#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j6y h ARG 4 N 0.00 0.00 0.00 -4.13 -0.00 -2.00 -0.77 114.38 107.48 2j6y h ARG 4 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2j6y h ARG 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 2j6y h ARG 4 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 179.97 180.90 2j6y h GLU 5 N 0.00 0.00 0.00 0.04 5.08 -2.06 -3.35 114.58 114.29 2j6y h GLU 5 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2j6y h GLU 5 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2j6y h GLU 5 CO 0.00 0.00 -0.00 1.33 -1.00 0.00 0.00 179.01 179.34 2j6y n VAL 6 N -2.39 0.00 -0.31 3.13 0.24 -0.74 -4.87 118.33 113.40 2j6y n VAL 6 Ca 0.05 -0.35 -0.02 0.00 -2.04 0.00 0.00 64.34 61.98 2j6y n VAL 6 Cb 0.44 1.00 0.11 0.00 -1.47 0.00 0.00 33.84 33.92 2j6y n VAL 6 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 2j6y h ILE 7 N 0.00 1.14 -0.28 1.34 2.10 -1.30 -0.71 117.51 119.80 2j6y h ILE 7 Ca 0.00 -0.36 -0.07 0.00 1.08 0.00 0.00 64.86 65.50 2j6y h ILE 7 Cb 0.00 -0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 35.71 2j6y h ILE 7 CO 0.00 0.19 -0.11 -0.33 -1.08 0.00 0.00 178.15 176.82 2j6y h GLU 8 N 1.06 0.57 -0.41 2.19 5.08 -1.86 0.61 114.58 121.81 2j6y h GLU 8 Ca 0.34 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2j6y h GLU 8 Cb 0.01 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2j6y h GLU 8 CO -0.11 0.80 0.25 0.37 -1.00 0.00 0.00 179.01 179.31 2j6y h GLN 9 N 0.31 0.56 -0.74 2.33 -0.00 -1.83 0.04 115.11 115.78 2j6y h GLN 9 Ca 0.06 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.67 2j6y h GLN 9 Cb 0.62 -0.12 -0.04 0.00 0.00 0.00 0.00 27.48 27.95 2j6y h GLN 9 CO 0.04 0.42 0.49 0.00 0.00 0.00 0.00 178.83 179.77 2j6y h ARG 10 N 0.54 0.97 -0.38 1.69 2.47 -0.89 -1.92 114.38 116.86 2j6y h ARG 10 Ca 0.15 -0.06 -0.15 0.00 -1.26 0.00 0.00 59.98 58.65 2j6y h ARG 10 Cb 0.01 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.10 2j6y h ARG 10 CO -0.03 0.65 -0.37 -0.92 0.56 0.00 0.00 179.97 179.86 2j6y h TYR 11 N 1.00 1.08 -0.38 3.04 3.20 -0.53 -0.17 116.97 124.22 2j6y h TYR 11 Ca 0.27 -0.32 0.06 0.00 3.14 0.00 0.00 58.73 61.88 2j6y h TYR 11 Cb -0.11 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 37.88 2j6y h TYR 11 CO -0.02 1.13 0.06 1.25 -1.64 0.00 0.00 178.16 178.95 2j6y h HIS 12 N 0.75 0.10 0.10 -3.82 2.76 -0.65 0.15 115.15 114.55 2j6y h HIS 12 Ca 0.07 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2j6y h HIS 12 Cb 0.95 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.92 2j6y h HIS 12 CO 0.06 0.00 -0.05 0.37 -1.30 0.00 0.00 177.93 177.01 2j6y h GLN 13 N 0.19 -0.13 -0.23 5.26 4.15 -1.21 -0.78 115.11 122.35 2j6y h GLN 13 Ca 0.18 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 2j6y h GLN 13 Cb 0.22 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2j6y h GLN 13 CO -0.25 0.12 0.09 -0.07 -1.93 0.00 0.00 178.83 176.79 2j6y h LEU 14 N -0.37 0.33 -0.15 -2.39 3.38 -0.83 -1.35 115.31 113.92 2j6y h LEU 14 Ca -0.01 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2j6y h LEU 14 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2j6y h LEU 14 CO 0.02 0.41 0.08 0.25 0.09 0.00 0.00 178.44 179.30 2j6y h LEU 15 N 0.22 0.20 -0.71 1.67 5.85 -0.71 -1.86 115.31 119.97 2j6y h LEU 15 Ca 0.08 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2j6y h LEU 15 Cb 0.19 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2j6y h LEU 15 CO -0.01 0.24 0.29 0.77 -0.34 0.00 0.00 178.44 179.40 2j6y h SER 16 N 0.14 0.97 -0.41 1.25 4.64 -1.09 -1.28 113.55 117.76 2j6y h SER 16 Ca 0.05 -0.17 0.03 0.00 -0.47 0.00 0.00 61.79 61.24 2j6y h SER 16 Cb 0.09 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.90 2j6y h SER 16 CO -0.01 0.87 0.20 -0.09 -0.87 0.00 0.00 176.83 176.94 2j6y h ARG 17 N 1.01 0.40 -0.42 4.77 9.65 -1.19 -0.00 114.38 128.59 2j6y h ARG 17 Ca 0.24 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 2j6y h ARG 17 Cb 0.20 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 2j6y h ARG 17 CO -0.02 0.26 0.25 -0.92 2.80 0.00 0.00 179.97 182.34 2j6y h TYR 18 N 0.41 0.56 -0.82 2.20 3.20 -0.85 0.20 116.97 121.87 2j6y h TYR 18 Ca 0.18 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 2j6y h TYR 18 Cb 0.09 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 2j6y h TYR 18 CO -0.10 0.41 0.36 0.82 -1.64 0.00 0.00 178.16 178.00 2j6y h ILE 19 N 0.56 1.26 -0.14 1.81 2.04 -1.10 0.54 117.51 122.48 2j6y h ILE 19 Ca 0.15 -0.79 -0.16 0.00 1.00 0.00 0.00 64.86 65.06 2j6y h ILE 19 Cb 0.01 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2j6y h ILE 19 CO -0.03 0.33 -0.58 0.00 0.00 0.00 0.00 178.15 177.88 2j6y h ALA 20 N 1.20 0.74 0.03 1.87 0.00 -0.70 -3.38 119.26 119.03 2j6y h ALA 20 Ca 0.28 -0.53 -0.39 0.00 0.00 0.00 0.00 54.91 54.28 2j6y h ALA 20 Cb 0.18 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2j6y h ALA 20 CO -0.03 0.70 -2.34 0.39 0.00 0.00 0.00 179.25 177.97 2j6y n GLU 21 N -3.93 0.67 -2.98 0.00 -0.58 0.67 -5.00 120.64 109.50 2j6y n GLU 21 Ca -0.03 0.20 -0.20 0.00 -0.42 0.00 0.00 57.16 56.71 2j6y n GLU 21 Cb 0.61 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 2j6y n GLU 21 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2j6y n LEU 22 N -3.42 -1.70 -4.98 -4.62 4.77 0.19 -4.99 117.00 102.25 2j6y n LEU 22 Ca -0.43 -0.18 -0.20 0.00 -0.03 0.00 0.00 56.01 55.17 2j6y n LEU 22 Cb 0.99 -2.35 0.01 0.00 -2.33 0.00 0.00 43.42 39.74 2j6y n LEU 22 CO 0.28 0.07 0.22 0.42 -1.33 0.00 0.00 177.39 177.05 2j6y s THR 23 N -2.90 3.48 0.16 -5.08 -4.23 -1.26 -4.99 115.64 100.82 2j6y s THR 23 Ca 0.24 -0.77 0.08 0.00 -1.18 0.00 0.00 61.69 60.07 2j6y s THR 23 Cb -0.12 -3.24 -0.15 0.00 1.34 0.00 0.00 72.50 70.32 2j6y s THR 23 CO 0.30 -0.14 1.38 0.11 -0.54 0.00 0.00 174.62 175.74 2j6y h LYS 24 N 0.49 0.00 -0.51 3.99 1.79 -1.98 -1.23 116.57 119.12 2j6y h LYS 24 Ca -0.44 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 57.97 2j6y h LYS 24 Cb 1.27 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.90 2j6y h LYS 24 CO 0.52 0.88 0.07 1.15 -1.08 0.00 0.00 179.45 180.98 2j6y h THR 25 N 0.00 1.25 -0.23 -0.16 2.02 -1.99 0.15 112.91 113.96 2j6y h THR 25 Ca -0.01 -0.97 -0.05 0.00 0.77 0.00 0.00 66.41 66.15 2j6y h THR 25 Cb 1.56 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 2j6y h THR 25 CO 0.11 0.35 -0.04 0.77 0.37 0.00 0.00 175.52 177.08 2j6y h SER 26 N 0.74 0.43 -0.74 4.18 4.64 -1.93 -2.97 113.55 117.89 2j6y h SER 26 Ca 0.15 -0.35 0.11 0.00 -0.47 0.00 0.00 61.79 61.24 2j6y h SER 26 Cb 0.43 -0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 62.32 2j6y h SER 26 CO 0.01 0.68 0.35 0.25 -0.87 0.00 0.00 176.83 177.26 2j6y h LEU 27 N 0.18 0.42 -1.89 5.97 5.85 -1.12 -2.65 115.31 122.07 2j6y h LEU 27 Ca 0.06 0.08 0.14 0.00 0.84 0.00 0.00 57.88 59.00 2j6y h LEU 27 Cb 0.48 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2j6y h LEU 27 CO 0.02 0.22 0.38 0.22 -0.34 0.00 0.00 178.44 178.94 2j6y h TYR 28 N 0.56 0.13 -0.06 1.25 3.20 -0.54 -0.66 116.97 120.86 2j6y h TYR 28 Ca 0.38 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.27 2j6y h TYR 28 Cb 0.47 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 2j6y h TYR 28 CO -0.12 0.05 0.07 1.96 -1.64 0.00 0.00 178.16 178.49 2j6y h GLN 29 N 0.12 0.00 -0.98 1.82 1.08 -1.40 -0.69 115.11 115.06 2j6y h GLN 29 Ca 0.26 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.49 2j6y h GLN 29 Cb 0.88 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.25 2j6y h GLN 29 CO -0.03 0.00 0.64 0.00 -0.95 0.00 0.00 178.83 178.49 2j6y h ALA 30 N 1.91 1.27 -0.13 3.87 0.00 -1.27 0.24 119.26 125.15 2j6y h ALA 30 Ca 0.03 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2j6y h ALA 30 Cb 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2j6y h ALA 30 CO -0.00 0.56 -0.51 1.96 0.00 0.00 0.00 179.25 181.27 2j6y h GLN 31 N 1.27 0.34 -0.43 0.00 4.20 -1.29 -1.32 115.11 117.87 2j6y h GLN 31 Ca 0.38 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 2j6y h GLN 31 Cb -0.06 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2j6y h GLN 31 CO -0.11 0.77 -0.06 0.87 -0.67 0.00 0.00 178.83 179.63 2j6y h LYS 32 N 0.27 0.80 -0.23 1.46 1.57 -1.18 -2.88 116.57 116.38 2j6y h LYS 32 Ca 0.01 -0.29 0.05 0.00 -1.87 0.00 0.00 60.65 58.55 2j6y h LYS 32 Cb 0.99 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.19 2j6y h LYS 32 CO 0.08 0.90 -0.11 0.35 -0.57 0.00 0.00 179.45 180.11 2j6y h PHE 33 N 0.64 -0.26 -0.78 -1.35 3.57 -0.31 -2.98 116.94 115.47 2j6y h PHE 33 Ca 0.11 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 2j6y h PHE 33 Cb 0.58 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 2j6y h PHE 33 CO 0.05 -0.17 0.35 0.66 -2.23 0.00 0.00 178.31 176.96 2j6y h SER 34 N -0.08 1.04 -0.60 0.41 4.64 -1.27 0.12 113.55 117.82 2j6y h SER 34 Ca 0.12 -0.15 0.12 0.00 -0.47 0.00 0.00 61.79 61.41 2j6y h SER 34 Cb 0.26 -0.27 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 2j6y h SER 34 CO -0.28 0.91 -0.21 0.03 -0.87 0.00 0.00 176.83 176.41 2j6y h ARG 35 N 1.11 -0.06 0.36 4.77 3.08 -1.46 0.98 114.38 123.16 2j6y h ARG 35 Ca 0.26 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 2j6y h ARG 35 Cb 0.16 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 2j6y h ARG 35 CO -0.03 -0.04 -0.41 0.87 -1.07 0.00 0.00 179.97 179.30 2j6y h LYS 36 N -0.06 -0.77 -0.79 0.04 1.57 -1.12 -1.53 116.57 113.91 2j6y h LYS 36 Ca 0.28 0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 2j6y h LYS 36 Cb 0.49 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 2j6y h LYS 36 CO -0.64 -0.52 0.36 1.79 -0.57 0.00 0.00 179.45 179.87 2j6y h THR 37 N -0.80 1.25 -0.18 -0.16 1.35 -0.44 -0.53 112.91 113.41 2j6y h THR 37 Ca -0.03 -0.73 -0.01 0.00 -0.55 0.00 0.00 66.41 65.09 2j6y h THR 37 Cb 0.73 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 2j6y h THR 37 CO -0.09 0.31 0.08 0.40 -0.25 0.00 0.00 175.52 175.97 2j6y h ILE 38 N 1.12 1.14 -0.87 6.82 2.04 -0.83 -1.04 117.51 125.89 2j6y h ILE 38 Ca 0.27 -0.41 0.13 0.00 1.00 0.00 0.00 64.86 65.85 2j6y h ILE 38 Cb 0.15 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 2j6y h ILE 38 CO -0.03 0.13 0.57 -0.33 0.00 0.00 0.00 178.15 178.49 2j6y h GLU 39 N 0.15 0.68 -0.40 2.37 5.08 -0.37 -1.36 114.58 120.72 2j6y h GLU 39 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2j6y h GLU 39 Cb 0.14 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2j6y h GLU 39 CO -0.01 0.45 0.00 0.72 -1.00 0.00 0.00 179.01 179.17 2j6y n HIS 40 N -4.55 0.54 -2.99 4.33 8.25 -0.29 -4.94 115.22 115.57 2j6y n HIS 40 Ca 0.17 -0.26 -0.22 0.00 -0.26 0.00 0.00 57.72 57.14 2j6y n HIS 40 Cb 0.44 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.57 2j6y n HIS 40 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2j6y n GLN 41 N 0.59 -4.75 -2.41 -0.41 6.02 -0.51 -4.95 117.38 110.95 2j6y n GLN 41 Ca 0.13 0.92 -0.43 0.00 -0.01 0.00 0.00 57.00 57.61 2j6y n GLN 41 Cb 0.34 -5.78 -0.02 0.00 1.02 0.00 0.00 30.24 25.80 2j6y n GLN 41 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2j6y s ILE 42 N -3.18 4.21 0.66 5.09 -1.09 -0.50 -5.01 121.20 121.39 2j6y s ILE 42 Ca 0.29 1.50 -0.13 0.00 -2.23 0.00 0.00 60.65 60.08 2j6y s ILE 42 Cb -0.13 -3.97 -0.00 0.00 -1.58 0.00 0.00 42.46 36.78 2j6y s ILE 42 CO 0.36 -0.08 1.06 -2.16 -1.23 0.00 0.00 174.94 172.89 2j6y s PRO 43 N 3.01 3.00 0.39 2.79 0.04 -1.26 -4.68 135.00 138.29 2j6y s PRO 43 Ca 0.56 1.10 0.07 0.00 0.04 0.00 0.00 61.00 62.77 2j6y s PRO 43 Cb -0.24 -1.99 0.80 0.00 0.04 0.00 0.00 34.50 33.11 2j6y s PRO 43 CO 0.18 -1.06 2.00 -1.00 0.04 0.00 0.00 177.00 177.17 2j6y h PRO 44 N -0.26 0.64 -0.32 0.56 0.13 -1.95 -1.99 132.00 128.81 2j6y h PRO 44 Ca -0.45 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 2j6y h PRO 44 Cb 1.22 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2j6y h PRO 44 CO 0.56 0.43 -0.12 1.05 -0.23 0.00 0.00 178.00 179.69 2j6y h GLU 45 N 0.66 0.55 -0.47 0.86 9.09 -1.86 -2.32 114.58 121.09 2j6y h GLU 45 Ca 0.24 -0.16 -0.05 0.00 0.05 0.00 0.00 59.36 59.44 2j6y h GLU 45 Cb 0.14 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.16 2j6y h GLU 45 CO -0.07 0.67 0.09 1.49 0.05 0.00 0.00 179.01 181.24 2j6y h GLU 46 N 0.51 0.71 -0.07 1.06 4.81 -1.73 -1.22 114.58 118.64 2j6y h GLU 46 Ca 0.09 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2j6y h GLU 46 Cb 0.51 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 2j6y h GLU 46 CO 0.03 0.67 -0.18 0.82 -0.73 0.00 0.00 179.01 179.62 2j6y h ILE 47 N 0.69 0.55 -0.64 2.32 1.08 -1.21 -0.00 117.51 120.30 2j6y h ILE 47 Ca 0.15 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.65 2j6y h ILE 47 Cb 0.30 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.56 2j6y h ILE 47 CO 0.00 0.00 0.40 0.40 -0.69 0.00 0.00 178.15 178.26 2j6y h ILE 48 N -0.25 1.10 -0.56 -0.67 2.04 -1.17 -1.10 117.51 116.90 2j6y h ILE 48 Ca 0.08 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.71 2j6y h ILE 48 Cb 0.36 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 2j6y h ILE 48 CO -0.22 0.14 0.31 0.28 0.00 0.00 0.00 178.15 178.67 2j6y h SER 49 N 0.79 0.48 -0.39 1.72 0.02 -1.09 -0.07 113.55 115.01 2j6y h SER 49 Ca 0.25 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.26 2j6y h SER 49 Cb -0.00 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 2j6y h SER 49 CO -0.09 0.33 0.15 0.40 -1.14 0.00 0.00 176.83 176.48 2j6y h ILE 50 N 0.60 0.90 -0.52 3.27 2.04 -0.77 -1.83 117.51 121.21 2j6y h ILE 50 Ca 0.24 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 66.03 2j6y h ILE 50 Cb 0.09 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 2j6y h ILE 50 CO -0.13 0.06 0.25 -0.74 0.00 0.00 0.00 178.15 177.59 2j6y h HIS 51 N 0.32 0.46 -0.20 1.37 2.76 -0.66 -0.75 115.15 118.46 2j6y h HIS 51 Ca 0.18 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2j6y h HIS 51 Cb 0.14 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 2j6y h HIS 51 CO -0.14 0.22 0.05 -0.09 -1.30 0.00 0.00 177.93 176.67 2j6y h ARG 52 N 0.49 0.13 -0.18 5.26 2.43 -0.78 0.36 114.38 122.10 2j6y h ARG 52 Ca 0.23 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 2j6y h ARG 52 Cb 0.16 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2j6y h ARG 52 CO -0.17 0.09 0.04 -0.22 -1.51 0.00 0.00 179.97 178.20 2j6y h LYS 53 N 0.14 0.30 -0.45 0.20 3.64 -1.09 -1.42 116.57 117.89 2j6y h LYS 53 Ca 0.09 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2j6y h LYS 53 Cb 0.07 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2j6y h LYS 53 CO -0.11 0.43 0.18 0.28 -2.27 0.00 0.00 179.45 177.97 2j6y h VAL 54 N 0.11 1.20 -0.81 2.00 2.07 -1.02 -1.61 116.25 118.18 2j6y h VAL 54 Ca 0.06 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 2j6y h VAL 54 Cb 0.27 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2j6y h VAL 54 CO 0.00 0.23 0.36 0.25 0.02 0.00 0.00 177.57 178.43 2j6y h LEU 55 N 0.58 1.09 -0.61 2.57 5.85 -0.19 0.85 115.31 125.44 2j6y h LEU 55 Ca 0.15 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 2j6y h LEU 55 Cb 0.19 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2j6y h LEU 55 CO -0.01 0.94 -0.13 0.50 -0.34 0.00 0.00 178.44 179.40 2j6y h LYS 56 N 1.17 0.96 -0.65 1.25 1.63 -1.15 0.24 116.57 120.03 2j6y h LYS 56 Ca 0.28 -0.36 -0.09 0.00 -0.85 0.00 0.00 60.65 59.63 2j6y h LYS 56 Cb 0.16 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 2j6y h LYS 56 CO -0.03 1.03 0.07 1.49 -3.45 0.00 0.00 179.45 178.55 2j6y h GLU 57 N 0.85 1.10 -0.35 1.90 4.81 -0.83 -2.26 114.58 119.80 2j6y h GLU 57 Ca 0.13 -0.31 -0.15 0.00 -0.13 0.00 0.00 59.36 58.90 2j6y h GLU 57 Cb 0.68 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2j6y h GLU 57 CO 0.05 1.03 -0.37 -0.07 -0.73 0.00 0.00 179.01 178.92 2j6y h LEU 58 N 1.02 0.87 -6.38 1.64 3.38 -0.60 -3.38 115.31 111.86 2j6y h LEU 58 Ca 0.19 -0.39 -0.59 0.00 0.09 0.00 0.00 57.88 57.19 2j6y h LEU 58 Cb 0.49 -0.25 -0.39 0.00 0.09 0.00 0.00 40.66 40.60 2j6y h LEU 58 CO 0.02 1.15 -0.92 -1.22 0.09 0.00 0.00 178.44 177.55 2j6y n TYR 59 N -4.05 0.08 0.28 1.13 4.01 0.05 -4.97 117.16 113.69 2j6y n TYR 59 Ca -0.02 -3.56 0.19 0.00 -0.16 0.00 0.00 57.90 54.35 2j6y n TYR 59 Cb 0.53 -0.05 1.00 0.00 -0.31 0.00 0.00 39.34 40.51 2j6y n TYR 59 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2j6y h PRO 60 N 5.15 0.00 -0.01 -0.72 0.11 -1.60 -2.44 132.00 132.50 2j6y h PRO 60 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2j6y h PRO 60 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2j6y h PRO 60 CO 0.47 0.00 -0.30 -1.13 -0.21 0.00 0.00 178.00 176.83 2j6y n SER 61 N -2.81 1.16 -4.61 -2.05 3.41 -1.26 -4.96 113.62 102.50 2j6y n SER 61 Ca -0.02 -0.97 -0.42 0.00 -0.26 0.00 0.00 58.87 57.20 2j6y n SER 61 Cb 0.08 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 2j6y n SER 61 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2j6y n LEU 62 N -0.59 2.52 -4.67 1.04 4.77 -0.92 -4.87 117.00 114.28 2j6y n LEU 62 Ca 0.11 1.08 -0.42 0.00 -0.03 0.00 0.00 56.01 56.76 2j6y n LEU 62 Cb 0.37 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 2j6y n LEU 62 CO 0.27 -1.37 0.80 -2.65 -1.33 0.00 0.00 177.39 173.11 2j6y n PRO 63 N 0.31 1.82 0.27 3.23 -0.02 -1.26 -4.86 135.00 134.49 2j6y n PRO 63 Ca 0.09 0.65 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 2j6y n PRO 63 Cb 0.37 -2.25 0.73 0.00 -0.02 0.00 0.00 33.50 32.33 2j6y n PRO 63 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2j6y h GLU 64 N 2.10 0.00 -0.49 -0.52 4.57 -1.98 -1.83 114.58 116.44 2j6y h GLU 64 Ca -0.46 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 57.84 2j6y h GLU 64 Cb 1.30 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.87 2j6y h GLU 64 CO 0.60 0.04 0.34 -0.44 -1.18 0.00 0.00 179.01 178.37 2j6y h ASP 65 N 0.00 0.12 -0.44 1.04 3.32 -1.98 -0.44 116.42 118.04 2j6y h ASP 65 Ca -0.00 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.12 2j6y h ASP 65 Cb 0.07 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 2j6y h ASP 65 CO 0.00 0.07 0.11 0.58 -1.72 0.00 0.00 179.24 178.28 2j6y h VAL 66 N 0.13 0.79 -0.10 -1.35 2.07 -1.68 -1.13 116.25 114.98 2j6y h VAL 66 Ca 0.23 -0.09 -0.22 0.00 0.82 0.00 0.00 66.70 67.45 2j6y h VAL 66 Cb 0.74 0.52 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2j6y h VAL 66 CO -0.03 0.05 -0.81 -0.26 0.02 0.00 0.00 177.57 176.54 2j6y h PHE 67 N 0.25 0.87 -0.95 1.57 0.04 -1.39 -2.24 116.94 115.09 2j6y h PHE 67 Ca 0.21 -0.41 0.07 0.00 2.80 0.00 0.00 57.97 60.64 2j6y h PHE 67 Cb 0.25 -0.13 -0.07 0.00 2.20 0.00 0.00 35.95 38.21 2j6y h PHE 67 CO -0.19 1.22 0.61 0.45 -0.60 0.00 0.00 178.31 179.79 2j6y h HIS 68 N 0.42 1.12 -0.61 -0.55 3.86 -1.10 -0.74 115.15 117.56 2j6y h HIS 68 Ca -0.06 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 2j6y h HIS 68 Cb 1.43 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 29.51 2j6y h HIS 68 CO 0.07 0.57 0.27 0.66 0.86 0.00 0.00 177.93 180.36 2j6y h SER 69 N 1.10 0.81 0.04 2.45 4.64 -0.81 -2.14 113.55 119.64 2j6y h SER 69 Ca 0.41 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.52 2j6y h SER 69 Cb 0.18 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2j6y h SER 69 CO -0.18 0.74 -0.19 -0.07 -0.87 0.00 0.00 176.83 176.26 2j6y h LEU 70 N 0.84 0.28 -1.14 5.97 3.38 -0.85 -2.12 115.31 121.66 2j6y h LEU 70 Ca 0.21 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2j6y h LEU 70 Cb 0.16 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2j6y h LEU 70 CO -0.02 0.49 0.58 0.44 0.09 0.00 0.00 178.44 180.03 2j6y h ASP 71 N 0.27 1.00 -0.25 -0.43 3.32 -0.52 0.24 116.42 120.04 2j6y h ASP 71 Ca 0.05 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 2j6y h ASP 71 Cb 0.50 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2j6y h ASP 71 CO 0.03 0.71 -0.08 0.15 -1.72 0.00 0.00 179.24 178.33 2j6y h PHE 72 N 1.17 0.57 -0.56 4.55 3.57 -0.93 -2.73 116.94 122.57 2j6y h PHE 72 Ca 0.33 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2j6y h PHE 72 Cb -0.09 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 2j6y h PHE 72 CO -0.00 0.74 0.33 1.25 -2.23 0.00 0.00 178.31 178.40 2j6y h LEU 73 N 0.24 0.53 -0.63 0.59 5.85 -1.15 -1.68 115.31 119.05 2j6y h LEU 73 Ca 0.06 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.92 2j6y h LEU 73 Cb 0.57 -0.10 -0.12 0.00 0.37 0.00 0.00 40.66 41.38 2j6y h LEU 73 CO 0.03 0.37 -0.10 0.40 -0.34 0.00 0.00 178.44 178.81 2j6y h ILE 74 N 0.66 0.40 -0.54 4.05 2.04 -0.51 -2.10 117.51 121.51 2j6y h ILE 74 Ca 0.23 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 66.01 2j6y h ILE 74 Cb 0.05 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2j6y h ILE 74 CO -0.11 0.01 0.06 -0.08 0.00 0.00 0.00 178.15 178.03 2j6y h GLU 75 N 0.04 0.91 -0.64 2.37 4.57 -1.11 -1.58 114.58 119.13 2j6y h GLU 75 Ca 0.32 -0.26 0.05 0.00 -1.18 0.00 0.00 59.36 58.29 2j6y h GLU 75 Cb 0.50 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 2j6y h GLU 75 CO -0.61 0.89 0.36 0.28 -1.18 0.00 0.00 179.01 178.75 2j6y h VAL 76 N 0.79 0.99 0.00 0.32 2.07 -1.06 -2.94 116.25 116.42 2j6y h VAL 76 Ca 0.16 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 2j6y h VAL 76 Cb 0.45 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2j6y h VAL 76 CO 0.02 0.12 -0.18 0.24 0.02 0.00 0.00 177.57 177.79 2j6y h MET 77 N 0.67 0.00 -0.84 1.57 2.86 -0.62 -3.04 114.93 115.53 2j6y h MET 77 Ca 0.28 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.03 2j6y h MET 77 Cb 0.15 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.73 2j6y h MET 77 CO -0.16 0.18 0.47 0.82 1.06 0.00 0.00 176.91 179.28 2j6y h ILE 78 N 0.00 0.88 -0.21 -1.22 2.04 -1.18 -0.84 117.51 116.98 2j6y h ILE 78 Ca -0.00 -0.27 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 2j6y h ILE 78 Cb 0.74 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2j6y h ILE 78 CO 0.02 0.14 -0.28 1.23 0.00 0.00 0.00 178.15 179.27 2j6y h GLY 79 N 0.77 0.44 0.93 5.37 0.00 -1.68 -2.12 103.07 106.78 2j6y h GLY 79 Ca 0.41 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 2j6y h GLY 79 CO -0.27 0.33 0.12 -0.97 0.00 0.00 0.00 176.54 175.75 2j6y h TYR 80 N 0.36 0.59 -0.65 5.60 -1.99 -1.33 -1.19 116.97 118.36 2j6y h TYR 80 Ca 0.05 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 2j6y h TYR 80 Cb 0.68 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 39.21 2j6y h TYR 80 CO 0.02 0.56 0.31 0.78 -0.00 0.00 0.00 178.16 179.83 2j6y h GLY 81 N 0.45 1.00 1.88 3.88 0.00 -0.80 -0.68 103.07 108.79 2j6y h GLY 81 Ca 0.12 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 2j6y h GLY 81 CO -0.00 0.47 -0.33 -0.33 0.00 0.00 0.00 176.54 176.35 2j6y h MET 82 N 0.89 0.14 0.01 4.80 2.86 -1.29 -1.91 114.93 120.45 2j6y h MET 82 Ca 0.22 -0.05 -0.24 0.00 -2.06 0.00 0.00 59.70 57.57 2j6y h MET 82 Cb 0.12 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2j6y h MET 82 CO -0.03 0.46 -1.26 0.00 1.06 0.00 0.00 176.91 177.14 2j6y h ALA 83 N 1.54 0.46 0.00 6.32 0.00 -0.90 -3.41 119.26 123.27 2j6y h ALA 83 Ca 0.02 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.84 2j6y h ALA 83 Cb 0.64 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2j6y h ALA 83 CO 0.05 1.33 -0.94 0.66 0.00 0.00 0.00 179.25 180.35 2j6y n TYR 84 N -3.27 0.00 -2.59 0.00 4.01 -0.29 -5.03 117.16 109.99 2j6y n TYR 84 Ca -0.07 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.27 2j6y n TYR 84 Cb 0.98 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.96 2j6y n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2j6y s GLN 85 N -1.95 4.64 0.07 -0.72 -1.52 -0.72 -4.95 119.66 114.50 2j6y s GLN 85 Ca -0.00 1.63 -0.30 0.00 -1.95 0.00 0.00 55.36 54.74 2j6y s GLN 85 Cb 0.00 -3.30 -0.09 0.00 -0.22 0.00 0.00 33.01 29.40 2j6y s GLN 85 CO 0.02 0.14 1.83 -1.21 -0.25 0.00 0.00 175.29 175.82 2j6y s GLU 86 N -0.34 4.15 0.00 2.91 2.02 -1.26 -4.94 118.70 121.24 2j6y s GLU 86 Ca 0.48 2.52 0.00 0.00 0.02 0.00 0.00 54.97 57.99 2j6y s GLU 86 Cb -0.28 -3.84 0.00 0.00 0.10 0.00 0.00 34.13 30.12 2j6y s GLU 86 CO 0.33 -0.86 0.31 0.72 0.02 0.00 0.00 175.26 175.78