#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3d s LYS 2 N 0.00 0.42 0.12 0.03 1.02 -1.26 -5.17 119.74 114.90 1j3d s LYS 2 Ca 0.00 -0.52 -0.14 0.00 0.02 0.00 0.00 55.97 55.33 1j3d s LYS 2 Cb 0.00 0.17 0.02 0.00 -0.52 0.00 0.00 37.83 37.50 1j3d s LYS 2 CO 0.00 -0.09 0.35 0.21 -0.92 0.00 0.00 175.35 174.89 1j3d s LYS 3 N -1.53 1.02 0.21 1.68 2.20 -1.26 -4.97 119.74 117.09 1j3d s LYS 3 Ca -0.14 -0.80 -0.14 0.00 -0.36 0.00 0.00 55.97 54.53 1j3d s LYS 3 Cb -0.08 0.43 0.01 0.00 -1.51 0.00 0.00 37.83 36.68 1j3d s LYS 3 CO 0.00 -0.38 0.46 -0.51 -0.36 0.00 0.00 175.35 174.56 1j3d s ASP 4 N -2.83 -0.13 0.16 1.43 1.01 -1.26 -5.02 116.67 110.03 1j3d s ASP 4 Ca 0.04 -0.73 -0.05 0.00 0.71 0.00 0.00 52.55 52.53 1j3d s ASP 4 Cb 0.03 0.55 0.02 0.00 1.01 0.00 0.00 42.92 44.53 1j3d s ASP 4 CO -0.11 -1.06 1.42 1.55 0.21 0.00 0.00 175.17 177.18 1j3d h PRO 5 N 2.29 0.56 0.00 8.23 0.13 -2.03 -3.22 132.00 137.96 1j3d h PRO 5 Ca -0.28 -0.42 -0.22 0.00 -0.87 0.00 0.00 66.00 64.20 1j3d h PRO 5 Cb 1.25 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1j3d h PRO 5 CO 0.39 1.04 -1.18 -0.91 -0.23 0.00 0.00 178.00 177.11 1j3d h ASN 6 N 0.40 0.00 -4.32 1.44 2.35 -2.05 -3.46 115.58 109.94 1j3d h ASN 6 Ca -0.02 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.22 1j3d h ASN 6 Cb 1.26 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.70 1j3d h ASN 6 CO 0.13 0.95 0.40 0.00 -1.65 0.00 0.00 177.43 177.26 1j3d s ALA 7 N -2.70 2.94 0.97 -0.83 0.00 -1.22 -5.01 121.76 115.91 1j3d s ALA 7 Ca -0.00 0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 1j3d s ALA 7 Cb 0.09 -3.13 0.19 0.00 0.00 0.00 0.00 23.12 20.27 1j3d s ALA 7 CO 0.82 -0.79 1.11 -0.35 0.00 0.00 0.00 175.76 176.54 1j3d n PRO 8 N -2.64 -1.01 -4.38 0.00 -0.04 -1.26 -4.58 135.00 121.09 1j3d n PRO 8 Ca 0.07 -1.80 -0.35 0.00 -0.04 0.00 0.00 63.50 61.38 1j3d n PRO 8 Cb 0.54 -1.11 -0.10 0.00 -0.04 0.00 0.00 33.50 32.79 1j3d n PRO 8 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1j3d s LYS 9 N -5.41 2.99 0.29 0.54 3.01 -1.26 -4.71 119.74 115.19 1j3d s LYS 9 Ca 0.63 -0.41 -0.28 0.00 -1.01 0.00 0.00 55.97 54.90 1j3d s LYS 9 Cb -0.02 -2.79 -0.14 0.00 -1.01 0.00 0.00 37.83 33.87 1j3d s LYS 9 CO 0.44 0.70 1.08 2.89 0.51 0.00 0.00 175.35 180.97 1j3d n ARG 10 N 2.16 1.50 -1.62 1.68 1.85 -1.26 -4.96 116.66 116.01 1j3d n ARG 10 Ca -0.19 0.53 -0.29 0.00 -1.00 0.00 0.00 57.85 56.90 1j3d n ARG 10 Cb 0.54 -1.95 0.15 0.00 -1.05 0.00 0.00 32.46 30.14 1j3d n ARG 10 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1j3d s PRO 11 N -1.47 0.94 0.00 2.89 0.04 -1.26 -5.07 135.00 131.07 1j3d s PRO 11 Ca 0.59 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1j3d s PRO 11 Cb -0.69 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1j3d s PRO 11 CO 0.59 -2.30 0.00 -0.35 0.04 0.00 0.00 177.00 174.99 1j3d n PRO 12 N -3.80 0.43 -2.45 0.56 -0.04 -1.26 -4.99 135.00 123.45 1j3d n PRO 12 Ca 0.09 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.52 1j3d n PRO 12 Cb 0.60 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.11 1j3d n PRO 12 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3d n SER 13 N -0.95 -1.19 0.00 3.54 2.88 -1.26 -4.82 113.62 111.82 1j3d n SER 13 Ca 0.00 -1.86 0.00 0.00 -1.33 0.00 0.00 58.87 55.68 1j3d n SER 13 Cb 0.00 0.75 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 1j3d n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3d n ALA 14 N -0.66 0.00 0.20 -1.46 0.00 -1.26 -4.16 120.51 113.17 1j3d n ALA 14 Ca -0.14 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.47 1j3d n ALA 14 Cb 0.72 0.00 0.83 0.00 0.00 0.00 0.00 19.45 21.00 1j3d n ALA 14 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1j3d h PHE 15 N 0.00 0.00 0.01 0.00 3.57 -1.96 -0.62 116.94 117.95 1j3d h PHE 15 Ca 0.00 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 1j3d h PHE 15 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1j3d h PHE 15 CO 0.00 0.00 -0.91 0.35 -2.23 0.00 0.00 178.31 175.52 1j3d h PHE 16 N 0.00 0.26 0.00 0.41 3.04 -1.94 -2.72 116.94 115.99 1j3d h PHE 16 Ca 0.09 -0.15 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1j3d h PHE 16 Cb 0.52 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.00 1j3d h PHE 16 CO 0.00 0.99 0.00 1.28 -2.02 0.00 0.00 178.31 178.56 1j3d n LEU 17 N -3.61 0.20 -0.32 0.59 7.99 -0.24 0.43 117.00 122.03 1j3d n LEU 17 Ca -0.03 0.55 -0.01 0.00 -0.01 0.00 0.00 56.01 56.50 1j3d n LEU 17 Cb 0.83 -0.09 0.03 0.00 -0.11 0.00 0.00 43.42 44.08 1j3d n LEU 17 CO 0.48 -0.09 0.47 0.33 -1.51 0.00 0.00 177.39 177.07 1j3d n PHE 18 N -0.76 0.00 0.10 -1.77 7.35 -1.20 0.28 117.46 121.46 1j3d n PHE 18 Ca 0.00 1.01 -0.12 0.00 -0.76 0.00 0.00 57.45 57.57 1j3d n PHE 18 Cb 0.00 -0.79 -0.05 0.00 0.35 0.00 0.00 39.48 38.99 1j3d n PHE 18 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1j3d h SER 20 N -0.35 0.16 0.73 0.00 0.02 0.46 -0.17 113.55 114.39 1j3d h SER 20 Ca 0.03 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.84 1j3d h SER 20 Cb 0.38 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1j3d h SER 20 CO -0.11 0.09 -1.37 -1.84 -1.14 0.00 0.00 176.83 172.46 1j3d n GLU 21 N -4.44 0.62 -0.76 3.45 0.28 -0.03 -4.02 120.64 115.75 1j3d n GLU 21 Ca 0.09 0.21 0.08 0.00 -0.16 0.00 0.00 57.16 57.38 1j3d n GLU 21 Cb 0.47 -1.81 0.36 0.00 1.43 0.00 0.00 31.44 31.89 1j3d n GLU 21 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1j3d n HIS 22 N -2.86 1.73 0.00 -1.84 8.25 0.54 -4.51 115.22 116.53 1j3d n HIS 22 Ca -0.09 -0.78 -0.21 0.00 -0.26 0.00 0.00 57.72 56.38 1j3d n HIS 22 Cb 0.81 -0.45 -0.14 0.00 1.12 0.00 0.00 29.99 31.33 1j3d n HIS 22 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1j3d h ARG 23 N 3.31 0.23 0.00 -0.41 2.43 -1.19 -3.30 114.38 115.44 1j3d h ARG 23 Ca 0.00 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1j3d h ARG 23 Cb 1.82 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.51 1j3d h ARG 23 CO 0.41 1.19 0.00 -0.35 -1.51 0.00 0.00 179.97 179.71 1j3d n PRO 24 N -3.95 0.14 0.06 0.20 -0.04 -1.26 -3.31 135.00 126.85 1j3d n PRO 24 Ca -0.25 0.05 -0.18 0.00 -0.04 0.00 0.00 63.50 63.08 1j3d n PRO 24 Cb 0.88 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.70 1j3d n PRO 24 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1j3d h LYS 25 N 0.00 0.28 0.00 0.54 3.64 -1.82 -3.29 116.57 115.93 1j3d h LYS 25 Ca 0.00 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1j3d h LYS 25 Cb 0.37 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1j3d h LYS 25 CO 0.00 1.15 0.00 -0.89 -2.27 0.00 0.00 179.45 177.44 1j3d n ILE 26 N -3.48 0.79 0.60 2.00 2.08 -1.21 -2.45 119.36 117.70 1j3d n ILE 26 Ca -0.19 0.16 0.13 0.00 0.56 0.00 0.00 62.75 63.41 1j3d n ILE 26 Cb 1.05 -1.10 0.35 0.00 -0.75 0.00 0.00 39.64 39.20 1j3d n ILE 26 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1j3d h LYS 27 N 0.00 0.00 0.00 0.38 1.57 -1.63 -2.92 116.57 113.97 1j3d h LYS 27 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1j3d h LYS 27 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1j3d h LYS 27 CO 0.00 0.00 -0.23 0.66 -0.57 0.00 0.00 179.45 179.31 1j3d h SER 28 N 0.00 0.20 -0.25 0.86 4.64 -1.62 -3.28 113.55 114.10 1j3d h SER 28 Ca 0.00 -0.79 0.00 0.00 -0.47 0.00 0.00 61.79 60.53 1j3d h SER 28 Cb 0.75 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1j3d h SER 28 CO 0.00 0.97 0.00 -0.62 -0.87 0.00 0.00 176.83 176.31 1j3d n GLU 29 N -4.52 1.83 -3.15 4.77 1.02 -1.25 -4.54 120.64 114.79 1j3d n GLU 29 Ca -0.10 -1.26 -0.16 0.00 -0.02 0.00 0.00 57.16 55.62 1j3d n GLU 29 Cb 0.50 -1.37 -0.05 0.00 -0.02 0.00 0.00 31.44 30.49 1j3d n GLU 29 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1j3d s HIS 30 N -1.68 -0.24 -0.20 -0.32 3.76 -1.10 -5.10 115.29 110.41 1j3d s HIS 30 Ca 0.31 -1.33 -0.29 0.00 -0.15 0.00 0.00 55.06 53.60 1j3d s HIS 30 Cb 0.17 -0.34 -0.04 0.00 1.11 0.00 0.00 32.58 33.48 1j3d s HIS 30 CO 0.24 -1.03 1.78 -1.25 -0.85 0.00 0.00 174.74 173.63 1j3d s PRO 31 N 0.67 3.67 0.00 8.40 0.04 -1.25 -1.75 135.00 144.78 1j3d s PRO 31 Ca 0.28 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1j3d s PRO 31 Cb -0.02 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1j3d s PRO 31 CO -0.11 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 175.88 1j3d n GLY 32 N 4.93 2.46 3.47 0.56 0.00 -1.26 -5.03 105.19 110.31 1j3d n GLY 32 Ca 0.21 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.77 1j3d n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j3d n LEU 33 N 0.00 1.68 0.00 0.99 -0.00 -0.72 -4.92 117.00 114.03 1j3d n LEU 33 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 1j3d n LEU 33 Cb 0.00 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 42.18 1j3d n LEU 33 CO 0.00 -0.92 0.00 -1.54 -0.00 0.00 0.00 177.39 174.93 1j3d n SER 34 N 11.19 -0.80 -0.94 1.96 3.41 -1.26 -4.89 113.62 122.29 1j3d n SER 34 Ca 0.47 -0.34 0.04 0.00 -0.26 0.00 0.00 58.87 58.78 1j3d n SER 34 Cb 0.24 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.37 1j3d n SER 34 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1j3d n ILE 35 N -2.01 0.95 -0.06 -1.33 2.08 -1.26 -3.90 119.36 113.83 1j3d n ILE 35 Ca 0.00 -0.58 -0.05 0.00 0.56 0.00 0.00 62.75 62.68 1j3d n ILE 35 Cb 0.00 -0.12 -0.02 0.00 -0.75 0.00 0.00 39.64 38.75 1j3d n ILE 35 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1j3d n GLY 36 N 0.63 -0.75 0.24 7.39 0.00 -1.26 -3.47 105.19 107.97 1j3d n GLY 36 Ca 0.13 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1j3d n GLY 36 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j3d h ASP 37 N -0.78 0.75 -0.61 1.61 3.32 -1.95 -2.39 116.42 116.37 1j3d h ASP 37 Ca 0.00 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1j3d h ASP 37 Cb 0.54 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1j3d h ASP 37 CO 0.00 0.72 0.36 0.74 -1.72 0.00 0.00 179.24 179.34 1j3d h THR 38 N 0.73 1.18 0.00 0.35 2.02 -1.80 -0.72 112.91 114.68 1j3d h THR 38 Ca 0.18 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 1j3d h THR 38 Cb 0.21 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1j3d h THR 38 CO -0.01 0.19 -0.27 0.00 0.37 0.00 0.00 175.52 175.80 1j3d h ALA 39 N 1.54 1.51 0.00 6.16 0.00 -1.47 0.31 119.26 127.31 1j3d h ALA 39 Ca 0.22 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1j3d h ALA 39 Cb -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1j3d h ALA 39 CO -0.04 0.33 -0.80 0.87 0.00 0.00 0.00 179.25 179.61 1j3d h LYS 40 N 0.00 0.00 0.00 0.00 1.57 -0.74 -2.65 116.57 114.75 1j3d h LYS 40 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1j3d h LYS 40 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1j3d h LYS 40 CO 0.03 0.80 -1.25 -0.22 -0.57 0.00 0.00 179.45 178.25 1j3d h LYS 41 N 0.00 0.00 0.14 3.15 3.64 -0.66 -3.25 116.57 119.59 1j3d h LYS 41 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1j3d h LYS 41 Cb 1.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1j3d h LYS 41 CO 0.10 0.34 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.49 1j3d h LEU 42 N 0.00 -0.15 -2.05 5.20 4.07 -0.44 -2.79 115.31 119.15 1j3d h LEU 42 Ca -0.13 -0.18 0.12 0.00 0.08 0.00 0.00 57.88 57.77 1j3d h LEU 42 Cb 1.55 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 43.32 1j3d h LEU 42 CO 0.05 0.40 0.37 1.23 -1.08 0.00 0.00 178.44 179.41 1j3d h GLY 43 N -1.01 0.00 1.10 0.83 0.00 -1.66 0.94 103.07 103.27 1j3d h GLY 43 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.13 1j3d h GLY 43 CO 0.03 0.00 -0.54 -2.09 0.00 0.00 0.00 176.54 173.94 1j3d h GLU 44 N 0.00 0.81 0.21 4.80 4.81 -1.59 -2.22 114.58 121.40 1j3d h GLU 44 Ca 0.19 -0.54 -0.32 0.00 -0.13 0.00 0.00 59.36 58.57 1j3d h GLU 44 Cb 0.93 0.07 0.03 0.00 0.63 0.00 0.00 28.75 30.41 1j3d h GLU 44 CO -0.00 1.16 -1.40 0.52 -0.73 0.00 0.00 179.01 178.56 1j3d h MET 45 N 0.57 0.46 -0.02 1.92 2.86 -0.33 -3.13 114.93 117.26 1j3d h MET 45 Ca 0.00 -0.78 0.02 0.00 -2.06 0.00 0.00 59.70 56.89 1j3d h MET 45 Cb 1.15 0.29 -0.03 0.00 0.06 0.00 0.00 31.60 33.07 1j3d h MET 45 CO 0.12 1.37 -0.14 2.35 1.06 0.00 0.00 176.91 181.67 1j3d h TRP 46 N 0.13 -0.35 0.00 -0.22 -0.00 0.70 0.17 115.95 116.39 1j3d h TRP 46 Ca -0.22 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.69 1j3d h TRP 46 Cb 2.10 0.16 0.00 0.00 -0.00 0.00 0.00 29.16 31.42 1j3d h TRP 46 CO 0.11 -0.20 0.00 0.45 -0.00 0.00 0.00 178.44 178.79 1j3d n SER 47 N -5.27 0.06 -0.30 2.65 2.88 -0.84 -1.51 113.62 111.29 1j3d n SER 47 Ca -0.05 0.52 0.10 0.00 -1.33 0.00 0.00 58.87 58.11 1j3d n SER 47 Cb 0.19 -0.53 -0.04 0.00 -0.75 0.00 0.00 64.21 63.08 1j3d n SER 47 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1j3d n GLU 48 N -1.57 1.02 -2.64 -1.46 -0.58 0.43 -4.95 120.64 110.89 1j3d n GLU 48 Ca 0.02 -0.61 -0.36 0.00 -0.42 0.00 0.00 57.16 55.79 1j3d n GLU 48 Cb 0.10 -1.43 -0.05 0.00 -0.57 0.00 0.00 31.44 29.49 1j3d n GLU 48 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1j3d s GLN 49 N -2.53 4.28 0.00 3.49 1.11 -0.16 -5.04 119.66 120.80 1j3d s GLN 49 Ca 0.14 1.41 0.00 0.00 0.01 0.00 0.00 55.36 56.92 1j3d s GLN 49 Cb 0.16 -2.56 0.00 0.00 -1.01 0.00 0.00 33.01 29.60 1j3d s GLN 49 CO 0.63 -0.02 0.00 -1.13 0.01 0.00 0.00 175.29 174.78 1j3d n SER 50 N 0.01 0.00 -0.05 5.90 3.41 -1.26 -4.91 113.62 116.72 1j3d n SER 50 Ca 0.05 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1j3d n SER 50 Cb 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 1j3d n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j3d n ALA 51 N -3.00 1.96 0.00 7.33 0.00 -1.26 -4.27 120.51 121.27 1j3d n ALA 51 Ca 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 53.44 52.60 1j3d n ALA 51 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 1j3d n ALA 51 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1j3d h LYS 52 N 0.00 -0.22 -2.25 0.00 3.64 -2.01 -2.85 116.57 112.87 1j3d h LYS 52 Ca -0.26 0.01 -0.59 0.00 -1.27 0.00 0.00 60.65 58.55 1j3d h LYS 52 Cb 1.49 0.05 -0.42 0.00 -0.41 0.00 0.00 32.23 32.94 1j3d h LYS 52 CO 0.01 -0.15 -0.66 -0.25 -2.27 0.00 0.00 179.45 176.13 1j3d n ASP 53 N -5.32 4.14 0.00 4.20 8.00 -1.26 -4.67 116.55 121.64 1j3d n ASP 53 Ca -0.03 -3.60 0.00 0.00 0.71 0.00 0.00 54.79 51.87 1j3d n ASP 53 Cb 0.23 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1j3d n ASP 53 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1j3d n LYS 54 N -0.01 0.00 -0.03 -1.24 4.81 -1.22 -4.76 118.16 115.71 1j3d n LYS 54 Ca 0.30 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.62 1j3d n LYS 54 Cb 0.41 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.35 1j3d n LYS 54 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1j3d h GLN 55 N 0.00 -0.03 0.00 1.64 1.08 -1.69 -3.03 115.11 113.08 1j3d h GLN 55 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1j3d h GLN 55 Cb 0.00 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1j3d h GLN 55 CO 0.00 0.65 0.00 -0.35 -0.95 0.00 0.00 178.83 178.18 1j3d n PRO 56 N -4.76 0.01 0.02 1.46 -0.04 -1.26 -3.25 135.00 127.17 1j3d n PRO 56 Ca -0.09 0.15 -0.17 0.00 -0.04 0.00 0.00 63.50 63.35 1j3d n PRO 56 Cb 0.34 -1.51 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 1j3d n PRO 56 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1j3d h TYR 57 N 0.00 0.38 0.00 0.54 0.05 -1.92 -3.20 116.97 112.83 1j3d h TYR 57 Ca 0.00 -0.28 -0.05 0.00 0.05 0.00 0.00 58.73 58.45 1j3d h TYR 57 Cb 0.36 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 1j3d h TYR 57 CO 0.00 1.48 -0.24 1.05 -1.05 0.00 0.00 178.16 179.40 1j3d h GLU 58 N 0.06 0.00 0.07 4.88 4.11 -1.51 -2.98 114.58 119.21 1j3d h GLU 58 Ca -0.33 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.09 1j3d h GLU 58 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1j3d h GLU 58 CO 0.12 0.24 -0.03 1.96 0.07 0.00 0.00 179.01 181.36 1j3d h GLN 59 N 0.00 -0.09 -1.12 1.06 1.08 -1.67 -0.80 115.11 113.58 1j3d h GLN 59 Ca -0.00 0.01 0.32 0.00 -1.45 0.00 0.00 58.65 57.53 1j3d h GLN 59 Cb 0.83 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.23 1j3d h GLN 59 CO 0.03 -0.06 0.96 -0.22 -0.95 0.00 0.00 178.83 178.59 1j3d h LYS 60 N -0.39 0.00 0.12 1.46 3.64 -1.65 0.68 116.57 120.43 1j3d h LYS 60 Ca -0.01 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.04 1j3d h LYS 60 Cb 0.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1j3d h LYS 60 CO 0.02 0.00 -1.73 0.00 -2.27 0.00 0.00 179.45 175.47 1j3d h ALA 61 N 1.14 0.35 -0.06 5.00 0.00 -1.59 -3.20 119.26 120.88 1j3d h ALA 61 Ca 0.53 -1.24 0.03 0.00 0.00 0.00 0.00 54.91 54.23 1j3d h ALA 61 Cb 2.44 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 20.66 1j3d h ALA 61 CO -0.01 1.21 -0.09 0.00 0.00 0.00 0.00 179.25 180.36 1j3d h ALA 62 N 0.36 -0.05 0.00 0.00 0.00 0.19 0.23 119.26 119.99 1j3d h ALA 62 Ca -0.32 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1j3d h ALA 62 Cb 2.04 0.19 0.00 0.00 0.00 0.00 0.00 17.79 20.02 1j3d h ALA 62 CO 0.14 -0.57 0.00 1.17 0.00 0.00 0.00 179.25 179.99 1j3d n LYS 63 N -5.23 0.13 0.02 0.00 3.00 -0.65 -2.30 118.16 113.14 1j3d n LYS 63 Ca -0.04 0.42 -0.16 0.00 -0.00 0.00 0.00 58.31 58.52 1j3d n LYS 63 Cb 0.15 -1.78 -0.14 0.00 0.00 0.00 0.00 35.03 33.26 1j3d n LYS 63 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1j3d h LEU 64 N 0.00 0.30 0.49 3.14 3.38 -0.91 -3.23 115.31 118.47 1j3d h LEU 64 Ca 0.00 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 1j3d h LEU 64 Cb 0.27 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1j3d h LEU 64 CO 0.00 1.48 -0.24 0.50 0.09 0.00 0.00 178.44 180.28 1j3d h LYS 65 N 0.05 -0.63 -0.88 1.13 3.64 -0.23 -2.76 116.57 116.88 1j3d h LYS 65 Ca -0.32 0.04 0.23 0.00 -1.27 0.00 0.00 60.65 59.33 1j3d h LYS 65 Cb 2.02 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 33.94 1j3d h LYS 65 CO 0.11 -0.33 0.61 0.93 -2.27 0.00 0.00 179.45 178.50 1j3d h GLU 66 N -0.90 0.19 0.00 1.90 5.08 -1.66 0.58 114.58 119.76 1j3d h GLU 66 Ca -0.07 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1j3d h GLU 66 Cb 0.59 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1j3d h GLU 66 CO 0.11 0.13 -0.26 -0.22 -1.00 0.00 0.00 179.01 177.77 1j3d h LYS 67 N 0.20 0.00 -0.35 2.33 3.64 -1.51 -2.61 116.57 118.27 1j3d h LYS 67 Ca 0.44 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.69 1j3d h LYS 67 Cb 1.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1j3d h LYS 67 CO -0.10 0.26 -0.33 -0.92 -2.27 0.00 0.00 179.45 176.10 1j3d h TYR 68 N 0.00 0.90 -1.00 1.91 3.20 0.38 -0.59 116.97 121.78 1j3d h TYR 68 Ca -0.00 -0.24 0.05 0.00 3.14 0.00 0.00 58.73 61.67 1j3d h TYR 68 Cb 0.57 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1j3d h TYR 68 CO 0.00 0.99 0.65 0.93 -1.64 0.00 0.00 178.16 179.10 1j3d h GLU 69 N 0.65 1.20 0.02 1.82 5.08 -1.37 0.98 114.58 122.97 1j3d h GLU 69 Ca 0.07 -0.07 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1j3d h GLU 69 Cb 0.86 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1j3d h GLU 69 CO 0.08 0.79 -1.04 0.87 -1.00 0.00 0.00 179.01 178.72 1j3d h LYS 70 N 1.24 0.06 -0.01 2.33 1.57 -1.52 0.14 116.57 120.37 1j3d h LYS 70 Ca 0.41 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1j3d h LYS 70 Cb 0.06 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1j3d h LYS 70 CO -0.14 1.03 -0.02 -0.44 -0.57 0.00 0.00 179.45 179.32 1j3d h ASP 71 N 0.02 0.03 -0.12 0.86 5.19 -0.14 -3.21 116.42 119.05 1j3d h ASP 71 Ca -0.03 -0.54 -0.15 0.00 -0.62 0.00 0.00 57.03 55.68 1j3d h ASP 71 Cb 1.79 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 41.28 1j3d h ASP 71 CO 0.14 0.57 -0.45 0.40 -3.12 0.00 0.00 179.24 176.78 1j3d h ILE 72 N -0.50 1.30 -1.05 0.35 1.08 0.87 -3.05 117.51 116.52 1j3d h ILE 72 Ca 0.00 -1.64 0.29 0.00 -0.39 0.00 0.00 64.86 63.12 1j3d h ILE 72 Cb 0.56 1.58 -0.06 0.00 -3.07 0.00 0.00 36.82 35.83 1j3d h ILE 72 CO 0.00 0.52 0.72 0.00 -0.69 0.00 0.00 178.15 178.71 1j3d h ALA 73 N 0.96 2.70 0.00 1.87 0.00 -0.97 0.93 119.26 124.74 1j3d h ALA 73 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1j3d h ALA 73 Cb 0.99 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1j3d h ALA 73 CO 0.09 -1.04 -0.13 0.00 0.00 0.00 0.00 179.25 178.18 1j3d h ALA 74 N 1.53 0.01 0.00 0.00 0.00 -1.54 -3.30 119.26 115.97 1j3d h ALA 74 Ca 0.53 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1j3d h ALA 74 Cb 1.80 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1j3d h ALA 74 CO -0.11 0.10 0.04 -0.92 0.00 0.00 0.00 179.25 178.36 1j3d h TYR 75 N -1.00 0.00 0.53 0.00 3.20 -1.33 -2.41 116.97 115.96 1j3d h TYR 75 Ca -0.02 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1j3d h TYR 75 Cb 0.31 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.58 1j3d h TYR 75 CO 0.02 0.00 -0.25 -0.09 -1.64 0.00 0.00 178.16 176.20 1j3d h ARG 76 N 0.00 -0.69 0.66 1.82 2.43 0.78 -3.36 114.38 116.02 1j3d h ARG 76 Ca 0.00 0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1j3d h ARG 76 Cb 0.08 0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1j3d h ARG 76 CO 0.00 -0.46 -0.32 0.00 -1.51 0.00 0.00 179.97 177.69 1j3d h ALA 77 N -1.32 -0.97 -0.01 2.80 0.00 -1.59 -3.51 119.26 114.66 1j3d h ALA 77 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1j3d h ALA 77 Cb 0.55 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1j3d h ALA 77 CO 0.12 -0.91 0.00 1.17 0.00 0.00 0.00 179.25 179.63