#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3d n LYS 2 N 0.00 -0.72 -3.42 2.12 5.02 -1.26 -4.85 118.16 115.05 1j3d n LYS 2 Ca 0.00 0.48 -0.12 0.00 -2.02 0.00 0.00 58.31 56.64 1j3d n LYS 2 Cb 0.00 -0.88 -0.10 0.00 -0.02 0.00 0.00 35.03 34.03 1j3d n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1j3d s LYS 3 N -0.69 0.29 0.42 1.97 2.20 -1.26 -4.90 119.74 117.77 1j3d s LYS 3 Ca 0.00 0.45 0.08 0.00 -0.36 0.00 0.00 55.97 56.13 1j3d s LYS 3 Cb 0.00 -0.68 -0.03 0.00 -1.51 0.00 0.00 37.83 35.61 1j3d s LYS 3 CO 0.00 -0.62 0.35 -0.51 -0.36 0.00 0.00 175.35 174.21 1j3d s ASP 4 N 2.47 4.94 0.16 1.43 1.01 -1.26 -5.03 116.67 120.39 1j3d s ASP 4 Ca 0.10 -0.81 -0.07 0.00 0.71 0.00 0.00 52.55 52.49 1j3d s ASP 4 Cb -0.15 -0.54 0.00 0.00 1.01 0.00 0.00 42.92 43.24 1j3d s ASP 4 CO -0.14 -0.64 1.43 1.55 0.21 0.00 0.00 175.17 177.57 1j3d h PRO 5 N 1.09 0.65 0.00 8.23 0.13 -2.01 -3.15 132.00 136.93 1j3d h PRO 5 Ca -0.42 -0.46 -0.17 0.00 -0.87 0.00 0.00 66.00 64.09 1j3d h PRO 5 Cb 1.26 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1j3d h PRO 5 CO 0.59 1.08 -0.81 -0.91 -0.23 0.00 0.00 178.00 177.72 1j3d h ASN 6 N 0.48 0.00 -4.29 1.44 4.21 -2.06 -3.45 115.58 111.91 1j3d h ASN 6 Ca -0.01 0.00 -0.50 0.00 1.21 0.00 0.00 56.30 57.00 1j3d h ASN 6 Cb 1.21 0.00 0.11 0.00 -1.12 0.00 0.00 38.32 38.52 1j3d h ASN 6 CO 0.12 0.81 0.34 0.00 -1.29 0.00 0.00 177.43 177.41 1j3d s ALA 7 N -3.05 2.33 0.51 -0.83 0.00 -1.19 -5.03 121.76 114.50 1j3d s ALA 7 Ca 0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.77 1j3d s ALA 7 Cb 0.11 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 19.98 1j3d s ALA 7 CO 0.79 -1.62 0.99 -1.25 0.00 0.00 0.00 175.76 174.67 1j3d s PRO 8 N -5.06 3.89 0.59 0.00 0.04 -1.26 -4.73 135.00 128.48 1j3d s PRO 8 Ca 0.60 1.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.50 1j3d s PRO 8 Cb -0.15 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 1j3d s PRO 8 CO 0.55 -0.32 0.51 1.63 0.04 0.00 0.00 177.00 179.41 1j3d n LYS 9 N -1.49 0.48 -1.61 4.56 5.02 -1.26 -4.85 118.16 119.01 1j3d n LYS 9 Ca 0.07 0.19 -0.35 0.00 -2.02 0.00 0.00 58.31 56.20 1j3d n LYS 9 Cb 0.54 -1.71 0.08 0.00 -0.02 0.00 0.00 35.03 33.92 1j3d n LYS 9 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1j3d s ARG 10 N -2.16 2.39 -0.37 1.97 1.04 -1.26 -4.93 118.95 115.63 1j3d s ARG 10 Ca 0.68 1.80 -0.28 0.00 -1.04 0.00 0.00 55.73 56.89 1j3d s ARG 10 Cb -0.43 -1.86 0.02 0.00 -2.04 0.00 0.00 34.95 30.64 1j3d s ARG 10 CO 0.55 -1.65 1.05 -1.25 -0.04 0.00 0.00 175.30 173.96 1j3d s PRO 11 N -3.73 3.94 0.00 3.89 0.04 -1.26 -4.92 135.00 132.95 1j3d s PRO 11 Ca 0.76 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1j3d s PRO 11 Cb -0.30 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1j3d s PRO 11 CO 0.42 -1.02 0.00 -0.35 0.04 0.00 0.00 177.00 176.09 1j3d n PRO 12 N 7.07 0.19 -2.41 0.56 -0.04 -1.26 -4.95 135.00 134.16 1j3d n PRO 12 Ca 0.11 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.54 1j3d n PRO 12 Cb 0.48 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.01 1j3d n PRO 12 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1j3d n SER 13 N -1.31 -1.17 0.00 3.54 7.64 -1.26 -4.78 113.62 116.27 1j3d n SER 13 Ca 0.00 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.00 1j3d n SER 13 Cb 0.00 0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1j3d n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j3d n ALA 14 N -0.78 0.00 0.31 -0.43 0.00 -1.26 -4.13 120.51 114.21 1j3d n ALA 14 Ca -0.12 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.49 1j3d n ALA 14 Cb 0.74 0.00 1.01 0.00 0.00 0.00 0.00 19.45 21.20 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 -0.02 0.00 3.57 -1.96 -1.30 116.94 117.23 1j3d h PHE 15 Ca 0.00 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 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 -0.73 0.35 -2.23 0.00 0.00 178.31 175.70 1j3d h PHE 16 N 0.00 0.21 0.00 0.41 3.04 -1.94 -2.78 116.94 115.88 1j3d h PHE 16 Ca 0.00 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 61.86 1j3d h PHE 16 Cb 0.01 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.49 1j3d h PHE 16 CO 0.00 0.82 0.00 1.28 -2.02 0.00 0.00 178.31 178.39 1j3d n LEU 17 N -3.75 0.32 -0.30 0.59 7.99 -0.49 -0.23 117.00 121.13 1j3d n LEU 17 Ca -0.02 0.66 -0.02 0.00 -0.01 0.00 0.00 56.01 56.62 1j3d n LEU 17 Cb 0.70 -0.29 0.01 0.00 -0.11 0.00 0.00 43.42 43.74 1j3d n LEU 17 CO 0.45 -0.29 0.43 0.33 -1.51 0.00 0.00 177.39 176.81 1j3d n PHE 18 N -1.36 -0.04 -0.20 -1.77 7.35 -1.20 0.74 117.46 120.99 1j3d n PHE 18 Ca 0.00 0.93 -0.09 0.00 -0.76 0.00 0.00 57.45 57.54 1j3d n PHE 18 Cb 0.00 -0.74 0.02 0.00 0.35 0.00 0.00 39.48 39.11 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 0.80 0.02 0.51 0.00 0.87 0.36 -0.09 113.55 116.00 1j3d h SER 20 Ca 0.17 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.52 1j3d h SER 20 Cb 0.36 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 1j3d h SER 20 CO 0.00 0.01 -1.66 -1.84 -0.53 0.00 0.00 176.83 172.81 1j3d n GLU 21 N -4.44 0.64 -0.72 2.24 0.28 -0.54 -4.07 120.64 114.02 1j3d n GLU 21 Ca 0.05 0.18 0.08 0.00 -0.16 0.00 0.00 57.16 57.31 1j3d n GLU 21 Cb 0.40 -1.74 0.37 0.00 1.43 0.00 0.00 31.44 31.90 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 1.70 0.03 -1.84 8.25 -0.62 -4.44 115.22 115.43 1j3d n HIS 22 Ca -0.14 -0.63 -0.20 0.00 -0.26 0.00 0.00 57.72 56.49 1j3d n HIS 22 Cb 0.92 -0.35 -0.14 0.00 1.12 0.00 0.00 29.99 31.54 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 3.98 0.25 0.00 -0.41 2.43 -1.18 -3.23 114.38 116.22 1j3d h ARG 23 Ca 0.00 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1j3d h ARG 23 Cb 1.64 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.35 1j3d h ARG 23 CO 0.33 1.21 0.00 -0.35 -1.51 0.00 0.00 179.97 179.65 1j3d n PRO 24 N -4.16 0.31 0.01 0.20 -0.04 -1.26 -3.28 135.00 126.78 1j3d n PRO 24 Ca -0.16 0.07 -0.20 0.00 -0.04 0.00 0.00 63.50 63.18 1j3d n PRO 24 Cb 0.79 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.25 0.00 0.54 3.64 -1.82 -3.33 116.57 115.85 1j3d h LYS 25 Ca 0.00 -0.42 -0.04 0.00 -1.27 0.00 0.00 60.65 58.92 1j3d h LYS 25 Cb 0.22 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1j3d h LYS 25 CO 0.00 1.15 -0.18 0.82 -2.27 0.00 0.00 179.45 178.97 1j3d h ILE 26 N 0.07 0.41 0.00 2.00 1.08 -1.56 -2.83 117.51 116.67 1j3d h ILE 26 Ca -0.40 -1.08 0.00 0.00 -0.39 0.00 0.00 64.86 62.98 1j3d h ILE 26 Cb 2.04 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 37.59 1j3d h ILE 26 CO 0.10 0.18 0.00 0.11 -0.69 0.00 0.00 178.15 177.84 1j3d h LYS 27 N 0.00 0.00 -0.01 2.37 1.57 -1.69 -2.72 116.57 116.09 1j3d h LYS 27 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1j3d h LYS 27 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1j3d h LYS 27 CO 0.02 0.00 -0.14 1.03 -0.57 0.00 0.00 179.45 179.80 1j3d h SER 28 N 0.00 0.13 -0.10 0.86 0.87 -1.60 -3.20 113.55 110.51 1j3d h SER 28 Ca 0.00 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 1j3d h SER 28 Cb 0.88 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1j3d h SER 28 CO 0.00 0.86 0.00 -0.62 -0.53 0.00 0.00 176.83 176.54 1j3d n GLU 29 N -4.61 1.36 -3.13 2.24 1.02 -1.23 -4.42 120.64 111.87 1j3d n GLU 29 Ca -0.09 -0.55 -0.11 0.00 -0.02 0.00 0.00 57.16 56.39 1j3d n GLU 29 Cb 0.44 -1.28 -0.04 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.86 -0.80 0.06 -0.32 3.76 -1.02 -5.11 115.29 110.00 1j3d s HIS 30 Ca 0.25 -0.78 -0.31 0.00 -0.15 0.00 0.00 55.06 54.07 1j3d s HIS 30 Cb 0.12 -0.10 -0.07 0.00 1.11 0.00 0.00 32.58 33.64 1j3d s HIS 30 CO 0.19 -1.09 1.51 -1.25 -0.85 0.00 0.00 174.74 173.25 1j3d s PRO 31 N 1.08 4.25 0.00 8.40 0.04 -1.22 -1.97 135.00 145.59 1j3d s PRO 31 Ca 0.24 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1j3d s PRO 31 Cb -0.04 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1j3d s PRO 31 CO -0.07 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.77 1j3d n GLY 32 N 3.76 3.13 3.49 0.56 0.00 -1.26 -4.99 105.19 109.88 1j3d n GLY 32 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 1.53 0.00 0.99 -0.00 -0.83 -4.91 117.00 113.78 1j3d n LEU 33 Ca 0.00 0.03 -0.09 0.00 -0.00 0.00 0.00 56.01 55.95 1j3d n LEU 33 Cb 0.00 -1.25 0.08 0.00 -0.00 0.00 0.00 43.42 42.26 1j3d n LEU 33 CO 0.00 -1.02 0.10 -1.54 -0.00 0.00 0.00 177.39 174.93 1j3d n SER 34 N 12.08 -2.40 -1.28 1.96 3.41 -1.26 -4.85 113.62 121.28 1j3d n SER 34 Ca 0.49 -0.25 0.05 0.00 -0.26 0.00 0.00 58.87 58.90 1j3d n SER 34 Cb 0.26 -0.31 0.25 0.00 -0.26 0.00 0.00 64.21 64.15 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 -3.70 1.52 -0.12 -1.33 -0.00 -1.26 -4.16 119.36 110.31 1j3d n ILE 35 Ca 0.04 -0.84 -0.23 0.00 -0.00 0.00 0.00 62.75 61.72 1j3d n ILE 35 Cb 0.17 -0.20 -0.08 0.00 -0.00 0.00 0.00 39.64 39.53 1j3d n ILE 35 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1j3d n GLY 36 N 0.60 -0.47 0.17 7.39 0.00 -1.26 -3.73 105.19 107.89 1j3d n GLY 36 Ca 0.17 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.97 0.45 0.30 1.61 3.32 -1.94 -2.17 116.42 117.03 1j3d h ASP 37 Ca -0.47 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.39 1j3d h ASP 37 Cb 1.40 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1j3d h ASP 37 CO -0.28 0.44 -0.33 0.00 -1.72 0.00 0.00 179.24 177.34 1j3d h THR 38 N 0.43 1.25 0.00 0.35 1.03 -1.81 -1.67 112.91 112.48 1j3d h THR 38 Ca 0.12 -1.20 -0.05 0.00 -0.01 0.00 0.00 66.41 65.28 1j3d h THR 38 Cb 0.10 1.61 -0.01 0.00 -1.07 0.00 0.00 68.15 68.78 1j3d h THR 38 CO -0.02 0.35 -0.22 0.00 -0.01 0.00 0.00 175.52 175.62 1j3d h ALA 39 N 1.62 1.46 0.04 0.00 0.00 -1.51 0.28 119.26 121.15 1j3d h ALA 39 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.49 1j3d h ALA 39 Cb 0.62 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1j3d h ALA 39 CO 0.05 0.28 -1.03 0.87 0.00 0.00 0.00 179.25 179.41 1j3d h LYS 40 N 0.00 0.12 0.00 0.00 6.56 -0.71 -2.12 116.57 120.42 1j3d h LYS 40 Ca -0.00 -0.18 -0.03 0.00 -1.06 0.00 0.00 60.65 59.38 1j3d h LYS 40 Cb 0.44 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1j3d h LYS 40 CO 0.03 1.04 -0.47 -0.22 -2.06 0.00 0.00 179.45 177.77 1j3d h LYS 41 N 0.05 0.00 0.00 3.15 3.64 -0.91 -3.18 116.57 119.32 1j3d h LYS 41 Ca -0.05 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1j3d h LYS 41 Cb 1.75 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.56 1j3d h LYS 41 CO 0.15 0.09 -0.24 -0.07 -2.27 0.00 0.00 179.45 177.11 1j3d h LEU 42 N 0.00 0.00 -1.97 5.20 4.07 -0.47 -3.15 115.31 118.99 1j3d h LEU 42 Ca -0.01 -0.25 0.18 0.00 0.08 0.00 0.00 57.88 57.87 1j3d h LEU 42 Cb 1.10 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.81 1j3d h LEU 42 CO 0.01 0.76 0.52 1.23 -1.08 0.00 0.00 178.44 179.88 1j3d h GLY 43 N -1.00 0.00 1.31 0.83 0.00 -1.54 0.81 103.07 103.48 1j3d h GLY 43 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.13 1j3d h GLY 43 CO -0.02 0.00 -0.49 -2.09 0.00 0.00 0.00 176.54 173.93 1j3d h GLU 44 N 0.00 0.73 0.20 4.80 4.57 -1.65 -2.47 114.58 120.77 1j3d h GLU 44 Ca 0.29 -0.43 -0.27 0.00 -1.18 0.00 0.00 59.36 57.76 1j3d h GLU 44 Cb 1.33 0.04 0.03 0.00 -0.16 0.00 0.00 28.75 29.98 1j3d h GLU 44 CO -0.00 1.06 -1.20 0.52 -1.18 0.00 0.00 179.01 178.20 1j3d h MET 45 N 0.58 0.43 -0.47 1.92 2.86 0.27 -3.27 114.93 117.24 1j3d h MET 45 Ca 0.03 -0.74 0.09 0.00 -2.06 0.00 0.00 59.70 57.02 1j3d h MET 45 Cb 1.06 0.27 -0.08 0.00 0.06 0.00 0.00 31.60 32.92 1j3d h MET 45 CO 0.10 1.35 0.00 2.35 1.06 0.00 0.00 176.91 181.78 1j3d h TRP 46 N -0.09 -0.03 0.00 -0.22 -0.00 0.28 0.64 115.95 116.53 1j3d h TRP 46 Ca -0.21 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.71 1j3d h TRP 46 Cb 1.94 0.08 0.00 0.00 -0.00 0.00 0.00 29.16 31.18 1j3d h TRP 46 CO 0.16 -0.10 0.00 0.45 -0.00 0.00 0.00 178.44 178.95 1j3d n SER 47 N -5.22 0.01 -0.00 2.65 2.88 -0.93 -1.57 113.62 111.44 1j3d n SER 47 Ca 0.05 0.50 0.09 0.00 -1.33 0.00 0.00 58.87 58.18 1j3d n SER 47 Cb 0.25 -0.51 -0.12 0.00 -0.75 0.00 0.00 64.21 63.09 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 -1.51 0.91 -1.81 -1.46 -0.58 0.20 -4.97 120.64 111.41 1j3d n GLU 48 Ca 0.02 -0.07 -0.40 0.00 -0.42 0.00 0.00 57.16 56.29 1j3d n GLU 48 Cb 0.09 -1.38 0.01 0.00 -0.57 0.00 0.00 31.44 29.60 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 -2.92 3.78 0.00 3.49 -1.52 -0.05 -5.01 119.66 117.42 1j3d s GLN 49 Ca 0.01 2.43 0.00 0.00 -1.95 0.00 0.00 55.36 55.85 1j3d s GLN 49 Cb 0.13 -2.72 0.00 0.00 -0.22 0.00 0.00 33.01 30.20 1j3d s GLN 49 CO 0.74 -0.75 0.00 -1.13 -0.25 0.00 0.00 175.29 173.90 1j3d n SER 50 N -0.05 0.00 -0.44 5.90 3.41 -1.26 -4.88 113.62 116.30 1j3d n SER 50 Ca 0.04 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.74 1j3d n SER 50 Cb 0.41 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.37 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 3.09 0.09 7.33 0.00 -1.26 -4.14 120.51 122.62 1j3d n ALA 51 Ca 0.00 -0.57 -0.22 0.00 0.00 0.00 0.00 53.44 52.65 1j3d n ALA 51 Cb 0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 19.45 18.71 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 2.14 0.41 -2.02 0.00 3.64 -2.01 -3.27 116.57 115.46 1j3d h LYS 52 Ca 0.00 -0.70 -0.58 0.00 -1.27 0.00 0.00 60.65 58.10 1j3d h LYS 52 Cb 0.60 0.26 -0.42 0.00 -0.41 0.00 0.00 32.23 32.26 1j3d h LYS 52 CO 0.00 1.33 -0.70 -0.25 -2.27 0.00 0.00 179.45 177.57 1j3d n ASP 53 N -3.92 4.39 0.00 4.20 9.92 -1.26 -4.69 116.55 125.18 1j3d n ASP 53 Ca -0.16 -3.66 0.00 0.00 -0.53 0.00 0.00 54.79 50.44 1j3d n ASP 53 Cb 0.96 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1j3d n ASP 53 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1j3d n LYS 54 N -0.30 0.00 0.12 -1.24 4.81 -1.26 -4.72 118.16 115.57 1j3d n LYS 54 Ca 0.33 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.66 1j3d n LYS 54 Cb 0.49 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.47 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 -0.35 0.00 1.64 1.08 -1.75 -2.86 115.11 112.88 1j3d h GLN 55 Ca 0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1j3d h GLN 55 Cb 0.00 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1j3d h GLN 55 CO 0.00 -0.01 0.00 -0.35 -0.95 0.00 0.00 178.83 177.52 1j3d n PRO 56 N -5.03 0.19 0.02 1.46 -0.04 -1.26 -3.04 135.00 127.30 1j3d n PRO 56 Ca -0.08 0.12 -0.22 0.00 -0.04 0.00 0.00 63.50 63.29 1j3d n PRO 56 Cb 0.26 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.07 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 0.51 0.00 0.54 -1.99 -1.90 -3.20 116.97 110.93 1j3d h TYR 57 Ca 0.00 -0.37 -0.01 0.00 2.00 0.00 0.00 58.73 60.34 1j3d h TYR 57 Cb 0.23 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 38.94 1j3d h TYR 57 CO 0.00 1.57 -0.06 1.05 -0.00 0.00 0.00 178.16 180.72 1j3d h GLU 58 N -0.21 0.00 0.00 4.88 -0.00 -1.49 -3.14 114.58 114.61 1j3d h GLU 58 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.05 1j3d h GLU 58 Cb 1.83 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.58 1j3d h GLU 58 CO 0.09 0.06 0.00 1.04 -0.00 0.00 0.00 179.01 180.20 1j3d n GLN 59 N -3.13 0.00 -0.11 1.06 6.02 -1.17 -1.37 117.38 118.69 1j3d n GLN 59 Ca 0.03 0.48 0.27 0.00 -0.01 0.00 0.00 57.00 57.76 1j3d n GLN 59 Cb 0.49 -0.99 0.66 0.00 1.02 0.00 0.00 30.24 31.41 1j3d n GLN 59 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1j3d h LYS 60 N 0.00 0.00 0.14 -1.09 3.64 -1.72 0.31 116.57 117.85 1j3d h LYS 60 Ca 0.00 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 1j3d h LYS 60 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1j3d h LYS 60 CO 0.00 0.00 -1.80 0.00 -2.27 0.00 0.00 179.45 175.38 1j3d h ALA 61 N 1.16 0.33 -0.39 5.00 0.00 -1.67 -3.12 119.26 120.57 1j3d h ALA 61 Ca 0.38 -1.25 0.01 0.00 0.00 0.00 0.00 54.91 54.05 1j3d h ALA 61 Cb 1.98 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 20.26 1j3d h ALA 61 CO -0.00 1.20 0.25 0.00 0.00 0.00 0.00 179.25 180.69 1j3d h ALA 62 N 0.24 0.49 0.49 0.00 0.00 0.84 0.90 119.26 122.23 1j3d h ALA 62 Ca -0.35 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1j3d h ALA 62 Cb 2.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1j3d h ALA 62 CO 0.14 -0.07 -0.24 -0.22 0.00 0.00 0.00 179.25 178.86 1j3d h LYS 63 N 0.51 -0.63 -0.80 0.00 3.64 -1.45 -0.10 116.57 117.73 1j3d h LYS 63 Ca 0.15 0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.76 1j3d h LYS 63 Cb -0.04 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 1j3d h LYS 63 CO -0.05 -0.33 0.55 -0.07 -2.27 0.00 0.00 179.45 177.29 1j3d h LEU 64 N -0.97 0.25 0.12 5.20 3.38 -1.48 0.46 115.31 122.27 1j3d h LEU 64 Ca -0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1j3d h LEU 64 Cb 0.60 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1j3d h LEU 64 CO 0.11 0.11 -0.06 0.50 0.09 0.00 0.00 178.44 179.19 1j3d h LYS 65 N 0.26 -0.15 -0.40 1.13 3.64 -0.66 -1.89 116.57 118.50 1j3d h LYS 65 Ca 0.40 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1j3d h LYS 65 Cb 1.18 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1j3d h LYS 65 CO -0.10 0.33 0.24 1.49 -2.27 0.00 0.00 179.45 179.14 1j3d h GLU 66 N -0.82 0.53 0.00 1.90 4.81 0.00 -1.17 114.58 119.84 1j3d h GLU 66 Ca -0.02 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1j3d h GLU 66 Cb 0.56 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1j3d h GLU 66 CO 0.03 0.37 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.35 1j3d h LYS 67 N 0.54 0.00 -0.36 1.92 3.64 -0.14 -3.19 116.57 118.97 1j3d h LYS 67 Ca 0.14 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 1j3d h LYS 67 Cb -0.03 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1j3d h LYS 67 CO -0.03 0.11 -0.30 -0.92 -2.27 0.00 0.00 179.45 176.03 1j3d h TYR 68 N 0.00 0.92 -0.26 1.91 3.20 -0.35 0.21 116.97 122.60 1j3d h TYR 68 Ca -0.00 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1j3d h TYR 68 Cb 0.89 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1j3d h TYR 68 CO 0.00 0.99 0.16 0.93 -1.64 0.00 0.00 178.16 178.60 1j3d h GLU 69 N 0.67 0.34 0.05 1.82 5.08 -1.52 0.25 114.58 121.27 1j3d h GLU 69 Ca 0.08 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 58.08 1j3d h GLU 69 Cb 0.84 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1j3d h GLU 69 CO 0.07 0.23 -1.94 1.63 -1.00 0.00 0.00 179.01 178.00 1j3d n LYS 70 N -4.49 0.69 0.36 2.33 4.76 -1.09 -3.30 118.16 117.42 1j3d n LYS 70 Ca 0.01 0.25 -0.17 0.00 -2.87 0.00 0.00 58.31 55.53 1j3d n LYS 70 Cb 0.08 -1.72 -0.09 0.00 -1.84 0.00 0.00 35.03 31.47 1j3d n LYS 70 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1j3d h ASP 71 N 0.03 -0.75 -0.40 4.39 3.32 -0.18 -1.62 116.42 121.21 1j3d h ASP 71 Ca -0.39 -0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.72 1j3d h ASP 71 Cb 2.03 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 41.73 1j3d h ASP 71 CO 0.07 -0.48 0.08 0.40 -1.72 0.00 0.00 179.24 177.59 1j3d h ILE 72 N -0.99 0.80 0.36 0.35 1.08 -0.71 -0.16 117.51 118.24 1j3d h ILE 72 Ca -0.09 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1j3d h ILE 72 Cb 0.71 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 35.00 1j3d h ILE 72 CO 0.15 0.04 -0.43 0.00 -0.69 0.00 0.00 178.15 177.22 1j3d h ALA 73 N 1.30 -0.91 -0.40 1.87 0.00 -1.53 0.99 119.26 120.59 1j3d h ALA 73 Ca 0.19 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1j3d h ALA 73 Cb 0.23 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1j3d h ALA 73 CO -0.25 -1.06 0.27 0.00 0.00 0.00 0.00 179.25 178.22 1j3d h ALA 74 N -0.48 2.04 0.00 0.00 0.00 -1.07 0.30 119.26 120.05 1j3d h ALA 74 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1j3d h ALA 74 Cb 0.75 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1j3d h ALA 74 CO -0.10 -0.12 -0.42 -0.92 0.00 0.00 0.00 179.25 177.69 1j3d h TYR 75 N 0.26 0.00 0.00 0.00 3.20 -0.13 -3.29 116.97 117.02 1j3d h TYR 75 Ca 0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1j3d h TYR 75 Cb 0.37 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1j3d h TYR 75 CO -0.00 0.00 0.00 -2.13 -1.64 0.00 0.00 178.16 174.39 1j3d n ARG 76 N -2.29 0.37 -3.81 1.82 0.00 0.33 -4.21 116.66 108.87 1j3d n ARG 76 Ca 0.04 0.07 -0.28 0.00 -0.00 0.00 0.00 57.85 57.67 1j3d n ARG 76 Cb 0.45 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 31.29 1j3d n ARG 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1j3d s ALA 77 N -2.48 3.18 0.00 5.13 0.00 -1.23 -5.08 121.76 121.27 1j3d s ALA 77 Ca 0.22 -3.40 0.00 0.00 0.00 0.00 0.00 51.96 48.79 1j3d s ALA 77 Cb 0.15 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1j3d s ALA 77 CO 0.32 -2.06 0.00 1.63 0.00 0.00 0.00 175.76 175.65