#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 3.66 0.00 0.26 1.04 -1.26 -4.94 113.70 112.47 1s6j s SER 2 Ca 0.00 2.04 0.26 0.00 0.48 0.00 0.00 55.95 58.73 1s6j s SER 2 Cb 0.00 -2.55 0.77 0.00 0.10 0.00 0.00 66.02 64.34 1s6j s SER 2 CO 0.00 -2.60 1.59 -0.24 0.98 0.00 0.00 173.24 172.96 1s6j n SER 3 N -3.84 1.98 0.00 7.02 2.88 -1.26 -4.91 113.62 115.49 1s6j n SER 3 Ca 0.11 -1.67 0.00 0.00 -1.33 0.00 0.00 58.87 55.98 1s6j n SER 3 Cb 0.52 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 1.23 0.89 2.40 0.46 0.00 -1.26 -4.87 105.19 104.04 1s6j n GLY 4 Ca 0.17 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 1.57 0.00 0.00 0.00 173.32 174.89 1s6j n HIS 5 N -2.00 1.29 -3.10 1.61 -0.00 -1.26 -5.02 115.22 106.74 1s6j n HIS 5 Ca 0.00 -1.89 -0.43 0.00 -0.00 0.00 0.00 57.72 55.40 1s6j n HIS 5 Cb 0.00 -0.24 -0.07 0.00 -0.00 0.00 0.00 29.99 29.68 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 -3.38 4.82 -0.01 3.57 -1.09 -1.26 -4.93 121.20 118.93 1s6j s ILE 6 Ca 0.33 0.13 -0.00 0.00 -2.23 0.00 0.00 60.65 58.88 1s6j s ILE 6 Cb 0.35 -4.21 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1s6j s ILE 6 CO -0.05 -0.60 1.74 -0.90 -1.23 0.00 0.00 174.94 173.91 1s6j n ASP 7 N 6.28 4.77 -0.66 3.58 5.68 -1.26 -3.27 116.55 131.66 1s6j n ASP 7 Ca -0.01 -2.32 0.04 0.00 -0.50 0.00 0.00 54.79 52.00 1s6j n ASP 7 Cb 0.48 -0.97 0.07 0.00 -1.14 0.00 0.00 41.12 39.56 1s6j n ASP 7 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1s6j n ASP 8 N 1.22 1.01 0.00 -1.12 9.92 -1.26 -4.22 116.55 122.09 1s6j n ASP 8 Ca 0.01 -2.51 0.00 0.00 -0.53 0.00 0.00 54.79 51.76 1s6j n ASP 8 Cb 0.50 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 1s6j n ASP 8 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1s6j n ASP 9 N -0.35 0.00 0.09 -2.24 2.03 -1.23 -4.91 116.55 109.93 1s6j n ASP 9 Ca 0.08 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.41 1s6j n ASP 9 Cb 0.80 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.17 1s6j n ASP 9 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1s6j h ASP 10 N 0.00 0.00 0.58 1.67 5.19 -1.95 -3.28 116.42 118.63 1s6j h ASP 10 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1s6j h ASP 10 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1s6j h ASP 10 CO 0.00 0.50 -0.41 0.29 -3.12 0.00 0.00 179.24 176.50 1s6j n LYS 11 N -3.03 0.01 0.13 3.56 4.76 -1.20 -3.90 118.16 118.48 1s6j n LYS 11 Ca -0.04 -0.01 -0.24 0.00 -2.87 0.00 0.00 58.31 55.16 1s6j n LYS 11 Cb 0.77 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 32.30 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 0.01 0.90 0.00 2.13 2.76 -1.73 -3.25 115.15 115.97 1s6j h HIS 12 Ca 0.00 -0.66 0.00 0.00 -2.20 0.00 0.00 60.37 57.51 1s6j h HIS 12 Cb 0.50 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1s6j h HIS 12 CO 0.00 1.59 0.00 -1.33 -1.30 0.00 0.00 177.93 176.89 1s6j n MET 13 N -3.68 0.03 -0.24 5.26 2.81 -1.25 -2.17 117.12 117.89 1s6j n MET 13 Ca -0.19 0.49 -0.08 0.00 -1.81 0.00 0.00 57.70 56.12 1s6j n MET 13 Cb 1.10 -1.58 0.04 0.00 -0.71 0.00 0.00 33.22 32.06 1s6j n MET 13 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s6j h ALA 14 N 2.06 0.87 -0.17 3.04 0.00 -1.74 -3.17 119.26 120.15 1s6j h ALA 14 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1s6j h ALA 14 Cb 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1s6j h ALA 14 CO 0.00 0.59 0.00 -0.85 0.00 0.00 0.00 179.25 178.99 1s6j n GLU 15 N -4.29 1.61 -0.12 0.00 0.00 -0.92 -4.58 120.64 112.34 1s6j n GLU 15 Ca 0.04 -1.56 -0.00 0.00 0.00 0.00 0.00 57.16 55.64 1s6j n GLU 15 Cb 0.25 -1.23 0.26 0.00 0.00 0.00 0.00 31.44 30.71 1s6j n GLU 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1s6j h ARG 16 N 2.07 0.79 -6.86 3.44 2.47 -1.45 -3.43 114.38 111.42 1s6j h ARG 16 Ca 0.00 -0.11 -0.53 0.00 -1.26 0.00 0.00 59.98 58.08 1s6j h ARG 16 Cb 0.58 -0.15 0.08 0.00 -1.65 0.00 0.00 29.97 28.84 1s6j h ARG 16 CO 0.00 0.63 0.77 -0.51 0.56 0.00 0.00 179.97 181.43 1s6j s LEU 17 N -9.48 4.36 -0.22 3.04 1.02 -1.26 -5.01 118.68 111.13 1s6j s LEU 17 Ca -0.10 2.88 -0.02 0.00 0.02 0.00 0.00 54.13 56.91 1s6j s LEU 17 Cb 0.16 -3.65 0.07 0.00 0.02 0.00 0.00 46.19 42.80 1s6j s LEU 17 CO 0.78 -0.78 0.05 -0.94 0.02 0.00 0.00 176.35 175.48 1s6j s SER 18 N 0.05 3.16 0.00 2.29 1.04 -1.26 -4.98 113.70 114.00 1s6j s SER 18 Ca 0.56 -1.00 0.02 0.00 0.48 0.00 0.00 55.95 56.01 1s6j s SER 18 Cb -0.45 -0.64 0.10 0.00 0.10 0.00 0.00 66.02 65.14 1s6j s SER 18 CO 0.53 -0.33 0.95 -1.84 0.98 0.00 0.00 173.24 173.53 1s6j n GLU 19 N 5.02 0.02 -0.33 4.02 0.00 -1.26 -3.36 120.64 124.74 1s6j n GLU 19 Ca -0.08 0.34 0.20 0.00 0.00 0.00 0.00 57.16 57.62 1s6j n GLU 19 Cb 0.46 -1.50 0.38 0.00 0.00 0.00 0.00 31.44 30.78 1s6j n GLU 19 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1s6j h GLU 20 N 0.00 0.02 -0.04 3.44 4.81 -1.91 -1.53 114.58 119.37 1s6j h GLU 20 Ca 0.00 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 1s6j h GLU 20 Cb 0.03 -0.01 -0.24 0.00 0.63 0.00 0.00 28.75 29.16 1s6j h GLU 20 CO 0.00 0.01 -0.82 0.39 -0.73 0.00 0.00 179.01 177.86 1s6j n GLU 21 N -5.40 0.83 -0.08 1.92 4.71 -1.21 -4.21 120.64 117.18 1s6j n GLU 21 Ca 0.27 -2.66 -0.08 0.00 -0.01 0.00 0.00 57.16 54.68 1s6j n GLU 21 Cb 0.91 -0.79 -0.03 0.00 -1.01 0.00 0.00 31.44 30.52 1s6j n GLU 21 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1s6j n ILE 22 N -0.23 1.47 -0.04 -3.67 2.08 -0.58 -4.62 119.36 113.78 1s6j n ILE 22 Ca 0.12 0.15 -0.03 0.00 0.56 0.00 0.00 62.75 63.55 1s6j n ILE 22 Cb 0.95 -2.35 -0.01 0.00 -0.75 0.00 0.00 39.64 37.48 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 1.51 -0.60 0.27 7.39 0.00 -1.25 -4.61 105.19 107.91 1s6j n GLY 23 Ca -0.13 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.84 1s6j n GLY 23 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s6j h GLY 24 N -0.44 0.19 -0.60 -0.02 0.00 -1.89 -3.05 103.07 97.28 1s6j h GLY 24 Ca 0.00 -0.08 0.22 0.00 0.00 0.00 0.00 47.33 47.47 1s6j h GLY 24 CO 0.00 0.08 1.09 -2.00 0.00 0.00 0.00 176.54 175.70 1s6j h LEU 25 N 0.18 0.00 0.00 3.11 5.85 -1.81 0.34 115.31 122.97 1s6j h LEU 25 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1s6j h LEU 25 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1s6j h LEU 25 CO -0.00 0.00 -0.10 1.17 -0.34 0.00 0.00 178.44 179.17 1s6j n LYS 26 N -3.13 0.08 -0.01 1.25 4.81 -1.15 -4.24 118.16 115.77 1s6j n LYS 26 Ca 0.17 0.28 -0.01 0.00 -0.87 0.00 0.00 58.31 57.88 1s6j n LYS 26 Cb 1.32 -0.91 -0.00 0.00 0.02 0.00 0.00 35.03 35.46 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 -0.18 0.00 0.37 1.64 5.08 -1.68 -3.38 114.58 116.41 1s6j h GLU 27 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1s6j h GLU 27 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1s6j h GLU 27 CO 0.00 0.00 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.76 1s6j h LEU 28 N -0.17 -0.42 -0.89 1.33 -0.00 -1.82 -2.14 115.31 111.20 1s6j h LEU 28 Ca 0.00 0.01 0.24 0.00 -0.00 0.00 0.00 57.88 58.13 1s6j h LEU 28 Cb 0.08 0.11 -0.16 0.00 -0.00 0.00 0.00 40.66 40.69 1s6j h LEU 28 CO 0.00 -0.30 0.10 0.15 -0.00 0.00 0.00 178.44 178.39 1s6j h PHE 29 N -0.50 0.10 0.00 1.13 3.57 -0.63 0.46 116.94 121.07 1s6j h PHE 29 Ca -0.05 0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 1s6j h PHE 29 Cb 0.38 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1s6j h PHE 29 CO 0.15 -0.31 -0.51 0.87 -2.23 0.00 0.00 178.31 176.27 1s6j h LYS 30 N 0.10 0.00 0.00 1.11 1.79 -1.65 -2.67 116.57 115.25 1s6j h LYS 30 Ca 0.54 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 1s6j h LYS 30 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1s6j h LYS 30 CO -0.77 0.51 -0.70 -0.12 -1.08 0.00 0.00 179.45 177.29 1s6j n MET 31 N -3.89 0.27 -0.02 3.15 1.56 0.11 -4.07 117.12 114.24 1s6j n MET 31 Ca -0.01 0.06 -0.05 0.00 -0.27 0.00 0.00 57.70 57.42 1s6j n MET 31 Cb 0.53 -1.65 -0.13 0.00 2.15 0.00 0.00 33.22 34.12 1s6j n MET 31 CO 0.00 0.00 0.00 1.51 -0.73 0.00 0.00 175.97 176.75 1s6j n ILE 32 N -2.03 1.37 -3.13 1.12 3.06 0.12 -4.85 119.36 115.02 1s6j n ILE 32 Ca 0.03 -0.76 -0.40 0.00 -2.50 0.00 0.00 62.75 59.12 1s6j n ILE 32 Cb 0.43 -0.79 -0.06 0.00 0.54 0.00 0.00 39.64 39.76 1s6j n ILE 32 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1s6j s ASP 33 N -5.81 6.73 0.31 9.51 2.15 -1.02 -4.91 116.67 123.62 1s6j s ASP 33 Ca -0.05 0.88 0.24 0.00 0.43 0.00 0.00 52.55 54.04 1s6j s ASP 33 Cb 0.08 -2.35 1.12 0.00 -0.30 0.00 0.00 42.92 41.47 1s6j s ASP 33 CO 0.83 -0.22 1.71 0.74 -0.17 0.00 0.00 175.17 178.06 1s6j h THR 34 N 5.08 0.00 0.00 1.71 2.02 -1.89 -1.78 112.91 118.06 1s6j h THR 34 Ca -0.34 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1s6j h THR 34 Cb 1.15 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1s6j h THR 34 CO 0.77 0.00 -1.94 0.47 0.37 0.00 0.00 175.52 175.19 1s6j n ASP 35 N -2.30 0.17 -1.56 4.18 8.00 -1.26 -4.95 116.55 118.83 1s6j n ASP 35 Ca 0.00 -0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.38 1s6j n ASP 35 Cb 0.14 1.95 -0.03 0.00 -0.02 0.00 0.00 41.12 43.15 1s6j n ASP 35 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1s6j n ASN 36 N -2.22 -2.81 0.10 -2.24 3.02 -0.67 -4.71 115.26 105.73 1s6j n ASN 36 Ca -0.04 0.25 0.12 0.00 -0.03 0.00 0.00 54.58 54.89 1s6j n ASN 36 Cb 0.55 -2.66 0.24 0.00 -0.61 0.00 0.00 39.78 37.29 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 -1.92 -3.47 113.55 119.21 1s6j h SER 37 Ca -0.21 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 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 0.30 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.91 1s6j n GLY 38 N 1.29 1.62 3.64 -0.77 0.00 -1.26 -5.10 105.19 104.60 1s6j n GLY 38 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1s6j n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s6j s THR 39 N -2.00 0.00 0.09 2.61 2.01 -1.26 -5.02 115.64 112.07 1s6j s THR 39 Ca 0.00 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.03 1s6j s THR 39 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1s6j s THR 39 CO 0.00 0.00 0.10 -0.63 -0.69 0.00 0.00 174.62 173.40 1s6j s ILE 40 N 1.22 4.61 0.20 1.82 1.01 -1.06 -4.80 121.20 124.21 1s6j s ILE 40 Ca -0.07 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.83 1s6j s ILE 40 Cb -0.05 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1s6j s ILE 40 CO -0.14 0.10 0.02 -0.89 0.00 0.00 0.00 174.94 174.03 1s6j s THR 41 N -1.45 0.75 0.08 2.92 2.01 -1.26 0.39 115.64 119.08 1s6j s THR 41 Ca 0.30 -2.00 -0.29 0.00 0.31 0.00 0.00 61.69 60.01 1s6j s THR 41 Cb -0.12 -2.27 -0.17 0.00 0.01 0.00 0.00 72.50 69.95 1s6j s THR 41 CO 0.23 -0.35 1.67 0.15 -0.69 0.00 0.00 174.62 175.62 1s6j h PHE 42 N 2.58 -0.55 -0.45 4.92 3.57 -1.94 2.76 116.94 127.83 1s6j h PHE 42 Ca -0.37 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.25 1s6j h PHE 42 Cb 1.22 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.13 1s6j h PHE 42 CO 0.53 -0.34 0.32 0.22 -2.23 0.00 0.00 178.31 176.82 1s6j h ASP 43 N -0.57 0.00 0.92 0.41 3.58 -1.98 0.55 116.42 119.33 1s6j h ASP 43 Ca -0.05 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.32 1s6j h ASP 43 Cb 0.45 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1s6j h ASP 43 CO 0.08 0.00 -1.13 -0.33 -2.88 0.00 0.00 179.24 174.97 1s6j h GLU 44 N 0.00 0.00 0.38 0.28 5.08 -1.76 -3.29 114.58 115.27 1s6j h GLU 44 Ca 0.21 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1s6j h GLU 44 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1s6j h GLU 44 CO -0.00 0.16 -0.18 1.25 -1.00 0.00 0.00 179.01 179.23 1s6j h LEU 45 N 0.00 -0.44 -1.17 1.33 5.85 1.01 -2.73 115.31 119.16 1s6j h LEU 45 Ca -0.08 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.76 1s6j h LEU 45 Cb 1.29 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.36 1s6j h LEU 45 CO 0.02 -0.21 0.59 0.07 -0.34 0.00 0.00 178.44 178.57 1s6j h LYS 46 N -0.71 0.88 0.00 1.25 2.10 -1.35 0.21 116.57 118.95 1s6j h LYS 46 Ca -0.05 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1s6j h LYS 46 Cb 0.39 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1s6j h LYS 46 CO 0.09 0.58 0.00 0.22 -2.00 0.00 0.00 179.45 178.34 1s6j h ASP 47 N 0.90 0.00 0.12 7.07 1.82 -1.62 0.61 116.42 125.32 1s6j h ASP 47 Ca 0.43 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.73 1s6j h ASP 47 Cb 0.43 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 1s6j h ASP 47 CO -0.19 0.00 -1.83 1.23 -1.61 0.00 0.00 179.24 176.84 1s6j h GLY 48 N 1.33 0.30 2.00 -0.78 0.00 -0.28 -1.84 103.07 103.79 1s6j h GLY 48 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 1s6j h GLY 48 CO 0.00 0.67 -0.03 -2.00 0.00 0.00 0.00 176.54 175.18 1s6j h LEU 49 N -0.07 0.00 0.13 3.11 6.46 -0.93 -3.10 115.31 120.91 1s6j h LEU 49 Ca -0.39 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.05 1s6j h LEU 49 Cb 1.95 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.87 1s6j h LEU 49 CO 0.07 0.03 -1.58 0.50 -0.62 0.00 0.00 178.44 176.84 1s6j h LYS 50 N 0.00 0.27 -0.90 1.25 1.63 0.11 -3.18 116.57 115.75 1s6j h LYS 50 Ca -0.00 -0.46 0.26 0.00 -0.85 0.00 0.00 60.65 59.59 1s6j h LYS 50 Cb 0.88 0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 32.64 1s6j h LYS 50 CO 0.00 1.14 0.64 -0.09 -3.45 0.00 0.00 179.45 177.69 1s6j h ARG 51 N 0.07 0.05 0.01 1.90 2.43 -1.24 0.19 114.38 117.79 1s6j h ARG 51 Ca -0.27 -0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.61 1s6j h ARG 51 Cb 2.03 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 31.53 1s6j h ARG 51 CO 0.16 0.03 -1.65 -0.39 -1.51 0.00 0.00 179.97 176.61 1s6j h VAL 52 N 0.05 0.93 -4.21 0.20 -1.51 -1.66 -3.49 116.25 106.56 1s6j h VAL 52 Ca 0.44 -2.76 -0.21 0.00 -1.23 0.00 0.00 66.70 62.94 1s6j h VAL 52 Cb 1.66 2.48 0.10 0.00 -2.13 0.00 0.00 31.29 33.40 1s6j h VAL 52 CO -0.03 0.57 -0.47 0.61 -1.23 0.00 0.00 177.57 177.02 1s6j n GLY 53 N 1.56 -0.04 0.00 5.19 0.00 0.67 -5.02 105.19 107.54 1s6j n GLY 53 Ca -0.16 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.21 0.00 -1.98 1.61 7.64 -1.26 -4.98 113.62 112.45 1s6j n SER 54 Ca -0.16 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.71 1s6j n SER 54 Cb 0.60 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.82 1s6j n SER 54 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1s6j n GLU 55 N 0.00 0.31 -4.07 1.43 0.28 -1.26 -5.16 120.64 112.17 1s6j n GLU 55 Ca 0.00 -0.40 -0.28 0.00 -0.16 0.00 0.00 57.16 56.32 1s6j n GLU 55 Cb 0.00 0.07 -0.02 0.00 1.43 0.00 0.00 31.44 32.92 1s6j n GLU 55 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1s6j s LEU 56 N -1.27 2.60 -0.20 -1.84 1.43 -1.26 -5.12 118.68 113.02 1s6j s LEU 56 Ca 0.03 -1.34 -0.06 0.00 -1.03 0.00 0.00 54.13 51.73 1s6j s LEU 56 Cb 0.10 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 1s6j s LEU 56 CO -0.03 -1.07 0.02 -0.32 0.23 0.00 0.00 176.35 175.19 1s6j s MET 57 N -4.20 3.70 0.05 1.70 -2.45 -1.26 -4.95 119.30 111.88 1s6j s MET 57 Ca 0.28 -0.48 0.02 0.00 -1.25 0.00 0.00 55.69 54.25 1s6j s MET 57 Cb -0.02 -3.14 0.09 0.00 1.25 0.00 0.00 34.83 33.01 1s6j s MET 57 CO 0.17 0.04 0.83 -0.85 1.05 0.00 0.00 175.02 176.26 1s6j n GLU 58 N 4.18 0.01 -0.09 4.11 0.00 -1.26 -1.00 120.64 126.59 1s6j n GLU 58 Ca -0.17 0.30 -0.12 0.00 0.00 0.00 0.00 57.16 57.18 1s6j n GLU 58 Cb 0.52 -1.79 -0.04 0.00 0.00 0.00 0.00 31.44 30.13 1s6j n GLU 58 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1s6j h SER 59 N 0.00 0.54 0.82 -1.84 0.02 -2.02 -2.69 113.55 108.38 1s6j h SER 59 Ca 0.00 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1s6j h SER 59 Cb 0.51 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1s6j h SER 59 CO 0.00 0.78 -0.00 -0.08 -1.14 0.00 0.00 176.83 176.38 1s6j h GLU 60 N 0.29 0.00 -0.33 3.45 4.81 -1.49 -2.71 114.58 118.59 1s6j h GLU 60 Ca 0.07 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 1s6j h GLU 60 Cb 0.54 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1s6j h GLU 60 CO 0.03 0.00 -0.35 0.82 -0.73 0.00 0.00 179.01 178.78 1s6j h ILE 61 N 0.00 1.28 -0.09 2.32 2.04 -1.57 0.22 117.51 121.71 1s6j h ILE 61 Ca -0.00 -1.50 -0.19 0.00 1.00 0.00 0.00 64.86 64.17 1s6j h ILE 61 Cb 0.41 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1s6j h ILE 61 CO 0.00 0.49 -0.73 0.07 0.00 0.00 0.00 178.15 177.98 1s6j h LYS 62 N 0.63 0.48 0.00 2.37 5.09 -1.42 -2.24 116.57 121.48 1s6j h LYS 62 Ca 0.06 -0.39 -0.08 0.00 0.09 0.00 0.00 60.65 60.33 1s6j h LYS 62 Cb 0.88 0.08 -0.01 0.00 0.10 0.00 0.00 32.23 33.28 1s6j h LYS 62 CO 0.08 1.02 -0.40 -0.44 -2.09 0.00 0.00 179.45 177.62 1s6j h ASP 63 N 0.33 0.00 0.78 7.07 5.19 -1.47 -2.67 116.42 125.65 1s6j h ASP 63 Ca -0.03 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.22 1s6j h ASP 63 Cb 1.32 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.81 1s6j h ASP 63 CO 0.13 0.40 -0.72 0.25 -3.12 0.00 0.00 179.24 176.18 1s6j h LEU 64 N 0.00 0.00 0.10 1.55 5.85 -0.42 -2.39 115.31 120.01 1s6j h LEU 64 Ca -0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.52 1s6j h LEU 64 Cb 1.25 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.29 1s6j h LEU 64 CO 0.05 0.72 -0.93 -0.03 -0.34 0.00 0.00 178.44 177.91 1s6j h MET 65 N 0.00 0.22 0.21 1.25 4.05 -1.38 -3.14 114.93 116.15 1s6j h MET 65 Ca -0.01 -0.38 -0.01 0.00 -0.28 0.00 0.00 59.70 59.02 1s6j h MET 65 Cb 1.30 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.25 1s6j h MET 65 CO 0.09 1.18 -0.10 0.22 0.23 0.00 0.00 176.91 178.53 1s6j h ASP 66 N -0.48 -0.24 0.31 1.39 3.58 -1.56 -1.03 116.42 118.40 1s6j h ASP 66 Ca -0.19 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1s6j h ASP 66 Cb 1.57 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.69 1s6j h ASP 66 CO 0.08 -0.02 0.00 0.00 -2.88 0.00 0.00 179.24 176.41 1s6j n ALA 67 N -2.31 1.67 -0.11 -0.78 0.00 -0.90 -3.07 120.51 115.00 1s6j n ALA 67 Ca -0.09 -0.05 -0.25 0.00 0.00 0.00 0.00 53.44 53.04 1s6j n ALA 67 Cb 0.19 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.33 1s6j n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6j n ALA 68 N -1.37 1.01 -2.60 0.00 0.00 -0.96 -4.87 120.51 111.71 1s6j n ALA 68 Ca 0.05 -0.80 -0.40 0.00 0.00 0.00 0.00 53.44 52.29 1s6j n ALA 68 Cb 0.12 -0.24 -0.08 0.00 0.00 0.00 0.00 19.45 19.24 1s6j n ALA 68 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s6j s ASP 69 N -7.13 6.31 0.35 0.00 2.15 -0.43 -3.77 116.67 114.15 1s6j s ASP 69 Ca -0.33 0.26 0.23 0.00 0.43 0.00 0.00 52.55 53.14 1s6j s ASP 69 Cb 0.10 -2.24 0.23 0.00 -0.30 0.00 0.00 42.92 40.71 1s6j s ASP 69 CO 0.56 -0.28 1.41 -0.29 -0.17 0.00 0.00 175.17 176.40 1s6j h ILE 70 N 5.44 0.00 0.00 4.11 2.10 -1.79 -3.22 117.51 124.16 1s6j h ILE 70 Ca -0.30 -0.99 0.00 0.00 1.08 0.00 0.00 64.86 64.65 1s6j h ILE 70 Cb 1.15 1.81 0.00 0.00 -1.09 0.00 0.00 36.82 38.68 1s6j h ILE 70 CO 0.69 0.00 0.00 -0.67 -1.08 0.00 0.00 178.15 177.09 1s6j n ASP 71 N -2.93 0.39 -2.22 2.19 2.03 -1.26 -4.81 116.55 109.94 1s6j n ASP 71 Ca 0.03 0.64 -0.07 0.00 0.52 0.00 0.00 54.79 55.91 1s6j n ASP 71 Cb 0.53 -0.70 -0.01 0.00 -0.72 0.00 0.00 41.12 40.22 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 -1.98 -2.28 0.00 -0.67 4.76 -1.22 -4.75 118.16 112.03 1s6j n LYS 72 Ca 0.01 0.36 0.13 0.00 -2.87 0.00 0.00 58.31 55.93 1s6j n LYS 72 Cb 0.10 -4.83 0.31 0.00 -1.84 0.00 0.00 35.03 28.77 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 -1.30 1.93 0.00 4.39 3.41 -1.26 -4.93 113.62 115.86 1s6j n SER 73 Ca -0.08 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 1s6j n SER 73 Cb 0.50 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 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 1.28 2.60 3.43 5.00 0.00 -1.26 -5.01 105.19 111.23 1s6j n GLY 74 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.19 3.60 -0.08 2.61 -4.23 -1.26 -3.02 115.64 111.07 1s6j s THR 75 Ca 0.00 -0.45 -0.08 0.00 -1.18 0.00 0.00 61.69 59.97 1s6j s THR 75 Cb 0.00 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 1s6j s THR 75 CO 0.00 0.48 0.20 -0.51 -0.54 0.00 0.00 174.62 174.26 1s6j s ILE 76 N 0.62 5.39 0.11 2.99 1.10 0.16 -4.88 121.20 126.70 1s6j s ILE 76 Ca -0.04 0.32 0.06 0.00 -0.51 0.00 0.00 60.65 60.49 1s6j s ILE 76 Cb -0.15 -3.48 -0.04 0.00 0.15 0.00 0.00 42.46 38.95 1s6j s ILE 76 CO 0.03 0.58 -0.16 -1.81 -2.11 0.00 0.00 174.94 171.47 1s6j s ASP 77 N -1.12 2.09 0.27 4.50 1.01 -1.26 -2.55 116.67 119.60 1s6j s ASP 77 Ca 0.18 -0.75 0.18 0.00 0.71 0.00 0.00 52.55 52.87 1s6j s ASP 77 Cb -0.13 -0.09 0.98 0.00 1.01 0.00 0.00 42.92 44.70 1s6j s ASP 77 CO 0.07 -0.08 1.56 -1.22 0.21 0.00 0.00 175.17 175.71 1s6j n TYR 78 N 0.77 0.62 0.02 4.23 4.02 -1.26 -0.33 117.16 125.23 1s6j n TYR 78 Ca -0.17 0.32 -0.22 0.00 -0.01 0.00 0.00 57.90 57.82 1s6j n TYR 78 Cb 0.56 -1.01 -0.14 0.00 -0.02 0.00 0.00 39.34 38.72 1s6j n TYR 78 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1s6j h GLY 79 N 0.08 0.34 1.19 2.72 0.00 -1.86 -3.36 103.07 102.17 1s6j h GLY 79 Ca 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 47.33 46.44 1s6j h GLY 79 CO 0.00 0.76 -0.88 0.83 0.00 0.00 0.00 176.54 177.24 1s6j h GLU 80 N -0.01 0.00 0.59 4.80 5.08 -1.77 -3.17 114.58 120.11 1s6j h GLU 80 Ca -0.38 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 1s6j h GLU 80 Cb 1.99 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.25 1s6j h GLU 80 CO 0.10 0.05 -0.28 0.35 -1.00 0.00 0.00 179.01 178.23 1s6j h PHE 81 N 0.00 -0.74 0.00 4.33 3.57 -0.77 -2.83 116.94 120.50 1s6j h PHE 81 Ca -0.02 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1s6j h PHE 81 Cb 1.09 0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.07 1s6j h PHE 81 CO 0.00 -0.45 0.00 0.97 -2.23 0.00 0.00 178.31 176.60 1s6j h ILE 82 N -0.83 0.00 -0.72 1.41 6.09 -1.73 -3.19 117.51 118.54 1s6j h ILE 82 Ca -0.08 -0.74 0.21 0.00 -1.37 0.00 0.00 64.86 62.87 1s6j h ILE 82 Cb 0.62 1.73 -0.03 0.00 0.47 0.00 0.00 36.82 39.62 1s6j h ILE 82 CO 0.13 0.00 0.52 0.00 -3.07 0.00 0.00 178.15 175.74 1s6j h ALA 83 N 2.05 2.67 -2.22 0.18 0.00 -1.46 -2.90 119.26 117.57 1s6j h ALA 83 Ca 0.00 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.29 1s6j h ALA 83 Cb 0.77 0.05 -0.41 0.00 0.00 0.00 0.00 17.79 18.20 1s6j h ALA 83 CO 0.00 -0.89 -0.72 0.00 0.00 0.00 0.00 179.25 177.64 1s6j n ALA 84 N -2.67 3.62 0.00 0.00 0.00 -1.21 -4.74 120.51 115.51 1s6j n ALA 84 Ca 0.14 -4.40 0.00 0.00 0.00 0.00 0.00 53.44 49.19 1s6j n ALA 84 Cb 0.79 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 1.11 0.00 -1.70 0.00 -1.04 -1.10 -4.94 114.28 106.61 1s6j n THR 85 Ca 0.27 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.88 1s6j n THR 85 Cb 0.43 -0.01 0.02 0.00 -1.82 0.00 0.00 70.33 68.95 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 -0.51 2.84 0.69 12.58 0.24 -1.26 -5.17 118.33 127.75 1s6j n VAL 86 Ca 0.00 -0.50 0.08 0.00 -2.04 0.00 0.00 64.34 61.88 1s6j n VAL 86 Cb 0.01 -1.57 0.07 0.00 -1.47 0.00 0.00 33.84 30.88 1s6j n VAL 86 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26