#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r7j s LYS 4 N 0.00 4.20 0.77 1.64 1.02 -1.26 -5.05 119.74 121.06 1r7j s LYS 4 Ca 0.00 1.60 -0.10 0.00 0.02 0.00 0.00 55.97 57.49 1r7j s LYS 4 Cb 0.00 -2.65 0.07 0.00 -0.52 0.00 0.00 37.83 34.74 1r7j s LYS 4 CO 0.00 -0.13 1.12 -1.54 -0.92 0.00 0.00 175.35 173.88 1r7j s SER 5 N -1.40 4.60 0.23 2.83 1.04 -1.26 -4.81 113.70 114.92 1r7j s SER 5 Ca 0.56 0.65 -0.07 0.00 0.48 0.00 0.00 55.95 57.56 1r7j s SER 5 Cb -0.25 -1.19 0.28 0.00 0.10 0.00 0.00 66.02 64.96 1r7j s SER 5 CO 0.31 -1.80 1.84 0.50 0.98 0.00 0.00 173.24 175.07 1r7j h LYS 6 N -0.89 0.86 -0.31 4.02 3.64 -1.99 0.33 116.57 122.22 1r7j h LYS 6 Ca -0.45 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 58.79 1r7j h LYS 6 Cb 1.32 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1r7j h LYS 6 CO 0.63 0.57 -0.17 1.25 -2.27 0.00 0.00 179.45 179.46 1r7j h LEU 7 N 0.89 0.56 -0.69 5.20 5.85 -1.99 -0.90 115.31 124.23 1r7j h LEU 7 Ca 0.33 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 1r7j h LEU 7 Cb 0.13 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1r7j h LEU 7 CO -0.16 0.74 -0.43 -0.33 -0.34 0.00 0.00 178.44 177.93 1r7j h GLU 8 N 0.51 0.51 -0.03 1.25 5.08 -1.65 0.23 114.58 120.49 1r7j h GLU 8 Ca 0.09 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1r7j h GLU 8 Cb 0.59 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1r7j h GLU 8 CO 0.04 0.84 0.00 0.82 -1.00 0.00 0.00 179.01 179.72 1r7j h ILE 9 N 0.42 1.22 -0.59 3.13 2.04 -0.56 -1.32 117.51 121.85 1r7j h ILE 9 Ca 0.03 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.26 1r7j h ILE 9 Cb 0.92 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.58 1r7j h ILE 9 CO 0.08 0.18 0.35 0.40 0.00 0.00 0.00 178.15 179.16 1r7j h ILE 10 N -0.22 1.05 -0.80 -0.67 2.04 -1.05 -1.66 117.51 116.19 1r7j h ILE 10 Ca 0.01 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1r7j h ILE 10 Cb 0.28 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1r7j h ILE 10 CO 0.00 0.13 0.53 -0.61 0.00 0.00 0.00 178.15 178.20 1r7j h GLN 11 N 0.69 1.06 -0.98 2.37 4.15 -0.81 -0.88 115.11 120.69 1r7j h GLN 11 Ca 0.24 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.61 1r7j h GLN 11 Cb 0.05 -0.24 -0.05 0.00 0.21 0.00 0.00 27.48 27.45 1r7j h GLN 11 CO -0.11 0.70 0.65 0.00 -1.93 0.00 0.00 178.83 178.13 1r7j h ALA 12 N 1.30 1.25 -0.24 3.38 0.00 -0.55 0.70 119.26 125.10 1r7j h ALA 12 Ca 0.29 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1r7j h ALA 12 Cb -0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.26 1r7j h ALA 12 CO -0.06 0.65 0.00 0.82 0.00 0.00 0.00 179.25 180.65 1r7j h ILE 13 N 1.34 1.25 -0.68 0.00 2.04 -0.70 -2.40 117.51 118.37 1r7j h ILE 13 Ca 0.36 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 1r7j h ILE 13 Cb -0.15 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1r7j h ILE 13 CO -0.08 0.28 0.16 -0.07 0.00 0.00 0.00 178.15 178.44 1r7j h LEU 14 N 0.19 1.02 -0.96 1.44 3.38 -0.82 -1.60 115.31 117.96 1r7j h LEU 14 Ca 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1r7j h LEU 14 Cb 0.41 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1r7j h LEU 14 CO 0.01 0.98 0.52 -0.33 0.09 0.00 0.00 178.44 179.71 1r7j h GLU 15 N 1.02 1.25 -0.45 1.13 4.39 -0.79 -0.33 114.58 120.79 1r7j h GLU 15 Ca 0.21 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 1r7j h GLU 15 Cb 0.36 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1r7j h GLU 15 CO 0.00 0.89 -0.24 0.00 -1.16 0.00 0.00 179.01 178.51 1r7j h ALA 16 N 1.31 0.72 0.00 3.43 0.00 -1.06 -3.01 119.26 120.66 1r7j h ALA 16 Ca 0.32 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1r7j h ALA 16 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1r7j h ALA 16 CO -0.06 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1r7j h LYS 18 N 0.00 0.49 -0.34 0.00 3.64 -0.93 -1.40 116.57 118.03 1r7j h LYS 18 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1r7j h LYS 18 Cb 0.59 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1r7j h LYS 18 CO 0.00 0.32 0.00 -1.13 -2.27 0.00 0.00 179.45 176.37 1r7j n SER 19 N -4.96 3.20 -0.01 4.20 3.41 -1.24 -4.74 113.62 113.48 1r7j n SER 19 Ca 0.18 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 1r7j n SER 19 Cb 0.51 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1r7j n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r7j n GLY 20 N 0.30 -0.39 3.37 5.00 0.00 -0.54 -5.08 105.19 107.85 1r7j n GLY 20 Ca 0.14 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 1r7j n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r7j s SER 21 N -0.41 -0.44 0.74 1.61 0.15 -0.39 -4.80 113.70 110.17 1r7j s SER 21 Ca 0.00 0.67 -0.12 0.00 0.70 0.00 0.00 55.95 57.20 1r7j s SER 21 Cb 0.00 0.71 0.04 0.00 -1.71 0.00 0.00 66.02 65.05 1r7j s SER 21 CO 0.00 -0.34 1.12 -2.16 1.20 0.00 0.00 173.24 173.07 1r7j s PRO 22 N -0.49 2.54 0.22 5.44 0.04 -1.26 -0.63 135.00 140.85 1r7j s PRO 22 Ca -0.06 0.36 -0.09 0.00 0.04 0.00 0.00 61.00 61.25 1r7j s PRO 22 Cb -0.03 -1.99 0.23 0.00 0.04 0.00 0.00 34.50 32.75 1r7j s PRO 22 CO 0.03 -1.24 1.85 -0.22 0.04 0.00 0.00 177.00 177.46 1r7j h LYS 23 N -0.80 0.88 -0.74 4.56 3.64 -1.98 -2.62 116.57 119.51 1r7j h LYS 23 Ca -0.45 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1r7j h LYS 23 Cb 1.28 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 1r7j h LYS 23 CO 0.64 0.58 0.46 1.79 -2.27 0.00 0.00 179.45 180.66 1r7j h THR 24 N 0.91 1.20 -0.61 1.00 1.35 -1.96 -0.19 112.91 114.62 1r7j h THR 24 Ca 0.31 -0.42 -0.10 0.00 -0.55 0.00 0.00 66.41 65.66 1r7j h THR 24 Cb 0.06 0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 66.59 1r7j h THR 24 CO -0.13 0.20 -0.01 -0.09 -0.25 0.00 0.00 175.52 175.25 1r7j h ARG 25 N 1.02 1.08 -0.52 4.72 2.43 -1.85 -2.06 114.38 119.20 1r7j h ARG 25 Ca 0.27 -0.35 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1r7j h ARG 25 Cb -0.07 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1r7j h ARG 25 CO -0.05 1.06 0.16 0.82 -1.51 0.00 0.00 179.97 180.45 1r7j h ILE 26 N 0.98 1.23 -0.12 1.20 2.04 -1.12 -0.94 117.51 120.78 1r7j h ILE 26 Ca 0.17 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.29 1r7j h ILE 26 Cb 0.58 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1r7j h ILE 26 CO 0.03 0.29 -0.10 -0.03 0.00 0.00 0.00 178.15 178.34 1r7j h MET 27 N 0.71 -0.12 -0.13 2.37 4.05 -0.75 -1.01 114.93 120.05 1r7j h MET 27 Ca 0.17 0.01 -0.15 0.00 -0.28 0.00 0.00 59.70 59.44 1r7j h MET 27 Cb 0.28 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1r7j h MET 27 CO -0.01 -0.08 -0.57 1.88 0.23 0.00 0.00 176.91 178.36 1r7j h TYR 28 N -0.12 0.53 -0.63 1.39 0.05 -1.31 -0.90 116.97 115.97 1r7j h TYR 28 Ca 0.08 -0.19 -0.06 0.00 0.05 0.00 0.00 58.73 58.61 1r7j h TYR 28 Cb 0.24 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 1r7j h TYR 28 CO -0.22 0.89 0.16 0.78 -1.05 0.00 0.00 178.16 178.72 1r7j h GLY 29 N 1.22 1.07 -0.54 3.88 0.00 -0.88 -2.72 103.07 105.09 1r7j h GLY 29 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1r7j h GLY 29 CO 0.10 0.60 -0.21 0.00 0.00 0.00 0.00 176.54 177.03 1r7j n ALA 30 N -2.46 2.98 -3.61 3.60 0.00 -0.41 -4.89 120.51 115.72 1r7j n ALA 30 Ca 0.05 -0.51 -0.22 0.00 0.00 0.00 0.00 53.44 52.75 1r7j n ALA 30 Cb 0.24 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 18.72 1r7j n ALA 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1r7j n ASN 31 N -0.01 -2.97 -4.48 0.00 5.15 -0.43 -4.90 115.26 107.63 1r7j n ASN 31 Ca 0.13 -0.84 -0.24 0.00 -0.60 0.00 0.00 54.58 53.04 1r7j n ASN 31 Cb 0.41 -4.14 -0.10 0.00 -0.53 0.00 0.00 39.78 35.42 1r7j n ASN 31 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1r7j s LEU 32 N -6.41 2.62 0.85 1.20 1.43 -0.71 -5.04 118.68 112.62 1r7j s LEU 32 Ca 0.18 -1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 52.08 1r7j s LEU 32 Cb -0.05 -1.04 0.10 0.00 0.03 0.00 0.00 46.19 45.24 1r7j s LEU 32 CO 0.81 -0.05 1.09 -0.94 0.23 0.00 0.00 176.35 177.50 1r7j s SER 33 N -3.52 3.95 0.18 2.29 1.04 -1.26 -4.70 113.70 111.67 1r7j s SER 33 Ca 0.30 1.40 -0.13 0.00 0.48 0.00 0.00 55.95 58.01 1r7j s SER 33 Cb -0.03 -2.11 0.08 0.00 0.10 0.00 0.00 66.02 64.07 1r7j s SER 33 CO 0.15 -2.32 1.80 0.22 0.98 0.00 0.00 173.24 174.06 1r7j h TYR 34 N -1.33 0.78 -0.53 5.02 3.20 -1.99 -0.79 116.97 121.33 1r7j h TYR 34 Ca -0.48 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.37 1r7j h TYR 34 Cb 1.28 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.27 1r7j h TYR 34 CO 0.44 0.56 0.30 0.00 -1.64 0.00 0.00 178.16 177.82 1r7j h ALA 35 N 1.16 0.67 -0.13 1.82 0.00 -2.00 -2.02 119.26 118.75 1r7j h ALA 35 Ca 0.21 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1r7j h ALA 35 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1r7j h ALA 35 CO -0.04 0.17 -0.38 1.25 0.00 0.00 0.00 179.25 180.25 1r7j h LEU 36 N 0.70 0.30 -0.70 0.00 5.85 -1.87 -2.46 115.31 117.14 1r7j h LEU 36 Ca 0.19 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1r7j h LEU 36 Cb 0.02 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1r7j h LEU 36 CO -0.03 0.66 0.39 0.74 -0.34 0.00 0.00 178.44 179.86 1r7j h THR 37 N 0.24 1.21 -0.82 1.05 2.02 -0.73 -1.32 112.91 114.56 1r7j h THR 37 Ca 0.03 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1r7j h THR 37 Cb 0.79 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1r7j h THR 37 CO 0.06 0.23 0.44 1.23 0.37 0.00 0.00 175.52 177.86 1r7j h GLY 38 N 0.95 1.23 1.07 2.16 0.00 -1.01 -0.66 103.07 106.82 1r7j h GLY 38 Ca 0.25 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 1r7j h GLY 38 CO -0.04 0.54 0.14 3.21 0.00 0.00 0.00 176.54 180.38 1r7j h ARG 39 N 1.14 1.13 -0.42 4.80 3.08 -0.97 -0.46 114.38 122.69 1r7j h ARG 39 Ca 0.29 -0.29 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1r7j h ARG 39 Cb 0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1r7j h ARG 39 CO -0.05 1.02 -0.31 1.88 -1.07 0.00 0.00 179.97 181.44 1r7j h TYR 40 N 1.06 1.12 -0.50 3.04 -1.99 -0.99 -1.82 116.97 116.91 1r7j h TYR 40 Ca 0.21 -0.31 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 1r7j h TYR 40 Cb 0.42 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.88 1r7j h TYR 40 CO 0.03 1.14 0.26 0.82 -0.00 0.00 0.00 178.16 180.41 1r7j h ILE 41 N 0.79 1.18 -0.66 -2.88 2.04 -0.92 -0.99 117.51 116.07 1r7j h ILE 41 Ca 0.08 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1r7j h ILE 41 Cb 0.90 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1r7j h ILE 41 CO 0.08 0.19 0.39 0.50 0.00 0.00 0.00 178.15 179.31 1r7j h LYS 42 N 0.66 0.90 -0.35 2.37 3.64 -0.99 0.50 116.57 123.29 1r7j h LYS 42 Ca 0.17 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1r7j h LYS 42 Cb 0.07 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1r7j h LYS 42 CO -0.03 0.66 0.21 1.98 -2.27 0.00 0.00 179.45 180.00 1r7j h MET 43 N 0.90 0.48 0.00 1.90 4.05 -0.97 -0.12 114.93 121.17 1r7j h MET 43 Ca 0.23 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.50 1r7j h MET 43 Cb -0.00 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.68 1r7j h MET 43 CO -0.04 0.37 -0.51 -0.07 0.23 0.00 0.00 176.91 176.89 1r7j h LEU 44 N 0.46 0.00 -0.23 3.39 3.38 -0.87 -2.35 115.31 119.08 1r7j h LEU 44 Ca 0.13 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 1r7j h LEU 44 Cb 0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1r7j h LEU 44 CO -0.02 0.51 -0.72 0.24 0.09 0.00 0.00 178.44 178.54 1r7j h MET 45 N 0.00 0.76 -0.19 1.13 2.86 -0.61 0.56 114.93 119.44 1r7j h MET 45 Ca -0.01 -0.58 -0.05 0.00 -2.06 0.00 0.00 59.70 57.00 1r7j h MET 45 Cb 0.90 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 1r7j h MET 45 CO 0.07 1.20 -0.09 -0.44 1.06 0.00 0.00 176.91 178.70 1r7j h ASP 46 N 0.54 0.27 -0.06 1.22 3.32 -0.81 -0.81 116.42 120.09 1r7j h ASP 46 Ca -0.03 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1r7j h ASP 46 Cb 1.33 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1r7j h ASP 46 CO 0.15 0.40 0.00 0.18 -1.72 0.00 0.00 179.24 178.25 1r7j n LEU 47 N -4.29 1.15 -3.42 1.55 4.77 -0.90 -4.92 117.00 110.94 1r7j n LEU 47 Ca -0.00 -0.43 -0.24 0.00 -0.03 0.00 0.00 56.01 55.31 1r7j n LEU 47 Cb 0.25 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1r7j n LEU 47 CO 0.38 0.21 0.12 -0.62 -1.33 0.00 0.00 177.39 176.15 1r7j n GLU 48 N -0.07 -6.26 -0.03 3.23 1.02 -0.31 -4.88 120.64 113.33 1r7j n GLU 48 Ca 0.18 0.81 -0.12 0.00 -0.02 0.00 0.00 57.16 58.01 1r7j n GLU 48 Cb 0.28 -5.75 -0.14 0.00 -0.02 0.00 0.00 31.44 25.80 1r7j n GLU 48 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1r7j n ILE 49 N -4.73 1.62 -4.34 -3.67 5.41 0.14 -4.54 119.36 109.26 1r7j n ILE 49 Ca -0.03 -0.76 -0.18 0.00 1.00 0.00 0.00 62.75 62.78 1r7j n ILE 49 Cb 0.58 -1.15 -0.10 0.00 -0.71 0.00 0.00 39.64 38.26 1r7j n ILE 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1r7j s ILE 50 N -2.58 1.33 0.12 1.39 -4.36 -1.16 -2.10 121.20 113.84 1r7j s ILE 50 Ca -0.10 -2.09 -0.00 0.00 -0.26 0.00 0.00 60.65 58.19 1r7j s ILE 50 Cb 0.07 -2.20 -0.04 0.00 1.25 0.00 0.00 42.46 41.55 1r7j s ILE 50 CO 0.81 -0.47 0.03 0.00 0.24 0.00 0.00 174.94 175.55 1r7j s ARG 51 N -3.77 0.89 -0.08 0.37 1.70 0.49 -4.44 118.95 114.12 1r7j s ARG 51 Ca 0.25 -1.41 0.05 0.00 -0.47 0.00 0.00 55.73 54.15 1r7j s ARG 51 Cb 0.03 0.14 -0.01 0.00 -0.57 0.00 0.00 34.95 34.54 1r7j s ARG 51 CO 0.07 -0.20 -0.24 -1.14 -1.08 0.00 0.00 175.30 172.71 1r7j s GLN 52 N -3.99 2.76 -0.40 3.89 0.74 -1.26 -0.76 119.66 120.64 1r7j s GLN 52 Ca 0.20 -0.89 0.03 0.00 0.05 0.00 0.00 55.36 54.75 1r7j s GLN 52 Cb 0.07 -2.23 0.12 0.00 1.10 0.00 0.00 33.01 32.07 1r7j s GLN 52 CO -0.00 0.30 0.15 -1.21 -0.55 0.00 0.00 175.29 173.98 1r7j s GLU 53 N 0.04 1.39 7.58 1.67 2.02 0.12 -5.00 118.70 126.52 1r7j s GLU 53 Ca -0.10 -1.91 0.00 0.00 0.02 0.00 0.00 54.97 52.98 1r7j s GLU 53 Cb -0.15 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.30 1r7j s GLU 53 CO 0.06 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.71 1r7j n GLY 54 N 3.95 2.66 0.84 -1.39 0.00 -1.26 -2.02 105.19 107.96 1r7j n GLY 54 Ca 0.04 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1r7j n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r7j n LYS 55 N 9.99 2.06 -3.95 1.61 5.02 -1.26 -4.96 118.16 126.67 1r7j n LYS 55 Ca 0.00 -1.69 -0.30 0.00 -2.02 0.00 0.00 58.31 54.30 1r7j n LYS 55 Cb 0.00 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.50 1r7j n LYS 55 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1r7j s GLN 56 N -2.10 3.32 -0.08 1.97 -1.52 -0.86 -4.24 119.66 116.14 1r7j s GLN 56 Ca 0.26 -0.51 0.04 0.00 -1.95 0.00 0.00 55.36 53.20 1r7j s GLN 56 Cb 0.20 -2.97 -0.01 0.00 -0.22 0.00 0.00 33.01 30.01 1r7j s GLN 56 CO 0.36 0.59 -0.20 0.71 -0.25 0.00 0.00 175.29 176.50 1r7j s TYR 57 N -1.51 2.60 0.22 0.91 2.02 0.19 -0.70 117.35 121.08 1r7j s TYR 57 Ca 0.34 -0.66 0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1r7j s TYR 57 Cb -0.13 -1.68 -0.05 0.00 -0.40 0.00 0.00 41.96 39.70 1r7j s TYR 57 CO 0.27 -0.18 0.01 -1.64 -1.57 0.00 0.00 175.55 172.44 1r7j s MET 58 N -0.06 1.28 0.30 -0.62 -1.94 0.06 -1.26 119.30 117.07 1r7j s MET 58 Ca -0.05 -1.65 -0.18 0.00 -1.71 0.00 0.00 55.69 52.11 1r7j s MET 58 Cb -0.14 -0.47 -0.09 0.00 2.01 0.00 0.00 34.83 36.14 1r7j s MET 58 CO 0.04 -0.13 0.76 -0.51 -0.01 0.00 0.00 175.02 175.18 1r7j s LEU 59 N -3.27 4.15 0.58 -0.03 1.43 -1.16 -0.38 118.68 120.00 1r7j s LEU 59 Ca 0.28 1.39 0.03 0.00 -1.03 0.00 0.00 54.13 54.81 1r7j s LEU 59 Cb 0.06 -3.97 0.06 0.00 0.03 0.00 0.00 46.19 42.38 1r7j s LEU 59 CO 0.08 -0.14 0.81 0.42 0.23 0.00 0.00 176.35 177.74 1r7j s THR 60 N -1.84 2.48 0.25 5.49 -4.23 -0.89 -4.79 115.64 112.11 1r7j s THR 60 Ca 0.51 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 60.23 1r7j s THR 60 Cb -0.12 -2.72 0.25 0.00 1.34 0.00 0.00 72.50 71.24 1r7j s THR 60 CO 0.18 0.00 1.87 0.50 -0.54 0.00 0.00 174.62 176.64 1r7j h LYS 61 N 0.02 1.08 -0.64 3.99 1.63 -1.89 -0.07 116.57 120.68 1r7j h LYS 61 Ca -0.38 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.38 1r7j h LYS 61 Cb 1.28 -0.24 -0.04 0.00 -0.60 0.00 0.00 32.23 32.63 1r7j h LYS 61 CO 0.46 0.71 0.40 -0.22 -3.45 0.00 0.00 179.45 177.35 1r7j h LYS 62 N 1.11 0.78 -0.31 1.90 3.64 -1.87 -1.51 116.57 120.30 1r7j h LYS 62 Ca 0.40 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.65 1r7j h LYS 62 Cb 0.14 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1r7j h LYS 62 CO -0.16 0.51 -0.18 0.78 -2.27 0.00 0.00 179.45 178.13 1r7j h GLY 63 N 0.80 0.62 0.96 5.01 0.00 -1.20 -1.20 103.07 108.06 1r7j h GLY 63 Ca 0.25 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1r7j h GLY 63 CO -0.09 0.43 0.12 0.83 0.00 0.00 0.00 176.54 177.84 1r7j h GLU 64 N 0.52 0.74 -0.50 4.80 5.08 -0.47 -0.37 114.58 124.37 1r7j h GLU 64 Ca 0.08 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1r7j h GLU 64 Cb 0.60 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1r7j h GLU 64 CO 0.04 0.72 -0.06 0.93 -1.00 0.00 0.00 179.01 179.64 1r7j h GLU 65 N 0.62 0.88 -0.36 2.33 5.08 -1.09 -1.78 114.58 120.25 1r7j h GLU 65 Ca 0.15 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1r7j h GLU 65 Cb 0.30 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1r7j h GLU 65 CO -0.00 0.91 0.05 1.25 -1.00 0.00 0.00 179.01 180.22 1r7j h LEU 66 N 0.80 0.58 -0.88 1.33 5.85 -0.93 -1.15 115.31 120.91 1r7j h LEU 66 Ca 0.14 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1r7j h LEU 66 Cb 0.56 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1r7j h LEU 66 CO 0.03 0.70 0.51 0.25 -0.34 0.00 0.00 178.44 179.60 1r7j h LEU 67 N 0.44 1.07 -0.65 2.25 5.85 -0.89 -0.80 115.31 122.57 1r7j h LEU 67 Ca 0.11 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1r7j h LEU 67 Cb 0.38 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1r7j h LEU 67 CO 0.01 0.83 0.30 -0.33 -0.34 0.00 0.00 178.44 178.91 1r7j h GLU 68 N 1.21 0.94 -0.77 1.25 4.39 -1.09 -0.60 114.58 119.91 1r7j h GLU 68 Ca 0.31 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 1r7j h GLU 68 Cb -0.03 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 1r7j h GLU 68 CO -0.06 0.76 0.30 -0.44 -1.16 0.00 0.00 179.01 178.42 1r7j h ASP 69 N 0.90 1.08 -0.46 1.42 3.32 -0.63 -0.51 116.42 121.55 1r7j h ASP 69 Ca 0.22 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1r7j h ASP 69 Cb 0.14 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1r7j h ASP 69 CO -0.03 0.96 0.01 0.40 -1.72 0.00 0.00 179.24 178.87 1r7j h ILE 70 N 1.13 1.26 -0.80 0.35 2.04 -0.78 0.27 117.51 120.98 1r7j h ILE 70 Ca 0.26 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1r7j h ILE 70 Cb 0.23 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1r7j h ILE 70 CO -0.02 0.36 0.39 0.03 0.00 0.00 0.00 178.15 178.91 1r7j h ARG 71 N 0.65 1.15 -0.60 2.37 3.08 -0.84 -0.56 114.38 119.64 1r7j h ARG 71 Ca 0.13 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1r7j h ARG 71 Cb 0.49 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1r7j h ARG 71 CO 0.02 0.89 0.15 -0.22 -1.07 0.00 0.00 179.97 179.74 1r7j h LYS 72 N 1.13 0.95 -0.39 0.04 3.64 -0.85 -1.75 116.57 119.35 1r7j h LYS 72 Ca 0.28 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1r7j h LYS 72 Cb 0.11 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1r7j h LYS 72 CO -0.04 0.87 0.26 0.35 -2.27 0.00 0.00 179.45 178.62 1r7j h PHE 73 N 0.86 0.49 -0.33 1.91 3.57 -0.38 -0.64 116.94 122.42 1r7j h PHE 73 Ca 0.19 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1r7j h PHE 73 Cb 0.35 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1r7j h PHE 73 CO 0.02 0.30 -0.05 -0.91 -2.23 0.00 0.00 178.31 175.45 1r7j h ASN 74 N 0.52 0.50 -0.26 0.41 2.35 -0.89 -0.99 115.58 117.22 1r7j h ASN 74 Ca 0.14 -0.11 -0.14 0.00 -0.55 0.00 0.00 56.30 55.64 1r7j h ASN 74 Cb -0.06 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1r7j h ASN 74 CO -0.03 0.61 -0.35 -0.08 -1.65 0.00 0.00 177.43 175.92 1r7j h GLU 75 N 0.50 0.80 -0.70 0.81 4.57 -0.90 -1.66 114.58 118.00 1r7j h GLU 75 Ca 0.10 -0.39 -0.03 0.00 -1.18 0.00 0.00 59.36 57.86 1r7j h GLU 75 Cb 0.40 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1r7j h GLU 75 CO 0.02 1.02 0.30 0.52 -1.18 0.00 0.00 179.01 179.69 1r7j h MET 76 N 0.66 1.03 -0.55 1.92 2.86 -0.52 -1.36 114.93 118.97 1r7j h MET 76 Ca 0.06 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1r7j h MET 76 Cb 0.90 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1r7j h MET 76 CO 0.08 0.84 0.26 -0.09 1.06 0.00 0.00 176.91 179.06 1r7j h ARG 77 N 0.99 0.79 -0.19 1.72 2.43 -0.95 0.55 114.38 119.72 1r7j h ARG 77 Ca 0.24 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1r7j h ARG 77 Cb 0.17 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1r7j h ARG 77 CO -0.02 0.66 0.11 -0.22 -1.51 0.00 0.00 179.97 178.98 1r7j h LYS 78 N 0.74 0.22 -0.42 0.20 3.64 -0.93 0.66 116.57 120.68 1r7j h LYS 78 Ca 0.19 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1r7j h LYS 78 Cb 0.13 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1r7j h LYS 78 CO -0.02 0.14 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.34 1r7j h ASN 79 N 0.23 0.69 -0.20 4.20 2.35 -1.03 -1.82 115.58 119.99 1r7j h ASN 79 Ca 0.07 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1r7j h ASN 79 Cb -0.01 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1r7j h ASN 79 CO -0.03 0.79 -0.01 -0.03 -1.65 0.00 0.00 177.43 176.50 1r7j h MET 80 N 0.66 0.35 -0.99 0.81 4.05 -0.51 -1.37 114.93 117.93 1r7j h MET 80 Ca 0.12 -0.12 0.05 0.00 -0.28 0.00 0.00 59.70 59.48 1r7j h MET 80 Cb 0.49 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.19 1r7j h MET 80 CO 0.03 0.56 0.65 -0.44 0.23 0.00 0.00 176.91 177.93 1r7j h ASP 81 N 0.11 1.06 -0.47 1.39 3.32 -0.68 0.05 116.42 121.21 1r7j h ASP 81 Ca 0.06 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 1r7j h ASP 81 Cb 0.40 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1r7j h ASP 81 CO 0.01 0.71 -0.21 -0.61 -1.72 0.00 0.00 179.24 177.42 1r7j h GLN 82 N 1.23 0.98 -0.19 3.56 4.15 -1.16 -2.07 115.11 121.60 1r7j h GLN 82 Ca 0.41 -0.42 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 1r7j h GLN 82 Cb 0.06 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1r7j h GLN 82 CO -0.14 1.09 -0.25 1.25 -1.93 0.00 0.00 178.83 178.85 1r7j h LEU 83 N 0.85 0.35 -0.93 -2.39 5.85 -0.61 -1.79 115.31 116.64 1r7j h LEU 83 Ca 0.11 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1r7j h LEU 83 Cb 0.79 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1r7j h LEU 83 CO 0.07 0.61 -0.04 0.50 -0.34 0.00 0.00 178.44 179.23 1r7j h LYS 84 N 0.32 0.73 -0.47 1.25 1.63 -0.71 -0.60 116.57 118.72 1r7j h LYS 84 Ca 0.05 -0.21 -0.09 0.00 -0.85 0.00 0.00 60.65 59.55 1r7j h LYS 84 Cb 0.62 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 1r7j h LYS 84 CO 0.04 0.77 -0.08 0.93 -3.45 0.00 0.00 179.45 177.67 1r7j h GLU 85 N 0.68 0.82 -0.14 1.90 4.39 -0.68 0.47 114.58 122.03 1r7j h GLU 85 Ca 0.13 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1r7j h GLU 85 Cb 0.48 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1r7j h GLU 85 CO 0.02 0.87 0.04 -0.22 -1.16 0.00 0.00 179.01 178.57 1r7j h LYS 86 N 0.75 0.21 -0.25 2.33 3.64 -0.74 -0.66 116.57 121.85 1r7j h LYS 86 Ca 0.13 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1r7j h LYS 86 Cb 0.56 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1r7j h LYS 86 CO 0.03 0.35 0.16 0.82 -2.27 0.00 0.00 179.45 178.54 1r7j h ILE 87 N 0.03 1.08 -0.36 2.00 2.04 -0.92 -2.61 117.51 118.77 1r7j h ILE 87 Ca 0.04 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1r7j h ILE 87 Cb 0.23 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1r7j h ILE 87 CO -0.00 0.08 0.06 0.78 0.00 0.00 0.00 178.15 179.06 1r7j h ASN 88 N 0.33 0.50 -0.18 1.72 2.35 -0.77 -2.29 115.58 117.24 1r7j h ASN 88 Ca 0.09 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1r7j h ASN 88 Cb -0.01 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1r7j h ASN 88 CO -0.02 0.53 -0.03 0.77 -1.65 0.00 0.00 177.43 177.03 1r7j h SER 89 N 0.53 0.45 0.13 5.81 4.64 -0.75 0.44 113.55 124.80 1r7j h SER 89 Ca 0.12 -0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 61.17 1r7j h SER 89 Cb 0.25 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1r7j h SER 89 CO 0.00 0.54 -0.70 0.58 -0.87 0.00 0.00 176.83 176.38 1r7j h VAL 90 N 0.46 1.35 -0.00 0.95 2.07 -1.13 -3.15 116.25 116.79 1r7j h VAL 90 Ca 0.10 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1r7j h VAL 90 Cb 0.35 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1r7j h VAL 90 CO 0.01 0.62 -0.37 0.18 0.02 0.00 0.00 177.57 178.04 1r7j n LEU 91 N -3.88 0.78 0.00 2.57 4.77 -0.93 -5.13 117.00 115.17 1r7j n LEU 91 Ca -0.05 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1r7j n LEU 91 Cb 0.69 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1r7j n LEU 91 CO 0.49 0.16 0.00 -1.54 -1.33 0.00 0.00 177.39 175.17