#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3c s LYS 2 N 0.00 2.76 -0.29 2.12 1.02 -1.26 -5.01 119.74 119.09 1j3c s LYS 2 Ca 0.00 -2.15 -0.18 0.00 0.02 0.00 0.00 55.97 53.66 1j3c s LYS 2 Cb 0.00 -3.99 0.15 0.00 -0.52 0.00 0.00 37.83 33.47 1j3c s LYS 2 CO 0.00 -1.21 1.03 0.21 -0.92 0.00 0.00 175.35 174.46 1j3c s LYS 3 N 0.68 0.37 0.00 1.68 2.20 -1.26 -5.09 119.74 118.31 1j3c s LYS 3 Ca 0.12 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 1j3c s LYS 3 Cb -0.21 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.22 1j3c s LYS 3 CO -0.03 -0.07 0.88 1.63 -0.36 0.00 0.00 175.35 177.40 1j3c n LYS 4 N 3.23 0.00 -3.49 4.03 5.02 -1.26 -4.97 118.16 120.72 1j3c n LYS 4 Ca -0.17 0.39 -0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1j3c n LYS 4 Cb 0.57 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 1j3c n LYS 4 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1j3c s ASP 5 N -2.00 -0.48 0.14 4.39 1.01 -1.26 -5.02 116.67 113.45 1j3c s ASP 5 Ca 0.00 0.15 -0.08 0.00 0.71 0.00 0.00 52.55 53.33 1j3c s ASP 5 Cb 0.00 0.47 -0.06 0.00 1.01 0.00 0.00 42.92 44.35 1j3c s ASP 5 CO 0.00 -0.71 1.37 1.55 0.21 0.00 0.00 175.17 177.59 1j3c h PRO 6 N 2.20 0.64 0.00 8.23 0.13 -2.03 -3.16 132.00 138.01 1j3c h PRO 6 Ca -0.26 -0.51 -0.01 0.00 -0.87 0.00 0.00 66.00 64.34 1j3c h PRO 6 Cb 1.24 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1j3c h PRO 6 CO 0.34 1.13 -0.06 -0.91 -0.23 0.00 0.00 178.00 178.28 1j3c h ASN 7 N 0.44 0.00 -2.96 1.44 2.35 -2.04 -3.44 115.58 111.38 1j3c h ASN 7 Ca -0.04 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.08 1j3c h ASN 7 Cb 1.34 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.62 1j3c h ASN 7 CO 0.14 0.06 -0.46 0.00 -1.65 0.00 0.00 177.43 175.52 1j3c s ALA 8 N -3.22 3.77 -0.41 -0.83 0.00 -1.20 -5.03 121.76 114.84 1j3c s ALA 8 Ca 0.06 -0.62 -0.28 0.00 0.00 0.00 0.00 51.96 51.11 1j3c s ALA 8 Cb 0.06 -2.10 -0.00 0.00 0.00 0.00 0.00 23.12 21.07 1j3c s ALA 8 CO 0.67 0.39 1.60 -1.25 0.00 0.00 0.00 175.76 177.16 1j3c s PRO 9 N -0.36 3.38 0.00 0.00 0.04 -1.26 -4.38 135.00 132.41 1j3c s PRO 9 Ca 0.13 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1j3c s PRO 9 Cb -0.12 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1j3c s PRO 9 CO 0.02 -1.81 0.00 0.36 0.04 0.00 0.00 177.00 175.61 1j3c n LYS 10 N 8.37 -0.85 -1.81 4.56 0.00 -1.26 -4.86 118.16 122.31 1j3c n LYS 10 Ca 0.19 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 58.09 1j3c n LYS 10 Cb 0.48 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.52 1j3c n LYS 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1j3c s ARG 11 N -1.86 3.93 0.12 -1.58 3.00 -1.26 -4.94 118.95 116.36 1j3c s ARG 11 Ca 0.00 2.50 -0.30 0.00 0.00 0.00 0.00 55.73 57.92 1j3c s ARG 11 Cb 0.00 -2.83 -0.07 0.00 0.00 0.00 0.00 34.95 32.05 1j3c s ARG 11 CO 0.00 -0.65 1.17 -1.25 0.00 0.00 0.00 175.30 174.57 1j3c s PRO 12 N -2.25 4.49 0.31 3.54 0.04 -1.26 -5.04 135.00 134.83 1j3c s PRO 12 Ca 0.56 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 63.32 1j3c s PRO 12 Cb -0.45 -3.31 0.07 0.00 0.04 0.00 0.00 34.50 30.85 1j3c s PRO 12 CO 0.60 -0.13 0.42 -0.35 0.04 0.00 0.00 177.00 177.58 1j3c n PRO 13 N 3.23 -0.35 -2.70 0.56 -0.04 -1.26 -5.07 135.00 129.37 1j3c n PRO 13 Ca 0.06 -0.68 -0.06 0.00 -0.04 0.00 0.00 63.50 62.78 1j3c n PRO 13 Cb 0.46 -0.42 0.10 0.00 -0.04 0.00 0.00 33.50 33.60 1j3c n PRO 13 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3c n SER 14 N -3.25 -1.80 0.00 3.54 2.88 -1.26 -4.84 113.62 108.89 1j3c n SER 14 Ca 0.05 -2.78 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 1j3c n SER 14 Cb 0.19 1.53 0.00 0.00 -0.75 0.00 0.00 64.21 65.18 1j3c n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3c n ALA 15 N 0.36 0.00 -0.18 -1.46 0.00 -1.26 -4.26 120.51 113.71 1j3c n ALA 15 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1j3c n ALA 15 Cb 0.73 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.20 1j3c n ALA 15 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1j3c h PHE 16 N 0.00 -0.67 -1.01 0.00 3.57 -1.96 0.12 116.94 116.99 1j3c h PHE 16 Ca 0.00 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1j3c h PHE 16 Cb 0.00 0.38 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 1j3c h PHE 16 CO 0.00 -0.34 0.66 0.74 -2.23 0.00 0.00 178.31 177.14 1j3c h PHE 17 N -0.13 1.23 -0.40 0.41 -1.00 -1.95 0.12 116.94 115.22 1j3c h PHE 17 Ca 0.24 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.04 1j3c h PHE 17 Cb 0.51 -0.41 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 1j3c h PHE 17 CO -0.55 0.68 0.19 -0.07 -1.61 0.00 0.00 178.31 176.95 1j3c h LEU 18 N 1.24 0.52 0.09 1.54 3.38 -1.17 -0.62 115.31 120.29 1j3c h LEU 18 Ca 0.42 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1j3c h LEU 18 Cb 0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1j3c h LEU 18 CO -0.15 0.49 -0.05 0.15 0.09 0.00 0.00 178.44 178.98 1j3c h PHE 19 N 0.50 -0.12 0.24 1.13 3.04 -0.33 -2.40 116.94 119.00 1j3c h PHE 19 Ca 0.14 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.09 1j3c h PHE 19 Cb 0.11 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 1j3c h PHE 19 CO -0.01 0.28 -0.28 0.00 -2.02 0.00 0.00 178.31 176.28 1j3c h SER 21 N -0.56 0.01 0.83 0.00 4.64 -1.19 0.61 113.55 117.89 1j3c h SER 21 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1j3c h SER 21 Cb 0.53 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1j3c h SER 21 CO -0.08 0.01 -1.24 -0.33 -0.87 0.00 0.00 176.83 174.31 1j3c h GLU 22 N 0.01 0.00 0.02 4.77 4.39 -0.81 -3.39 114.58 119.58 1j3c h GLU 22 Ca 0.13 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.47 1j3c h GLU 22 Cb 0.49 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 1j3c h GLU 22 CO -0.00 0.18 -2.19 0.66 -1.16 0.00 0.00 179.01 176.50 1j3c n TYR 23 N -2.81 0.45 -0.14 4.33 4.02 0.23 -4.33 117.16 118.90 1j3c n TYR 23 Ca -0.06 0.13 -0.06 0.00 -0.01 0.00 0.00 57.90 57.91 1j3c n TYR 23 Cb 0.73 -1.07 0.01 0.00 -0.02 0.00 0.00 39.34 38.98 1j3c n TYR 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1j3c h ARG 24 N 0.01 -0.17 -0.05 -0.72 3.08 -0.00 0.19 114.38 116.73 1j3c h ARG 24 Ca -0.47 0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.60 1j3c h ARG 24 Cb 2.07 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 32.16 1j3c h ARG 24 CO 0.02 -0.11 0.04 -1.00 -1.07 0.00 0.00 179.97 177.85 1j3c h PRO 25 N -0.17 0.00 -0.21 0.04 0.13 -1.78 -0.82 132.00 129.18 1j3c h PRO 25 Ca 0.21 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.27 1j3c h PRO 25 Cb 0.50 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 1j3c h PRO 25 CO -0.56 0.00 -0.14 -0.22 -0.23 0.00 0.00 178.00 176.85 1j3c h LYS 26 N 0.00 0.47 -0.08 0.86 3.11 -0.88 -2.74 116.57 117.32 1j3c h LYS 26 Ca 0.03 -0.22 0.02 0.00 -2.81 0.00 0.00 60.65 57.67 1j3c h LYS 26 Cb 0.11 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.33 1j3c h LYS 26 CO -0.00 0.78 0.07 0.82 -2.81 0.00 0.00 179.45 178.31 1j3c h ILE 27 N 0.17 0.70 -0.01 2.00 1.08 0.24 -2.03 117.51 119.67 1j3c h ILE 27 Ca 0.04 0.00 -0.22 0.00 -0.39 0.00 0.00 64.86 64.30 1j3c h ILE 27 Cb 0.65 0.95 -0.00 0.00 -3.07 0.00 0.00 36.82 35.35 1j3c h ILE 27 CO 0.04 0.00 -0.91 0.11 -0.69 0.00 0.00 178.15 176.70 1j3c h LYS 28 N 0.00 0.38 0.00 2.37 1.79 -1.13 0.69 116.57 120.67 1j3c h LYS 28 Ca 0.04 -0.39 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 1j3c h LYS 28 Cb 0.18 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1j3c h LYS 28 CO -0.00 1.07 -0.03 1.03 -1.08 0.00 0.00 179.45 180.43 1j3c h SER 29 N 0.22 0.00 0.00 0.86 0.87 -1.22 -3.12 113.55 111.15 1j3c h SER 29 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1j3c h SER 29 Cb 1.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1j3c h SER 29 CO 0.15 0.03 -0.03 -0.62 -0.53 0.00 0.00 176.83 175.84 1j3c n GLU 30 N -3.25 6.29 -3.63 2.24 -0.58 -1.17 -4.92 120.64 115.62 1j3c n GLU 30 Ca -0.01 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.43 1j3c n GLU 30 Cb 0.20 -0.48 -0.14 0.00 -0.57 0.00 0.00 31.44 30.45 1j3c n GLU 30 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1j3c s HIS 31 N -0.96 1.35 0.19 -0.32 3.76 0.24 -4.96 115.29 114.58 1j3c s HIS 31 Ca 0.00 -1.81 0.03 0.00 -0.15 0.00 0.00 55.06 53.13 1j3c s HIS 31 Cb 0.00 -1.45 0.07 0.00 1.11 0.00 0.00 32.58 32.30 1j3c s HIS 31 CO 0.00 -0.83 1.43 -1.00 -0.85 0.00 0.00 174.74 173.49 1j3c h PRO 32 N 7.42 0.20 0.00 8.40 0.13 -1.80 -3.07 132.00 143.28 1j3c h PRO 32 Ca -0.05 -0.19 -0.05 0.00 -0.87 0.00 0.00 66.00 64.83 1j3c h PRO 32 Cb 0.97 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1j3c h PRO 32 CO 0.42 0.89 -0.25 0.78 -0.23 0.00 0.00 178.00 179.61 1j3c h GLY 33 N 1.77 0.00 -7.17 1.56 0.00 -1.93 -3.42 103.07 93.87 1j3c h GLY 33 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 1j3c h GLY 33 CO 0.12 0.00 0.42 1.04 0.00 0.00 0.00 176.54 178.13 1j3c n LEU 34 N -3.24 0.76 -4.85 3.11 7.99 -1.16 -4.91 117.00 114.70 1j3c n LEU 34 Ca 0.02 -1.63 -0.29 0.00 -0.01 0.00 0.00 56.01 54.09 1j3c n LEU 34 Cb 0.55 -1.40 0.13 0.00 -0.11 0.00 0.00 43.42 42.60 1j3c n LEU 34 CO 0.36 -2.66 0.77 -0.44 -1.51 0.00 0.00 177.39 173.90 1j3c s SER 35 N 7.39 3.65 0.53 -1.43 0.01 -1.26 -4.51 113.70 118.08 1j3c s SER 35 Ca 0.86 0.73 0.29 0.00 1.31 0.00 0.00 55.95 59.14 1j3c s SER 35 Cb -0.21 -1.15 1.44 0.00 0.21 0.00 0.00 66.02 66.32 1j3c s SER 35 CO 0.18 -2.44 1.94 0.40 0.41 0.00 0.00 173.24 173.73 1j3c h ILE 36 N -1.43 0.64 0.33 1.44 1.08 -1.95 0.84 117.51 118.46 1j3c h ILE 36 Ca -0.47 -0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 1j3c h ILE 36 Cb 1.31 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 1j3c h ILE 36 CO 0.57 0.00 -0.16 1.23 -0.69 0.00 0.00 178.15 179.10 1j3c h GLY 37 N 0.00 -0.46 1.88 5.37 0.00 -1.97 0.12 103.07 108.01 1j3c h GLY 37 Ca 0.35 0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.73 1j3c h GLY 37 CO -0.00 -0.17 -0.48 -0.55 0.00 0.00 0.00 176.54 175.34 1j3c h ASP 38 N -0.45 0.14 0.14 0.19 3.32 -1.80 -2.79 116.42 115.17 1j3c h ASP 38 Ca -0.04 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1j3c h ASP 38 Cb 0.34 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1j3c h ASP 38 CO 0.07 0.60 -0.21 0.74 -1.72 0.00 0.00 179.24 178.72 1j3c h THR 39 N 0.11 1.20 -0.00 0.35 2.02 0.72 0.61 112.91 117.92 1j3c h THR 39 Ca 0.00 -0.92 -0.20 0.00 0.77 0.00 0.00 66.41 66.06 1j3c h THR 39 Cb 0.89 1.37 0.02 0.00 -1.74 0.00 0.00 68.15 68.69 1j3c h THR 39 CO 0.07 0.28 -0.77 0.00 0.37 0.00 0.00 175.52 175.46 1j3c h ALA 40 N 1.64 0.09 0.00 6.16 0.00 -0.49 -3.23 119.26 123.43 1j3c h ALA 40 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1j3c h ALA 40 Cb 0.46 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1j3c h ALA 40 CO 0.03 0.48 -0.52 0.36 0.00 0.00 0.00 179.25 179.60 1j3c n LYS 41 N -4.08 0.15 0.01 0.00 2.85 -1.10 -4.14 118.16 111.85 1j3c n LYS 41 Ca -0.11 0.05 -0.04 0.00 -1.05 0.00 0.00 58.31 57.16 1j3c n LYS 41 Cb 0.75 -1.60 -0.02 0.00 -0.65 0.00 0.00 35.03 33.51 1j3c n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1j3c h LYS 42 N 0.00 -0.13 -0.98 -1.58 1.63 0.15 -3.30 116.57 112.36 1j3c h LYS 42 Ca 0.00 0.01 0.29 0.00 -0.85 0.00 0.00 60.65 60.09 1j3c h LYS 42 Cb 0.63 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.25 1j3c h LYS 42 CO 0.00 0.01 0.81 -0.07 -3.45 0.00 0.00 179.45 176.75 1j3c h LEU 43 N -1.02 0.00 -0.92 5.20 3.38 -1.74 0.46 115.31 120.67 1j3c h LEU 43 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1j3c h LEU 43 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1j3c h LEU 43 CO 0.02 0.00 0.08 1.23 0.09 0.00 0.00 178.44 179.86 1j3c h GLY 44 N 0.00 0.94 -0.09 0.83 0.00 -1.72 -2.35 103.07 100.68 1j3c h GLY 44 Ca 0.47 -0.59 0.27 0.00 0.00 0.00 0.00 47.33 47.48 1j3c h GLY 44 CO -0.00 0.55 0.68 -2.09 0.00 0.00 0.00 176.54 175.67 1j3c h GLU 45 N 0.83 0.31 0.09 4.80 4.57 -0.16 -0.82 114.58 124.21 1j3c h GLU 45 Ca 0.17 -0.02 -0.34 0.00 -1.18 0.00 0.00 59.36 57.99 1j3c h GLU 45 Cb 0.38 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 1j3c h GLU 45 CO 0.01 0.21 -1.87 0.52 -1.18 0.00 0.00 179.01 176.70 1j3c h MET 46 N 0.32 0.19 0.00 1.92 2.86 -1.60 -3.26 114.93 115.35 1j3c h MET 46 Ca 0.56 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1j3c h MET 46 Cb 1.57 0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.35 1j3c h MET 46 CO -0.22 0.99 0.00 1.87 1.06 0.00 0.00 176.91 180.61 1j3c n TRP 47 N -3.35 0.38 -0.13 -0.22 -0.00 -0.42 -2.43 117.44 111.26 1j3c n TRP 47 Ca -0.26 0.17 -0.21 0.00 -0.00 0.00 0.00 57.50 57.20 1j3c n TRP 47 Cb 1.05 -0.77 -0.11 0.00 -0.00 0.00 0.00 31.31 31.47 1j3c n TRP 47 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1j3c n SER 48 N -1.86 1.98 0.21 5.87 2.88 -0.56 -4.41 113.62 117.72 1j3c n SER 48 Ca 0.01 -0.01 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1j3c n SER 48 Cb 0.11 -0.52 0.45 0.00 -0.75 0.00 0.00 64.21 63.50 1j3c n SER 48 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1j3c h GLU 49 N -0.27 0.00 -7.02 -1.46 4.11 -1.58 -3.44 114.58 104.92 1j3c h GLU 49 Ca -0.61 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 58.25 1j3c h GLU 49 Cb 1.82 0.00 0.16 0.00 0.50 0.00 0.00 28.75 31.24 1j3c h GLU 49 CO -0.18 0.28 0.37 0.00 0.07 0.00 0.00 179.01 179.55 1j3c n GLN 50 N -4.09 0.98 0.00 1.06 10.64 -1.02 -5.03 117.38 119.92 1j3c n GLN 50 Ca -0.02 0.39 0.00 0.00 -1.83 0.00 0.00 57.00 55.54 1j3c n GLN 50 Cb 0.34 -2.41 0.00 0.00 -0.86 0.00 0.00 30.24 27.31 1j3c n GLN 50 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1j3c n SER 51 N -1.63 0.00 -2.55 2.61 2.88 -1.26 -4.92 113.62 108.75 1j3c n SER 51 Ca 0.15 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.44 1j3c n SER 51 Cb 0.48 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.86 1j3c n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3c n ALA 52 N -3.00 6.59 0.00 -1.46 0.00 -1.26 -4.09 120.51 117.29 1j3c n ALA 52 Ca 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 53.44 50.59 1j3c n ALA 52 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.05 1j3c n ALA 52 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j3c n LYS 53 N 1.77 0.00 0.13 0.00 5.02 -1.26 -4.59 118.16 119.23 1j3c n LYS 53 Ca 0.52 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1j3c n LYS 53 Cb 0.60 -0.46 0.29 0.00 -0.02 0.00 0.00 35.03 35.44 1j3c n LYS 53 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1j3c h ASP 54 N 0.00 0.14 0.43 4.39 1.82 -1.95 -3.17 116.42 118.07 1j3c h ASP 54 Ca 0.00 -0.05 -0.31 0.00 -0.39 0.00 0.00 57.03 56.28 1j3c h ASP 54 Cb 0.62 -0.04 0.02 0.00 0.68 0.00 0.00 39.33 40.61 1j3c h ASP 54 CO 0.00 0.50 -1.40 0.11 -1.61 0.00 0.00 179.24 176.85 1j3c h LYS 55 N 0.12 0.41 -0.72 0.28 1.57 -1.87 -3.23 116.57 113.12 1j3c h LYS 55 Ca 0.01 -0.70 0.10 0.00 -1.87 0.00 0.00 60.65 58.19 1j3c h LYS 55 Cb 0.71 0.26 -0.12 0.00 0.08 0.00 0.00 32.23 33.16 1j3c h LYS 55 CO 0.05 1.33 -0.43 1.96 -0.57 0.00 0.00 179.45 181.79 1j3c h GLN 56 N 0.11 -0.14 0.01 3.15 4.20 -1.80 1.05 115.11 121.70 1j3c h GLN 56 Ca -0.21 0.01 -0.23 0.00 0.06 0.00 0.00 58.65 58.28 1j3c h GLN 56 Cb 2.08 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.90 1j3c h GLN 56 CO 0.24 -0.09 -0.97 -1.00 -0.67 0.00 0.00 178.83 176.34 1j3c h PRO 57 N -0.15 0.41 -0.00 1.46 0.13 -1.73 -3.26 132.00 128.87 1j3c h PRO 57 Ca 0.22 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1j3c h PRO 57 Cb 0.55 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1j3c h PRO 57 CO -0.78 1.12 -0.09 0.66 -0.23 0.00 0.00 178.00 178.68 1j3c n TYR 58 N -3.74 0.00 0.07 1.56 4.02 -0.74 -3.69 117.16 114.65 1j3c n TYR 58 Ca -0.07 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.86 1j3c n TYR 58 Cb 0.85 -0.40 -0.04 0.00 -0.02 0.00 0.00 39.34 39.73 1j3c n TYR 58 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1j3c h GLU 59 N 0.06 0.00 0.00 -0.72 -0.00 0.11 -3.34 114.58 110.68 1j3c h GLU 59 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.34 1j3c h GLU 59 Cb 0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.20 1j3c h GLU 59 CO 0.00 0.21 -0.07 -0.56 -0.00 0.00 0.00 179.01 178.58 1j3c h GLN 60 N 0.00 0.00 0.00 1.06 3.07 -1.66 -3.22 115.11 114.37 1j3c h GLN 60 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.64 1j3c h GLN 60 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.93 1j3c h GLN 60 CO 0.03 0.07 -0.00 -0.22 0.09 0.00 0.00 178.83 178.80 1j3c h LYS 61 N 0.00 -0.00 0.00 0.06 3.64 -1.72 -2.02 116.57 116.53 1j3c h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1j3c h LYS 61 Cb 1.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1j3c h LYS 61 CO 0.01 0.02 0.00 0.00 -2.27 0.00 0.00 179.45 177.21 1j3c n ALA 62 N -2.10 2.16 0.25 5.00 0.00 -1.25 -3.08 120.51 121.48 1j3c n ALA 62 Ca -0.07 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.40 1j3c n ALA 62 Cb 0.04 -1.42 0.63 0.00 0.00 0.00 0.00 19.45 18.70 1j3c n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j3c h ALA 63 N 2.80 1.29 0.01 0.00 0.00 -1.37 -3.05 119.26 118.95 1j3c h ALA 63 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1j3c h ALA 63 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1j3c h ALA 63 CO 0.00 0.21 -0.01 -0.22 0.00 0.00 0.00 179.25 179.24 1j3c h LYS 64 N 0.00 -0.01 -0.09 0.00 3.64 -1.56 -3.34 116.57 115.21 1j3c h LYS 64 Ca -0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1j3c h LYS 64 Cb 0.43 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1j3c h LYS 64 CO 0.02 -0.01 0.92 -0.07 -2.27 0.00 0.00 179.45 178.04 1j3c h LEU 65 N -0.52 0.00 -0.79 5.20 4.07 -1.69 0.63 115.31 122.21 1j3c h LEU 65 Ca -0.00 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.83 1j3c h LEU 65 Cb 0.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 1j3c h LEU 65 CO 0.00 0.00 -0.50 0.50 -1.08 0.00 0.00 178.44 177.36 1j3c h LYS 66 N 0.00 0.26 -0.00 1.13 3.64 -1.65 -0.51 116.57 119.43 1j3c h LYS 66 Ca 0.04 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1j3c h LYS 66 Cb 1.88 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.71 1j3c h LYS 66 CO -0.00 0.71 -0.16 0.39 -2.27 0.00 0.00 179.45 178.12 1j3c n GLU 67 N -3.95 0.66 -0.11 1.90 1.02 0.22 -2.58 120.64 117.79 1j3c n GLU 67 Ca -0.02 -0.27 -0.14 0.00 -0.02 0.00 0.00 57.16 56.71 1j3c n GLU 67 Cb 0.55 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.36 1j3c n GLU 67 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1j3c n LYS 68 N -0.93 0.69 0.03 3.49 3.00 -0.99 -4.00 118.16 119.45 1j3c n LYS 68 Ca 0.13 0.10 -0.08 0.00 -0.00 0.00 0.00 58.31 58.47 1j3c n LYS 68 Cb 0.30 -1.46 -0.05 0.00 0.00 0.00 0.00 35.03 33.82 1j3c n LYS 68 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1j3c h TYR 69 N 0.00 -0.18 -0.01 5.64 5.03 -1.22 -1.06 116.97 125.18 1j3c h TYR 69 Ca -0.50 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.80 1j3c h TYR 69 Cb 1.86 0.06 -0.00 0.00 1.55 0.00 0.00 36.73 40.20 1j3c h TYR 69 CO 0.02 0.16 0.14 0.93 -1.32 0.00 0.00 178.16 178.09 1j3c h GLU 70 N -0.98 0.00 0.00 1.82 5.08 -1.71 0.74 114.58 119.53 1j3c h GLU 70 Ca -0.02 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1j3c h GLU 70 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1j3c h GLU 70 CO 0.03 0.00 -2.04 1.63 -1.00 0.00 0.00 179.01 177.63 1j3c n LYS 71 N -3.04 0.66 -0.09 2.33 5.02 -1.22 -4.28 118.16 117.55 1j3c n LYS 71 Ca -0.02 -0.10 -0.09 0.00 -2.02 0.00 0.00 58.31 56.08 1j3c n LYS 71 Cb 0.20 -1.55 -0.13 0.00 -0.02 0.00 0.00 35.03 33.53 1j3c n LYS 71 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1j3c n ASP 72 N -2.48 1.03 0.05 4.39 2.03 -0.40 -4.46 116.55 116.70 1j3c n ASP 72 Ca -0.14 -0.02 -0.02 0.00 0.52 0.00 0.00 54.79 55.14 1j3c n ASP 72 Cb 0.78 0.75 0.25 0.00 -0.72 0.00 0.00 41.12 42.17 1j3c n ASP 72 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1j3c h ILE 73 N 0.00 1.26 -0.78 5.18 6.09 0.26 -0.72 117.51 128.79 1j3c h ILE 73 Ca -0.46 -1.21 0.08 0.00 -1.37 0.00 0.00 64.86 61.90 1j3c h ILE 73 Cb 2.00 1.38 -0.07 0.00 0.47 0.00 0.00 36.82 40.61 1j3c h ILE 73 CO 0.01 0.38 0.44 0.00 -3.07 0.00 0.00 178.15 175.91 1j3c h ALA 74 N 1.40 1.08 0.00 0.18 0.00 -1.74 -0.27 119.26 119.90 1j3c h ALA 74 Ca 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1j3c h ALA 74 Cb 0.63 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1j3c h ALA 74 CO 0.05 0.09 -1.01 0.00 0.00 0.00 0.00 179.25 178.38 1j3c h ALA 75 N 1.42 0.52 -0.00 0.00 0.00 -1.76 -3.34 119.26 116.10 1j3c h ALA 75 Ca 0.36 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 1j3c h ALA 75 Cb 0.29 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1j3c h ALA 75 CO -0.22 0.07 -0.79 -0.92 0.00 0.00 0.00 179.25 177.39 1j3c h TYR 76 N 0.00 0.09 0.00 0.00 3.20 -0.41 -3.40 116.97 116.45 1j3c h TYR 76 Ca -0.01 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1j3c h TYR 76 Cb 1.05 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1j3c h TYR 76 CO 0.00 0.82 0.00 0.54 -1.64 0.00 0.00 178.16 177.88 1j3c n ARG 77 N -3.65 0.00 0.00 1.82 1.74 -0.18 -5.06 116.66 111.33 1j3c n ARG 77 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1j3c n ARG 77 Cb 0.75 -0.36 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 1j3c n ARG 77 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1j3c n ALA 78 N -1.35 0.00 -0.33 7.54 0.00 -1.25 -5.12 120.51 119.99 1j3c n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j3c n ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1j3c n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13