#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aei h GLU 2 N 0.00 0.41 -1.00 3.17 5.08 -2.04 -0.77 114.58 119.44 3aei h GLU 2 Ca 0.00 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3aei h GLU 2 Cb 0.00 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 3aei h GLU 2 CO 0.00 0.27 0.66 0.00 -1.00 0.00 0.00 179.01 178.94 3aei h ALA 3 N 1.68 1.33 -0.25 3.43 0.00 -2.03 0.31 119.26 123.72 3aei h ALA 3 Ca 0.31 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 3aei h ALA 3 Cb 0.64 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3aei h ALA 3 CO -0.09 0.59 -0.54 0.28 0.00 0.00 0.00 179.25 179.49 3aei h VAL 4 N 1.30 1.29 -0.72 0.00 2.07 -1.59 -0.75 116.25 117.84 3aei h VAL 4 Ca 0.39 -1.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.13 3aei h VAL 4 Cb -0.06 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3aei h VAL 4 CO -0.11 0.56 0.28 -0.09 0.02 0.00 0.00 177.57 178.23 3aei h ARG 5 N 0.57 1.08 -0.45 1.57 2.43 -1.11 -1.48 114.38 116.99 3aei h ARG 5 Ca 0.00 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 3aei h ARG 5 Cb 1.15 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 3aei h ARG 5 CO 0.12 0.90 0.01 0.00 -1.51 0.00 0.00 179.97 179.49 3aei h ALA 6 N 1.13 0.61 -0.79 2.80 0.00 -0.85 -1.81 119.26 120.35 3aei h ALA 6 Ca 0.24 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3aei h ALA 6 Cb 0.23 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3aei h ALA 6 CO -0.02 0.40 0.48 -0.92 0.00 0.00 0.00 179.25 179.19 3aei h TYR 7 N 0.64 1.04 -0.71 0.00 3.20 -0.79 0.16 116.97 120.51 3aei h TYR 7 Ca 0.13 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3aei h TYR 7 Cb 0.48 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3aei h TYR 7 CO 0.04 0.69 0.43 1.49 -1.64 0.00 0.00 178.16 179.17 3aei h GLU 8 N 1.08 0.97 -0.30 1.82 4.81 -1.13 0.13 114.58 121.97 3aei h GLU 8 Ca 0.28 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 59.28 3aei h GLU 8 Cb -0.05 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 3aei h GLU 8 CO -0.05 0.70 -0.41 -0.07 -0.73 0.00 0.00 179.01 178.44 3aei h LEU 9 N 0.98 0.77 -0.91 1.64 3.38 -0.54 -1.98 115.31 118.65 3aei h LEU 9 Ca 0.26 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3aei h LEU 9 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3aei h LEU 9 CO -0.05 1.08 -0.02 1.56 0.09 0.00 0.00 178.44 181.11 3aei h GLN 10 N 0.59 0.78 -0.50 1.13 4.20 -0.19 -0.09 115.11 121.02 3aei h GLN 10 Ca 0.05 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 3aei h GLN 10 Cb 0.95 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 3aei h GLN 10 CO 0.09 0.80 0.08 1.25 -0.67 0.00 0.00 178.83 180.38 3aei h LEU 11 N 0.72 0.80 -0.51 1.46 6.46 -0.44 -1.13 115.31 122.67 3aei h LEU 11 Ca 0.14 -0.26 -0.09 0.00 -0.12 0.00 0.00 57.88 57.55 3aei h LEU 11 Cb 0.47 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 3aei h LEU 11 CO 0.02 0.86 -0.03 -0.08 -0.62 0.00 0.00 178.44 178.59 3aei h GLU 12 N 0.71 0.92 -0.55 1.25 4.81 -1.07 -2.42 114.58 118.22 3aei h GLU 12 Ca 0.15 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 3aei h GLU 12 Cb 0.40 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3aei h GLU 12 CO 0.01 0.96 0.27 1.25 -0.73 0.00 0.00 179.01 180.77 3aei h LEU 13 N 0.79 0.72 -0.95 1.64 5.85 -0.84 -1.61 115.31 120.91 3aei h LEU 13 Ca 0.14 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3aei h LEU 13 Cb 0.56 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3aei h LEU 13 CO 0.03 0.65 0.35 -0.61 -0.34 0.00 0.00 178.44 178.52 3aei h GLN 14 N 0.75 1.10 -0.33 1.25 -0.00 -1.06 0.85 115.11 117.66 3aei h GLN 14 Ca 0.19 -0.17 -0.14 0.00 -0.00 0.00 0.00 58.65 58.54 3aei h GLN 14 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.39 3aei h GLN 14 CO -0.02 0.86 -0.35 1.96 0.00 0.00 0.00 178.83 181.28 3aei h GLN 15 N 1.09 0.75 -0.32 1.69 4.20 -1.02 -0.73 115.11 120.76 3aei h GLN 15 Ca 0.26 -0.37 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 3aei h GLN 15 Cb 0.14 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3aei h GLN 15 CO -0.03 0.99 -0.04 0.82 -0.67 0.00 0.00 178.83 179.90 3aei h ILE 16 N 0.63 1.27 -0.94 2.54 2.04 -0.93 -2.34 117.51 119.78 3aei h ILE 16 Ca 0.06 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.89 3aei h ILE 16 Cb 0.89 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 3aei h ILE 16 CO 0.08 0.34 0.62 0.03 0.00 0.00 0.00 178.15 179.21 3aei h ARG 17 N 0.38 1.24 -0.55 2.37 3.08 -0.63 -0.43 114.38 119.84 3aei h ARG 17 Ca 0.09 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3aei h ARG 17 Cb 0.51 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3aei h ARG 17 CO 0.02 0.82 0.17 1.15 -1.07 0.00 0.00 179.97 181.07 3aei h THR 18 N 1.27 1.24 -0.42 2.04 2.02 -0.99 0.64 112.91 118.71 3aei h THR 18 Ca 0.34 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 3aei h THR 18 Cb -0.14 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3aei h THR 18 CO -0.07 0.30 0.06 -0.07 0.37 0.00 0.00 175.52 176.11 3aei h LEU 19 N 0.77 0.67 -0.67 2.58 4.07 -1.06 -2.54 115.31 119.14 3aei h LEU 19 Ca 0.18 -0.27 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 3aei h LEU 19 Cb 0.29 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 3aei h LEU 19 CO -0.01 0.77 0.32 -0.09 -1.08 0.00 0.00 178.44 178.35 3aei h ARG 20 N 0.55 0.96 -0.08 1.13 1.12 -0.81 -2.42 114.38 114.83 3aei h ARG 20 Ca 0.13 -0.14 -0.08 0.00 -1.11 0.00 0.00 59.98 58.78 3aei h ARG 20 Cb 0.38 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 3aei h ARG 20 CO 0.01 0.77 -0.30 1.96 -3.11 0.00 0.00 179.97 179.30 3aei h GLN 21 N 0.92 0.15 -0.43 0.20 4.20 -0.78 -0.87 115.11 118.51 3aei h GLN 21 Ca 0.23 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 3aei h GLN 21 Cb 0.12 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3aei h GLN 21 CO -0.03 0.44 -0.29 1.03 -0.67 0.00 0.00 178.83 179.31 3aei h SER 22 N 0.14 0.99 -0.45 1.46 0.87 -1.09 -1.95 113.55 113.52 3aei h SER 22 Ca 0.02 -0.43 -0.13 0.00 -1.23 0.00 0.00 61.79 60.02 3aei h SER 22 Cb 0.60 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3aei h SER 22 CO 0.04 1.21 -0.24 -0.07 -0.53 0.00 0.00 176.83 177.24 3aei h LEU 23 N 0.78 0.99 -1.14 2.23 3.38 -0.97 -2.72 115.31 117.86 3aei h LEU 23 Ca 0.08 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 3aei h LEU 23 Cb 0.88 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3aei h LEU 23 CO 0.08 1.18 0.08 -0.33 0.09 0.00 0.00 178.44 179.54 3aei h GLU 24 N 0.79 0.69 -0.31 1.13 5.08 -1.07 0.03 114.58 120.93 3aei h GLU 24 Ca 0.10 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3aei h GLU 24 Cb 0.82 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3aei h GLU 24 CO 0.07 0.65 0.16 1.25 -1.00 0.00 0.00 179.01 180.14 3aei h LEU 25 N 0.66 0.38 -0.67 1.33 5.85 -1.16 0.31 115.31 122.02 3aei h LEU 25 Ca 0.15 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 3aei h LEU 25 Cb 0.29 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3aei h LEU 25 CO 0.00 0.37 -0.05 0.11 -0.34 0.00 0.00 178.44 178.53 3aei h LYS 26 N 0.37 0.98 -0.56 1.25 1.57 -1.18 -0.89 116.57 118.12 3aei h LYS 26 Ca 0.11 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 3aei h LYS 26 Cb 0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3aei h LYS 26 CO -0.02 0.99 0.22 1.98 -0.57 0.00 0.00 179.45 182.06 3aei h MET 27 N 0.89 0.84 -0.25 3.15 4.05 -0.62 -2.09 114.93 120.90 3aei h MET 27 Ca 0.15 -0.15 -0.11 0.00 -0.28 0.00 0.00 59.70 59.30 3aei h MET 27 Cb 0.59 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 3aei h MET 27 CO 0.04 0.73 -0.33 0.87 0.23 0.00 0.00 176.91 178.45 3aei h LYS 28 N 0.77 0.53 -0.62 0.39 1.57 -0.69 -1.66 116.57 116.86 3aei h LYS 28 Ca 0.19 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3aei h LYS 28 Cb 0.20 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3aei h LYS 28 CO -0.01 0.79 0.02 0.93 -0.57 0.00 0.00 179.45 180.60 3aei h GLU 29 N 0.45 1.09 -0.31 3.15 4.39 -0.91 -1.35 114.58 121.09 3aei h GLU 29 Ca 0.05 -0.34 -0.11 0.00 0.34 0.00 0.00 59.36 59.31 3aei h GLU 29 Cb 0.79 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 3aei h GLU 29 CO 0.06 1.05 -0.26 -0.07 -1.16 0.00 0.00 179.01 178.63 3aei h LEU 30 N 1.00 0.62 -0.82 1.33 3.38 -1.06 -0.59 115.31 119.16 3aei h LEU 30 Ca 0.18 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3aei h LEU 30 Cb 0.54 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3aei h LEU 30 CO 0.03 0.86 0.06 -0.33 0.09 0.00 0.00 178.44 179.14 3aei h GLU 31 N 0.53 0.94 -0.33 1.13 5.08 -1.10 -0.50 114.58 120.33 3aei h GLU 31 Ca 0.07 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 3aei h GLU 31 Cb 0.72 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3aei h GLU 31 CO 0.06 0.89 0.11 -0.92 -1.00 0.00 0.00 179.01 178.15 3aei h TYR 32 N 0.88 0.52 -0.90 4.33 3.20 -0.91 -2.05 116.97 122.03 3aei h TYR 32 Ca 0.17 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.02 3aei h TYR 32 Cb 0.44 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.51 3aei h TYR 32 CO 0.03 0.51 0.59 0.00 -1.64 0.00 0.00 178.16 177.65 3aei h ALA 33 N 0.95 1.17 -0.81 1.82 0.00 -0.80 -2.02 119.26 119.58 3aei h ALA 33 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3aei h ALA 33 Cb 0.23 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3aei h ALA 33 CO -0.01 0.49 0.51 1.49 0.00 0.00 0.00 179.25 181.73 3aei h GLU 34 N 1.18 1.09 -0.89 0.00 4.81 -0.68 0.07 114.58 120.16 3aei h GLU 34 Ca 0.35 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 3aei h GLU 34 Cb -0.06 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.04 3aei h GLU 34 CO -0.10 0.75 0.59 0.78 -0.73 0.00 0.00 179.01 180.30 3aei h GLY 35 N 1.10 1.26 0.76 1.92 0.00 -0.67 -1.27 103.07 106.18 3aei h GLY 35 Ca 0.29 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 3aei h GLY 35 CO -0.06 0.42 -0.32 -2.22 0.00 0.00 0.00 176.54 174.36 3aei h ILE 36 N 1.16 1.39 -0.12 2.60 2.04 -1.07 -2.97 117.51 120.54 3aei h ILE 36 Ca 0.34 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 3aei h ILE 36 Cb -0.06 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3aei h ILE 36 CO -0.09 0.48 -0.02 0.40 0.00 0.00 0.00 178.15 178.92 3aei h ILE 37 N -0.02 1.10 -0.60 -0.67 2.04 -0.72 -1.39 117.51 117.26 3aei h ILE 37 Ca -0.01 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3aei h ILE 37 Cb 0.94 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3aei h ILE 37 CO 0.07 0.12 0.00 0.35 0.00 0.00 0.00 178.15 178.69 3aei n THR 38 N -4.41 0.79 -1.68 -0.27 -2.24 -0.50 -4.94 114.28 101.02 3aei n THR 38 Ca -0.01 -0.80 -0.30 0.00 -2.27 0.00 0.00 64.05 60.66 3aei n THR 38 Cb 0.17 0.42 0.22 0.00 -2.10 0.00 0.00 70.33 69.04 3aei n THR 38 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3aei s SER 39 N -1.02 2.13 0.19 3.42 1.04 -0.52 -5.00 113.70 113.94 3aei s SER 39 Ca 0.40 0.25 -0.06 0.00 0.48 0.00 0.00 55.95 57.02 3aei s SER 39 Cb 0.21 -0.25 0.12 0.00 0.10 0.00 0.00 66.02 66.20 3aei s SER 39 CO 0.28 -3.34 1.58 0.25 0.98 0.00 0.00 173.24 172.99 3aei h LEU 40 N -2.06 0.85 -9.07 2.42 5.85 -1.92 -3.45 115.31 107.93 3aei h LEU 40 Ca -0.43 -0.33 -0.77 0.00 0.84 0.00 0.00 57.88 57.18 3aei h LEU 40 Cb 1.23 -0.23 0.04 0.00 0.37 0.00 0.00 40.66 42.07 3aei h LEU 40 CO 0.31 1.07 0.29 1.17 -0.34 0.00 0.00 178.44 180.93 3aei n LYS 41 N -4.09 0.33 0.23 1.25 4.81 -1.26 -4.86 118.16 114.56 3aei n LYS 41 Ca -0.00 0.12 -0.15 0.00 -0.87 0.00 0.00 58.31 57.40 3aei n LYS 41 Cb 0.47 -1.66 -0.08 0.00 0.02 0.00 0.00 35.03 33.77 3aei n LYS 41 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3aei h SER 42 N 3.88 -0.46 -3.12 3.14 4.64 -2.01 -3.43 113.55 116.19 3aei h SER 42 Ca -0.49 -0.02 -0.67 0.00 -0.47 0.00 0.00 61.79 60.14 3aei h SER 42 Cb 1.39 0.12 -0.34 0.00 -0.31 0.00 0.00 62.40 63.26 3aei h SER 42 CO 0.74 -0.28 -0.86 -1.61 -0.87 0.00 0.00 176.83 173.96 3aei s GLU 43 N -5.85 3.02 -0.04 4.77 8.01 -1.26 -5.06 118.70 122.28 3aei s GLU 43 Ca -0.16 -0.83 -0.02 0.00 0.01 0.00 0.00 54.97 53.97 3aei s GLU 43 Cb 0.04 -2.54 0.03 0.00 -4.31 0.00 0.00 34.13 27.35 3aei s GLU 43 CO 0.62 -0.14 0.06 1.03 0.01 0.00 0.00 175.26 176.85 3aei s ARG 44 N 1.12 -0.07 0.48 1.61 0.52 -1.26 -5.14 118.95 116.21 3aei s ARG 44 Ca 0.01 0.38 -0.21 0.00 -0.52 0.00 0.00 55.73 55.39 3aei s ARG 44 Cb -0.14 -0.51 -0.09 0.00 0.52 0.00 0.00 34.95 34.73 3aei s ARG 44 CO -0.09 -0.33 1.04 1.03 0.02 0.00 0.00 175.30 176.97 3aei s ARG 45 N 2.18 3.84 -0.01 3.54 0.52 -1.26 -4.91 118.95 122.85 3aei s ARG 45 Ca 0.05 1.38 0.02 0.00 -0.52 0.00 0.00 55.73 56.66 3aei s ARG 45 Cb -0.12 -2.14 -0.00 0.00 0.52 0.00 0.00 34.95 33.20 3aei s ARG 45 CO -0.03 -0.40 -0.08 0.42 0.02 0.00 0.00 175.30 175.23 3aei s ILE 46 N -1.94 0.60 0.11 1.52 1.01 -1.26 -5.09 121.20 116.16 3aei s ILE 46 Ca 0.66 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 61.07 3aei s ILE 46 Cb -0.17 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 3aei s ILE 46 CO 0.21 0.17 -0.21 -0.31 0.00 0.00 0.00 174.94 174.80 3aei s TYR 47 N -0.14 1.79 -0.05 3.97 2.02 -1.26 -0.85 117.35 122.83 3aei s TYR 47 Ca 0.02 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.35 3aei s TYR 47 Cb -0.03 -0.97 -0.02 0.00 -0.40 0.00 0.00 41.96 40.53 3aei s TYR 47 CO -0.00 0.22 -0.19 0.50 -1.57 0.00 0.00 175.55 174.50 3aei s ARG 48 N -1.99 2.50 -0.12 -0.62 3.52 -0.02 -4.89 118.95 117.33 3aei s ARG 48 Ca 0.07 -0.80 -0.18 0.00 -0.13 0.00 0.00 55.73 54.69 3aei s ARG 48 Cb -0.10 -2.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.98 3aei s ARG 48 CO 0.04 0.51 0.46 0.00 -0.81 0.00 0.00 175.30 175.51 3aei s ALA 49 N -0.47 3.49 -0.30 6.12 0.00 -1.26 -0.73 121.76 128.61 3aei s ALA 49 Ca 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 3aei s ALA 49 Cb -0.12 -2.62 0.09 0.00 0.00 0.00 0.00 23.12 20.47 3aei s ALA 49 CO 0.01 0.02 0.08 -0.06 0.00 0.00 0.00 175.76 175.81 3aei s PHE 50 N 0.59 1.90 0.00 0.00 0.08 -0.04 -5.00 117.98 115.50 3aei s PHE 50 Ca 0.25 -1.79 0.00 0.00 0.12 0.00 0.00 56.93 55.51 3aei s PHE 50 Cb -0.15 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 3aei s PHE 50 CO 0.10 -0.86 0.00 0.45 -0.10 0.00 0.00 175.22 174.81 3aei n SER 51 N 4.79 0.00 -1.54 1.36 2.88 -1.26 -1.17 113.62 118.68 3aei n SER 51 Ca -0.03 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.57 3aei n SER 51 Cb 0.43 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.19 3aei n SER 51 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3aei n ASP 52 N 5.98 4.54 -4.45 -3.46 5.75 -1.26 -4.89 116.55 118.76 3aei n ASP 52 Ca 0.00 -2.66 -0.30 0.00 -0.01 0.00 0.00 54.79 51.82 3aei n ASP 52 Cb 0.00 -0.62 -0.12 0.00 -1.03 0.00 0.00 41.12 39.34 3aei n ASP 52 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3aei s LEU 53 N -2.04 2.55 -0.14 -2.12 1.43 -0.32 -5.11 118.68 112.92 3aei s LEU 53 Ca 0.42 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3aei s LEU 53 Cb 0.31 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 45.08 3aei s LEU 53 CO 0.13 0.21 -0.20 -0.76 0.23 0.00 0.00 176.35 175.97 3aei s LEU 54 N -1.80 2.24 -0.08 1.79 1.43 -1.26 -0.86 118.68 120.14 3aei s LEU 54 Ca 0.16 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 3aei s LEU 54 Cb -0.10 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 3aei s LEU 54 CO 0.07 0.09 -0.24 -0.69 0.23 0.00 0.00 176.35 175.80 3aei s VAL 55 N 0.79 2.03 0.24 -1.59 1.01 0.09 -4.89 120.40 118.09 3aei s VAL 55 Ca -0.07 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 3aei s VAL 55 Cb -0.16 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.39 3aei s VAL 55 CO -0.01 0.56 1.36 -0.70 0.00 0.00 0.00 175.10 176.31 3aei s GLU 56 N 0.14 4.34 0.18 2.72 2.12 -1.26 -0.84 118.70 126.10 3aei s GLU 56 Ca -0.13 2.17 0.04 0.00 0.36 0.00 0.00 54.97 57.41 3aei s GLU 56 Cb -0.16 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 3aei s GLU 56 CO 0.07 -0.30 -0.05 0.96 -0.54 0.00 0.00 175.26 175.40 3aei s ILE 57 N -0.18 1.02 0.66 -3.70 -4.36 -0.03 -4.89 121.20 109.72 3aei s ILE 57 Ca 0.56 -2.03 -0.07 0.00 -0.26 0.00 0.00 60.65 58.85 3aei s ILE 57 Cb -0.39 -2.05 0.04 0.00 1.25 0.00 0.00 42.46 41.30 3aei s ILE 57 CO 0.43 -0.56 0.98 0.42 0.24 0.00 0.00 174.94 176.44 3aei s THR 58 N -3.43 2.87 0.17 8.37 -4.23 -1.26 -4.10 115.64 114.03 3aei s THR 58 Ca 0.22 -0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.46 3aei s THR 58 Cb 0.04 -3.20 0.06 0.00 1.34 0.00 0.00 72.50 70.74 3aei s THR 58 CO 0.04 -0.21 1.76 0.50 -0.54 0.00 0.00 174.62 176.16 3aei h LYS 59 N -0.44 0.34 -0.66 3.99 3.64 -1.96 0.28 116.57 121.76 3aei h LYS 59 Ca -0.45 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.88 3aei h LYS 59 Cb 1.29 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 3aei h LYS 59 CO 0.61 0.22 0.29 -0.44 -2.27 0.00 0.00 179.45 177.86 3aei h ASP 60 N 0.35 0.85 -0.35 4.20 3.45 -1.99 -0.45 116.42 122.48 3aei h ASP 60 Ca 0.20 -0.10 -0.13 0.00 0.43 0.00 0.00 57.03 57.43 3aei h ASP 60 Cb 0.18 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 3aei h ASP 60 CO -0.19 0.74 -0.25 -0.33 -1.57 0.00 0.00 179.24 177.63 3aei h GLU 61 N 0.93 0.85 -0.39 3.56 5.08 -1.78 -1.53 114.58 121.32 3aei h GLU 61 Ca 0.23 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3aei h GLU 61 Cb 0.13 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3aei h GLU 61 CO -0.03 1.01 0.09 0.00 -1.00 0.00 0.00 179.01 179.09 3aei h ALA 62 N 0.97 0.51 -0.71 3.43 0.00 -0.42 -0.91 119.26 122.14 3aei h ALA 62 Ca 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3aei h ALA 62 Cb 0.80 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3aei h ALA 62 CO 0.07 0.19 0.28 0.82 0.00 0.00 0.00 179.25 180.60 3aei h ILE 63 N 0.48 1.25 -0.65 0.00 2.04 -0.99 -0.91 117.51 118.73 3aei h ILE 63 Ca 0.12 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3aei h ILE 63 Cb 0.31 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3aei h ILE 63 CO 0.00 0.31 0.43 -0.33 0.00 0.00 0.00 178.15 178.56 3aei h GLU 64 N 1.02 0.86 -0.53 2.37 5.08 -0.96 -0.15 114.58 122.26 3aei h GLU 64 Ca 0.24 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3aei h GLU 64 Cb 0.22 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3aei h GLU 64 CO -0.02 0.58 0.23 1.25 -1.00 0.00 0.00 179.01 180.04 3aei h HIS 65 N 0.88 0.79 -0.37 4.33 2.76 -0.84 -0.78 115.15 121.92 3aei h HIS 65 Ca 0.24 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 3aei h HIS 65 Cb -0.09 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.61 3aei h HIS 65 CO -0.03 0.64 0.15 0.82 -1.30 0.00 0.00 177.93 178.21 3aei h ILE 66 N 0.72 1.19 -0.64 6.26 2.04 -0.65 -0.11 117.51 126.31 3aei h ILE 66 Ca 0.18 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.35 3aei h ILE 66 Cb 0.17 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3aei h ILE 66 CO -0.02 0.21 0.07 -0.33 0.00 0.00 0.00 178.15 178.09 3aei h GLU 67 N 0.46 1.09 -0.19 2.37 4.39 -0.84 0.01 114.58 121.85 3aei h GLU 67 Ca 0.12 -0.31 -0.14 0.00 0.34 0.00 0.00 59.36 59.37 3aei h GLU 67 Cb 0.20 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3aei h GLU 67 CO -0.01 1.02 -0.47 0.00 -1.16 0.00 0.00 179.01 178.39 3aei h ARG 68 N 1.00 0.51 -0.37 2.33 3.08 -1.00 -2.59 114.38 117.33 3aei h ARG 68 Ca 0.19 -0.28 -0.16 0.00 0.07 0.00 0.00 59.98 59.79 3aei h ARG 68 Cb 0.48 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3aei h ARG 68 CO 0.02 0.87 -0.41 0.77 -1.07 0.00 0.00 179.97 180.15 3aei h SER 69 N 0.40 1.01 -0.65 7.04 0.02 -0.82 -2.72 113.55 117.83 3aei h SER 69 Ca 0.02 -0.47 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 3aei h SER 69 Cb 0.98 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 3aei h SER 69 CO 0.09 1.28 0.35 0.03 -1.14 0.00 0.00 176.83 177.43 3aei h ARG 70 N 0.76 0.94 -0.40 3.45 3.08 -0.90 0.17 114.38 121.47 3aei h ARG 70 Ca 0.05 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3aei h ARG 70 Cb 1.01 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 3aei h ARG 70 CO 0.10 0.71 0.13 1.25 -1.07 0.00 0.00 179.97 181.09 3aei h LEU 71 N 0.94 0.58 -0.30 3.04 5.85 -1.35 0.45 115.31 124.52 3aei h LEU 71 Ca 0.24 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3aei h LEU 71 Cb 0.06 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3aei h LEU 71 CO -0.03 0.62 0.07 0.58 -0.34 0.00 0.00 178.44 179.34 3aei h VAL 72 N 0.50 1.22 -0.30 1.05 2.07 -1.14 -2.04 116.25 117.62 3aei h VAL 72 Ca 0.13 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 3aei h VAL 72 Cb 0.25 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3aei h VAL 72 CO -0.01 0.24 -0.13 1.88 0.02 0.00 0.00 177.57 179.58 3aei h TYR 73 N 0.32 0.70 -0.68 1.57 0.05 -0.43 -1.88 116.97 116.62 3aei h TYR 73 Ca 0.09 -0.17 0.08 0.00 0.05 0.00 0.00 58.73 58.79 3aei h TYR 73 Cb 0.30 -0.16 -0.07 0.00 1.01 0.00 0.00 36.73 37.81 3aei h TYR 73 CO 0.02 0.83 0.34 0.87 -1.05 0.00 0.00 178.16 179.17 3aei h LYS 74 N 0.37 0.58 -0.24 4.88 1.57 -0.04 0.18 116.57 123.86 3aei h LYS 74 Ca 0.07 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3aei h LYS 74 Cb 0.64 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3aei h LYS 74 CO 0.04 0.38 0.09 -0.09 -0.57 0.00 0.00 179.45 179.30 3aei h ARG 75 N 0.60 0.37 -0.73 3.15 2.43 -1.27 0.67 114.38 119.60 3aei h ARG 75 Ca 0.33 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 3aei h ARG 75 Cb 0.32 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3aei h ARG 75 CO -0.25 0.43 0.21 0.93 -1.51 0.00 0.00 179.97 179.78 3aei h GLU 76 N 0.23 1.15 -0.40 0.20 5.08 -0.79 -1.71 114.58 118.33 3aei h GLU 76 Ca 0.08 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 3aei h GLU 76 Cb 0.21 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3aei h GLU 76 CO -0.00 0.99 -0.03 0.82 -1.00 0.00 0.00 179.01 179.78 3aei h ILE 77 N 1.09 1.27 -0.88 3.13 2.04 -0.52 -1.24 117.51 122.40 3aei h ILE 77 Ca 0.23 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 3aei h ILE 77 Cb 0.33 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3aei h ILE 77 CO -0.00 0.36 0.46 -0.33 0.00 0.00 0.00 178.15 178.64 3aei h GLU 78 N 0.56 1.23 -0.52 2.37 5.08 -0.63 0.69 114.58 123.35 3aei h GLU 78 Ca 0.11 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 3aei h GLU 78 Cb 0.53 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3aei h GLU 78 CO 0.03 0.92 -0.10 0.87 -1.00 0.00 0.00 179.01 179.73 3aei h LYS 79 N 1.23 0.96 -0.22 2.33 1.57 -1.11 -1.70 116.57 119.64 3aei h LYS 79 Ca 0.31 -0.34 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 3aei h LYS 79 Cb 0.05 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3aei h LYS 79 CO -0.05 1.01 -0.60 -0.07 -0.57 0.00 0.00 179.45 179.17 3aei h LEU 80 N 0.86 0.83 -1.37 2.94 3.38 -0.84 -2.69 115.31 118.42 3aei h LEU 80 Ca 0.14 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 3aei h LEU 80 Cb 0.64 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3aei h LEU 80 CO 0.04 1.24 -0.15 0.11 0.09 0.00 0.00 178.44 179.77 3aei h LYS 81 N 0.55 0.22 -0.16 1.13 1.57 -0.74 -0.01 116.57 119.15 3aei h LYS 81 Ca -0.00 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 3aei h LYS 81 Cb 1.19 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 3aei h LYS 81 CO 0.12 0.39 -0.54 -0.22 -0.57 0.00 0.00 179.45 178.63 3aei h LYS 82 N 0.21 0.46 -0.39 3.15 3.11 -1.17 -0.34 116.57 121.61 3aei h LYS 82 Ca 0.04 -0.29 -0.12 0.00 -2.81 0.00 0.00 60.65 57.47 3aei h LYS 82 Cb 0.41 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.65 3aei h LYS 82 CO 0.03 0.89 -0.24 0.00 -2.81 0.00 0.00 179.45 177.31 3aei h ARG 83 N 0.36 0.80 -0.50 1.90 3.08 -1.03 -1.98 114.38 117.01 3aei h ARG 83 Ca 0.01 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 3aei h ARG 83 Cb 1.06 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 3aei h ARG 83 CO 0.10 0.96 0.06 0.93 -1.07 0.00 0.00 179.97 180.95 3aei h GLU 84 N 0.70 0.79 -0.01 0.04 5.08 -0.72 -2.31 114.58 118.14 3aei h GLU 84 Ca 0.09 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3aei h GLU 84 Cb 0.77 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3aei h GLU 84 CO 0.06 0.76 0.01 -0.22 -1.00 0.00 0.00 179.01 178.62 3aei h LYS 85 N 0.75 0.02 -0.21 2.33 1.63 -0.68 -0.40 116.57 120.00 3aei h LYS 85 Ca 0.16 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.98 3aei h LYS 85 Cb 0.37 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 3aei h LYS 85 CO 0.01 0.05 0.05 0.93 -3.45 0.00 0.00 179.45 177.04 3aei h GLU 86 N -0.02 0.14 -0.44 1.90 5.08 -1.14 -1.85 114.58 118.25 3aei h GLU 86 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3aei h GLU 86 Cb 0.03 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3aei h GLU 86 CO -0.00 0.09 0.21 0.82 -1.00 0.00 0.00 179.01 179.13 3aei h ILE 87 N 0.14 1.18 -0.39 3.13 2.04 -1.30 -1.15 117.51 121.16 3aei h ILE 87 Ca 0.09 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.45 3aei h ILE 87 Cb 0.08 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3aei h ILE 87 CO -0.11 0.20 0.26 0.24 0.00 0.00 0.00 178.15 178.73 3aei h MET 88 N 0.57 0.50 -0.38 2.37 2.86 -0.79 0.65 114.93 120.71 3aei h MET 88 Ca 0.15 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.61 3aei h MET 88 Cb 0.12 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3aei h MET 88 CO -0.02 0.33 -0.36 0.93 1.06 0.00 0.00 176.91 178.85 3aei h GLU 89 N 0.51 0.92 -0.31 1.72 5.08 -0.74 -1.45 114.58 120.31 3aei h GLU 89 Ca 0.14 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 3aei h GLU 89 Cb -0.04 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3aei h GLU 89 CO -0.03 1.13 0.13 0.93 -1.00 0.00 0.00 179.01 180.17 3aei h GLU 90 N 0.74 0.46 -0.62 2.33 5.08 -0.01 -0.98 114.58 121.58 3aei h GLU 90 Ca 0.06 -0.08 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3aei h GLU 90 Cb 0.95 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 3aei h GLU 90 CO 0.09 0.47 0.41 -0.07 -1.00 0.00 0.00 179.01 178.91 3aei h LEU 91 N 0.35 0.50 -0.31 1.33 3.38 -0.81 -1.77 115.31 117.98 3aei h LEU 91 Ca 0.10 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 3aei h LEU 91 Cb 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3aei h LEU 91 CO -0.01 0.32 -0.56 -1.28 0.09 0.00 0.00 178.44 177.00 3aei h SER 92 N 0.56 0.95 0.62 -0.43 0.87 -0.46 -3.06 113.55 112.60 3aei h SER 92 Ca 0.27 -0.51 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 3aei h SER 92 Cb 0.35 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3aei h SER 92 CO -0.08 1.31 -0.04 0.11 -0.53 0.00 0.00 176.83 177.59 3aei h LYS 93 N 0.65 0.00 0.00 2.24 1.57 -0.34 -3.51 116.57 117.17 3aei h LYS 93 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3aei h LYS 93 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3aei h LYS 93 CO 0.12 0.04 0.00 1.28 -0.57 0.00 0.00 179.45 180.33