#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6j s SER 2 N 0.00 5.57 -0.10 0.41 0.01 -1.26 -5.00 113.70 113.32 1s6j s SER 2 Ca 0.00 -0.19 0.06 0.00 1.31 0.00 0.00 55.95 57.13 1s6j s SER 2 Cb 0.00 -1.44 0.37 0.00 0.21 0.00 0.00 66.02 65.16 1s6j s SER 2 CO 0.00 -0.00 1.07 -1.54 0.41 0.00 0.00 173.24 173.18 1s6j n SER 3 N -0.90 3.09 -0.55 2.44 3.41 -1.26 -5.01 113.62 114.84 1s6j n SER 3 Ca -0.08 -2.40 0.03 0.00 -0.26 0.00 0.00 58.87 56.16 1s6j n SER 3 Cb 0.57 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1s6j n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6j n GLY 4 N 0.31 -3.09 2.19 5.00 0.00 -1.26 -4.76 105.19 103.58 1s6j n GLY 4 Ca 0.12 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 1s6j n GLY 4 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s6j n HIS 5 N -2.37 2.96 -1.96 1.61 -0.00 -1.26 -4.97 115.22 109.22 1s6j n HIS 5 Ca -0.02 -2.54 -0.24 0.00 -0.00 0.00 0.00 57.72 54.92 1s6j n HIS 5 Cb 0.21 -0.69 -0.06 0.00 -0.00 0.00 0.00 29.99 29.45 1s6j n HIS 5 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1s6j s ILE 6 N -4.76 3.37 0.00 1.59 1.01 -1.26 -4.12 121.20 117.04 1s6j s ILE 6 Ca 0.55 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1s6j s ILE 6 Cb 0.44 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1s6j s ILE 6 CO -0.01 -0.78 0.00 -0.67 0.00 0.00 0.00 174.94 173.48 1s6j n ASP 7 N 14.94 0.00 -0.63 3.58 2.03 -1.26 -5.03 116.55 130.18 1s6j n ASP 7 Ca 0.42 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.70 1s6j n ASP 7 Cb 0.46 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.83 1s6j n ASP 7 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1s6j n ASP 8 N -0.78 -0.40 0.00 1.67 5.68 -1.26 -4.78 116.55 116.69 1s6j n ASP 8 Ca 0.00 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.23 1s6j n ASP 8 Cb 0.00 0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1s6j n ASP 8 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1s6j n ASP 9 N 0.00 0.00 0.00 -1.12 2.03 -1.26 -4.62 116.55 111.58 1s6j n ASP 9 Ca -0.11 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.30 1s6j n ASP 9 Cb 0.46 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.76 1s6j n ASP 9 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1s6j n ASP 10 N 0.00 0.65 -0.03 1.67 2.03 -1.26 -4.13 116.55 115.47 1s6j n ASP 10 Ca 0.00 -0.57 0.13 0.00 0.52 0.00 0.00 54.79 54.86 1s6j n ASP 10 Cb 0.00 1.22 0.38 0.00 -0.72 0.00 0.00 41.12 42.00 1s6j n ASP 10 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1s6j n LYS 11 N -1.79 0.13 0.22 -0.67 4.76 -1.26 -3.72 118.16 115.83 1s6j n LYS 11 Ca 0.01 -0.06 0.05 0.00 -2.87 0.00 0.00 58.31 55.44 1s6j n LYS 11 Cb 0.41 -1.50 0.48 0.00 -1.84 0.00 0.00 35.03 32.58 1s6j n LYS 11 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1s6j h HIS 12 N 0.15 0.00 -0.00 2.13 2.07 -1.82 -0.97 115.15 116.71 1s6j h HIS 12 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1s6j h HIS 12 Cb 0.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.47 1s6j h HIS 12 CO 0.00 0.23 -0.32 -0.12 -3.07 0.00 0.00 177.93 174.65 1s6j n MET 13 N -4.22 0.21 0.09 5.12 0.00 -1.24 -2.76 117.12 114.32 1s6j n MET 13 Ca -0.02 -0.10 0.11 0.00 -0.00 0.00 0.00 57.70 57.69 1s6j n MET 13 Cb 0.29 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 32.01 1s6j n MET 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s6j n ALA 14 N -1.31 2.61 -1.58 -5.12 0.00 -0.39 -4.74 120.51 109.99 1s6j n ALA 14 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1s6j n ALA 14 Cb 0.33 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1s6j n ALA 14 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1s6j n GLU 15 N -2.57 0.00 0.00 0.00 0.28 -1.06 -5.02 120.64 112.27 1s6j n GLU 15 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1s6j n GLU 15 Cb 0.54 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.41 1s6j n GLU 15 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1s6j n ARG 16 N 0.00 0.39 -1.69 3.44 1.74 -1.26 -5.07 116.66 114.21 1s6j n ARG 16 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1s6j n ARG 16 Cb 0.00 -0.03 -0.03 0.00 -1.02 0.00 0.00 32.46 31.38 1s6j n ARG 16 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1s6j s LEU 17 N 0.00 3.42 -0.24 0.55 2.96 -1.11 -4.90 118.68 119.35 1s6j s LEU 17 Ca 0.00 1.31 -0.03 0.00 -0.22 0.00 0.00 54.13 55.19 1s6j s LEU 17 Cb 0.00 -3.00 0.12 0.00 0.50 0.00 0.00 46.19 43.80 1s6j s LEU 17 CO 0.00 -2.34 0.29 -0.94 -1.32 0.00 0.00 176.35 172.04 1s6j s SER 18 N 9.53 1.05 0.07 3.68 1.04 -1.26 -4.32 113.70 123.49 1s6j s SER 18 Ca 0.93 -0.20 -0.33 0.00 0.48 0.00 0.00 55.95 56.83 1s6j s SER 18 Cb -0.23 0.66 -0.17 0.00 0.10 0.00 0.00 66.02 66.39 1s6j s SER 18 CO 0.30 -0.33 1.50 -0.08 0.98 0.00 0.00 173.24 175.61 1s6j h GLU 19 N 8.26 -1.00 0.00 4.02 4.81 -2.00 -3.40 114.58 125.27 1s6j h GLU 19 Ca -0.17 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1s6j h GLU 19 Cb 1.14 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1s6j h GLU 19 CO 0.29 -0.67 -0.11 -0.85 -0.73 0.00 0.00 179.01 176.94 1s6j n GLU 20 N -5.22 0.08 -0.32 1.92 0.00 -1.26 -4.99 120.64 110.85 1s6j n GLU 20 Ca -0.13 0.22 -0.00 0.00 0.00 0.00 0.00 57.16 57.25 1s6j n GLU 20 Cb 0.44 -0.84 -0.00 0.00 0.00 0.00 0.00 31.44 31.04 1s6j n GLU 20 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1s6j n GLU 21 N -2.71 0.00 0.09 3.44 4.07 -1.26 -4.76 120.64 119.51 1s6j n GLU 21 Ca -0.02 -0.06 0.03 0.00 -0.06 0.00 0.00 57.16 57.06 1s6j n GLU 21 Cb 0.06 0.27 0.19 0.00 -0.06 0.00 0.00 31.44 31.89 1s6j n GLU 21 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1s6j n ILE 22 N 0.00 0.80 -0.35 6.31 -6.64 -1.26 -2.00 119.36 116.22 1s6j n ILE 22 Ca -0.02 0.64 0.07 0.00 -1.77 0.00 0.00 62.75 61.67 1s6j n ILE 22 Cb 0.18 -1.64 0.23 0.00 -1.44 0.00 0.00 39.64 36.97 1s6j n ILE 22 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 1s6j h GLY 23 N 0.00 1.58 -0.15 3.28 0.00 -1.92 -0.97 103.07 104.89 1s6j h GLY 23 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1s6j h GLY 23 CO 0.00 0.14 -0.30 0.61 0.00 0.00 0.00 176.54 176.99 1s6j n GLY 24 N -1.34 -0.39 0.27 4.60 0.00 -0.85 -4.28 105.19 103.20 1s6j n GLY 24 Ca 0.18 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.74 1s6j n GLY 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s6j h LEU 25 N 1.64 0.49 -0.33 0.99 7.12 -1.30 -0.29 115.31 123.63 1s6j h LEU 25 Ca 0.00 0.06 -0.18 0.00 0.13 0.00 0.00 57.88 57.89 1s6j h LEU 25 Cb 0.58 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.66 1s6j h LEU 25 CO 0.00 0.28 -0.84 0.50 -0.13 0.00 0.00 178.44 178.25 1s6j h LYS 26 N 0.63 0.05 0.00 1.25 3.64 -1.75 -2.24 116.57 118.15 1s6j h LYS 26 Ca 0.35 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1s6j h LYS 26 Cb 0.36 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1s6j h LYS 26 CO -0.26 0.86 -0.05 1.49 -2.27 0.00 0.00 179.45 179.22 1s6j h GLU 27 N 0.03 0.00 0.00 1.90 4.81 -1.66 -3.45 114.58 116.21 1s6j h GLU 27 Ca -0.02 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1s6j h GLU 27 Cb 1.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.84 1s6j h GLU 27 CO 0.11 0.00 -0.83 1.47 -0.73 0.00 0.00 179.01 179.03 1s6j n LEU 28 N -2.48 1.83 -0.17 1.64 -0.00 -0.21 -4.20 117.00 113.40 1s6j n LEU 28 Ca -0.01 0.55 -0.05 0.00 -0.00 0.00 0.00 56.01 56.51 1s6j n LEU 28 Cb 0.02 -0.90 -0.04 0.00 -0.00 0.00 0.00 43.42 42.51 1s6j n LEU 28 CO 0.01 -0.19 0.43 0.33 -0.00 0.00 0.00 177.39 177.96 1s6j n PHE 29 N -4.54 -0.18 -0.24 1.47 7.35 -0.63 -0.62 117.46 120.07 1s6j n PHE 29 Ca -0.17 0.52 0.03 0.00 -0.76 0.00 0.00 57.45 57.06 1s6j n PHE 29 Cb 0.43 -0.50 0.15 0.00 0.35 0.00 0.00 39.48 39.91 1s6j n PHE 29 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1s6j h LYS 30 N 0.00 0.50 -0.06 -4.13 1.57 -1.64 0.21 116.57 113.02 1s6j h LYS 30 Ca 0.07 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1s6j h LYS 30 Cb 0.17 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1s6j h LYS 30 CO -0.39 0.33 0.20 1.98 -0.57 0.00 0.00 179.45 181.00 1s6j h MET 31 N 0.52 0.00 0.00 3.15 4.05 -1.03 -2.88 114.93 118.74 1s6j h MET 31 Ca 0.37 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.76 1s6j h MET 31 Cb 0.46 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.26 1s6j h MET 31 CO -0.32 0.00 -0.78 -0.89 0.23 0.00 0.00 176.91 175.15 1s6j n ILE 32 N -3.20 1.45 -1.57 1.77 2.08 0.52 -4.86 119.36 115.54 1s6j n ILE 32 Ca -0.01 0.16 -0.45 0.00 0.56 0.00 0.00 62.75 63.01 1s6j n ILE 32 Cb 0.28 -2.34 -0.04 0.00 -0.75 0.00 0.00 39.64 36.78 1s6j n ILE 32 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1s6j n ASP 33 N -4.54 3.08 0.00 4.38 2.03 0.04 -4.79 116.55 116.75 1s6j n ASP 33 Ca -0.13 0.34 0.01 0.00 0.52 0.00 0.00 54.79 55.54 1s6j n ASP 33 Cb 0.39 -1.48 0.06 0.00 -0.72 0.00 0.00 41.12 39.38 1s6j n ASP 33 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1s6j n THR 34 N 7.32 1.77 0.02 5.18 -1.04 -1.26 -0.88 114.28 125.40 1s6j n THR 34 Ca 0.31 0.44 0.05 0.00 -2.04 0.00 0.00 64.05 62.82 1s6j n THR 34 Cb 0.39 -1.39 -0.10 0.00 -1.82 0.00 0.00 70.33 67.41 1s6j n THR 34 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1s6j n ASP 35 N -1.49 0.49 -0.76 8.00 2.03 -1.26 -4.94 116.55 118.62 1s6j n ASP 35 Ca 0.01 0.20 -0.08 0.00 0.52 0.00 0.00 54.79 55.44 1s6j n ASP 35 Cb 0.03 0.89 -0.03 0.00 -0.72 0.00 0.00 41.12 41.29 1s6j n ASP 35 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1s6j n ASN 36 N -2.63 -4.22 0.19 1.67 5.03 -0.05 -4.74 115.26 110.51 1s6j n ASN 36 Ca -0.08 0.20 0.10 0.00 0.87 0.00 0.00 54.58 55.66 1s6j n ASN 36 Cb 0.72 -3.23 0.12 0.00 -1.02 0.00 0.00 39.78 36.37 1s6j n ASN 36 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1s6j h SER 37 N 0.00 0.00 0.00 6.41 4.64 -1.92 -3.47 113.55 119.21 1s6j h SER 37 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1s6j h SER 37 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1s6j h SER 37 CO 0.24 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 1s6j n GLY 38 N 1.14 1.25 3.28 -0.77 0.00 -1.26 -5.10 105.19 103.73 1s6j n GLY 38 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1s6j n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6j s THR 39 N -2.00 -0.01 0.06 2.61 -4.23 -1.26 -4.82 115.64 105.98 1s6j s THR 39 Ca 0.00 0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.58 1s6j s THR 39 Cb 0.00 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.21 1s6j s THR 39 CO 0.00 0.02 0.12 -0.63 -0.54 0.00 0.00 174.62 173.59 1s6j s ILE 40 N 0.86 4.81 0.00 2.99 1.01 -1.05 -4.81 121.20 125.01 1s6j s ILE 40 Ca -0.05 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1s6j s ILE 40 Cb -0.06 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 1s6j s ILE 40 CO -0.07 0.16 -0.05 0.42 0.00 0.00 0.00 174.94 175.41 1s6j s THR 41 N -1.39 0.39 0.43 2.92 -4.23 -1.26 -0.88 115.64 111.61 1s6j s THR 41 Ca 0.30 -0.34 0.33 0.00 -1.18 0.00 0.00 61.69 60.81 1s6j s THR 41 Cb -0.12 -0.35 0.51 0.00 1.34 0.00 0.00 72.50 73.87 1s6j s THR 41 CO 0.22 0.03 1.46 0.33 -0.54 0.00 0.00 174.62 176.12 1s6j n PHE 42 N 2.73 0.54 0.02 3.99 7.35 -1.26 0.71 117.46 131.54 1s6j n PHE 42 Ca -0.14 0.55 -0.11 0.00 -0.76 0.00 0.00 57.45 56.99 1s6j n PHE 42 Cb 0.58 -0.98 -0.06 0.00 0.35 0.00 0.00 39.48 39.37 1s6j n PHE 42 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1s6j h ASP 43 N 0.00 -0.09 1.13 -2.13 3.58 -1.95 -2.47 116.42 114.48 1s6j h ASP 43 Ca 0.83 0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.31 1s6j h ASP 43 Cb 2.81 0.05 0.00 0.00 1.72 0.00 0.00 39.33 43.91 1s6j h ASP 43 CO -0.36 -0.04 -0.58 1.05 -2.88 0.00 0.00 179.24 176.42 1s6j h GLU 44 N -0.03 0.00 0.85 0.28 4.11 -0.14 -3.34 114.58 116.31 1s6j h GLU 44 Ca 0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.42 1s6j h GLU 44 Cb 0.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1s6j h GLU 44 CO -0.07 0.00 -0.42 1.25 0.07 0.00 0.00 179.01 179.83 1s6j h LEU 45 N 0.00 -1.01 -1.02 3.06 5.85 0.71 -3.06 115.31 119.83 1s6j h LEU 45 Ca 0.00 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.82 1s6j h LEU 45 Cb 0.86 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 1s6j h LEU 45 CO 0.00 -0.71 0.65 0.07 -0.34 0.00 0.00 178.44 178.11 1s6j h LYS 46 N -1.16 1.14 0.00 1.25 2.10 -1.63 -1.18 116.57 117.08 1s6j h LYS 46 Ca -0.12 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1s6j h LYS 46 Cb 0.90 -0.26 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1s6j h LYS 46 CO 0.18 0.75 0.36 0.22 -2.00 0.00 0.00 179.45 178.97 1s6j h ASP 47 N 1.17 0.00 0.11 7.07 3.58 -1.65 0.79 116.42 127.49 1s6j h ASP 47 Ca 0.43 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.87 1s6j h ASP 47 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1s6j h ASP 47 CO -0.17 0.00 -0.05 1.23 -2.88 0.00 0.00 179.24 177.37 1s6j h GLY 48 N 0.00 -0.16 1.28 -0.78 0.00 -1.21 -2.66 103.07 99.53 1s6j h GLY 48 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1s6j h GLY 48 CO 0.00 -0.06 -0.47 1.04 0.00 0.00 0.00 176.54 177.05 1s6j n LEU 49 N -4.85 0.58 0.05 3.11 7.99 -0.48 -3.91 117.00 119.50 1s6j n LEU 49 Ca -0.07 0.22 -0.20 0.00 -0.01 0.00 0.00 56.01 55.96 1s6j n LEU 49 Cb 0.26 -0.25 -0.13 0.00 -0.11 0.00 0.00 43.42 43.19 1s6j n LEU 49 CO 0.22 -0.01 0.09 0.50 -1.51 0.00 0.00 177.39 176.68 1s6j h LYS 50 N 0.00 0.43 -1.01 3.23 3.64 0.44 -2.59 116.57 120.70 1s6j h LYS 50 Ca 0.00 -0.58 0.26 0.00 -1.27 0.00 0.00 60.65 59.06 1s6j h LYS 50 Cb 0.65 0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.58 1s6j h LYS 50 CO 0.00 1.23 0.67 -0.09 -2.27 0.00 0.00 179.45 178.99 1s6j h ARG 51 N -0.09 0.35 0.00 1.90 9.65 -1.59 0.10 114.38 124.70 1s6j h ARG 51 Ca -0.13 -0.02 -0.27 0.00 -1.10 0.00 0.00 59.98 58.46 1s6j h ARG 51 Cb 1.60 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 30.06 1s6j h ARG 51 CO 0.17 0.23 -1.53 -0.39 2.80 0.00 0.00 179.97 181.24 1s6j h VAL 52 N 0.36 1.06 -6.46 0.20 -1.51 -1.75 -3.48 116.25 104.67 1s6j h VAL 52 Ca 0.56 -2.88 -0.49 0.00 -1.23 0.00 0.00 66.70 62.65 1s6j h VAL 52 Cb 1.49 2.52 -0.05 0.00 -2.13 0.00 0.00 31.29 33.12 1s6j h VAL 52 CO -0.23 0.60 -0.87 0.61 -1.23 0.00 0.00 177.57 176.45 1s6j n GLY 53 N 1.50 -0.26 0.00 5.19 0.00 0.35 -4.95 105.19 107.02 1s6j n GLY 53 Ca -0.13 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1s6j n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s6j n SER 54 N -2.96 0.00 -3.20 1.61 2.88 -1.26 -4.94 113.62 105.75 1s6j n SER 54 Ca -0.26 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.05 1s6j n SER 54 Cb 0.66 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.06 1s6j n SER 54 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1s6j n GLU 55 N 0.00 1.21 -3.56 -1.46 2.13 -1.26 -5.11 120.64 112.59 1s6j n GLU 55 Ca 0.00 -3.58 -0.23 0.00 0.66 0.00 0.00 57.16 54.01 1s6j n GLU 55 Cb 0.00 -1.56 0.01 0.00 0.27 0.00 0.00 31.44 30.16 1s6j n GLU 55 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1s6j s LEU 56 N -1.86 2.91 -0.25 4.31 -0.00 -1.26 -5.12 118.68 117.41 1s6j s LEU 56 Ca 0.38 -1.06 0.01 0.00 -0.00 0.00 0.00 54.13 53.46 1s6j s LEU 56 Cb 0.22 -1.43 0.07 0.00 -0.00 0.00 0.00 46.19 45.05 1s6j s LEU 56 CO -0.09 -1.14 -0.03 -0.04 -0.00 0.00 0.00 176.35 175.05 1s6j s MET 57 N -4.40 1.56 0.32 1.48 -1.94 -1.26 -4.96 119.30 110.09 1s6j s MET 57 Ca 0.45 -1.11 0.17 0.00 -1.71 0.00 0.00 55.69 53.49 1s6j s MET 57 Cb -0.04 -2.62 0.94 0.00 2.01 0.00 0.00 34.83 35.13 1s6j s MET 57 CO 0.28 -0.67 1.48 -1.91 -0.01 0.00 0.00 175.02 174.19 1s6j n GLU 58 N 4.63 0.11 0.03 2.03 2.13 -1.26 -0.57 120.64 127.74 1s6j n GLU 58 Ca -0.09 0.60 -0.22 0.00 0.66 0.00 0.00 57.16 58.11 1s6j n GLU 58 Cb 0.43 -2.01 -0.14 0.00 0.27 0.00 0.00 31.44 29.99 1s6j n GLU 58 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1s6j h SER 59 N 0.00 0.47 -0.00 4.31 0.87 -2.01 -3.36 113.55 113.83 1s6j h SER 59 Ca 0.00 -0.91 -0.10 0.00 -1.23 0.00 0.00 61.79 59.55 1s6j h SER 59 Cb 0.27 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1s6j h SER 59 CO 0.00 1.78 -0.27 -0.08 -0.53 0.00 0.00 176.83 177.72 1s6j h GLU 60 N -0.03 0.43 -0.25 2.24 4.81 -1.24 -0.35 114.58 120.19 1s6j h GLU 60 Ca -0.37 -0.17 0.06 0.00 -0.13 0.00 0.00 59.36 58.75 1s6j h GLU 60 Cb 1.98 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 31.27 1s6j h GLU 60 CO 0.10 0.67 -0.16 0.82 -0.73 0.00 0.00 179.01 179.71 1s6j h ILE 61 N 0.38 0.54 0.09 2.32 2.04 -1.42 0.60 117.51 122.05 1s6j h ILE 61 Ca 0.05 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.66 1s6j h ILE 61 Cb 0.68 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1s6j h ILE 61 CO 0.05 0.00 -1.15 0.07 0.00 0.00 0.00 178.15 177.12 1s6j h LYS 62 N -0.15 0.20 0.00 2.37 5.09 -1.69 -2.94 116.57 119.46 1s6j h LYS 62 Ca 0.14 -0.33 0.00 0.00 0.09 0.00 0.00 60.65 60.55 1s6j h LYS 62 Cb 0.35 0.12 0.00 0.00 0.10 0.00 0.00 32.23 32.80 1s6j h LYS 62 CO -0.34 1.15 0.00 -0.44 -2.09 0.00 0.00 179.45 177.73 1s6j h ASP 63 N 0.06 0.00 0.00 7.07 3.32 -0.61 -0.50 116.42 125.75 1s6j h ASP 63 Ca -0.10 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 1s6j h ASP 63 Cb 1.88 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.42 1s6j h ASP 63 CO 0.18 0.00 -0.56 0.25 -1.72 0.00 0.00 179.24 177.39 1s6j h LEU 64 N 0.00 0.00 -1.56 1.55 7.12 0.24 -3.34 115.31 119.32 1s6j h LEU 64 Ca 0.00 -0.47 -0.04 0.00 0.13 0.00 0.00 57.88 57.49 1s6j h LEU 64 Cb 0.37 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.49 1s6j h LEU 64 CO 0.00 1.06 -0.21 0.00 -0.13 0.00 0.00 178.44 179.16 1s6j h MET 65 N -1.00 0.00 -0.50 1.25 -0.00 -1.46 -1.23 114.93 111.99 1s6j h MET 65 Ca -0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.54 1s6j h MET 65 Cb 0.86 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.44 1s6j h MET 65 CO -0.08 0.21 0.17 0.22 -0.00 0.00 0.00 176.91 177.43 1s6j h ASP 66 N 0.00 0.68 0.42 -0.10 1.82 -1.24 -2.15 116.42 115.84 1s6j h ASP 66 Ca -0.00 -0.09 -0.27 0.00 -0.39 0.00 0.00 57.03 56.27 1s6j h ASP 66 Cb 0.51 -0.17 -0.05 0.00 0.68 0.00 0.00 39.33 40.30 1s6j h ASP 66 CO 0.03 0.64 -1.80 0.00 -1.61 0.00 0.00 179.24 176.50 1s6j n ALA 67 N -2.46 1.64 1.11 -0.78 0.00 -1.03 -3.95 120.51 115.04 1s6j n ALA 67 Ca 0.04 -0.83 0.11 0.00 0.00 0.00 0.00 53.44 52.76 1s6j n ALA 67 Cb 0.18 -0.73 0.58 0.00 0.00 0.00 0.00 19.45 19.48 1s6j n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6j n ALA 68 N -2.55 2.18 -3.88 0.00 0.00 -0.49 -4.42 120.51 111.35 1s6j n ALA 68 Ca -0.18 -0.11 -0.30 0.00 0.00 0.00 0.00 53.44 52.84 1s6j n ALA 68 Cb 1.01 -1.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.94 1s6j n ALA 68 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s6j s ASP 69 N -2.49 4.13 0.21 0.00 -1.08 -0.82 -3.07 116.67 113.54 1s6j s ASP 69 Ca 0.23 -1.60 0.16 0.00 -0.52 0.00 0.00 52.55 50.82 1s6j s ASP 69 Cb 0.15 -1.17 0.00 0.00 -1.46 0.00 0.00 42.92 40.44 1s6j s ASP 69 CO 0.33 -0.34 1.24 0.40 0.52 0.00 0.00 175.17 177.31 1s6j h ILE 70 N 6.58 0.70 0.00 4.11 2.04 -1.84 -3.28 117.51 125.83 1s6j h ILE 70 Ca -0.12 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.65 1s6j h ILE 70 Cb 1.04 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 1s6j h ILE 70 CO 0.46 0.40 0.00 0.47 0.00 0.00 0.00 178.15 179.48 1s6j n ASP 71 N -3.09 0.00 -3.46 1.72 8.00 -1.26 -4.84 116.55 113.62 1s6j n ASP 71 Ca -0.02 -0.95 -0.24 0.00 0.71 0.00 0.00 54.79 54.29 1s6j n ASP 71 Cb 0.76 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.80 1s6j n ASP 71 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1s6j n LYS 72 N -0.67 -0.87 0.00 -1.24 0.00 -1.24 -4.72 118.16 109.42 1s6j n LYS 72 Ca 0.05 0.08 0.09 0.00 -0.00 0.00 0.00 58.31 58.52 1s6j n LYS 72 Cb 0.02 -2.69 0.02 0.00 -0.00 0.00 0.00 35.03 32.39 1s6j n LYS 72 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1s6j n SER 73 N -1.36 1.95 0.00 -5.58 3.41 -1.26 -4.96 113.62 105.82 1s6j n SER 73 Ca -0.02 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 1s6j n SER 73 Cb 0.33 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1s6j n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6j n GLY 74 N 1.16 0.91 3.07 5.00 0.00 -1.26 -5.01 105.19 109.05 1s6j n GLY 74 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1s6j n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6j s THR 75 N -3.61 1.51 -0.23 2.61 -4.23 -1.26 -4.14 115.64 106.29 1s6j s THR 75 Ca 0.00 -0.66 -0.17 0.00 -1.18 0.00 0.00 61.69 59.68 1s6j s THR 75 Cb 0.00 -1.38 -0.03 0.00 1.34 0.00 0.00 72.50 72.43 1s6j s THR 75 CO 0.00 0.44 0.46 -0.51 -0.54 0.00 0.00 174.62 174.48 1s6j s ILE 76 N 0.91 5.13 0.31 2.99 2.07 -0.06 -4.92 121.20 127.63 1s6j s ILE 76 Ca -0.08 0.81 0.10 0.00 -1.41 0.00 0.00 60.65 60.06 1s6j s ILE 76 Cb -0.15 -3.78 -0.06 0.00 0.13 0.00 0.00 42.46 38.59 1s6j s ILE 76 CO -0.00 0.17 -0.13 1.51 -1.91 0.00 0.00 174.94 174.58 1s6j s ASP 77 N 1.31 3.51 0.25 4.50 -4.77 -1.26 -2.53 116.67 117.68 1s6j s ASP 77 Ca 0.20 -1.13 0.14 0.00 -3.30 0.00 0.00 52.55 48.46 1s6j s ASP 77 Cb -0.15 -0.30 0.77 0.00 -1.09 0.00 0.00 42.92 42.15 1s6j s ASP 77 CO 0.09 -0.14 1.39 0.00 0.70 0.00 0.00 175.17 177.21 1s6j n TYR 78 N -0.69 0.48 0.07 2.11 0.18 -1.26 -0.82 117.16 117.23 1s6j n TYR 78 Ca -0.05 0.25 -0.08 0.00 1.88 0.00 0.00 57.90 59.90 1s6j n TYR 78 Cb 0.62 -0.83 -0.12 0.00 -0.38 0.00 0.00 39.34 38.63 1s6j n TYR 78 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1s6j h GLY 79 N 0.00 0.04 0.00 -7.48 0.00 -1.95 -3.31 103.07 90.37 1s6j h GLY 79 Ca 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 1s6j h GLY 79 CO 0.00 0.09 -0.57 0.83 0.00 0.00 0.00 176.54 176.89 1s6j h GLU 80 N 0.01 0.00 -0.92 4.80 5.08 -1.24 -3.37 114.58 118.94 1s6j h GLU 80 Ca -0.03 0.00 0.38 0.00 -1.00 0.00 0.00 59.36 58.72 1s6j h GLU 80 Cb 1.79 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.88 1s6j h GLU 80 CO 0.14 0.50 0.51 0.34 -1.00 0.00 0.00 179.01 179.50 1s6j n PHE 81 N -4.59 1.04 0.44 4.33 7.35 -0.93 -0.09 117.46 125.01 1s6j n PHE 81 Ca -0.15 1.05 -0.19 0.00 -0.76 0.00 0.00 57.45 57.40 1s6j n PHE 81 Cb 0.39 -1.46 -0.09 0.00 0.35 0.00 0.00 39.48 38.67 1s6j n PHE 81 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1s6j h ILE 82 N 0.00 0.19 0.00 -2.13 2.04 -1.73 -2.25 117.51 113.64 1s6j h ILE 82 Ca 0.77 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.63 1s6j h ILE 82 Cb 2.07 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1s6j h ILE 82 CO -0.68 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.47 1s6j h ALA 83 N -0.91 1.00 -0.43 1.87 0.00 -0.65 -3.37 119.26 116.77 1s6j h ALA 83 Ca -0.11 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.34 1s6j h ALA 83 Cb 0.84 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1s6j h ALA 83 CO 0.18 0.00 1.54 0.00 0.00 0.00 0.00 179.25 180.97 1s6j n ALA 84 N -1.84 2.47 -3.64 0.00 0.00 0.04 -4.78 120.51 112.77 1s6j n ALA 84 Ca -0.00 -3.23 -0.07 0.00 0.00 0.00 0.00 53.44 50.13 1s6j n ALA 84 Cb 0.14 -3.53 -0.07 0.00 0.00 0.00 0.00 19.45 16.00 1s6j n ALA 84 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1s6j s THR 85 N 8.66 0.00 0.00 0.00 -1.32 -1.26 -4.97 115.64 116.75 1s6j s THR 85 Ca 0.63 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.11 1s6j s THR 85 Cb 0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 1s6j s THR 85 CO 0.12 0.00 0.00 0.52 -2.21 0.00 0.00 174.62 173.05 1s6j n VAL 86 N 3.26 0.00 1.63 5.08 0.31 -1.26 -5.20 118.33 122.15 1s6j n VAL 86 Ca -0.16 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.31 1s6j n VAL 86 Cb 0.57 0.00 0.63 0.00 -0.91 0.00 0.00 33.84 34.13 1s6j n VAL 86 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92