#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 6.92 -0.39 0.41 0.15 -1.26 -4.97 113.70 114.56 1s6j s SER 2 Ca 0.00 2.33 0.09 0.00 0.70 0.00 0.00 55.95 59.07 1s6j s SER 2 Cb 0.00 -2.62 0.44 0.00 -1.71 0.00 0.00 66.02 62.13 1s6j s SER 2 CO 0.00 -0.39 1.08 -0.24 1.20 0.00 0.00 173.24 174.89 1s6j n SER 3 N 0.66 3.89 0.00 5.45 2.88 -1.26 -4.83 113.62 120.41 1s6j n SER 3 Ca 0.01 -3.43 0.00 0.00 -1.33 0.00 0.00 58.87 54.12 1s6j n SER 3 Cb 0.45 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 1s6j n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s6j n GLY 4 N -0.42 1.48 2.67 0.46 0.00 -1.26 -5.03 105.19 103.08 1s6j n GLY 4 Ca 0.32 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 3.23 -3.30 1.61 -0.00 -1.26 -4.88 115.22 110.62 1s6j n HIS 5 Ca 0.00 -3.56 -0.44 0.00 -0.00 0.00 0.00 57.72 53.72 1s6j n HIS 5 Cb 0.00 -0.80 -0.08 0.00 -0.00 0.00 0.00 29.99 29.12 1s6j n HIS 5 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 1s6j s ILE 6 N -2.98 5.09 -1.34 1.59 2.07 -1.26 -4.91 121.20 119.45 1s6j s ILE 6 Ca 0.38 -0.69 -0.15 0.00 -1.41 0.00 0.00 60.65 58.79 1s6j s ILE 6 Cb 0.14 -4.15 -0.00 0.00 0.13 0.00 0.00 42.46 38.58 1s6j s ILE 6 CO -0.00 -0.59 2.21 -0.90 -1.91 0.00 0.00 174.94 173.75 1s6j n ASP 7 N 5.60 3.89 0.00 4.50 5.75 -1.26 -3.47 116.55 131.56 1s6j n ASP 7 Ca -0.09 -2.79 0.00 0.00 -0.01 0.00 0.00 54.79 51.90 1s6j n ASP 7 Cb 0.45 -1.55 0.00 0.00 -1.03 0.00 0.00 41.12 38.99 1s6j n ASP 7 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1s6j n ASP 8 N 6.19 0.00 0.00 -1.12 9.92 -1.26 -4.97 116.55 125.31 1s6j n ASP 8 Ca 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.79 1s6j n ASP 8 Cb 0.38 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 1s6j n ASP 8 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1s6j n ASP 9 N -0.96 0.00 -0.05 -2.24 9.92 -1.26 -4.66 116.55 117.30 1s6j n ASP 9 Ca 0.00 -1.00 -0.04 0.00 -0.53 0.00 0.00 54.79 53.22 1s6j n ASP 9 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 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 0.00 1.24 0.03 -2.24 -0.08 -1.26 -4.02 116.55 110.22 1s6j n ASP 10 Ca 0.00 0.39 -0.13 0.00 -1.51 0.00 0.00 54.79 53.54 1s6j n ASP 10 Cb 0.41 -0.71 -0.14 0.00 2.34 0.00 0.00 41.12 43.02 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 -0.67 0.14 0.00 -0.67 5.09 -1.90 -2.80 116.57 115.76 1s6j h LYS 11 Ca 0.00 -0.24 -0.15 0.00 0.09 0.00 0.00 60.65 60.35 1s6j h LYS 11 Cb 0.47 0.09 -0.02 0.00 0.10 0.00 0.00 32.23 32.87 1s6j h LYS 11 CO 0.00 0.91 -0.73 0.45 -2.09 0.00 0.00 179.45 178.00 1s6j h HIS 12 N 0.04 0.00 0.08 0.07 3.86 -1.84 -2.29 115.15 115.07 1s6j h HIS 12 Ca -0.24 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.65 1s6j h HIS 12 Cb 1.98 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.43 1s6j h HIS 12 CO 0.04 0.73 -1.69 1.98 0.86 0.00 0.00 177.93 179.84 1s6j h MET 13 N 0.00 0.17 -0.01 2.45 1.85 -1.70 -3.35 114.93 114.34 1s6j h MET 13 Ca -0.01 -0.29 0.00 0.00 -0.61 0.00 0.00 59.70 58.79 1s6j h MET 13 Cb 1.35 0.11 0.00 0.00 0.43 0.00 0.00 31.60 33.49 1s6j h MET 13 CO 0.09 0.95 -0.11 0.00 -0.40 0.00 0.00 176.91 177.44 1s6j n ALA 14 N -2.71 2.79 0.06 0.39 0.00 -1.06 -3.93 120.51 116.05 1s6j n ALA 14 Ca -0.20 -0.35 -0.23 0.00 0.00 0.00 0.00 53.44 52.67 1s6j n ALA 14 Cb 1.04 -1.25 -0.15 0.00 0.00 0.00 0.00 19.45 19.10 1s6j n ALA 14 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1s6j h GLU 15 N 1.17 0.37 0.00 0.00 4.11 -1.54 -3.49 114.58 115.20 1s6j h GLU 15 Ca 0.00 -0.64 0.00 0.00 0.07 0.00 0.00 59.36 58.79 1s6j h GLU 15 Cb 0.40 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1s6j h GLU 15 CO 0.00 1.30 0.00 2.89 0.07 0.00 0.00 179.01 183.27 1s6j n ARG 16 N -3.64 0.00 -1.80 1.06 1.85 -1.25 -5.11 116.66 107.76 1s6j n ARG 16 Ca -0.25 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.22 1s6j n ARG 16 Cb 1.05 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 32.50 1s6j n ARG 16 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1s6j s LEU 17 N 0.00 3.86 -0.22 2.89 0.20 -1.26 -4.95 118.68 119.20 1s6j s LEU 17 Ca 0.00 2.75 -0.03 0.00 0.69 0.00 0.00 54.13 57.54 1s6j s LEU 17 Cb 0.00 -4.27 0.07 0.00 -0.43 0.00 0.00 46.19 41.56 1s6j s LEU 17 CO 0.00 -1.55 0.07 -0.94 -0.29 0.00 0.00 176.35 173.64 1s6j s SER 18 N -0.97 3.03 0.00 3.68 1.04 -1.26 -4.48 113.70 114.75 1s6j s SER 18 Ca 0.71 -0.95 0.27 0.00 0.48 0.00 0.00 55.95 56.46 1s6j s SER 18 Cb -0.40 -0.53 0.93 0.00 0.10 0.00 0.00 66.02 66.11 1s6j s SER 18 CO 0.47 -0.35 1.70 -0.62 0.98 0.00 0.00 173.24 175.43 1s6j n GLU 19 N 5.09 0.10 0.01 4.02 1.02 -1.26 -3.60 120.64 126.02 1s6j n GLU 19 Ca -0.07 -0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.02 1s6j n GLU 19 Cb 0.46 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.37 1s6j n GLU 19 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1s6j h GLU 20 N 0.09 -0.10 -0.04 3.49 4.81 -1.96 0.71 114.58 121.58 1s6j h GLU 20 Ca 0.00 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1s6j h GLU 20 Cb 0.48 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1s6j h GLU 20 CO 0.00 -0.06 0.03 0.93 -0.73 0.00 0.00 179.01 179.18 1s6j h GLU 21 N -0.75 0.00 0.00 1.92 3.07 -1.98 -1.29 114.58 115.56 1s6j h GLU 21 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1s6j h GLU 21 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1s6j h GLU 21 CO 0.02 0.00 -1.23 -0.89 -1.40 0.00 0.00 179.01 175.51 1s6j n ILE 22 N -4.22 0.16 -0.04 3.13 5.41 -1.24 -4.08 119.36 118.49 1s6j n ILE 22 Ca -0.02 -0.30 -0.03 0.00 1.00 0.00 0.00 62.75 63.40 1s6j n ILE 22 Cb 0.13 0.19 -0.01 0.00 -0.71 0.00 0.00 39.64 39.24 1s6j n ILE 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s6j n GLY 23 N 1.34 -0.62 0.13 7.39 0.00 0.24 -4.76 105.19 108.91 1s6j n GLY 23 Ca 0.01 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 1.59 -0.47 0.13 -0.02 0.00 -0.59 -4.33 105.19 101.51 1s6j n GLY 24 Ca -0.05 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.81 1s6j n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s6j n LEU 25 N -3.47 0.17 -0.00 0.99 7.99 -1.01 -0.54 117.00 121.13 1s6j n LEU 25 Ca -0.40 0.39 -0.00 0.00 -0.01 0.00 0.00 56.01 55.99 1s6j n LEU 25 Cb 0.99 -0.28 -0.00 0.00 -0.11 0.00 0.00 43.42 44.02 1s6j n LEU 25 CO 0.31 -0.45 -0.01 1.17 -1.51 0.00 0.00 177.39 176.90 1s6j n LYS 26 N -1.79 0.02 -0.02 3.23 4.81 -1.26 -4.11 118.16 119.04 1s6j n LYS 26 Ca -0.00 0.25 -0.01 0.00 -0.87 0.00 0.00 58.31 57.68 1s6j n LYS 26 Cb 0.45 -0.78 -0.00 0.00 0.02 0.00 0.00 35.03 34.72 1s6j n LYS 26 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1s6j n GLU 27 N -2.34 0.11 -0.28 1.64 0.28 -1.04 -3.87 120.64 115.14 1s6j n GLU 27 Ca -0.00 0.28 0.09 0.00 -0.16 0.00 0.00 57.16 57.37 1s6j n GLU 27 Cb 0.01 -0.94 0.23 0.00 1.43 0.00 0.00 31.44 32.17 1s6j n GLU 27 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1s6j h LEU 28 N -0.25 -0.13 0.08 -1.84 5.85 -1.75 -0.88 115.31 116.40 1s6j h LEU 28 Ca 0.00 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1s6j h LEU 28 Cb 0.14 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1s6j h LEU 28 CO 0.00 -0.15 -0.04 -0.26 -0.34 0.00 0.00 178.44 177.65 1s6j h PHE 29 N 0.18 -0.10 -1.45 1.25 -1.00 -1.07 0.24 116.94 114.99 1s6j h PHE 29 Ca 0.49 -0.00 0.44 0.00 2.81 0.00 0.00 57.97 61.71 1s6j h PHE 29 Cb 0.93 0.03 -0.09 0.00 3.61 0.00 0.00 35.95 40.43 1s6j h PHE 29 CO -0.33 -0.06 0.99 0.87 -1.61 0.00 0.00 178.31 178.18 1s6j h LYS 30 N -0.47 0.07 0.06 1.51 1.79 -1.66 0.85 116.57 118.73 1s6j h LYS 30 Ca -0.01 -0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.12 1s6j h LYS 30 Cb 0.08 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 1s6j h LYS 30 CO 0.02 0.05 -1.88 -0.12 -1.08 0.00 0.00 179.45 176.44 1s6j n MET 31 N -4.37 0.70 -0.04 3.15 1.56 -0.34 -4.71 117.12 113.07 1s6j n MET 31 Ca 0.36 0.27 -0.03 0.00 -0.27 0.00 0.00 57.70 58.03 1s6j n MET 31 Cb 1.50 -1.74 -0.01 0.00 2.15 0.00 0.00 33.22 35.12 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 -3.26 0.64 -1.54 1.12 2.08 0.71 -4.80 119.36 114.32 1s6j n ILE 32 Ca -0.25 0.36 -0.26 0.00 0.56 0.00 0.00 62.75 63.16 1s6j n ILE 32 Cb 1.05 -1.88 -0.10 0.00 -0.75 0.00 0.00 39.64 37.96 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 -3.33 1.14 0.01 4.38 2.03 0.26 -4.68 116.55 116.37 1s6j n ASP 33 Ca -0.05 -0.75 0.01 0.00 0.52 0.00 0.00 54.79 54.52 1s6j n ASP 33 Cb 0.17 -1.32 0.04 0.00 -0.72 0.00 0.00 41.12 39.29 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 7.76 1.81 -0.01 5.18 -1.04 -1.26 0.45 114.28 127.16 1s6j n THR 34 Ca 0.51 0.52 0.01 0.00 -2.04 0.00 0.00 64.05 63.05 1s6j n THR 34 Cb 0.35 -1.52 -0.13 0.00 -1.82 0.00 0.00 70.33 67.22 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 -1.53 0.36 -1.41 8.00 -0.08 -1.26 -4.95 116.55 115.68 1s6j n ASP 35 Ca -0.00 0.16 -0.10 0.00 -1.51 0.00 0.00 54.79 53.33 1s6j n ASP 35 Cb 0.03 0.96 -0.04 0.00 2.34 0.00 0.00 41.12 44.41 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 -2.65 -2.79 0.12 1.67 3.02 0.17 -4.73 115.26 110.07 1s6j n ASN 36 Ca -0.14 0.25 0.12 0.00 -0.03 0.00 0.00 54.58 54.78 1s6j n ASN 36 Cb 0.83 -2.68 0.04 0.00 -0.61 0.00 0.00 39.78 37.36 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 -1.93 -3.48 113.55 119.20 1s6j h SER 37 Ca -0.22 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1s6j h SER 37 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1s6j h SER 37 CO 0.31 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 1s6j n GLY 38 N 1.18 1.05 2.90 -0.77 0.00 -1.26 -5.10 105.19 103.19 1s6j n GLY 38 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.05 -0.10 2.61 -4.23 -1.26 -4.75 115.64 105.86 1s6j s THR 39 Ca 0.00 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.65 1s6j s THR 39 Cb 0.00 -0.21 -0.04 0.00 1.34 0.00 0.00 72.50 73.60 1s6j s THR 39 CO 0.00 0.07 0.04 -0.63 -0.54 0.00 0.00 174.62 173.56 1s6j s ILE 40 N 1.09 4.65 0.03 2.99 1.09 -1.09 -4.86 121.20 125.09 1s6j s ILE 40 Ca -0.09 -0.12 0.05 0.00 -1.10 0.00 0.00 60.65 59.40 1s6j s ILE 40 Cb -0.11 -2.98 -0.02 0.00 -1.06 0.00 0.00 42.46 38.29 1s6j s ILE 40 CO -0.05 0.61 -0.15 0.42 -0.10 0.00 0.00 174.94 175.67 1s6j s THR 41 N -0.90 1.19 0.22 2.92 -4.23 -1.26 -1.31 115.64 112.26 1s6j s THR 41 Ca 0.13 -0.91 -0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1s6j s THR 41 Cb -0.12 -1.04 0.32 0.00 1.34 0.00 0.00 72.50 73.00 1s6j s THR 41 CO 0.03 0.12 1.15 0.33 -0.54 0.00 0.00 174.62 175.71 1s6j n PHE 42 N 2.12 0.39 -0.17 3.99 7.35 -1.26 0.10 117.46 129.98 1s6j n PHE 42 Ca -0.17 0.89 -0.01 0.00 -0.76 0.00 0.00 57.45 57.40 1s6j n PHE 42 Cb 0.55 -1.01 0.07 0.00 0.35 0.00 0.00 39.48 39.44 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 -0.28 0.85 -2.13 1.82 -1.96 -1.11 116.42 113.60 1s6j h ASP 43 Ca 0.41 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 57.19 1s6j h ASP 43 Cb 0.78 0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.04 1s6j h ASP 43 CO -0.72 -0.10 -0.76 1.05 -1.61 0.00 0.00 179.24 177.10 1s6j h GLU 44 N 0.09 0.00 -0.40 0.28 4.11 0.01 -3.36 114.58 115.30 1s6j h GLU 44 Ca 0.27 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.69 1s6j h GLU 44 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1s6j h GLU 44 CO -0.47 0.00 0.19 1.25 0.07 0.00 0.00 179.01 180.04 1s6j h LEU 45 N 0.00 0.53 -0.50 3.06 5.85 0.19 -3.14 115.31 121.31 1s6j h LEU 45 Ca 0.00 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.68 1s6j h LEU 45 Cb 0.80 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.59 1s6j h LEU 45 CO 0.00 0.52 -0.31 0.11 -0.34 0.00 0.00 178.44 178.42 1s6j h LYS 46 N 0.51 -0.18 -0.64 1.25 1.57 -1.59 0.20 116.57 117.68 1s6j h LYS 46 Ca 0.14 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.11 1s6j h LYS 46 Cb 0.13 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1s6j h LYS 46 CO -0.02 -0.12 1.03 -0.44 -0.57 0.00 0.00 179.45 179.33 1s6j h ASP 47 N -0.19 0.00 0.45 0.86 3.32 -1.77 0.89 116.42 119.98 1s6j h ASP 47 Ca 0.21 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1s6j h ASP 47 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1s6j h ASP 47 CO -0.60 0.00 -0.22 1.23 -1.72 0.00 0.00 179.24 177.93 1s6j h GLY 48 N 0.00 -0.63 0.96 2.75 0.00 -1.10 -2.56 103.07 102.49 1s6j h GLY 48 Ca 0.30 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1s6j h GLY 48 CO -0.00 -0.23 -0.65 1.04 0.00 0.00 0.00 176.54 176.70 1s6j n LEU 49 N -5.25 0.59 -0.06 3.11 7.99 0.47 -4.07 117.00 119.78 1s6j n LEU 49 Ca -0.11 0.06 -0.13 0.00 -0.01 0.00 0.00 56.01 55.83 1s6j n LEU 49 Cb 0.30 -0.20 -0.06 0.00 -0.11 0.00 0.00 43.42 43.35 1s6j n LEU 49 CO 0.32 0.06 0.65 0.50 -1.51 0.00 0.00 177.39 177.40 1s6j h LYS 50 N 0.00 0.37 -0.98 3.23 3.11 0.64 -1.95 116.57 120.98 1s6j h LYS 50 Ca 0.00 -0.17 0.35 0.00 -2.81 0.00 0.00 60.65 58.02 1s6j h LYS 50 Cb 0.62 -0.01 -0.17 0.00 -1.00 0.00 0.00 32.23 31.67 1s6j h LYS 50 CO 0.00 0.69 0.39 0.00 -2.81 0.00 0.00 179.45 177.72 1s6j h ARG 51 N 0.04 0.08 0.02 1.90 2.47 -1.60 0.19 114.38 117.48 1s6j h ARG 51 Ca 0.04 -0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.45 1s6j h ARG 51 Cb 0.58 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.84 1s6j h ARG 51 CO 0.03 0.05 -1.73 -0.39 0.56 0.00 0.00 179.97 178.49 1s6j h VAL 52 N 0.08 0.84 -6.96 2.04 -1.51 -1.80 -3.48 116.25 105.46 1s6j h VAL 52 Ca 0.74 -2.66 -0.58 0.00 -1.23 0.00 0.00 66.70 62.96 1s6j h VAL 52 Cb 1.78 2.45 -0.22 0.00 -2.13 0.00 0.00 31.29 33.16 1s6j h VAL 52 CO -0.76 0.56 -0.90 0.61 -1.23 0.00 0.00 177.57 175.85 1s6j n GLY 53 N 1.62 -0.15 0.00 5.19 0.00 0.66 -4.90 105.19 107.60 1s6j n GLY 53 Ca -0.19 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.62 0.00 -0.34 1.61 2.88 -1.26 -4.82 113.62 109.07 1s6j n SER 54 Ca -0.24 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.31 1s6j n SER 54 Cb 0.62 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.25 -2.76 -1.46 4.07 -1.26 -5.07 120.64 114.41 1s6j n GLU 55 Ca 0.00 -1.11 -0.42 0.00 -0.06 0.00 0.00 57.16 55.57 1s6j n GLU 55 Cb 0.00 -0.64 -0.03 0.00 -0.06 0.00 0.00 31.44 30.71 1s6j n GLU 55 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1s6j s LEU 56 N -0.38 4.22 0.46 4.31 1.02 -1.26 -5.03 118.68 122.02 1s6j s LEU 56 Ca 0.04 1.41 -0.20 0.00 0.02 0.00 0.00 54.13 55.40 1s6j s LEU 56 Cb 0.03 -3.44 -0.10 0.00 0.02 0.00 0.00 46.19 42.70 1s6j s LEU 56 CO 0.00 -0.43 0.96 -0.32 0.02 0.00 0.00 176.35 176.59 1s6j s MET 57 N 2.06 4.13 0.03 1.70 1.75 -1.26 -4.90 119.30 122.81 1s6j s MET 57 Ca 0.45 1.08 0.02 0.00 -1.25 0.00 0.00 55.69 55.98 1s6j s MET 57 Cb -0.18 -2.16 0.09 0.00 2.84 0.00 0.00 34.83 35.42 1s6j s MET 57 CO 0.16 -0.11 0.97 0.39 -0.65 0.00 0.00 175.02 175.78 1s6j n GLU 58 N -0.93 0.01 0.19 4.11 4.71 -1.26 -0.57 120.64 126.90 1s6j n GLU 58 Ca 0.07 0.44 0.08 0.00 -0.01 0.00 0.00 57.16 57.73 1s6j n GLU 58 Cb 0.54 -1.62 0.18 0.00 -1.01 0.00 0.00 31.44 29.53 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 0.00 1.51 1.62 0.02 -2.00 -2.89 113.55 111.81 1s6j h SER 59 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1s6j h SER 59 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1s6j h SER 59 CO 0.00 0.25 0.00 -0.08 -1.14 0.00 0.00 176.83 175.86 1s6j h GLU 60 N 0.00 0.00 0.05 3.45 4.57 -1.21 -1.98 114.58 119.46 1s6j h GLU 60 Ca -0.00 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.88 1s6j h GLU 60 Cb 1.10 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 1s6j h GLU 60 CO 0.03 0.00 -1.61 -0.89 -1.18 0.00 0.00 179.01 175.36 1s6j n ILE 61 N -2.57 1.63 0.01 2.32 2.08 -1.14 -3.66 119.36 118.03 1s6j n ILE 61 Ca 0.04 -0.29 -0.18 0.00 0.56 0.00 0.00 62.75 62.89 1s6j n ILE 61 Cb 0.43 -1.91 -0.12 0.00 -0.75 0.00 0.00 39.64 37.28 1s6j n ILE 61 CO 0.00 0.00 0.00 0.07 0.56 0.00 0.00 176.55 177.18 1s6j h LYS 62 N -0.58 0.35 0.00 0.38 5.09 -1.59 -0.81 116.57 119.40 1s6j h LYS 62 Ca -0.40 -0.43 -0.03 0.00 0.09 0.00 0.00 60.65 59.88 1s6j h LYS 62 Cb 1.60 0.14 -0.00 0.00 0.10 0.00 0.00 32.23 34.07 1s6j h LYS 62 CO -0.11 1.13 -0.12 0.22 -2.09 0.00 0.00 179.45 178.48 1s6j h ASP 63 N -0.24 0.00 0.92 7.07 3.58 -1.59 -1.47 116.42 124.70 1s6j h ASP 63 Ca -0.09 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.21 1s6j h ASP 63 Cb 1.39 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.41 1s6j h ASP 63 CO 0.12 0.12 -1.16 -0.07 -2.88 0.00 0.00 179.24 175.38 1s6j h LEU 64 N 0.00 0.00 -0.19 2.28 -0.00 -1.63 -2.92 115.31 112.85 1s6j h LEU 64 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 1s6j h LEU 64 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 1s6j h LEU 64 CO 0.02 0.56 -0.06 -0.03 -0.00 0.00 0.00 178.44 178.93 1s6j h MET 65 N 0.00 0.37 0.00 1.13 4.05 -0.12 -0.55 114.93 119.81 1s6j h MET 65 Ca -0.11 -0.15 -0.03 0.00 -0.28 0.00 0.00 59.70 59.13 1s6j h MET 65 Cb 1.53 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.31 1s6j h MET 65 CO 0.05 0.64 -0.12 0.38 0.23 0.00 0.00 176.91 178.09 1s6j h ASP 66 N 0.08 0.00 1.13 1.39 2.03 -1.53 -3.07 116.42 116.45 1s6j h ASP 66 Ca 0.05 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.18 1s6j h ASP 66 Cb 0.51 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.98 1s6j h ASP 66 CO 0.02 0.12 -0.90 0.00 -1.03 0.00 0.00 179.24 177.45 1s6j h ALA 67 N 1.88 0.55 0.09 4.15 0.00 -1.42 -3.37 119.26 121.15 1s6j h ALA 67 Ca -0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 1s6j h ALA 67 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1s6j h ALA 67 CO 0.02 0.98 -0.05 0.00 0.00 0.00 0.00 179.25 180.20 1s6j h ALA 68 N 1.26 -0.13 -2.02 0.00 0.00 -1.11 -3.43 119.26 113.83 1s6j h ALA 68 Ca -0.05 -0.19 -0.61 0.00 0.00 0.00 0.00 54.91 54.07 1s6j h ALA 68 Cb 1.61 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 19.33 1s6j h ALA 68 CO 0.09 -0.14 0.48 0.34 0.00 0.00 0.00 179.25 180.02 1s6j s ASP 69 N -5.60 6.51 0.33 0.00 2.15 -1.16 -4.48 116.67 114.41 1s6j s ASP 69 Ca -0.09 0.17 0.23 0.00 0.43 0.00 0.00 52.55 53.30 1s6j s ASP 69 Cb -0.00 -2.42 0.27 0.00 -0.30 0.00 0.00 42.92 40.46 1s6j s ASP 69 CO 0.31 -0.92 1.43 -0.29 -0.17 0.00 0.00 175.17 175.53 1s6j h ILE 70 N 5.95 0.00 0.00 4.11 6.09 -1.83 -3.28 117.51 128.55 1s6j h ILE 70 Ca -0.24 -0.93 0.00 0.00 -1.37 0.00 0.00 64.86 62.32 1s6j h ILE 70 Cb 1.08 1.74 0.00 0.00 0.47 0.00 0.00 36.82 40.12 1s6j h ILE 70 CO 0.98 0.00 0.00 -0.67 -3.07 0.00 0.00 178.15 175.39 1s6j n ASP 71 N -2.84 0.00 -2.68 2.19 2.03 -1.26 -4.79 116.55 109.19 1s6j n ASP 71 Ca 0.03 0.22 -0.11 0.00 0.52 0.00 0.00 54.79 55.45 1s6j n ASP 71 Cb 0.52 -0.28 -0.01 0.00 -0.72 0.00 0.00 41.12 40.64 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 -1.28 -2.63 -0.11 -0.67 4.76 -1.24 -4.78 118.16 112.22 1s6j n LYS 72 Ca 0.02 0.35 0.12 0.00 -2.87 0.00 0.00 58.31 55.93 1s6j n LYS 72 Cb 0.03 -4.94 0.17 0.00 -1.84 0.00 0.00 35.03 28.45 1s6j n LYS 72 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1s6j n SER 73 N -1.80 3.24 0.00 4.39 3.41 -1.26 -4.94 113.62 116.66 1s6j n SER 73 Ca -0.07 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 1s6j n SER 73 Cb 0.56 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 1.40 2.85 3.36 5.00 0.00 -1.26 -4.96 105.19 111.58 1s6j n GLY 74 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.73 3.12 -0.12 2.61 -4.23 -1.26 -4.26 115.64 109.77 1s6j s THR 75 Ca 0.00 -0.63 -0.07 0.00 -1.18 0.00 0.00 61.69 59.81 1s6j s THR 75 Cb 0.00 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1s6j s THR 75 CO 0.00 0.51 0.14 -0.51 -0.54 0.00 0.00 174.62 174.22 1s6j s ILE 76 N 0.55 5.51 0.16 2.99 2.07 -0.43 -4.90 121.20 127.14 1s6j s ILE 76 Ca -0.07 0.21 0.09 0.00 -1.41 0.00 0.00 60.65 59.46 1s6j s ILE 76 Cb -0.15 -3.40 -0.04 0.00 0.13 0.00 0.00 42.46 38.99 1s6j s ILE 76 CO 0.04 0.62 -0.12 -1.81 -1.91 0.00 0.00 174.94 171.75 1s6j s ASP 77 N -1.04 4.14 0.38 4.50 1.01 -1.26 -2.68 116.67 121.72 1s6j s ASP 77 Ca 0.15 -0.57 0.12 0.00 0.71 0.00 0.00 52.55 52.96 1s6j s ASP 77 Cb -0.12 -0.67 0.92 0.00 1.01 0.00 0.00 42.92 44.06 1s6j s ASP 77 CO 0.04 0.13 1.89 0.22 0.21 0.00 0.00 175.17 177.66 1s6j h TYR 78 N 3.19 0.68 0.00 4.23 3.20 -1.94 -0.08 116.97 126.25 1s6j h TYR 78 Ca -0.48 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.36 1s6j h TYR 78 Cb 1.19 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1s6j h TYR 78 CO 0.64 0.25 -0.26 0.78 -1.64 0.00 0.00 178.16 177.93 1s6j h GLY 79 N 0.57 0.00 0.26 1.82 0.00 -1.95 -3.21 103.07 100.56 1s6j h GLY 79 Ca 0.42 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.49 1s6j h GLY 79 CO -0.17 0.00 -1.37 0.83 0.00 0.00 0.00 176.54 175.83 1s6j h GLU 80 N 0.00 0.11 -1.04 4.80 5.08 -1.45 -3.35 114.58 118.73 1s6j h GLU 80 Ca -0.00 -0.19 0.29 0.00 -1.00 0.00 0.00 59.36 58.46 1s6j h GLU 80 Cb 0.72 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 29.91 1s6j h GLU 80 CO 0.03 1.09 0.63 0.35 -1.00 0.00 0.00 179.01 180.11 1s6j h PHE 81 N -0.62 0.87 -0.54 4.33 3.57 -1.29 0.22 116.94 123.49 1s6j h PHE 81 Ca -0.33 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.13 1s6j h PHE 81 Cb 1.54 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 1s6j h PHE 81 CO 0.11 -0.05 0.07 0.82 -2.23 0.00 0.00 178.31 177.03 1s6j h ILE 82 N 0.41 1.26 -0.27 1.41 2.04 -1.72 -2.40 117.51 118.24 1s6j h ILE 82 Ca 0.68 -0.99 0.08 0.00 1.00 0.00 0.00 64.86 65.63 1s6j h ILE 82 Cb 1.57 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1s6j h ILE 82 CO -0.48 0.36 0.26 0.00 0.00 0.00 0.00 178.15 178.29 1s6j h ALA 83 N 0.98 2.01 0.00 1.87 0.00 -0.69 -2.59 119.26 120.84 1s6j h ALA 83 Ca 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1s6j h ALA 83 Cb 0.44 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1s6j h ALA 83 CO 0.01 -0.40 -0.28 0.00 0.00 0.00 0.00 179.25 178.58 1s6j h ALA 84 N 1.74 0.05 -2.88 0.00 0.00 -1.27 -3.44 119.26 113.47 1s6j h ALA 84 Ca 0.13 -0.53 -0.70 0.00 0.00 0.00 0.00 54.91 53.80 1s6j h ALA 84 Cb 0.64 0.18 -0.25 0.00 0.00 0.00 0.00 17.79 18.37 1s6j h ALA 84 CO -0.00 0.18 -0.54 0.95 0.00 0.00 0.00 179.25 179.84 1s6j s THR 85 N -2.11 4.43 0.00 0.00 -4.23 -0.94 -4.80 115.64 107.98 1s6j s THR 85 Ca -0.17 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1s6j s THR 85 Cb -0.00 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1s6j s THR 85 CO 0.49 -0.18 0.00 0.55 -0.54 0.00 0.00 174.62 174.94 1s6j n VAL 86 N 4.96 0.00 -0.43 2.29 3.14 -1.25 -4.60 118.33 122.45 1s6j n VAL 86 Ca -0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1s6j n VAL 86 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 1s6j n VAL 86 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78