#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3c n LYS 2 N 0.00 3.10 -3.46 2.12 4.01 -1.26 -4.97 118.16 117.70 1j3c n LYS 2 Ca 0.00 -3.92 0.01 0.00 -0.51 0.00 0.00 58.31 53.89 1j3c n LYS 2 Cb 0.00 -2.13 -0.04 0.00 -0.51 0.00 0.00 35.03 32.35 1j3c n LYS 2 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1j3c s LYS 3 N -3.52 0.32 0.00 1.97 2.20 -1.26 -5.01 119.74 114.44 1j3c s LYS 3 Ca 0.49 0.74 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 1j3c s LYS 3 Cb 0.41 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 37.11 1j3c s LYS 3 CO 0.01 -0.10 0.31 1.63 -0.36 0.00 0.00 175.35 176.84 1j3c n LYS 4 N 4.75 0.00 -4.16 4.03 5.02 -1.26 -4.97 118.16 121.57 1j3c n LYS 4 Ca -0.11 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.08 1j3c n LYS 4 Cb 0.53 -0.80 -0.10 0.00 -0.02 0.00 0.00 35.03 34.65 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 -1.94 0.59 0.00 4.39 1.01 -1.26 -4.99 116.67 114.47 1j3c s ASP 5 Ca 0.00 -1.15 0.19 0.00 0.71 0.00 0.00 52.55 52.30 1j3c s ASP 5 Cb 0.00 0.23 0.83 0.00 1.01 0.00 0.00 42.92 44.99 1j3c s ASP 5 CO 0.00 -0.65 1.61 -0.81 0.21 0.00 0.00 175.17 175.52 1j3c n PRO 6 N -0.09 0.03 -0.03 8.23 -0.04 -1.26 -3.01 135.00 138.83 1j3c n PRO 6 Ca -0.08 0.17 -0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1j3c n PRO 6 Cb 0.63 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.49 1j3c n PRO 6 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1j3c n ASN 7 N -1.47 2.13 -4.85 3.54 3.02 -1.26 -4.97 115.26 111.39 1j3c n ASN 7 Ca 0.05 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.23 1j3c n ASN 7 Cb 0.21 1.16 -0.06 0.00 -0.61 0.00 0.00 39.78 40.48 1j3c n ASN 7 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j3c s ALA 8 N -2.56 3.75 -0.07 5.41 0.00 -1.17 -5.05 121.76 122.09 1j3c s ALA 8 Ca -0.05 -0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 1j3c s ALA 8 Cb 0.06 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 1j3c s ALA 8 CO 0.50 0.53 1.23 -1.25 0.00 0.00 0.00 175.76 176.77 1j3c s PRO 9 N -1.20 4.33 0.00 0.00 0.04 -1.26 -4.25 135.00 132.65 1j3c s PRO 9 Ca 0.23 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1j3c s PRO 9 Cb -0.15 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1j3c s PRO 9 CO 0.12 -0.50 0.00 0.36 0.04 0.00 0.00 177.00 177.02 1j3c n LYS 10 N 5.42 1.79 -1.76 4.56 2.85 -1.26 -4.90 118.16 124.86 1j3c n LYS 10 Ca 0.12 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.97 1j3c n LYS 10 Cb 0.46 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 0.54 -0.05 0.00 0.00 177.40 177.89 1j3c n ARG 11 N 0.00 2.36 -2.43 -1.58 3.00 -1.26 -4.93 116.66 111.81 1j3c n ARG 11 Ca 0.00 0.83 -0.41 0.00 -0.01 0.00 0.00 57.85 58.26 1j3c n ARG 11 Cb 0.00 -2.60 -0.03 0.00 0.00 0.00 0.00 32.46 29.82 1j3c n ARG 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1j3c s PRO 12 N -2.28 4.50 0.86 5.56 0.04 -1.26 -5.03 135.00 137.39 1j3c s PRO 12 Ca 0.58 1.79 -0.13 0.00 0.04 0.00 0.00 61.00 63.28 1j3c s PRO 12 Cb -0.47 -3.29 0.13 0.00 0.04 0.00 0.00 34.50 30.91 1j3c s PRO 12 CO 0.60 -0.10 1.22 -1.25 0.04 0.00 0.00 177.00 177.51 1j3c s PRO 13 N 0.21 1.41 -0.38 0.56 0.04 -1.26 -5.04 135.00 130.54 1j3c s PRO 13 Ca 0.54 -0.19 0.04 0.00 0.04 0.00 0.00 61.00 61.43 1j3c s PRO 13 Cb -0.30 -1.94 0.31 0.00 0.04 0.00 0.00 34.50 32.60 1j3c s PRO 13 CO 0.33 -1.91 1.24 0.45 0.04 0.00 0.00 177.00 177.16 1j3c n SER 14 N -3.46 -1.72 0.00 6.66 2.88 -1.26 -4.69 113.62 112.04 1j3c n SER 14 Ca 0.11 -2.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.16 1j3c n SER 14 Cb 0.60 1.36 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 0.76 0.00 -0.20 -1.46 0.00 -1.26 -4.24 120.51 114.11 1j3c n ALA 15 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1j3c n ALA 15 Cb 0.72 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.36 -0.64 0.00 3.57 -1.96 0.26 116.94 117.81 1j3c h PHE 16 Ca 0.00 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1j3c h PHE 16 Cb 0.00 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 1j3c h PHE 16 CO 0.00 -0.27 0.42 0.35 -2.23 0.00 0.00 178.31 176.58 1j3c h PHE 17 N -0.01 0.72 -0.05 0.41 3.57 -1.95 0.07 116.94 119.70 1j3c h PHE 17 Ca 0.29 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.61 1j3c h PHE 17 Cb 0.45 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1j3c h PHE 17 CO -0.51 0.42 -0.80 -0.07 -2.23 0.00 0.00 178.31 175.11 1j3c h LEU 18 N 0.74 0.47 0.12 0.59 3.38 -0.95 -2.41 115.31 117.25 1j3c h LEU 18 Ca 0.26 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1j3c h LEU 18 Cb 0.10 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1j3c h LEU 18 CO -0.07 1.10 -0.06 0.15 0.09 0.00 0.00 178.44 179.65 1j3c h PHE 19 N 0.25 -0.15 -0.14 1.13 3.04 -0.02 -2.88 116.94 118.15 1j3c h PHE 19 Ca -0.05 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.91 1j3c h PHE 19 Cb 1.40 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.95 1j3c h PHE 19 CO 0.05 0.32 0.08 0.00 -2.02 0.00 0.00 178.31 176.73 1j3c h SER 21 N 0.16 0.00 0.08 0.00 0.87 -1.55 0.23 113.55 113.34 1j3c h SER 21 Ca 0.06 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 1j3c h SER 21 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1j3c h SER 21 CO -0.03 0.00 -2.00 -0.62 -0.53 0.00 0.00 176.83 173.65 1j3c n GLU 22 N -3.92 0.66 -0.03 2.24 -0.58 -0.71 -4.49 120.64 113.81 1j3c n GLU 22 Ca -0.01 -0.13 -0.16 0.00 -0.42 0.00 0.00 57.16 56.43 1j3c n GLU 22 Cb 0.19 -1.55 -0.14 0.00 -0.57 0.00 0.00 31.44 29.37 1j3c n GLU 22 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1j3c n TYR 23 N -2.39 0.88 -0.15 -0.32 4.02 0.22 -4.24 117.16 115.17 1j3c n TYR 23 Ca -0.09 0.23 -0.06 0.00 -0.01 0.00 0.00 57.90 57.97 1j3c n TYR 23 Cb 0.69 -1.13 0.00 0.00 -0.02 0.00 0.00 39.34 38.88 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 0.04 -0.18 0.00 -0.72 3.08 -0.76 0.28 114.38 116.11 1j3c h ARG 24 Ca -0.42 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.63 1j3c h ARG 24 Cb 2.03 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 32.12 1j3c h ARG 24 CO 0.05 -0.12 -0.02 -1.00 -1.07 0.00 0.00 179.97 177.81 1j3c h PRO 25 N -0.19 0.00 -0.11 0.04 0.13 -1.80 -1.20 132.00 128.87 1j3c h PRO 25 Ca 0.21 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.29 1j3c h PRO 25 Cb 0.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1j3c h PRO 25 CO -0.59 0.02 -0.12 -0.22 -0.23 0.00 0.00 178.00 176.86 1j3c h LYS 26 N 0.00 0.27 -0.11 0.86 3.11 -0.72 -2.75 116.57 117.24 1j3c h LYS 26 Ca -0.00 -0.15 0.03 0.00 -2.81 0.00 0.00 60.65 57.72 1j3c h LYS 26 Cb 0.05 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.28 1j3c h LYS 26 CO 0.00 0.69 0.23 0.82 -2.81 0.00 0.00 179.45 178.38 1j3c h ILE 27 N -0.14 0.22 0.00 2.00 1.08 0.18 -1.68 117.51 119.17 1j3c h ILE 27 Ca 0.02 0.00 -0.22 0.00 -0.39 0.00 0.00 64.86 64.26 1j3c h ILE 27 Cb 0.65 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 35.16 1j3c h ILE 27 CO 0.03 0.00 -1.16 0.11 -0.69 0.00 0.00 178.15 176.44 1j3c h LYS 28 N 0.00 0.00 -0.09 2.37 1.79 -1.16 -2.04 116.57 117.44 1j3c h LYS 28 Ca 0.05 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.35 1j3c h LYS 28 Cb 0.50 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1j3c h LYS 28 CO -0.00 0.83 -0.68 1.03 -1.08 0.00 0.00 179.45 179.55 1j3c h SER 29 N 0.00 0.46 0.04 0.86 0.87 -1.26 -3.19 113.55 111.33 1j3c h SER 29 Ca -0.08 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1j3c h SER 29 Cb 1.81 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 1j3c h SER 29 CO 0.11 1.01 -0.39 -0.62 -0.53 0.00 0.00 176.83 176.41 1j3c n GLU 30 N -3.86 1.21 -3.51 2.24 4.71 -1.19 -4.73 120.64 115.51 1j3c n GLU 30 Ca -0.04 -0.95 -0.29 0.00 -0.01 0.00 0.00 57.16 55.87 1j3c n GLU 30 Cb 0.68 -1.48 -0.14 0.00 -1.01 0.00 0.00 31.44 29.49 1j3c n GLU 30 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1j3c s HIS 31 N -2.44 0.45 -0.04 -0.32 3.76 -0.77 -5.00 115.29 110.92 1j3c s HIS 31 Ca 0.21 -1.13 -0.24 0.00 -0.15 0.00 0.00 55.06 53.75 1j3c s HIS 31 Cb 0.19 -0.90 -0.23 0.00 1.11 0.00 0.00 32.58 32.75 1j3c s HIS 31 CO 0.54 -0.83 1.07 -1.00 -0.85 0.00 0.00 174.74 173.67 1j3c h PRO 32 N 7.92 0.20 0.00 8.40 0.13 -1.84 -3.13 132.00 143.68 1j3c h PRO 32 Ca -0.11 -0.19 -0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1j3c h PRO 32 Cb 1.00 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1j3c h PRO 32 CO 0.38 0.90 -0.01 0.78 -0.23 0.00 0.00 178.00 179.81 1j3c h GLY 33 N -0.43 0.00 -7.16 1.56 0.00 -1.94 -3.42 103.07 91.68 1j3c h GLY 33 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.03 1j3c h GLY 33 CO 0.05 0.00 1.33 -0.10 0.00 0.00 0.00 176.54 177.82 1j3c n LEU 34 N -3.16 0.12 0.00 3.11 -0.00 -1.18 -4.90 117.00 111.00 1j3c n LEU 34 Ca -0.02 -0.75 -0.29 0.00 -0.00 0.00 0.00 56.01 54.96 1j3c n LEU 34 Cb 0.16 -1.03 0.25 0.00 -0.00 0.00 0.00 43.42 42.80 1j3c n LEU 34 CO 0.23 -1.73 0.50 -1.20 -0.00 0.00 0.00 177.39 175.19 1j3c n SER 35 N 11.25 -2.65 0.34 1.96 7.64 -1.26 -4.72 113.62 126.19 1j3c n SER 35 Ca 0.58 -1.04 -0.17 0.00 1.01 0.00 0.00 58.87 59.25 1j3c n SER 35 Cb 0.25 -0.95 -0.09 0.00 -1.01 0.00 0.00 64.21 62.42 1j3c n SER 35 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1j3c h ILE 36 N -2.94 0.37 -0.83 0.44 1.08 -1.99 -2.29 117.51 111.35 1j3c h ILE 36 Ca -0.38 -0.06 0.18 0.00 -0.39 0.00 0.00 64.86 64.20 1j3c h ILE 36 Cb 1.21 0.40 -0.11 0.00 -3.07 0.00 0.00 36.82 35.25 1j3c h ILE 36 CO 0.25 0.01 0.35 1.23 -0.69 0.00 0.00 178.15 179.30 1j3c h GLY 37 N -0.88 1.35 1.40 5.37 0.00 -2.00 0.27 103.07 108.58 1j3c h GLY 37 Ca -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1j3c h GLY 37 CO 0.14 -0.17 0.28 -0.55 0.00 0.00 0.00 176.54 176.25 1j3c h ASP 38 N 0.45 0.70 -0.69 0.19 3.32 -1.85 -1.78 116.42 116.76 1j3c h ASP 38 Ca 0.49 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.48 1j3c h ASP 38 Cb 0.82 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 1j3c h ASP 38 CO -0.46 0.59 0.45 0.74 -1.72 0.00 0.00 179.24 178.84 1j3c h THR 39 N 0.79 1.18 0.05 0.35 2.02 0.12 0.48 112.91 117.90 1j3c h THR 39 Ca 0.20 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1j3c h THR 39 Cb 0.06 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1j3c h THR 39 CO -0.03 0.18 -0.02 0.00 0.37 0.00 0.00 175.52 176.01 1j3c h ALA 40 N 1.56 -0.07 0.00 6.16 0.00 -1.09 -3.16 119.26 122.66 1j3c h ALA 40 Ca 0.25 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1j3c h ALA 40 Cb -0.10 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1j3c h ALA 40 CO -0.05 -0.10 -0.31 1.57 0.00 0.00 0.00 179.25 180.36 1j3c h LYS 41 N -0.94 0.00 -0.00 0.00 2.10 -1.29 -2.36 116.57 114.07 1j3c h LYS 41 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1j3c h LYS 41 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1j3c h LYS 41 CO 0.01 0.31 -0.02 1.17 -2.00 0.00 0.00 179.45 178.92 1j3c n LYS 42 N -3.93 0.88 -0.08 0.07 3.00 0.17 -3.66 118.16 114.61 1j3c n LYS 42 Ca -0.02 -0.12 -0.09 0.00 -0.00 0.00 0.00 58.31 58.09 1j3c n LYS 42 Cb 0.38 -1.50 -0.10 0.00 0.00 0.00 0.00 35.03 33.81 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 -0.96 1.23 -0.21 3.14 4.77 -0.92 -4.50 117.00 119.55 1j3c n LEU 43 Ca 0.20 -0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 56.05 1j3c n LEU 43 Cb 0.19 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1j3c n LEU 43 CO 0.20 0.52 0.86 1.23 -1.33 0.00 0.00 177.39 178.88 1j3c h GLY 44 N 2.13 1.09 0.94 -0.72 0.00 -1.57 -2.12 103.07 102.81 1j3c h GLY 44 Ca -0.38 -0.75 0.11 0.00 0.00 0.00 0.00 47.33 46.31 1j3c h GLY 44 CO -0.01 0.69 0.44 -2.09 0.00 0.00 0.00 176.54 175.57 1j3c h GLU 45 N 0.91 0.44 0.08 4.80 4.57 -1.80 -2.09 114.58 121.49 1j3c h GLU 45 Ca 0.18 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.22 1j3c h GLU 45 Cb 0.46 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1j3c h GLU 45 CO 0.02 0.29 -0.53 0.52 -1.18 0.00 0.00 179.01 178.12 1j3c h MET 46 N 0.45 0.17 -0.07 1.92 2.86 -1.72 -2.86 114.93 115.67 1j3c h MET 46 Ca 0.31 -0.28 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1j3c h MET 46 Cb 0.60 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 1j3c h MET 46 CO -0.09 1.14 0.18 2.35 1.06 0.00 0.00 176.91 181.54 1j3c h TRP 47 N -0.64 0.00 0.06 -0.22 2.91 -1.00 -1.55 115.95 115.51 1j3c h TRP 47 Ca -0.10 0.00 -0.34 0.00 1.13 0.00 0.00 58.89 59.58 1j3c h TRP 47 Cb 1.38 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.99 1j3c h TRP 47 CO 0.22 0.00 -1.96 0.45 -1.03 0.00 0.00 178.44 176.12 1j3c n SER 48 N -3.29 1.49 -0.00 2.65 2.88 -0.82 -4.14 113.62 112.38 1j3c n SER 48 Ca -0.01 0.24 -0.01 0.00 -1.33 0.00 0.00 58.87 57.76 1j3c n SER 48 Cb 0.26 -0.39 0.26 0.00 -0.75 0.00 0.00 64.21 63.59 1j3c n SER 48 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1j3c h GLU 49 N 0.03 0.53 -7.06 -1.46 5.08 -1.06 -3.43 114.58 107.20 1j3c h GLU 49 Ca -0.40 -0.14 -0.56 0.00 -1.00 0.00 0.00 59.36 57.27 1j3c h GLU 49 Cb 2.03 -0.06 0.16 0.00 0.50 0.00 0.00 28.75 31.38 1j3c h GLU 49 CO 0.07 0.61 0.42 1.04 -1.00 0.00 0.00 179.01 180.14 1j3c n GLN 50 N -4.23 0.98 0.00 2.33 1.13 -0.83 -5.03 117.38 111.73 1j3c n GLN 50 Ca 0.01 0.39 0.00 0.00 -1.94 0.00 0.00 57.00 55.46 1j3c n GLN 50 Cb 0.30 -2.45 0.00 0.00 0.11 0.00 0.00 30.24 28.19 1j3c n GLN 50 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1j3c n SER 51 N -1.83 0.00 -2.67 1.08 2.88 -1.26 -4.90 113.62 106.92 1j3c n SER 51 Ca 0.15 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.42 1j3c n SER 51 Cb 0.48 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.87 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 6.69 0.00 -1.46 0.00 -1.26 -4.01 120.51 117.47 1j3c n ALA 52 Ca 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.47 1j3c n ALA 52 Cb 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 16.93 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 1.95 0.00 0.15 0.00 5.02 -1.26 -4.70 118.16 119.32 1j3c n LYS 53 Ca 0.55 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.91 1j3c n LYS 53 Cb 0.55 -0.54 0.57 0.00 -0.02 0.00 0.00 35.03 35.59 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 0.16 -0.77 4.39 1.82 -1.94 -1.67 116.42 118.41 1j3c h ASP 54 Ca 0.00 -0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.36 1j3c h ASP 54 Cb 0.39 -0.04 -0.16 0.00 0.68 0.00 0.00 39.33 40.20 1j3c h ASP 54 CO 0.00 0.12 0.33 1.17 -1.61 0.00 0.00 179.24 179.25 1j3c n LYS 55 N -4.51 3.35 -0.12 0.28 4.81 -1.26 -4.21 118.16 116.50 1j3c n LYS 55 Ca 0.00 -3.08 -0.21 0.00 -0.87 0.00 0.00 58.31 54.15 1j3c n LYS 55 Cb 0.11 -2.19 -0.08 0.00 0.02 0.00 0.00 35.03 32.90 1j3c n LYS 55 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1j3c n GLN 56 N -0.40 0.56 0.03 1.64 1.13 -0.63 -3.99 117.38 115.72 1j3c n GLN 56 Ca 0.44 0.32 -0.11 0.00 -1.94 0.00 0.00 57.00 55.71 1j3c n GLN 56 Cb 1.43 -1.53 -0.13 0.00 0.11 0.00 0.00 30.24 30.12 1j3c n GLN 56 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1j3c h PRO 57 N -1.00 0.08 0.00 -1.09 0.13 -1.79 -3.34 132.00 124.98 1j3c h PRO 57 Ca -0.41 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1j3c h PRO 57 Cb 1.32 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1j3c h PRO 57 CO -0.25 0.85 -0.19 0.98 -0.23 0.00 0.00 178.00 179.16 1j3c n TYR 58 N -3.27 0.27 0.12 1.56 9.36 -1.26 -3.71 117.16 120.22 1j3c n TYR 58 Ca -0.11 0.08 -0.00 0.00 3.32 0.00 0.00 57.90 61.18 1j3c n TYR 58 Cb 1.01 -0.56 0.01 0.00 -0.63 0.00 0.00 39.34 39.17 1j3c n TYR 58 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1j3c h GLU 59 N 0.00 0.00 0.00 2.98 -0.00 -1.69 -3.22 114.58 112.65 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 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.33 1j3c h GLU 59 CO 0.00 0.64 -0.00 -0.56 -0.00 0.00 0.00 179.01 179.09 1j3c h GLN 60 N 0.00 0.00 -0.40 1.06 3.07 -1.74 -2.97 115.11 114.13 1j3c h GLN 60 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.69 1j3c h GLN 60 Cb 1.46 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.00 1j3c h GLN 60 CO 0.08 0.00 0.07 -0.22 0.09 0.00 0.00 178.83 178.86 1j3c h LYS 61 N 0.00 0.65 0.00 0.06 3.64 -1.72 -2.68 116.57 116.52 1j3c h LYS 61 Ca -0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1j3c h LYS 61 Cb 0.81 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1j3c h LYS 61 CO 0.00 0.70 -0.19 0.00 -2.27 0.00 0.00 179.45 177.69 1j3c h ALA 62 N 0.93 0.88 0.00 5.00 0.00 -1.72 -3.24 119.26 121.12 1j3c h ALA 62 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1j3c h ALA 62 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1j3c h ALA 62 CO 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.24 1j3c h ALA 63 N 2.45 1.79 0.00 0.00 0.00 -1.31 -0.16 119.26 122.03 1j3c h ALA 63 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j3c h ALA 63 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1j3c h ALA 63 CO 0.00 0.02 -0.04 -0.22 0.00 0.00 0.00 179.25 179.01 1j3c h LYS 64 N 0.00 0.00 -0.40 0.00 3.64 -1.59 -3.33 116.57 114.90 1j3c h LYS 64 Ca -0.00 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1j3c h LYS 64 Cb 0.03 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1j3c h LYS 64 CO 0.00 0.00 0.55 -0.07 -2.27 0.00 0.00 179.45 177.67 1j3c h LEU 65 N -0.50 0.00 0.26 5.20 4.07 -1.66 -1.05 115.31 121.63 1j3c h LEU 65 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1j3c h LEU 65 Cb 0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1j3c h LEU 65 CO 0.00 0.00 -0.13 0.50 -1.08 0.00 0.00 178.44 177.73 1j3c h LYS 66 N 0.00 -0.34 -0.10 1.13 3.64 -1.14 -0.08 116.57 119.67 1j3c h LYS 66 Ca 0.19 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1j3c h LYS 66 Cb 1.29 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1j3c h LYS 66 CO -0.00 -0.12 0.05 0.93 -2.27 0.00 0.00 179.45 178.04 1j3c h GLU 67 N -0.51 0.15 0.00 1.90 5.08 -1.30 -0.67 114.58 119.23 1j3c h GLU 67 Ca -0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1j3c h GLU 67 Cb 0.38 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1j3c h GLU 67 CO 0.06 0.23 -0.01 0.87 -1.00 0.00 0.00 179.01 179.15 1j3c h LYS 68 N 0.04 0.00 0.00 2.33 1.79 -1.47 -1.03 116.57 118.22 1j3c h LYS 68 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1j3c h LYS 68 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1j3c h LYS 68 CO -0.00 0.01 -0.02 1.88 -1.08 0.00 0.00 179.45 180.24 1j3c h TYR 69 N 0.00 0.00 -0.98 -1.35 -1.99 -0.48 -2.33 116.97 109.84 1j3c h TYR 69 Ca -0.00 0.00 0.24 0.00 2.00 0.00 0.00 58.73 60.97 1j3c h TYR 69 Cb 0.02 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 38.68 1j3c h TYR 69 CO 0.00 0.00 0.64 0.93 -0.00 0.00 0.00 178.16 179.73 1j3c h GLU 70 N -0.53 0.36 0.02 4.88 5.08 -1.12 0.91 114.58 124.18 1j3c h GLU 70 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1j3c h GLU 70 Cb 0.02 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1j3c h GLU 70 CO 0.00 0.24 -0.01 0.87 -1.00 0.00 0.00 179.01 179.11 1j3c h LYS 71 N 0.38 -0.02 0.00 2.33 1.79 -1.32 -2.53 116.57 117.19 1j3c h LYS 71 Ca 0.53 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.94 1j3c h LYS 71 Cb 1.37 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.02 1j3c h LYS 71 CO -0.21 0.73 -0.28 0.22 -1.08 0.00 0.00 179.45 178.82 1j3c h ASP 72 N -0.83 0.00 0.42 0.86 3.58 -0.81 -3.22 116.42 116.42 1j3c h ASP 72 Ca -0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 1j3c h ASP 72 Cb 0.76 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.83 1j3c h ASP 72 CO 0.00 0.28 -1.40 -0.29 -2.88 0.00 0.00 179.24 174.96 1j3c h ILE 73 N 0.00 1.35 -1.46 2.25 6.09 0.73 -3.32 117.51 123.16 1j3c h ILE 73 Ca -0.00 -2.85 0.47 0.00 -1.37 0.00 0.00 64.86 61.11 1j3c h ILE 73 Cb 0.94 2.99 -0.12 0.00 0.47 0.00 0.00 36.82 41.10 1j3c h ILE 73 CO 0.04 0.85 0.98 0.00 -3.07 0.00 0.00 178.15 176.94 1j3c h ALA 74 N 0.34 3.00 -0.00 0.18 0.00 -1.46 1.10 119.26 122.42 1j3c h ALA 74 Ca -0.21 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1j3c h ALA 74 Cb 2.09 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 20.08 1j3c h ALA 74 CO 0.24 -1.62 -0.00 0.00 0.00 0.00 0.00 179.25 177.87 1j3c h ALA 75 N 1.47 0.01 0.46 0.00 0.00 -1.74 0.75 119.26 120.21 1j3c h ALA 75 Ca 0.85 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.56 1j3c h ALA 75 Cb 2.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.65 1j3c h ALA 75 CO -0.33 -0.32 -0.22 -0.92 0.00 0.00 0.00 179.25 177.46 1j3c h TYR 76 N -0.33 -0.57 0.70 0.00 3.20 0.62 -3.35 116.97 117.24 1j3c h TYR 76 Ca 0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1j3c h TYR 76 Cb 0.34 0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.80 1j3c h TYR 76 CO 0.04 -0.35 -0.37 0.00 -1.64 0.00 0.00 178.16 175.84 1j3c h ARG 77 N -1.16 -0.95 -5.69 1.82 3.08 0.58 -3.47 114.38 108.59 1j3c h ARG 77 Ca -0.06 0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1j3c h ARG 77 Cb 0.48 0.22 0.07 0.00 0.08 0.00 0.00 29.97 30.82 1j3c h ARG 77 CO 0.10 -0.63 -0.53 0.00 -1.07 0.00 0.00 179.97 177.84 1j3c n ALA 78 N -2.56 -2.54 0.64 0.04 0.00 0.26 -5.01 120.51 111.33 1j3c n ALA 78 Ca -0.14 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.32 1j3c n ALA 78 Cb 0.41 -3.14 0.30 0.00 0.00 0.00 0.00 19.45 17.02 1j3c n ALA 78 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86