#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f h GLU 5 N 0.00 0.57 0.06 4.33 3.07 -2.07 -3.22 114.58 117.33 3i8f h GLU 5 Ca 0.00 -0.49 -0.00 0.00 -0.50 0.00 0.00 59.36 58.37 3i8f h GLU 5 Cb 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 3i8f h GLU 5 CO 0.00 1.11 -0.03 0.28 -1.40 0.00 0.00 179.01 178.98 3i8f h VAL 6 N 0.38 1.01 -1.38 3.13 2.07 -2.04 -2.97 116.25 116.46 3i8f h VAL 6 Ca -0.05 -0.24 0.40 0.00 0.82 0.00 0.00 66.70 67.64 3i8f h VAL 6 Cb 1.39 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 32.26 3i8f h VAL 6 CO 0.15 0.06 0.97 -0.09 0.02 0.00 0.00 177.57 178.68 3i8f h ARG 7 N -0.18 0.06 0.00 1.57 2.43 -1.98 0.22 114.38 116.49 3i8f h ARG 7 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3i8f h ARG 7 Cb 0.16 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3i8f h ARG 7 CO 0.01 0.04 0.00 1.17 -1.51 0.00 0.00 179.97 179.68 3i8f n LYS 8 N -4.25 0.00 -0.25 0.20 4.81 -1.12 -1.52 118.16 116.03 3i8f n LYS 8 Ca 0.32 0.41 0.32 0.00 -0.87 0.00 0.00 58.31 58.48 3i8f n LYS 8 Cb 1.42 -1.17 0.73 0.00 0.02 0.00 0.00 35.03 36.02 3i8f n LYS 8 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3i8f h GLN 9 N 0.00 0.01 0.63 1.64 -0.00 -1.46 0.82 115.11 116.75 3i8f h GLN 9 Ca 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 3i8f h GLN 9 Cb 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 27.48 27.48 3i8f h GLN 9 CO 0.00 0.01 -0.30 1.25 0.00 0.00 0.00 178.83 179.79 3i8f h LEU 10 N 0.01 -0.71 -1.36 -2.39 5.85 -0.60 1.44 115.31 117.55 3i8f h LEU 10 Ca 0.50 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.24 3i8f h LEU 10 Cb 1.97 0.18 0.00 0.00 0.37 0.00 0.00 40.66 43.19 3i8f h LEU 10 CO -0.01 -0.37 0.00 -0.08 -0.34 0.00 0.00 178.44 177.63 3i8f h GLU 11 N -1.12 0.00 0.00 1.25 4.57 -0.28 -0.47 114.58 118.52 3i8f h GLU 11 Ca -0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3i8f h GLU 11 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3i8f h GLU 11 CO 0.14 0.00 0.00 -1.91 -1.18 0.00 0.00 179.01 176.06 3i8f n GLU 12 N -2.72 0.00 -0.35 1.92 4.07 0.28 -4.06 120.64 119.77 3i8f n GLU 12 Ca 0.01 0.00 0.30 0.00 -0.06 0.00 0.00 57.16 57.40 3i8f n GLU 12 Cb 0.23 -0.61 0.56 0.00 -0.06 0.00 0.00 31.44 31.56 3i8f n GLU 12 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i8f h ALA 13 N -2.00 2.21 -2.54 4.31 0.00 0.20 -3.38 119.26 118.06 3i8f h ALA 13 Ca 0.00 0.20 -0.52 0.00 0.00 0.00 0.00 54.91 54.58 3i8f h ALA 13 Cb 0.00 0.22 0.04 0.00 0.00 0.00 0.00 17.79 18.05 3i8f h ALA 13 CO 0.00 -0.89 1.08 0.50 0.00 0.00 0.00 179.25 179.95 3i8f s ARG 14 N -5.53 4.14 -0.35 0.00 3.52 -0.19 -3.56 118.95 116.99 3i8f s ARG 14 Ca -0.09 2.58 -0.07 0.00 -0.13 0.00 0.00 55.73 58.02 3i8f s ARG 14 Cb 0.31 -3.49 0.01 0.00 -1.56 0.00 0.00 34.95 30.22 3i8f s ARG 14 CO 0.79 -0.82 0.42 1.63 -0.81 0.00 0.00 175.30 176.52 3i8f n LYS 15 N 5.33 -1.35 0.00 5.12 4.76 -1.26 -4.88 118.16 125.89 3i8f n LYS 15 Ca 0.17 1.44 0.00 0.00 -2.87 0.00 0.00 58.31 57.05 3i8f n LYS 15 Cb 0.38 -4.29 0.00 0.00 -1.84 0.00 0.00 35.03 29.28 3i8f n LYS 15 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 3i8f n LEU 16 N -0.75 0.00 0.00 -0.35 -0.00 -1.23 -5.05 117.00 109.62 3i8f n LEU 16 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 3i8f n LEU 16 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 3i8f n LEU 16 CO 0.33 0.00 0.00 -1.54 -0.00 0.00 0.00 177.39 176.18 3i8f n SER 17 N 0.00 0.53 0.07 1.45 3.41 -1.26 -4.23 113.62 113.60 3i8f n SER 17 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 3i8f n SER 17 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3i8f n SER 17 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3i8f h PRO 18 N 0.00 0.33 0.00 4.33 0.13 -1.99 -3.41 132.00 131.39 3i8f h PRO 18 Ca 0.00 -0.37 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 3i8f h PRO 18 Cb 0.00 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.23 3i8f h PRO 18 CO 0.00 1.06 -0.05 0.28 -0.23 0.00 0.00 178.00 179.06 3i8f h VAL 19 N 0.18 0.39 -0.22 1.56 2.07 -1.99 -2.18 116.25 116.06 3i8f h VAL 19 Ca -0.07 -0.24 -0.17 0.00 0.82 0.00 0.00 66.70 67.04 3i8f h VAL 19 Cb 1.57 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 3i8f h VAL 19 CO 0.15 0.05 -0.52 -0.33 0.02 0.00 0.00 177.57 176.94 3i8f h GLU 20 N 0.00 0.74 0.30 1.57 5.08 -1.81 -2.38 114.58 118.09 3i8f h GLU 20 Ca -0.00 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 3i8f h GLU 20 Cb 0.17 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3i8f h GLU 20 CO 0.01 1.13 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.93 3i8f h LEU 21 N 0.47 -0.34 -1.97 1.33 3.38 -1.59 -0.06 115.31 116.53 3i8f h LEU 21 Ca -0.00 -0.06 0.29 0.00 0.09 0.00 0.00 57.88 58.19 3i8f h LEU 21 Cb 1.13 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 3i8f h LEU 21 CO 0.11 -0.15 0.75 -0.08 0.09 0.00 0.00 178.44 179.16 3i8f h GLU 22 N -0.51 0.00 0.03 1.13 4.81 -1.41 0.11 114.58 118.74 3i8f h GLU 22 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3i8f h GLU 22 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3i8f h GLU 22 CO 0.07 0.00 -0.02 0.87 -0.73 0.00 0.00 179.01 179.20 3i8f h LYS 23 N 0.00 -0.04 -0.92 1.92 1.57 -0.77 -2.97 116.57 115.35 3i8f h LYS 23 Ca 0.48 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.35 3i8f h LYS 23 Cb 1.97 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 34.21 3i8f h LYS 23 CO -0.01 0.57 0.57 1.25 -0.57 0.00 0.00 179.45 181.26 3i8f h LEU 24 N -0.95 0.85 -0.12 2.94 6.46 0.44 -2.08 115.31 122.86 3i8f h LEU 24 Ca -0.00 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 3i8f h LEU 24 Cb 0.63 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.43 3i8f h LEU 24 CO 0.01 0.49 0.03 -0.37 -0.62 0.00 0.00 178.44 177.97 3i8f h VAL 25 N 0.95 1.20 -0.03 1.05 -1.51 -0.97 0.11 116.25 117.06 3i8f h VAL 25 Ca 0.44 -0.63 0.01 0.00 -1.23 0.00 0.00 66.70 65.28 3i8f h VAL 25 Cb 0.35 1.40 -0.00 0.00 -2.13 0.00 0.00 31.29 30.91 3i8f h VAL 25 CO -0.23 0.18 0.17 0.03 -1.23 0.00 0.00 177.57 176.50 3i8f h ARG 26 N -0.02 0.00 0.13 5.19 3.08 -1.23 0.56 114.38 122.09 3i8f h ARG 26 Ca 0.04 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.77 3i8f h ARG 26 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 3i8f h ARG 26 CO 0.00 0.00 -1.64 0.93 -1.07 0.00 0.00 179.97 178.19 3i8f h GLU 27 N 0.00 0.28 -0.70 0.04 5.08 -0.68 -2.60 114.58 116.01 3i8f h GLU 27 Ca 0.01 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 3i8f h GLU 27 Cb 0.36 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3i8f h GLU 27 CO -0.00 1.23 0.30 0.87 -1.00 0.00 0.00 179.01 180.41 3i8f h LYS 28 N -0.13 1.02 0.25 2.33 1.79 0.18 0.26 116.57 122.27 3i8f h LYS 28 Ca -0.35 -0.16 -0.01 0.00 -2.18 0.00 0.00 60.65 57.95 3i8f h LYS 28 Cb 1.90 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 32.38 3i8f h LYS 28 CO 0.09 0.82 -0.12 0.87 -1.08 0.00 0.00 179.45 180.02 3i8f h LYS 29 N 1.00 -0.32 -0.06 3.15 1.79 -0.11 -0.23 116.57 121.79 3i8f h LYS 29 Ca 0.24 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.77 3i8f h LYS 29 Cb 0.16 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 30.83 3i8f h LYS 29 CO -0.02 -0.21 -0.30 -0.09 -1.08 0.00 0.00 179.45 177.74 3i8f h ARG 30 N -0.34 -0.40 -0.12 3.15 2.43 -0.92 -0.43 114.38 117.75 3i8f h ARG 30 Ca -0.03 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3i8f h ARG 30 Cb 0.26 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3i8f h ARG 30 CO 0.06 -0.27 -0.20 0.93 -1.51 0.00 0.00 179.97 178.98 3i8f h GLU 31 N -0.42 -0.15 -0.78 0.20 5.08 -0.30 -0.86 114.58 117.35 3i8f h GLU 31 Ca 0.08 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.59 3i8f h GLU 31 Cb 0.53 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.68 3i8f h GLU 31 CO -0.29 -0.10 -0.22 -0.11 -1.00 0.00 0.00 179.01 177.28 3i8f n LEU 32 N -3.64 -0.34 -0.20 1.33 7.94 -0.12 0.33 117.00 122.31 3i8f n LEU 32 Ca -0.02 1.34 0.01 0.00 -1.11 0.00 0.00 56.01 56.23 3i8f n LEU 32 Cb 0.12 -0.38 0.10 0.00 0.53 0.00 0.00 43.42 43.79 3i8f n LEU 32 CO 0.01 -1.26 0.84 -0.03 -1.11 0.00 0.00 177.39 175.84 3i8f h MET 33 N 0.00 0.12 -0.21 1.96 4.05 0.33 0.18 114.93 121.37 3i8f h MET 33 Ca 0.35 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.82 3i8f h MET 33 Cb 0.54 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.25 3i8f h MET 33 CO -0.79 0.08 -0.24 0.93 0.23 0.00 0.00 176.91 177.12 3i8f h GLU 34 N 0.13 -0.26 -0.55 0.39 4.39 0.60 0.42 114.58 119.70 3i8f h GLU 34 Ca 0.32 0.02 0.11 0.00 0.34 0.00 0.00 59.36 60.14 3i8f h GLU 34 Cb 0.51 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 29.11 3i8f h GLU 34 CO -0.51 -0.17 -0.17 -0.07 -1.16 0.00 0.00 179.01 176.93 3i8f h LEU 35 N -0.27 -0.62 -0.04 1.33 -0.00 0.08 -1.36 115.31 114.44 3i8f h LEU 35 Ca 0.13 0.18 0.03 0.00 -0.00 0.00 0.00 57.88 58.21 3i8f h LEU 35 Cb 0.46 0.38 -0.06 0.00 -0.00 0.00 0.00 40.66 41.45 3i8f h LEU 35 CO -0.37 -0.21 -0.45 0.03 -0.00 0.00 0.00 178.44 177.44 3i8f h ARG 36 N -0.04 -0.56 -0.27 1.13 3.08 0.12 0.10 114.38 117.94 3i8f h ARG 36 Ca 0.26 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.41 3i8f h ARG 36 Cb 0.44 0.13 -0.08 0.00 0.08 0.00 0.00 29.97 30.54 3i8f h ARG 36 CO -0.59 -0.37 -0.31 0.74 -1.07 0.00 0.00 179.97 178.37 3i8f h PHE 37 N -0.58 -0.84 -0.66 3.04 -1.00 -0.15 0.99 116.94 117.75 3i8f h PHE 37 Ca 0.05 0.05 0.05 0.00 2.81 0.00 0.00 57.97 60.93 3i8f h PHE 37 Cb 0.67 0.41 -0.05 0.00 3.61 0.00 0.00 35.95 40.58 3i8f h PHE 37 CO -0.46 -0.38 0.37 1.96 -1.61 0.00 0.00 178.31 178.19 3i8f h GLN 38 N -0.30 0.67 -0.67 1.51 4.20 -1.01 -0.16 115.11 119.35 3i8f h GLN 38 Ca 0.14 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 3i8f h GLN 38 Cb 0.53 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 3i8f h GLN 38 CO -0.44 0.44 0.15 0.00 -0.67 0.00 0.00 178.83 178.31 3i8f h ALA 39 N 1.33 0.89 -0.08 3.87 0.00 0.47 -2.47 119.26 123.27 3i8f h ALA 39 Ca 0.29 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3i8f h ALA 39 Cb 0.16 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3i8f h ALA 39 CO -0.17 0.62 -0.11 1.03 0.00 0.00 0.00 179.25 180.63 3i8f h SER 40 N 1.01 -0.32 0.24 0.00 0.87 0.22 0.67 113.55 116.23 3i8f h SER 40 Ca 0.21 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3i8f h SER 40 Cb 0.39 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 3i8f h SER 40 CO 0.01 -0.15 0.00 2.30 -0.53 0.00 0.00 176.83 178.46 3i8f n ILE 41 N -5.24 0.54 0.00 2.23 -5.35 -0.19 -4.87 119.36 106.48 3i8f n ILE 41 Ca -0.04 0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 3i8f n ILE 41 Cb 0.17 -0.90 0.00 0.00 -1.74 0.00 0.00 39.64 37.16 3i8f n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i8f n GLY 42 N -0.09 1.37 2.53 3.28 0.00 0.23 -4.70 105.19 107.81 3i8f n GLY 42 Ca 0.07 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3i8f n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i8f n GLN 43 N 0.00 0.00 0.00 1.61 1.13 -1.26 -3.27 117.38 115.59 3i8f n GLN 43 Ca 0.00 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 3i8f n GLN 43 Cb 0.00 -0.82 0.00 0.00 0.11 0.00 0.00 30.24 29.53 3i8f n GLN 43 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3i8f n LEU 44 N 2.11 0.00 -3.61 1.08 4.77 -1.26 -5.10 117.00 115.00 3i8f n LEU 44 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3i8f n LEU 44 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3i8f n LEU 44 CO 0.06 0.00 0.89 -0.55 -1.33 0.00 0.00 177.39 176.46 3i8f s SER 45 N 0.00 -0.28 -0.63 -1.43 0.15 -1.20 -4.32 113.70 105.98 3i8f s SER 45 Ca 0.00 0.35 0.05 0.00 0.70 0.00 0.00 55.95 57.05 3i8f s SER 45 Cb 0.00 0.29 0.19 0.00 -1.71 0.00 0.00 66.02 64.79 3i8f s SER 45 CO 0.00 -0.22 0.51 0.00 1.20 0.00 0.00 173.24 174.73 3i8f n GLN 46 N 0.92 1.61 0.00 5.44 1.13 -1.26 -5.02 117.38 120.19 3i8f n GLN 46 Ca -0.08 -4.23 0.00 0.00 -1.94 0.00 0.00 57.00 50.75 3i8f n GLN 46 Cb 0.58 -2.13 0.00 0.00 0.11 0.00 0.00 30.24 28.80 3i8f n GLN 46 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3i8f n ASN 47 N 1.91 0.00 0.00 1.08 0.23 -1.26 -3.30 115.26 113.92 3i8f n ASN 47 Ca 0.23 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.28 3i8f n ASN 47 Cb 0.39 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 3i8f n ASN 47 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i8f n HIS 48 N -0.99 0.00 -0.18 -2.53 1.44 -1.26 0.46 115.22 112.16 3i8f n HIS 48 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 3i8f n HIS 48 Cb 0.00 -0.34 0.01 0.00 0.12 0.00 0.00 29.99 29.78 3i8f n HIS 48 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3i8f h LYS 49 N 0.00 1.03 -0.25 -1.40 1.57 -1.97 -2.74 116.57 112.81 3i8f h LYS 49 Ca 0.00 -0.40 0.02 0.00 -1.87 0.00 0.00 60.65 58.40 3i8f h LYS 49 Cb 0.00 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3i8f h LYS 49 CO 0.00 1.09 0.09 -0.84 -0.57 0.00 0.00 179.45 179.22 3i8f h ILE 50 N 0.91 0.94 -0.32 1.86 -0.00 -0.31 0.99 117.51 121.58 3i8f h ILE 50 Ca 0.13 -0.07 -0.16 0.00 -0.00 0.00 0.00 64.86 64.76 3i8f h ILE 50 Cb 0.72 0.72 -0.00 0.00 -0.00 0.00 0.00 36.82 38.26 3i8f h ILE 50 CO 0.06 0.04 -0.43 0.08 -0.00 0.00 0.00 178.15 177.89 3i8f h ARG 51 N 0.20 0.86 -0.61 0.16 0.11 -1.74 0.77 114.38 114.13 3i8f h ARG 51 Ca 0.11 -0.50 0.13 0.00 0.10 0.00 0.00 59.98 59.82 3i8f h ARG 51 Cb 0.07 0.04 -0.11 0.00 1.11 0.00 0.00 29.97 31.08 3i8f h ARG 51 CO -0.11 1.13 -0.08 0.22 0.10 0.00 0.00 179.97 181.24 3i8f h ASP 52 N 0.64 -0.42 0.46 0.08 3.58 -1.08 0.39 116.42 120.07 3i8f h ASP 52 Ca 0.04 0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 3i8f h ASP 52 Cb 1.03 0.32 0.00 0.00 1.72 0.00 0.00 39.33 42.41 3i8f h ASP 52 CO 0.10 -0.16 -0.22 0.25 -2.88 0.00 0.00 179.24 176.33 3i8f h LEU 53 N 0.05 -0.52 -0.78 2.28 6.46 0.13 -3.02 115.31 119.92 3i8f h LEU 53 Ca 0.31 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 58.16 3i8f h LEU 53 Cb 0.48 0.14 -0.10 0.00 -0.73 0.00 0.00 40.66 40.45 3i8f h LEU 53 CO -0.58 -0.22 -0.44 0.29 -0.62 0.00 0.00 178.44 176.88 3i8f n LYS 54 N -4.55 -0.32 -0.24 1.25 5.02 0.23 0.17 118.16 119.72 3i8f n LYS 54 Ca -0.08 1.17 0.15 0.00 -2.02 0.00 0.00 58.31 57.54 3i8f n LYS 54 Cb 0.24 -1.73 0.44 0.00 -0.02 0.00 0.00 35.03 33.97 3i8f n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i8f h ARG 55 N 0.00 0.53 0.51 1.97 -0.00 -1.03 -1.77 114.38 114.59 3i8f h ARG 55 Ca 0.14 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.57 3i8f h ARG 55 Cb 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.19 3i8f h ARG 55 CO -0.73 0.35 -0.29 1.96 0.00 0.00 0.00 179.97 181.25 3i8f h GLN 56 N 0.55 -0.72 -0.97 0.04 4.20 0.19 -0.84 115.11 117.56 3i8f h GLN 56 Ca 0.45 0.05 0.19 0.00 0.06 0.00 0.00 58.65 59.39 3i8f h GLN 56 Cb 0.91 0.16 -0.18 0.00 0.30 0.00 0.00 27.48 28.67 3i8f h GLN 56 CO -0.19 -0.48 -0.27 0.82 -0.67 0.00 0.00 178.83 178.04 3i8f h ILE 57 N -0.75 0.02 -0.01 2.54 1.08 -0.73 0.54 117.51 120.21 3i8f h ILE 57 Ca -0.07 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.41 3i8f h ILE 57 Cb 0.59 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.33 3i8f h ILE 57 CO 0.09 0.00 -0.32 0.00 -0.69 0.00 0.00 178.15 177.22 3i8f h ALA 58 N 1.85 -0.76 -0.28 1.87 0.00 -1.13 1.30 119.26 122.10 3i8f h ALA 58 Ca 0.44 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.33 3i8f h ALA 58 Cb 0.69 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 3i8f h ALA 58 CO -1.00 -0.86 -0.31 0.00 0.00 0.00 0.00 179.25 177.09 3i8f h ARG 59 N -0.39 -0.17 -0.87 0.00 3.08 0.13 1.45 114.38 117.60 3i8f h ARG 59 Ca 0.01 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.26 3i8f h ARG 59 Cb 0.43 0.04 -0.16 0.00 0.08 0.00 0.00 29.97 30.35 3i8f h ARG 59 CO -0.22 -0.11 -0.15 -0.07 -1.07 0.00 0.00 179.97 178.34 3i8f h LEU 60 N -0.18 -0.70 0.16 3.04 4.07 0.47 0.13 115.31 122.31 3i8f h LEU 60 Ca 0.05 0.26 -0.01 0.00 0.08 0.00 0.00 57.88 58.26 3i8f h LEU 60 Cb 0.31 0.51 0.00 0.00 1.08 0.00 0.00 40.66 42.56 3i8f h LEU 60 CO -0.36 -0.28 -0.08 -0.07 -1.08 0.00 0.00 178.44 176.57 3i8f h LEU 61 N 0.02 -0.19 -0.87 1.67 3.38 0.60 0.74 115.31 120.66 3i8f h LEU 61 Ca 0.44 -0.10 0.19 0.00 0.09 0.00 0.00 57.88 58.50 3i8f h LEU 61 Cb 0.73 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.42 3i8f h LEU 61 CO -0.87 -0.01 0.41 0.71 0.09 0.00 0.00 178.44 178.76 3i8f h THR 62 N -0.35 0.57 -0.48 0.22 1.35 0.42 0.42 112.91 115.06 3i8f h THR 62 Ca -0.02 -0.17 -0.13 0.00 -0.55 0.00 0.00 66.41 65.54 3i8f h THR 62 Cb 0.27 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.73 3i8f h THR 62 CO 0.04 0.09 -0.21 0.58 -0.25 0.00 0.00 175.52 175.77 3i8f h VAL 63 N 0.49 1.27 -0.72 6.82 2.07 -0.68 0.23 116.25 125.72 3i8f h VAL 63 Ca 0.52 -1.37 0.07 0.00 0.82 0.00 0.00 66.70 66.73 3i8f h VAL 63 Cb 0.90 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 3i8f h VAL 63 CO -0.46 0.47 0.48 0.25 0.02 0.00 0.00 177.57 178.33 3i8f h LEU 64 N 0.85 0.66 0.02 2.57 6.46 0.21 0.30 115.31 126.38 3i8f h LEU 64 Ca 0.11 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 3i8f h LEU 64 Cb 0.79 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 3i8f h LEU 64 CO 0.07 0.43 -0.01 -1.13 -0.62 0.00 0.00 178.44 177.17 3i8f h ASN 65 N 0.75 -0.03 -0.98 1.25 -1.24 0.19 -2.31 115.58 113.21 3i8f h ASN 65 Ca 0.31 -0.51 0.32 0.00 0.71 0.00 0.00 56.30 57.13 3i8f h ASN 65 Cb 0.27 0.01 -0.16 0.00 0.73 0.00 0.00 38.32 39.17 3i8f h ASN 65 CO -0.10 0.50 0.46 -0.08 -1.29 0.00 0.00 177.43 176.92 3i8f h GLU 66 N -0.57 0.21 0.00 6.67 4.81 0.10 0.47 114.58 126.27 3i8f h GLU 66 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3i8f h GLU 66 Cb 0.53 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3i8f h GLU 66 CO 0.01 0.14 0.00 1.63 -0.73 0.00 0.00 179.01 180.05 3i8f n LYS 67 N -5.16 0.00 -0.33 1.92 4.01 0.89 -2.77 118.16 116.73 3i8f n LYS 67 Ca 0.30 0.14 0.26 0.00 -0.51 0.00 0.00 58.31 58.50 3i8f n LYS 67 Cb 0.97 -1.11 0.48 0.00 -0.51 0.00 0.00 35.03 34.87 3i8f n LYS 67 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i8f h ARG 68 N 0.00 0.03 -0.27 1.97 2.47 -0.80 0.18 114.38 117.97 3i8f h ARG 68 Ca 0.00 -0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.75 3i8f h ARG 68 Cb 0.00 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 3i8f h ARG 68 CO 0.00 0.02 -0.29 -0.09 0.56 0.00 0.00 179.97 180.17 3i8f h ARG 69 N 0.03 -0.15 0.00 0.04 9.65 -0.11 -3.41 114.38 120.44 3i8f h ARG 69 Ca 0.76 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.65 3i8f h ARG 69 Cb 1.87 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.49 3i8f h ARG 69 CO -0.80 -0.10 0.00 0.94 2.80 0.00 0.00 179.97 182.81 3i8f n GLN 70 N -4.08 1.43 0.00 0.20 7.27 0.63 -5.05 117.38 117.78 3i8f n GLN 70 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 3i8f n GLN 70 Cb 0.16 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.81 3i8f n GLN 70 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3i8f n ASN 71 N 0.00 0.00 0.00 1.69 5.15 -1.26 -5.02 115.26 115.82 3i8f n ASN 71 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3i8f n ASN 71 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3i8f n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66