#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 6.19 0.30 0.41 0.01 -1.26 -4.88 113.70 114.46 1s6j s SER 2 Ca 0.00 -1.72 0.20 0.00 1.31 0.00 0.00 55.95 55.75 1s6j s SER 2 Cb 0.00 -2.22 0.14 0.00 0.21 0.00 0.00 66.02 64.15 1s6j s SER 2 CO 0.00 -0.87 1.33 0.77 0.41 0.00 0.00 173.24 174.89 1s6j h SER 3 N 8.91 0.00 0.00 2.44 4.64 -2.06 -3.46 113.55 124.02 1s6j h SER 3 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1s6j h SER 3 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1s6j h SER 3 CO 1.03 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.78 1s6j n GLY 4 N 1.18 -0.38 0.39 -0.77 0.00 -1.26 -4.98 105.19 99.37 1s6j n GLY 4 Ca 0.01 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1s6j n GLY 4 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1s6j n HIS 5 N 0.00 -0.12 -1.54 1.61 -0.00 -1.26 -4.25 115.22 109.66 1s6j n HIS 5 Ca 0.00 -0.26 -0.32 0.00 -0.00 0.00 0.00 57.72 57.14 1s6j n HIS 5 Cb 0.00 -0.04 -0.07 0.00 -0.00 0.00 0.00 29.99 29.89 1s6j n HIS 5 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1s6j n ILE 6 N -0.21 -0.05 0.00 0.61 2.08 -1.26 -3.98 119.36 116.54 1s6j n ILE 6 Ca -0.02 -0.60 0.00 0.00 0.56 0.00 0.00 62.75 62.69 1s6j n ILE 6 Cb 0.07 -2.14 0.00 0.00 -0.75 0.00 0.00 39.64 36.81 1s6j n ILE 6 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1s6j n ASP 7 N 15.05 0.00 -0.83 4.38 2.03 -1.26 -5.02 116.55 130.90 1s6j n ASP 7 Ca 0.45 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.72 1s6j n ASP 7 Cb 0.42 0.13 -0.05 0.00 -0.72 0.00 0.00 41.12 40.90 1s6j n ASP 7 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1s6j n ASP 8 N -1.38 -0.66 0.01 1.67 2.03 -1.26 -4.92 116.55 112.04 1s6j n ASP 8 Ca 0.00 -1.34 0.00 0.00 0.52 0.00 0.00 54.79 53.97 1s6j n ASP 8 Cb 0.00 0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 1s6j n ASP 8 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1s6j n ASP 9 N 0.00 0.15 0.10 1.67 8.00 -1.26 -4.49 116.55 120.71 1s6j n ASP 9 Ca -0.19 0.03 -0.05 0.00 0.71 0.00 0.00 54.79 55.29 1s6j n ASP 9 Cb 0.55 -0.04 0.05 0.00 -0.02 0.00 0.00 41.12 41.66 1s6j n ASP 9 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1s6j h ASP 10 N 0.00 0.12 0.93 -2.24 1.82 -1.74 -2.48 116.42 112.82 1s6j h ASP 10 Ca 0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1s6j h ASP 10 Cb 0.00 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 39.98 1s6j h ASP 10 CO 0.00 0.84 -0.36 0.29 -1.61 0.00 0.00 179.24 178.40 1s6j n LYS 11 N -3.68 0.17 -0.01 0.28 4.76 -1.26 -3.58 118.16 114.84 1s6j n LYS 11 Ca -0.02 0.08 -0.07 0.00 -2.87 0.00 0.00 58.31 55.43 1s6j n LYS 11 Cb 0.74 -1.64 -0.13 0.00 -1.84 0.00 0.00 35.03 32.16 1s6j n LYS 11 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1s6j h HIS 12 N 0.00 0.00 -0.10 2.13 2.76 -1.76 -3.36 115.15 114.83 1s6j h HIS 12 Ca 0.00 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.01 1s6j h HIS 12 Cb 0.65 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 1s6j h HIS 12 CO 0.00 0.95 -0.62 1.98 -1.30 0.00 0.00 177.93 178.94 1s6j h MET 13 N 0.00 0.36 -0.27 5.26 1.85 -1.51 -2.55 114.93 118.07 1s6j h MET 13 Ca -0.25 -0.25 0.08 0.00 -0.61 0.00 0.00 59.70 58.66 1s6j h MET 13 Cb 1.95 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 34.00 1s6j h MET 13 CO 0.08 0.87 0.24 0.00 -0.40 0.00 0.00 176.91 177.69 1s6j h ALA 14 N 1.07 2.06 -3.00 0.39 0.00 -1.70 -3.35 119.26 114.74 1s6j h ALA 14 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s6j h ALA 14 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1s6j h ALA 14 CO 0.10 -0.38 0.00 0.39 0.00 0.00 0.00 179.25 179.37 1s6j n GLU 15 N -4.09 0.00 -3.63 0.00 1.02 -1.12 -5.11 120.64 107.71 1s6j n GLU 15 Ca 0.04 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 1s6j n GLU 15 Cb 0.39 -0.02 -0.07 0.00 -0.02 0.00 0.00 31.44 31.71 1s6j n GLU 15 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1s6j s ARG 16 N 0.00 0.73 -0.27 3.49 1.70 -0.98 -5.13 118.95 118.49 1s6j s ARG 16 Ca 0.00 0.90 -0.15 0.00 -0.47 0.00 0.00 55.73 56.01 1s6j s ARG 16 Cb 0.00 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 1s6j s ARG 16 CO 0.00 -0.09 0.39 -1.17 -1.08 0.00 0.00 175.30 173.35 1s6j s LEU 17 N 0.46 4.04 -0.62 -1.89 2.96 -1.26 -4.78 118.68 117.59 1s6j s LEU 17 Ca -0.00 0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1s6j s LEU 17 Cb -0.05 -2.45 0.15 0.00 0.50 0.00 0.00 46.19 44.34 1s6j s LEU 17 CO -0.03 -0.19 0.38 -0.55 -1.32 0.00 0.00 176.35 174.64 1s6j s SER 18 N 1.62 4.59 -0.17 3.68 0.15 -1.26 -4.20 113.70 118.11 1s6j s SER 18 Ca 0.16 -3.45 -0.21 0.00 0.70 0.00 0.00 55.95 53.15 1s6j s SER 18 Cb -0.16 -1.64 -0.19 0.00 -1.71 0.00 0.00 66.02 62.32 1s6j s SER 18 CO 0.10 -0.16 0.35 1.05 1.20 0.00 0.00 173.24 175.79 1s6j h GLU 19 N 5.94 0.00 0.00 5.44 4.11 -1.98 -3.44 114.58 124.65 1s6j h GLU 19 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1s6j h GLU 19 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1s6j h GLU 19 CO 0.71 0.84 -0.26 0.39 0.07 0.00 0.00 179.01 180.75 1s6j n GLU 20 N -4.54 0.22 0.00 1.06 -0.58 -1.26 -4.99 120.64 110.55 1s6j n GLU 20 Ca -0.20 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1s6j n GLU 20 Cb 0.52 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 30.21 1s6j n GLU 20 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1s6j n GLU 21 N -3.40 0.00 0.18 3.49 0.28 -1.26 -2.77 120.64 117.16 1s6j n GLU 21 Ca -0.04 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.04 1s6j n GLU 21 Cb 0.14 0.00 0.43 0.00 1.43 0.00 0.00 31.44 33.43 1s6j n GLU 21 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1s6j h ILE 22 N 0.00 0.00 0.21 3.84 2.04 -1.93 0.36 117.51 122.03 1s6j h ILE 22 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1s6j h ILE 22 Cb 0.00 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1s6j h ILE 22 CO 0.00 0.00 -0.10 1.23 0.00 0.00 0.00 178.15 179.28 1s6j h GLY 23 N 0.00 -0.29 -0.34 5.37 0.00 -1.90 -3.38 103.07 102.53 1s6j h GLY 23 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1s6j h GLY 23 CO 0.00 -0.11 -0.40 0.61 0.00 0.00 0.00 176.54 176.64 1s6j n GLY 24 N 0.46 -0.34 0.46 4.60 0.00 -1.11 -4.30 105.19 104.95 1s6j n GLY 24 Ca -0.03 -0.53 0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 1.70 0.09 0.06 0.99 6.46 -1.10 0.48 115.31 124.00 1s6j h LEU 25 Ca 0.00 0.01 -0.31 0.00 -0.12 0.00 0.00 57.88 57.46 1s6j h LEU 25 Cb 0.62 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 1s6j h LEU 25 CO 0.00 0.03 -1.73 0.29 -0.62 0.00 0.00 178.44 176.41 1s6j n LYS 26 N -4.32 0.67 -0.01 1.25 4.01 -1.26 -3.46 118.16 115.03 1s6j n LYS 26 Ca 0.20 0.39 -0.01 0.00 -0.51 0.00 0.00 58.31 58.38 1s6j n LYS 26 Cb 0.94 -1.71 -0.00 0.00 -0.51 0.00 0.00 35.03 33.75 1s6j n LYS 26 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1s6j h GLU 27 N -0.44 0.00 0.21 1.97 4.57 -1.65 -3.40 114.58 115.84 1s6j h GLU 27 Ca -0.41 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.76 1s6j h GLU 27 Cb 1.70 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.29 1s6j h GLU 27 CO -0.07 0.00 -0.10 -0.07 -1.18 0.00 0.00 179.01 177.59 1s6j h LEU 28 N -0.18 -0.24 -0.99 1.64 3.38 -1.44 -3.05 115.31 114.43 1s6j h LEU 28 Ca 0.00 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.20 1s6j h LEU 28 Cb 0.08 0.06 -0.19 0.00 0.09 0.00 0.00 40.66 40.70 1s6j h LEU 28 CO 0.00 0.01 -0.14 0.15 0.09 0.00 0.00 178.44 178.55 1s6j h PHE 29 N -0.66 -0.34 -0.54 1.13 3.57 -0.33 0.63 116.94 120.41 1s6j h PHE 29 Ca -0.03 0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 1s6j h PHE 29 Cb 0.22 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1s6j h PHE 29 CO 0.04 -0.43 -0.01 0.87 -2.23 0.00 0.00 178.31 176.54 1s6j h LYS 30 N 0.00 0.94 0.00 1.11 1.57 -1.70 -0.33 116.57 118.16 1s6j h LYS 30 Ca 0.52 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1s6j h LYS 30 Cb 0.91 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1s6j h LYS 30 CO -0.98 0.94 0.00 1.98 -0.57 0.00 0.00 179.45 180.82 1s6j h MET 31 N 0.86 0.00 0.09 3.15 4.05 0.18 -3.19 114.93 120.08 1s6j h MET 31 Ca 0.16 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 59.22 1s6j h MET 31 Cb 0.53 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.30 1s6j h MET 31 CO 0.03 0.00 -2.01 -0.89 0.23 0.00 0.00 176.91 174.27 1s6j n ILE 32 N -2.31 1.71 -1.94 1.77 5.41 0.92 -4.86 119.36 120.06 1s6j n ILE 32 Ca 0.03 -0.57 -0.42 0.00 1.00 0.00 0.00 62.75 62.79 1s6j n ILE 32 Cb 0.32 -1.72 -0.03 0.00 -0.71 0.00 0.00 39.64 37.49 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 -6.96 6.61 0.17 4.38 2.15 -0.19 -4.83 116.67 118.00 1s6j s ASP 33 Ca -0.25 2.31 0.15 0.00 0.43 0.00 0.00 52.55 55.18 1s6j s ASP 33 Cb 0.07 -2.53 0.72 0.00 -0.30 0.00 0.00 42.92 40.88 1s6j s ASP 33 CO 0.72 -0.97 1.46 0.41 -0.17 0.00 0.00 175.17 176.62 1s6j n THR 34 N 5.53 1.26 0.20 1.71 -1.04 -1.26 -1.03 114.28 119.64 1s6j n THR 34 Ca 0.18 0.49 0.08 0.00 -2.04 0.00 0.00 64.05 62.76 1s6j n THR 34 Cb 0.42 -1.43 -0.12 0.00 -1.82 0.00 0.00 70.33 67.38 1s6j n THR 34 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1s6j n ASP 35 N -1.92 1.06 -0.86 8.00 8.00 -1.26 -4.95 116.55 124.62 1s6j n ASP 35 Ca 0.00 -0.24 -0.08 0.00 0.71 0.00 0.00 54.79 55.18 1s6j n ASP 35 Cb 0.09 1.56 -0.04 0.00 -0.02 0.00 0.00 41.12 42.71 1s6j n ASP 35 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1s6j n ASN 36 N -1.89 -3.58 0.23 -2.24 2.85 -0.20 -4.72 115.26 105.71 1s6j n ASN 36 Ca -0.01 0.20 0.12 0.00 -0.11 0.00 0.00 54.58 54.78 1s6j n ASN 36 Cb 0.39 -2.92 0.35 0.00 1.24 0.00 0.00 39.78 38.84 1s6j n ASN 36 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1s6j h SER 37 N 0.00 0.00 0.00 1.20 4.64 -1.90 -3.47 113.55 114.03 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 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1s6j h SER 37 CO 0.25 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 1s6j n GLY 38 N 0.67 1.24 3.36 -0.77 0.00 -1.26 -5.09 105.19 103.33 1s6j n GLY 38 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.02 -0.18 2.61 -4.23 -1.26 -4.95 115.64 105.61 1s6j s THR 39 Ca 0.00 0.06 -0.07 0.00 -1.18 0.00 0.00 61.69 60.49 1s6j s THR 39 Cb 0.00 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 73.11 1s6j s THR 39 CO 0.00 0.02 0.07 -0.63 -0.54 0.00 0.00 174.62 173.54 1s6j s ILE 40 N 1.23 4.85 0.05 2.99 1.01 -1.03 -4.84 121.20 125.46 1s6j s ILE 40 Ca -0.08 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.61 1s6j s ILE 40 Cb -0.07 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1s6j s ILE 40 CO -0.12 0.47 -0.08 0.42 0.00 0.00 0.00 174.94 175.64 1s6j s THR 41 N 0.26 3.54 0.30 2.92 -4.23 -1.26 0.38 115.64 117.55 1s6j s THR 41 Ca 0.04 -0.98 0.11 0.00 -1.18 0.00 0.00 61.69 59.69 1s6j s THR 41 Cb -0.12 -2.59 0.33 0.00 1.34 0.00 0.00 72.50 71.46 1s6j s THR 41 CO 0.00 0.27 1.37 0.33 -0.54 0.00 0.00 174.62 176.06 1s6j n PHE 42 N 1.19 0.83 -0.23 3.99 7.35 -1.15 0.49 117.46 129.92 1s6j n PHE 42 Ca -0.14 1.04 0.03 0.00 -0.76 0.00 0.00 57.45 57.61 1s6j n PHE 42 Cb 0.52 -1.32 0.12 0.00 0.35 0.00 0.00 39.48 39.16 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 -0.29 0.62 -2.13 3.58 -1.95 -1.50 116.42 114.75 1s6j h ASP 43 Ca 0.65 0.17 -0.24 0.00 0.42 0.00 0.00 57.03 58.03 1s6j h ASP 43 Cb 1.60 0.30 -0.04 0.00 1.72 0.00 0.00 39.33 42.90 1s6j h ASP 43 CO -0.73 -0.14 -1.53 1.05 -2.88 0.00 0.00 179.24 175.01 1s6j h GLU 44 N 0.12 0.00 -0.79 0.28 4.11 -0.37 -3.39 114.58 114.54 1s6j h GLU 44 Ca 0.36 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.91 1s6j h GLU 44 Cb 0.60 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.72 1s6j h GLU 44 CO -0.58 0.45 -0.39 1.25 0.07 0.00 0.00 179.01 179.80 1s6j h LEU 45 N 0.00 -1.40 -0.13 3.06 5.85 0.56 -1.18 115.31 122.08 1s6j h LEU 45 Ca -0.22 0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1s6j h LEU 45 Cb 1.83 0.69 -0.07 0.00 0.37 0.00 0.00 40.66 43.49 1s6j h LEU 45 CO 0.07 -0.30 -0.45 0.07 -0.34 0.00 0.00 178.44 177.49 1s6j h LYS 46 N -0.09 -0.50 0.00 1.25 2.10 -1.70 0.11 116.57 117.74 1s6j h LYS 46 Ca 0.27 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 1s6j h LYS 46 Cb 0.57 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1s6j h LYS 46 CO -0.83 -0.33 0.18 0.22 -2.00 0.00 0.00 179.45 176.69 1s6j h ASP 47 N -0.52 0.00 0.12 7.07 3.58 -1.46 0.86 116.42 126.07 1s6j h ASP 47 Ca 0.07 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1s6j h ASP 47 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1s6j h ASP 47 CO -0.41 0.00 -0.06 1.23 -2.88 0.00 0.00 179.24 177.12 1s6j h GLY 48 N 0.00 -0.17 0.93 -0.78 0.00 -0.04 -1.47 103.07 101.54 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 -0.69 -0.10 0.00 0.00 0.00 176.54 175.69 1s6j n LEU 49 N -4.96 0.61 0.12 3.11 7.94 -0.62 -3.77 117.00 119.43 1s6j n LEU 49 Ca -0.09 0.06 -0.01 0.00 -1.11 0.00 0.00 56.01 54.87 1s6j n LEU 49 Cb 0.25 -0.18 0.03 0.00 0.53 0.00 0.00 43.42 44.04 1s6j n LEU 49 CO 0.31 0.05 0.38 0.50 -1.11 0.00 0.00 177.39 177.52 1s6j h LYS 50 N 0.00 0.00 -1.51 1.96 3.11 0.71 -3.27 116.57 117.58 1s6j h LYS 50 Ca 0.00 0.00 0.44 0.00 -2.81 0.00 0.00 60.65 58.28 1s6j h LYS 50 Cb 0.64 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.81 1s6j h LYS 50 CO 0.00 0.68 1.08 -0.09 -2.81 0.00 0.00 179.45 178.31 1s6j h ARG 51 N 0.00 0.01 0.01 1.90 9.65 -1.35 0.87 114.38 125.47 1s6j h ARG 51 Ca -0.01 -0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.68 1s6j h ARG 51 Cb 1.43 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.99 1s6j h ARG 51 CO 0.09 0.01 -0.88 -0.39 2.80 0.00 0.00 179.97 181.60 1s6j h VAL 52 N 0.02 1.54 -5.32 0.20 -1.51 -1.83 -3.48 116.25 105.86 1s6j h VAL 52 Ca 0.73 -2.74 -0.31 0.00 -1.23 0.00 0.00 66.70 63.15 1s6j h VAL 52 Cb 2.87 2.52 0.15 0.00 -2.13 0.00 0.00 31.29 34.70 1s6j h VAL 52 CO -0.04 0.79 -0.69 0.61 -1.23 0.00 0.00 177.57 177.02 1s6j n GLY 53 N 0.91 -0.30 0.00 5.19 0.00 0.30 -5.01 105.19 106.28 1s6j n GLY 53 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.89 0.00 -2.80 1.61 2.88 -1.26 -4.96 113.62 106.20 1s6j n SER 54 Ca -0.23 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.29 1s6j n SER 54 Cb 0.64 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.15 1s6j n SER 54 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1s6j n GLU 55 N 0.00 1.61 -1.47 -1.46 1.02 -1.26 -5.12 120.64 113.96 1s6j n GLU 55 Ca 0.00 -3.36 -0.32 0.00 -0.02 0.00 0.00 57.16 53.47 1s6j n GLU 55 Cb 0.00 -1.45 0.07 0.00 -0.02 0.00 0.00 31.44 30.04 1s6j n GLU 55 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s6j s LEU 56 N -3.70 3.19 -0.11 -4.62 1.02 -1.26 -5.05 118.68 108.15 1s6j s LEU 56 Ca 0.26 1.91 0.01 0.00 0.02 0.00 0.00 54.13 56.34 1s6j s LEU 56 Cb 0.35 -4.54 0.02 0.00 0.02 0.00 0.00 46.19 42.04 1s6j s LEU 56 CO -0.03 -1.88 -0.13 0.00 0.02 0.00 0.00 176.35 174.33 1s6j s MET 57 N -4.53 2.03 0.00 1.70 0.23 -1.26 -4.99 119.30 112.49 1s6j s MET 57 Ca 0.64 -0.49 0.00 0.00 -1.03 0.00 0.00 55.69 54.81 1s6j s MET 57 Cb -0.19 -1.79 0.00 0.00 -1.53 0.00 0.00 34.83 31.32 1s6j s MET 57 CO 0.49 -0.11 0.83 0.39 -2.03 0.00 0.00 175.02 174.59 1s6j n GLU 58 N 4.34 0.00 0.09 3.16 4.71 -1.26 -0.75 120.64 130.93 1s6j n GLU 58 Ca -0.18 0.33 -0.24 0.00 -0.01 0.00 0.00 57.16 57.06 1s6j n GLU 58 Cb 0.51 -1.65 -0.15 0.00 -1.01 0.00 0.00 31.44 29.14 1s6j n GLU 58 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1s6j h SER 59 N 0.00 0.68 1.81 1.62 0.02 -2.01 -3.30 113.55 112.37 1s6j h SER 59 Ca 0.00 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 1s6j h SER 59 Cb 0.30 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1s6j h SER 59 CO 0.00 1.78 0.00 -0.08 -1.14 0.00 0.00 176.83 177.39 1s6j h GLU 60 N 0.12 0.00 -0.42 3.45 4.57 -1.36 -2.67 114.58 118.27 1s6j h GLU 60 Ca -0.33 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 57.71 1s6j h GLU 60 Cb 2.12 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.70 1s6j h GLU 60 CO 0.20 0.00 -0.29 0.82 -1.18 0.00 0.00 179.01 178.56 1s6j h ILE 61 N 0.00 1.27 0.05 2.32 2.04 -1.60 0.22 117.51 121.81 1s6j h ILE 61 Ca 0.00 -1.46 -0.25 0.00 1.00 0.00 0.00 64.86 64.15 1s6j h ILE 61 Cb 0.91 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1s6j h ILE 61 CO 0.00 0.49 -1.19 0.07 0.00 0.00 0.00 178.15 177.52 1s6j h LYS 62 N 0.77 0.10 0.00 2.37 5.09 -1.63 -2.02 116.57 121.25 1s6j h LYS 62 Ca 0.08 -0.17 -0.14 0.00 0.09 0.00 0.00 60.65 60.51 1s6j h LYS 62 Cb 0.88 0.06 -0.02 0.00 0.10 0.00 0.00 32.23 33.25 1s6j h LYS 62 CO 0.08 1.03 -0.68 0.22 -2.09 0.00 0.00 179.45 178.01 1s6j h ASP 63 N 0.03 0.00 0.52 7.07 1.82 -1.42 -2.45 116.42 121.98 1s6j h ASP 63 Ca -0.09 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.25 1s6j h ASP 63 Cb 1.87 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.89 1s6j h ASP 63 CO 0.15 0.68 -1.36 0.17 -1.61 0.00 0.00 179.24 177.27 1s6j h LEU 64 N 0.00 0.51 -0.08 2.28 8.10 -0.60 -2.39 115.31 123.13 1s6j h LEU 64 Ca -0.01 -0.57 -0.00 0.00 0.11 0.00 0.00 57.88 57.41 1s6j h LEU 64 Cb 1.22 -0.17 -0.00 0.00 -0.44 0.00 0.00 40.66 41.27 1s6j h LEU 64 CO 0.09 1.45 0.04 -0.03 -4.11 0.00 0.00 178.44 175.89 1s6j h MET 65 N 0.09 0.11 -0.05 0.17 4.05 -1.31 -2.82 114.93 115.17 1s6j h MET 65 Ca -0.18 -0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.09 1s6j h MET 65 Cb 2.02 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.79 1s6j h MET 65 CO 0.21 0.14 -0.57 0.22 0.23 0.00 0.00 176.91 177.14 1s6j h ASP 66 N 0.04 0.18 -0.01 1.39 1.82 -1.55 -0.58 116.42 117.72 1s6j h ASP 66 Ca 0.03 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1s6j h ASP 66 Cb 0.07 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.02 1s6j h ASP 66 CO -0.00 0.72 0.05 0.00 -1.61 0.00 0.00 179.24 178.39 1s6j h ALA 67 N 1.29 1.18 0.00 -0.78 0.00 -1.17 -3.31 119.26 116.47 1s6j h ALA 67 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s6j h ALA 67 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1s6j h ALA 67 CO 0.08 -0.06 -0.39 0.00 0.00 0.00 0.00 179.25 178.89 1s6j n ALA 68 N -2.12 2.20 -1.54 0.00 0.00 -1.12 -4.81 120.51 113.12 1s6j n ALA 68 Ca -0.03 -0.31 -0.34 0.00 0.00 0.00 0.00 53.44 52.76 1s6j n ALA 68 Cb 0.12 0.17 -0.07 0.00 0.00 0.00 0.00 19.45 19.67 1s6j n ALA 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s6j n ASP 69 N -3.86 1.63 0.09 0.00 2.03 -0.24 -4.54 116.55 111.66 1s6j n ASP 69 Ca -0.05 -0.45 0.02 0.00 0.52 0.00 0.00 54.79 54.82 1s6j n ASP 69 Cb 0.20 -1.39 -0.02 0.00 -0.72 0.00 0.00 41.12 39.18 1s6j n ASP 69 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1s6j h ILE 70 N 7.75 0.68 0.00 5.18 2.10 -1.88 -3.24 117.51 128.10 1s6j h ILE 70 Ca -0.16 -2.08 0.00 0.00 1.08 0.00 0.00 64.86 63.70 1s6j h ILE 70 Cb 1.25 2.22 0.00 0.00 -1.09 0.00 0.00 36.82 39.20 1s6j h ILE 70 CO 1.22 0.38 0.00 -0.67 -1.08 0.00 0.00 178.15 178.00 1s6j n ASP 71 N -3.06 0.00 -2.54 2.19 2.03 -1.26 -4.83 116.55 109.08 1s6j n ASP 71 Ca -0.03 0.28 -0.11 0.00 0.52 0.00 0.00 54.79 55.45 1s6j n ASP 71 Cb 0.77 -0.38 -0.02 0.00 -0.72 0.00 0.00 41.12 40.77 1s6j n ASP 71 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1s6j n LYS 72 N -1.38 -1.89 0.00 -0.67 -0.00 -1.22 -4.69 118.16 108.30 1s6j n LYS 72 Ca 0.05 0.03 0.13 0.00 -0.00 0.00 0.00 58.31 58.52 1s6j n LYS 72 Cb 0.13 -3.31 0.32 0.00 -0.00 0.00 0.00 35.03 32.17 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 -1.25 0.88 0.00 -5.58 3.41 -1.26 -4.92 113.62 104.90 1s6j n SER 73 Ca 0.03 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 1s6j n SER 73 Cb 0.35 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 1.39 2.99 3.78 5.00 0.00 -1.26 -5.06 105.19 112.04 1s6j n GLY 74 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1s6j n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1s6j s THR 75 N -2.63 1.71 -0.15 2.61 -1.32 -1.26 -2.96 115.64 111.63 1s6j s THR 75 Ca 0.00 -1.77 -0.22 0.00 -1.21 0.00 0.00 61.69 58.49 1s6j s THR 75 Cb 0.00 -2.48 0.06 0.00 -1.51 0.00 0.00 72.50 68.57 1s6j s THR 75 CO 0.00 0.00 0.57 -0.51 -2.21 0.00 0.00 174.62 172.47 1s6j s ILE 76 N -2.75 0.01 0.36 5.08 2.07 0.16 -4.75 121.20 121.38 1s6j s ILE 76 Ca 0.27 -0.06 0.05 0.00 -1.41 0.00 0.00 60.65 59.49 1s6j s ILE 76 Cb 0.02 -0.83 -0.07 0.00 0.13 0.00 0.00 42.46 41.71 1s6j s ILE 76 CO 0.15 -0.03 0.04 -1.81 -1.91 0.00 0.00 174.94 171.38 1s6j s ASP 77 N -0.23 2.92 0.41 4.50 1.01 -1.26 -2.46 116.67 121.56 1s6j s ASP 77 Ca -0.04 -1.38 0.18 0.00 0.71 0.00 0.00 52.55 52.01 1s6j s ASP 77 Cb -0.03 -0.18 1.08 0.00 1.01 0.00 0.00 42.92 44.80 1s6j s ASP 77 CO 0.03 -0.56 1.84 1.88 0.21 0.00 0.00 175.17 178.57 1s6j h TYR 78 N 1.98 0.57 -0.33 4.23 -1.99 -1.93 0.14 116.97 119.64 1s6j h TYR 78 Ca -0.42 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.34 1s6j h TYR 78 Cb 1.24 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 39.78 1s6j h TYR 78 CO 0.65 0.13 0.22 0.78 -0.00 0.00 0.00 178.16 179.95 1s6j h GLY 79 N 0.41 0.43 0.00 3.88 0.00 -1.89 -1.72 103.07 104.18 1s6j h GLY 79 Ca 0.50 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 1s6j h GLY 79 CO -0.20 0.15 -0.47 0.83 0.00 0.00 0.00 176.54 176.85 1s6j h GLU 80 N 0.40 0.00 -0.94 4.80 5.08 -1.09 -3.04 114.58 119.79 1s6j h GLU 80 Ca 0.13 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.77 1s6j h GLU 80 Cb 0.03 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.12 1s6j h GLU 80 CO -0.03 0.08 0.28 0.35 -1.00 0.00 0.00 179.01 178.69 1s6j h PHE 81 N -1.00 0.42 0.02 4.33 3.57 -1.24 0.41 116.94 123.45 1s6j h PHE 81 Ca -0.02 0.05 -0.22 0.00 3.53 0.00 0.00 57.97 61.31 1s6j h PHE 81 Cb 0.48 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1s6j h PHE 81 CO -0.16 -0.30 -1.01 0.82 -2.23 0.00 0.00 178.31 175.44 1s6j h ILE 82 N 0.15 1.64 -0.17 1.41 1.08 -1.50 -3.25 117.51 116.87 1s6j h ILE 82 Ca 0.63 -3.21 0.04 0.00 -0.39 0.00 0.00 64.86 61.94 1s6j h ILE 82 Cb 1.39 2.79 -0.05 0.00 -3.07 0.00 0.00 36.82 37.89 1s6j h ILE 82 CO -0.73 0.92 -0.11 0.00 -0.69 0.00 0.00 178.15 177.55 1s6j h ALA 83 N 0.95 0.03 -3.00 1.87 0.00 -0.07 -3.29 119.26 115.74 1s6j h ALA 83 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1s6j h ALA 83 Cb 1.74 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1s6j h ALA 83 CO 0.14 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.84 1s6j n ALA 84 N -2.51 0.00 -2.02 0.00 0.00 -0.91 -4.59 120.51 110.48 1s6j n ALA 84 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.02 1s6j n ALA 84 Cb 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 1s6j n ALA 84 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1s6j s THR 85 N -0.52 4.38 -0.38 0.00 -4.23 -1.23 -4.46 115.64 109.20 1s6j s THR 85 Ca 0.00 1.79 -0.16 0.00 -1.18 0.00 0.00 61.69 62.14 1s6j s THR 85 Cb 0.00 -4.18 0.02 0.00 1.34 0.00 0.00 72.50 69.68 1s6j s THR 85 CO 0.00 0.48 0.45 0.52 -0.54 0.00 0.00 174.62 175.53 1s6j n VAL 86 N 1.84 -9.23 1.00 2.29 0.31 -1.26 -4.35 118.33 108.92 1s6j n VAL 86 Ca -0.04 0.90 0.12 0.00 -0.01 0.00 0.00 64.34 65.31 1s6j n VAL 86 Cb 0.49 -6.18 0.10 0.00 -0.91 0.00 0.00 33.84 27.34 1s6j n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51