#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6j n ALA 9 N 0.00 1.60 -3.52 1.57 0.00 -1.26 -4.50 120.51 114.40 1d6j n ALA 9 Ca 0.00 -0.89 -0.28 0.00 0.00 0.00 0.00 53.44 52.27 1d6j n ALA 9 Cb 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.35 1d6j n ALA 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1d6j s SER 10 N -5.50 2.57 0.04 0.00 0.15 -1.26 -5.12 113.70 104.58 1d6j s SER 10 Ca -0.19 -2.84 0.01 0.00 0.70 0.00 0.00 55.95 53.63 1d6j s SER 10 Cb 0.06 -0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 63.68 1d6j s SER 10 CO 0.51 -0.21 0.10 0.00 1.20 0.00 0.00 173.24 174.84 1d6j s ALA 11 N 0.22 3.66 -0.04 5.45 0.00 -1.26 -4.92 121.76 124.86 1d6j s ALA 11 Ca 0.26 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 1d6j s ALA 11 Cb -0.09 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.48 1d6j s ALA 11 CO -0.11 0.74 0.07 -0.11 0.00 0.00 0.00 175.76 176.35 1d6j n LEU 12 N 0.70 -4.62 -4.89 0.00 7.94 -1.26 -4.96 117.00 109.91 1d6j n LEU 12 Ca -0.10 1.56 -0.20 0.00 -1.11 0.00 0.00 56.01 56.16 1d6j n LEU 12 Cb 0.52 -2.34 -0.03 0.00 0.53 0.00 0.00 43.42 42.10 1d6j n LEU 12 CO 0.43 -2.03 -0.03 0.42 -1.11 0.00 0.00 177.39 175.08 1d6j s THR 13 N -0.37 3.48 0.15 1.96 -4.23 -1.26 -4.94 115.64 110.44 1d6j s THR 13 Ca -0.08 -1.27 -0.20 0.00 -1.18 0.00 0.00 61.69 58.96 1d6j s THR 13 Cb 0.01 -3.19 0.05 0.00 1.34 0.00 0.00 72.50 70.71 1d6j s THR 13 CO 0.20 -0.14 1.65 -0.09 -0.54 0.00 0.00 174.62 175.71 1d6j h ARG 14 N 1.11 -0.13 -0.39 3.99 2.43 -1.96 0.14 114.38 119.57 1d6j h ARG 14 Ca -0.44 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.80 1d6j h ARG 14 Cb 1.26 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.78 1d6j h ARG 14 CO 0.56 -0.09 0.07 0.77 -1.51 0.00 0.00 179.97 179.77 1d6j h SER 15 N -0.13 -0.01 -0.64 -3.80 0.02 -1.98 0.95 113.55 107.95 1d6j h SER 15 Ca 0.16 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1d6j h SER 15 Cb 0.37 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1d6j h SER 15 CO -0.38 0.03 0.12 -0.08 -1.14 0.00 0.00 176.83 175.38 1d6j h GLU 16 N 0.19 1.05 -0.47 3.45 4.81 -1.80 -1.59 114.58 120.22 1d6j h GLU 16 Ca 0.19 -0.27 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 1d6j h GLU 16 Cb 0.23 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1d6j h GLU 16 CO -0.25 0.97 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.86 1d6j h ARG 17 N 0.97 0.86 -0.11 1.92 2.43 0.32 -0.38 114.38 120.39 1d6j h ARG 17 Ca 0.20 -0.30 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1d6j h ARG 17 Cb 0.42 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1d6j h ARG 17 CO 0.01 0.93 -0.00 1.15 -1.51 0.00 0.00 179.97 180.55 1d6j h THR 18 N 0.70 0.93 -0.52 0.20 2.02 0.11 0.66 112.91 117.01 1d6j h THR 18 Ca 0.13 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.35 1d6j h THR 18 Cb 0.57 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 1d6j h THR 18 CO 0.03 0.01 0.25 -0.08 0.37 0.00 0.00 175.52 176.10 1d6j h GLU 19 N 0.04 0.46 0.00 6.66 4.81 -1.21 0.16 114.58 125.50 1d6j h GLU 19 Ca 0.05 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.09 1d6j h GLU 19 Cb 0.06 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1d6j h GLU 19 CO -0.09 0.31 -0.79 -0.07 -0.73 0.00 0.00 179.01 177.64 1d6j h LEU 20 N 0.48 0.00 0.00 1.64 3.38 -0.42 -3.23 115.31 117.16 1d6j h LEU 20 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1d6j h LEU 20 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1d6j h LEU 20 CO -0.19 0.79 -0.66 0.03 0.09 0.00 0.00 178.44 178.50 1d6j h ARG 21 N 0.00 0.00 -5.71 1.13 2.47 0.55 -3.49 114.38 109.34 1d6j h ARG 21 Ca -0.01 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.40 1d6j h ARG 21 Cb 1.50 0.00 0.16 0.00 -1.65 0.00 0.00 29.97 29.98 1d6j h ARG 21 CO 0.10 0.00 -0.88 -1.71 0.56 0.00 0.00 179.97 178.04 1d6j n ASN 22 N -2.42 -6.04 0.00 7.04 4.05 0.53 -4.97 115.26 113.44 1d6j n ASN 22 Ca 0.02 -0.81 0.00 0.00 0.45 0.00 0.00 54.58 54.25 1d6j n ASN 22 Cb 0.49 -4.62 0.00 0.00 1.23 0.00 0.00 39.78 36.87 1d6j n ASN 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1d6j n GLN 23 N -3.57 0.00 -3.03 1.20 10.64 -1.23 -4.41 117.38 116.99 1d6j n GLN 23 Ca -0.09 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.84 1d6j n GLN 23 Cb 0.61 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.00 1d6j n GLN 23 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1d6j s ARG 24 N -2.00 3.25 -0.07 2.61 0.52 -0.51 -4.69 118.95 118.05 1d6j s ARG 24 Ca 0.00 -0.33 -0.04 0.00 -0.52 0.00 0.00 55.73 54.85 1d6j s ARG 24 Cb 0.00 -2.55 -0.04 0.00 0.52 0.00 0.00 34.95 32.88 1d6j s ARG 24 CO 0.00 -0.16 0.10 0.20 0.02 0.00 0.00 175.30 175.46 1d6j s GLY 25 N -4.15 2.06 0.21 -3.53 0.00 -1.26 -4.39 107.32 96.25 1d6j s GLY 25 Ca 0.46 -0.75 -0.22 0.00 0.00 0.00 0.00 44.72 44.21 1d6j s GLY 25 CO 0.39 -0.54 0.96 0.48 0.00 0.00 0.00 173.10 174.38 1d6j s LEU 26 N -1.26 -0.08 -0.07 0.66 2.34 -0.41 -4.32 118.68 115.54 1d6j s LEU 26 Ca 0.18 -0.64 0.05 0.00 0.06 0.00 0.00 54.13 53.79 1d6j s LEU 26 Cb -0.12 2.26 -0.01 0.00 -0.56 0.00 0.00 46.19 47.76 1d6j s LEU 26 CO 0.08 -1.08 -0.24 -0.89 -1.06 0.00 0.00 176.35 173.16 1d6j s THR 27 N -2.72 2.00 -0.30 5.48 2.01 -0.61 -0.55 115.64 120.94 1d6j s THR 27 Ca 0.17 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 1d6j s THR 27 Cb -0.03 -1.70 0.04 0.00 0.01 0.00 0.00 72.50 70.82 1d6j s THR 27 CO 0.05 0.55 0.01 -0.63 -0.69 0.00 0.00 174.62 173.92 1d6j s ILE 28 N -0.03 3.16 -0.38 1.82 1.01 0.70 0.01 121.20 127.48 1d6j s ILE 28 Ca -0.07 -1.27 -0.12 0.00 0.00 0.00 0.00 60.65 59.19 1d6j s ILE 28 Cb -0.15 -2.78 0.03 0.00 0.01 0.00 0.00 42.46 39.57 1d6j s ILE 28 CO 0.05 -0.08 0.23 0.86 0.00 0.00 0.00 174.94 176.00 1d6j s TRP 29 N 1.30 3.24 -0.36 3.97 -0.11 0.50 -0.98 118.94 126.51 1d6j s TRP 29 Ca -0.04 -0.86 -0.20 0.00 1.22 0.00 0.00 56.10 56.21 1d6j s TRP 29 Cb -0.19 -2.48 0.00 0.00 -1.50 0.00 0.00 33.47 29.30 1d6j s TRP 29 CO -0.01 -0.63 0.64 -0.51 -4.62 0.00 0.00 176.95 171.82 1d6j s LEU 30 N 1.59 4.26 0.12 5.86 1.02 0.61 -0.95 118.68 131.19 1d6j s LEU 30 Ca 0.03 0.14 0.06 0.00 0.02 0.00 0.00 54.13 54.39 1d6j s LEU 30 Cb -0.19 -2.79 -0.04 0.00 0.02 0.00 0.00 46.19 43.19 1d6j s LEU 30 CO 0.08 -0.60 -0.04 0.28 0.02 0.00 0.00 176.35 176.09 1d6j s THR 31 N 2.71 3.69 0.00 5.49 -1.32 -0.27 -4.37 115.64 121.57 1d6j s THR 31 Ca 0.24 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1d6j s THR 31 Cb -0.14 -2.78 0.00 0.00 -1.51 0.00 0.00 72.50 68.07 1d6j s THR 31 CO 0.15 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 1d6j n GLY 32 N 0.39 1.80 3.63 6.08 0.00 -1.26 -0.86 105.19 114.97 1d6j n GLY 32 Ca -0.11 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 1d6j n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1d6j n LEU 33 N 0.00 3.48 -0.17 0.99 4.77 -1.26 -4.87 117.00 119.93 1d6j n LEU 33 Ca 0.00 0.60 0.17 0.00 -0.03 0.00 0.00 56.01 56.75 1d6j n LEU 33 Cb 0.00 -1.43 0.52 0.00 -2.33 0.00 0.00 43.42 40.18 1d6j n LEU 33 CO 0.00 -2.07 1.21 0.28 -1.33 0.00 0.00 177.39 175.49 1d6j h SER 34 N -0.67 0.36 -0.63 -1.43 0.02 -1.99 -0.41 113.55 108.81 1d6j h SER 34 Ca -0.46 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1d6j h SER 34 Cb 1.31 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1d6j h SER 34 CO 0.45 0.18 0.00 0.00 -1.14 0.00 0.00 176.83 176.32 1d6j n ALA 35 N -2.53 3.37 0.65 3.77 0.00 -1.26 -4.47 120.51 120.05 1d6j n ALA 35 Ca 0.15 -1.73 0.09 0.00 0.00 0.00 0.00 53.44 51.96 1d6j n ALA 35 Cb 0.58 -1.05 0.40 0.00 0.00 0.00 0.00 19.45 19.38 1d6j n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1d6j n SER 36 N 0.96 0.00 0.00 0.00 3.41 -0.16 -4.79 113.62 113.04 1d6j n SER 36 Ca 0.27 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1d6j n SER 36 Cb 1.01 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1d6j n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d6j n GLY 37 N 0.36 0.71 0.32 5.00 0.00 -1.26 -4.87 105.19 105.45 1d6j n GLY 37 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 1d6j n GLY 37 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1d6j h LYS 38 N 2.42 1.08 -0.92 1.61 2.10 -1.87 -1.79 116.57 119.20 1d6j h LYS 38 Ca 0.00 -0.08 0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1d6j h LYS 38 Cb 0.00 -0.24 -0.05 0.00 -0.90 0.00 0.00 32.23 31.04 1d6j h LYS 38 CO 0.00 0.74 0.60 0.77 -2.00 0.00 0.00 179.45 179.56 1d6j h SER 39 N 1.10 0.98 -0.22 7.07 0.02 -1.90 -1.65 113.55 118.95 1d6j h SER 39 Ca 0.29 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1d6j h SER 39 Cb -0.09 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 1d6j h SER 39 CO -0.06 0.66 0.03 0.74 -1.14 0.00 0.00 176.83 177.06 1d6j h THR 40 N 1.13 1.23 -0.62 -2.27 2.02 -1.86 -2.50 112.91 110.05 1d6j h THR 40 Ca 0.37 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1d6j h THR 40 Cb 0.05 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1d6j h THR 40 CO -0.12 0.25 0.35 -0.07 0.37 0.00 0.00 175.52 176.30 1d6j h LEU 41 N 0.17 0.75 0.07 2.58 3.38 -0.73 -2.18 115.31 119.35 1d6j h LEU 41 Ca 0.07 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1d6j h LEU 41 Cb 0.34 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1d6j h LEU 41 CO 0.01 0.59 -0.04 0.00 0.09 0.00 0.00 178.44 179.09 1d6j h ALA 42 N 1.53 -0.10 0.03 1.53 0.00 -1.14 0.32 119.26 121.43 1d6j h ALA 42 Ca 0.22 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1d6j h ALA 42 Cb -0.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1d6j h ALA 42 CO -0.04 -0.52 -0.20 0.28 0.00 0.00 0.00 179.25 178.77 1d6j h VAL 43 N -0.17 0.53 -0.73 0.00 2.07 -1.16 -0.96 116.25 115.83 1d6j h VAL 43 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1d6j h VAL 43 Cb 0.14 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1d6j h VAL 43 CO 0.02 0.00 0.32 -0.08 0.02 0.00 0.00 177.57 177.85 1d6j h GLU 44 N -0.33 1.07 -0.34 1.57 4.57 -1.20 -1.79 114.58 118.12 1d6j h GLU 44 Ca 0.05 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1d6j h GLU 44 Cb 0.40 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1d6j h GLU 44 CO -0.17 0.84 0.22 1.25 -1.18 0.00 0.00 179.01 179.98 1d6j h LEU 45 N 1.05 0.39 -0.19 1.64 5.85 -0.07 -0.83 115.31 123.16 1d6j h LEU 45 Ca 0.25 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1d6j h LEU 45 Cb 0.15 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1d6j h LEU 45 CO -0.03 0.29 0.07 -0.08 -0.34 0.00 0.00 178.44 178.35 1d6j h GLU 46 N 0.46 0.15 -0.16 1.25 4.81 -0.59 -1.46 114.58 119.03 1d6j h GLU 46 Ca 0.12 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1d6j h GLU 46 Cb -0.05 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.23 1d6j h GLU 46 CO -0.03 0.10 -0.41 0.45 -0.73 0.00 0.00 179.01 178.39 1d6j h HIS 47 N 0.16 -1.18 -0.25 0.92 3.86 -1.04 -1.46 115.15 116.16 1d6j h HIS 47 Ca 0.08 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1d6j h HIS 47 Cb 0.05 0.54 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1d6j h HIS 47 CO -0.11 -0.46 0.17 1.96 0.86 0.00 0.00 177.93 180.34 1d6j h GLN 48 N -0.46 0.33 -0.40 2.45 4.20 -0.93 0.39 115.11 120.68 1d6j h GLN 48 Ca 0.08 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.80 1d6j h GLN 48 Cb 0.61 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1d6j h GLN 48 CO -0.41 0.22 0.21 -0.07 -0.67 0.00 0.00 178.83 178.11 1d6j h LEU 49 N 0.34 0.31 0.25 1.46 3.38 -1.09 0.16 115.31 120.12 1d6j h LEU 49 Ca 0.09 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1d6j h LEU 49 Cb -0.04 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1d6j h LEU 49 CO -0.02 0.22 -0.12 0.58 0.09 0.00 0.00 178.44 179.19 1d6j h VAL 50 N 0.42 0.74 0.00 1.22 2.07 -1.15 -1.31 116.25 118.24 1d6j h VAL 50 Ca 0.17 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1d6j h VAL 50 Cb 0.07 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1d6j h VAL 50 CO -0.11 0.16 0.00 -1.14 0.02 0.00 0.00 177.57 176.49 1d6j n ARG 51 N -5.04 0.00 -0.14 1.57 0.63 0.13 -2.73 116.66 111.09 1d6j n ARG 51 Ca -0.09 0.35 -0.05 0.00 -0.92 0.00 0.00 57.85 57.14 1d6j n ARG 51 Cb 0.26 -1.12 0.13 0.00 0.45 0.00 0.00 32.46 32.18 1d6j n ARG 51 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1d6j h ASP 52 N 0.00 0.84 0.01 6.15 3.32 -0.92 -3.07 116.42 122.76 1d6j h ASP 52 Ca 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1d6j h ASP 52 Cb 0.00 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1d6j h ASP 52 CO 0.00 0.90 -0.16 0.54 -1.72 0.00 0.00 179.24 178.79 1d6j n ARG 53 N -4.21 1.70 -3.35 3.56 5.12 -0.13 -4.67 116.66 114.68 1d6j n ARG 53 Ca 0.03 -1.29 -0.24 0.00 -1.93 0.00 0.00 57.85 54.41 1d6j n ARG 53 Cb 0.30 -1.47 0.03 0.00 -1.16 0.00 0.00 32.46 30.16 1d6j n ARG 53 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1d6j n ARG 54 N 0.48 -5.24 -4.37 5.56 5.12 -0.93 -4.85 116.66 112.43 1d6j n ARG 54 Ca 0.14 0.75 -0.25 0.00 -1.93 0.00 0.00 57.85 56.56 1d6j n ARG 54 Cb 0.48 -5.62 -0.09 0.00 -1.16 0.00 0.00 32.46 26.07 1d6j n ARG 54 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1d6j s VAL 55 N -3.17 2.58 -0.21 1.55 0.11 -0.54 -5.00 120.40 115.71 1d6j s VAL 55 Ca 0.44 -2.01 -0.22 0.00 -2.93 0.00 0.00 61.98 57.25 1d6j s VAL 55 Cb -0.21 -2.77 -0.02 0.00 -1.53 0.00 0.00 36.38 31.86 1d6j s VAL 55 CO 0.54 -0.20 0.71 -2.28 -3.33 0.00 0.00 175.10 170.54 1d6j s HIS 56 N -2.53 3.35 0.02 1.54 5.65 -1.26 -3.96 115.29 118.11 1d6j s HIS 56 Ca 0.34 1.01 -0.04 0.00 0.25 0.00 0.00 55.06 56.63 1d6j s HIS 56 Cb 0.00 -2.90 -0.01 0.00 -1.18 0.00 0.00 32.58 28.49 1d6j s HIS 56 CO 0.19 -0.26 0.05 0.00 -0.65 0.00 0.00 174.74 174.07 1d6j s ALA 57 N 2.26 -0.01 -0.12 1.58 0.00 -1.26 -1.43 121.76 122.78 1d6j s ALA 57 Ca 0.31 -0.53 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 1d6j s ALA 57 Cb -0.16 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.20 1d6j s ALA 57 CO 0.10 -0.24 0.27 -0.47 0.00 0.00 0.00 175.76 175.42 1d6j s TYR 58 N -2.03 -0.38 -0.27 0.00 5.04 0.74 -4.88 117.35 115.57 1d6j s TYR 58 Ca -0.10 0.88 -0.26 0.00 -2.44 0.00 0.00 57.07 55.15 1d6j s TYR 58 Cb -0.05 0.07 0.00 0.00 0.35 0.00 0.00 41.96 42.33 1d6j s TYR 58 CO -0.02 -0.26 0.89 0.50 -1.34 0.00 0.00 175.55 175.32 1d6j s ARG 59 N 1.42 4.11 -1.06 4.97 3.52 -1.26 -0.34 118.95 130.32 1d6j s ARG 59 Ca -0.08 0.93 -0.01 0.00 -0.13 0.00 0.00 55.73 56.44 1d6j s ARG 59 Cb -0.10 -3.68 0.30 0.00 -1.56 0.00 0.00 34.95 29.91 1d6j s ARG 59 CO -0.09 -0.65 1.86 1.28 -0.81 0.00 0.00 175.30 176.89 1d6j n LEU 60 N 6.26 7.38 -4.17 -0.88 4.77 0.20 -4.89 117.00 125.67 1d6j n LEU 60 Ca 0.07 -5.34 -0.14 0.00 -0.03 0.00 0.00 56.01 50.57 1d6j n LEU 60 Cb 0.47 -1.19 -0.11 0.00 -2.33 0.00 0.00 43.42 40.27 1d6j n LEU 60 CO 0.51 2.03 -0.41 -1.81 -1.33 0.00 0.00 177.39 176.38 1d6j s ASP 61 N -1.22 1.37 0.00 -1.43 1.01 -1.26 -4.62 116.67 110.52 1d6j s ASP 61 Ca 0.40 -0.82 0.00 0.00 0.71 0.00 0.00 52.55 52.84 1d6j s ASP 61 Cb 0.18 0.02 0.00 0.00 1.01 0.00 0.00 42.92 44.13 1d6j s ASP 61 CO -0.12 -0.28 0.00 0.61 0.21 0.00 0.00 175.17 175.59 1d6j n GLY 62 N 0.55 1.22 0.24 0.21 0.00 -1.26 -4.70 105.19 101.45 1d6j n GLY 62 Ca -0.16 -2.22 0.06 0.00 0.00 0.00 0.00 46.02 43.71 1d6j n GLY 62 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1d6j h ASP 63 N 0.00 0.00 -0.89 1.61 3.32 -2.00 -2.50 116.42 115.96 1d6j h ASP 63 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1d6j h ASP 63 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1d6j h ASP 63 CO 0.00 0.13 0.58 -0.55 -1.72 0.00 0.00 179.24 177.68 1d6j h ASN 64 N 0.00 0.90 0.00 6.45 -1.07 -1.95 0.19 115.58 120.10 1d6j h ASN 64 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.37 1d6j h ASN 64 Cb 0.23 -0.19 0.00 0.00 -2.07 0.00 0.00 38.32 36.29 1d6j h ASN 64 CO 0.02 0.59 -0.00 0.40 0.07 0.00 0.00 177.43 178.50 1d6j h ILE 65 N 1.03 1.25 -0.64 6.14 1.08 -1.79 -2.29 117.51 122.29 1d6j h ILE 65 Ca 0.38 -1.93 0.10 0.00 -0.39 0.00 0.00 64.86 63.02 1d6j h ILE 65 Cb 0.18 2.36 -0.04 0.00 -3.07 0.00 0.00 36.82 36.25 1d6j h ILE 65 CO -0.14 0.42 0.42 -0.09 -0.69 0.00 0.00 178.15 178.08 1d6j h ARG 66 N -1.00 0.44 -0.35 2.37 2.43 -1.26 -1.19 114.38 115.82 1d6j h ARG 66 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1d6j h ARG 66 Cb 0.70 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1d6j h ARG 66 CO 0.00 0.29 0.00 1.19 -1.51 0.00 0.00 179.97 179.94 1d6j n PHE 67 N -4.47 0.46 0.00 2.20 3.01 0.64 -3.25 117.46 116.05 1d6j n PHE 67 Ca 0.11 -0.48 0.00 0.00 1.01 0.00 0.00 57.45 58.08 1d6j n PHE 67 Cb 0.37 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 1d6j n PHE 67 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1d6j n GLY 68 N 0.55 0.93 0.36 1.37 0.00 -0.84 -4.58 105.19 102.98 1d6j n GLY 68 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1d6j n GLY 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1d6j h LEU 69 N 0.00 0.91 -3.72 0.99 5.85 -1.69 -1.77 115.31 115.88 1d6j h LEU 69 Ca 0.00 0.05 -0.31 0.00 0.84 0.00 0.00 57.88 58.47 1d6j h LEU 69 Cb 0.00 -0.13 -0.18 0.00 0.37 0.00 0.00 40.66 40.72 1d6j h LEU 69 CO 0.00 0.47 0.32 0.59 -0.34 0.00 0.00 178.44 179.48 1d6j n ASN 70 N -4.62 3.88 0.20 1.25 3.02 -0.51 -4.58 115.26 113.89 1d6j n ASN 70 Ca 0.19 -3.47 0.15 0.00 -0.03 0.00 0.00 54.58 51.42 1d6j n ASN 70 Cb 0.38 -0.74 0.65 0.00 -0.61 0.00 0.00 39.78 39.45 1d6j n ASN 70 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1d6j h LYS 71 N 1.64 0.00 -0.01 3.52 2.10 -1.29 -1.74 116.57 120.79 1d6j h LYS 71 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 1d6j h LYS 71 Cb 2.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.66 1d6j h LYS 71 CO 0.77 0.00 -0.08 -0.40 -2.00 0.00 0.00 179.45 177.74 1d6j n ASP 72 N -2.58 1.04 -4.73 7.07 5.75 -1.26 -4.90 116.55 116.94 1d6j n ASP 72 Ca 0.00 -1.14 -0.33 0.00 -0.01 0.00 0.00 54.79 53.31 1d6j n ASP 72 Cb 0.20 0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.23 1d6j n ASP 72 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1d6j s LEU 73 N -2.20 3.71 0.00 -2.12 1.43 -0.65 -5.10 118.68 113.74 1d6j s LEU 73 Ca 0.34 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 1d6j s LEU 73 Cb 0.21 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.36 1d6j s LEU 73 CO 0.41 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.90 1d6j n GLY 74 N 1.53 4.76 0.27 -3.19 0.00 -1.26 -5.06 105.19 102.23 1d6j n GLY 74 Ca -0.15 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.33 1d6j n GLY 74 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d6j n PHE 75 N 0.00 0.00 -1.22 1.61 0.99 -1.26 -4.39 117.46 113.19 1d6j n PHE 75 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.07 1d6j n PHE 75 Cb 0.00 -0.09 0.02 0.00 -1.00 0.00 0.00 39.48 38.41 1d6j n PHE 75 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1d6j n SER 76 N -0.65 -3.87 0.06 4.37 2.88 -1.26 -4.67 113.62 110.48 1d6j n SER 76 Ca 0.10 0.59 -0.14 0.00 -1.33 0.00 0.00 58.87 58.09 1d6j n SER 76 Cb 0.38 -0.85 -0.05 0.00 -0.75 0.00 0.00 64.21 62.94 1d6j n SER 76 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1d6j h GLU 77 N -0.15 0.44 -0.30 -1.46 4.81 -1.99 0.61 114.58 116.55 1d6j h GLU 77 Ca -0.42 -0.47 -0.07 0.00 -0.13 0.00 0.00 59.36 58.27 1d6j h GLU 77 Cb 1.42 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.92 1d6j h GLU 77 CO 0.39 1.12 -0.12 0.00 -0.73 0.00 0.00 179.01 179.68 1d6j h ALA 78 N 0.71 1.23 -0.18 2.92 0.00 -1.99 -1.75 119.26 120.21 1d6j h ALA 78 Ca -0.08 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 1d6j h ALA 78 Cb 1.58 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1d6j h ALA 78 CO 0.17 0.50 -0.64 -0.44 0.00 0.00 0.00 179.25 178.83 1d6j h ASP 79 N 0.47 0.77 -0.16 0.00 5.19 -1.78 -1.11 116.42 119.80 1d6j h ASP 79 Ca 0.09 -0.46 0.01 0.00 -0.62 0.00 0.00 57.03 56.05 1d6j h ASP 79 Cb 0.49 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1d6j h ASP 79 CO 0.03 1.22 0.07 -0.09 -3.12 0.00 0.00 179.24 177.34 1d6j h ARG 80 N 0.49 0.15 -0.80 3.56 2.43 -0.66 0.51 114.38 120.06 1d6j h ARG 80 Ca -0.01 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1d6j h ARG 80 Cb 1.23 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 1d6j h ARG 80 CO 0.13 0.10 0.38 -0.91 -1.51 0.00 0.00 179.97 178.15 1d6j h ASN 81 N 0.15 1.05 -0.16 -3.80 2.35 -1.12 -1.82 115.58 112.24 1d6j h ASN 81 Ca 0.07 -0.13 -0.14 0.00 -0.55 0.00 0.00 56.30 55.55 1d6j h ASN 81 Cb 0.03 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1d6j h ASN 81 CO -0.06 0.89 -0.39 -0.08 -1.65 0.00 0.00 177.43 176.15 1d6j h GLU 82 N 1.15 0.68 -0.13 0.81 4.57 -0.66 0.85 114.58 121.84 1d6j h GLU 82 Ca 0.28 -0.35 0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1d6j h GLU 82 Cb 0.13 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1d6j h GLU 82 CO -0.03 0.96 -0.05 -0.91 -1.18 0.00 0.00 179.01 177.80 1d6j h ASN 83 N 0.56 -0.16 -0.58 1.04 2.35 0.52 -0.78 115.58 118.52 1d6j h ASN 83 Ca 0.05 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1d6j h ASN 83 Cb 0.92 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.36 1d6j h ASN 83 CO 0.08 -0.06 0.34 0.40 -1.65 0.00 0.00 177.43 176.54 1d6j h ILE 84 N -0.02 1.18 -0.60 2.81 2.04 -1.14 -1.71 117.51 120.06 1d6j h ILE 84 Ca 0.07 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1d6j h ILE 84 Cb 0.13 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1d6j h ILE 84 CO -0.15 0.19 0.30 -0.09 0.00 0.00 0.00 178.15 178.40 1d6j h ARG 85 N 0.78 0.86 -0.46 2.37 2.43 -0.36 -1.34 114.38 118.66 1d6j h ARG 85 Ca 0.21 -0.12 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 1d6j h ARG 85 Cb 0.01 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1d6j h ARG 85 CO -0.04 0.69 -0.12 0.00 -1.51 0.00 0.00 179.97 178.99 1d6j h ARG 86 N 0.82 0.89 -0.71 0.20 3.08 -1.06 -0.92 114.38 116.69 1d6j h ARG 86 Ca 0.21 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1d6j h ARG 86 Cb 0.10 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1d6j h ARG 86 CO -0.03 0.99 0.24 0.82 -1.07 0.00 0.00 179.97 180.92 1d6j h ILE 87 N 0.73 1.25 -0.49 2.04 2.04 -1.14 0.06 117.51 122.00 1d6j h ILE 87 Ca 0.12 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 1d6j h ILE 87 Cb 0.66 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1d6j h ILE 87 CO 0.05 0.33 0.04 0.00 0.00 0.00 0.00 178.15 178.57 1d6j h ALA 88 N 1.22 1.15 -0.27 1.87 0.00 -0.86 0.14 119.26 122.51 1d6j h ALA 88 Ca 0.23 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1d6j h ALA 88 Cb 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1d6j h ALA 88 CO -0.01 0.55 -0.57 0.93 0.00 0.00 0.00 179.25 180.16 1d6j h GLU 89 N 0.74 0.83 -0.42 0.00 4.39 -0.66 0.16 114.58 119.63 1d6j h GLU 89 Ca 0.15 -0.54 -0.11 0.00 0.34 0.00 0.00 59.36 59.21 1d6j h GLU 89 Cb 0.40 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1d6j h GLU 89 CO 0.01 1.17 -0.18 0.28 -1.16 0.00 0.00 179.01 179.13 1d6j h VAL 90 N 0.63 1.27 -0.60 3.13 2.07 -0.64 -1.61 116.25 120.50 1d6j h VAL 90 Ca 0.01 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.20 1d6j h VAL 90 Cb 1.17 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 1d6j h VAL 90 CO 0.12 0.43 0.17 0.00 0.02 0.00 0.00 177.57 178.31 1d6j h ALA 91 N 1.09 1.16 -0.44 1.67 0.00 -0.53 -1.39 119.26 120.82 1d6j h ALA 91 Ca 0.11 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1d6j h ALA 91 Cb 0.68 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1d6j h ALA 91 CO 0.05 0.58 0.07 -0.22 0.00 0.00 0.00 179.25 179.73 1d6j h LYS 92 N 0.89 0.67 -0.26 0.00 3.64 -0.41 -0.29 116.57 120.81 1d6j h LYS 92 Ca 0.20 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1d6j h LYS 92 Cb 0.29 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1d6j h LYS 92 CO -0.00 0.64 0.09 -0.07 -2.27 0.00 0.00 179.45 177.84 1d6j h LEU 93 N 0.65 0.38 -0.62 5.20 3.38 -0.34 0.15 115.31 124.10 1d6j h LEU 93 Ca 0.14 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1d6j h LEU 93 Cb 0.30 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1d6j h LEU 93 CO 0.00 0.46 0.39 -0.26 0.09 0.00 0.00 178.44 179.12 1d6j h PHE 94 N 0.27 0.73 -0.25 1.13 -1.00 -0.87 -0.97 116.94 115.97 1d6j h PHE 94 Ca 0.09 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.82 1d6j h PHE 94 Cb 0.21 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 1d6j h PHE 94 CO -0.00 0.43 -0.12 0.00 -1.61 0.00 0.00 178.31 177.01 1d6j h ALA 95 N 1.26 1.33 -0.03 2.45 0.00 -0.79 -1.18 119.26 122.30 1d6j h ALA 95 Ca 0.24 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1d6j h ALA 95 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1d6j h ALA 95 CO -0.09 0.45 -0.26 0.22 0.00 0.00 0.00 179.25 179.57 1d6j h ASP 96 N 0.39 0.06 -0.09 0.00 3.58 0.18 -1.67 116.42 118.86 1d6j h ASP 96 Ca 0.08 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1d6j h ASP 96 Cb 0.45 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1d6j h ASP 96 CO 0.03 0.32 0.00 -1.54 -2.88 0.00 0.00 179.24 175.16 1d6j n SER 97 N -4.21 0.84 -2.48 2.28 3.41 -0.45 -4.89 113.62 108.12 1d6j n SER 97 Ca -0.02 -1.61 -0.11 0.00 -0.26 0.00 0.00 58.87 56.87 1d6j n SER 97 Cb 0.32 -0.06 0.05 0.00 -0.26 0.00 0.00 64.21 64.27 1d6j n SER 97 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1d6j n ASN 98 N -0.21 -2.45 -4.43 4.04 4.13 -0.63 -5.00 115.26 110.72 1d6j n ASN 98 Ca 0.14 -0.37 -0.21 0.00 1.68 0.00 0.00 54.58 55.81 1d6j n ASN 98 Cb 0.19 -3.35 -0.10 0.00 -1.54 0.00 0.00 39.78 34.98 1d6j n ASN 98 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1d6j s SER 99 N -3.74 2.89 -0.38 6.41 0.15 -0.53 -4.56 113.70 113.95 1d6j s SER 99 Ca 0.06 -1.15 -0.10 0.00 0.70 0.00 0.00 55.95 55.46 1d6j s SER 99 Cb -0.03 -0.19 0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1d6j s SER 99 CO 0.45 -0.27 0.20 -0.63 1.20 0.00 0.00 173.24 174.19 1d6j s ILE 100 N -2.92 4.38 0.15 6.45 1.01 -0.51 -1.29 121.20 128.47 1d6j s ILE 100 Ca 0.29 -1.00 -0.25 0.00 0.00 0.00 0.00 60.65 59.69 1d6j s ILE 100 Cb 0.02 -3.49 -0.08 0.00 0.01 0.00 0.00 42.46 38.92 1d6j s ILE 100 CO 0.12 -0.27 0.76 0.00 0.00 0.00 0.00 174.94 175.54 1d6j s ALA 101 N 1.51 3.46 -0.07 9.38 0.00 0.28 -0.18 121.76 136.13 1d6j s ALA 101 Ca 0.01 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.33 1d6j s ALA 101 Cb -0.20 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.00 1d6j s ALA 101 CO 0.05 0.30 -0.12 0.42 0.00 0.00 0.00 175.76 176.41 1d6j s ILE 102 N -1.11 1.15 -0.00 0.00 1.01 0.54 -0.22 121.20 122.57 1d6j s ILE 102 Ca 0.35 -0.47 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 1d6j s ILE 102 Cb -0.23 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1d6j s ILE 102 CO 0.26 0.36 0.15 0.28 0.00 0.00 0.00 174.94 175.99 1d6j s THR 103 N 0.79 0.08 -0.06 2.92 -1.32 -0.16 0.59 115.64 118.48 1d6j s THR 103 Ca -0.12 -0.65 0.09 0.00 -1.21 0.00 0.00 61.69 59.81 1d6j s THR 103 Cb -0.15 -0.44 0.14 0.00 -1.51 0.00 0.00 72.50 70.54 1d6j s THR 103 CO 0.02 -0.35 1.04 -1.54 -2.21 0.00 0.00 174.62 171.57 1d6j n SER 104 N 1.50 1.76 -4.52 8.08 3.41 -1.26 -0.28 113.62 122.31 1d6j n SER 104 Ca -0.22 -2.46 -0.43 0.00 -0.26 0.00 0.00 58.87 55.50 1d6j n SER 104 Cb 0.56 -0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1d6j n SER 104 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1d6j n PHE 105 N -0.86 0.35 -1.68 7.33 7.35 -1.26 -4.81 117.46 123.88 1d6j n PHE 105 Ca 0.08 0.66 -0.43 0.00 -0.76 0.00 0.00 57.45 56.99 1d6j n PHE 105 Cb 0.52 -2.11 -0.03 0.00 0.35 0.00 0.00 39.48 38.21 1d6j n PHE 105 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 1d6j n ILE 106 N -0.41 0.45 -2.84 -2.13 3.06 -1.26 -4.90 119.36 111.33 1d6j n ILE 106 Ca 0.11 -0.08 -0.09 0.00 -2.50 0.00 0.00 62.75 60.19 1d6j n ILE 106 Cb 0.36 -2.09 0.01 0.00 0.54 0.00 0.00 39.64 38.46 1d6j n ILE 106 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1d6j n SER 107 N 6.01 -2.65 -0.08 9.51 3.41 -1.26 -4.89 113.62 123.67 1d6j n SER 107 Ca 0.19 -3.05 0.19 0.00 -0.26 0.00 0.00 58.87 55.94 1d6j n SER 107 Cb 0.36 1.41 0.62 0.00 -0.26 0.00 0.00 64.21 66.34 1d6j n SER 107 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1d6j h PRO 108 N 4.47 0.17 -6.10 4.33 0.11 -1.92 -3.44 132.00 129.61 1d6j h PRO 108 Ca -0.02 -0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.52 1d6j h PRO 108 Cb 1.04 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 1d6j h PRO 108 CO 0.23 0.11 -0.51 0.71 -0.21 0.00 0.00 178.00 178.33 1d6j s TYR 109 N -5.17 3.35 0.28 0.65 4.12 -1.26 0.62 117.35 119.94 1d6j s TYR 109 Ca -0.06 0.07 0.00 0.00 0.02 0.00 0.00 57.07 57.10 1d6j s TYR 109 Cb 0.20 -1.61 0.41 0.00 -1.52 0.00 0.00 41.96 39.44 1d6j s TYR 109 CO 0.75 0.52 1.78 0.00 0.02 0.00 0.00 175.55 178.62 1d6j h ARG 110 N 2.30 0.69 -0.89 -0.62 3.08 -1.86 -1.01 114.38 116.06 1d6j h ARG 110 Ca -0.48 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 59.44 1d6j h ARG 110 Cb 1.19 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.11 1d6j h ARG 110 CO 0.67 0.73 0.58 1.57 -1.07 0.00 0.00 179.97 182.45 1d6j h LYS 111 N 0.64 1.00 0.41 0.04 2.10 -1.96 0.34 116.57 119.14 1d6j h LYS 111 Ca 0.12 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 1d6j h LYS 111 Cb 0.45 -0.22 -0.02 0.00 -0.90 0.00 0.00 32.23 31.54 1d6j h LYS 111 CO 0.02 0.66 -0.37 -0.44 -2.00 0.00 0.00 179.45 177.32 1d6j h ASP 112 N 1.03 -0.98 0.28 7.07 3.32 -1.52 0.23 116.42 125.83 1d6j h ASP 112 Ca 0.38 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.38 1d6j h ASP 112 Cb 0.17 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1d6j h ASP 112 CO -0.14 -0.52 -0.52 0.03 -1.72 0.00 0.00 179.24 176.37 1d6j h ARG 113 N -0.79 0.27 -0.28 3.56 -0.00 -1.40 -2.53 114.38 113.21 1d6j h ARG 113 Ca -0.04 -0.16 -0.06 0.00 -0.50 0.00 0.00 59.98 59.22 1d6j h ARG 113 Cb 0.69 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.66 1d6j h ARG 113 CO -0.04 0.72 -0.10 -0.44 0.00 0.00 0.00 179.97 180.12 1d6j h ASP 114 N 0.21 0.43 -0.25 7.04 3.45 -0.03 0.22 116.42 127.50 1d6j h ASP 114 Ca 0.01 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.35 1d6j h ASP 114 Cb 0.98 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.63 1d6j h ASP 114 CO 0.08 0.57 0.09 0.74 -1.57 0.00 0.00 179.24 179.15 1d6j h THR 115 N 0.43 1.18 -0.65 0.35 2.02 -0.16 0.47 112.91 116.56 1d6j h THR 115 Ca 0.08 -0.57 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 1d6j h THR 115 Cb 0.44 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1d6j h THR 115 CO 0.02 0.19 0.19 0.00 0.37 0.00 0.00 175.52 176.29 1d6j h ALA 116 N 0.92 0.85 -0.59 6.16 0.00 -1.05 -2.67 119.26 122.89 1d6j h ALA 116 Ca 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1d6j h ALA 116 Cb 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1d6j h ALA 116 CO -0.00 0.53 0.24 -0.09 0.00 0.00 0.00 179.25 179.93 1d6j h ARG 117 N 0.94 0.88 -0.58 0.00 2.43 -0.31 -2.69 114.38 115.05 1d6j h ARG 117 Ca 0.21 -0.16 0.08 0.00 -0.81 0.00 0.00 59.98 59.30 1d6j h ARG 117 Cb 0.31 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.65 1d6j h ARG 117 CO -0.00 0.75 0.22 0.37 -1.51 0.00 0.00 179.97 179.80 1d6j h GLN 118 N 0.81 0.40 -0.67 0.20 -0.00 -0.57 -0.26 115.11 115.03 1d6j h GLN 118 Ca 0.20 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.82 1d6j h GLN 118 Cb 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.55 1d6j h GLN 118 CO -0.02 0.27 0.40 -0.07 0.00 0.00 0.00 178.83 179.41 1d6j h LEU 119 N 0.41 0.79 -0.22 -2.39 3.38 -1.28 -2.03 115.31 113.98 1d6j h LEU 119 Ca 0.29 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 58.01 1d6j h LEU 119 Cb 0.33 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1d6j h LEU 119 CO -0.28 0.61 -0.69 0.45 0.09 0.00 0.00 178.44 178.62 1d6j h HIS 120 N 0.92 1.08 0.00 1.13 3.86 -0.91 -3.21 115.15 118.01 1d6j h HIS 120 Ca 0.24 -0.44 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1d6j h HIS 120 Cb -0.04 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.25 1d6j h HIS 120 CO 0.00 1.27 0.00 0.39 0.86 0.00 0.00 177.93 180.46 1d6j n GLU 121 N -3.96 0.01 -2.32 2.45 1.02 -0.23 0.12 120.64 117.74 1d6j n GLU 121 Ca -0.06 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.67 1d6j n GLU 121 Cb 0.70 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.58 1d6j n GLU 121 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1d6j s VAL 122 N -3.01 4.09 -0.41 2.62 1.01 -0.78 -3.44 120.40 120.48 1d6j s VAL 122 Ca 0.14 1.34 -0.42 0.00 0.00 0.00 0.00 61.98 63.03 1d6j s VAL 122 Cb 0.19 -3.86 -0.17 0.00 0.00 0.00 0.00 36.38 32.53 1d6j s VAL 122 CO 0.53 -0.10 1.89 0.00 0.00 0.00 0.00 175.10 177.42 1d6j n ALA 123 N 6.53 -0.16 -1.80 5.51 0.00 -1.26 -4.36 120.51 124.96 1d6j n ALA 123 Ca 0.14 0.29 -0.32 0.00 0.00 0.00 0.00 53.44 53.55 1d6j n ALA 123 Cb 0.44 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 1d6j n ALA 123 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1d6j s THR 124 N 4.70 4.33 -0.39 0.00 -1.32 -0.92 -4.88 115.64 117.16 1d6j s THR 124 Ca 1.08 1.17 -0.43 0.00 -1.21 0.00 0.00 61.69 62.30 1d6j s THR 124 Cb -1.26 -3.62 -0.17 0.00 -1.51 0.00 0.00 72.50 65.94 1d6j s THR 124 CO 0.67 -0.58 1.79 -0.81 -2.21 0.00 0.00 174.62 173.47 1d6j n PRO 125 N -1.53 0.60 0.00 7.08 -0.04 -1.26 -1.36 135.00 138.49 1d6j n PRO 125 Ca 0.07 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1d6j n PRO 125 Cb 0.54 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1d6j n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1d6j n GLY 126 N 4.76 2.77 3.84 0.55 0.00 -1.26 -5.01 105.19 110.84 1d6j n GLY 126 Ca 0.33 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 1d6j n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1d6j s GLU 127 N 0.00 4.07 -0.41 1.61 0.41 -0.46 -4.96 118.70 118.96 1d6j s GLU 127 Ca 0.00 0.66 0.03 0.00 -0.41 0.00 0.00 54.97 55.26 1d6j s GLU 127 Cb 0.00 -2.73 0.58 0.00 -1.78 0.00 0.00 34.13 30.20 1d6j s GLU 127 CO 0.00 0.33 1.82 -0.85 -0.49 0.00 0.00 175.26 176.07 1d6j n GLU 128 N 0.31 2.12 -3.76 1.61 0.28 -1.26 -3.93 120.64 116.01 1d6j n GLU 128 Ca -0.01 -2.66 -0.10 0.00 -0.16 0.00 0.00 57.16 54.23 1d6j n GLU 128 Cb 0.52 -2.04 -0.06 0.00 1.43 0.00 0.00 31.44 31.28 1d6j n GLU 128 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1d6j s THR 129 N -2.98 0.10 0.00 3.84 -1.32 -1.26 -4.89 115.64 109.13 1d6j s THR 129 Ca 0.51 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 60.15 1d6j s THR 129 Cb 0.42 -1.15 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 1d6j s THR 129 CO 0.09 -0.46 0.00 0.61 -2.21 0.00 0.00 174.62 172.65 1d6j n GLY 130 N 0.11 0.62 3.26 6.08 0.00 -1.22 -2.16 105.19 111.88 1d6j n GLY 130 Ca -0.17 -1.79 -0.22 0.00 0.00 0.00 0.00 46.02 43.84 1d6j n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d6j s LEU 131 N 0.00 2.29 0.23 0.99 1.43 0.33 -4.88 118.68 119.07 1d6j s LEU 131 Ca 0.00 -0.67 -0.32 0.00 -1.03 0.00 0.00 54.13 52.12 1d6j s LEU 131 Cb 0.00 -0.79 -0.12 0.00 0.03 0.00 0.00 46.19 45.31 1d6j s LEU 131 CO 0.00 0.02 1.65 -2.65 0.23 0.00 0.00 176.35 175.61 1d6j n PRO 132 N 1.14 2.65 -3.98 1.29 -0.02 -1.26 -4.14 135.00 130.69 1d6j n PRO 132 Ca -0.20 0.95 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 1d6j n PRO 132 Cb 0.54 -2.76 -0.14 0.00 -0.02 0.00 0.00 33.50 31.11 1d6j n PRO 132 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1d6j s PHE 133 N 0.71 3.33 -0.49 6.00 5.36 -1.26 -1.58 117.98 130.04 1d6j s PHE 133 Ca 0.72 -2.18 -0.15 0.00 -0.96 0.00 0.00 56.93 54.35 1d6j s PHE 133 Cb -0.53 -2.17 0.09 0.00 -0.34 0.00 0.00 43.02 40.08 1d6j s PHE 133 CO 0.39 -0.86 0.42 0.08 -1.46 0.00 0.00 175.22 173.80 1d6j s VAL 134 N 1.16 5.20 -0.43 3.12 1.01 0.10 -4.94 120.40 125.61 1d6j s VAL 134 Ca -0.05 -1.21 -0.22 0.00 0.00 0.00 0.00 61.98 60.50 1d6j s VAL 134 Cb -0.20 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.03 1d6j s VAL 134 CO -0.03 -0.67 0.74 -0.70 0.00 0.00 0.00 175.10 174.44 1d6j s GLU 135 N 1.62 3.42 -0.37 2.72 2.12 -1.26 -0.37 118.70 126.58 1d6j s GLU 135 Ca 0.04 -0.13 -0.14 0.00 0.36 0.00 0.00 54.97 55.10 1d6j s GLU 135 Cb -0.26 -3.92 -0.00 0.00 0.26 0.00 0.00 34.13 30.20 1d6j s GLU 135 CO 0.05 -1.05 0.27 0.08 -0.54 0.00 0.00 175.26 174.07 1d6j s VAL 136 N 3.12 5.27 -0.43 3.70 1.01 -0.13 -1.08 120.40 131.88 1d6j s VAL 136 Ca 0.28 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 1d6j s VAL 136 Cb -0.13 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1d6j s VAL 136 CO 0.21 -0.13 0.96 -0.47 0.00 0.00 0.00 175.10 175.67 1d6j s TYR 137 N 1.71 2.97 -0.80 5.22 5.04 0.47 -1.11 117.35 130.86 1d6j s TYR 137 Ca 0.06 0.58 -0.17 0.00 -2.44 0.00 0.00 57.07 55.09 1d6j s TYR 137 Cb -0.18 -3.92 0.16 0.00 0.35 0.00 0.00 41.96 38.37 1d6j s TYR 137 CO 0.10 -1.02 0.87 0.08 -1.34 0.00 0.00 175.55 174.24 1d6j s VAL 138 N 3.75 5.11 -0.25 3.14 1.01 -0.04 -0.09 120.40 133.02 1d6j s VAL 138 Ca 0.39 -1.77 -0.20 0.00 0.00 0.00 0.00 61.98 60.39 1d6j s VAL 138 Cb -0.10 -4.58 -0.02 0.00 0.00 0.00 0.00 36.38 31.68 1d6j s VAL 138 CO 0.24 -1.21 0.64 -0.62 0.00 0.00 0.00 175.10 174.15 1d6j s ASP 139 N 3.06 6.59 0.02 3.32 -1.08 0.10 -4.43 116.67 124.25 1d6j s ASP 139 Ca 0.21 0.73 0.01 0.00 -0.52 0.00 0.00 52.55 52.97 1d6j s ASP 139 Cb -0.12 -2.34 -0.01 0.00 -1.46 0.00 0.00 42.92 38.98 1d6j s ASP 139 CO -0.05 -0.37 -0.04 -0.69 0.52 0.00 0.00 175.17 174.54 1d6j s VAL 140 N 2.50 0.24 0.59 1.11 1.01 -1.26 -0.58 120.40 124.00 1d6j s VAL 140 Ca 0.27 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1d6j s VAL 140 Cb -0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 1d6j s VAL 140 CO 0.08 -0.27 1.11 -2.16 0.00 0.00 0.00 175.10 173.87 1d6j s PRO 141 N -0.97 3.13 0.26 2.72 0.04 -1.26 -4.89 135.00 134.03 1d6j s PRO 141 Ca -0.08 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.42 1d6j s PRO 141 Cb -0.07 -1.99 0.44 0.00 0.04 0.00 0.00 34.50 32.93 1d6j s PRO 141 CO -0.00 -1.00 1.83 0.28 0.04 0.00 0.00 177.00 178.14 1d6j h VAL 142 N 0.68 0.94 -0.38 -0.36 2.07 -2.00 -1.38 116.25 115.82 1d6j h VAL 142 Ca -0.48 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1d6j h VAL 142 Cb 1.25 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1d6j h VAL 142 CO 0.56 0.16 0.15 1.05 0.02 0.00 0.00 177.57 179.51 1d6j h GLU 143 N 0.90 0.53 -0.41 1.57 9.09 -1.97 -0.78 114.58 123.52 1d6j h GLU 143 Ca 0.43 -0.07 -0.06 0.00 0.05 0.00 0.00 59.36 59.71 1d6j h GLU 143 Cb 0.37 -0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 27.35 1d6j h GLU 143 CO -0.24 0.45 0.03 0.28 0.05 0.00 0.00 179.01 179.58 1d6j h VAL 144 N 0.53 1.25 0.75 -1.06 2.07 -1.63 -2.86 116.25 115.31 1d6j h VAL 144 Ca 0.13 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1d6j h VAL 144 Cb 0.12 1.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1d6j h VAL 144 CO -0.01 0.32 -0.36 0.00 0.02 0.00 0.00 177.57 177.54 1d6j h ALA 145 N 0.90 -1.01 0.00 1.67 0.00 -1.02 -2.43 119.26 117.38 1d6j h ALA 145 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1d6j h ALA 145 Cb 0.43 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1d6j h ALA 145 CO 0.02 -1.05 0.00 0.39 0.00 0.00 0.00 179.25 178.60 1d6j n GLU 146 N -5.51 0.00 -0.46 0.00 1.02 -0.35 -3.49 120.64 111.84 1d6j n GLU 146 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1d6j n GLU 146 Cb 0.41 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1d6j n GLU 146 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1d6j n GLN 147 N -0.75 0.94 0.00 3.49 1.13 -0.91 -5.05 117.38 116.22 1d6j n GLN 147 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1d6j n GLN 147 Cb 0.00 -1.03 0.00 0.00 0.11 0.00 0.00 30.24 29.32 1d6j n GLN 147 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1d6j n ARG 148 N 1.51 0.00 -0.10 -1.09 1.74 -1.23 -5.12 116.66 112.38 1d6j n ARG 148 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1d6j n ARG 148 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 1d6j n ARG 148 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1d6j n ALA 170 N -2.36 0.00 -2.54 7.54 0.00 -1.26 -5.22 120.51 116.66 1d6j n ALA 170 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1d6j n ALA 170 Cb 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 1d6j n ALA 170 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1d6j s PRO 171 N -0.19 3.72 0.31 0.00 0.02 -1.26 -5.03 135.00 132.56 1d6j s PRO 171 Ca 0.00 0.10 -0.29 0.00 0.02 0.00 0.00 61.00 60.84 1d6j s PRO 171 Cb 0.00 -2.76 -0.13 0.00 0.02 0.00 0.00 34.50 31.63 1d6j s PRO 171 CO 0.00 0.40 1.21 0.98 -0.33 0.00 0.00 177.00 179.26 1d6j n TYR 172 N 0.01 1.91 -3.93 6.54 9.36 -1.26 -4.83 117.16 124.97 1d6j n TYR 172 Ca -0.01 0.59 -0.35 0.00 3.32 0.00 0.00 57.90 61.45 1d6j n TYR 172 Cb 0.52 -2.36 -0.14 0.00 -0.63 0.00 0.00 39.34 36.73 1d6j n TYR 172 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1d6j s GLU 173 N -1.53 2.64 0.61 2.98 2.02 0.20 -5.01 118.70 120.62 1d6j s GLU 173 Ca 0.59 -1.12 -0.18 0.00 0.02 0.00 0.00 54.97 54.28 1d6j s GLU 173 Cb -0.63 -3.10 -0.03 0.00 0.10 0.00 0.00 34.13 30.47 1d6j s GLU 173 CO 0.60 -0.51 1.20 0.00 0.02 0.00 0.00 175.26 176.56 1d6j s ALA 174 N 1.30 2.50 0.30 5.21 0.00 -1.26 -4.34 121.76 125.46 1d6j s ALA 174 Ca -0.03 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 52.60 1d6j s ALA 174 Cb -0.18 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.40 1d6j s ALA 174 CO -0.02 -1.23 1.16 -1.25 0.00 0.00 0.00 175.76 174.41 1d6j s PRO 175 N -3.44 4.52 0.08 0.00 0.04 -1.26 -4.88 135.00 130.07 1d6j s PRO 175 Ca 0.76 1.91 -0.29 0.00 0.04 0.00 0.00 61.00 63.42 1d6j s PRO 175 Cb -0.29 -3.12 -0.16 0.00 0.04 0.00 0.00 34.50 30.97 1d6j s PRO 175 CO 0.35 0.07 1.66 0.00 0.04 0.00 0.00 177.00 179.11 1d6j h ALA 176 N 3.61 -0.58 -2.01 8.56 0.00 -2.00 -3.39 119.26 123.45 1d6j h ALA 176 Ca -0.47 -0.11 -0.52 0.00 0.00 0.00 0.00 54.91 53.80 1d6j h ALA 176 Cb 1.22 0.29 -0.35 0.00 0.00 0.00 0.00 17.79 18.94 1d6j h ALA 176 CO 0.66 -0.84 -0.94 -1.71 0.00 0.00 0.00 179.25 176.42 1d6j n ASN 177 N -5.36 -0.73 -4.77 0.00 4.05 -1.26 -5.13 115.26 102.06 1d6j n ASN 177 Ca -0.10 -2.56 -0.35 0.00 0.45 0.00 0.00 54.58 52.02 1d6j n ASN 177 Cb 0.27 -0.23 0.02 0.00 1.23 0.00 0.00 39.78 41.08 1d6j n ASN 177 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1d6j s PRO 178 N -0.17 3.12 0.22 1.20 0.04 -1.26 -4.96 135.00 133.18 1d6j s PRO 178 Ca 0.33 1.64 -0.05 0.00 0.04 0.00 0.00 61.00 62.96 1d6j s PRO 178 Cb 0.08 -1.97 0.20 0.00 0.04 0.00 0.00 34.50 32.85 1d6j s PRO 178 CO -0.16 -1.04 1.69 0.93 0.04 0.00 0.00 177.00 178.45 1d6j h GLU 179 N 0.88 0.91 -4.75 4.56 3.07 -1.47 -3.43 114.58 114.36 1d6j h GLU 179 Ca -0.50 -0.28 -0.46 0.00 -0.50 0.00 0.00 59.36 57.62 1d6j h GLU 179 Cb 1.27 -0.09 -0.31 0.00 -0.84 0.00 0.00 28.75 28.78 1d6j h GLU 179 CO 0.56 0.93 -0.80 0.08 -1.40 0.00 0.00 179.01 178.38 1d6j s VAL 180 N -4.94 0.93 -0.25 3.13 1.01 -1.04 -5.03 120.40 114.21 1d6j s VAL 180 Ca -0.10 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1d6j s VAL 180 Cb 0.14 -0.82 0.06 0.00 0.00 0.00 0.00 36.38 35.76 1d6j s VAL 180 CO 0.84 0.28 -0.09 -2.28 0.00 0.00 0.00 175.10 173.85 1d6j s HIS 181 N 0.16 3.05 -0.32 5.22 2.46 -1.26 -0.39 115.29 124.21 1d6j s HIS 181 Ca -0.03 -2.19 -0.12 0.00 0.47 0.00 0.00 55.06 53.19 1d6j s HIS 181 Cb -0.09 -1.85 -0.03 0.00 -0.13 0.00 0.00 32.58 30.48 1d6j s HIS 181 CO 0.01 -0.85 0.22 0.08 -2.47 0.00 0.00 174.74 171.73 1d6j s VAL 182 N 1.17 5.26 -0.89 0.89 1.01 0.87 -4.96 120.40 123.75 1d6j s VAL 182 Ca -0.08 -0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 1d6j s VAL 182 Cb -0.20 -3.64 0.10 0.00 0.00 0.00 0.00 36.38 32.64 1d6j s VAL 182 CO -0.05 0.07 1.15 -0.54 0.00 0.00 0.00 175.10 175.73 1d6j s LYS 183 N 1.73 3.49 0.00 2.72 -0.14 -1.26 -0.72 119.74 125.55 1d6j s LYS 183 Ca 0.06 -1.43 0.28 0.00 -1.36 0.00 0.00 55.97 53.53 1d6j s LYS 183 Cb -0.17 -4.84 1.17 0.00 -1.68 0.00 0.00 37.83 32.31 1d6j s LYS 183 CO 0.10 -1.87 1.83 -1.71 -0.76 0.00 0.00 175.35 172.94 1d6j n ASN 184 N 7.26 0.52 -4.68 2.83 5.15 0.25 -4.68 115.26 121.91 1d6j n ASN 184 Ca 0.19 -0.59 -0.46 0.00 -0.60 0.00 0.00 54.58 53.13 1d6j n ASN 184 Cb 0.49 -0.06 -0.04 0.00 -0.53 0.00 0.00 39.78 39.64 1d6j n ASN 184 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1d6j n TYR 185 N -0.94 2.34 -4.18 1.20 9.36 -1.22 -1.35 117.16 122.38 1d6j n TYR 185 Ca 0.14 0.18 -0.37 0.00 3.32 0.00 0.00 57.90 61.17 1d6j n TYR 185 Cb 0.29 -2.58 -0.07 0.00 -0.63 0.00 0.00 39.34 36.34 1d6j n TYR 185 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1d6j n GLU 186 N 4.12 -0.83 -4.28 2.98 0.00 -1.26 -4.90 120.64 116.47 1d6j n GLU 186 Ca 0.18 0.12 -0.34 0.00 0.00 0.00 0.00 57.16 57.11 1d6j n GLU 186 Cb 0.30 -4.26 -0.10 0.00 0.00 0.00 0.00 31.44 27.37 1d6j n GLU 186 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1d6j s LEU 187 N -6.56 3.56 0.43 -1.84 2.96 -0.45 -5.09 118.68 111.69 1d6j s LEU 187 Ca 0.73 0.06 -0.25 0.00 -0.22 0.00 0.00 54.13 54.45 1d6j s LEU 187 Cb -0.42 -1.85 -0.08 0.00 0.50 0.00 0.00 46.19 44.34 1d6j s LEU 187 CO 0.89 0.27 1.29 -2.84 -1.32 0.00 0.00 176.35 174.64 1d6j s PRO 188 N -0.23 3.82 0.24 0.98 0.02 -1.26 -4.88 135.00 133.69 1d6j s PRO 188 Ca 0.06 2.10 -0.06 0.00 0.02 0.00 0.00 61.00 63.12 1d6j s PRO 188 Cb -0.12 -2.63 0.45 0.00 0.02 0.00 0.00 34.50 32.22 1d6j s PRO 188 CO 0.02 -0.60 1.68 0.28 -0.33 0.00 0.00 177.00 178.05 1d6j h VAL 189 N 2.22 0.49 -0.70 3.83 2.07 -1.98 -0.75 116.25 121.44 1d6j h VAL 189 Ca -0.50 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 66.97 1d6j h VAL 189 Cb 1.25 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1d6j h VAL 189 CO 0.61 0.04 0.46 1.56 0.02 0.00 0.00 177.57 180.27 1d6j h GLN 190 N 0.23 0.84 -0.31 1.57 1.08 -1.99 -1.26 115.11 115.27 1d6j h GLN 190 Ca 0.41 -0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 57.38 1d6j h GLN 190 Cb 0.70 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1d6j h GLN 190 CO -0.53 0.56 -0.51 -0.44 -0.95 0.00 0.00 178.83 176.95 1d6j h ASP 191 N 0.86 0.99 0.18 1.46 3.32 -1.52 -0.44 116.42 121.27 1d6j h ASP 191 Ca 0.27 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1d6j h ASP 191 Cb 0.02 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1d6j h ASP 191 CO -0.07 1.32 -0.09 0.00 -1.72 0.00 0.00 179.24 178.68 1d6j h ALA 192 N 0.71 -0.24 -0.39 3.45 0.00 -0.94 -1.03 119.26 120.81 1d6j h ALA 192 Ca 0.02 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1d6j h ALA 192 Cb 1.12 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1d6j h ALA 192 CO 0.12 -0.54 0.13 0.28 0.00 0.00 0.00 179.25 179.24 1d6j h VAL 193 N -0.42 0.88 -0.63 0.00 2.07 -1.25 -0.05 116.25 116.84 1d6j h VAL 193 Ca -0.02 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1d6j h VAL 193 Cb 0.33 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1d6j h VAL 193 CO 0.04 0.05 0.35 0.50 0.02 0.00 0.00 177.57 178.53 1d6j h LYS 194 N 0.29 0.64 -0.77 1.57 3.64 -0.95 0.22 116.57 121.21 1d6j h LYS 194 Ca 0.18 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1d6j h LYS 194 Cb 0.17 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1d6j h LYS 194 CO -0.19 0.42 0.51 0.37 -2.27 0.00 0.00 179.45 178.29 1d6j h GLN 195 N 0.66 0.98 0.07 1.90 4.15 0.08 0.42 115.11 123.36 1d6j h GLN 195 Ca 0.28 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 1d6j h GLN 195 Cb 0.15 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1d6j h GLN 195 CO -0.17 0.65 -0.03 0.82 -1.93 0.00 0.00 178.83 178.17 1d6j h ILE 196 N 1.01 1.20 -0.69 2.39 2.04 0.83 -2.28 117.51 122.01 1d6j h ILE 196 Ca 0.29 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1d6j h ILE 196 Cb -0.07 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1d6j h ILE 196 CO -0.07 0.25 0.44 0.40 0.00 0.00 0.00 178.15 179.17 1d6j h ILE 197 N -0.55 1.19 -0.84 -0.67 2.04 -0.40 -1.31 117.51 116.97 1d6j h ILE 197 Ca -0.01 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1d6j h ILE 197 Cb 0.47 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1d6j h ILE 197 CO 0.02 0.18 0.56 0.44 0.00 0.00 0.00 178.15 179.35 1d6j h ASP 198 N 0.93 0.93 -0.79 1.72 3.32 -0.17 0.87 116.42 123.23 1d6j h ASP 198 Ca 0.25 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1d6j h ASP 198 Cb -0.08 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.21 1d6j h ASP 198 CO -0.05 0.65 0.46 0.22 -1.72 0.00 0.00 179.24 178.80 1d6j h TYR 199 N 1.09 1.06 -0.64 4.55 3.20 -0.73 -0.84 116.97 124.66 1d6j h TYR 199 Ca 0.32 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.25 1d6j h TYR 199 Cb -0.04 -0.34 -0.06 0.00 1.54 0.00 0.00 36.73 37.83 1d6j h TYR 199 CO -0.00 0.73 0.33 -0.07 -1.64 0.00 0.00 178.16 177.51 1d6j h LEU 200 N 1.09 0.47 -1.03 2.82 3.38 0.19 -1.95 115.31 120.28 1d6j h LEU 200 Ca 0.28 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 1d6j h LEU 200 Cb -0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1d6j h LEU 200 CO -0.05 0.30 0.00 0.44 0.09 0.00 0.00 178.44 179.22 1d6j h ASP 201 N 0.61 0.66 0.16 -0.43 3.32 -0.39 -1.04 116.42 119.30 1d6j h ASP 201 Ca 0.29 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1d6j h ASP 201 Cb 0.23 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1d6j h ASP 201 CO -0.20 0.73 0.00 0.71 -1.72 0.00 0.00 179.24 178.76 1d6j h THR 202 N 0.66 0.00 0.00 0.35 1.35 -0.38 0.71 112.91 115.60 1d6j h THR 202 Ca 0.13 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1d6j h THR 202 Cb 0.41 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1d6j h THR 202 CO 0.02 0.00 -1.44 0.29 -0.25 0.00 0.00 175.52 174.13 1d6j n LYS 203 N -2.30 0.53 -1.00 4.72 4.76 -0.48 -4.98 118.16 119.41 1d6j n LYS 203 Ca -0.01 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1d6j n LYS 203 Cb 0.08 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1d6j n LYS 203 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1d6j n GLY 204 N 1.40 0.66 0.41 0.72 0.00 0.24 -4.90 105.19 103.72 1d6j n GLY 204 Ca -0.00 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.25 1d6j n GLY 204 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1d6j h TYR 205 N 0.00 0.00 -1.73 1.61 0.99 -1.74 -3.43 116.97 112.67 1d6j h TYR 205 Ca 0.00 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.22 1d6j h TYR 205 Cb 0.01 0.00 -0.05 0.00 1.00 0.00 0.00 36.73 37.69 1d6j h TYR 205 CO 0.01 0.00 -0.45 -0.51 -0.00 0.00 0.00 178.16 177.21 1d6j s LEU 206 N -8.11 3.41 0.21 3.88 1.43 -1.26 -1.42 118.68 116.81 1d6j s LEU 206 Ca -0.05 -0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 52.26 1d6j s LEU 206 Cb 0.18 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.36 1d6j s LEU 206 CO 0.66 -0.45 0.52 -2.16 0.23 0.00 0.00 176.35 175.15 1d6j s PRO 207 N -3.99 3.79 0.19 1.29 0.04 -1.26 -4.95 135.00 130.11 1d6j s PRO 207 Ca 0.42 0.24 -0.32 0.00 0.04 0.00 0.00 61.00 61.38 1d6j s PRO 207 Cb -0.03 -2.70 -0.15 0.00 0.04 0.00 0.00 34.50 31.65 1d6j s PRO 207 CO 0.26 0.35 1.12 0.00 0.04 0.00 0.00 177.00 178.77 1d6j n ALA 208 N -0.01 -0.75 -1.30 8.56 0.00 -1.26 -4.88 120.51 120.87 1d6j n ALA 208 Ca -0.01 0.45 -0.37 0.00 0.00 0.00 0.00 53.44 53.52 1d6j n ALA 208 Cb 0.52 -2.01 0.06 0.00 0.00 0.00 0.00 19.45 18.01 1d6j n ALA 208 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1d6j n LYS 209 N 1.54 0.32 0.00 0.00 4.01 -1.26 -5.10 118.16 117.68 1d6j n LYS 209 Ca 0.14 0.14 0.16 0.00 -0.51 0.00 0.00 58.31 58.24 1d6j n LYS 209 Cb 0.26 -1.70 0.93 0.00 -0.51 0.00 0.00 35.03 34.01 1d6j n LYS 209 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65