#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 1.36 -0.08 4.25 1.01 -1.26 -1.77 121.20 124.71 4otc s ILE 2 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.05 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 0.31 -0.12 0.00 0.00 0.00 0.00 174.94 175.13 4otc s ALA 3 N 1.55 2.74 -0.16 9.38 0.00 -0.37 -5.01 121.76 129.90 4otc s ALA 3 Ca 0.03 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.07 4otc s ALA 3 Cb -0.14 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 21.89 4otc s ALA 3 CO -0.09 0.47 -0.20 -1.14 0.00 0.00 0.00 175.76 174.80 4otc s GLN 4 N -0.44 2.87 -0.18 0.00 0.74 -1.26 -0.33 119.66 121.07 4otc s GLN 4 Ca 0.06 -0.79 -0.01 0.00 0.05 0.00 0.00 55.36 54.66 4otc s GLN 4 Cb -0.12 -2.42 -0.01 0.00 1.10 0.00 0.00 33.01 31.57 4otc s GLN 4 CO 0.02 -0.13 -0.11 0.42 -0.55 0.00 0.00 175.29 174.94 4otc s ILE 5 N 1.11 2.98 -0.29 -2.34 1.01 0.87 -4.97 121.20 119.57 4otc s ILE 5 Ca -0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 4otc s ILE 5 Cb -0.14 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 4otc s ILE 5 CO -0.08 0.48 0.25 -1.00 0.00 0.00 0.00 174.94 174.60 4otc s HIS 6 N 1.01 3.23 0.05 3.97 3.76 -1.26 -0.17 115.29 125.88 4otc s HIS 6 Ca -0.01 0.15 0.04 0.00 -0.15 0.00 0.00 55.06 55.09 4otc s HIS 6 Cb -0.15 -2.45 -0.03 0.00 1.11 0.00 0.00 32.58 31.06 4otc s HIS 6 CO -0.02 -0.21 -0.11 0.96 -0.85 0.00 0.00 174.74 174.52 4otc s ILE 7 N 1.85 0.80 0.46 0.60 -4.36 -0.59 -4.98 121.20 114.97 4otc s ILE 7 Ca 0.09 -1.16 -0.24 0.00 -0.26 0.00 0.00 60.65 59.08 4otc s ILE 7 Cb -0.16 -0.81 -0.07 0.00 1.25 0.00 0.00 42.46 42.66 4otc s ILE 7 CO 0.11 -0.30 1.24 -0.76 0.24 0.00 0.00 174.94 175.47 4otc s LEU 8 N -1.62 4.04 0.80 0.37 1.43 -1.26 0.00 118.68 122.45 4otc s LEU 8 Ca -0.06 2.50 -0.12 0.00 -1.03 0.00 0.00 54.13 55.42 4otc s LEU 8 Cb -0.10 -4.14 0.08 0.00 0.03 0.00 0.00 46.19 42.06 4otc s LEU 8 CO 0.01 -1.02 1.15 -1.83 0.23 0.00 0.00 176.35 174.89 4otc s GLU 9 N -2.59 1.80 0.00 1.70 -1.05 0.08 -4.46 118.70 114.17 4otc s GLU 9 Ca 0.63 1.53 0.00 0.00 -0.15 0.00 0.00 54.97 56.98 4otc s GLU 9 Cb -0.34 -1.82 0.00 0.00 -0.44 0.00 0.00 34.13 31.54 4otc s GLU 9 CO 0.42 -2.05 0.00 0.41 0.95 0.00 0.00 175.26 174.99 4otc n GLY 10 N -0.07 1.51 3.84 -3.83 0.00 -1.26 -4.94 105.19 100.44 4otc n GLY 10 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 4.03 0.71 1.61 3.00 -1.26 -5.06 118.95 121.99 4otc s ARG 11 Ca 0.00 0.90 -0.11 0.00 0.00 0.00 0.00 55.73 56.52 4otc s ARG 11 Cb 0.00 -2.23 0.02 0.00 0.00 0.00 0.00 34.95 32.74 4otc s ARG 11 CO 0.00 -0.09 1.07 -1.54 0.00 0.00 0.00 175.30 174.74 4otc s SER 12 N -2.64 5.24 0.36 0.23 1.04 -1.26 -4.90 113.70 111.78 4otc s SER 12 Ca 0.58 1.54 0.04 0.00 0.48 0.00 0.00 55.95 58.59 4otc s SER 12 Cb -0.10 -2.40 0.70 0.00 0.10 0.00 0.00 66.02 64.33 4otc s SER 12 CO 0.23 -1.52 2.01 0.44 0.98 0.00 0.00 173.24 175.38 4otc h ASP 13 N -0.77 0.67 -0.31 7.02 5.19 -1.99 -1.78 116.42 124.44 4otc h ASP 13 Ca -0.44 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 55.94 4otc h ASP 13 Cb 1.22 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 4otc h ASP 13 CO 0.58 0.47 0.14 -0.08 -3.12 0.00 0.00 179.24 177.23 4otc h GLU 14 N 0.78 0.44 -0.83 3.56 4.81 -1.99 -0.57 114.58 120.79 4otc h GLU 14 Ca 0.23 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 4otc h GLU 14 Cb -0.04 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 4otc h GLU 14 CO -0.05 0.42 0.44 1.96 -0.73 0.00 0.00 179.01 181.05 4otc h GLN 15 N 0.36 1.17 -0.04 1.92 4.20 -1.77 -1.49 115.11 119.47 4otc h GLN 15 Ca 0.10 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 4otc h GLN 15 Cb 0.13 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 4otc h GLN 15 CO -0.01 0.87 -0.44 0.87 -0.67 0.00 0.00 178.83 179.45 4otc h LYS 16 N 1.17 0.09 -0.36 1.46 1.57 -1.07 -0.37 116.57 119.05 4otc h LYS 16 Ca 0.29 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.87 4otc h LYS 16 Cb 0.05 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 4otc h LYS 16 CO -0.04 0.52 -0.41 0.93 -0.57 0.00 0.00 179.45 179.87 4otc h GLU 17 N 0.07 0.90 -0.30 3.15 5.08 -0.66 -1.78 114.58 121.04 4otc h GLU 17 Ca 0.00 -0.49 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 4otc h GLU 17 Cb 0.82 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 4otc h GLU 17 CO 0.06 1.14 -0.03 1.15 -1.00 0.00 0.00 179.01 180.33 4otc h THR 18 N 0.73 1.27 -0.39 1.13 2.02 -0.97 -1.92 112.91 114.77 4otc h THR 18 Ca 0.05 -1.00 0.07 0.00 0.77 0.00 0.00 66.41 66.30 4otc h THR 18 Cb 1.00 1.32 -0.06 0.00 -1.74 0.00 0.00 68.15 68.67 4otc h THR 18 CO 0.10 0.32 0.01 0.25 0.37 0.00 0.00 175.52 176.57 4otc h LEU 19 N 0.33 -0.14 -0.97 2.58 5.85 -0.92 0.18 115.31 122.22 4otc h LEU 19 Ca 0.08 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 4otc h LEU 19 Cb 0.48 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 4otc h LEU 19 CO 0.02 -0.03 0.60 0.40 -0.34 0.00 0.00 178.44 179.09 4otc h ILE 20 N 0.12 1.26 0.14 4.05 2.04 -1.18 -0.63 117.51 123.30 4otc h ILE 20 Ca 0.19 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 4otc h ILE 20 Cb 0.27 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 4otc h ILE 20 CO -0.31 0.27 -0.07 -0.09 0.00 0.00 0.00 178.15 177.95 4otc h ARG 21 N 1.33 -0.18 -0.52 2.37 2.43 -0.33 -2.44 114.38 117.04 4otc h ARG 21 Ca 0.35 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.56 4otc h ARG 21 Cb -0.09 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 4otc h ARG 21 CO -0.07 0.24 0.31 0.93 -1.51 0.00 0.00 179.97 179.87 4otc h GLU 22 N -0.67 0.60 -0.75 0.20 4.39 -0.62 -1.86 114.58 115.86 4otc h GLU 22 Ca -0.02 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 4otc h GLU 22 Cb 0.50 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 4otc h GLU 22 CO 0.03 0.39 0.41 0.28 -1.16 0.00 0.00 179.01 178.97 4otc h VAL 23 N 0.61 1.23 -0.80 3.13 2.07 -1.19 -0.25 116.25 121.05 4otc h VAL 23 Ca 0.21 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 4otc h VAL 23 Cb 0.03 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 4otc h VAL 23 CO -0.10 0.25 0.37 0.28 0.02 0.00 0.00 177.57 178.39 4otc h SER 24 N 1.04 1.06 -0.29 0.57 0.02 -1.10 -1.09 113.55 113.76 4otc h SER 24 Ca 0.26 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 4otc h SER 24 Cb 0.04 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 4otc h SER 24 CO -0.04 0.91 -0.12 -0.33 -1.14 0.00 0.00 176.83 176.11 4otc h GLU 25 N 1.14 0.60 -0.88 3.45 5.08 -0.95 -1.16 114.58 121.86 4otc h GLU 25 Ca 0.27 -0.25 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 4otc h GLU 25 Cb 0.15 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 4otc h GLU 25 CO -0.03 0.82 0.58 0.00 -1.00 0.00 0.00 179.01 179.38 4otc h ALA 26 N 0.76 1.43 -0.11 3.43 0.00 -0.75 0.86 119.26 124.89 4otc h ALA 26 Ca 0.07 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 4otc h ALA 26 Cb 0.63 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.10 4otc h ALA 26 CO 0.04 0.49 -0.38 0.82 0.00 0.00 0.00 179.25 180.22 4otc h ILE 27 N 1.12 1.38 -0.21 0.00 2.04 -1.04 -1.14 117.51 119.65 4otc h ILE 27 Ca 0.34 -1.70 -0.00 0.00 1.00 0.00 0.00 64.86 64.50 4otc h ILE 27 Cb -0.01 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 4otc h ILE 27 CO -0.10 0.50 0.13 -1.28 0.00 0.00 0.00 178.15 177.41 4otc h SER 28 N 0.03 0.25 -0.57 1.72 0.87 -0.93 -2.30 113.55 112.61 4otc h SER 28 Ca -0.02 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.40 4otc h SER 28 Cb 1.01 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 4otc h SER 28 CO 0.08 0.22 -0.04 -0.09 -0.53 0.00 0.00 176.83 176.47 4otc h ARG 29 N 0.26 1.03 -0.73 2.24 2.43 -0.89 -0.12 114.38 118.60 4otc h ARG 29 Ca 0.08 -0.35 -0.04 0.00 -0.81 0.00 0.00 59.98 58.85 4otc h ARG 29 Cb 0.01 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 4otc h ARG 29 CO -0.01 1.04 0.28 0.77 -1.51 0.00 0.00 179.97 180.54 4otc h SER 30 N 0.92 1.01 -0.17 -3.80 0.02 -1.02 -3.19 113.55 107.32 4otc h SER 30 Ca 0.16 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 4otc h SER 30 Cb 0.60 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.88 4otc h SER 30 CO 0.04 0.90 0.00 0.18 -1.14 0.00 0.00 176.83 176.81 4otc n LEU 31 N -4.28 2.54 -3.68 5.07 4.77 -0.88 -4.98 117.00 115.56 4otc n LEU 31 Ca 0.06 -1.35 -0.23 0.00 -0.03 0.00 0.00 56.01 54.47 4otc n LEU 31 Cb 0.19 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 4otc n LEU 31 CO 0.40 0.54 0.06 0.47 -1.33 0.00 0.00 177.39 177.53 4otc n ASP 32 N 0.81 -2.99 -4.63 -1.43 8.00 -0.16 -4.98 116.55 111.17 4otc n ASP 32 Ca 0.11 -0.72 -0.31 0.00 0.71 0.00 0.00 54.79 54.57 4otc n ASP 32 Cb 0.40 -4.40 -0.09 0.00 -0.02 0.00 0.00 41.12 37.01 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 -3.47 3.13 0.23 2.24 0.00 -0.60 -5.05 121.76 118.24 4otc s ALA 33 Ca 0.24 -1.10 -0.31 0.00 0.00 0.00 0.00 51.96 50.79 4otc s ALA 33 Cb -0.12 -1.12 -0.11 0.00 0.00 0.00 0.00 23.12 21.77 4otc s ALA 33 CO 0.79 0.65 1.66 -2.14 0.00 0.00 0.00 175.76 176.72 4otc s PRO 34 N -1.93 4.14 0.36 0.00 0.02 -1.26 -4.61 135.00 131.72 4otc s PRO 34 Ca 0.21 2.57 0.11 0.00 0.02 0.00 0.00 61.00 63.91 4otc s PRO 34 Cb -0.11 -3.07 0.90 0.00 0.02 0.00 0.00 34.50 32.23 4otc s PRO 34 CO 0.13 -0.69 1.82 1.25 -0.33 0.00 0.00 177.00 179.18 4otc h LEU 35 N 6.20 0.61 -0.66 -5.54 5.85 -1.93 0.16 115.31 120.00 4otc h LEU 35 Ca -0.44 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.34 4otc h LEU 35 Cb 1.21 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.19 4otc h LEU 35 CO 0.90 0.24 0.00 0.35 -0.34 0.00 0.00 178.44 179.59 4otc n THR 36 N -4.62 1.01 1.16 1.05 -2.24 -1.26 -1.35 114.28 108.02 4otc n THR 36 Ca 0.21 0.36 0.13 0.00 -2.27 0.00 0.00 64.05 62.48 4otc n THR 36 Cb 0.62 -1.28 0.40 0.00 -2.10 0.00 0.00 70.33 67.97 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 -2.04 0.61 -4.68 3.42 3.41 0.57 -4.84 113.62 110.07 4otc n SER 37 Ca 0.01 -0.44 -0.40 0.00 -0.26 0.00 0.00 58.87 57.78 4otc n SER 37 Cb 0.16 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.73 5.03 -0.08 -3.33 1.01 -0.46 -2.10 120.40 117.74 4otc s VAL 38 Ca 0.19 1.27 0.04 0.00 0.00 0.00 0.00 61.98 63.48 4otc s VAL 38 Cb 0.19 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.59 4otc s VAL 38 CO 0.58 0.15 -0.20 -0.13 0.00 0.00 0.00 175.10 175.50 4otc s ARG 39 N 1.58 2.44 -0.07 2.72 0.52 -0.73 -4.99 118.95 120.43 4otc s ARG 39 Ca 0.31 -0.71 0.04 0.00 -0.52 0.00 0.00 55.73 54.86 4otc s ARG 39 Cb -0.16 -1.93 -0.00 0.00 0.52 0.00 0.00 34.95 33.38 4otc s ARG 39 CO 0.12 0.17 -0.20 0.08 0.02 0.00 0.00 175.30 175.48 4otc s VAL 40 N 0.34 1.73 -0.12 3.52 1.01 -1.26 -1.24 120.40 124.39 4otc s VAL 40 Ca -0.14 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.01 4otc s VAL 40 Cb -0.16 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.73 4otc s VAL 40 CO 0.06 0.49 -0.23 -0.63 0.00 0.00 0.00 175.10 174.79 4otc s ILE 41 N 0.19 2.03 -0.19 2.22 1.01 0.55 -4.99 121.20 122.01 4otc s ILE 41 Ca -0.10 -0.98 -0.06 0.00 0.00 0.00 0.00 60.65 59.51 4otc s ILE 41 Cb -0.15 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 4otc s ILE 41 CO 0.05 0.55 0.02 -0.63 0.00 0.00 0.00 174.94 174.93 4otc s ILE 42 N 0.57 4.28 -0.21 2.92 1.01 -1.26 -0.09 121.20 128.41 4otc s ILE 42 Ca -0.13 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.32 4otc s ILE 42 Cb -0.17 -2.93 0.03 0.00 0.01 0.00 0.00 42.46 39.40 4otc s ILE 42 CO 0.04 0.44 -0.15 -0.89 0.00 0.00 0.00 174.94 174.37 4otc s THR 43 N 0.75 2.21 0.19 2.92 2.01 0.76 -4.94 115.64 119.53 4otc s THR 43 Ca 0.01 -1.16 -0.22 0.00 0.31 0.00 0.00 61.69 60.64 4otc s THR 43 Cb -0.14 -2.07 -0.08 0.00 0.01 0.00 0.00 72.50 70.22 4otc s THR 43 CO 0.02 0.32 0.73 -1.61 -0.69 0.00 0.00 174.62 173.39 4otc s GLU 44 N 1.24 4.36 -0.09 4.92 2.02 -1.26 -1.54 118.70 128.35 4otc s GLU 44 Ca 0.00 0.96 0.01 0.00 0.02 0.00 0.00 54.97 55.96 4otc s GLU 44 Cb -0.16 -3.05 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 4otc s GLU 44 CO -0.09 0.48 -0.11 -1.64 0.02 0.00 0.00 175.26 173.91 4otc s MET 45 N -1.59 2.96 0.51 1.61 -1.94 0.10 -4.86 119.30 116.09 4otc s MET 45 Ca 0.39 -0.65 -0.21 0.00 -1.71 0.00 0.00 55.69 53.51 4otc s MET 45 Cb -0.19 -2.56 -0.06 0.00 2.01 0.00 0.00 34.83 34.03 4otc s MET 45 CO 0.23 0.46 1.16 0.00 -0.01 0.00 0.00 175.02 176.85 4otc s ALA 46 N -0.27 2.81 0.58 3.03 0.00 -1.26 -0.74 121.76 125.90 4otc s ALA 46 Ca 0.02 0.91 0.28 0.00 0.00 0.00 0.00 51.96 53.17 4otc s ALA 46 Cb -0.13 -3.39 1.56 0.00 0.00 0.00 0.00 23.12 21.17 4otc s ALA 46 CO 0.03 -0.78 2.03 0.87 0.00 0.00 0.00 175.76 177.91 4otc h LYS 47 N 1.55 0.00 -0.29 0.00 1.57 -1.96 0.94 116.57 118.38 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 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 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 -1.47 0.61 0.36 3.86 0.00 -1.26 -3.96 105.19 103.34 4otc n GLY 48 Ca 0.05 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 0.53 0.20 -4.04 1.61 8.25 0.32 -4.95 115.22 117.14 4otc n HIS 49 Ca 0.15 -0.33 -0.30 0.00 -0.26 0.00 0.00 57.72 56.97 4otc n HIS 49 Cb 0.34 -0.02 -0.16 0.00 1.12 0.00 0.00 29.99 31.26 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 2.20 0.04 4.41 5.36 -1.24 -4.90 117.98 122.99 4otc s PHE 50 Ca 0.13 -1.24 0.07 0.00 -0.96 0.00 0.00 56.93 54.92 4otc s PHE 50 Cb 0.07 -1.61 -0.03 0.00 -0.34 0.00 0.00 43.02 41.10 4otc s PHE 50 CO 0.10 -0.67 -0.17 0.20 -1.46 0.00 0.00 175.22 173.21 4otc s GLY 51 N 1.46 1.59 -0.10 13.12 0.00 -1.26 -0.06 107.32 122.07 4otc s GLY 51 Ca 0.05 -1.17 -0.02 0.00 0.00 0.00 0.00 44.72 43.57 4otc s GLY 51 CO -0.11 -1.06 0.02 -0.42 0.00 0.00 0.00 173.10 171.53 4otc s ILE 52 N -0.93 0.35 -1.32 0.90 1.01 0.62 -4.77 121.20 117.06 4otc s ILE 52 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.78 4otc s ILE 52 Cb -0.11 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.75 4otc s ILE 52 CO 0.06 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.73 4otc n GLY 53 N 5.15 0.66 2.12 6.18 0.00 -1.26 -2.12 105.19 115.92 4otc n GLY 53 Ca -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.17 0.82 3.50 -0.02 0.00 -1.26 -5.04 105.19 102.03 4otc n GLY 54 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.24 2.05 0.20 1.61 0.41 -0.90 -5.07 118.70 116.77 4otc s GLU 55 Ca 0.00 -1.02 -0.32 0.00 -0.41 0.00 0.00 54.97 53.22 4otc s GLU 55 Cb 0.00 -2.22 -0.12 0.00 -1.78 0.00 0.00 34.13 30.01 4otc s GLU 55 CO 0.00 0.52 1.70 -0.51 -0.49 0.00 0.00 175.26 176.48 4otc s LEU 56 N -1.78 4.37 0.36 1.80 1.43 -1.26 -0.28 118.68 123.32 4otc s LEU 56 Ca 0.17 2.83 0.12 0.00 -1.03 0.00 0.00 54.13 56.23 4otc s LEU 56 Cb -0.11 -3.60 0.93 0.00 0.03 0.00 0.00 46.19 43.45 4otc s LEU 56 CO 0.08 -0.95 1.79 0.00 0.23 0.00 0.00 176.35 177.51 4otc h ALA 57 N 6.76 1.97 -0.98 4.21 0.00 -0.69 -0.43 119.26 130.09 4otc h ALA 57 Ca -0.43 0.06 0.19 0.00 0.00 0.00 0.00 54.91 54.73 4otc h ALA 57 Cb 1.20 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 4otc h ALA 57 CO 0.95 -0.33 0.61 0.66 0.00 0.00 0.00 179.25 181.14 4otc h SER 58 N 0.57 0.69 -0.75 0.00 4.64 -1.80 -2.25 113.55 114.65 4otc h SER 58 Ca 0.56 0.08 -0.51 0.00 -0.47 0.00 0.00 61.79 61.45 4otc h SER 58 Cb 1.14 -0.04 -0.30 0.00 -0.31 0.00 0.00 62.40 62.89 4otc h SER 58 CO -0.31 0.25 -0.02 2.29 -0.87 0.00 0.00 176.83 178.17 4otc n LYS 59 N -4.69 2.84 0.00 4.77 2.85 -0.17 -5.19 118.16 118.57 4otc n LYS 59 Ca 0.22 -3.60 0.00 0.00 -1.05 0.00 0.00 58.31 53.88 4otc n LYS 59 Cb 0.61 -2.17 0.00 0.00 -0.65 0.00 0.00 35.03 32.81 4otc n LYS 59 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63