#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 5.73 0.00 4.39 0.01 -1.26 -4.99 113.70 117.58 1s6j s SER 2 Ca 0.00 0.46 0.29 0.00 1.31 0.00 0.00 55.95 58.01 1s6j s SER 2 Cb 0.00 -1.59 1.23 0.00 0.21 0.00 0.00 66.02 65.87 1s6j s SER 2 CO 0.00 -0.86 1.85 -1.20 0.41 0.00 0.00 173.24 173.44 1s6j n SER 3 N -2.29 0.89 0.00 2.44 7.64 -1.26 -4.88 113.62 116.16 1s6j n SER 3 Ca 0.03 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.81 1s6j n SER 3 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1s6j n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s6j n GLY 4 N 1.18 0.69 0.56 0.23 0.00 -1.26 -4.96 105.19 101.63 1s6j n GLY 4 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.16 0.00 -2.37 1.61 -0.00 -1.26 -4.87 115.22 107.18 1s6j n HIS 5 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.36 1s6j n HIS 5 Cb 0.00 -0.24 -0.04 0.00 -0.00 0.00 0.00 29.99 29.71 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 -2.38 3.75 0.00 1.59 -1.09 -1.26 -4.49 121.20 117.32 1s6j s ILE 6 Ca -0.14 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 1s6j s ILE 6 Cb 0.02 -4.68 0.00 0.00 -1.58 0.00 0.00 42.46 36.22 1s6j s ILE 6 CO 0.21 -1.57 0.00 0.47 -1.23 0.00 0.00 174.94 172.82 1s6j n ASP 7 N 10.81 0.00 0.00 3.58 9.92 -1.26 -4.77 116.55 134.83 1s6j n ASP 7 Ca 0.37 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.63 1s6j n ASP 7 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1s6j n ASP 7 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1s6j n ASP 8 N -2.33 0.00 -0.22 -2.24 8.00 -1.26 -5.06 116.55 113.44 1s6j n ASP 8 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.50 1s6j n ASP 8 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1s6j n ASP 8 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1s6j n ASP 9 N 0.00 -0.01 -0.03 -2.24 5.75 -1.26 -4.97 116.55 113.79 1s6j n ASP 9 Ca 0.00 -0.42 -0.02 0.00 -0.01 0.00 0.00 54.79 54.34 1s6j n ASP 9 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.96 1s6j n ASP 9 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1s6j n ASP 10 N 0.00 0.35 0.12 -1.12 9.92 -1.26 -4.01 116.55 120.55 1s6j n ASP 10 Ca -0.00 0.16 0.12 0.00 -0.53 0.00 0.00 54.79 54.53 1s6j n ASP 10 Cb 0.21 0.85 0.08 0.00 -0.64 0.00 0.00 41.12 41.62 1s6j n ASP 10 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1s6j h LYS 11 N 0.00 0.00 0.00 -1.24 1.79 -1.93 -3.29 116.57 111.90 1s6j h LYS 11 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1s6j h LYS 11 Cb 1.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.39 1s6j h LYS 11 CO 0.03 0.00 -0.26 1.25 -1.08 0.00 0.00 179.45 179.40 1s6j h HIS 12 N 0.00 0.00 -0.11 -1.35 2.76 -1.88 -3.29 115.15 111.29 1s6j h HIS 12 Ca 0.00 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1s6j h HIS 12 Cb 0.95 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.91 1s6j h HIS 12 CO 0.00 0.00 0.09 0.52 -1.30 0.00 0.00 177.93 177.24 1s6j h MET 13 N 0.00 0.00 0.00 5.26 2.86 -1.69 0.64 114.93 121.99 1s6j h MET 13 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1s6j h MET 13 Cb 0.78 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 1s6j h MET 13 CO 0.00 0.00 -0.06 0.00 1.06 0.00 0.00 176.91 177.91 1s6j h ALA 14 N 1.92 1.03 0.00 6.32 0.00 -1.80 -2.44 119.26 124.29 1s6j h ALA 14 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1s6j h ALA 14 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1s6j h ALA 14 CO -0.00 0.07 -0.70 0.93 0.00 0.00 0.00 179.25 179.55 1s6j h GLU 15 N 0.00 0.00 0.00 0.00 4.39 -1.10 -3.44 114.58 114.43 1s6j h GLU 15 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s6j h GLU 15 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1s6j h GLU 15 CO 0.01 0.13 0.00 0.54 -1.16 0.00 0.00 179.01 178.53 1s6j n ARG 16 N -2.93 0.00 -2.03 2.33 1.74 -0.92 -4.94 116.66 109.92 1s6j n ARG 16 Ca -0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1s6j n ARG 16 Cb 0.62 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.07 1s6j n ARG 16 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1s6j s LEU 17 N 0.00 3.45 -1.12 0.55 0.05 -1.25 -4.94 118.68 115.41 1s6j s LEU 17 Ca 0.00 1.71 -0.21 0.00 0.05 0.00 0.00 54.13 55.68 1s6j s LEU 17 Cb 0.00 -4.52 0.04 0.00 -2.05 0.00 0.00 46.19 39.66 1s6j s LEU 17 CO 0.00 -1.07 1.61 -0.94 -0.55 0.00 0.00 176.35 175.40 1s6j s SER 18 N -3.09 6.45 0.05 1.48 1.04 -1.26 -4.73 113.70 113.64 1s6j s SER 18 Ca 0.61 -1.76 0.28 0.00 0.48 0.00 0.00 55.95 55.56 1s6j s SER 18 Cb -0.14 -2.57 1.10 0.00 0.10 0.00 0.00 66.02 64.50 1s6j s SER 18 CO 0.40 -1.56 1.86 -1.84 0.98 0.00 0.00 173.24 173.08 1s6j n GLU 19 N 8.68 0.06 0.26 4.02 0.28 -1.26 -2.95 120.64 129.73 1s6j n GLU 19 Ca 0.40 0.05 0.18 0.00 -0.16 0.00 0.00 57.16 57.62 1s6j n GLU 19 Cb 0.49 -1.57 0.86 0.00 1.43 0.00 0.00 31.44 32.65 1s6j n GLU 19 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1s6j h GLU 20 N 0.00 0.00 0.00 3.44 4.11 -1.94 -3.41 114.58 116.78 1s6j h GLU 20 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 1s6j h GLU 20 Cb 0.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1s6j h GLU 20 CO 0.00 0.00 -0.08 -0.85 0.07 0.00 0.00 179.01 178.15 1s6j n GLU 21 N -2.80 0.19 0.11 1.06 0.28 -1.21 -4.44 120.64 113.83 1s6j n GLU 21 Ca -0.01 -0.93 0.07 0.00 -0.16 0.00 0.00 57.16 56.13 1s6j n GLU 21 Cb 0.14 0.84 0.35 0.00 1.43 0.00 0.00 31.44 34.20 1s6j n GLU 21 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1s6j n ILE 22 N -0.19 1.13 -0.58 3.84 -5.35 -1.26 -3.28 119.36 113.67 1s6j n ILE 22 Ca 0.01 0.67 0.45 0.00 -0.27 0.00 0.00 62.75 63.61 1s6j n ILE 22 Cb 0.18 -1.67 0.72 0.00 -1.74 0.00 0.00 39.64 37.14 1s6j n ILE 22 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s6j n GLY 23 N -1.33 -0.87 0.04 3.28 0.00 -1.24 0.45 105.19 105.51 1s6j n GLY 23 Ca -0.01 0.67 -0.03 0.00 0.00 0.00 0.00 46.02 46.65 1s6j n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s6j n GLY 24 N -1.72 -0.61 0.00 -0.02 0.00 -1.15 -4.51 105.19 97.18 1s6j n GLY 24 Ca 0.40 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.36 0.00 -0.66 0.99 7.94 -1.13 -3.84 117.00 116.94 1s6j n LEU 25 Ca -0.05 0.35 0.50 0.00 -1.11 0.00 0.00 56.01 55.70 1s6j n LEU 25 Cb 0.19 -0.35 0.77 0.00 0.53 0.00 0.00 43.42 44.56 1s6j n LEU 25 CO 0.07 -0.19 1.41 2.29 -1.11 0.00 0.00 177.39 179.86 1s6j n LYS 26 N -1.35 0.00 0.32 1.96 2.85 0.17 0.10 118.16 122.22 1s6j n LYS 26 Ca 0.05 1.03 -0.17 0.00 -1.05 0.00 0.00 58.31 58.17 1s6j n LYS 26 Cb 0.12 -2.39 -0.09 0.00 -0.65 0.00 0.00 35.03 32.03 1s6j n LYS 26 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1s6j h GLU 27 N 0.00 -0.75 0.00 -1.58 4.39 -1.83 -3.12 114.58 111.69 1s6j h GLU 27 Ca 0.88 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 60.58 1s6j h GLU 27 Cb 3.59 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 32.40 1s6j h GLU 27 CO -0.01 -0.49 -0.65 -0.07 -1.16 0.00 0.00 179.01 176.63 1s6j h LEU 28 N -0.80 0.00 -0.98 1.33 4.07 -0.66 -3.35 115.31 114.92 1s6j h LEU 28 Ca -0.08 -0.12 0.39 0.00 0.08 0.00 0.00 57.88 58.15 1s6j h LEU 28 Cb 0.61 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 42.17 1s6j h LEU 28 CO 0.13 0.91 0.44 0.33 -1.08 0.00 0.00 178.44 179.16 1s6j n PHE 29 N -4.58 1.05 -0.09 1.13 7.35 0.17 0.47 117.46 122.96 1s6j n PHE 29 Ca -0.12 1.16 -0.13 0.00 -0.76 0.00 0.00 57.45 57.59 1s6j n PHE 29 Cb 0.35 -1.50 -0.05 0.00 0.35 0.00 0.00 39.48 38.63 1s6j n PHE 29 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 1s6j h LYS 30 N 0.00 0.65 0.00 -4.13 2.10 -1.71 -0.86 116.57 112.62 1s6j h LYS 30 Ca 0.79 -0.35 -0.01 0.00 -2.00 0.00 0.00 60.65 59.08 1s6j h LYS 30 Cb 2.03 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 33.37 1s6j h LYS 30 CO -0.78 0.95 -0.05 1.98 -2.00 0.00 0.00 179.45 179.55 1s6j h MET 31 N 0.37 0.00 0.00 0.07 4.05 -0.11 -2.66 114.93 116.65 1s6j h MET 31 Ca 0.04 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.27 1s6j h MET 31 Cb 0.84 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.61 1s6j h MET 31 CO 0.07 0.05 -1.68 1.51 0.23 0.00 0.00 176.91 177.08 1s6j n ILE 32 N -3.20 1.09 -2.24 1.77 0.13 -0.12 -4.85 119.36 111.94 1s6j n ILE 32 Ca -0.00 -0.70 -0.43 0.00 -1.10 0.00 0.00 62.75 60.52 1s6j n ILE 32 Cb 0.28 -0.60 -0.02 0.00 -0.84 0.00 0.00 39.64 38.45 1s6j n ILE 32 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1s6j s ASP 33 N -5.57 6.71 0.35 9.51 2.15 -0.34 -4.86 116.67 124.62 1s6j s ASP 33 Ca -0.05 1.77 0.21 0.00 0.43 0.00 0.00 52.55 54.91 1s6j s ASP 33 Cb 0.09 -2.54 1.13 0.00 -0.30 0.00 0.00 42.92 41.30 1s6j s ASP 33 CO 0.83 -0.95 1.61 0.74 -0.17 0.00 0.00 175.17 177.23 1s6j h THR 34 N 5.71 0.00 0.00 1.71 2.02 -1.84 0.11 112.91 120.62 1s6j h THR 34 Ca -0.31 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.79 1s6j h THR 34 Cb 1.13 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1s6j h THR 34 CO 0.98 0.00 -1.86 -0.67 0.37 0.00 0.00 175.52 174.34 1s6j n ASP 35 N -2.26 1.12 -0.88 4.18 2.03 -1.26 -4.96 116.55 114.52 1s6j n ASP 35 Ca -0.01 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.20 1s6j n ASP 35 Cb 0.12 1.54 -0.04 0.00 -0.72 0.00 0.00 41.12 42.02 1s6j n ASP 35 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1s6j n ASN 36 N -2.22 -4.49 0.15 1.67 5.15 0.38 -4.75 115.26 111.16 1s6j n ASN 36 Ca -0.09 0.24 0.12 0.00 -0.60 0.00 0.00 54.58 54.25 1s6j n ASN 36 Cb 0.59 -3.50 0.16 0.00 -0.53 0.00 0.00 39.78 36.51 1s6j n ASN 36 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1s6j h SER 37 N 0.00 0.00 0.00 1.20 4.64 -1.86 -3.47 113.55 114.05 1s6j h SER 37 Ca -0.20 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1s6j h SER 37 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1s6j h SER 37 CO 0.29 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 1s6j n GLY 38 N 1.18 1.29 3.07 -0.77 0.00 -1.26 -5.10 105.19 103.60 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 -0.16 2.61 -4.23 -1.26 -4.70 115.64 105.86 1s6j s THR 39 Ca 0.00 0.12 -0.06 0.00 -1.18 0.00 0.00 61.69 60.57 1s6j s THR 39 Cb 0.00 -0.38 -0.04 0.00 1.34 0.00 0.00 72.50 73.43 1s6j s THR 39 CO 0.00 0.05 0.04 -0.63 -0.54 0.00 0.00 174.62 173.54 1s6j s ILE 40 N 1.04 4.60 0.29 2.99 1.01 -1.09 -4.74 121.20 125.31 1s6j s ILE 40 Ca -0.08 -0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.55 1s6j s ILE 40 Cb -0.09 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1s6j s ILE 40 CO -0.07 0.49 0.07 0.42 0.00 0.00 0.00 174.94 175.86 1s6j s THR 41 N 0.14 3.40 0.30 2.92 -4.23 -1.26 0.17 115.64 117.07 1s6j s THR 41 Ca 0.03 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 1s6j s THR 41 Cb -0.13 -2.95 0.13 0.00 1.34 0.00 0.00 72.50 70.89 1s6j s THR 41 CO 0.01 -0.30 1.81 0.15 -0.54 0.00 0.00 174.62 175.75 1s6j h PHE 42 N 1.72 0.67 -0.49 3.99 3.57 -1.97 1.53 116.94 125.96 1s6j h PHE 42 Ca -0.44 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 60.99 1s6j h PHE 42 Cb 1.25 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 1s6j h PHE 42 CO 0.65 0.66 0.29 -0.44 -2.23 0.00 0.00 178.31 177.24 1s6j h ASP 43 N 0.59 0.47 0.91 0.41 5.19 -1.96 -2.23 116.42 119.81 1s6j h ASP 43 Ca 0.12 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1s6j h ASP 43 Cb 0.42 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1s6j h ASP 43 CO 0.02 0.33 -0.86 1.05 -3.12 0.00 0.00 179.24 176.66 1s6j h GLU 44 N 0.58 0.00 0.34 3.56 4.11 -1.89 -3.38 114.58 117.89 1s6j h GLU 44 Ca 0.20 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.61 1s6j h GLU 44 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1s6j h GLU 44 CO -0.09 0.00 -0.16 1.25 0.07 0.00 0.00 179.01 180.08 1s6j h LEU 45 N 0.00 -0.38 -0.48 3.06 5.85 0.28 -3.19 115.31 120.45 1s6j h LEU 45 Ca 0.00 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.78 1s6j h LEU 45 Cb 0.89 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 1s6j h LEU 45 CO 0.00 -0.21 -0.26 0.07 -0.34 0.00 0.00 178.44 177.70 1s6j h LYS 46 N -0.52 -0.15 0.00 1.25 2.10 -1.63 0.14 116.57 117.76 1s6j h LYS 46 Ca -0.05 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1s6j h LYS 46 Cb 0.39 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1s6j h LYS 46 CO 0.08 -0.10 0.41 0.22 -2.00 0.00 0.00 179.45 178.06 1s6j h ASP 47 N -0.15 0.00 0.14 7.07 3.58 -1.76 0.71 116.42 126.01 1s6j h ASP 47 Ca 0.22 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 1s6j h ASP 47 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1s6j h ASP 47 CO -0.57 0.00 -0.07 1.23 -2.88 0.00 0.00 179.24 176.96 1s6j h GLY 48 N 0.00 -0.20 1.03 -0.78 0.00 -0.79 -1.86 103.07 100.47 1s6j h GLY 48 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1s6j h GLY 48 CO 0.00 -0.07 -0.70 1.04 0.00 0.00 0.00 176.54 176.81 1s6j n LEU 49 N -4.89 0.66 0.10 3.11 7.99 -0.49 -3.79 117.00 119.70 1s6j n LEU 49 Ca -0.07 0.16 0.05 0.00 -0.01 0.00 0.00 56.01 56.14 1s6j n LEU 49 Cb 0.26 -0.17 -0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1s6j n LEU 49 CO 0.23 -0.02 0.12 0.50 -1.51 0.00 0.00 177.39 176.71 1s6j h LYS 50 N 0.00 0.00 -1.39 3.23 3.64 0.26 -3.30 116.57 119.01 1s6j h LYS 50 Ca 0.00 0.00 0.41 0.00 -1.27 0.00 0.00 60.65 59.79 1s6j h LYS 50 Cb 0.72 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.46 1s6j h LYS 50 CO 0.00 0.22 0.96 -0.09 -2.27 0.00 0.00 179.45 178.28 1s6j h ARG 51 N 0.00 0.08 0.00 1.90 2.43 -1.43 0.67 114.38 118.04 1s6j h ARG 51 Ca -0.06 -0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.76 1s6j h ARG 51 Cb 1.30 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.77 1s6j h ARG 51 CO 0.03 0.05 -2.32 1.33 -1.51 0.00 0.00 179.97 177.56 1s6j n VAL 52 N -4.32 1.32 -3.83 0.20 0.24 -1.26 -5.02 118.33 105.66 1s6j n VAL 52 Ca 0.33 -0.77 -0.24 0.00 -2.04 0.00 0.00 64.34 61.62 1s6j n VAL 52 Cb 1.42 -0.62 0.01 0.00 -1.47 0.00 0.00 33.84 33.18 1s6j n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s6j n GLY 53 N 1.90 -0.30 0.00 7.63 0.00 0.23 -4.96 105.19 109.69 1s6j n GLY 53 Ca -0.33 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1s6j n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s6j n SER 54 N -2.99 0.00 0.00 1.61 7.64 -1.26 -4.81 113.62 113.81 1s6j n SER 54 Ca -0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1s6j n SER 54 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1s6j n SER 54 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1s6j n GLU 55 N 0.00 -0.14 -3.15 1.43 2.13 -1.26 -5.04 120.64 114.60 1s6j n GLU 55 Ca 0.00 -0.62 -0.37 0.00 0.66 0.00 0.00 57.16 56.83 1s6j n GLU 55 Cb 0.00 -0.93 -0.06 0.00 0.27 0.00 0.00 31.44 30.72 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 -0.18 4.46 0.12 4.31 0.05 -1.26 -5.07 118.68 121.10 1s6j s LEU 56 Ca 0.00 1.39 0.04 0.00 0.05 0.00 0.00 54.13 55.61 1s6j s LEU 56 Cb 0.00 -3.28 -0.04 0.00 -2.05 0.00 0.00 46.19 40.82 1s6j s LEU 56 CO 0.00 0.15 0.08 -0.32 -0.55 0.00 0.00 176.35 175.71 1s6j s MET 57 N -1.53 2.79 0.19 1.48 1.75 -1.26 -4.90 119.30 117.82 1s6j s MET 57 Ca 0.37 -0.82 0.09 0.00 -1.25 0.00 0.00 55.69 54.08 1s6j s MET 57 Cb -0.19 -2.64 0.48 0.00 2.84 0.00 0.00 34.83 35.33 1s6j s MET 57 CO 0.21 0.52 1.16 -1.91 -0.65 0.00 0.00 175.02 174.36 1s6j n GLU 58 N 0.12 0.06 0.08 4.11 2.13 -1.26 -0.65 120.64 125.24 1s6j n GLU 58 Ca -0.09 0.49 -0.03 0.00 0.66 0.00 0.00 57.16 58.19 1s6j n GLU 58 Cb 0.53 -1.89 0.20 0.00 0.27 0.00 0.00 31.44 30.54 1s6j n GLU 58 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1s6j h SER 59 N 0.00 0.29 0.11 4.31 4.64 -2.02 -2.79 113.55 118.08 1s6j h SER 59 Ca 0.00 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.10 1s6j h SER 59 Cb 0.40 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1s6j h SER 59 CO 0.00 0.69 -0.32 -0.08 -0.87 0.00 0.00 176.83 176.25 1s6j h GLU 60 N 0.22 0.32 0.00 4.77 4.57 -1.29 -2.23 114.58 120.94 1s6j h GLU 60 Ca 0.02 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1s6j h GLU 60 Cb 0.87 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1s6j h GLU 60 CO 0.07 0.61 -0.01 0.82 -1.18 0.00 0.00 179.01 179.32 1s6j h ILE 61 N 0.28 0.08 0.18 2.32 1.08 -1.61 0.26 117.51 120.10 1s6j h ILE 61 Ca 0.04 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 1s6j h ILE 61 Cb 0.71 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 1s6j h ILE 61 CO 0.05 0.01 -0.09 0.11 -0.69 0.00 0.00 178.15 177.54 1s6j h LYS 62 N 0.00 -0.23 0.00 2.37 1.79 -1.45 0.28 116.57 119.32 1s6j h LYS 62 Ca -0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1s6j h LYS 62 Cb 0.11 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1s6j h LYS 62 CO 0.00 -0.16 0.01 0.22 -1.08 0.00 0.00 179.45 178.45 1s6j h ASP 63 N -0.80 0.00 0.19 0.86 1.82 -1.51 0.51 116.42 117.48 1s6j h ASP 63 Ca -0.02 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.31 1s6j h ASP 63 Cb 0.19 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.22 1s6j h ASP 63 CO 0.04 0.00 -1.45 0.25 -1.61 0.00 0.00 179.24 176.47 1s6j h LEU 64 N 0.00 0.64 0.00 2.28 5.85 -0.43 -3.30 115.31 120.35 1s6j h LEU 64 Ca 0.00 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.80 1s6j h LEU 64 Cb 0.03 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1s6j h LEU 64 CO 0.00 1.67 -0.11 -0.03 -0.34 0.00 0.00 178.44 179.63 1s6j h MET 65 N -0.03 0.00 -1.10 1.25 4.05 0.17 -3.09 114.93 116.18 1s6j h MET 65 Ca -0.28 0.00 0.39 0.00 -0.28 0.00 0.00 59.70 59.54 1s6j h MET 65 Cb 1.99 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 32.64 1s6j h MET 65 CO 0.19 0.00 0.65 0.22 0.23 0.00 0.00 176.91 178.20 1s6j h ASP 66 N -0.26 0.36 0.14 1.39 1.82 -0.30 0.35 116.42 119.91 1s6j h ASP 66 Ca 0.00 0.20 -0.28 0.00 -0.39 0.00 0.00 57.03 56.56 1s6j h ASP 66 Cb 0.11 0.18 0.03 0.00 0.68 0.00 0.00 39.33 40.33 1s6j h ASP 66 CO 0.00 -0.25 -1.17 0.00 -1.61 0.00 0.00 179.24 176.20 1s6j h ALA 67 N 1.82 -0.04 0.51 -0.78 0.00 -1.64 -3.37 119.26 115.76 1s6j h ALA 67 Ca 0.80 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1s6j h ALA 67 Cb 2.16 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 20.06 1s6j h ALA 67 CO -0.60 0.61 -0.40 0.00 0.00 0.00 0.00 179.25 178.86 1s6j h ALA 68 N 0.23 -1.13 -2.44 0.00 0.00 -0.27 -3.38 119.26 112.27 1s6j h ALA 68 Ca -0.19 -0.18 -0.69 0.00 0.00 0.00 0.00 54.91 53.86 1s6j h ALA 68 Cb 1.87 0.58 -0.18 0.00 0.00 0.00 0.00 17.79 20.06 1s6j h ALA 68 CO 0.22 -1.13 -0.24 0.16 0.00 0.00 0.00 179.25 178.26 1s6j s ASP 69 N -3.84 6.19 0.32 0.00 -4.77 -0.55 -4.67 116.67 109.34 1s6j s ASP 69 Ca -0.15 -0.56 0.21 0.00 -3.30 0.00 0.00 52.55 48.75 1s6j s ASP 69 Cb 0.03 -2.21 0.16 0.00 -1.09 0.00 0.00 42.92 39.81 1s6j s ASP 69 CO 0.48 -0.51 1.35 -0.29 0.70 0.00 0.00 175.17 176.90 1s6j h ILE 70 N 5.67 0.14 0.00 2.11 6.09 -1.75 -3.25 117.51 126.52 1s6j h ILE 70 Ca -0.27 -1.22 0.00 0.00 -1.37 0.00 0.00 64.86 62.00 1s6j h ILE 70 Cb 1.12 1.89 0.00 0.00 0.47 0.00 0.00 36.82 40.30 1s6j h ILE 70 CO 0.76 0.08 0.00 -2.24 -3.07 0.00 0.00 178.15 173.68 1s6j h ASP 71 N 0.00 0.00 -0.34 2.19 2.03 -1.92 -3.44 116.42 114.94 1s6j h ASP 71 Ca -0.01 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.19 1s6j h ASP 71 Cb 1.09 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.55 1s6j h ASP 71 CO 0.01 0.00 -0.09 0.29 -1.03 0.00 0.00 179.24 178.42 1s6j n LYS 72 N -2.37 -1.82 0.26 4.15 5.02 -1.23 -4.77 118.16 117.40 1s6j n LYS 72 Ca -0.01 0.58 0.18 0.00 -2.02 0.00 0.00 58.31 57.03 1s6j n LYS 72 Cb 0.07 -4.75 0.91 0.00 -0.02 0.00 0.00 35.03 31.24 1s6j n LYS 72 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1s6j h SER 73 N 0.00 0.00 0.00 4.39 4.64 -1.87 -3.45 113.55 117.26 1s6j h SER 73 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1s6j h SER 73 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1s6j h SER 73 CO 0.15 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 1s6j n GLY 74 N -1.03 2.93 2.90 -0.77 0.00 -1.26 -5.04 105.19 102.93 1s6j n GLY 74 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 0.66 0.11 2.61 -1.32 -1.26 -3.58 115.64 110.22 1s6j s THR 75 Ca 0.00 -0.17 -0.30 0.00 -1.21 0.00 0.00 61.69 60.01 1s6j s THR 75 Cb 0.00 -0.68 -0.06 0.00 -1.51 0.00 0.00 72.50 70.25 1s6j s THR 75 CO 0.00 0.26 1.03 -0.51 -2.21 0.00 0.00 174.62 173.19 1s6j s ILE 76 N 1.06 4.34 0.05 5.08 2.07 0.13 -4.86 121.20 129.06 1s6j s ILE 76 Ca -0.09 1.89 0.04 0.00 -1.41 0.00 0.00 60.65 61.08 1s6j s ILE 76 Cb -0.14 -4.20 -0.04 0.00 0.13 0.00 0.00 42.46 38.21 1s6j s ILE 76 CO -0.01 0.26 -0.04 -0.62 -1.91 0.00 0.00 174.94 172.63 1s6j s ASP 77 N 0.24 4.80 0.47 4.50 2.15 -1.26 -2.66 116.67 124.91 1s6j s ASP 77 Ca 0.50 -0.18 0.25 0.00 0.43 0.00 0.00 52.55 53.54 1s6j s ASP 77 Cb -0.25 -1.11 1.28 0.00 -0.30 0.00 0.00 42.92 42.53 1s6j s ASP 77 CO 0.31 0.23 1.85 0.22 -0.17 0.00 0.00 175.17 177.60 1s6j h TYR 78 N 3.95 0.32 -0.55 -5.34 3.20 -1.91 0.24 116.97 116.87 1s6j h TYR 78 Ca -0.48 0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.50 1s6j h TYR 78 Cb 1.17 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 39.27 1s6j h TYR 78 CO 0.60 0.06 0.12 0.78 -1.64 0.00 0.00 178.16 178.08 1s6j h GLY 79 N 0.22 0.70 1.05 1.82 0.00 -1.79 -2.26 103.07 102.81 1s6j h GLY 79 Ca 0.49 -0.03 -0.30 0.00 0.00 0.00 0.00 47.33 47.49 1s6j h GLY 79 CO -0.12 -0.08 -1.67 1.05 0.00 0.00 0.00 176.54 175.72 1s6j h GLU 80 N 0.26 0.07 -0.05 4.80 4.11 -1.60 -3.34 114.58 118.83 1s6j h GLU 80 Ca 0.28 -0.12 0.02 0.00 0.07 0.00 0.00 59.36 59.61 1s6j h GLU 80 Cb 0.40 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1s6j h GLU 80 CO -0.36 0.72 0.17 0.35 0.07 0.00 0.00 179.01 179.96 1s6j h PHE 81 N 0.02 0.00 -0.13 2.06 3.57 -0.71 -1.52 116.94 120.22 1s6j h PHE 81 Ca -0.28 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.26 1s6j h PHE 81 Cb 1.99 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.73 1s6j h PHE 81 CO 0.02 0.00 0.18 0.97 -2.23 0.00 0.00 178.31 177.25 1s6j h ILE 82 N 0.00 0.35 0.05 1.41 6.09 -1.54 -2.74 117.51 121.14 1s6j h ILE 82 Ca 0.03 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.54 1s6j h ILE 82 Cb 0.36 0.85 -0.05 0.00 0.47 0.00 0.00 36.82 38.44 1s6j h ILE 82 CO -0.00 0.00 -0.40 0.00 -3.07 0.00 0.00 178.15 174.68 1s6j h ALA 83 N 1.76 -0.66 -3.23 0.18 0.00 -1.56 -3.40 119.26 112.35 1s6j h ALA 83 Ca 0.06 -0.05 -0.49 0.00 0.00 0.00 0.00 54.91 54.43 1s6j h ALA 83 Cb 0.43 0.69 -0.40 0.00 0.00 0.00 0.00 17.79 18.51 1s6j h ALA 83 CO -0.00 -0.94 -0.76 0.00 0.00 0.00 0.00 179.25 177.54 1s6j s ALA 84 N -5.92 0.83 0.23 0.00 0.00 -1.03 -5.14 121.76 110.72 1s6j s ALA 84 Ca -0.16 -0.50 0.11 0.00 0.00 0.00 0.00 51.96 51.41 1s6j s ALA 84 Cb 0.08 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 1s6j s ALA 84 CO 0.64 -1.02 -0.16 -0.08 0.00 0.00 0.00 175.76 175.14 1s6j s THR 85 N 1.94 2.75 -0.20 0.00 -1.32 -1.26 -4.96 115.64 112.59 1s6j s THR 85 Ca 0.01 -2.06 -0.06 0.00 -1.21 0.00 0.00 61.69 58.37 1s6j s THR 85 Cb -0.16 -2.40 -0.03 0.00 -1.51 0.00 0.00 72.50 68.40 1s6j s THR 85 CO -0.08 -0.25 0.03 -0.69 -2.21 0.00 0.00 174.62 171.42 1s6j s VAL 86 N -2.07 4.27 0.00 5.08 1.01 -1.26 -5.18 120.40 122.26 1s6j s VAL 86 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1s6j s VAL 86 Cb -0.07 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1s6j s VAL 86 CO 0.14 0.43 0.00 0.00 0.00 0.00 0.00 175.10 175.67