 0.05 -1.12 -0.20 0.00 0.31 0.00 0.00 61.69 60.72 4otc s THR 43 Cb -0.13 -1.91 -0.08 0.00 0.01 0.00 0.00 72.50 70.39 4otc s THR 43 CO 0.02 0.29 0.68 -1.61 -0.69 0.00 0.00 174.62 173.31 4otc s GLU 44 N 1.28 4.29 -0.09 4.92 2.02 -1.26 -1.59 118.70 128.27 4otc s GLU 44 Ca -0.00 0.87 0.01 0.00 0.02 0.00 0.00 54.97 55.86 4otc s GLU 44 Cb -0.16 -3.07 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 4otc s GLU 44 CO -0.10 0.51 -0.10 -1.64 0.02 0.00 0.00 175.26 173.95 4otc s MET 45 N -1.55 2.95 0.51 1.61 -1.94 0.13 -4.86 119.30 116.16 4otc s MET 45 Ca 0.37 -0.62 -0.21 0.00 -1.71 0.00 0.00 55.69 53.51 4otc s MET 45 Cb -0.19 -2.58 -0.06 0.00 2.01 0.00 0.00 34.83 34.02 4otc s MET 45 CO 0.22 0.48 1.19 0.00 -0.01 0.00 0.00 175.02 176.90 4otc s ALA 46 N -0.34 2.81 0.60 3.03 0.00 -1.26 -0.96 121.76 125.64 4otc s ALA 46 Ca 0.04 0.99 0.29 0.00 0.00 0.00 0.00 51.96 53.28 4otc s ALA 46 Cb -0.13 -3.42 1.62 0.00 0.00 0.00 0.00 23.12 21.20 4otc s ALA 46 CO 0.02 -0.88 2.02 0.87 0.00 0.00 0.00 175.76 177.80 4otc h LYS 47 N 1.57 0.00 -0.45 0.00 1.57 -1.96 0.15 116.57 117.45 4otc h LYS 47 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 4otc h LYS 47 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 4otc h LYS 47 CO 0.58 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.87 4otc n GLY 48 N -1.40 1.21 0.28 3.86 0.00 -1.26 -4.00 105.19 103.86 4otc n GLY 48 Ca 0.03 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.55 4otc n GLY 48 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 4otc n HIS 49 N 0.90 0.16 -4.11 1.61 8.25 0.54 -4.96 115.22 117.62 4otc n HIS 49 Ca 0.16 -0.38 -0.29 0.00 -0.26 0.00 0.00 57.72 56.96 4otc n HIS 49 Cb 0.41 -0.03 -0.17 0.00 1.12 0.00 0.00 29.99 31.33 4otc n HIS 49 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 4otc s PHE 50 N -0.86 1.97 0.09 4.41 5.36 -1.24 -4.89 117.98 122.81 4otc s PHE 50 Ca 0.10 -1.04 0.09 0.00 -0.96 0.00 0.00 56.93 55.12 4otc s PHE 50 Cb 0.05 -1.47 -0.04 0.00 -0.34 0.00 0.00 43.02 41.23 4otc s PHE 50 CO 0.07 -0.59 -0.21 0.20 -1.46 0.00 0.00 175.22 173.24 4otc s GLY 51 N 1.40 1.61 -0.09 13.12 0.00 -1.26 -0.35 107.32 121.75 4otc s GLY 51 Ca 0.02 -1.33 -0.02 0.00 0.00 0.00 0.00 44.72 43.39 4otc s GLY 51 CO -0.08 -1.27 0.04 -0.42 0.00 0.00 0.00 173.10 171.37 4otc s ILE 52 N -1.03 0.13 -1.26 0.90 1.01 0.91 -4.78 121.20 117.08 4otc s ILE 52 Ca 0.16 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.95 4otc s ILE 52 Cb -0.10 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 41.93 4otc s ILE 52 CO 0.07 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.72 4otc n GLY 53 N 5.22 0.83 2.20 6.18 0.00 -1.26 -2.27 105.19 116.09 4otc n GLY 53 Ca -0.06 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.56 4otc n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4otc n GLY 54 N -1.27 0.93 3.57 -0.02 0.00 -1.26 -5.04 105.19 102.10 4otc n GLY 54 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 4otc n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4otc s GLU 55 N -0.27 2.13 0.22 1.61 0.41 -0.96 -5.07 118.70 116.77 4otc s GLU 55 Ca 0.00 -1.02 -0.31 0.00 -0.41 0.00 0.00 54.97 53.23 4otc s GLU 55 Cb 0.00 -2.30 -0.11 0.00 -1.78 0.00 0.00 34.13 29.94 4otc s GLU 55 CO 0.00 0.51 1.61 -0.51 -0.49 0.00 0.00 175.26 176.38 4otc s LEU 56 N -2.14 4.37 0.32 1.80 1.43 -1.26 -0.06 118.68 123.14 4otc s LEU 56 Ca 0.21 2.77 0.05 0.00 -1.03 0.00 0.00 54.13 56.13 4otc s LEU 56 Cb -0.11 -3.61 0.70 0.00 0.03 0.00 0.00 46.19 43.20 4otc s LEU 56 CO 0.13 -0.88 1.85 0.00 0.23 0.00 0.00 176.35 177.68 4otc h ALA 57 N 6.18 1.69 -1.01 4.21 0.00 -0.91 -0.88 119.26 128.54 4otc h ALA 57 Ca -0.44 0.02 0.25 0.00 0.00 0.00 0.00 54.91 54.74 4otc h ALA 57 Cb 1.21 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 4otc h ALA 57 CO 0.89 0.06 0.65 0.66 0.00 0.00 0.00 179.25 181.50 4otc h SER 58 N 0.83 0.51 -0.63 0.00 4.64 -1.80 -2.19 113.55 114.91 4otc h SER 58 Ca 0.48 0.08 -0.40 0.00 -0.47 0.00 0.00 61.79 61.48 4otc h SER 58 Cb 0.62 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.47 4otc h SER 58 CO -0.24 0.12 -0.02 2.29 -0.87 0.00 0.00 176.83 178.11 4otc n LYS 59 N -4.65 2.47 0.00 4.77 2.85 -0.34 -5.20 118.16 118.07 4otc n LYS 59 Ca 0.24 -3.45 0.00 0.00 -1.05 0.00 0.00 58.31 54.06 4otc n LYS 59 Cb 0.80 -2.05 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 4otc n LYS 59 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63