#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 2.41 -0.08 2.12 3.01 -1.26 -5.05 119.74 120.90 1j3c s LYS 2 Ca 0.00 -1.68 0.03 0.00 -1.01 0.00 0.00 55.97 53.31 1j3c s LYS 2 Cb 0.00 -2.44 0.09 0.00 -1.01 0.00 0.00 37.83 34.48 1j3c s LYS 2 CO 0.00 -0.55 0.74 1.17 0.51 0.00 0.00 175.35 177.22 1j3c n LYS 3 N -1.88 0.31 0.00 1.68 4.81 -1.26 -5.15 118.16 116.66 1j3c n LYS 3 Ca 0.07 -0.55 0.00 0.00 -0.87 0.00 0.00 58.31 56.96 1j3c n LYS 3 Cb 0.62 0.37 0.00 0.00 0.02 0.00 0.00 35.03 36.04 1j3c n LYS 3 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1j3c n LYS 4 N -0.35 0.00 -4.42 1.64 5.02 -1.26 -4.92 118.16 113.87 1j3c n LYS 4 Ca -0.12 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.95 1j3c n LYS 4 Cb 0.57 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.50 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 -4.00 2.26 0.34 4.39 1.01 -1.26 -5.03 116.67 114.37 1j3c s ASP 5 Ca 0.00 -1.66 0.15 0.00 0.71 0.00 0.00 52.55 51.75 1j3c s ASP 5 Cb 0.00 0.48 0.59 0.00 1.01 0.00 0.00 42.92 44.99 1j3c s ASP 5 CO 0.00 -0.94 1.71 1.55 0.21 0.00 0.00 175.17 177.70 1j3c h PRO 6 N 1.97 0.00 0.00 8.23 0.13 -2.03 -2.94 132.00 137.35 1j3c h PRO 6 Ca -0.33 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.74 1j3c h PRO 6 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1j3c h PRO 6 CO 0.52 0.46 -0.31 -0.97 -0.23 0.00 0.00 178.00 177.47 1j3c h ASN 7 N 0.00 0.00 -3.06 1.44 -0.73 -2.01 -3.44 115.58 107.78 1j3c h ASN 7 Ca -0.00 0.00 -0.62 0.00 1.87 0.00 0.00 56.30 57.54 1j3c h ASN 7 Cb 0.92 0.00 -0.10 0.00 0.27 0.00 0.00 38.32 39.41 1j3c h ASN 7 CO 0.06 0.31 -0.45 0.00 -0.37 0.00 0.00 177.43 176.98 1j3c s ALA 8 N -3.14 3.74 -0.33 1.57 0.00 -1.11 -5.04 121.76 117.45 1j3c s ALA 8 Ca 0.04 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 1j3c s ALA 8 Cb 0.07 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 1j3c s ALA 8 CO 0.70 0.31 1.57 -1.25 0.00 0.00 0.00 175.76 177.09 1j3c s PRO 9 N -0.14 3.59 0.00 0.00 0.04 -1.26 -4.41 135.00 132.82 1j3c s PRO 9 Ca 0.12 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1j3c s PRO 9 Cb -0.12 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1j3c s PRO 9 CO 0.02 -1.55 0.00 0.36 0.04 0.00 0.00 177.00 175.87 1j3c n LYS 10 N 8.01 0.96 -1.80 4.56 2.85 -1.26 -4.90 118.16 126.59 1j3c n LYS 10 Ca 0.19 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 57.04 1j3c n LYS 10 Cb 0.47 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.85 1j3c n LYS 10 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1j3c s ARG 11 N -0.05 3.95 0.06 -1.58 3.00 -1.26 -4.93 118.95 118.14 1j3c s ARG 11 Ca 0.00 2.52 -0.31 0.00 0.00 0.00 0.00 55.73 57.95 1j3c s ARG 11 Cb 0.00 -2.85 -0.06 0.00 0.00 0.00 0.00 34.95 32.04 1j3c s ARG 11 CO 0.00 -0.64 1.22 -1.25 0.00 0.00 0.00 175.30 174.62 1j3c s PRO 12 N -2.23 4.42 0.93 3.54 0.04 -1.26 -5.03 135.00 135.41 1j3c s PRO 12 Ca 0.56 1.79 -0.15 0.00 0.04 0.00 0.00 61.00 63.24 1j3c s PRO 12 Cb -0.46 -3.34 0.21 0.00 0.04 0.00 0.00 34.50 30.95 1j3c s PRO 12 CO 0.61 -0.28 1.27 -0.35 0.04 0.00 0.00 177.00 178.29 1j3c n PRO 13 N 3.96 -1.16 -2.69 0.56 -0.04 -1.26 -5.03 135.00 129.34 1j3c n PRO 13 Ca 0.09 -2.08 -0.06 0.00 -0.04 0.00 0.00 63.50 61.41 1j3c n PRO 13 Cb 0.46 -1.27 0.09 0.00 -0.04 0.00 0.00 33.50 32.74 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 -3.75 -1.74 0.00 3.54 2.88 -1.26 -4.77 113.62 108.52 1j3c n SER 14 Ca 0.16 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 55.15 1j3c n SER 14 Cb 0.57 1.39 0.00 0.00 -0.75 0.00 0.00 64.21 65.42 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 0.72 0.00 -0.23 -1.46 0.00 -1.26 -4.19 120.51 114.09 1j3c n ALA 15 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1j3c n ALA 15 Cb 0.72 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.32 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 0.30 -0.40 0.00 3.57 -1.96 0.28 116.94 118.73 1j3c h PHE 16 Ca 0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1j3c h PHE 16 Cb 0.00 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1j3c h PHE 16 CO 0.00 -0.03 0.18 0.35 -2.23 0.00 0.00 178.31 176.58 1j3c h PHE 17 N 0.31 0.54 0.03 0.41 3.04 -1.95 -1.14 116.94 118.19 1j3c h PHE 17 Ca 0.38 -0.01 -0.27 0.00 3.98 0.00 0.00 57.97 62.04 1j3c h PHE 17 Cb 0.59 -0.17 0.02 0.00 2.56 0.00 0.00 35.95 38.95 1j3c h PHE 17 CO -0.23 0.41 -1.09 -0.07 -2.02 0.00 0.00 178.31 175.31 1j3c h LEU 18 N 0.56 0.90 0.08 0.59 3.38 -0.98 -2.34 115.31 117.50 1j3c h LEU 18 Ca 0.14 -0.76 -0.00 0.00 0.09 0.00 0.00 57.88 57.34 1j3c h LEU 18 Cb 0.08 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1j3c h LEU 18 CO -0.02 1.55 -0.04 0.15 0.09 0.00 0.00 178.44 180.17 1j3c h PHE 19 N 0.35 -0.10 0.00 1.13 3.04 -0.26 -2.93 116.94 118.16 1j3c h PHE 19 Ca -0.15 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.75 1j3c h PHE 19 Cb 1.75 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 40.28 1j3c h PHE 19 CO 0.11 0.22 -0.25 0.00 -2.02 0.00 0.00 178.31 176.37 1j3c h SER 21 N 0.00 0.00 0.00 0.00 0.02 -1.25 -3.19 113.55 109.12 1j3c h SER 21 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1j3c h SER 21 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1j3c h SER 21 CO 0.03 0.00 -0.72 -1.84 -1.14 0.00 0.00 176.83 173.17 1j3c n GLU 22 N -2.43 2.37 0.07 3.45 0.28 -0.87 -4.79 120.64 118.71 1j3c n GLU 22 Ca 0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.83 1j3c n GLU 22 Cb 0.25 -0.86 -0.10 0.00 1.43 0.00 0.00 31.44 32.16 1j3c n GLU 22 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 1j3c h TYR 23 N 0.00 0.88 -0.46 -1.84 -1.99 -0.68 -3.33 116.97 109.56 1j3c h TYR 23 Ca 0.00 -0.52 0.09 0.00 2.00 0.00 0.00 58.73 60.30 1j3c h TYR 23 Cb 0.41 -0.08 -0.10 0.00 2.00 0.00 0.00 36.73 38.96 1j3c h TYR 23 CO 0.00 1.36 -0.28 0.00 -0.00 0.00 0.00 178.16 179.24 1j3c h ARG 24 N 0.28 -0.18 -0.03 4.88 3.08 -1.74 0.18 114.38 120.85 1j3c h ARG 24 Ca -0.14 0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1j3c h ARG 24 Cb 1.77 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.86 1j3c h ARG 24 CO 0.21 -0.12 0.03 -1.00 -1.07 0.00 0.00 179.97 178.02 1j3c h PRO 25 N -0.18 0.00 -0.11 0.04 0.13 -1.85 -0.71 132.00 129.31 1j3c h PRO 25 Ca 0.20 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.28 1j3c h PRO 25 Cb 0.51 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 1j3c h PRO 25 CO -0.57 0.00 -0.15 -0.22 -0.23 0.00 0.00 178.00 176.84 1j3c h LYS 26 N 0.00 0.30 -0.04 0.86 3.11 -0.83 -2.81 116.57 117.16 1j3c h LYS 26 Ca 0.01 -0.17 0.01 0.00 -2.81 0.00 0.00 60.65 57.69 1j3c h LYS 26 Cb 0.07 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.31 1j3c h LYS 26 CO -0.00 0.73 0.12 0.82 -2.81 0.00 0.00 179.45 178.32 1j3c h ILE 27 N -0.12 0.15 0.00 2.00 1.08 0.42 -1.26 117.51 119.78 1j3c h ILE 27 Ca 0.01 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.33 1j3c h ILE 27 Cb 0.70 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 1j3c h ILE 27 CO 0.03 0.00 -0.78 0.11 -0.69 0.00 0.00 178.15 176.82 1j3c h LYS 28 N 0.00 0.00 -0.01 2.37 1.79 -1.15 -1.45 116.57 118.12 1j3c h LYS 28 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1j3c h LYS 28 Cb 0.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1j3c h LYS 28 CO -0.00 0.66 -0.10 0.45 -1.08 0.00 0.00 179.45 179.38 1j3c n SER 29 N -3.24 0.74 0.00 0.86 2.88 -0.48 -4.06 113.62 110.31 1j3c n SER 29 Ca -0.00 -0.88 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 1j3c n SER 29 Cb 0.82 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.27 1j3c n SER 29 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1j3c n GLU 30 N -0.66 0.23 -3.84 -1.46 1.02 -1.18 -4.98 120.64 109.77 1j3c n GLU 30 Ca 0.16 -0.15 -0.30 0.00 -0.02 0.00 0.00 57.16 56.85 1j3c n GLU 30 Cb 0.29 -0.59 -0.14 0.00 -0.02 0.00 0.00 31.44 30.98 1j3c n GLU 30 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1j3c s HIS 31 N -0.08 2.55 0.00 -0.32 3.76 -0.55 -5.02 115.29 115.64 1j3c s HIS 31 Ca 0.00 -2.49 0.00 0.00 -0.15 0.00 0.00 55.06 52.42 1j3c s HIS 31 Cb 0.00 -2.25 0.00 0.00 1.11 0.00 0.00 32.58 31.44 1j3c s HIS 31 CO 0.00 -0.85 0.06 -0.35 -0.85 0.00 0.00 174.74 172.75 1j3c n PRO 32 N 4.06 0.00 -0.10 8.40 -0.04 -1.26 -4.08 135.00 141.98 1j3c n PRO 32 Ca 0.04 0.23 0.26 0.00 -0.04 0.00 0.00 63.50 63.99 1j3c n PRO 32 Cb 0.38 -0.77 0.72 0.00 -0.04 0.00 0.00 33.50 33.79 1j3c n PRO 32 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1j3c h GLY 33 N 0.00 0.00 -7.17 0.55 0.00 -2.00 -3.40 103.07 91.05 1j3c h GLY 33 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 1j3c h GLY 33 CO 0.00 0.00 1.58 -0.10 0.00 0.00 0.00 176.54 178.02 1j3c n LEU 34 N -4.09 0.42 -4.48 3.11 0.00 -1.26 -4.89 117.00 105.81 1j3c n LEU 34 Ca 0.15 -0.37 -0.30 0.00 0.00 0.00 0.00 56.01 55.49 1j3c n LEU 34 Cb 0.87 -1.05 0.26 0.00 0.00 0.00 0.00 43.42 43.51 1j3c n LEU 34 CO 0.35 -1.34 0.54 -0.44 0.00 0.00 0.00 177.39 176.50 1j3c s SER 35 N 7.52 0.10 0.06 1.96 0.01 -1.26 -4.71 113.70 117.37 1j3c s SER 35 Ca 1.22 0.71 -0.32 0.00 1.31 0.00 0.00 55.95 58.86 1j3c s SER 35 Cb -0.79 -0.98 -0.17 0.00 0.21 0.00 0.00 66.02 64.29 1j3c s SER 35 CO 0.41 -4.63 1.49 0.40 0.41 0.00 0.00 173.24 171.31 1j3c h ILE 36 N -2.93 0.00 -1.05 1.44 1.08 -1.97 -1.89 117.51 112.19 1j3c h ILE 36 Ca -0.44 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 64.32 1j3c h ILE 36 Cb 1.31 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.94 1j3c h ILE 36 CO 0.31 0.00 0.64 1.23 -0.69 0.00 0.00 178.15 179.65 1j3c h GLY 37 N -1.10 1.65 1.70 5.37 0.00 -2.00 0.78 103.07 109.47 1j3c h GLY 37 Ca -0.10 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 1j3c h GLY 37 CO 0.13 -0.29 -0.37 -0.55 0.00 0.00 0.00 176.54 175.46 1j3c h ASP 38 N 0.39 0.36 -0.42 0.19 5.19 -1.83 -2.65 116.42 117.65 1j3c h ASP 38 Ca 0.67 -0.14 -0.11 0.00 -0.62 0.00 0.00 57.03 56.83 1j3c h ASP 38 Cb 1.60 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.99 1j3c h ASP 38 CO -0.44 0.70 -0.16 0.74 -3.12 0.00 0.00 179.24 176.96 1j3c h THR 39 N 0.29 1.27 -0.36 0.35 2.02 0.14 0.43 112.91 117.05 1j3c h THR 39 Ca 0.03 -1.28 -0.14 0.00 0.77 0.00 0.00 66.41 65.78 1j3c h THR 39 Cb 0.79 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1j3c h THR 39 CO 0.06 0.44 -0.35 0.00 0.37 0.00 0.00 175.52 176.05 1j3c h ALA 40 N 1.02 0.72 0.00 6.16 0.00 -1.23 -2.88 119.26 123.04 1j3c h ALA 40 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1j3c h ALA 40 Cb 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1j3c h ALA 40 CO 0.05 0.66 -0.67 0.36 0.00 0.00 0.00 179.25 179.65 1j3c n LYS 41 N -4.06 0.23 0.00 0.00 2.85 -1.01 -3.79 118.16 112.37 1j3c n LYS 41 Ca -0.01 0.05 0.13 0.00 -1.05 0.00 0.00 58.31 57.42 1j3c n LYS 41 Cb 0.51 -1.63 0.36 0.00 -0.65 0.00 0.00 35.03 33.62 1j3c n LYS 41 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1j3c n LYS 42 N -1.95 0.10 -0.06 -1.58 3.00 0.15 -3.42 118.16 114.39 1j3c n LYS 42 Ca 0.03 -0.05 -0.12 0.00 -0.00 0.00 0.00 58.31 58.17 1j3c n LYS 42 Cb 0.42 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.80 1j3c n LYS 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1j3c n LEU 43 N -1.41 1.11 0.01 3.14 4.77 -1.10 -4.11 117.00 119.41 1j3c n LEU 43 Ca 0.07 0.16 -0.07 0.00 -0.03 0.00 0.00 56.01 56.14 1j3c n LEU 43 Cb 0.33 -0.05 0.11 0.00 -2.33 0.00 0.00 43.42 41.49 1j3c n LEU 43 CO 0.32 0.57 0.57 1.23 -1.33 0.00 0.00 177.39 178.75 1j3c h GLY 44 N 3.13 0.56 0.77 -0.72 0.00 -1.67 -2.26 103.07 102.88 1j3c h GLY 44 Ca -0.44 -0.58 0.07 0.00 0.00 0.00 0.00 47.33 46.38 1j3c h GLY 44 CO 0.04 0.52 0.62 0.83 0.00 0.00 0.00 176.54 178.55 1j3c h GLU 45 N 0.42 1.05 0.01 4.80 5.08 -1.72 -0.51 114.58 123.71 1j3c h GLU 45 Ca 0.03 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1j3c h GLU 45 Cb 0.94 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1j3c h GLU 45 CO 0.08 0.70 -0.16 0.52 -1.00 0.00 0.00 179.01 179.15 1j3c h MET 46 N 1.09 0.08 -0.09 2.33 2.86 -1.67 -2.47 114.93 117.05 1j3c h MET 46 Ca 0.42 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.97 1j3c h MET 46 Cb 0.21 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1j3c h MET 46 CO -0.17 0.95 0.11 2.35 1.06 0.00 0.00 176.91 181.21 1j3c h TRP 47 N -0.73 0.00 0.13 -0.22 2.91 -1.19 -1.78 115.95 115.06 1j3c h TRP 47 Ca -0.02 0.00 -0.33 0.00 1.13 0.00 0.00 58.89 59.67 1j3c h TRP 47 Cb 1.02 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.66 1j3c h TRP 47 CO 0.22 0.00 -1.68 0.66 -1.03 0.00 0.00 178.44 176.61 1j3c h SER 48 N 0.00 0.44 0.01 2.65 4.64 -1.13 -3.32 113.55 116.83 1j3c h SER 48 Ca 0.04 -0.69 -0.04 0.00 -0.47 0.00 0.00 61.79 60.63 1j3c h SER 48 Cb 0.25 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1j3c h SER 48 CO -0.00 1.58 -0.11 -0.33 -0.87 0.00 0.00 176.83 177.10 1j3c h GLU 49 N 0.08 0.23 -7.08 4.77 4.39 -0.85 -3.43 114.58 112.68 1j3c h GLU 49 Ca -0.30 -0.05 -0.54 0.00 0.34 0.00 0.00 59.36 58.80 1j3c h GLU 49 Cb 2.05 -0.03 0.13 0.00 -0.10 0.00 0.00 28.75 30.80 1j3c h GLU 49 CO 0.15 0.35 0.53 -0.65 -1.16 0.00 0.00 179.01 178.23 1j3c s GLN 50 N -4.77 2.91 0.00 2.33 -1.52 -0.83 -5.03 119.66 112.75 1j3c s GLN 50 Ca -0.05 2.03 0.00 0.00 -1.95 0.00 0.00 55.36 55.39 1j3c s GLN 50 Cb 0.16 -2.02 0.00 0.00 -0.22 0.00 0.00 33.01 30.92 1j3c s GLN 50 CO 0.73 -1.31 0.00 0.43 -0.25 0.00 0.00 175.29 174.89 1j3c n SER 51 N -1.48 0.04 -2.90 5.90 7.64 -1.26 -4.94 113.62 116.63 1j3c n SER 51 Ca 0.13 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.71 1j3c n SER 51 Cb 0.48 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.61 1j3c n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j3c n ALA 52 N -3.00 7.03 0.00 -0.43 0.00 -1.26 -4.00 120.51 118.86 1j3c n ALA 52 Ca 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 53.44 50.34 1j3c n ALA 52 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 16.57 1j3c n ALA 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1j3c n LYS 53 N 2.75 0.00 -0.03 0.00 3.00 -1.26 -4.67 118.16 117.95 1j3c n LYS 53 Ca 0.64 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.90 1j3c n LYS 53 Cb 0.45 -0.23 0.17 0.00 0.00 0.00 0.00 35.03 35.43 1j3c n LYS 53 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1j3c h ASP 54 N 0.00 0.60 -0.08 3.14 3.58 -1.96 -3.03 116.42 118.67 1j3c h ASP 54 Ca 0.00 -0.19 -0.18 0.00 0.42 0.00 0.00 57.03 57.08 1j3c h ASP 54 Cb 0.39 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 1j3c h ASP 54 CO 0.00 0.80 -0.58 0.50 -2.88 0.00 0.00 179.24 177.07 1j3c h LYS 55 N 0.54 0.68 -0.69 0.28 3.64 -1.88 -3.03 116.57 116.11 1j3c h LYS 55 Ca 0.09 -0.45 0.09 0.00 -1.27 0.00 0.00 60.65 59.11 1j3c h LYS 55 Cb 0.62 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 32.39 1j3c h LYS 55 CO 0.04 1.07 -0.47 1.96 -2.27 0.00 0.00 179.45 179.78 1j3c h GLN 56 N 0.52 -0.17 0.05 1.90 1.08 -1.80 1.26 115.11 117.95 1j3c h GLN 56 Ca 0.00 0.01 -0.25 0.00 -1.45 0.00 0.00 58.65 56.96 1j3c h GLN 56 Cb 1.16 0.04 0.01 0.00 -0.05 0.00 0.00 27.48 28.63 1j3c h GLN 56 CO 0.12 -0.11 -1.06 -1.00 -0.95 0.00 0.00 178.83 175.82 1j3c h PRO 57 N -0.17 0.41 0.00 1.46 0.13 -1.69 -3.31 132.00 128.83 1j3c h PRO 57 Ca 0.19 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1j3c h PRO 57 Cb 0.54 0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1j3c h PRO 57 CO -0.77 1.18 -0.21 0.66 -0.23 0.00 0.00 178.00 178.63 1j3c n TYR 58 N -3.70 0.37 0.08 1.56 4.01 -0.86 -3.81 117.16 114.80 1j3c n TYR 58 Ca -0.08 0.11 -0.03 0.00 -0.16 0.00 0.00 57.90 57.74 1j3c n TYR 58 Cb 0.90 -0.61 -0.06 0.00 -0.31 0.00 0.00 39.34 39.26 1j3c n TYR 58 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1j3c h GLU 59 N 0.00 0.00 0.00 -0.72 -0.00 0.15 -3.28 114.58 110.73 1j3c h GLU 59 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1j3c h GLU 59 Cb 0.61 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.36 1j3c h GLU 59 CO 0.00 0.65 -0.00 -0.56 -0.00 0.00 0.00 179.01 179.09 1j3c h GLN 60 N 0.00 0.00 -0.51 1.06 3.07 -1.69 -2.99 115.11 114.05 1j3c h GLN 60 Ca -0.06 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.61 1j3c h GLN 60 Cb 1.62 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.17 1j3c h GLN 60 CO 0.09 0.00 0.03 -0.22 0.09 0.00 0.00 178.83 178.82 1j3c h LYS 61 N 0.00 0.87 0.00 0.06 3.64 -1.73 -2.67 116.57 116.74 1j3c h LYS 61 Ca -0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1j3c h LYS 61 Cb 0.70 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1j3c h LYS 61 CO 0.00 0.89 -0.11 0.00 -2.27 0.00 0.00 179.45 177.96 1j3c h ALA 62 N 0.95 0.93 -0.68 5.00 0.00 -1.72 -3.29 119.26 120.46 1j3c h ALA 62 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1j3c h ALA 62 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1j3c h ALA 62 CO 0.02 0.00 0.44 0.00 0.00 0.00 0.00 179.25 179.71 1j3c h ALA 63 N 2.32 1.49 0.36 0.00 0.00 -1.32 -2.49 119.26 119.61 1j3c h ALA 63 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1j3c h ALA 63 Cb 0.84 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1j3c h ALA 63 CO 0.00 0.46 -0.17 0.87 0.00 0.00 0.00 179.25 180.41 1j3c h LYS 64 N 0.93 -0.46 -0.54 0.00 1.79 -1.62 -3.20 116.57 113.46 1j3c h LYS 64 Ca 0.25 0.03 0.16 0.00 -2.18 0.00 0.00 60.65 58.91 1j3c h LYS 64 Cb -0.08 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 1j3c h LYS 64 CO -0.05 -0.31 0.78 -0.07 -1.08 0.00 0.00 179.45 178.72 1j3c h LEU 65 N -0.90 0.00 -0.09 2.94 4.07 -1.70 0.88 115.31 120.52 1j3c h LEU 65 Ca -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1j3c h LEU 65 Cb 0.37 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 1j3c h LEU 65 CO 0.08 0.00 -0.04 0.50 -1.08 0.00 0.00 178.44 177.90 1j3c h LYS 66 N 0.00 0.19 0.42 1.13 1.63 -1.44 -0.87 116.57 117.63 1j3c h LYS 66 Ca 0.26 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.96 1j3c h LYS 66 Cb 1.81 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.43 1j3c h LYS 66 CO -0.00 0.54 -0.20 0.93 -3.45 0.00 0.00 179.45 177.27 1j3c h GLU 67 N -0.17 -0.54 -0.23 1.90 5.08 -0.89 -1.19 114.58 118.54 1j3c h GLU 67 Ca 0.02 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1j3c h GLU 67 Cb 0.48 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1j3c h GLU 67 CO 0.01 -0.25 0.22 0.87 -1.00 0.00 0.00 179.01 178.86 1j3c h LYS 68 N -0.81 0.00 0.04 2.33 1.57 -1.55 -0.75 116.57 117.40 1j3c h LYS 68 Ca -0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1j3c h LYS 68 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1j3c h LYS 68 CO 0.09 0.00 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.03 1j3c h TYR 69 N 0.00 -0.05 -0.37 -1.35 5.03 -0.87 0.07 116.97 119.42 1j3c h TYR 69 Ca 0.11 -0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.53 1j3c h TYR 69 Cb 0.54 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.82 1j3c h TYR 69 CO 0.00 -0.03 0.51 0.93 -1.32 0.00 0.00 178.16 178.25 1j3c h GLU 70 N -0.22 0.00 0.00 1.82 5.08 -1.09 0.10 114.58 120.27 1j3c h GLU 70 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1j3c h GLU 70 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1j3c h GLU 70 CO 0.01 0.00 -0.47 1.63 -1.00 0.00 0.00 179.01 179.18 1j3c n LYS 71 N -3.46 0.35 0.11 2.33 5.02 -0.30 -4.14 118.16 118.08 1j3c n LYS 71 Ca 0.07 0.38 0.11 0.00 -2.02 0.00 0.00 58.31 56.85 1j3c n LYS 71 Cb 0.67 -1.39 0.61 0.00 -0.02 0.00 0.00 35.03 34.90 1j3c n LYS 71 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1j3c h ASP 72 N -0.75 0.11 -0.45 4.39 1.82 -0.84 -1.73 116.42 118.98 1j3c h ASP 72 Ca 0.00 -0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 1j3c h ASP 72 Cb 0.47 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 1j3c h ASP 72 CO 0.00 0.07 0.18 -0.29 -1.61 0.00 0.00 179.24 177.60 1j3c h ILE 73 N 0.13 1.19 0.25 2.25 6.09 -0.93 0.10 117.51 126.60 1j3c h ILE 73 Ca 0.12 -0.61 -0.01 0.00 -1.37 0.00 0.00 64.86 62.99 1j3c h ILE 73 Cb 0.33 0.61 0.00 0.00 0.47 0.00 0.00 36.82 38.24 1j3c h ILE 73 CO -0.02 0.24 -0.12 0.00 -3.07 0.00 0.00 178.15 175.18 1j3c h ALA 74 N 1.49 -0.34 0.00 0.18 0.00 -1.47 -1.84 119.26 117.29 1j3c h ALA 74 Ca 0.17 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1j3c h ALA 74 Cb 0.17 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1j3c h ALA 74 CO -0.01 -0.69 -0.38 0.00 0.00 0.00 0.00 179.25 178.16 1j3c h ALA 75 N 0.41 0.96 -0.09 0.00 0.00 -1.52 -2.21 119.26 116.81 1j3c h ALA 75 Ca -0.03 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1j3c h ALA 75 Cb 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1j3c h ALA 75 CO 0.06 0.48 -0.27 -0.92 0.00 0.00 0.00 179.25 178.60 1j3c h TYR 76 N 0.00 0.18 0.00 0.00 3.20 -0.38 -3.37 116.97 116.60 1j3c h TYR 76 Ca -0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1j3c h TYR 76 Cb 0.94 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1j3c h TYR 76 CO 0.00 0.42 0.00 0.54 -1.64 0.00 0.00 178.16 177.48 1j3c n ARG 77 N -4.17 0.00 -2.41 1.82 1.74 -0.73 -4.98 116.66 107.94 1j3c n ARG 77 Ca -0.01 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.04 1j3c n ARG 77 Cb 0.36 -0.36 0.06 0.00 -1.02 0.00 0.00 32.46 31.50 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 -0.90 0.11 -0.47 7.54 0.00 -1.17 -5.12 120.51 120.49 1j3c n ALA 78 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1j3c n ALA 78 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1j3c n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13