#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 7.08 0.49 0.41 0.15 -1.26 -4.93 113.70 115.64 1s6j s SER 2 Ca 0.00 1.90 0.33 0.00 0.70 0.00 0.00 55.95 58.88 1s6j s SER 2 Cb 0.00 -2.58 1.69 0.00 -1.71 0.00 0.00 66.02 63.42 1s6j s SER 2 CO 0.00 -0.26 2.01 -1.28 1.20 0.00 0.00 173.24 174.91 1s6j h SER 3 N 2.78 0.00 -0.33 5.45 0.87 -2.08 -3.40 113.55 116.85 1s6j h SER 3 Ca -0.48 0.00 0.22 0.00 -1.23 0.00 0.00 61.79 60.30 1s6j h SER 3 Cb 1.20 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.96 1s6j h SER 3 CO 0.64 0.00 0.05 -0.83 -0.53 0.00 0.00 176.83 176.16 1s6j s GLY 4 N -3.90 -0.63 0.00 5.77 0.00 -1.26 -5.00 107.32 102.31 1s6j s GLY 4 Ca -0.02 2.43 0.27 0.00 0.00 0.00 0.00 44.72 47.39 1s6j s GLY 4 CO 0.37 3.93 1.93 -2.39 0.00 0.00 0.00 173.10 176.93 1s6j n HIS 5 N 5.32 0.00 -3.33 1.90 -0.00 -1.26 -4.33 115.22 113.52 1s6j n HIS 5 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.72 57.27 1s6j n HIS 5 Cb 0.55 -0.07 -0.00 0.00 -0.00 0.00 0.00 29.99 30.48 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 -2.13 5.94 0.17 0.61 1.01 -1.26 -4.43 121.20 121.11 1s6j s ILE 6 Ca 0.36 -3.31 0.00 0.00 0.00 0.00 0.00 60.65 57.71 1s6j s ILE 6 Cb 0.18 -4.60 0.00 0.00 0.01 0.00 0.00 42.46 38.05 1s6j s ILE 6 CO 0.33 -1.18 0.00 -0.67 0.00 0.00 0.00 174.94 173.41 1s6j n ASP 7 N 2.92 -1.53 -4.39 3.58 -0.08 -1.26 -5.14 116.55 110.65 1s6j n ASP 7 Ca 0.23 0.44 -0.30 0.00 -1.51 0.00 0.00 54.79 53.65 1s6j n ASP 7 Cb 0.40 1.65 -0.14 0.00 2.34 0.00 0.00 41.12 45.38 1s6j n ASP 7 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 1s6j s ASP 8 N -2.00 3.41 -0.36 1.67 1.47 -1.26 -5.02 116.67 114.58 1s6j s ASP 8 Ca 0.00 -0.54 0.01 0.00 1.18 0.00 0.00 52.55 53.20 1s6j s ASP 8 Cb 0.00 -0.40 0.42 0.00 -0.34 0.00 0.00 42.92 42.59 1s6j s ASP 8 CO 0.00 0.25 1.76 0.47 0.68 0.00 0.00 175.17 178.33 1s6j n ASP 9 N 1.63 4.58 -0.11 2.11 9.92 -1.26 -4.21 116.55 129.22 1s6j n ASP 9 Ca -0.17 -3.19 -0.20 0.00 -0.53 0.00 0.00 54.79 50.70 1s6j n ASP 9 Cb 0.52 -0.82 -0.09 0.00 -0.64 0.00 0.00 41.12 40.09 1s6j n ASP 9 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1s6j n ASP 10 N -0.50 1.88 0.05 -2.24 -0.08 -1.26 -3.64 116.55 110.76 1s6j n ASP 10 Ca 0.42 0.43 -0.07 0.00 -1.51 0.00 0.00 54.79 54.06 1s6j n ASP 10 Cb 1.10 -0.90 -0.12 0.00 2.34 0.00 0.00 41.12 43.54 1s6j n ASP 10 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1s6j h LYS 11 N -1.00 0.00 0.00 -0.67 5.09 -1.96 -3.25 116.57 114.78 1s6j h LYS 11 Ca -0.36 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.32 1s6j h LYS 11 Cb 1.24 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.56 1s6j h LYS 11 CO -0.22 0.87 -0.26 1.25 -2.09 0.00 0.00 179.45 179.01 1s6j h HIS 12 N 0.00 0.00 -0.04 0.07 2.76 -1.79 -2.93 115.15 113.23 1s6j h HIS 12 Ca -0.07 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.07 1s6j h HIS 12 Cb 1.80 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.76 1s6j h HIS 12 CO 0.00 0.26 -0.16 1.98 -1.30 0.00 0.00 177.93 178.71 1s6j h MET 13 N 0.00 0.05 0.00 5.26 1.85 -1.62 0.60 114.93 121.07 1s6j h MET 13 Ca -0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1s6j h MET 13 Cb 0.82 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.85 1s6j h MET 13 CO 0.03 0.21 -0.78 0.00 -0.40 0.00 0.00 176.91 175.98 1s6j n ALA 14 N -2.50 3.68 -1.86 0.39 0.00 -1.12 -4.10 120.51 115.00 1s6j n ALA 14 Ca -0.02 -0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.07 1s6j n ALA 14 Cb 0.24 -1.01 0.14 0.00 0.00 0.00 0.00 19.45 18.82 1s6j n ALA 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s6j n GLU 15 N -1.70 1.05 0.00 0.00 1.02 -0.73 -4.81 120.64 115.47 1s6j n GLU 15 Ca 0.04 -2.81 0.00 0.00 -0.02 0.00 0.00 57.16 54.36 1s6j n GLU 15 Cb 0.38 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 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 -0.61 0.73 -2.33 3.49 -4.01 0.20 -4.86 116.66 109.28 1s6j n ARG 16 Ca 0.14 0.00 -0.37 0.00 -1.04 0.00 0.00 57.85 56.58 1s6j n ARG 16 Cb 0.83 -1.32 -0.02 0.00 -3.04 0.00 0.00 32.46 28.91 1s6j n ARG 16 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1s6j s LEU 17 N 0.00 4.05 -0.89 2.89 2.01 -1.26 -4.99 118.68 120.49 1s6j s LEU 17 Ca 0.00 2.24 -0.10 0.00 0.01 0.00 0.00 54.13 56.28 1s6j s LEU 17 Cb 0.00 -4.22 0.23 0.00 0.01 0.00 0.00 46.19 42.21 1s6j s LEU 17 CO 0.00 -0.80 0.83 -0.44 1.01 0.00 0.00 176.35 176.95 1s6j s SER 18 N -1.40 6.67 0.29 2.29 0.01 -1.26 -4.86 113.70 115.43 1s6j s SER 18 Ca 0.62 -3.06 0.22 0.00 1.31 0.00 0.00 55.95 55.04 1s6j s SER 18 Cb -0.27 -2.14 1.06 0.00 0.21 0.00 0.00 66.02 64.88 1s6j s SER 18 CO 0.33 -0.43 1.68 -1.84 0.41 0.00 0.00 173.24 173.39 1s6j n GLU 19 N 3.41 0.17 -0.18 12.44 0.00 -1.26 -2.42 120.64 132.80 1s6j n GLU 19 Ca 0.17 0.53 0.30 0.00 0.00 0.00 0.00 57.16 58.15 1s6j n GLU 19 Cb 0.43 -1.91 0.72 0.00 0.00 0.00 0.00 31.44 30.67 1s6j n GLU 19 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1s6j h GLU 20 N 0.00 0.00 0.00 3.44 4.11 -1.89 0.38 114.58 120.62 1s6j h GLU 20 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1s6j h GLU 20 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1s6j h GLU 20 CO 0.00 0.00 -0.39 -1.91 0.07 0.00 0.00 179.01 176.78 1s6j n GLU 21 N -4.00 3.16 -0.06 1.06 2.13 -1.11 -3.64 120.64 118.18 1s6j n GLU 21 Ca 0.19 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.84 1s6j n GLU 21 Cb 1.06 -0.64 -0.13 0.00 0.27 0.00 0.00 31.44 31.99 1s6j n GLU 21 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1s6j n ILE 22 N -0.68 1.61 -0.05 6.31 2.08 -1.01 -4.34 119.36 123.27 1s6j n ILE 22 Ca 0.00 -0.65 -0.04 0.00 0.56 0.00 0.00 62.75 62.62 1s6j n ILE 22 Cb 0.00 -1.42 -0.01 0.00 -0.75 0.00 0.00 39.64 37.46 1s6j n ILE 22 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1s6j n GLY 23 N 2.05 -0.63 0.00 7.39 0.00 0.36 -4.38 105.19 109.98 1s6j n GLY 23 Ca -0.37 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 1.56 -0.11 0.04 -0.02 0.00 0.11 -2.39 105.19 104.37 1s6j n GLY 24 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.00 0.00 0.99 7.12 -1.76 -3.32 115.31 118.34 1s6j h LEU 25 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1s6j h LEU 25 Cb 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.20 1s6j h LEU 25 CO 0.00 0.38 -0.03 1.17 -0.13 0.00 0.00 178.44 179.83 1s6j n LYS 26 N -3.84 0.02 -0.01 1.25 4.81 -1.12 -4.76 118.16 114.51 1s6j n LYS 26 Ca -0.01 0.20 -0.01 0.00 -0.87 0.00 0.00 58.31 57.62 1s6j n LYS 26 Cb 0.05 -0.73 -0.00 0.00 0.02 0.00 0.00 35.03 34.37 1s6j n LYS 26 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1s6j h GLU 27 N -0.05 0.00 -1.30 1.64 4.39 -1.88 -3.40 114.58 113.99 1s6j h GLU 27 Ca 0.00 0.00 0.45 0.00 0.34 0.00 0.00 59.36 60.15 1s6j h GLU 27 Cb 0.03 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.55 1s6j h GLU 27 CO 0.00 0.00 0.84 1.28 -1.16 0.00 0.00 179.01 179.97 1s6j n LEU 28 N -2.74 0.19 0.24 1.33 7.99 -1.00 -0.57 117.00 122.43 1s6j n LEU 28 Ca -0.01 1.27 -0.17 0.00 -0.01 0.00 0.00 56.01 57.09 1s6j n LEU 28 Cb 0.05 -0.63 -0.08 0.00 -0.11 0.00 0.00 43.42 42.65 1s6j n LEU 28 CO 0.02 -1.38 0.58 0.15 -1.51 0.00 0.00 177.39 175.25 1s6j h PHE 29 N 0.00 -1.17 0.00 -1.77 3.57 -1.66 0.41 116.94 116.32 1s6j h PHE 29 Ca 0.82 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.32 1s6j h PHE 29 Cb 2.66 0.46 -0.00 0.00 2.79 0.00 0.00 35.95 41.86 1s6j h PHE 29 CO -0.01 -0.58 -0.06 0.87 -2.23 0.00 0.00 178.31 176.31 1s6j h LYS 30 N -0.85 0.00 0.00 1.11 1.79 -1.05 -2.05 116.57 115.52 1s6j h LYS 30 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1s6j h LYS 30 Cb 0.76 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1s6j h LYS 30 CO -0.08 0.06 -0.70 0.52 -1.08 0.00 0.00 179.45 178.17 1s6j h MET 31 N 0.00 0.00 0.00 3.15 2.86 -0.76 -3.39 114.93 116.79 1s6j h MET 31 Ca -0.00 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 1s6j h MET 31 Cb 0.59 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1s6j h MET 31 CO 0.01 0.00 -1.28 -0.89 1.06 0.00 0.00 176.91 175.81 1s6j n ILE 32 N -2.45 1.49 -1.54 -1.22 2.08 0.14 -4.83 119.36 113.04 1s6j n ILE 32 Ca 0.02 -0.01 -0.42 0.00 0.56 0.00 0.00 62.75 62.90 1s6j n ILE 32 Cb 0.49 -2.16 -0.05 0.00 -0.75 0.00 0.00 39.64 37.18 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 -4.45 2.47 0.21 4.38 2.03 -0.79 -4.76 116.55 115.64 1s6j n ASP 33 Ca -0.27 -0.01 0.17 0.00 0.52 0.00 0.00 54.79 55.20 1s6j n ASP 33 Cb 0.58 -1.46 0.83 0.00 -0.72 0.00 0.00 41.12 40.35 1s6j n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s6j h THR 34 N 7.40 0.47 0.00 5.18 1.03 -1.88 0.57 112.91 125.69 1s6j h THR 34 Ca -0.29 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 66.02 1s6j h THR 34 Cb 1.27 0.84 -0.01 0.00 -1.07 0.00 0.00 68.15 69.19 1s6j h THR 34 CO 1.07 0.00 -0.41 -0.78 -0.01 0.00 0.00 175.52 175.39 1s6j h ASP 35 N 0.00 0.00 -0.89 0.00 3.58 -1.88 -3.46 116.42 113.78 1s6j h ASP 35 Ca 0.08 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.34 1s6j h ASP 35 Cb 0.47 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.44 1s6j h ASP 35 CO -0.00 0.41 -0.17 0.59 -2.88 0.00 0.00 179.24 177.19 1s6j n ASN 36 N -3.32 -3.80 0.22 2.28 4.13 0.20 -4.72 115.26 110.24 1s6j n ASN 36 Ca 0.01 0.23 0.13 0.00 1.68 0.00 0.00 54.58 56.64 1s6j n ASN 36 Cb 0.62 -3.12 0.33 0.00 -1.54 0.00 0.00 39.78 36.07 1s6j n ASN 36 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1s6j h SER 37 N 0.00 0.00 0.00 6.41 4.64 -1.90 -3.47 113.55 119.24 1s6j h SER 37 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1s6j h SER 37 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1s6j h SER 37 CO 0.28 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 1s6j n GLY 38 N 0.83 1.29 3.51 -0.77 0.00 -1.26 -5.10 105.19 103.69 1s6j n GLY 38 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -0.03 2.61 -4.23 -1.26 -5.01 115.64 105.72 1s6j s THR 39 Ca 0.00 -0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.47 1s6j s THR 39 Cb 0.00 -0.88 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 1s6j s THR 39 CO 0.00 -0.02 0.07 -0.63 -0.54 0.00 0.00 174.62 173.50 1s6j s ILE 40 N -0.08 4.70 0.02 2.99 1.01 -1.07 -4.81 121.20 123.98 1s6j s ILE 40 Ca -0.03 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.33 1s6j s ILE 40 Cb -0.04 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 1s6j s ILE 40 CO 0.03 0.43 -0.09 0.42 0.00 0.00 0.00 174.94 175.73 1s6j s THR 41 N -1.11 0.66 0.25 2.92 -4.23 -1.26 -0.86 115.64 112.01 1s6j s THR 41 Ca 0.20 -0.75 0.09 0.00 -1.18 0.00 0.00 61.69 60.05 1s6j s THR 41 Cb -0.12 -0.63 0.29 0.00 1.34 0.00 0.00 72.50 73.38 1s6j s THR 41 CO 0.10 -0.09 1.17 0.33 -0.54 0.00 0.00 174.62 175.59 1s6j n PHE 42 N 2.13 0.67 -0.20 3.99 7.35 -1.25 0.51 117.46 130.66 1s6j n PHE 42 Ca -0.18 0.88 -0.01 0.00 -0.76 0.00 0.00 57.45 57.39 1s6j n PHE 42 Cb 0.56 -1.18 0.07 0.00 0.35 0.00 0.00 39.48 39.27 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 -0.50 0.51 -2.13 3.58 -1.96 -1.79 116.42 114.13 1s6j h ASP 43 Ca 0.54 0.17 -0.29 0.00 0.42 0.00 0.00 57.03 57.87 1s6j h ASP 43 Cb 1.30 0.35 -0.03 0.00 1.72 0.00 0.00 39.33 42.68 1s6j h ASP 43 CO -0.63 -0.18 -1.57 1.05 -2.88 0.00 0.00 179.24 175.02 1s6j h GLU 44 N 0.02 0.12 -0.47 0.28 4.11 -0.36 -3.38 114.58 114.90 1s6j h GLU 44 Ca 0.29 -0.20 0.05 0.00 0.07 0.00 0.00 59.36 59.57 1s6j h GLU 44 Cb 0.46 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 1s6j h GLU 44 CO -0.60 0.87 -0.42 1.25 0.07 0.00 0.00 179.01 180.18 1s6j h LEU 45 N 0.03 -1.48 -0.30 3.06 5.85 0.30 0.23 115.31 123.01 1s6j h LEU 45 Ca -0.25 0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.75 1s6j h LEU 45 Cb 1.98 0.62 -0.08 0.00 0.37 0.00 0.00 40.66 43.55 1s6j h LEU 45 CO 0.12 -0.25 -0.31 0.07 -0.34 0.00 0.00 178.44 177.72 1s6j h LYS 46 N -0.19 -0.28 0.00 1.25 2.10 -1.60 0.19 116.57 118.04 1s6j h LYS 46 Ca 0.08 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1s6j h LYS 46 Cb 0.39 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1s6j h LYS 46 CO -0.54 -0.19 0.00 -0.44 -2.00 0.00 0.00 179.45 176.28 1s6j h ASP 47 N -0.30 0.00 -0.04 7.07 3.32 -1.56 0.69 116.42 125.61 1s6j h ASP 47 Ca 0.14 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 1s6j h ASP 47 Cb 0.53 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.09 1s6j h ASP 47 CO -0.46 0.00 -0.60 1.23 -1.72 0.00 0.00 179.24 177.68 1s6j h GLY 48 N 0.88 0.53 1.06 2.75 0.00 0.26 -0.05 103.07 108.50 1s6j h GLY 48 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1s6j h GLY 48 CO 0.00 0.76 -0.91 -2.00 0.00 0.00 0.00 176.54 174.39 1s6j h LEU 49 N 0.03 0.00 -0.10 3.11 5.85 -0.95 -3.29 115.31 119.96 1s6j h LEU 49 Ca -0.06 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.50 1s6j h LEU 49 Cb 1.28 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1s6j h LEU 49 CO 0.12 0.01 -0.61 0.50 -0.34 0.00 0.00 178.44 178.12 1s6j h LYS 50 N 0.00 0.00 -1.34 1.25 1.63 0.37 -3.26 116.57 115.22 1s6j h LYS 50 Ca 0.00 0.00 0.39 0.00 -0.85 0.00 0.00 60.65 60.19 1s6j h LYS 50 Cb 0.97 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.55 1s6j h LYS 50 CO 0.00 0.61 0.96 -0.09 -3.45 0.00 0.00 179.45 177.48 1s6j h ARG 51 N 0.00 0.00 0.02 1.90 9.65 -1.07 0.50 114.38 125.38 1s6j h ARG 51 Ca -0.01 -0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.57 1s6j h ARG 51 Cb 1.43 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.96 1s6j h ARG 51 CO 0.08 0.00 -1.73 -0.39 2.80 0.00 0.00 179.97 180.73 1s6j h VAL 52 N 0.00 0.84 -5.73 0.20 -1.51 -1.80 -3.49 116.25 104.76 1s6j h VAL 52 Ca 0.64 -2.67 -0.35 0.00 -1.23 0.00 0.00 66.70 63.09 1s6j h VAL 52 Cb 2.55 2.44 0.15 0.00 -2.13 0.00 0.00 31.29 34.30 1s6j h VAL 52 CO -0.01 0.55 -0.78 0.61 -1.23 0.00 0.00 177.57 176.72 1s6j n GLY 53 N 1.61 -0.36 0.00 5.19 0.00 0.17 -5.00 105.19 106.81 1s6j n GLY 53 Ca -0.19 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.11 0.00 -2.87 1.61 2.88 -1.26 -4.93 113.62 105.94 1s6j n SER 54 Ca -0.28 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.14 1s6j n SER 54 Cb 0.67 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.14 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 1.07 -3.72 -1.46 -0.58 -1.26 -5.12 120.64 109.58 1s6j n GLU 55 Ca 0.00 -3.22 -0.20 0.00 -0.42 0.00 0.00 57.16 53.32 1s6j n GLU 55 Cb 0.00 -1.38 -0.02 0.00 -0.57 0.00 0.00 31.44 29.47 1s6j n GLU 55 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 1s6j s LEU 56 N -2.84 3.79 -0.13 -4.62 0.05 -1.26 -5.12 118.68 108.56 1s6j s LEU 56 Ca 0.32 -0.33 0.00 0.00 0.05 0.00 0.00 54.13 54.17 1s6j s LEU 56 Cb 0.41 -2.46 0.02 0.00 -2.05 0.00 0.00 46.19 42.12 1s6j s LEU 56 CO -0.01 -0.34 -0.12 0.00 -0.55 0.00 0.00 176.35 175.33 1s6j s MET 57 N -4.05 1.99 0.00 1.48 0.23 -1.26 -4.99 119.30 112.71 1s6j s MET 57 Ca 0.41 -0.44 0.00 0.00 -1.03 0.00 0.00 55.69 54.63 1s6j s MET 57 Cb -0.07 -1.87 0.00 0.00 -1.53 0.00 0.00 34.83 31.35 1s6j s MET 57 CO 0.28 -0.22 0.87 0.39 -2.03 0.00 0.00 175.02 174.31 1s6j n GLU 58 N 4.74 0.00 0.12 3.16 1.02 -1.26 -0.83 120.64 127.59 1s6j n GLU 58 Ca -0.16 0.37 -0.02 0.00 -0.02 0.00 0.00 57.16 57.34 1s6j n GLU 58 Cb 0.50 -1.62 0.09 0.00 -0.02 0.00 0.00 31.44 30.39 1s6j n GLU 58 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1s6j h SER 59 N 0.00 0.00 0.97 1.62 0.87 -2.02 -3.14 113.55 111.85 1s6j h SER 59 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1s6j h SER 59 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1s6j h SER 59 CO 0.00 0.69 -0.82 -0.33 -0.53 0.00 0.00 176.83 175.84 1s6j h GLU 60 N 0.00 0.00 -0.41 2.24 4.39 -1.41 -3.28 114.58 116.11 1s6j h GLU 60 Ca -0.01 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1s6j h GLU 60 Cb 1.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1s6j h GLU 60 CO 0.09 0.00 -0.35 0.82 -1.16 0.00 0.00 179.01 178.41 1s6j h ILE 61 N 0.00 1.27 0.00 3.13 1.08 -1.56 0.36 117.51 121.80 1s6j h ILE 61 Ca 0.00 -1.52 -0.13 0.00 -0.39 0.00 0.00 64.86 62.82 1s6j h ILE 61 Cb 0.89 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.95 1s6j h ILE 61 CO 0.00 0.51 -0.61 0.07 -0.69 0.00 0.00 178.15 177.44 1s6j h LYS 62 N 0.79 0.00 0.00 2.37 5.09 -1.69 -2.60 116.57 120.53 1s6j h LYS 62 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.81 1s6j h LYS 62 Cb 0.95 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.28 1s6j h LYS 62 CO 0.09 0.61 -0.59 0.22 -2.09 0.00 0.00 179.45 177.69 1s6j h ASP 63 N 0.00 0.00 0.09 7.07 1.82 -1.59 -3.09 116.42 120.72 1s6j h ASP 63 Ca -0.01 -0.04 -0.18 0.00 -0.39 0.00 0.00 57.03 56.42 1s6j h ASP 63 Cb 1.26 0.00 0.02 0.00 0.68 0.00 0.00 39.33 41.29 1s6j h ASP 63 CO 0.08 0.02 -0.74 0.25 -1.61 0.00 0.00 179.24 177.23 1s6j h LEU 64 N 0.00 0.49 -0.97 2.28 5.85 -0.13 -2.20 115.31 120.64 1s6j h LEU 64 Ca 0.00 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 57.83 1s6j h LEU 64 Cb 0.94 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1s6j h LEU 64 CO 0.00 1.33 0.00 0.00 -0.34 0.00 0.00 178.44 179.43 1s6j h MET 65 N -0.27 0.00 0.20 1.25 -0.00 -1.58 0.20 114.93 114.72 1s6j h MET 65 Ca -0.12 0.00 -0.34 0.00 -0.00 0.00 0.00 59.70 59.24 1s6j h MET 65 Cb 1.53 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 33.15 1s6j h MET 65 CO 0.14 0.00 -1.64 0.22 -0.00 0.00 0.00 176.91 175.63 1s6j h ASP 66 N 0.00 0.66 0.08 -0.10 3.58 -1.58 -3.04 116.42 116.01 1s6j h ASP 66 Ca 0.00 -0.93 -0.10 0.00 0.42 0.00 0.00 57.03 56.42 1s6j h ASP 66 Cb 0.66 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.51 1s6j h ASP 66 CO 0.00 1.75 -0.45 0.00 -2.88 0.00 0.00 179.24 177.67 1s6j h ALA 67 N 0.11 -0.05 0.36 -0.78 0.00 -1.35 -3.37 119.26 114.18 1s6j h ALA 67 Ca -0.32 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 53.97 1s6j h ALA 67 Cb 2.08 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1s6j h ALA 67 CO 0.19 0.21 -0.18 0.00 0.00 0.00 0.00 179.25 179.47 1s6j h ALA 68 N 0.06 -0.50 -2.03 0.00 0.00 -1.14 -3.39 119.26 112.27 1s6j h ALA 68 Ca -0.08 -0.11 -0.59 0.00 0.00 0.00 0.00 54.91 54.14 1s6j h ALA 68 Cb 1.35 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 19.25 1s6j h ALA 68 CO 0.08 -0.78 0.63 0.34 0.00 0.00 0.00 179.25 179.53 1s6j s ASP 69 N -4.76 6.71 0.30 0.00 -1.08 -1.15 -4.40 116.67 112.29 1s6j s ASP 69 Ca -0.16 0.64 0.22 0.00 -0.52 0.00 0.00 52.55 52.73 1s6j s ASP 69 Cb 0.05 -2.47 0.14 0.00 -1.46 0.00 0.00 42.92 39.17 1s6j s ASP 69 CO 0.64 -0.86 1.29 -0.29 0.52 0.00 0.00 175.17 176.47 1s6j h ILE 70 N 5.81 0.08 0.00 4.11 2.10 -1.80 -3.26 117.51 124.56 1s6j h ILE 70 Ca -0.23 -1.13 0.00 0.00 1.08 0.00 0.00 64.86 64.58 1s6j h ILE 70 Cb 1.08 1.79 0.00 0.00 -1.09 0.00 0.00 36.82 38.60 1s6j h ILE 70 CO 0.99 0.05 0.00 -0.67 -1.08 0.00 0.00 178.15 177.43 1s6j n ASP 71 N -2.90 0.06 -2.05 2.19 2.03 -1.26 -4.79 116.55 109.83 1s6j n ASP 71 Ca 0.01 0.52 0.00 0.00 0.52 0.00 0.00 54.79 55.84 1s6j n ASP 71 Cb 0.57 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 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 -1.57 -2.40 0.00 -0.67 2.85 -1.23 -4.70 118.16 110.44 1s6j n LYS 72 Ca 0.01 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.41 1s6j n LYS 72 Cb 0.07 -4.33 0.47 0.00 -0.65 0.00 0.00 35.03 30.58 1s6j n LYS 72 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1s6j n SER 73 N -0.76 1.50 0.00 -5.58 3.41 -1.26 -4.91 113.62 106.02 1s6j n SER 73 Ca 0.00 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 1s6j n SER 73 Cb 0.35 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 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 1.22 3.08 3.41 5.00 0.00 -1.26 -4.99 105.19 111.65 1s6j n GLY 74 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.88 3.50 0.15 2.61 2.01 -1.26 -3.96 115.64 116.82 1s6j s THR 75 Ca 0.00 -0.49 0.09 0.00 0.31 0.00 0.00 61.69 61.60 1s6j s THR 75 Cb 0.00 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1s6j s THR 75 CO 0.00 0.48 -0.12 -0.51 -0.69 0.00 0.00 174.62 173.78 1s6j s ILE 76 N 0.67 3.10 0.11 1.82 2.07 -0.04 -4.87 121.20 124.05 1s6j s ILE 76 Ca -0.04 -1.57 0.05 0.00 -1.41 0.00 0.00 60.65 57.69 1s6j s ILE 76 Cb -0.15 -2.49 -0.04 0.00 0.13 0.00 0.00 42.46 39.92 1s6j s ILE 76 CO 0.02 -0.02 -0.12 -1.81 -1.91 0.00 0.00 174.94 171.10 1s6j s ASP 77 N -2.54 1.74 0.54 4.50 1.11 -1.26 -2.58 116.67 118.17 1s6j s ASP 77 Ca 0.22 -0.80 0.32 0.00 0.18 0.00 0.00 52.55 52.48 1s6j s ASP 77 Cb -0.10 -0.03 1.29 0.00 1.07 0.00 0.00 42.92 45.15 1s6j s ASP 77 CO 0.13 -0.19 1.96 1.88 1.18 0.00 0.00 175.17 180.13 1s6j h TYR 78 N 3.59 0.00 0.00 4.23 -1.99 -1.82 -2.88 116.97 118.10 1s6j h TYR 78 Ca -0.39 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.26 1s6j h TYR 78 Cb 1.19 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.91 1s6j h TYR 78 CO 0.64 0.02 -0.67 0.78 -0.00 0.00 0.00 178.16 178.93 1s6j h GLY 79 N 2.10 0.00 0.91 3.88 0.00 -1.87 -3.36 103.07 104.73 1s6j h GLY 79 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 1s6j h GLY 79 CO 0.00 0.00 -1.77 1.05 0.00 0.00 0.00 176.54 175.82 1s6j h GLU 80 N 0.00 0.21 -0.50 4.80 4.11 -1.76 -3.36 114.58 118.08 1s6j h GLU 80 Ca -0.04 -0.36 0.15 0.00 0.07 0.00 0.00 59.36 59.18 1s6j h GLU 80 Cb 1.31 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 1s6j h GLU 80 CO 0.04 1.02 0.71 0.35 0.07 0.00 0.00 179.01 181.20 1s6j h PHE 81 N 0.06 0.00 0.00 2.06 3.57 -1.65 -2.29 116.94 118.69 1s6j h PHE 81 Ca -0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1s6j h PHE 81 Cb 2.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.77 1s6j h PHE 81 CO 0.06 0.00 -0.02 0.82 -2.23 0.00 0.00 178.31 176.94 1s6j h ILE 82 N 0.00 0.00 0.00 1.41 5.03 -1.76 -3.46 117.51 118.73 1s6j h ILE 82 Ca 0.24 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.93 1s6j h ILE 82 Cb 1.65 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.44 1s6j h ILE 82 CO -0.00 0.00 -0.03 0.00 -0.68 0.00 0.00 178.15 177.44 1s6j h ALA 83 N -1.95 0.00 -2.27 1.87 0.00 -1.70 -3.51 119.26 111.71 1s6j h ALA 83 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1s6j h ALA 83 Cb 0.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1s6j h ALA 83 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1s6j n ALA 84 N -2.29 0.00 -1.00 0.00 0.00 -0.87 -5.08 120.51 111.26 1s6j n ALA 84 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1s6j n ALA 84 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1s6j n ALA 84 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s6j n THR 85 N -0.89 0.00 -3.65 0.00 -2.24 -1.26 -4.40 114.28 101.83 1s6j n THR 85 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1s6j n THR 85 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1s6j n THR 85 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1s6j s VAL 86 N 0.00 0.00 -2.43 2.28 0.11 -1.26 -4.69 120.40 114.41 1s6j s VAL 86 Ca 0.00 0.00 0.19 0.00 -2.93 0.00 0.00 61.98 59.24 1s6j s VAL 86 Cb 0.00 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 34.00 1s6j s VAL 86 CO 0.00 0.00 1.12 1.41 -3.33 0.00 0.00 175.10 174.30