#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j6y h PHE 3 N 0.00 1.20 -1.00 -0.67 3.57 -2.06 -2.38 116.94 115.60 2j6y h PHE 3 Ca 0.00 -0.07 0.23 0.00 3.53 0.00 0.00 57.97 61.65 2j6y h PHE 3 Cb 0.00 -0.37 -0.10 0.00 2.79 0.00 0.00 35.95 38.28 2j6y h PHE 3 CO 0.00 0.89 0.63 0.00 -2.23 0.00 0.00 178.31 177.59 2j6y h ARG 4 N 1.16 0.55 -0.36 1.11 3.08 -2.02 -0.84 114.38 117.06 2j6y h ARG 4 Ca 0.27 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.16 2j6y h ARG 4 Cb 0.17 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2j6y h ARG 4 CO -0.03 0.36 -0.30 0.93 -1.07 0.00 0.00 179.97 179.87 2j6y h GLU 5 N 0.56 0.76 0.01 0.04 4.39 -1.87 -1.47 114.58 117.01 2j6y h GLU 5 Ca 0.58 -0.34 0.03 0.00 0.34 0.00 0.00 59.36 59.97 2j6y h GLU 5 Cb 1.19 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.78 2j6y h GLU 5 CO -0.34 0.96 -0.25 0.28 -1.16 0.00 0.00 179.01 178.50 2j6y h VAL 6 N 0.65 0.44 -0.44 3.13 2.07 -1.08 -1.93 116.25 119.08 2j6y h VAL 6 Ca 0.08 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.51 2j6y h VAL 6 Cb 0.82 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2j6y h VAL 6 CO 0.07 0.00 -0.07 0.40 0.02 0.00 0.00 177.57 177.99 2j6y h ILE 7 N -0.39 1.25 -0.32 4.57 1.08 -1.16 -1.06 117.51 121.48 2j6y h ILE 7 Ca 0.06 -1.09 -0.13 0.00 -0.39 0.00 0.00 64.86 63.31 2j6y h ILE 7 Cb 0.47 0.98 -0.00 0.00 -3.07 0.00 0.00 36.82 35.20 2j6y h ILE 7 CO -0.21 0.38 -0.32 -0.33 -0.69 0.00 0.00 178.15 176.97 2j6y h GLU 8 N 0.70 0.78 -0.32 2.37 5.08 -1.21 -0.41 114.58 121.56 2j6y h GLU 8 Ca 0.13 -0.41 -0.10 0.00 -1.00 0.00 0.00 59.36 57.98 2j6y h GLU 8 Cb 0.52 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2j6y h GLU 8 CO 0.03 1.04 -0.21 -0.56 -1.00 0.00 0.00 179.01 178.31 2j6y h GLN 9 N 0.54 0.61 -0.48 2.33 3.07 -1.09 -1.26 115.11 118.84 2j6y h GLN 9 Ca 0.05 -0.22 -0.05 0.00 0.09 0.00 0.00 58.65 58.52 2j6y h GLN 9 Cb 0.90 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.40 2j6y h GLN 9 CO 0.08 0.78 0.10 -0.09 0.09 0.00 0.00 178.83 179.79 2j6y h ARG 10 N 0.54 0.77 -0.76 0.06 9.65 -1.07 -2.37 114.38 121.20 2j6y h ARG 10 Ca 0.08 -0.19 -0.00 0.00 -1.10 0.00 0.00 59.98 58.77 2j6y h ARG 10 Cb 0.66 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.10 2j6y h ARG 10 CO 0.05 0.76 0.47 -0.92 2.80 0.00 0.00 179.97 183.13 2j6y h TYR 11 N 0.65 0.99 -0.33 2.20 3.20 -0.82 -0.99 116.97 121.87 2j6y h TYR 11 Ca 0.15 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.08 2j6y h TYR 11 Cb 0.35 -0.33 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 2j6y h TYR 11 CO 0.02 0.65 0.03 1.25 -1.64 0.00 0.00 178.16 178.48 2j6y h HIS 12 N 1.04 0.04 0.18 -3.82 2.76 -1.01 0.33 115.15 114.67 2j6y h HIS 12 Ca 0.28 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 2j6y h HIS 12 Cb -0.06 0.03 0.00 0.00 1.55 0.00 0.00 27.41 28.93 2j6y h HIS 12 CO -0.01 -0.03 -0.08 0.37 -1.30 0.00 0.00 177.93 176.88 2j6y h GLN 13 N 0.13 -0.23 -0.32 5.26 4.15 -1.30 -0.86 115.11 121.93 2j6y h GLN 13 Ca 0.16 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.62 2j6y h GLN 13 Cb 0.20 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 2j6y h GLN 13 CO -0.24 0.02 0.16 -0.07 -1.93 0.00 0.00 178.83 176.77 2j6y h LEU 14 N -0.46 0.23 -0.39 -2.39 3.38 -0.90 -0.33 115.31 114.46 2j6y h LEU 14 Ca -0.02 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2j6y h LEU 14 Cb 0.36 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2j6y h LEU 14 CO 0.04 0.17 0.08 0.25 0.09 0.00 0.00 178.44 179.07 2j6y h LEU 15 N 0.33 0.60 -1.04 1.67 5.85 -0.35 -1.76 115.31 120.60 2j6y h LEU 15 Ca 0.13 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 2j6y h LEU 15 Cb 0.05 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2j6y h LEU 15 CO -0.09 0.69 -0.09 0.77 -0.34 0.00 0.00 178.44 179.37 2j6y h SER 16 N 0.48 0.57 -0.41 1.25 4.64 -0.99 -1.34 113.55 117.74 2j6y h SER 16 Ca 0.12 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 2j6y h SER 16 Cb 0.33 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2j6y h SER 16 CO 0.00 0.70 0.15 0.03 -0.87 0.00 0.00 176.83 176.85 2j6y h ARG 17 N 0.55 0.62 -0.19 4.77 3.08 -0.85 -1.96 114.38 120.41 2j6y h ARG 17 Ca 0.10 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2j6y h ARG 17 Cb 0.48 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2j6y h ARG 17 CO 0.03 0.59 0.10 -0.92 -1.07 0.00 0.00 179.97 178.70 2j6y h TYR 18 N 0.52 0.26 -0.95 3.04 3.20 -1.04 0.11 116.97 122.11 2j6y h TYR 18 Ca 0.14 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.05 2j6y h TYR 18 Cb 0.21 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 2j6y h TYR 18 CO 0.00 0.26 0.61 0.82 -1.64 0.00 0.00 178.16 178.21 2j6y h ILE 19 N 0.19 1.12 -0.05 1.81 2.04 -1.18 0.34 117.51 121.77 2j6y h ILE 19 Ca 0.07 -0.39 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 2j6y h ILE 19 Cb 0.09 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.02 2j6y h ILE 19 CO -0.01 0.21 -0.57 0.00 0.00 0.00 0.00 178.15 177.78 2j6y h ALA 20 N 1.41 0.96 0.02 1.87 0.00 -0.98 -3.37 119.26 119.16 2j6y h ALA 20 Ca 0.39 -0.52 -0.40 0.00 0.00 0.00 0.00 54.91 54.39 2j6y h ALA 20 Cb 0.08 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 2j6y h ALA 20 CO -0.15 0.70 -2.38 0.39 0.00 0.00 0.00 179.25 177.82 2j6y n GLU 21 N -3.89 0.65 -3.98 0.00 1.02 0.35 -5.01 120.64 109.79 2j6y n GLU 21 Ca -0.02 0.21 -0.29 0.00 -0.02 0.00 0.00 57.16 57.04 2j6y n GLU 21 Cb 0.58 -1.55 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 2j6y n GLU 21 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2j6y n LEU 22 N -3.55 -1.99 -4.48 -4.62 4.77 0.11 -4.99 117.00 102.25 2j6y n LEU 22 Ca -0.45 -1.07 -0.25 0.00 -0.03 0.00 0.00 56.01 54.21 2j6y n LEU 22 Cb 0.96 -2.11 -0.10 0.00 -2.33 0.00 0.00 43.42 39.84 2j6y n LEU 22 CO 0.23 0.47 -0.48 0.42 -1.33 0.00 0.00 177.39 176.71 2j6y s THR 23 N -3.93 2.56 0.30 -5.08 -4.23 -1.26 -5.04 115.64 98.96 2j6y s THR 23 Ca 0.10 -2.28 -0.01 0.00 -1.18 0.00 0.00 61.69 58.32 2j6y s THR 23 Cb -0.04 -2.32 0.27 0.00 1.34 0.00 0.00 72.50 71.75 2j6y s THR 23 CO 0.91 -0.34 1.95 0.11 -0.54 0.00 0.00 174.62 176.71 2j6y h LYS 24 N 2.43 1.05 -0.28 3.99 6.56 -1.99 -2.47 116.57 125.85 2j6y h LYS 24 Ca -0.42 -0.06 0.04 0.00 -1.06 0.00 0.00 60.65 59.15 2j6y h LYS 24 Cb 1.25 -0.24 -0.03 0.00 -0.57 0.00 0.00 32.23 32.64 2j6y h LYS 24 CO 0.58 0.69 0.07 1.79 -2.06 0.00 0.00 179.45 180.52 2j6y h THR 25 N 1.08 0.89 -0.11 -0.16 1.35 -1.99 -0.46 112.91 113.51 2j6y h THR 25 Ca 0.33 -0.06 -0.20 0.00 -0.55 0.00 0.00 66.41 65.93 2j6y h THR 25 Cb -0.01 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 2j6y h THR 25 CO -0.09 0.03 -0.75 -1.28 -0.25 0.00 0.00 175.52 173.19 2j6y h SER 26 N 0.18 0.67 -0.70 5.36 0.87 -1.94 -2.79 113.55 115.21 2j6y h SER 26 Ca 0.13 -0.44 0.04 0.00 -1.23 0.00 0.00 61.79 60.29 2j6y h SER 26 Cb 0.12 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 61.83 2j6y h SER 26 CO -0.15 1.20 0.42 0.25 -0.53 0.00 0.00 176.83 178.02 2j6y h LEU 27 N 0.38 0.68 -2.05 2.23 5.85 -1.30 -2.61 115.31 118.49 2j6y h LEU 27 Ca -0.04 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.81 2j6y h LEU 27 Cb 1.34 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 2j6y h LEU 27 CO 0.14 0.46 0.33 0.22 -0.34 0.00 0.00 178.44 179.25 2j6y h TYR 28 N 0.81 0.00 0.00 1.25 3.20 -0.80 -0.64 116.97 120.79 2j6y h TYR 28 Ca 0.29 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2j6y h TYR 28 Cb 0.08 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.35 2j6y h TYR 28 CO -0.05 0.00 0.00 1.96 -1.64 0.00 0.00 178.16 178.43 2j6y h GLN 29 N 0.00 0.00 -0.44 1.82 1.08 -1.40 -1.27 115.11 114.90 2j6y h GLN 29 Ca 0.19 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.40 2j6y h GLN 29 Cb 0.85 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.26 2j6y h GLN 29 CO -0.00 0.00 0.29 0.00 -0.95 0.00 0.00 178.83 178.17 2j6y h ALA 30 N 2.03 1.71 -0.36 3.87 0.00 -1.28 -2.04 119.26 123.19 2j6y h ALA 30 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2j6y h ALA 30 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2j6y h ALA 30 CO 0.00 0.27 -0.23 1.96 0.00 0.00 0.00 179.25 181.24 2j6y h GLN 31 N 0.58 0.79 -0.27 0.00 4.20 -1.43 -0.57 115.11 118.40 2j6y h GLN 31 Ca 0.16 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 2j6y h GLN 31 Cb -0.04 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2j6y h GLN 31 CO -0.04 1.00 0.15 -0.22 -0.67 0.00 0.00 178.83 179.05 2j6y h LYS 32 N 0.58 0.37 -0.17 1.46 3.64 -1.65 -1.45 116.57 119.35 2j6y h LYS 32 Ca 0.07 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2j6y h LYS 32 Cb 0.80 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 2j6y h LYS 32 CO 0.06 0.32 -0.22 0.35 -2.27 0.00 0.00 179.45 177.70 2j6y h PHE 33 N 0.32 -0.57 -0.46 1.91 3.57 -1.23 -2.58 116.94 117.90 2j6y h PHE 33 Ca 0.10 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 2j6y h PHE 33 Cb 0.06 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2j6y h PHE 33 CO -0.04 -0.30 -0.05 0.66 -2.23 0.00 0.00 178.31 176.36 2j6y h SER 34 N -0.25 0.76 -0.58 0.41 4.64 -1.00 -1.91 113.55 115.62 2j6y h SER 34 Ca 0.11 -0.20 0.10 0.00 -0.47 0.00 0.00 61.79 61.33 2j6y h SER 34 Cb 0.42 -0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 62.24 2j6y h SER 34 CO -0.32 0.86 0.18 -0.09 -0.87 0.00 0.00 176.83 176.59 2j6y h ARG 35 N 0.73 0.33 -0.71 4.77 2.43 -1.06 -0.86 114.38 120.00 2j6y h ARG 35 Ca 0.13 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2j6y h ARG 35 Cb 0.51 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 2j6y h ARG 35 CO 0.03 0.22 0.21 0.87 -1.51 0.00 0.00 179.97 179.79 2j6y h LYS 36 N 0.34 1.11 -0.10 0.20 1.57 -1.20 -1.60 116.57 116.89 2j6y h LYS 36 Ca 0.29 -0.24 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 2j6y h LYS 36 Cb 0.39 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2j6y h LYS 36 CO -0.33 0.96 -0.67 1.79 -0.57 0.00 0.00 179.45 180.63 2j6y h THR 37 N 1.05 1.37 -0.71 -0.16 1.35 -0.85 -0.84 112.91 114.11 2j6y h THR 37 Ca 0.23 -2.04 -0.07 0.00 -0.55 0.00 0.00 66.41 63.99 2j6y h THR 37 Cb 0.32 2.02 -0.03 0.00 -1.73 0.00 0.00 68.15 68.73 2j6y h THR 37 CO -0.01 0.61 0.18 0.40 -0.25 0.00 0.00 175.52 176.46 2j6y h ILE 38 N 0.29 1.26 -0.51 6.82 2.04 -1.16 0.26 117.51 126.50 2j6y h ILE 38 Ca -0.02 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 64.83 2j6y h ILE 38 Cb 1.22 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2j6y h ILE 38 CO 0.11 0.37 0.07 -0.33 0.00 0.00 0.00 178.15 178.37 2j6y h GLU 39 N 1.07 0.81 -0.09 2.37 5.08 -0.94 -0.97 114.58 121.91 2j6y h GLU 39 Ca 0.22 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2j6y h GLU 39 Cb 0.35 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2j6y h GLU 39 CO -0.00 0.77 0.00 0.72 -1.00 0.00 0.00 179.01 179.50 2j6y n HIS 40 N -4.25 0.12 -2.60 4.33 8.25 -0.35 -4.92 115.22 115.80 2j6y n HIS 40 Ca 0.03 -0.06 -0.19 0.00 -0.26 0.00 0.00 57.72 57.24 2j6y n HIS 40 Cb 0.26 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.26 -2.72 -2.82 -0.41 6.02 -0.21 -4.95 117.38 112.03 2j6y n GLN 41 Ca 0.08 0.86 -0.42 0.00 -0.01 0.00 0.00 57.00 57.51 2j6y n GLN 41 Cb 0.12 -5.43 -0.04 0.00 1.02 0.00 0.00 30.24 25.92 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 -3.00 4.80 0.68 5.09 1.01 0.73 -5.01 121.20 125.51 2j6y s ILE 42 Ca 0.12 1.72 -0.11 0.00 0.00 0.00 0.00 60.65 62.37 2j6y s ILE 42 Cb -0.05 -4.18 -0.00 0.00 0.01 0.00 0.00 42.46 38.24 2j6y s ILE 42 CO 0.14 -0.08 1.06 -2.16 0.00 0.00 0.00 174.94 173.90 2j6y s PRO 43 N 2.78 3.07 0.22 2.79 0.04 -1.26 -4.54 135.00 138.11 2j6y s PRO 43 Ca 0.38 0.82 -0.10 0.00 0.04 0.00 0.00 61.00 62.14 2j6y s PRO 43 Cb -0.16 -2.02 0.33 0.00 0.04 0.00 0.00 34.50 32.70 2j6y s PRO 43 CO 0.08 -0.96 1.66 -1.35 0.04 0.00 0.00 177.00 176.46 2j6y h PRO 44 N -0.61 0.11 -1.00 0.56 0.11 -1.87 -1.48 132.00 127.82 2j6y h PRO 44 Ca -0.44 -0.01 0.21 0.00 0.11 0.00 0.00 66.00 65.87 2j6y h PRO 44 Cb 1.21 -0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.19 2j6y h PRO 44 CO 0.59 0.08 0.61 1.05 -0.21 0.00 0.00 178.00 180.12 2j6y h GLU 45 N 0.12 0.64 -0.09 1.05 9.09 -1.86 -1.57 114.58 121.97 2j6y h GLU 45 Ca 0.35 -0.04 -0.13 0.00 0.05 0.00 0.00 59.36 59.59 2j6y h GLU 45 Cb 0.57 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 27.52 2j6y h GLU 45 CO -0.56 0.42 -0.53 0.93 0.05 0.00 0.00 179.01 179.32 2j6y h GLU 46 N 0.66 0.25 -0.60 1.06 4.39 -1.64 -1.73 114.58 116.97 2j6y h GLU 46 Ca 0.59 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 60.17 2j6y h GLU 46 Cb 1.05 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.67 2j6y h GLU 46 CO -0.38 0.72 0.35 0.82 -1.16 0.00 0.00 179.01 179.37 2j6y h ILE 47 N 0.19 1.02 -0.48 3.13 1.08 -1.16 0.68 117.51 121.98 2j6y h ILE 47 Ca 0.00 -0.23 -0.09 0.00 -0.39 0.00 0.00 64.86 64.15 2j6y h ILE 47 Cb 1.01 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 2j6y h ILE 47 CO 0.08 0.12 -0.06 0.40 -0.69 0.00 0.00 178.15 178.01 2j6y h ILE 48 N 0.67 1.27 -0.59 -0.67 1.08 -1.25 -0.67 117.51 117.35 2j6y h ILE 48 Ca 0.26 -1.16 0.06 0.00 -0.39 0.00 0.00 64.86 63.62 2j6y h ILE 48 Cb 0.09 1.05 -0.06 0.00 -3.07 0.00 0.00 36.82 34.83 2j6y h ILE 48 CO -0.13 0.40 0.29 0.28 -0.69 0.00 0.00 178.15 178.30 2j6y h SER 49 N 0.74 0.39 -0.16 1.72 0.02 -1.00 0.84 113.55 116.10 2j6y h SER 49 Ca 0.13 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2j6y h SER 49 Cb 0.59 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 2j6y h SER 49 CO 0.04 0.26 0.00 0.40 -1.14 0.00 0.00 176.83 176.39 2j6y h ILE 50 N 0.54 0.90 -0.31 3.27 2.04 -0.57 -1.81 117.51 121.57 2j6y h ILE 50 Ca 0.27 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 66.17 2j6y h ILE 50 Cb 0.22 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 2j6y h ILE 50 CO -0.21 0.01 0.01 -0.74 0.00 0.00 0.00 178.15 177.23 2j6y h HIS 51 N 0.06 0.00 -0.43 1.37 2.76 -0.48 0.82 115.15 119.25 2j6y h HIS 51 Ca 0.07 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.33 2j6y h HIS 51 Cb 0.08 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.04 2j6y h HIS 51 CO -0.15 -0.04 0.11 -0.09 -1.30 0.00 0.00 177.93 176.46 2j6y h ARG 52 N 0.10 0.25 0.46 5.26 2.43 -0.74 0.52 114.38 122.67 2j6y h ARG 52 Ca 0.15 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2j6y h ARG 52 Cb 0.19 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2j6y h ARG 52 CO -0.24 0.17 -0.22 -0.22 -1.51 0.00 0.00 179.97 177.95 2j6y h LYS 53 N 0.26 -0.60 -0.26 0.20 3.64 -0.72 -1.64 116.57 117.46 2j6y h LYS 53 Ca 0.21 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2j6y h LYS 53 Cb 0.24 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2j6y h LYS 53 CO -0.25 -0.37 0.17 0.28 -2.27 0.00 0.00 179.45 177.02 2j6y h VAL 54 N -0.67 1.07 -1.00 2.00 2.07 -0.72 -1.96 116.25 117.02 2j6y h VAL 54 Ca -0.06 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.39 2j6y h VAL 54 Cb 0.50 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2j6y h VAL 54 CO 0.10 0.06 0.65 0.25 0.02 0.00 0.00 177.57 178.66 2j6y h LEU 55 N 0.35 1.05 -0.55 2.57 5.85 0.05 0.45 115.31 125.08 2j6y h LEU 55 Ca 0.10 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2j6y h LEU 55 Cb -0.04 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 2j6y h LEU 55 CO -0.02 0.69 0.29 0.50 -0.34 0.00 0.00 178.44 179.56 2j6y h LYS 56 N 1.20 0.77 0.02 1.25 1.63 -1.02 0.16 116.57 120.59 2j6y h LYS 56 Ca 0.42 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 60.13 2j6y h LYS 56 Cb 0.12 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 2j6y h LYS 56 CO -0.16 0.61 -0.01 0.93 -3.45 0.00 0.00 179.45 177.36 2j6y h GLU 57 N 0.74 -0.03 -0.74 1.90 5.08 -0.89 -2.49 114.58 118.15 2j6y h GLU 57 Ca 0.19 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2j6y h GLU 57 Cb 0.07 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2j6y h GLU 57 CO -0.03 0.03 0.26 -0.07 -1.00 0.00 0.00 179.01 178.20 2j6y h LEU 58 N -0.08 1.04 -6.35 1.33 3.38 -0.84 -3.37 115.31 110.42 2j6y h LEU 58 Ca -0.00 -0.18 -0.59 0.00 0.09 0.00 0.00 57.88 57.20 2j6y h LEU 58 Cb 0.07 -0.27 -0.41 0.00 0.09 0.00 0.00 40.66 40.14 2j6y h LEU 58 CO 0.01 0.95 -0.75 -1.22 0.09 0.00 0.00 178.44 177.51 2j6y n TYR 59 N -4.27 2.12 0.31 1.13 4.01 0.57 -4.97 117.16 116.06 2j6y n TYR 59 Ca 0.06 -3.96 0.19 0.00 -0.16 0.00 0.00 57.90 54.04 2j6y n TYR 59 Cb 0.21 -0.43 1.03 0.00 -0.31 0.00 0.00 39.34 39.84 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 4.55 0.00 -0.27 -0.72 0.11 -1.63 -2.93 132.00 131.12 2j6y h PRO 60 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2j6y h PRO 60 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2j6y h PRO 60 CO 0.67 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 2j6y n SER 61 N -3.34 3.29 -4.74 -2.05 3.41 -1.26 -5.00 113.62 103.93 2j6y n SER 61 Ca -0.02 -2.54 -0.38 0.00 -0.26 0.00 0.00 58.87 55.67 2j6y n SER 61 Cb 0.17 -0.38 0.06 0.00 -0.26 0.00 0.00 64.21 63.80 2j6y n SER 61 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2j6y s LEU 62 N -1.96 3.70 0.45 1.04 1.43 -1.11 -4.96 118.68 117.26 2j6y s LEU 62 Ca 0.31 2.71 -0.24 0.00 -1.03 0.00 0.00 54.13 55.88 2j6y s LEU 62 Cb 0.23 -4.45 -0.09 0.00 0.03 0.00 0.00 46.19 41.90 2j6y s LEU 62 CO 0.11 -1.83 1.15 -2.65 0.23 0.00 0.00 176.35 173.36 2j6y n PRO 63 N -1.51 1.59 0.24 1.29 -0.02 -1.26 -4.89 135.00 130.45 2j6y n PRO 63 Ca 0.13 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.31 2j6y n PRO 63 Cb 0.46 -2.24 0.57 0.00 -0.02 0.00 0.00 33.50 32.27 2j6y n PRO 63 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2j6y h GLU 64 N 1.68 0.00 -0.96 -0.52 4.39 -1.99 -1.89 114.58 115.30 2j6y h GLU 64 Ca -0.47 0.00 0.24 0.00 0.34 0.00 0.00 59.36 59.47 2j6y h GLU 64 Cb 1.32 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.90 2j6y h GLU 64 CO 0.58 0.16 0.64 -0.44 -1.16 0.00 0.00 179.01 178.79 2j6y h ASP 65 N 0.00 0.33 -0.27 1.42 5.19 -1.98 0.21 116.42 121.32 2j6y h ASP 65 Ca -0.00 0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.46 2j6y h ASP 65 Cb 0.61 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 2j6y h ASP 65 CO 0.02 0.11 0.15 0.58 -3.12 0.00 0.00 179.24 176.98 2j6y h VAL 66 N 0.32 1.03 -0.25 -1.35 2.07 -1.70 0.56 116.25 116.93 2j6y h VAL 66 Ca 0.50 -0.11 -0.20 0.00 0.82 0.00 0.00 66.70 67.72 2j6y h VAL 66 Cb 1.41 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2j6y h VAL 66 CO -0.17 0.06 -0.62 -0.26 0.02 0.00 0.00 177.57 176.59 2j6y h PHE 67 N 0.32 1.10 -0.83 1.57 0.04 -1.30 -1.87 116.94 115.96 2j6y h PHE 67 Ca 0.10 -0.42 0.13 0.00 2.80 0.00 0.00 57.97 60.58 2j6y h PHE 67 Cb -0.00 -0.19 -0.09 0.00 2.20 0.00 0.00 35.95 37.87 2j6y h PHE 67 CO -0.08 1.25 0.44 0.45 -0.60 0.00 0.00 178.31 179.77 2j6y h HIS 68 N 0.63 0.77 -0.71 -0.55 3.86 -0.62 0.07 115.15 118.61 2j6y h HIS 68 Ca -0.01 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 2j6y h HIS 68 Cb 1.24 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.46 2j6y h HIS 68 CO 0.08 0.22 0.28 0.66 0.86 0.00 0.00 177.93 180.04 2j6y h SER 69 N 0.66 0.96 0.29 2.45 4.64 -0.31 -2.58 113.55 119.66 2j6y h SER 69 Ca 0.44 -0.14 -0.12 0.00 -0.47 0.00 0.00 61.79 61.49 2j6y h SER 69 Cb 0.56 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2j6y h SER 69 CO -0.33 0.85 -0.50 -0.07 -0.87 0.00 0.00 176.83 175.92 2j6y h LEU 70 N 1.03 0.26 -0.99 5.97 3.38 -0.72 -1.45 115.31 122.77 2j6y h LEU 70 Ca 0.24 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.16 2j6y h LEU 70 Cb 0.19 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 2j6y h LEU 70 CO -0.02 0.72 0.64 0.44 0.09 0.00 0.00 178.44 180.30 2j6y h ASP 71 N 0.19 1.00 -0.35 -0.43 3.32 -0.66 0.14 116.42 119.63 2j6y h ASP 71 Ca 0.01 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 2j6y h ASP 71 Cb 0.94 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 2j6y h ASP 71 CO 0.08 0.61 -0.09 0.15 -1.72 0.00 0.00 179.24 178.27 2j6y h PHE 72 N 1.12 0.76 -0.83 4.55 3.57 -1.03 -2.43 116.94 122.66 2j6y h PHE 72 Ca 0.44 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 2j6y h PHE 72 Cb 0.24 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 2j6y h PHE 72 CO -0.00 0.84 0.41 1.25 -2.23 0.00 0.00 178.31 178.58 2j6y h LEU 73 N 0.46 1.06 -0.21 0.59 5.85 -0.79 -1.52 115.31 120.77 2j6y h LEU 73 Ca 0.09 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2j6y h LEU 73 Cb 0.60 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2j6y h LEU 73 CO 0.04 0.88 -0.02 0.40 -0.34 0.00 0.00 178.44 179.40 2j6y h ILE 74 N 1.17 0.83 -0.69 4.05 2.04 -0.68 -1.75 117.51 122.48 2j6y h ILE 74 Ca 0.29 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 66.20 2j6y h ILE 74 Cb 0.09 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 2j6y h ILE 74 CO -0.04 0.01 0.38 -0.08 0.00 0.00 0.00 178.15 178.42 2j6y h GLU 75 N 0.04 0.67 -0.51 2.37 4.57 -0.90 -2.38 114.58 118.43 2j6y h GLU 75 Ca 0.10 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.27 2j6y h GLU 75 Cb 0.13 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 2j6y h GLU 75 CO -0.18 0.44 0.29 0.28 -1.18 0.00 0.00 179.01 178.67 2j6y h VAL 76 N 0.69 1.02 0.00 0.32 2.07 -0.92 -2.97 116.25 116.46 2j6y h VAL 76 Ca 0.31 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 2j6y h VAL 76 Cb 0.22 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2j6y h VAL 76 CO -0.20 0.11 -0.13 0.24 0.02 0.00 0.00 177.57 177.61 2j6y h MET 77 N 0.58 0.00 -0.69 1.57 2.86 -0.83 -2.84 114.93 115.58 2j6y h MET 77 Ca 0.21 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.00 2j6y h MET 77 Cb 0.05 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.59 2j6y h MET 77 CO -0.11 0.13 -0.04 0.82 1.06 0.00 0.00 176.91 178.76 2j6y h ILE 78 N 0.00 0.38 -0.79 -1.22 2.04 -1.30 0.93 117.51 117.55 2j6y h ILE 78 Ca -0.00 -0.03 0.23 0.00 1.00 0.00 0.00 64.86 66.06 2j6y h ILE 78 Cb 0.43 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2j6y h ILE 78 CO 0.02 0.01 0.56 1.23 0.00 0.00 0.00 178.15 179.97 2j6y h GLY 79 N 0.08 0.02 1.55 5.37 0.00 -1.68 -0.98 103.07 107.43 2j6y h GLY 79 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2j6y h GLY 79 CO -0.63 -0.00 -0.33 -1.72 0.00 0.00 0.00 176.54 173.86 2j6y n TYR 80 N -4.31 0.70 -0.54 5.60 4.01 0.28 -3.82 117.16 119.08 2j6y n TYR 80 Ca 0.16 0.20 0.09 0.00 -0.16 0.00 0.00 57.90 58.20 2j6y n TYR 80 Cb 0.85 -0.77 0.32 0.00 -0.31 0.00 0.00 39.34 39.43 2j6y n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2j6y n GLY 81 N 1.33 2.79 0.00 2.72 0.00 -0.37 -4.81 105.19 106.85 2j6y n GLY 81 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2j6y n GLY 81 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47