#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j6y h VAL 6 N 0.00 0.89 0.41 3.84 -1.51 -2.05 -2.67 116.25 115.17 2j6y h VAL 6 Ca 0.00 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 65.20 2j6y h VAL 6 Cb 0.00 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 29.24 2j6y h VAL 6 CO 0.00 0.14 -0.28 -0.29 -1.23 0.00 0.00 177.57 175.91 2j6y h ILE 7 N 0.74 0.42 -0.46 7.19 6.09 -2.05 -0.02 117.51 129.43 2j6y h ILE 7 Ca 0.42 0.00 0.09 0.00 -1.37 0.00 0.00 64.86 64.00 2j6y h ILE 7 Cb 0.58 0.42 -0.08 0.00 0.47 0.00 0.00 36.82 38.21 2j6y h ILE 7 CO -0.18 0.00 -0.05 -0.33 -3.07 0.00 0.00 178.15 174.51 2j6y h GLU 8 N -0.67 0.05 -0.08 2.19 5.08 -1.99 0.22 114.58 119.38 2j6y h GLU 8 Ca -0.04 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2j6y h GLU 8 Cb 0.56 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2j6y h GLU 8 CO 0.02 0.04 -0.01 1.96 -1.00 0.00 0.00 179.01 180.02 2j6y h GLN 9 N 0.06 0.01 -0.17 2.33 1.08 -1.37 0.49 115.11 117.53 2j6y h GLN 9 Ca 0.23 -0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.44 2j6y h GLN 9 Cb 0.34 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 2j6y h GLN 9 CO -0.42 0.01 0.05 -0.09 -0.95 0.00 0.00 178.83 177.42 2j6y h ARG 10 N 0.01 0.12 -0.48 1.46 9.65 -0.72 -1.70 114.38 122.72 2j6y h ARG 10 Ca 0.04 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.98 2j6y h ARG 10 Cb 0.06 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.55 2j6y h ARG 10 CO -0.08 0.08 0.14 -0.92 2.80 0.00 0.00 179.97 181.99 2j6y h TYR 11 N 0.13 0.24 -0.92 2.20 3.20 -0.31 0.49 116.97 121.99 2j6y h TYR 11 Ca 0.07 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.06 2j6y h TYR 11 Cb 0.05 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.22 2j6y h TYR 11 CO -0.12 0.05 0.56 1.25 -1.64 0.00 0.00 178.16 178.27 2j6y h HIS 12 N 0.29 1.03 -0.14 -3.82 2.76 -0.60 0.08 115.15 114.75 2j6y h HIS 12 Ca 0.24 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.36 2j6y h HIS 12 Cb 0.28 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 2j6y h HIS 12 CO -0.19 0.45 -0.21 0.37 -1.30 0.00 0.00 177.93 177.05 2j6y h GLN 13 N 0.95 0.39 -0.37 5.26 4.15 -0.33 -2.08 115.11 123.08 2j6y h GLN 13 Ca 0.43 -0.23 -0.09 0.00 0.77 0.00 0.00 58.65 59.54 2j6y h GLN 13 Cb 0.35 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2j6y h GLN 13 CO -0.23 0.82 -0.10 -0.07 -1.93 0.00 0.00 178.83 177.31 2j6y h LEU 14 N -0.00 0.73 -0.41 -2.39 3.38 -0.49 -1.92 115.31 114.20 2j6y h LEU 14 Ca 0.01 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 2j6y h LEU 14 Cb 0.78 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2j6y h LEU 14 CO 0.05 0.93 -0.02 0.25 0.09 0.00 0.00 178.44 179.74 2j6y h LEU 15 N 0.52 0.72 -0.84 1.67 5.85 -1.04 -1.88 115.31 120.32 2j6y h LEU 15 Ca 0.09 -0.32 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 2j6y h LEU 15 Cb 0.62 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2j6y h LEU 15 CO 0.04 0.87 0.06 0.77 -0.34 0.00 0.00 178.44 179.84 2j6y h SER 16 N 0.56 0.89 0.25 1.25 4.64 -1.33 -1.12 113.55 118.70 2j6y h SER 16 Ca 0.11 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2j6y h SER 16 Cb 0.51 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2j6y h SER 16 CO 0.02 0.91 -0.19 -0.09 -0.87 0.00 0.00 176.83 176.62 2j6y h ARG 17 N 0.88 -0.42 -0.57 4.77 2.43 -1.17 -1.32 114.38 118.98 2j6y h ARG 17 Ca 0.17 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 2j6y h ARG 17 Cb 0.43 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 2j6y h ARG 17 CO 0.01 -0.28 0.25 -0.92 -1.51 0.00 0.00 179.97 177.52 2j6y h TYR 18 N -0.44 0.44 -0.61 2.20 3.20 -1.10 0.66 116.97 121.32 2j6y h TYR 18 Ca -0.02 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 2j6y h TYR 18 Cb 0.38 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 2j6y h TYR 18 CO -0.11 0.17 0.19 0.82 -1.64 0.00 0.00 178.16 177.59 2j6y h ILE 19 N 0.46 1.23 -0.19 1.81 2.04 -1.07 0.36 117.51 122.16 2j6y h ILE 19 Ca 0.27 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 2j6y h ILE 19 Cb 0.26 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2j6y h ILE 19 CO -0.23 0.30 -0.10 0.00 0.00 0.00 0.00 178.15 178.12 2j6y h ALA 20 N 1.32 0.27 0.04 1.87 0.00 -0.49 -3.39 119.26 118.87 2j6y h ALA 20 Ca 0.20 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 2j6y h ALA 20 Cb 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2j6y h ALA 20 CO -0.01 0.10 -1.48 0.93 0.00 0.00 0.00 179.25 178.79 2j6y h GLU 21 N 0.08 0.08 -5.61 0.00 5.08 -0.70 -3.49 114.58 110.03 2j6y h GLU 21 Ca 0.04 -0.13 -0.42 0.00 -1.00 0.00 0.00 59.36 57.85 2j6y h GLU 21 Cb 0.59 0.05 0.05 0.00 0.50 0.00 0.00 28.75 29.94 2j6y h GLU 21 CO 0.03 1.06 -0.67 1.28 -1.00 0.00 0.00 179.01 179.71 2j6y n LEU 22 N -4.16 -2.84 -4.80 1.33 4.77 0.13 -4.99 117.00 106.43 2j6y n LEU 22 Ca -0.32 -0.53 -0.26 0.00 -0.03 0.00 0.00 56.01 54.87 2j6y n LEU 22 Cb 0.79 -2.82 -0.05 0.00 -2.33 0.00 0.00 43.42 39.01 2j6y n LEU 22 CO 0.26 0.46 -0.21 0.42 -1.33 0.00 0.00 177.39 176.99 2j6y s THR 23 N -3.25 4.50 0.35 -5.08 -4.23 -1.26 -5.03 115.64 101.64 2j6y s THR 23 Ca 0.53 -1.10 0.03 0.00 -1.18 0.00 0.00 61.69 59.96 2j6y s THR 23 Cb -0.25 -3.31 0.27 0.00 1.34 0.00 0.00 72.50 70.56 2j6y s THR 23 CO 0.65 -0.13 2.00 0.50 -0.54 0.00 0.00 174.62 177.10 2j6y h LYS 24 N 2.32 0.83 -0.30 3.99 1.63 -1.99 -1.58 116.57 121.47 2j6y h LYS 24 Ca -0.48 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.26 2j6y h LYS 24 Cb 1.20 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.63 2j6y h LYS 24 CO 0.63 0.55 0.12 1.15 -3.45 0.00 0.00 179.45 178.45 2j6y h THR 25 N 0.85 1.18 -0.58 1.00 2.02 -1.99 0.16 112.91 115.55 2j6y h THR 25 Ca 0.26 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 2j6y h THR 25 Cb -0.01 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2j6y h THR 25 CO -0.07 0.19 0.09 -1.28 0.37 0.00 0.00 175.52 174.83 2j6y h SER 26 N 0.34 0.93 -0.41 4.18 0.87 -1.94 -3.00 113.55 114.51 2j6y h SER 26 Ca 0.10 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 2j6y h SER 26 Cb 0.18 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2j6y h SER 26 CO -0.01 0.95 0.20 0.25 -0.53 0.00 0.00 176.83 177.69 2j6y h LEU 27 N 0.86 0.53 -1.99 2.23 5.85 -1.12 -2.95 115.31 118.73 2j6y h LEU 27 Ca 0.18 -0.13 0.20 0.00 0.84 0.00 0.00 57.88 58.97 2j6y h LEU 27 Cb 0.42 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2j6y h LEU 27 CO 0.01 0.51 0.53 0.22 -0.34 0.00 0.00 178.44 179.37 2j6y h TYR 28 N 0.52 0.00 -0.06 1.25 3.20 -0.54 -1.09 116.97 120.25 2j6y h TYR 28 Ca 0.14 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.03 2j6y h TYR 28 Cb 0.12 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2j6y h TYR 28 CO -0.01 0.00 0.06 1.96 -1.64 0.00 0.00 178.16 178.53 2j6y h GLN 29 N 0.00 0.00 -0.72 1.82 1.08 -1.47 0.12 115.11 115.94 2j6y h GLN 29 Ca 0.33 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.67 2j6y h GLN 29 Cb 1.38 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.77 2j6y h GLN 29 CO -0.00 0.00 0.49 0.00 -0.95 0.00 0.00 178.83 178.36 2j6y h ALA 30 N 1.93 2.13 -0.06 3.87 0.00 -1.37 -1.86 119.26 123.91 2j6y h ALA 30 Ca 0.03 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2j6y h ALA 30 Cb 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2j6y h ALA 30 CO -0.00 -0.32 -0.53 1.96 0.00 0.00 0.00 179.25 180.36 2j6y h GLN 31 N 0.39 0.17 0.06 0.00 4.20 -0.93 -1.91 115.11 117.09 2j6y h GLN 31 Ca 0.35 -0.10 -0.26 0.00 0.06 0.00 0.00 58.65 58.70 2j6y h GLN 31 Cb 0.83 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.62 2j6y h GLN 31 CO -0.11 0.66 -1.10 0.87 -0.67 0.00 0.00 178.83 178.49 2j6y h LYS 32 N 0.13 0.43 -0.50 1.46 1.57 -1.51 -2.37 116.57 115.79 2j6y h LYS 32 Ca 0.00 -0.54 0.07 0.00 -1.87 0.00 0.00 60.65 58.31 2j6y h LYS 32 Cb 0.98 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.40 2j6y h LYS 32 CO 0.08 1.20 0.16 0.35 -0.57 0.00 0.00 179.45 180.67 2j6y h PHE 33 N 0.20 0.27 -0.01 -1.35 3.57 -1.26 -2.84 116.94 115.53 2j6y h PHE 33 Ca -0.12 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.25 2j6y h PHE 33 Cb 1.76 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.44 2j6y h PHE 33 CO 0.07 0.07 -0.71 0.66 -2.23 0.00 0.00 178.31 176.17 2j6y h SER 34 N 0.32 0.07 -0.57 0.41 4.64 -1.33 -0.93 113.55 116.17 2j6y h SER 34 Ca 0.24 -0.05 0.09 0.00 -0.47 0.00 0.00 61.79 61.61 2j6y h SER 34 Cb 0.28 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 62.28 2j6y h SER 34 CO -0.27 0.76 0.17 -0.09 -0.87 0.00 0.00 176.83 176.53 2j6y h ARG 35 N 0.04 0.32 0.73 4.77 2.43 -1.21 -1.57 114.38 119.90 2j6y h ARG 35 Ca -0.01 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2j6y h ARG 35 Cb 1.26 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2j6y h ARG 35 CO 0.10 0.21 -0.35 0.87 -1.51 0.00 0.00 179.97 179.29 2j6y h LYS 36 N 0.33 -0.95 -0.96 0.20 1.57 -1.18 -1.93 116.57 113.66 2j6y h LYS 36 Ca 0.29 0.06 0.21 0.00 -1.87 0.00 0.00 60.65 59.35 2j6y h LYS 36 Cb 0.37 0.22 -0.12 0.00 0.08 0.00 0.00 32.23 32.78 2j6y h LYS 36 CO -0.32 -0.63 0.53 1.79 -0.57 0.00 0.00 179.45 180.25 2j6y h THR 37 N -1.08 0.59 -0.29 -0.16 1.35 -0.96 0.36 112.91 112.73 2j6y h THR 37 Ca -0.10 -0.20 -0.07 0.00 -0.55 0.00 0.00 66.41 65.48 2j6y h THR 37 Cb 0.76 -0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 2j6y h THR 37 CO 0.17 0.11 -0.11 0.40 -0.25 0.00 0.00 175.52 175.84 2j6y h ILE 38 N 0.60 1.29 -0.81 6.82 2.04 -1.33 0.57 117.51 126.69 2j6y h ILE 38 Ca 0.59 -1.17 0.13 0.00 1.00 0.00 0.00 64.86 65.40 2j6y h ILE 38 Cb 1.03 1.45 -0.09 0.00 -0.74 0.00 0.00 36.82 38.47 2j6y h ILE 38 CO -0.45 0.37 0.41 -0.33 0.00 0.00 0.00 178.15 178.15 2j6y h GLU 39 N 0.33 0.60 -0.08 2.37 5.08 0.43 -0.95 114.58 122.37 2j6y h GLU 39 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2j6y h GLU 39 Cb 0.61 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2j6y h GLU 39 CO 0.04 0.40 0.00 0.72 -1.00 0.00 0.00 179.01 179.16 2j6y n HIS 40 N -4.87 0.10 -2.86 4.33 8.25 0.14 -4.91 115.22 115.39 2j6y n HIS 40 Ca 0.15 -0.05 -0.19 0.00 -0.26 0.00 0.00 57.72 57.37 2j6y n HIS 40 Cb 0.38 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.52 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 -0.33 -3.99 -2.58 -0.41 6.02 -0.36 -4.96 117.38 110.77 2j6y n GLN 41 Ca 0.11 0.77 -0.43 0.00 -0.01 0.00 0.00 57.00 57.44 2j6y n GLN 41 Cb 0.13 -5.32 -0.02 0.00 1.02 0.00 0.00 30.24 26.05 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 -3.07 4.55 0.62 5.09 1.01 0.06 -5.01 121.20 124.44 2j6y s ILE 42 Ca 0.24 1.85 -0.14 0.00 0.00 0.00 0.00 60.65 62.60 2j6y s ILE 42 Cb -0.11 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 2j6y s ILE 42 CO 0.30 -0.07 1.05 -2.16 0.00 0.00 0.00 174.94 174.06 2j6y s PRO 43 N 2.62 3.25 0.32 2.79 0.04 -1.26 -4.64 135.00 138.12 2j6y s PRO 43 Ca 0.50 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2j6y s PRO 43 Cb -0.19 -2.03 0.55 0.00 0.04 0.00 0.00 34.50 32.87 2j6y s PRO 43 CO 0.15 -0.86 1.98 -1.00 0.04 0.00 0.00 177.00 177.31 2j6y h PRO 44 N 0.13 0.96 -0.29 0.56 0.13 -1.95 -1.64 132.00 129.90 2j6y h PRO 44 Ca -0.46 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 2j6y h PRO 44 Cb 1.21 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 2j6y h PRO 44 CO 0.57 0.63 0.12 1.05 -0.23 0.00 0.00 178.00 180.14 2j6y h GLU 45 N 0.99 0.41 -0.11 0.86 9.09 -1.85 -1.95 114.58 122.02 2j6y h GLU 45 Ca 0.29 -0.04 -0.12 0.00 0.05 0.00 0.00 59.36 59.53 2j6y h GLU 45 Cb -0.04 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 26.97 2j6y h GLU 45 CO -0.07 0.34 -0.47 1.49 0.05 0.00 0.00 179.01 180.35 2j6y h GLU 46 N 0.41 0.27 -0.32 1.06 4.81 -1.67 -0.61 114.58 118.52 2j6y h GLU 46 Ca 0.10 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2j6y h GLU 46 Cb 0.09 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 2j6y h GLU 46 CO -0.01 0.69 0.08 0.82 -0.73 0.00 0.00 179.01 179.86 2j6y h ILE 47 N 0.22 0.86 -0.47 2.32 1.08 -1.23 -0.54 117.51 119.74 2j6y h ILE 47 Ca 0.01 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2j6y h ILE 47 Cb 0.92 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 2j6y h ILE 47 CO 0.07 0.04 0.28 0.40 -0.69 0.00 0.00 178.15 178.25 2j6y h ILE 48 N 0.20 1.15 -0.48 -0.67 1.08 -1.28 -1.34 117.51 116.17 2j6y h ILE 48 Ca 0.15 -0.36 0.09 0.00 -0.39 0.00 0.00 64.86 64.35 2j6y h ILE 48 Cb 0.15 0.53 -0.07 0.00 -3.07 0.00 0.00 36.82 34.37 2j6y h ILE 48 CO -0.19 0.16 0.05 0.28 -0.69 0.00 0.00 178.15 177.76 2j6y h SER 49 N 0.63 -0.10 -0.62 1.72 0.02 -0.97 -0.85 113.55 113.38 2j6y h SER 49 Ca 0.17 0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.26 2j6y h SER 49 Cb 0.01 0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 2j6y h SER 49 CO -0.03 -0.02 0.35 0.40 -1.14 0.00 0.00 176.83 176.39 2j6y h ILE 50 N 0.17 1.01 -0.59 3.27 2.04 -0.83 -1.75 117.51 120.82 2j6y h ILE 50 Ca 0.24 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2j6y h ILE 50 Cb 0.34 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 2j6y h ILE 50 CO -0.35 0.12 0.23 -0.74 0.00 0.00 0.00 178.15 177.41 2j6y h HIS 51 N 0.67 0.90 -0.40 1.37 2.76 -0.82 -0.30 115.15 119.34 2j6y h HIS 51 Ca 0.26 -0.07 0.07 0.00 -2.20 0.00 0.00 60.37 58.43 2j6y h HIS 51 Cb 0.11 -0.27 -0.06 0.00 1.55 0.00 0.00 27.41 28.75 2j6y h HIS 51 CO -0.07 0.72 0.05 -0.09 -1.30 0.00 0.00 177.93 177.24 2j6y h ARG 52 N 0.81 0.16 -0.04 5.26 2.43 -0.92 0.43 114.38 122.52 2j6y h ARG 52 Ca 0.20 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2j6y h ARG 52 Cb 0.21 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2j6y h ARG 52 CO -0.02 0.11 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.30 2j6y h LYS 53 N 0.17 0.09 -0.53 0.20 3.64 -0.97 -1.91 116.57 117.26 2j6y h LYS 53 Ca 0.19 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 2j6y h LYS 53 Cb 0.25 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2j6y h LYS 53 CO -0.28 0.51 -0.04 0.28 -2.27 0.00 0.00 179.45 177.65 2j6y h VAL 54 N -0.33 1.27 -0.81 2.00 2.07 -0.94 -1.41 116.25 118.10 2j6y h VAL 54 Ca 0.01 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 2j6y h VAL 54 Cb 0.49 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2j6y h VAL 54 CO 0.01 0.41 0.47 0.25 0.02 0.00 0.00 177.57 178.73 2j6y h LEU 55 N 0.84 0.98 -0.70 2.57 5.85 -0.12 0.27 115.31 125.00 2j6y h LEU 55 Ca 0.14 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2j6y h LEU 55 Cb 0.59 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2j6y h LEU 55 CO 0.04 0.77 0.42 0.50 -0.34 0.00 0.00 178.44 179.83 2j6y h LYS 56 N 1.11 0.96 -0.10 1.25 1.63 -1.17 0.20 116.57 120.44 2j6y h LYS 56 Ca 0.29 -0.09 0.01 0.00 -0.85 0.00 0.00 60.65 60.01 2j6y h LYS 56 Cb -0.02 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.40 2j6y h LYS 56 CO -0.05 0.68 0.04 0.93 -3.45 0.00 0.00 179.45 177.60 2j6y h GLU 57 N 0.96 0.10 -0.03 1.90 5.08 -0.82 -2.72 114.58 119.04 2j6y h GLU 57 Ca 0.25 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 2j6y h GLU 57 Cb -0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2j6y h GLU 57 CO -0.05 0.06 -0.49 -0.07 -1.00 0.00 0.00 179.01 177.47 2j6y h LEU 58 N 0.10 0.08 -6.09 1.33 3.38 -0.66 -3.38 115.31 110.07 2j6y h LEU 58 Ca 0.04 -0.04 -0.57 0.00 0.09 0.00 0.00 57.88 57.41 2j6y h LEU 58 Cb 0.01 -0.02 -0.39 0.00 0.09 0.00 0.00 40.66 40.35 2j6y h LEU 58 CO -0.04 0.55 -1.06 -1.22 0.09 0.00 0.00 178.44 176.77 2j6y n TYR 59 N -3.96 -0.26 0.35 1.13 4.01 0.69 -4.99 117.16 114.13 2j6y n TYR 59 Ca -0.02 -3.55 0.14 0.00 -0.16 0.00 0.00 57.90 54.32 2j6y n TYR 59 Cb 0.51 -0.24 0.58 0.00 -0.31 0.00 0.00 39.34 39.88 2j6y n TYR 59 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2j6y h PRO 60 N 4.34 0.00 -0.61 -0.72 0.13 -1.67 -2.81 132.00 130.66 2j6y h PRO 60 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2j6y h PRO 60 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2j6y h PRO 60 CO 0.46 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.10 2j6y n SER 61 N -2.51 5.40 -4.75 1.44 3.41 -1.26 -4.96 113.62 110.40 2j6y n SER 61 Ca 0.01 -2.78 -0.35 0.00 -0.26 0.00 0.00 58.87 55.49 2j6y n SER 61 Cb 0.23 -0.66 0.05 0.00 -0.26 0.00 0.00 64.21 63.58 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 -2.46 3.51 0.49 1.04 1.43 -1.06 -4.95 118.68 116.67 2j6y s LEU 62 Ca 0.53 2.30 -0.22 0.00 -1.03 0.00 0.00 54.13 55.71 2j6y s LEU 62 Cb 0.39 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.95 2j6y s LEU 62 CO 0.18 -1.79 1.21 -2.84 0.23 0.00 0.00 176.35 173.34 2j6y s PRO 63 N -3.65 3.57 0.58 1.29 0.02 -1.26 -4.88 135.00 130.68 2j6y s PRO 63 Ca 0.74 1.87 0.30 0.00 0.02 0.00 0.00 61.00 63.93 2j6y s PRO 63 Cb -0.28 -2.34 1.79 0.00 0.02 0.00 0.00 34.50 33.69 2j6y s PRO 63 CO 0.38 -0.73 2.24 1.49 -0.33 0.00 0.00 177.00 180.05 2j6y h GLU 64 N 1.84 0.00 0.00 5.54 4.57 -1.98 -2.37 114.58 122.17 2j6y h GLU 64 Ca -0.50 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.66 2j6y h GLU 64 Cb 1.26 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 2j6y h GLU 64 CO 0.59 0.01 -0.11 -0.44 -1.18 0.00 0.00 179.01 177.89 2j6y h ASP 65 N 0.00 0.00 -0.80 1.04 5.19 -1.99 -0.87 116.42 118.99 2j6y h ASP 65 Ca -0.00 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2j6y h ASP 65 Cb 0.04 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.51 2j6y h ASP 65 CO 0.00 0.11 0.53 0.58 -3.12 0.00 0.00 179.24 177.34 2j6y h VAL 66 N 0.00 1.20 -0.09 -1.35 2.07 -1.80 -0.26 116.25 116.02 2j6y h VAL 66 Ca -0.00 -0.37 -0.20 0.00 0.82 0.00 0.00 66.70 66.95 2j6y h VAL 66 Cb 0.21 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2j6y h VAL 66 CO 0.01 0.20 -0.72 -0.26 0.02 0.00 0.00 177.57 176.82 2j6y h PHE 67 N 1.08 0.89 -0.90 1.57 0.04 -1.43 -2.60 116.94 115.59 2j6y h PHE 67 Ca 0.30 -0.42 0.11 0.00 2.80 0.00 0.00 57.97 60.76 2j6y h PHE 67 Cb -0.11 -0.13 -0.08 0.00 2.20 0.00 0.00 35.95 37.83 2j6y h PHE 67 CO -0.02 1.24 0.53 0.45 -0.60 0.00 0.00 178.31 179.91 2j6y h HIS 68 N 0.29 0.95 -0.66 -0.55 3.86 -1.10 -1.85 115.15 116.10 2j6y h HIS 68 Ca -0.07 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.26 2j6y h HIS 68 Cb 1.37 -0.29 -0.06 0.00 1.06 0.00 0.00 27.41 29.49 2j6y h HIS 68 CO 0.11 0.36 0.33 0.66 0.86 0.00 0.00 177.93 180.24 2j6y h SER 69 N 0.84 0.44 0.31 2.45 4.64 -0.90 -2.32 113.55 118.99 2j6y h SER 69 Ca 0.45 0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.72 2j6y h SER 69 Cb 0.47 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 2j6y h SER 69 CO -0.28 0.26 -0.41 -0.07 -0.87 0.00 0.00 176.83 175.47 2j6y h LEU 70 N 0.58 0.14 -0.81 5.97 3.38 -1.01 -1.55 115.31 122.02 2j6y h LEU 70 Ca 0.32 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 2j6y h LEU 70 Cb 0.30 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2j6y h LEU 70 CO -0.24 0.54 0.03 0.44 0.09 0.00 0.00 178.44 179.30 2j6y h ASP 71 N 0.12 0.89 -0.56 -0.43 3.32 -0.83 0.21 116.42 119.14 2j6y h ASP 71 Ca 0.01 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 2j6y h ASP 71 Cb 0.77 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 2j6y h ASP 71 CO 0.06 0.94 0.12 0.15 -1.72 0.00 0.00 179.24 178.78 2j6y h PHE 72 N 0.86 0.96 -0.41 4.55 3.57 -0.98 -2.45 116.94 123.05 2j6y h PHE 72 Ca 0.17 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 2j6y h PHE 72 Cb 0.47 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2j6y h PHE 72 CO 0.03 0.84 0.02 1.25 -2.23 0.00 0.00 178.31 178.21 2j6y h LEU 73 N 0.81 0.68 -0.57 0.59 5.85 -0.84 -2.22 115.31 119.61 2j6y h LEU 73 Ca 0.17 -0.29 0.11 0.00 0.84 0.00 0.00 57.88 58.71 2j6y h LEU 73 Cb 0.37 -0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.11 2j6y h LEU 73 CO 0.01 0.81 -0.22 0.40 -0.34 0.00 0.00 178.44 179.10 2j6y h ILE 74 N 0.54 0.31 -0.66 4.05 2.04 -0.54 -2.23 117.51 121.02 2j6y h ILE 74 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 2j6y h ILE 74 Cb 0.45 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 2j6y h ILE 74 CO 0.02 0.00 0.42 -0.08 0.00 0.00 0.00 178.15 178.51 2j6y h GLU 75 N -0.08 0.88 -0.51 2.37 4.57 -1.09 -1.87 114.58 118.85 2j6y h GLU 75 Ca 0.26 -0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.45 2j6y h GLU 75 Cb 0.49 -0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 28.82 2j6y h GLU 75 CO -0.63 0.61 0.17 0.28 -1.18 0.00 0.00 179.01 178.26 2j6y h VAL 76 N 0.90 0.80 0.00 0.32 2.07 -1.06 -2.92 116.25 116.36 2j6y h VAL 76 Ca 0.24 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 2j6y h VAL 76 Cb -0.07 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2j6y h VAL 76 CO -0.05 0.06 -0.21 0.24 0.02 0.00 0.00 177.57 177.63 2j6y h MET 77 N 0.34 0.00 -0.26 1.57 2.86 -0.76 -3.05 114.93 115.62 2j6y h MET 77 Ca 0.25 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.93 2j6y h MET 77 Cb 0.28 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2j6y h MET 77 CO -0.27 0.21 -0.00 0.82 1.06 0.00 0.00 176.91 178.73 2j6y h ILE 78 N 0.00 0.81 -0.81 -1.22 2.04 -1.22 -1.23 117.51 115.88 2j6y h ILE 78 Ca -0.00 -0.03 0.12 0.00 1.00 0.00 0.00 64.86 65.95 2j6y h ILE 78 Cb 0.52 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 2j6y h ILE 78 CO 0.03 0.01 0.53 1.23 0.00 0.00 0.00 178.15 179.95 2j6y h GLY 79 N 0.08 1.02 0.84 5.37 0.00 -1.69 -1.24 103.07 107.46 2j6y h GLY 79 Ca 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 2j6y h GLY 79 CO -0.21 0.13 0.02 -0.97 0.00 0.00 0.00 176.54 175.51 2j6y h TYR 80 N 0.66 0.41 -0.42 5.60 -1.99 -1.35 0.74 116.97 120.63 2j6y h TYR 80 Ca 0.39 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 61.04 2j6y h TYR 80 Cb 0.59 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.19 2j6y h TYR 80 CO -0.00 0.54 0.22 0.78 -0.00 0.00 0.00 178.16 179.70 2j6y h GLY 81 N 0.17 0.64 1.28 3.88 0.00 -0.90 -2.59 103.07 105.55 2j6y h GLY 81 Ca 0.07 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 2j6y h GLY 81 CO 0.01 0.29 -0.24 -0.33 0.00 0.00 0.00 176.54 176.26 2j6y h MET 82 N 0.55 0.82 -0.05 4.80 2.86 -1.11 -1.90 114.93 120.91 2j6y h MET 82 Ca 0.15 -0.35 -0.11 0.00 -2.06 0.00 0.00 59.70 57.33 2j6y h MET 82 Cb 0.08 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2j6y h MET 82 CO -0.02 0.98 -0.49 0.00 1.06 0.00 0.00 176.91 178.43 2j6y h ALA 83 N 1.01 1.09 -0.02 6.32 0.00 -0.75 -3.19 119.26 123.73 2j6y h ALA 83 Ca 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2j6y h ALA 83 Cb 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2j6y h ALA 83 CO 0.06 0.64 -0.21 0.98 0.00 0.00 0.00 179.25 180.72 2j6y n TYR 84 N -3.95 0.00 0.00 0.00 9.36 -0.99 -5.10 117.16 116.48 2j6y n TYR 84 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 2j6y n TYR 84 Cb 0.52 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.23 2j6y n TYR 84 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12