#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nln n ILE 2 N 0.00 0.00 0.38 2.46 3.06 -1.26 -4.78 119.36 119.22 2nln n ILE 2 Ca 0.00 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.29 2nln n ILE 2 Cb 0.00 0.00 0.20 0.00 0.54 0.00 0.00 39.64 40.38 2nln n ILE 2 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2nln n THR 3 N 0.00 0.84 -0.16 9.51 -2.24 -1.26 -3.36 114.28 117.60 2nln n THR 3 Ca 0.00 0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.91 2nln n THR 3 Cb 0.00 -1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 67.13 2nln n THR 3 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2nln h ASP 4 N 0.00 -1.27 -2.60 3.42 3.58 -1.93 -3.35 116.42 114.27 2nln h ASP 4 Ca 0.00 0.22 -0.50 0.00 0.42 0.00 0.00 57.03 57.17 2nln h ASP 4 Cb 0.08 0.59 -0.38 0.00 1.72 0.00 0.00 39.33 41.33 2nln h ASP 4 CO 0.00 -0.33 -0.77 -0.63 -2.88 0.00 0.00 179.24 174.63 2nln s ILE 5 N -5.93 -0.09 0.07 2.25 1.01 -1.21 -5.12 121.20 112.17 2nln s ILE 5 Ca -0.15 -0.93 -0.27 0.00 0.00 0.00 0.00 60.65 59.30 2nln s ILE 5 Cb 0.14 -0.99 0.09 0.00 0.01 0.00 0.00 42.46 41.70 2nln s ILE 5 CO 0.67 -0.74 1.01 -0.22 0.00 0.00 0.00 174.94 175.67 2nln s LEU 6 N 1.88 -0.20 -1.56 2.97 2.96 -1.26 -4.93 118.68 118.55 2nln s LEU 6 Ca 0.11 -0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 53.67 2nln s LEU 6 Cb -0.17 1.96 -0.04 0.00 0.50 0.00 0.00 46.19 48.44 2nln s LEU 6 CO -0.26 -0.70 2.70 -1.20 -1.32 0.00 0.00 176.35 175.56 2nln n SER 7 N -0.40 7.17 -0.21 3.68 7.64 -1.26 -4.75 113.62 125.49 2nln n SER 7 Ca -0.07 -2.69 0.28 0.00 1.01 0.00 0.00 58.87 57.41 2nln n SER 7 Cb 0.61 -1.58 0.44 0.00 -1.01 0.00 0.00 64.21 62.67 2nln n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nln h ALA 8 N 5.31 2.96 -0.08 -0.43 0.00 -1.92 1.21 119.26 126.31 2nln h ALA 8 Ca 0.77 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.63 2nln h ALA 8 Cb 0.40 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2nln h ALA 8 CO 1.81 -1.73 0.00 0.93 0.00 0.00 0.00 179.25 180.25 2nln h GLU 9 N 0.00 0.14 0.00 0.00 4.39 -1.98 -2.74 114.58 114.39 2nln h GLU 9 Ca 0.49 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.14 2nln h GLU 9 Cb 2.89 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 31.53 2nln h GLU 9 CO -0.01 0.39 0.00 -0.25 -1.16 0.00 0.00 179.01 177.99 2nln n ASP 10 N -4.85 0.15 -0.07 1.42 9.92 0.40 -3.48 116.55 120.05 2nln n ASP 10 Ca -0.06 0.52 -0.14 0.00 -0.53 0.00 0.00 54.79 54.58 2nln n ASP 10 Cb 0.19 -0.56 -0.06 0.00 -0.64 0.00 0.00 41.12 40.05 2nln n ASP 10 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2nln h ILE 11 N 0.00 1.32 0.05 0.53 1.08 -0.83 1.48 117.51 121.14 2nln h ILE 11 Ca 0.00 -1.53 0.00 0.00 -0.39 0.00 0.00 64.86 62.94 2nln h ILE 11 Cb 0.46 1.78 -0.00 0.00 -3.07 0.00 0.00 36.82 35.99 2nln h ILE 11 CO 0.00 0.48 -0.04 0.00 -0.69 0.00 0.00 178.15 177.90 2nln h ALA 12 N 0.63 -0.08 0.27 1.87 0.00 -1.58 1.36 119.26 121.73 2nln h ALA 12 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2nln h ALA 12 Cb 0.91 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2nln h ALA 12 CO 0.08 -0.55 -0.13 0.00 0.00 0.00 0.00 179.25 178.65 2nln h ALA 13 N 0.86 -0.36 -1.00 0.00 0.00 -1.67 1.28 119.26 118.36 2nln h ALA 13 Ca 0.00 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 54.96 2nln h ALA 13 Cb 0.09 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 17.90 2nln h ALA 13 CO -0.01 -0.54 0.60 0.00 0.00 0.00 0.00 179.25 179.30 2nln h ALA 14 N -0.07 1.76 0.16 0.00 0.00 0.22 1.66 119.26 122.99 2nln h ALA 14 Ca -0.04 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2nln h ALA 14 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2nln h ALA 14 CO 0.06 -0.20 -0.08 1.25 0.00 0.00 0.00 179.25 180.28 2nln h LEU 15 N 0.64 -0.18 0.00 0.00 6.46 0.20 -3.35 115.31 119.08 2nln h LEU 15 Ca 0.63 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.39 2nln h LEU 15 Cb 1.13 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 2nln h LEU 15 CO -0.45 0.23 0.00 0.00 -0.62 0.00 0.00 178.44 177.60 2nln n GLN 16 N -4.58 0.22 0.00 1.25 1.13 0.44 -3.04 117.38 112.80 2nln n GLN 16 Ca -0.03 0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 2nln n GLN 16 Cb 0.08 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.93 2nln n GLN 16 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2nln n GLU 17 N -1.25 0.00 -0.12 -1.09 2.13 0.56 -4.44 120.64 116.43 2nln n GLU 17 Ca 0.07 0.27 0.08 0.00 0.66 0.00 0.00 57.16 58.23 2nln n GLU 17 Cb 0.10 -1.07 0.14 0.00 0.27 0.00 0.00 31.44 30.88 2nln n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nln n GLN 19 N 0.90 0.43 0.00 0.00 7.27 -1.17 -4.66 117.38 120.15 2nln n GLN 19 Ca 0.13 0.15 0.00 0.00 0.07 0.00 0.00 57.00 57.35 2nln n GLN 19 Cb 0.44 -1.28 0.00 0.00 2.41 0.00 0.00 30.24 31.81 2nln n GLN 19 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2nln n ASP 20 N 1.73 0.00 -2.74 1.69 8.00 -1.26 -5.00 116.55 118.98 2nln n ASP 20 Ca 0.14 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.35 2nln n ASP 20 Cb 0.30 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 2nln n ASP 20 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2nln n PRO 21 N -0.35 3.02 0.00 -0.24 -0.04 -1.26 -4.06 135.00 132.07 2nln n PRO 21 Ca 0.00 -2.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.00 2nln n PRO 21 Cb 0.00 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 2nln n PRO 21 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2nln n ASP 22 N 1.48 0.00 -0.11 3.54 -0.08 -1.26 -3.61 116.55 116.51 2nln n ASP 22 Ca 0.53 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.63 2nln n ASP 22 Cb 0.50 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.84 2nln n ASP 22 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2nln n THR 23 N 0.00 1.53 0.00 5.18 5.66 -1.26 -4.69 114.28 120.71 2nln n THR 23 Ca 0.00 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.41 2nln n THR 23 Cb 0.00 -1.44 0.00 0.00 -1.55 0.00 0.00 70.33 67.34 2nln n THR 23 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2nln n PHE 24 N -3.28 0.00 0.03 1.09 3.72 -1.26 -4.98 117.46 112.79 2nln n PHE 24 Ca -0.43 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 56.77 2nln n PHE 24 Cb 1.00 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.43 2nln n PHE 24 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2nln h GLU 25 N 0.00 0.54 0.00 -1.08 4.81 -1.89 -3.35 114.58 113.60 2nln h GLU 25 Ca 0.00 -0.61 -0.02 0.00 -0.13 0.00 0.00 59.36 58.60 2nln h GLU 25 Cb 0.00 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2nln h GLU 25 CO 0.00 1.23 -0.75 -0.35 -0.73 0.00 0.00 179.01 178.41 2nln n PRO 26 N -4.03 0.48 -0.18 0.92 -0.04 -1.26 -3.84 135.00 127.05 2nln n PRO 26 Ca -0.11 0.43 -0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2nln n PRO 26 Cb 0.79 -1.61 0.08 0.00 -0.04 0.00 0.00 33.50 32.73 2nln n PRO 26 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2nln h GLN 27 N -1.00 0.13 -0.35 0.54 4.15 -1.85 -0.38 115.11 116.35 2nln h GLN 27 Ca -0.03 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.21 2nln h GLN 27 Cb 0.72 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 2nln h GLN 27 CO -0.02 0.09 -0.45 -0.22 -1.93 0.00 0.00 178.83 176.30 2nln h LYS 28 N 0.14 0.92 -0.61 1.69 3.64 -1.82 -2.24 116.57 118.29 2nln h LYS 28 Ca 0.29 -0.52 0.10 0.00 -1.27 0.00 0.00 60.65 59.25 2nln h LYS 28 Cb 0.45 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.23 2nln h LYS 28 CO -0.47 1.17 0.20 0.35 -2.27 0.00 0.00 179.45 178.44 2nln h PHE 29 N 0.74 0.34 0.46 1.91 3.04 -1.41 0.14 116.94 122.16 2nln h PHE 29 Ca 0.04 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 2nln h PHE 29 Cb 1.05 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.50 2nln h PHE 29 CO 0.07 0.06 -0.22 0.74 -2.02 0.00 0.00 178.31 176.93 2nln h PHE 30 N 0.36 -0.57 0.47 0.41 0.04 -0.98 -3.15 116.94 113.52 2nln h PHE 30 Ca 0.31 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.05 2nln h PHE 30 Cb 0.42 0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 2nln h PHE 30 CO -0.19 -0.26 -0.35 0.37 -0.60 0.00 0.00 178.31 177.28 2nln h GLN 31 N -0.88 -0.76 -0.41 1.51 5.75 -1.06 1.75 115.11 121.01 2nln h GLN 31 Ca -0.06 0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 2nln h GLN 31 Cb 0.57 0.17 -0.07 0.00 1.07 0.00 0.00 27.48 29.23 2nln h GLN 31 CO 0.10 -0.50 -0.45 1.15 -2.65 0.00 0.00 178.83 176.48 2nln h THR 32 N -0.79 0.00 0.00 2.39 2.02 -0.86 -1.68 112.91 113.99 2nln h THR 32 Ca -0.06 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 2nln h THR 32 Cb 0.65 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2nln h THR 32 CO 0.02 0.00 -0.37 -1.28 0.37 0.00 0.00 175.52 174.26 2nln h SER 33 N -0.26 0.00 0.00 4.18 0.87 -1.56 -3.44 113.55 113.34 2nln h SER 33 Ca 0.07 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2nln h SER 33 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2nln h SER 33 CO -0.53 0.97 -0.24 0.61 -0.53 0.00 0.00 176.83 177.12 2nln n GLY 34 N 1.61 -0.51 0.46 5.77 0.00 0.38 -4.05 105.19 108.84 2nln n GLY 34 Ca -0.13 -0.08 0.28 0.00 0.00 0.00 0.00 46.02 46.10 2nln n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nln h LEU 35 N -0.25 0.27 -0.54 0.99 3.38 0.20 -2.96 115.31 116.39 2nln h LEU 35 Ca 0.00 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.15 2nln h LEU 35 Cb 0.24 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 2nln h LEU 35 CO 0.00 0.03 -0.10 -1.54 0.09 0.00 0.00 178.44 176.92 2nln n SER 36 N -4.47 -0.16 -2.92 -0.43 3.41 -0.63 -3.01 113.62 105.41 2nln n SER 36 Ca 0.26 0.93 -0.13 0.00 -0.26 0.00 0.00 58.87 59.68 2nln n SER 36 Cb 1.05 -0.30 0.03 0.00 -0.26 0.00 0.00 64.21 64.74 2nln n SER 36 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2nln n LYS 37 N -4.83 1.03 -4.45 4.33 5.02 -1.12 -5.13 118.16 113.01 2nln n LYS 37 Ca 0.10 -2.71 -0.25 0.00 -2.02 0.00 0.00 58.31 53.43 2nln n LYS 37 Cb 0.31 -1.25 -0.10 0.00 -0.02 0.00 0.00 35.03 33.96 2nln n LYS 37 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2nln s MET 38 N -1.33 1.66 0.83 1.97 -1.94 -1.16 -5.14 119.30 114.18 2nln s MET 38 Ca 0.30 -1.69 -0.11 0.00 -1.71 0.00 0.00 55.69 52.48 2nln s MET 38 Cb 0.35 -1.81 0.09 0.00 2.01 0.00 0.00 34.83 35.47 2nln s MET 38 CO -0.06 0.35 1.09 -1.12 -0.01 0.00 0.00 175.02 175.28 2nln s SER 39 N -3.30 4.18 0.16 3.03 0.01 -1.26 -4.98 113.70 111.53 2nln s SER 39 Ca 0.28 1.39 -0.13 0.00 1.31 0.00 0.00 55.95 58.80 2nln s SER 39 Cb -0.06 -2.11 0.04 0.00 0.21 0.00 0.00 66.02 64.10 2nln s SER 39 CO 0.14 -2.18 1.66 0.00 0.41 0.00 0.00 173.24 173.27 2nln h ALA 40 N -1.23 0.69 -0.10 1.44 0.00 -1.99 -3.28 119.26 114.79 2nln h ALA 40 Ca -0.48 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.25 2nln h ALA 40 Cb 1.27 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2nln h ALA 40 CO 0.57 0.39 -0.54 0.77 0.00 0.00 0.00 179.25 180.44 2nln h SER 41 N 0.73 -1.71 -0.08 0.00 0.02 -2.02 -0.40 113.55 110.10 2nln h SER 41 Ca 0.16 0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.34 2nln h SER 41 Cb 0.34 0.66 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 2nln h SER 41 CO 0.00 -0.50 0.09 0.06 -1.14 0.00 0.00 176.83 175.35 2nln h GLN 42 N -0.61 0.00 -0.41 3.45 3.07 -1.95 0.13 115.11 118.80 2nln h GLN 42 Ca 0.03 0.00 0.08 0.00 0.09 0.00 0.00 58.65 58.85 2nln h GLN 42 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.23 2nln h GLN 42 CO -0.42 0.00 0.28 0.28 0.09 0.00 0.00 178.83 179.06 2nln h VAL 43 N 0.00 0.88 -0.55 1.86 2.07 -1.12 0.45 116.25 119.84 2nln h VAL 43 Ca 0.04 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2nln h VAL 43 Cb 0.22 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2nln h VAL 43 CO -0.00 0.03 0.27 0.11 0.02 0.00 0.00 177.57 178.00 2nln h LYS 44 N 0.18 0.50 -0.25 1.57 1.57 -0.69 0.67 116.57 120.12 2nln h LYS 44 Ca 0.19 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 2nln h LYS 44 Cb 0.51 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2nln h LYS 44 CO -0.03 0.33 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.66 2nln h ASP 45 N 0.52 0.50 -0.19 0.86 5.19 -0.37 -3.10 116.42 119.82 2nln h ASP 45 Ca 0.25 -0.38 0.05 0.00 -0.62 0.00 0.00 57.03 56.33 2nln h ASP 45 Cb 0.18 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 39.50 2nln h ASP 45 CO -0.18 0.77 -0.16 0.40 -3.12 0.00 0.00 179.24 176.94 2nln h ILE 46 N 0.23 0.56 -1.30 0.35 5.03 0.10 -0.51 117.51 121.97 2nln h ILE 46 Ca 0.06 0.00 0.46 0.00 -0.12 0.00 0.00 64.86 65.26 2nln h ILE 46 Cb 0.56 0.56 -0.14 0.00 -3.03 0.00 0.00 36.82 34.77 2nln h ILE 46 CO 0.03 0.00 0.82 0.33 -0.68 0.00 0.00 178.15 178.65 2nln n PHE 47 N -5.31 0.72 0.29 1.37 7.35 0.23 0.15 117.46 122.25 2nln n PHE 47 Ca -0.02 0.73 0.14 0.00 -0.76 0.00 0.00 57.45 57.54 2nln n PHE 47 Cb 0.23 -1.16 0.85 0.00 0.35 0.00 0.00 39.48 39.75 2nln n PHE 47 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2nln h ARG 48 N 0.00 0.00 -0.00 -4.13 2.47 -1.09 -2.96 114.38 108.66 2nln h ARG 48 Ca 0.85 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 59.60 2nln h ARG 48 Cb 2.69 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 30.95 2nln h ARG 48 CO -0.48 0.04 -0.43 0.35 0.56 0.00 0.00 179.97 180.01 2nln h PHE 49 N 0.00 -1.22 0.00 3.04 3.04 0.13 -3.39 116.94 118.53 2nln h PHE 49 Ca -0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 2nln h PHE 49 Cb 0.09 0.54 0.00 0.00 2.56 0.00 0.00 35.95 39.14 2nln h PHE 49 CO 0.00 -0.50 0.00 0.44 -2.02 0.00 0.00 178.31 176.23 2nln n ILE 50 N -5.45 0.00 -2.46 1.41 -5.35 -1.12 -4.88 119.36 101.51 2nln n ILE 50 Ca -0.06 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.08 2nln n ILE 50 Cb 0.37 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.25 2nln n ILE 50 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2nln s ASP 51 N -1.73 6.22 -0.25 7.28 1.01 -1.26 -4.76 116.67 123.17 2nln s ASP 51 Ca 0.00 2.02 -0.03 0.00 0.71 0.00 0.00 52.55 55.25 2nln s ASP 51 Cb 0.00 -2.57 -0.16 0.00 1.01 0.00 0.00 42.92 41.20 2nln s ASP 51 CO 0.00 -0.87 -0.21 -3.20 0.21 0.00 0.00 175.17 171.10 2nln n ASN 52 N -0.95 1.98 -3.63 0.27 5.15 -1.26 -4.48 115.26 112.35 2nln n ASN 52 Ca 0.09 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.96 2nln n ASN 52 Cb 0.52 -0.54 -0.07 0.00 -0.53 0.00 0.00 39.78 39.15 2nln n ASN 52 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2nln s ASP 53 N -6.79 -0.57 0.36 1.20 2.15 -1.26 -4.99 116.67 106.76 2nln s ASP 53 Ca -0.35 1.06 0.00 0.00 0.43 0.00 0.00 52.55 53.69 2nln s ASP 53 Cb 0.10 1.06 0.00 0.00 -0.30 0.00 0.00 42.92 43.78 2nln s ASP 53 CO 0.59 -0.22 0.00 0.00 -0.17 0.00 0.00 175.17 175.36 2nln n GLN 54 N 2.26 0.00 -2.73 4.34 6.02 -1.26 -5.01 117.38 120.99 2nln n GLN 54 Ca -0.13 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.82 2nln n GLN 54 Cb 0.56 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.90 2nln n GLN 54 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2nln n SER 55 N -3.37 0.01 0.00 1.08 3.41 -1.26 -4.96 113.62 108.54 2nln n SER 55 Ca 0.00 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 2nln n SER 55 Cb 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2nln n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nln n GLY 56 N -0.78 3.18 3.70 5.00 0.00 -1.26 -4.95 105.19 110.08 2nln n GLY 56 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2nln n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2nln s TYR 57 N -2.22 -0.28 0.08 1.61 -0.85 -1.26 -5.02 117.35 109.41 2nln s TYR 57 Ca 0.00 -0.07 0.01 0.00 -0.52 0.00 0.00 57.07 56.50 2nln s TYR 57 Cb 0.00 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 42.95 2nln s TYR 57 CO 0.00 -1.02 0.17 -0.51 -1.52 0.00 0.00 175.55 172.68 2nln s LEU 58 N -2.85 4.17 0.05 -3.49 1.43 -1.13 -4.56 118.68 112.30 2nln s LEU 58 Ca 0.08 0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 53.26 2nln s LEU 58 Cb -0.04 -2.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.39 2nln s LEU 58 CO -0.00 0.16 0.16 -0.62 0.23 0.00 0.00 176.35 176.28 2nln s ASP 59 N -2.55 0.11 0.57 2.29 -1.08 -1.26 0.12 116.67 114.86 2nln s ASP 59 Ca 0.33 -0.52 0.40 0.00 -0.52 0.00 0.00 52.55 52.25 2nln s ASP 59 Cb -0.12 0.29 1.50 0.00 -1.46 0.00 0.00 42.92 43.12 2nln s ASP 59 CO 0.26 -0.60 1.60 1.23 0.52 0.00 0.00 175.17 178.18 2nln h GLY 60 N 3.27 0.00 0.37 2.66 0.00 -1.95 0.72 103.07 108.14 2nln h GLY 60 Ca -0.33 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2nln h GLY 60 CO 0.52 0.00 -0.02 -0.55 0.00 0.00 0.00 176.54 176.49 2nln h ASP 61 N 0.00 -0.05 0.92 0.19 3.32 -1.95 -3.32 116.42 115.53 2nln h ASP 61 Ca 0.69 -0.55 -0.17 0.00 0.02 0.00 0.00 57.03 57.02 2nln h ASP 61 Cb 3.01 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 42.54 2nln h ASP 61 CO -0.01 0.56 -0.79 -0.33 -1.72 0.00 0.00 179.24 176.95 2nln h GLU 62 N -0.69 0.00 -0.91 3.56 4.39 -0.43 -3.34 114.58 117.15 2nln h GLU 62 Ca -0.01 0.00 0.38 0.00 0.34 0.00 0.00 59.36 60.07 2nln h GLU 62 Cb 0.60 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.09 2nln h GLU 62 CO 0.01 0.79 0.48 1.28 -1.16 0.00 0.00 179.01 180.41 2nln n LEU 63 N -3.49 0.31 0.29 1.33 4.77 0.20 0.13 117.00 120.55 2nln n LEU 63 Ca -0.00 1.52 0.15 0.00 -0.03 0.00 0.00 56.01 57.65 2nln n LEU 63 Cb 0.79 -0.73 0.90 0.00 -2.33 0.00 0.00 43.42 42.04 2nln n LEU 63 CO 0.44 -1.69 1.08 0.11 -1.33 0.00 0.00 177.39 176.00 2nln h LYS 64 N 0.00 0.00 0.00 3.23 1.57 -1.77 -1.85 116.57 117.74 2nln h LYS 64 Ca 0.77 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.55 2nln h LYS 64 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.34 2nln h LYS 64 CO -0.71 0.04 0.00 0.66 -0.57 0.00 0.00 179.45 178.87 2nln n TYR 65 N -3.66 0.85 -0.09 -1.35 4.01 0.36 -3.58 117.16 113.70 2nln n TYR 65 Ca -0.03 0.30 -0.07 0.00 -0.16 0.00 0.00 57.90 57.94 2nln n TYR 65 Cb 0.13 -0.98 -0.00 0.00 -0.31 0.00 0.00 39.34 38.18 2nln n TYR 65 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 2nln h PHE 66 N 0.00 -0.53 -0.42 -0.72 3.57 -1.44 1.37 116.94 118.77 2nln h PHE 66 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2nln h PHE 66 Cb 0.51 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 2nln h PHE 66 CO 0.00 -0.28 0.12 -0.07 -2.23 0.00 0.00 178.31 175.85 2nln h LEU 67 N -0.17 0.56 -0.61 0.59 3.38 -1.78 -1.94 115.31 115.34 2nln h LEU 67 Ca 0.17 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 2nln h LEU 67 Cb 0.42 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2nln h LEU 67 CO -0.43 0.54 -0.07 1.56 0.09 0.00 0.00 178.44 180.13 2nln h GLN 68 N 0.60 1.02 0.51 1.13 4.20 -0.65 0.78 115.11 122.70 2nln h GLN 68 Ca 0.14 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 2nln h GLN 68 Cb 0.19 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2nln h GLN 68 CO -0.01 1.04 -0.43 0.87 -0.67 0.00 0.00 178.83 179.64 2nln h LYS 69 N 0.92 -0.88 -0.20 1.46 1.79 0.24 0.62 116.57 120.52 2nln h LYS 69 Ca 0.15 0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.62 2nln h LYS 69 Cb 0.63 0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.48 2nln h LYS 69 CO 0.04 -0.59 -0.10 0.35 -1.08 0.00 0.00 179.45 178.07 2nln h PHE 70 N -0.91 0.49 0.00 -1.35 3.57 -1.49 -3.39 116.94 113.85 2nln h PHE 70 Ca -0.07 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.31 2nln h PHE 70 Cb 0.77 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2nln h PHE 70 CO -0.18 0.72 0.00 0.94 -2.23 0.00 0.00 178.31 177.56 2nln n GLN 71 N -4.56 0.00 0.00 1.11 7.27 0.27 -5.02 117.38 116.46 2nln n GLN 71 Ca -0.05 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.24 2nln n GLN 71 Cb 0.33 -0.70 0.00 0.00 2.41 0.00 0.00 30.24 32.28 2nln n GLN 71 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2nln n SER 72 N -1.33 0.00 -0.95 1.69 7.64 0.21 -4.97 113.62 115.91 2nln n SER 72 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 2nln n SER 72 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2nln n SER 72 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2nln n ASP 73 N 0.00 -0.70 -4.69 6.43 2.03 -1.26 -5.00 116.55 113.36 2nln n ASP 73 Ca 0.00 -1.85 -0.36 0.00 0.52 0.00 0.00 54.79 53.10 2nln n ASP 73 Cb 0.00 0.21 0.08 0.00 -0.72 0.00 0.00 41.12 40.69 2nln n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2nln n ALA 74 N 0.03 0.62 0.95 -1.67 0.00 -1.26 -4.86 120.51 114.32 2nln n ALA 74 Ca -0.21 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.26 2nln n ALA 74 Cb 0.70 -2.24 0.51 0.00 0.00 0.00 0.00 19.45 18.41 2nln n ALA 74 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2nln n ARG 75 N -1.91 0.28 -1.11 0.00 0.00 -1.26 -4.82 116.66 107.83 2nln n ARG 75 Ca 0.15 0.10 0.00 0.00 -0.00 0.00 0.00 57.85 58.09 2nln n ARG 75 Cb 0.48 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.44 2nln n ARG 75 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2nln n GLU 76 N -1.30 0.00 -1.92 2.89 1.02 -1.26 -4.22 120.64 115.85 2nln n GLU 76 Ca 0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.21 2nln n GLU 76 Cb 0.17 -1.22 -0.01 0.00 -0.02 0.00 0.00 31.44 30.36 2nln n GLU 76 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2nln n LEU 77 N -0.19 -0.06 0.00 -4.62 4.77 -1.26 -4.55 117.00 111.09 2nln n LEU 77 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2nln n LEU 77 Cb 0.23 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2nln n LEU 77 CO 0.00 0.01 0.00 0.35 -1.33 0.00 0.00 177.39 176.42 2nln n THR 78 N -1.68 0.00 -0.07 -5.08 -2.24 -1.26 -1.38 114.28 102.57 2nln n THR 78 Ca 0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 2nln n THR 78 Cb 0.31 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 2nln n THR 78 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2nln h GLU 79 N 0.00 0.40 -0.05 -0.78 4.81 -1.90 -3.32 114.58 113.74 2nln h GLU 79 Ca 0.00 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2nln h GLU 79 Cb 0.00 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2nln h GLU 79 CO 0.00 0.68 -0.07 1.03 -0.73 0.00 0.00 179.01 179.92 2nln h SER 80 N 0.11 0.15 -0.90 1.04 0.87 -1.83 -3.34 113.55 109.65 2nln h SER 80 Ca 0.05 -0.52 0.08 0.00 -1.23 0.00 0.00 61.79 60.17 2nln h SER 80 Cb 0.54 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.39 2nln h SER 80 CO 0.02 0.64 0.55 -0.08 -0.53 0.00 0.00 176.83 177.44 2nln h GLU 81 N -0.33 0.94 -0.01 2.24 4.22 -1.42 0.28 114.58 120.49 2nln h GLU 81 Ca 0.01 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2nln h GLU 81 Cb 0.60 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2nln h GLU 81 CO 0.02 0.62 0.08 1.79 -2.18 0.00 0.00 179.01 179.34 2nln h THR 82 N 0.97 0.07 -0.90 0.32 1.35 -1.32 0.16 112.91 113.56 2nln h THR 82 Ca 0.41 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 66.33 2nln h THR 82 Cb 0.27 0.92 -0.06 0.00 -1.73 0.00 0.00 68.15 67.55 2nln h THR 82 CO -0.21 0.00 0.57 0.50 -0.25 0.00 0.00 175.52 176.13 2nln h LYS 83 N 0.00 1.01 -0.03 4.72 3.64 -0.58 0.81 116.57 126.14 2nln h LYS 83 Ca 0.01 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2nln h LYS 83 Cb 0.17 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 2nln h LYS 83 CO -0.00 0.67 -0.20 0.77 -2.27 0.00 0.00 179.45 178.42 2nln h SER 84 N 1.04 -0.59 0.11 4.20 0.02 -0.77 1.17 113.55 118.75 2nln h SER 84 Ca 0.39 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.42 2nln h SER 84 Cb 0.15 0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2nln h SER 84 CO -0.17 -0.26 -0.06 -0.07 -1.14 0.00 0.00 176.83 175.14 2nln h LEU 85 N -0.30 -0.13 -0.20 5.07 3.38 -1.34 0.37 115.31 122.16 2nln h LEU 85 Ca 0.07 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2nln h LEU 85 Cb 0.39 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2nln h LEU 85 CO -0.21 -0.01 -0.11 0.24 0.09 0.00 0.00 178.44 178.44 2nln h MET 86 N -0.24 -0.10 0.00 1.13 2.86 0.95 0.18 114.93 119.71 2nln h MET 86 Ca -0.02 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2nln h MET 86 Cb 0.20 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2nln h MET 86 CO 0.03 -0.06 0.00 -0.25 1.06 0.00 0.00 176.91 177.68 2nln n ASP 87 N -5.27 0.00 0.22 1.22 9.92 0.40 -3.10 116.55 119.95 2nln n ASP 87 Ca -0.02 -0.02 0.11 0.00 -0.53 0.00 0.00 54.79 54.33 2nln n ASP 87 Cb 0.19 -0.27 0.43 0.00 -0.64 0.00 0.00 41.12 40.82 2nln n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2nln h ALA 88 N 2.93 0.98 -0.77 2.24 0.00 0.29 -3.46 119.26 121.47 2nln h ALA 88 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2nln h ALA 88 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2nln h ALA 88 CO 0.00 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.48 2nln n ALA 89 N -2.19 0.00 -0.25 0.00 0.00 -1.18 -4.64 120.51 112.25 2nln n ALA 89 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 2nln n ALA 89 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 2nln n ALA 89 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2nln n ASP 90 N -2.00 1.48 0.00 0.00 5.68 -1.20 -3.45 116.55 117.06 2nln n ASP 90 Ca 0.00 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.41 2nln n ASP 90 Cb 0.00 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.50 2nln n ASP 90 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2nln n ASN 91 N 3.58 4.52 0.23 -1.12 0.23 -1.23 -2.38 115.26 119.09 2nln n ASN 91 Ca 0.13 0.00 0.16 0.00 -0.53 0.00 0.00 54.58 54.34 2nln n ASN 91 Cb 0.15 0.58 0.67 0.00 -2.08 0.00 0.00 39.78 39.09 2nln n ASN 91 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2nln h ASP 92 N 0.00 0.00 0.00 0.53 1.82 -1.91 -3.43 116.42 113.43 2nln h ASP 92 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2nln h ASP 92 Cb 0.65 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.66 2nln h ASP 92 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 2nln n GLY 93 N -0.15 -1.74 0.00 -0.78 0.00 -1.26 -5.11 105.19 96.15 2nln n GLY 93 Ca 0.01 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.60 2nln n GLY 93 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2nln n ASP 94 N 0.00 0.00 0.00 1.61 2.03 -1.26 -5.04 116.55 113.88 2nln n ASP 94 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2nln n ASP 94 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2nln n ASP 94 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nln n GLY 95 N -0.40 0.49 3.60 0.27 0.00 -1.00 -4.98 105.19 103.17 2nln n GLY 95 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2nln n GLY 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nln s LYS 96 N 0.00 3.15 -0.63 1.61 2.36 -1.26 -3.55 119.74 121.43 2nln s LYS 96 Ca 0.00 -0.47 -0.12 0.00 -2.55 0.00 0.00 55.97 52.83 2nln s LYS 96 Cb 0.00 -2.79 0.16 0.00 -1.05 0.00 0.00 37.83 34.15 2nln s LYS 96 CO 0.00 0.55 0.54 0.42 1.55 0.00 0.00 175.35 178.40 2nln s ILE 97 N -0.47 4.86 0.42 5.43 -1.09 0.32 -4.14 121.20 126.52 2nln s ILE 97 Ca 0.08 -2.10 0.07 0.00 -2.23 0.00 0.00 60.65 56.47 2nln s ILE 97 Cb -0.12 -4.10 -0.05 0.00 -1.58 0.00 0.00 42.46 36.61 2nln s ILE 97 CO 0.02 -0.90 0.20 -0.83 -1.23 0.00 0.00 174.94 172.21 2nln s GLY 98 N 2.47 2.33 0.28 6.18 0.00 -1.26 -2.83 107.32 114.49 2nln s GLY 98 Ca 0.10 -2.07 0.02 0.00 0.00 0.00 0.00 44.72 42.77 2nln s GLY 98 CO -0.03 -1.90 1.78 0.00 0.00 0.00 0.00 173.10 172.95 2nln h ALA 99 N 1.38 1.45 0.28 3.20 0.00 -1.93 1.27 119.26 124.91 2nln h ALA 99 Ca -0.43 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2nln h ALA 99 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2nln h ALA 99 CO 0.69 -0.03 -0.13 -0.44 0.00 0.00 0.00 179.25 179.34 2nln h ASP 100 N 0.73 -0.32 0.11 0.00 3.32 -1.97 0.25 116.42 118.54 2nln h ASP 100 Ca 0.51 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.49 2nln h ASP 100 Cb 0.72 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 2nln h ASP 100 CO -0.36 -0.13 -0.06 -0.08 -1.72 0.00 0.00 179.24 176.90 2nln h GLU 101 N -0.49 -0.15 -0.58 3.56 4.22 -1.46 -2.15 114.58 117.51 2nln h GLU 101 Ca -0.04 0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.51 2nln h GLU 101 Cb 0.37 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 2nln h GLU 101 CO 0.06 -0.10 0.16 0.35 -2.18 0.00 0.00 179.01 177.30 2nln h PHE 102 N -0.16 0.26 -0.40 0.92 3.04 0.16 0.15 116.94 120.91 2nln h PHE 102 Ca -0.01 0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.09 2nln h PHE 102 Cb 0.13 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 2nln h PHE 102 CO -0.08 0.02 0.29 1.96 -2.02 0.00 0.00 178.31 178.48 2nln h GLN 103 N 0.31 0.00 -0.62 1.11 1.08 0.00 -1.74 115.11 115.25 2nln h GLN 103 Ca 0.30 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.48 2nln h GLN 103 Cb 0.42 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.82 2nln h GLN 103 CO -0.35 0.00 0.31 0.93 -0.95 0.00 0.00 178.83 178.77 2nln h GLU 104 N 0.00 0.88 0.55 1.46 4.39 -0.08 -2.38 114.58 119.39 2nln h GLU 104 Ca 0.19 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 2nln h GLU 104 Cb 0.77 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2nln h GLU 104 CO -0.00 0.69 -0.30 1.98 -1.16 0.00 0.00 179.01 180.22 2nln h MET 105 N 0.84 -0.76 -0.36 2.33 4.05 -1.27 0.95 114.93 120.72 2nln h MET 105 Ca 0.21 0.05 0.10 0.00 -0.28 0.00 0.00 59.70 59.79 2nln h MET 105 Cb 0.09 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 2nln h MET 105 CO -0.03 -0.50 0.27 -0.24 0.23 0.00 0.00 176.91 176.63 2nln h VAL 106 N -0.79 0.77 0.00 -5.77 3.04 -1.55 -3.13 116.25 108.82 2nln h VAL 106 Ca -0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2nln h VAL 106 Cb 0.62 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 2nln h VAL 106 CO 0.09 0.00 0.00 1.57 -1.01 0.00 0.00 177.57 178.22 2nln n HIS 107 N -4.35 0.00 -0.09 3.17 -0.00 -0.82 -5.03 115.22 108.09 2nln n HIS 107 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2nln n HIS 107 Cb 0.45 -0.40 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 2nln n HIS 107 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79