#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i h GLU 5 N 0.00 0.34 0.12 4.33 3.07 -2.06 -3.29 114.58 117.10 3i8i h GLU 5 Ca 0.00 -0.58 -0.01 0.00 -0.50 0.00 0.00 59.36 58.27 3i8i h GLU 5 Cb 0.00 0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3i8i h GLU 5 CO 0.00 1.27 -0.06 0.28 -1.40 0.00 0.00 179.01 179.10 3i8i h VAL 6 N 0.09 0.92 -0.91 3.13 2.07 -2.04 -2.82 116.25 116.69 3i8i h VAL 6 Ca -0.18 -0.14 0.18 0.00 0.82 0.00 0.00 66.70 67.37 3i8i h VAL 6 Cb 2.03 1.01 -0.17 0.00 -1.52 0.00 0.00 31.29 32.64 3i8i h VAL 6 CO 0.22 0.04 -0.24 0.03 0.02 0.00 0.00 177.57 177.63 3i8i h ARG 7 N -0.23 -0.00 0.77 1.57 3.08 -2.01 0.15 114.38 117.71 3i8i h ARG 7 Ca -0.02 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3i8i h ARG 7 Cb 0.18 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.24 3i8i h ARG 7 CO 0.03 -0.00 -0.37 -0.22 -1.07 0.00 0.00 179.97 178.34 3i8i h LYS 8 N -0.00 -0.99 -0.98 0.04 3.64 -1.65 -2.92 116.57 113.70 3i8i h LYS 8 Ca 0.43 0.07 0.30 0.00 -1.27 0.00 0.00 60.65 60.18 3i8i h LYS 8 Cb 0.66 0.23 -0.18 0.00 -0.41 0.00 0.00 32.23 32.53 3i8i h LYS 8 CO -0.94 -0.66 0.15 0.37 -2.27 0.00 0.00 179.45 176.10 3i8i h GLN 9 N -1.11 0.02 0.28 1.90 4.15 -0.79 0.50 115.11 120.06 3i8i h GLN 9 Ca -0.11 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 3i8i h GLN 9 Cb 0.79 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.47 3i8i h GLN 9 CO 0.17 0.01 -0.15 -0.07 -1.93 0.00 0.00 178.83 176.86 3i8i h LEU 10 N 0.02 -0.38 -2.15 -2.39 3.38 -0.66 0.28 115.31 113.42 3i8i h LEU 10 Ca 0.65 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.69 3i8i h LEU 10 Cb 1.45 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 3i8i h LEU 10 CO -0.87 -0.25 0.14 -0.08 0.09 0.00 0.00 178.44 177.47 3i8i h GLU 11 N -0.40 0.00 0.76 1.13 4.57 -1.12 0.30 114.58 119.82 3i8i h GLU 11 Ca -0.04 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 3i8i h GLU 11 Cb 0.31 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3i8i h GLU 11 CO 0.05 0.00 -0.36 1.49 -1.18 0.00 0.00 179.01 179.00 3i8i h GLU 12 N 0.00 -0.98 -0.21 1.92 4.57 0.31 -3.19 114.58 116.99 3i8i h GLU 12 Ca 0.08 0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3i8i h GLU 12 Cb 0.36 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 3i8i h GLU 12 CO -0.00 -0.64 0.12 0.00 -1.18 0.00 0.00 179.01 177.31 3i8i h ALA 13 N -1.06 0.27 -2.17 2.92 0.00 0.37 -3.41 119.26 116.18 3i8i h ALA 13 Ca -0.10 -0.06 -0.59 0.00 0.00 0.00 0.00 54.91 54.15 3i8i h ALA 13 Cb 0.80 -0.08 0.10 0.00 0.00 0.00 0.00 17.79 18.61 3i8i h ALA 13 CO 0.17 -0.20 0.31 0.54 0.00 0.00 0.00 179.25 180.07 3i8i n ARG 14 N -4.89 1.66 -2.82 0.00 1.74 0.98 -3.40 116.66 109.93 3i8i n ARG 14 Ca -0.03 0.58 -0.02 0.00 -0.77 0.00 0.00 57.85 57.61 3i8i n ARG 14 Cb 0.07 -2.06 -0.02 0.00 -1.02 0.00 0.00 32.46 29.43 3i8i n ARG 14 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3i8i n LYS 15 N 0.89 -3.03 0.00 5.56 4.76 -1.26 -4.82 118.16 120.26 3i8i n LYS 15 Ca 0.09 2.45 0.00 0.00 -2.87 0.00 0.00 58.31 57.97 3i8i n LYS 15 Cb 0.33 -3.58 0.00 0.00 -1.84 0.00 0.00 35.03 29.94 3i8i n LYS 15 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3i8i n LEU 16 N 1.66 0.00 -3.68 -0.35 7.94 -1.22 -4.89 117.00 116.46 3i8i n LEU 16 Ca -0.18 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.67 3i8i n LEU 16 Cb 0.34 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.28 3i8i n LEU 16 CO 0.26 0.00 0.72 -0.94 -1.11 0.00 0.00 177.39 176.32 3i8i s SER 17 N 0.00 -0.23 -0.01 1.96 1.04 -1.26 -4.26 113.70 110.94 3i8i s SER 17 Ca 0.00 -0.29 0.08 0.00 0.48 0.00 0.00 55.95 56.22 3i8i s SER 17 Cb 0.00 0.46 -0.12 0.00 0.10 0.00 0.00 66.02 66.46 3i8i s SER 17 CO 0.00 -0.82 0.24 -0.81 0.98 0.00 0.00 173.24 172.83 3i8i n PRO 18 N -0.41 1.59 -0.07 4.02 -0.04 -1.26 -4.53 135.00 134.29 3i8i n PRO 18 Ca -0.07 -0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.48 3i8i n PRO 18 Cb 0.61 -1.10 0.54 0.00 -0.04 0.00 0.00 33.50 33.52 3i8i n PRO 18 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i8i h VAL 19 N 0.00 0.85 -0.03 0.52 2.07 -1.99 0.49 116.25 118.15 3i8i h VAL 19 Ca 0.00 -0.11 -0.20 0.00 0.82 0.00 0.00 66.70 67.21 3i8i h VAL 19 Cb 0.32 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3i8i h VAL 19 CO 0.00 0.06 -0.83 -0.33 0.02 0.00 0.00 177.57 176.49 3i8i h GLU 20 N 0.31 0.37 0.73 1.57 5.08 -1.84 -2.18 114.58 118.62 3i8i h GLU 20 Ca 0.28 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3i8i h GLU 20 Cb 0.67 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 3i8i h GLU 20 CO -0.07 1.01 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.44 3i8i h LEU 21 N 0.23 -1.13 -0.90 1.33 3.38 -0.35 0.13 115.31 118.00 3i8i h LEU 21 Ca -0.05 0.06 0.22 0.00 0.09 0.00 0.00 57.88 58.20 3i8i h LEU 21 Cb 1.43 0.33 -0.17 0.00 0.09 0.00 0.00 40.66 42.34 3i8i h LEU 21 CO 0.14 -0.69 -0.07 1.21 0.09 0.00 0.00 178.44 179.12 3i8i n GLU 22 N -5.26 -0.07 0.38 1.13 4.07 0.32 0.18 120.64 121.39 3i8i n GLU 22 Ca -0.14 1.36 -0.18 0.00 -0.06 0.00 0.00 57.16 58.15 3i8i n GLU 22 Cb 0.46 -2.12 -0.09 0.00 -0.06 0.00 0.00 31.44 29.63 3i8i n GLU 22 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3i8i h LYS 23 N 0.00 -0.94 -0.63 5.31 1.57 -0.75 -2.55 116.57 118.58 3i8i h LYS 23 Ca 0.50 0.06 0.13 0.00 -1.87 0.00 0.00 60.65 59.48 3i8i h LYS 23 Cb 0.96 0.21 -0.10 0.00 0.08 0.00 0.00 32.23 33.38 3i8i h LYS 23 CO -0.87 -0.62 0.03 -0.07 -0.57 0.00 0.00 179.45 177.35 3i8i h LEU 24 N -0.97 -0.22 -0.29 2.94 3.38 0.25 -0.92 115.31 119.48 3i8i h LEU 24 Ca -0.09 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3i8i h LEU 24 Cb 0.76 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 3i8i h LEU 24 CO 0.14 -0.10 -0.08 0.58 0.09 0.00 0.00 178.44 179.07 3i8i h VAL 25 N 0.15 0.69 -1.00 1.22 2.07 -0.75 -0.93 116.25 117.69 3i8i h VAL 25 Ca 0.34 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.05 3i8i h VAL 25 Cb 0.55 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 30.90 3i8i h VAL 25 CO -0.52 0.00 0.61 0.03 0.02 0.00 0.00 177.57 177.71 3i8i h ARG 26 N -0.02 0.68 -0.44 1.57 3.08 -0.75 0.31 114.38 118.82 3i8i h ARG 26 Ca 0.14 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 3i8i h ARG 26 Cb 0.23 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3i8i h ARG 26 CO -0.31 0.45 -0.08 0.93 -1.07 0.00 0.00 179.97 179.89 3i8i h GLU 27 N 0.70 0.83 -0.11 0.04 5.08 -0.82 0.18 114.58 120.48 3i8i h GLU 27 Ca 0.57 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 3i8i h GLU 27 Cb 0.97 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 3i8i h GLU 27 CO -0.36 0.93 -0.04 0.87 -1.00 0.00 0.00 179.01 179.41 3i8i h LYS 28 N 0.66 0.21 -0.77 2.33 1.79 -0.45 0.55 116.57 120.88 3i8i h LYS 28 Ca 0.11 -0.09 0.16 0.00 -2.18 0.00 0.00 60.65 58.65 3i8i h LYS 28 Cb 0.61 -0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.15 3i8i h LYS 28 CO 0.04 0.55 0.28 0.87 -1.08 0.00 0.00 179.45 180.11 3i8i h LYS 29 N -0.13 0.38 0.04 3.15 1.79 -0.30 0.58 116.57 122.08 3i8i h LYS 29 Ca 0.03 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3i8i h LYS 29 Cb 0.48 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 3i8i h LYS 29 CO 0.01 0.25 -0.02 -0.09 -1.08 0.00 0.00 179.45 178.52 3i8i h ARG 30 N 0.39 -0.06 -0.48 3.15 2.43 -0.18 -2.25 114.38 117.39 3i8i h ARG 30 Ca 0.44 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.71 3i8i h ARG 30 Cb 0.72 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.19 3i8i h ARG 30 CO -0.45 0.28 -0.08 0.93 -1.51 0.00 0.00 179.97 179.14 3i8i h GLU 31 N -0.40 0.04 -0.24 0.20 5.08 0.12 -1.79 114.58 117.59 3i8i h GLU 31 Ca -0.01 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3i8i h GLU 31 Cb 0.36 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 3i8i h GLU 31 CO 0.01 0.02 -0.52 1.25 -1.00 0.00 0.00 179.01 178.78 3i8i h LEU 32 N 0.04 -1.68 -0.66 1.33 6.46 0.23 0.14 115.31 121.17 3i8i h LEU 32 Ca 0.24 0.21 0.14 0.00 -0.12 0.00 0.00 57.88 58.35 3i8i h LEU 32 Cb 0.36 0.68 -0.10 0.00 -0.73 0.00 0.00 40.66 40.86 3i8i h LEU 32 CO -0.46 -0.44 0.10 -0.03 -0.62 0.00 0.00 178.44 176.98 3i8i h MET 33 N -0.49 0.20 -0.01 1.25 4.05 -0.73 0.65 114.93 119.85 3i8i h MET 33 Ca 0.06 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3i8i h MET 33 Cb 0.64 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.40 3i8i h MET 33 CO -0.49 0.14 0.01 0.93 0.23 0.00 0.00 176.91 177.72 3i8i h GLU 34 N 0.21 0.00 0.09 0.39 5.08 -0.42 0.16 114.58 120.09 3i8i h GLU 34 Ca 0.36 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.58 3i8i h GLU 34 Cb 0.59 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.85 3i8i h GLU 34 CO -0.49 0.00 -0.59 -0.07 -1.00 0.00 0.00 179.01 176.85 3i8i h LEU 35 N 0.00 0.37 -0.66 1.33 -0.00 0.21 -2.95 115.31 113.61 3i8i h LEU 35 Ca 0.00 -0.92 0.10 0.00 -0.00 0.00 0.00 57.88 57.06 3i8i h LEU 35 Cb 0.02 -0.12 -0.08 0.00 -0.00 0.00 0.00 40.66 40.48 3i8i h LEU 35 CO -0.00 1.26 0.28 0.03 -0.00 0.00 0.00 178.44 180.01 3i8i h ARG 36 N -0.45 0.46 -0.27 1.13 3.08 0.41 0.44 114.38 119.17 3i8i h ARG 36 Ca -0.10 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.94 3i8i h ARG 36 Cb 1.43 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 3i8i h ARG 36 CO 0.11 0.30 0.15 0.74 -1.07 0.00 0.00 179.97 180.20 3i8i h PHE 37 N 0.47 0.28 -0.49 3.04 -1.00 -1.11 0.42 116.94 118.55 3i8i h PHE 37 Ca 0.34 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 61.08 3i8i h PHE 37 Cb 0.41 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.87 3i8i h PHE 37 CO -0.15 0.16 0.14 1.96 -1.61 0.00 0.00 178.31 178.81 3i8i h GLN 38 N 0.31 0.78 0.00 1.51 4.20 -1.04 -0.04 115.11 120.83 3i8i h GLN 38 Ca 0.11 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3i8i h GLN 38 Cb 0.01 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.68 3i8i h GLN 38 CO -0.06 0.74 0.00 0.00 -0.67 0.00 0.00 178.83 178.85 3i8i h ALA 39 N 1.00 1.00 0.02 3.87 0.00 0.07 -2.30 119.26 122.93 3i8i h ALA 39 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3i8i h ALA 39 Cb 0.30 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3i8i h ALA 39 CO -0.00 0.00 -0.65 1.03 0.00 0.00 0.00 179.25 179.63 3i8i h SER 40 N 0.00 0.53 0.00 0.00 0.87 0.12 -1.55 113.55 113.52 3i8i h SER 40 Ca 0.00 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 59.77 3i8i h SER 40 Cb 0.55 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3i8i h SER 40 CO 0.00 1.26 0.00 2.30 -0.53 0.00 0.00 176.83 179.86 3i8i n ILE 41 N -4.20 0.00 0.00 2.23 -6.64 -0.16 -4.85 119.36 105.75 3i8i n ILE 41 Ca -0.11 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.87 3i8i n ILE 41 Cb 0.70 -0.20 0.00 0.00 -1.44 0.00 0.00 39.64 38.70 3i8i n ILE 41 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3i8i n GLY 42 N 0.52 0.23 1.78 3.28 0.00 -0.58 -4.32 105.19 106.10 3i8i n GLY 42 Ca 0.07 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.64 3i8i n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i8i n GLN 43 N 0.00 0.00 -1.47 1.61 1.13 -1.26 -1.93 117.38 115.46 3i8i n GLN 43 Ca 0.00 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 3i8i n GLN 43 Cb 0.00 -0.55 -0.01 0.00 0.11 0.00 0.00 30.24 29.79 3i8i n GLN 43 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3i8i n LEU 44 N 0.83 -1.05 -3.58 1.08 4.77 -1.24 -5.11 117.00 112.70 3i8i n LEU 44 Ca 0.00 -2.21 -0.17 0.00 -0.03 0.00 0.00 56.01 53.61 3i8i n LEU 44 Cb 0.00 0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 3i8i n LEU 44 CO 0.00 1.49 0.34 -0.55 -1.33 0.00 0.00 177.39 177.34 3i8i s SER 45 N -0.95 -0.55 -0.38 -1.43 0.15 -0.81 -4.48 113.70 105.26 3i8i s SER 45 Ca 0.03 0.57 0.03 0.00 0.70 0.00 0.00 55.95 57.28 3i8i s SER 45 Cb 0.13 0.49 0.11 0.00 -1.71 0.00 0.00 66.02 65.04 3i8i s SER 45 CO -0.04 -0.57 0.11 -1.10 1.20 0.00 0.00 173.24 172.84 3i8i s GLN 46 N -1.22 1.45 0.00 5.44 -1.52 -1.26 -4.96 119.66 117.59 3i8i s GLN 46 Ca -0.12 -1.91 0.00 0.00 -1.95 0.00 0.00 55.36 51.38 3i8i s GLN 46 Cb -0.01 -2.98 0.00 0.00 -0.22 0.00 0.00 33.01 29.79 3i8i s GLN 46 CO 0.09 -1.00 0.00 0.09 -0.25 0.00 0.00 175.29 174.22 3i8i n ASN 47 N 4.07 0.00 0.00 5.90 5.03 -1.26 -3.46 115.26 125.53 3i8i n ASN 47 Ca 0.04 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.49 3i8i n ASN 47 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 3i8i n ASN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i8i n HIS 48 N 0.00 0.00 -0.43 3.10 1.44 -1.26 -1.50 115.22 116.57 3i8i n HIS 48 Ca 0.00 0.00 0.38 0.00 -2.01 0.00 0.00 57.72 56.09 3i8i n HIS 48 Cb 0.00 0.00 0.72 0.00 0.12 0.00 0.00 29.99 30.83 3i8i n HIS 48 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3i8i h LYS 49 N 0.00 0.06 0.43 -1.40 1.57 -1.99 -0.85 116.57 114.39 3i8i h LYS 49 Ca 0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3i8i h LYS 49 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3i8i h LYS 49 CO 0.00 0.04 -0.20 -0.84 -0.57 0.00 0.00 179.45 177.88 3i8i h ILE 50 N 0.07 0.00 -0.62 1.86 -0.00 -1.56 -2.39 117.51 114.87 3i8i h ILE 50 Ca 0.70 -0.52 -0.05 0.00 -0.00 0.00 0.00 64.86 64.99 3i8i h ILE 50 Cb 2.58 0.00 -0.03 0.00 -0.00 0.00 0.00 36.82 39.37 3i8i h ILE 50 CO -0.11 0.00 0.20 0.08 -0.00 0.00 0.00 178.15 178.32 3i8i h ARG 51 N -1.09 0.93 -0.74 0.16 0.11 -1.77 0.96 114.38 112.93 3i8i h ARG 51 Ca -0.06 -0.17 0.16 0.00 0.10 0.00 0.00 59.98 60.00 3i8i h ARG 51 Cb 0.44 -0.15 -0.11 0.00 1.11 0.00 0.00 29.97 31.26 3i8i h ARG 51 CO 0.10 0.79 0.21 -0.44 0.10 0.00 0.00 179.97 180.72 3i8i h ASP 52 N 0.90 0.07 -0.22 0.08 5.19 -1.25 0.51 116.42 121.71 3i8i h ASP 52 Ca 0.20 0.14 -0.17 0.00 -0.62 0.00 0.00 57.03 56.58 3i8i h ASP 52 Cb 0.25 0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.93 3i8i h ASP 52 CO -0.01 -0.01 -0.52 0.25 -3.12 0.00 0.00 179.24 175.83 3i8i h LEU 53 N 0.30 0.84 -0.13 1.55 6.46 -0.69 -1.65 115.31 121.99 3i8i h LEU 53 Ca 0.41 -0.56 -0.00 0.00 -0.12 0.00 0.00 57.88 57.61 3i8i h LEU 53 Cb 0.69 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 3i8i h LEU 53 CO -0.48 1.25 0.08 0.11 -0.62 0.00 0.00 178.44 178.77 3i8i h LYS 54 N 0.46 0.17 0.00 1.25 1.57 1.00 0.11 116.57 121.13 3i8i h LYS 54 Ca -0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3i8i h LYS 54 Cb 1.14 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 3i8i h LYS 54 CO 0.11 0.15 -0.01 0.00 -0.57 0.00 0.00 179.45 179.13 3i8i h ARG 55 N 0.15 0.00 -0.16 3.15 3.08 -0.13 -1.35 114.38 119.12 3i8i h ARG 55 Ca 0.05 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 3i8i h ARG 55 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3i8i h ARG 55 CO -0.01 0.01 -0.50 0.37 -1.07 0.00 0.00 179.97 178.77 3i8i h GLN 56 N 0.00 0.62 -0.41 0.04 4.15 -0.65 -1.46 115.11 117.40 3i8i h GLN 56 Ca -0.00 -0.46 -0.08 0.00 0.77 0.00 0.00 58.65 58.89 3i8i h GLN 56 Cb 0.66 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 3i8i h GLN 56 CO 0.00 1.08 -0.06 0.82 -1.93 0.00 0.00 178.83 178.73 3i8i h ILE 57 N 0.28 1.24 -0.21 2.39 2.04 -0.57 -1.87 117.51 120.81 3i8i h ILE 57 Ca -0.02 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 3i8i h ILE 57 Cb 1.13 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3i8i h ILE 57 CO 0.11 0.36 -0.03 0.00 0.00 0.00 0.00 178.15 178.58 3i8i h ALA 58 N 1.29 0.28 -0.68 1.87 0.00 -1.18 -0.45 119.26 120.38 3i8i h ALA 58 Ca 0.12 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.91 3i8i h ALA 58 Cb 0.49 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 3i8i h ALA 58 CO 0.03 0.05 0.25 0.00 0.00 0.00 0.00 179.25 179.58 3i8i h ARG 59 N 0.12 0.41 -0.25 0.00 3.08 -0.86 0.11 114.38 116.99 3i8i h ARG 59 Ca 0.05 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3i8i h ARG 59 Cb 0.47 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3i8i h ARG 59 CO 0.02 0.27 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.11 3i8i h LEU 60 N 0.42 0.44 -1.04 3.04 3.38 -1.19 -2.46 115.31 117.90 3i8i h LEU 60 Ca 0.36 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3i8i h LEU 60 Cb 0.49 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3i8i h LEU 60 CO -0.36 0.65 0.40 -0.07 0.09 0.00 0.00 178.44 179.15 3i8i h LEU 61 N 0.21 0.96 -0.46 1.67 3.38 -0.07 0.31 115.31 121.33 3i8i h LEU 61 Ca 0.07 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3i8i h LEU 61 Cb 0.43 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3i8i h LEU 61 CO 0.01 0.79 0.02 0.71 0.09 0.00 0.00 178.44 180.07 3i8i h THR 62 N 1.08 1.26 -0.18 0.22 1.35 -0.76 0.12 112.91 115.99 3i8i h THR 62 Ca 0.27 -1.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.06 3i8i h THR 62 Cb 0.06 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 3i8i h THR 62 CO -0.04 0.35 -0.18 0.58 -0.25 0.00 0.00 175.52 175.98 3i8i h VAL 63 N 0.64 1.22 -0.59 6.82 2.07 -0.92 0.62 116.25 126.10 3i8i h VAL 63 Ca 0.13 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 3i8i h VAL 63 Cb 0.46 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3i8i h VAL 63 CO 0.02 0.31 0.08 0.25 0.02 0.00 0.00 177.57 178.24 3i8i h LEU 64 N 0.28 0.93 0.17 2.57 6.46 0.32 0.32 115.31 126.35 3i8i h LEU 64 Ca 0.05 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 3i8i h LEU 64 Cb 0.49 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 3i8i h LEU 64 CO 0.03 0.94 -0.08 -1.13 -0.62 0.00 0.00 178.44 177.58 3i8i h ASN 65 N 0.91 -0.19 -0.79 1.25 -1.24 0.76 0.10 115.58 116.38 3i8i h ASN 65 Ca 0.18 -0.13 0.16 0.00 0.71 0.00 0.00 56.30 57.22 3i8i h ASN 65 Cb 0.42 0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.47 3i8i h ASN 65 CO 0.01 0.02 0.53 -0.08 -1.29 0.00 0.00 177.43 176.62 3i8i h GLU 66 N -0.40 0.41 -0.08 6.67 4.81 0.61 1.98 114.58 128.57 3i8i h GLU 66 Ca -0.02 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 3i8i h GLU 66 Cb 0.31 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3i8i h GLU 66 CO 0.04 0.27 -0.24 -0.22 -0.73 0.00 0.00 179.01 178.13 3i8i h LYS 67 N 0.42 0.30 -0.10 1.92 1.63 0.06 -3.21 116.57 117.58 3i8i h LYS 67 Ca 0.39 -0.22 -0.15 0.00 -0.85 0.00 0.00 60.65 59.83 3i8i h LYS 67 Cb 0.92 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.58 3i8i h LYS 67 CO -0.13 0.84 -0.57 0.00 -3.45 0.00 0.00 179.45 176.14 3i8i h ARG 68 N -0.19 0.32 0.00 1.90 3.08 0.79 -3.32 114.38 116.96 3i8i h ARG 68 Ca -0.01 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3i8i h ARG 68 Cb 0.86 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3i8i h ARG 68 CO 0.05 0.80 0.00 -2.13 -1.07 0.00 0.00 179.97 177.62 3i8i n ARG 69 N -3.91 0.00 0.00 0.04 3.00 0.65 -4.33 116.66 112.12 3i8i n ARG 69 Ca -0.02 0.82 0.00 0.00 -0.00 0.00 0.00 57.85 58.64 3i8i n ARG 69 Cb 0.60 -1.38 0.00 0.00 0.00 0.00 0.00 32.46 31.68 3i8i n ARG 69 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3i8i n GLN 70 N -2.40 0.00 0.12 -0.14 7.27 -1.22 -5.02 117.38 115.99 3i8i n GLN 70 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3i8i n GLN 70 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3i8i n GLN 70 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3i8i n ASN 71 N 0.00 -0.03 0.00 1.69 5.15 -1.26 -5.11 115.26 115.70 3i8i n ASN 71 Ca 0.00 0.41 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 3i8i n ASN 71 Cb 0.00 0.30 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 3i8i n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66