#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 6.30 0.00 0.26 1.04 -1.26 -5.07 113.70 114.98 1s6j s SER 2 Ca 0.00 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.80 1s6j s SER 2 Cb 0.00 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 64.13 1s6j s SER 2 CO 0.00 -0.24 0.40 -1.54 0.98 0.00 0.00 173.24 172.84 1s6j n SER 3 N -1.67 0.00 0.00 7.02 3.41 -1.26 -5.04 113.62 116.08 1s6j n SER 3 Ca -0.06 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1s6j n SER 3 Cb 0.56 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 0.76 0.30 0.13 5.00 0.00 -1.26 -5.07 105.19 105.06 1s6j n GLY 4 Ca 0.00 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 0.00 -3.21 1.61 8.25 -1.26 -4.94 115.22 115.66 1s6j n HIS 5 Ca 0.00 -0.48 -0.40 0.00 -0.26 0.00 0.00 57.72 56.58 1s6j n HIS 5 Cb 0.00 -0.08 -0.07 0.00 1.12 0.00 0.00 29.99 30.96 1s6j n HIS 5 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1s6j s ILE 6 N -1.26 5.06 -0.25 1.59 1.09 -1.26 -4.94 121.20 121.22 1s6j s ILE 6 Ca 0.11 0.93 0.01 0.00 -1.10 0.00 0.00 60.65 60.60 1s6j s ILE 6 Cb 0.10 -3.85 0.32 0.00 -1.06 0.00 0.00 42.46 37.97 1s6j s ILE 6 CO 0.01 0.08 1.59 -0.90 -0.10 0.00 0.00 174.94 175.63 1s6j n ASP 7 N 5.53 4.10 0.00 3.58 5.75 -1.26 -1.81 116.55 132.44 1s6j n ASP 7 Ca -0.04 -2.89 0.00 0.00 -0.01 0.00 0.00 54.79 51.86 1s6j n ASP 7 Cb 0.50 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1s6j n ASP 7 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1s6j n ASP 8 N -0.20 1.44 0.00 -1.12 2.03 -1.26 -3.91 116.55 113.53 1s6j n ASP 8 Ca 0.31 -0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1s6j n ASP 8 Cb 0.98 0.99 0.00 0.00 -0.72 0.00 0.00 41.12 42.37 1s6j n ASP 8 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1s6j n ASP 9 N -1.13 0.00 -0.10 1.67 5.68 -1.24 -4.77 116.55 116.65 1s6j n ASP 9 Ca 0.00 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 54.13 1s6j n ASP 9 Cb 0.00 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.92 1s6j n ASP 9 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1s6j n ASP 10 N -0.21 1.93 -0.03 -1.12 2.03 -0.86 -4.56 116.55 113.73 1s6j n ASP 10 Ca 0.00 0.37 0.12 0.00 0.52 0.00 0.00 54.79 55.81 1s6j n ASP 10 Cb 0.00 -0.79 0.29 0.00 -0.72 0.00 0.00 41.12 39.90 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 -4.41 0.10 0.16 -0.67 4.76 -0.75 -3.78 118.16 113.58 1s6j n LYS 11 Ca -0.28 -0.06 0.13 0.00 -2.87 0.00 0.00 58.31 55.23 1s6j n LYS 11 Cb 0.62 -1.50 0.57 0.00 -1.84 0.00 0.00 35.03 32.89 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 0.14 0.00 0.00 2.13 2.07 -1.77 -2.93 115.15 114.78 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 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.48 1s6j h HIS 12 CO 0.00 0.00 0.38 0.00 -3.07 0.00 0.00 177.93 175.24 1s6j h MET 13 N 0.00 0.00 -0.33 5.12 -0.00 -1.83 0.02 114.93 117.91 1s6j h MET 13 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1s6j h MET 13 Cb 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.84 1s6j h MET 13 CO 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 176.91 177.05 1s6j h ALA 14 N 1.21 1.62 -0.44 -3.00 0.00 -1.84 -3.09 119.26 113.72 1s6j h ALA 14 Ca 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 1s6j h ALA 14 Cb 0.75 -0.14 -0.36 0.00 0.00 0.00 0.00 17.79 18.05 1s6j h ALA 14 CO 0.00 0.30 -0.92 0.39 0.00 0.00 0.00 179.25 179.02 1s6j n GLU 15 N -4.41 2.20 -0.13 0.00 1.02 -0.03 -4.80 120.64 114.50 1s6j n GLU 15 Ca 0.02 -3.54 0.03 0.00 -0.02 0.00 0.00 57.16 53.64 1s6j n GLU 15 Cb 0.13 -1.66 0.09 0.00 -0.02 0.00 0.00 31.44 29.98 1s6j n GLU 15 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1s6j n ARG 16 N -0.57 1.58 -2.16 3.49 1.85 -1.09 -4.83 116.66 114.93 1s6j n ARG 16 Ca 0.22 -0.70 -0.42 0.00 -1.00 0.00 0.00 57.85 55.95 1s6j n ARG 16 Cb 0.89 -1.30 -0.03 0.00 -1.05 0.00 0.00 32.46 30.98 1s6j n ARG 16 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1s6j s LEU 17 N -0.91 3.48 -0.31 2.89 2.01 -1.26 -4.93 118.68 119.65 1s6j s LEU 17 Ca 0.13 0.87 0.01 0.00 0.01 0.00 0.00 54.13 55.14 1s6j s LEU 17 Cb 0.08 -3.30 0.14 0.00 0.01 0.00 0.00 46.19 43.12 1s6j s LEU 17 CO 0.07 -1.73 0.32 -0.94 1.01 0.00 0.00 176.35 175.08 1s6j s SER 18 N 5.55 1.49 0.21 2.29 1.04 -1.26 -4.98 113.70 118.03 1s6j s SER 18 Ca 0.69 -0.91 0.24 0.00 0.48 0.00 0.00 55.95 56.44 1s6j s SER 18 Cb -0.17 0.55 0.91 0.00 0.10 0.00 0.00 66.02 67.42 1s6j s SER 18 CO 0.30 -0.36 1.72 -0.62 0.98 0.00 0.00 173.24 175.26 1s6j n GLU 19 N 5.08 0.19 0.23 4.02 1.02 -1.26 -1.09 120.64 128.83 1s6j n GLU 19 Ca 0.01 0.33 0.15 0.00 -0.02 0.00 0.00 57.16 57.63 1s6j n GLU 19 Cb 0.46 -1.80 0.55 0.00 -0.02 0.00 0.00 31.44 30.63 1s6j n GLU 19 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1s6j h GLU 20 N 0.00 0.00 0.00 3.49 5.08 -2.00 -3.13 114.58 118.02 1s6j h GLU 20 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s6j h GLU 20 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1s6j h GLU 20 CO 0.00 0.00 -0.81 0.39 -1.00 0.00 0.00 179.01 177.59 1s6j n GLU 21 N -2.85 0.00 0.18 2.33 1.02 -1.07 -3.94 120.64 116.31 1s6j n GLU 21 Ca 0.02 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.25 1s6j n GLU 21 Cb 0.33 -0.46 0.51 0.00 -0.02 0.00 0.00 31.44 31.80 1s6j n GLU 21 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1s6j h ILE 22 N 0.00 0.00 0.07 -3.67 2.04 -1.28 -2.14 117.51 112.54 1s6j h ILE 22 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1s6j h ILE 22 Cb 0.81 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1s6j h ILE 22 CO 0.00 0.00 -0.21 1.23 0.00 0.00 0.00 178.15 179.17 1s6j h GLY 23 N 0.00 -1.16 0.41 5.37 0.00 -1.75 -3.23 103.07 102.71 1s6j h GLY 23 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1s6j h GLY 23 CO 0.00 -0.38 -1.07 0.61 0.00 0.00 0.00 176.54 175.71 1s6j n GLY 24 N -1.20 -1.13 0.03 4.60 0.00 -1.16 -4.23 105.19 102.09 1s6j n GLY 24 Ca -0.04 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.53 1s6j n GLY 24 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s6j n LEU 25 N -1.82 0.08 -0.01 0.99 0.00 -0.81 -0.38 117.00 115.04 1s6j n LEU 25 Ca 0.02 0.43 -0.01 0.00 0.00 0.00 0.00 56.01 56.46 1s6j n LEU 25 Cb 0.41 -0.44 -0.00 0.00 0.00 0.00 0.00 43.42 43.39 1s6j n LEU 25 CO 0.41 -0.46 -0.06 0.11 0.00 0.00 0.00 177.39 177.39 1s6j h LYS 26 N 0.00 0.00 0.00 1.96 1.57 -1.73 -3.38 116.57 114.98 1s6j h LYS 26 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s6j h LYS 26 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1s6j h LYS 26 CO 0.00 0.00 -0.08 0.93 -0.57 0.00 0.00 179.45 179.73 1s6j h GLU 27 N -0.19 0.00 0.10 3.15 5.08 -1.82 -3.42 114.58 117.48 1s6j h GLU 27 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s6j h GLU 27 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1s6j h GLU 27 CO 0.00 0.00 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.89 1s6j h LEU 28 N -0.17 -0.11 -0.84 1.33 3.38 -1.88 -3.20 115.31 113.81 1s6j h LEU 28 Ca 0.00 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.21 1s6j h LEU 28 Cb 0.08 0.03 -0.16 0.00 0.09 0.00 0.00 40.66 40.71 1s6j h LEU 28 CO 0.00 -0.04 0.04 0.33 0.09 0.00 0.00 178.44 178.87 1s6j n PHE 29 N -2.58 0.57 0.06 1.13 7.35 0.48 0.12 117.46 124.59 1s6j n PHE 29 Ca -0.02 1.02 -0.13 0.00 -0.76 0.00 0.00 57.45 57.56 1s6j n PHE 29 Cb 0.05 -1.15 -0.08 0.00 0.35 0.00 0.00 39.48 38.65 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 -0.09 0.00 -4.13 1.57 -1.70 0.23 116.57 112.45 1s6j h LYS 30 Ca 0.52 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1s6j h LYS 30 Cb 1.11 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1s6j h LYS 30 CO -0.79 0.06 0.00 -0.12 -0.57 0.00 0.00 179.45 178.03 1s6j n MET 31 N -5.07 0.16 -0.08 3.15 1.56 0.12 -3.20 117.12 113.75 1s6j n MET 31 Ca -0.08 0.53 -0.08 0.00 -0.27 0.00 0.00 57.70 57.80 1s6j n MET 31 Cb 0.12 -1.89 -0.03 0.00 2.15 0.00 0.00 33.22 33.57 1s6j n MET 31 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1s6j n ILE 32 N -2.21 1.45 -1.65 1.12 5.41 0.08 -4.78 119.36 118.78 1s6j n ILE 32 Ca 0.00 0.16 -0.34 0.00 1.00 0.00 0.00 62.75 63.58 1s6j n ILE 32 Cb 0.12 -2.34 -0.04 0.00 -0.71 0.00 0.00 39.64 36.67 1s6j n ILE 32 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1s6j s ASP 33 N -5.91 4.52 0.02 4.38 -1.08 0.75 -4.74 116.67 114.61 1s6j s ASP 33 Ca -0.20 0.78 0.01 0.00 -0.52 0.00 0.00 52.55 52.62 1s6j s ASP 33 Cb 0.03 -2.51 0.06 0.00 -1.46 0.00 0.00 42.92 39.03 1s6j s ASP 33 CO 0.31 -2.92 1.00 0.41 0.52 0.00 0.00 175.17 174.49 1s6j n THR 34 N 7.96 1.82 0.03 1.71 -1.04 -1.26 -0.02 114.28 123.48 1s6j n THR 34 Ca 0.35 0.51 0.06 0.00 -2.04 0.00 0.00 64.05 62.94 1s6j n THR 34 Cb 0.53 -1.51 -0.09 0.00 -1.82 0.00 0.00 70.33 67.43 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 -1.51 2.10 -0.71 8.00 -0.08 -1.26 -4.98 116.55 118.12 1s6j n ASP 35 Ca -0.00 -0.04 -0.07 0.00 -1.51 0.00 0.00 54.79 53.17 1s6j n ASP 35 Cb 0.04 1.53 -0.03 0.00 2.34 0.00 0.00 41.12 45.00 1s6j n ASP 35 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1s6j n ASN 36 N -1.89 -3.50 0.20 1.67 3.02 0.98 -4.71 115.26 111.02 1s6j n ASN 36 Ca -0.02 0.16 0.14 0.00 -0.03 0.00 0.00 54.58 54.83 1s6j n ASN 36 Cb 0.31 -2.76 0.46 0.00 -0.61 0.00 0.00 39.78 37.18 1s6j n ASN 36 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1s6j h SER 37 N 0.00 0.00 0.00 6.41 4.64 -1.94 -3.46 113.55 119.20 1s6j h SER 37 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1s6j h SER 37 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1s6j h SER 37 CO 0.20 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 1s6j n GLY 38 N 0.53 1.03 3.11 -0.77 0.00 -1.26 -5.10 105.19 102.73 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 -0.03 -0.15 2.61 -4.23 -1.26 -4.66 115.64 105.92 1s6j s THR 39 Ca 0.00 0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.57 1s6j s THR 39 Cb 0.00 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.38 1s6j s THR 39 CO 0.00 0.05 0.05 -0.63 -0.54 0.00 0.00 174.62 173.55 1s6j s ILE 40 N 1.11 4.70 -0.01 2.99 1.09 -1.10 -4.85 121.20 125.14 1s6j s ILE 40 Ca -0.08 -0.08 0.05 0.00 -1.10 0.00 0.00 60.65 59.44 1s6j s ILE 40 Cb -0.09 -3.08 -0.01 0.00 -1.06 0.00 0.00 42.46 38.22 1s6j s ILE 40 CO -0.08 0.51 -0.16 0.42 -0.10 0.00 0.00 174.94 175.54 1s6j s THR 41 N -0.08 1.24 0.21 2.92 -4.23 -1.26 -0.75 115.64 113.69 1s6j s THR 41 Ca 0.06 -0.71 -0.04 0.00 -1.18 0.00 0.00 61.69 59.82 1s6j s THR 41 Cb -0.12 -1.04 0.33 0.00 1.34 0.00 0.00 72.50 73.00 1s6j s THR 41 CO 0.01 0.32 1.13 0.33 -0.54 0.00 0.00 174.62 175.88 1s6j n PHE 42 N 2.61 0.31 -0.25 3.99 7.35 -1.21 0.18 117.46 130.44 1s6j n PHE 42 Ca -0.15 0.88 -0.00 0.00 -0.76 0.00 0.00 57.45 57.42 1s6j n PHE 42 Cb 0.55 -0.95 0.12 0.00 0.35 0.00 0.00 39.48 39.54 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 0.60 1.47 -2.13 3.58 -1.96 -1.41 116.42 116.58 1s6j h ASP 43 Ca 0.37 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.85 1s6j h ASP 43 Cb 0.63 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 1s6j h ASP 43 CO -0.73 0.38 -0.53 -0.33 -2.88 0.00 0.00 179.24 175.14 1s6j h GLU 44 N 0.73 0.00 0.31 0.28 5.08 0.15 -3.30 114.58 117.83 1s6j h GLU 44 Ca 0.33 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1s6j h GLU 44 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1s6j h GLU 44 CO -0.20 0.01 -0.15 1.25 -1.00 0.00 0.00 179.01 178.92 1s6j h LEU 45 N 0.00 -0.35 -1.67 1.33 5.85 0.28 -3.26 115.31 117.49 1s6j h LEU 45 Ca -0.00 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.82 1s6j h LEU 45 Cb 1.01 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1s6j h LEU 45 CO 0.00 -0.16 0.38 0.07 -0.34 0.00 0.00 178.44 178.39 1s6j h LYS 46 N -0.59 0.37 0.00 1.25 2.10 -1.55 0.41 116.57 118.55 1s6j h LYS 46 Ca -0.04 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1s6j h LYS 46 Cb 0.32 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1s6j h LYS 46 CO 0.07 0.24 0.06 0.22 -2.00 0.00 0.00 179.45 178.04 1s6j h ASP 47 N 0.38 0.00 0.13 7.07 3.58 -1.63 0.97 116.42 126.91 1s6j h ASP 47 Ca 0.26 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.35 1s6j h ASP 47 Cb 0.52 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 1s6j h ASP 47 CO -0.07 0.00 -2.03 0.61 -2.88 0.00 0.00 179.24 174.87 1s6j n GLY 48 N -1.27 -0.56 0.04 -0.78 0.00 0.13 -3.11 105.19 99.64 1s6j n GLY 48 Ca -0.02 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.86 1s6j n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s6j n LEU 49 N -3.43 0.62 0.01 0.99 4.77 -0.59 -3.91 117.00 115.46 1s6j n LEU 49 Ca -0.32 0.09 -0.22 0.00 -0.03 0.00 0.00 56.01 55.53 1s6j n LEU 49 Cb 1.04 -0.18 -0.14 0.00 -2.33 0.00 0.00 43.42 41.82 1s6j n LEU 49 CO 0.41 0.02 -0.47 0.07 -1.33 0.00 0.00 177.39 176.10 1s6j h LYS 50 N 0.00 0.25 0.00 3.23 2.10 0.76 -3.30 116.57 119.61 1s6j h LYS 50 Ca 0.00 -0.42 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1s6j h LYS 50 Cb 0.67 0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 1s6j h LYS 50 CO 0.00 1.20 0.00 -0.09 -2.00 0.00 0.00 179.45 178.56 1s6j h ARG 51 N -0.27 0.00 0.02 0.07 9.65 -1.68 -0.29 114.38 121.87 1s6j h ARG 51 Ca -0.32 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.36 1s6j h ARG 51 Cb 1.79 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.36 1s6j h ARG 51 CO 0.06 0.00 -0.93 0.28 2.80 0.00 0.00 179.97 182.18 1s6j h VAL 52 N 0.00 1.57 -6.22 0.20 2.07 -1.68 -3.48 116.25 108.71 1s6j h VAL 52 Ca 0.00 -2.91 -0.45 0.00 0.82 0.00 0.00 66.70 64.16 1s6j h VAL 52 Cb 0.04 2.63 0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1s6j h VAL 52 CO 0.00 0.84 -0.83 0.61 0.02 0.00 0.00 177.57 178.21 1s6j n GLY 53 N 1.05 -0.31 0.00 2.17 0.00 -0.12 -4.97 105.19 103.01 1s6j n GLY 53 Ca -0.03 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1s6j n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s6j n SER 54 N -3.00 0.00 -0.70 1.61 3.41 -1.26 -4.99 113.62 108.69 1s6j n SER 54 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 1s6j n SER 54 Cb 0.65 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1s6j n SER 54 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1s6j n GLU 55 N 0.00 0.00 -3.45 4.33 -0.00 -1.26 -5.11 120.64 115.15 1s6j n GLU 55 Ca 0.00 -0.98 -0.33 0.00 -0.00 0.00 0.00 57.16 55.84 1s6j n GLU 55 Cb 0.00 -0.26 -0.05 0.00 -0.00 0.00 0.00 31.44 31.12 1s6j n GLU 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1s6j s LEU 56 N 0.00 4.25 -0.08 -1.84 1.43 -1.26 -5.09 118.68 116.09 1s6j s LEU 56 Ca 0.06 0.91 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 1s6j s LEU 56 Cb 0.07 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 1s6j s LEU 56 CO -0.03 0.02 -0.10 -0.32 0.23 0.00 0.00 176.35 176.16 1s6j s MET 57 N -2.44 2.90 0.03 1.70 -2.45 -1.26 -4.97 119.30 112.81 1s6j s MET 57 Ca 0.42 -0.61 0.01 0.00 -1.25 0.00 0.00 55.69 54.27 1s6j s MET 57 Cb -0.13 -2.58 0.08 0.00 1.25 0.00 0.00 34.83 33.46 1s6j s MET 57 CO 0.20 0.53 0.89 -0.85 1.05 0.00 0.00 175.02 176.84 1s6j n GLU 58 N 2.63 0.01 0.09 4.11 0.28 -1.26 -0.47 120.64 126.03 1s6j n GLU 58 Ca -0.18 0.36 -0.07 0.00 -0.16 0.00 0.00 57.16 57.11 1s6j n GLU 58 Cb 0.53 -1.71 -0.00 0.00 1.43 0.00 0.00 31.44 31.68 1s6j n GLU 58 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1s6j h SER 59 N 0.00 0.13 1.21 -1.84 4.64 -2.03 -3.15 113.55 112.51 1s6j h SER 59 Ca 0.00 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 1s6j h SER 59 Cb 0.35 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1s6j h SER 59 CO 0.00 0.93 -0.27 -0.33 -0.87 0.00 0.00 176.83 176.28 1s6j h GLU 60 N 0.05 0.00 0.00 4.77 5.08 -1.19 -2.99 114.58 120.31 1s6j h GLU 60 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1s6j h GLU 60 Cb 1.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 1s6j h GLU 60 CO 0.12 0.27 -0.01 0.82 -1.00 0.00 0.00 179.01 179.22 1s6j h ILE 61 N 0.00 0.03 0.17 3.13 1.08 -1.62 -0.58 117.51 119.72 1s6j h ILE 61 Ca -0.00 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1s6j h ILE 61 Cb 0.95 1.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.92 1s6j h ILE 61 CO 0.04 0.01 -0.08 0.11 -0.69 0.00 0.00 178.15 177.53 1s6j h LYS 62 N 0.00 -0.22 0.00 2.37 1.79 -1.66 0.20 116.57 119.05 1s6j h LYS 62 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1s6j h LYS 62 Cb 0.21 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1s6j h LYS 62 CO 0.00 -0.15 0.12 0.22 -1.08 0.00 0.00 179.45 178.56 1s6j h ASP 63 N -0.55 0.00 0.18 0.86 3.58 -1.68 0.63 116.42 119.44 1s6j h ASP 63 Ca -0.02 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.17 1s6j h ASP 63 Cb 0.17 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.25 1s6j h ASP 63 CO 0.04 0.00 -1.14 0.25 -2.88 0.00 0.00 179.24 175.51 1s6j h LEU 64 N 0.00 0.59 0.00 2.28 5.85 -1.01 -3.29 115.31 119.72 1s6j h LEU 64 Ca 0.00 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.79 1s6j h LEU 64 Cb 0.23 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1s6j h LEU 64 CO 0.00 1.54 -0.39 -0.03 -0.34 0.00 0.00 178.44 179.22 1s6j h MET 65 N -0.18 0.00 -1.22 1.25 4.05 0.21 -3.09 114.93 115.95 1s6j h MET 65 Ca -0.21 0.00 0.35 0.00 -0.28 0.00 0.00 59.70 59.57 1s6j h MET 65 Cb 1.85 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.60 1s6j h MET 65 CO 0.18 0.00 1.05 0.22 0.23 0.00 0.00 176.91 178.59 1s6j h ASP 66 N -0.94 0.00 0.08 1.39 3.58 -0.09 0.15 116.42 120.60 1s6j h ASP 66 Ca 0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 1s6j h ASP 66 Cb 0.39 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 1s6j h ASP 66 CO 0.00 0.00 -1.60 0.00 -2.88 0.00 0.00 179.24 174.76 1s6j h ALA 67 N 1.05 0.32 0.00 -0.78 0.00 -1.69 -3.37 119.26 114.79 1s6j h ALA 67 Ca 0.58 -1.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1s6j h ALA 67 Cb 2.67 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 21.12 1s6j h ALA 67 CO -0.01 0.98 -0.12 0.00 0.00 0.00 0.00 179.25 180.11 1s6j h ALA 68 N -0.16 1.62 -3.31 0.00 0.00 -0.72 -3.35 119.26 113.34 1s6j h ALA 68 Ca -0.37 -0.11 -0.62 0.00 0.00 0.00 0.00 54.91 53.81 1s6j h ALA 68 Cb 1.71 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 19.08 1s6j h ALA 68 CO -0.03 0.15 -0.73 0.34 0.00 0.00 0.00 179.25 178.98 1s6j s ASP 69 N -6.70 4.22 0.01 0.00 2.15 0.11 -3.56 116.67 112.88 1s6j s ASP 69 Ca -0.04 -2.17 0.27 0.00 0.43 0.00 0.00 52.55 51.05 1s6j s ASP 69 Cb 0.15 -1.23 0.92 0.00 -0.30 0.00 0.00 42.92 42.46 1s6j s ASP 69 CO 0.65 -0.35 1.71 -0.38 -0.17 0.00 0.00 175.17 176.62 1s6j n ILE 70 N 4.19 0.03 0.00 4.11 5.41 -1.26 -3.70 119.36 128.14 1s6j n ILE 70 Ca 0.03 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1s6j n ILE 70 Cb 0.39 -0.20 0.00 0.00 -0.71 0.00 0.00 39.64 39.12 1s6j n ILE 70 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1s6j n ASP 71 N -1.55 0.00 0.00 4.38 2.03 -1.26 -4.75 116.55 115.40 1s6j n ASP 71 Ca 0.06 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1s6j n ASP 71 Cb 0.34 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 1s6j n ASP 71 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1s6j n LYS 72 N -1.43 -0.09 0.00 -0.67 5.02 -1.24 -4.78 118.16 114.98 1s6j n LYS 72 Ca 0.00 0.02 0.14 0.00 -2.02 0.00 0.00 58.31 56.46 1s6j n LYS 72 Cb 0.03 -3.87 0.68 0.00 -0.02 0.00 0.00 35.03 31.85 1s6j n LYS 72 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1s6j n SER 73 N -0.04 0.00 0.00 4.39 3.41 -1.26 -4.88 113.62 115.23 1s6j n SER 73 Ca 0.00 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1s6j n SER 73 Cb 0.02 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 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 1.41 2.45 3.28 5.00 0.00 -1.26 -4.97 105.19 111.10 1s6j n GLY 74 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1s6j n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s6j s THR 75 N -2.96 2.64 -0.12 2.61 2.01 -1.26 -3.28 115.64 115.27 1s6j s THR 75 Ca 0.00 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.10 1s6j s THR 75 Cb 0.00 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 1s6j s THR 75 CO 0.00 0.53 0.23 -0.51 -0.69 0.00 0.00 174.62 174.18 1s6j s ILE 76 N 0.60 5.35 0.26 1.82 -1.16 0.07 -4.87 121.20 123.26 1s6j s ILE 76 Ca -0.09 0.42 0.08 0.00 -0.51 0.00 0.00 60.65 60.54 1s6j s ILE 76 Cb -0.16 -3.53 -0.04 0.00 0.61 0.00 0.00 42.46 39.34 1s6j s ILE 76 CO 0.03 0.52 0.08 -0.62 -2.81 0.00 0.00 174.94 172.14 1s6j s ASP 77 N -0.40 4.98 0.22 4.50 -1.08 -1.26 -2.70 116.67 120.94 1s6j s ASP 77 Ca 0.16 -0.46 -0.14 0.00 -0.52 0.00 0.00 52.55 51.59 1s6j s ASP 77 Cb -0.13 -1.10 0.26 0.00 -1.46 0.00 0.00 42.92 40.49 1s6j s ASP 77 CO 0.05 -0.01 1.61 1.88 0.52 0.00 0.00 175.17 179.21 1s6j h TYR 78 N 1.75 -0.46 0.00 -5.34 -1.99 -1.85 0.20 116.97 109.29 1s6j h TYR 78 Ca -0.46 0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1s6j h TYR 78 Cb 1.24 0.31 0.00 0.00 2.00 0.00 0.00 36.73 40.28 1s6j h TYR 78 CO 0.63 -0.32 0.00 0.41 -0.00 0.00 0.00 178.16 178.88 1s6j n GLY 79 N -1.47 -1.39 0.07 3.88 0.00 -1.25 -2.98 105.19 102.05 1s6j n GLY 79 Ca 0.08 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1s6j n GLY 79 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s6j h GLU 80 N 0.00 0.00 -0.09 1.61 5.08 -0.74 -1.83 114.58 118.61 1s6j h GLU 80 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1s6j h GLU 80 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1s6j h GLU 80 CO 0.00 0.69 0.06 0.35 -1.00 0.00 0.00 179.01 179.11 1s6j h PHE 81 N -1.00 0.04 0.00 4.33 3.57 -1.42 -1.85 116.94 120.60 1s6j h PHE 81 Ca -0.04 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1s6j h PHE 81 Cb 0.75 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1s6j h PHE 81 CO 0.16 0.02 -0.60 0.97 -2.23 0.00 0.00 178.31 176.63 1s6j h ILE 82 N 0.04 0.17 0.00 1.41 2.10 -1.66 -3.45 117.51 116.12 1s6j h ILE 82 Ca 0.04 -1.21 0.00 0.00 1.08 0.00 0.00 64.86 64.77 1s6j h ILE 82 Cb 0.11 0.40 0.00 0.00 -1.09 0.00 0.00 36.82 36.24 1s6j h ILE 82 CO -0.00 0.06 -0.09 0.00 -1.08 0.00 0.00 178.15 177.03 1s6j h ALA 83 N -0.91 0.00 -0.78 0.18 0.00 -1.39 -3.51 119.26 112.86 1s6j h ALA 83 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1s6j h ALA 83 Cb 0.62 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1s6j h ALA 83 CO -0.04 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1s6j n ALA 84 N -2.49 0.00 -1.00 0.00 0.00 -0.70 -5.00 120.51 111.33 1s6j n ALA 84 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1s6j n ALA 84 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1s6j n ALA 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1s6j n THR 85 N -1.44 0.00 -4.48 0.00 -1.04 -1.26 -4.30 114.28 101.77 1s6j n THR 85 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1s6j n THR 85 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 1s6j n THR 85 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1s6j n VAL 86 N -0.68 0.00 0.50 12.58 0.24 -1.26 -3.83 118.33 125.89 1s6j n VAL 86 Ca 0.00 -2.41 0.04 0.00 -2.04 0.00 0.00 64.34 59.93 1s6j n VAL 86 Cb 0.00 0.91 0.24 0.00 -1.47 0.00 0.00 33.84 33.52 1s6j n VAL 86 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69