#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 -1.40 0.00 2.12 4.01 -1.26 -4.98 118.16 116.65 1j3c n LYS 2 Ca 0.00 1.21 0.00 0.00 -0.51 0.00 0.00 58.31 59.01 1j3c n LYS 2 Cb 0.00 -4.50 0.00 0.00 -0.51 0.00 0.00 35.03 30.02 1j3c n LYS 2 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1j3c n LYS 3 N -2.13 0.00 -0.51 1.97 4.81 -1.26 -5.19 118.16 115.86 1j3c n LYS 3 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1j3c n LYS 3 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 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 0.00 0.00 -2.15 1.64 5.02 -1.26 -5.14 118.16 116.27 1j3c n LYS 4 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 1j3c n LYS 4 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 0.63 6.07 0.46 4.39 1.11 -1.26 -4.92 116.67 123.15 1j3c s ASP 5 Ca 0.00 2.44 0.29 0.00 0.18 0.00 0.00 52.55 55.45 1j3c s ASP 5 Cb 0.00 -2.61 0.97 0.00 1.07 0.00 0.00 42.92 42.35 1j3c s ASP 5 CO 0.00 -1.00 1.83 1.55 1.18 0.00 0.00 175.17 178.73 1j3c h PRO 6 N 2.09 0.00 0.00 8.23 0.13 -2.01 -3.08 132.00 137.36 1j3c h PRO 6 Ca -0.50 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.47 1j3c h PRO 6 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1j3c h PRO 6 CO 0.60 0.00 -0.99 -0.91 -0.23 0.00 0.00 178.00 176.47 1j3c h ASN 7 N 0.00 0.00 -3.18 1.44 4.21 -2.06 -3.46 115.58 112.52 1j3c h ASN 7 Ca 0.00 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.99 1j3c h ASN 7 Cb 0.66 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.86 1j3c h ASN 7 CO 0.00 0.68 -0.14 0.00 -1.29 0.00 0.00 177.43 176.68 1j3c s ALA 8 N -2.86 3.63 0.15 -0.83 0.00 -1.17 -5.05 121.76 115.63 1j3c s ALA 8 Ca 0.01 -0.58 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 1j3c s ALA 8 Cb 0.08 -2.29 -0.07 0.00 0.00 0.00 0.00 23.12 20.84 1j3c s ALA 8 CO 0.79 0.22 1.18 -1.25 0.00 0.00 0.00 175.76 176.70 1j3c s PRO 9 N -3.60 4.50 -0.04 0.00 0.04 -1.26 -4.78 135.00 129.85 1j3c s PRO 9 Ca 0.44 1.82 0.21 0.00 0.04 0.00 0.00 61.00 63.50 1j3c s PRO 9 Cb -0.11 -3.28 0.36 0.00 0.04 0.00 0.00 34.50 31.52 1j3c s PRO 9 CO 0.30 -0.10 1.14 0.36 0.04 0.00 0.00 177.00 178.75 1j3c n LYS 10 N 2.86 0.23 -3.03 4.56 2.85 -1.26 -4.95 118.16 119.41 1j3c n LYS 10 Ca 0.05 -1.96 -0.18 0.00 -1.05 0.00 0.00 58.31 55.17 1j3c n LYS 10 Cb 0.45 -0.07 -0.02 0.00 -0.65 0.00 0.00 35.03 34.74 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 0.23 0.77 -2.54 -1.58 1.74 -1.26 -5.02 116.66 108.99 1j3c n ARG 11 Ca -0.01 -2.71 -0.43 0.00 -0.77 0.00 0.00 57.85 53.94 1j3c n ARG 11 Cb 1.02 -1.32 -0.02 0.00 -1.02 0.00 0.00 32.46 31.12 1j3c n ARG 11 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1j3c s PRO 12 N -0.62 4.34 0.90 5.56 0.04 -1.26 -5.03 135.00 138.92 1j3c s PRO 12 Ca 0.34 1.55 -0.13 0.00 0.04 0.00 0.00 61.00 62.79 1j3c s PRO 12 Cb 0.21 -3.60 0.17 0.00 0.04 0.00 0.00 34.50 31.31 1j3c s PRO 12 CO -0.15 -0.48 1.25 -1.25 0.04 0.00 0.00 177.00 176.41 1j3c s PRO 13 N 2.53 1.01 -0.39 0.56 0.04 -1.26 -5.06 135.00 132.44 1j3c s PRO 13 Ca 0.52 -0.40 0.05 0.00 0.04 0.00 0.00 61.00 61.21 1j3c s PRO 13 Cb -0.21 -1.93 0.30 0.00 0.04 0.00 0.00 34.50 32.70 1j3c s PRO 13 CO 0.17 -2.14 1.24 -1.13 0.04 0.00 0.00 177.00 175.18 1j3c n SER 14 N -3.56 -1.75 0.00 6.66 3.41 -1.26 -4.84 113.62 112.27 1j3c n SER 14 Ca 0.14 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 1j3c n SER 14 Cb 0.60 1.39 0.00 0.00 -0.26 0.00 0.00 64.21 65.94 1j3c n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j3c n ALA 15 N 0.07 0.00 -0.20 7.33 0.00 -1.25 -4.20 120.51 122.27 1j3c n ALA 15 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 1j3c n ALA 15 Cb 0.74 0.00 0.05 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 -0.47 -0.39 0.00 3.04 -1.97 0.48 116.94 117.63 1j3c h PHE 16 Ca 0.00 0.06 0.11 0.00 3.98 0.00 0.00 57.97 62.12 1j3c h PHE 16 Cb 0.00 0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 1j3c h PHE 16 CO 0.00 -0.30 0.34 0.35 -2.02 0.00 0.00 178.31 176.68 1j3c h PHE 17 N -0.05 0.00 0.00 0.41 3.04 -1.96 0.12 116.94 118.50 1j3c h PHE 17 Ca 0.28 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 62.11 1j3c h PHE 17 Cb 0.48 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 1j3c h PHE 17 CO -0.53 0.00 -0.91 -0.07 -2.02 0.00 0.00 178.31 174.78 1j3c h LEU 18 N 0.00 0.00 0.00 0.59 3.38 -0.41 -3.14 115.31 115.73 1j3c h LEU 18 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1j3c h LEU 18 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1j3c h LEU 18 CO -0.00 0.46 -0.09 0.15 0.09 0.00 0.00 178.44 179.05 1j3c h PHE 19 N 0.00 0.00 -0.12 1.13 3.57 0.54 -3.19 116.94 118.87 1j3c h PHE 19 Ca -0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1j3c h PHE 19 Cb 1.41 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 1j3c h PHE 19 CO 0.00 0.27 0.08 0.00 -2.23 0.00 0.00 178.31 176.43 1j3c h SER 21 N 0.15 0.00 0.00 0.00 0.87 -1.72 -0.92 113.55 111.94 1j3c h SER 21 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1j3c h SER 21 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1j3c h SER 21 CO -0.01 0.00 -0.98 -0.62 -0.53 0.00 0.00 176.83 174.69 1j3c n GLU 22 N -3.22 1.86 -0.06 2.24 -0.58 -0.67 -4.60 120.64 115.61 1j3c n GLU 22 Ca -0.02 -0.04 -0.17 0.00 -0.42 0.00 0.00 57.16 56.50 1j3c n GLU 22 Cb 0.21 -1.19 -0.13 0.00 -0.57 0.00 0.00 31.44 29.76 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 -1.55 0.66 -0.20 -0.32 4.02 0.13 -4.31 117.16 115.59 1j3c n TYR 23 Ca 0.01 0.16 -0.03 0.00 -0.01 0.00 0.00 57.90 58.03 1j3c n TYR 23 Cb 0.26 -1.09 0.04 0.00 -0.02 0.00 0.00 39.34 38.52 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 0.03 -0.08 0.00 -0.72 3.08 -1.43 0.39 114.38 115.65 1j3c h ARG 24 Ca -0.48 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.58 1j3c h ARG 24 Cb 2.01 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 32.08 1j3c h ARG 24 CO 0.02 -0.05 -0.01 -1.00 -1.07 0.00 0.00 179.97 177.86 1j3c h PRO 25 N -0.08 0.00 -0.10 0.04 0.13 -1.83 -0.93 132.00 129.23 1j3c h PRO 25 Ca 0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.36 1j3c h PRO 25 Cb 0.51 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 1j3c h PRO 25 CO -0.65 0.01 -0.10 -0.22 -0.23 0.00 0.00 178.00 176.81 1j3c h LYS 26 N 0.00 0.25 0.00 0.86 3.11 -0.46 -2.69 116.57 117.64 1j3c h LYS 26 Ca -0.00 -0.13 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1j3c h LYS 26 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.25 1j3c h LYS 26 CO 0.00 0.66 0.09 0.82 -2.81 0.00 0.00 179.45 178.22 1j3c h ILE 27 N -0.15 0.00 0.00 2.00 1.08 0.06 -1.45 117.51 119.05 1j3c h ILE 27 Ca 0.02 0.00 -0.22 0.00 -0.39 0.00 0.00 64.86 64.27 1j3c h ILE 27 Cb 0.61 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 35.10 1j3c h ILE 27 CO 0.02 0.00 -1.24 0.11 -0.69 0.00 0.00 178.15 176.35 1j3c h LYS 28 N 0.00 0.00 0.00 2.37 1.79 -1.12 -1.12 116.57 118.49 1j3c h LYS 28 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1j3c h LYS 28 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1j3c h LYS 28 CO 0.00 0.63 0.00 1.03 -1.08 0.00 0.00 179.45 180.03 1j3c h SER 29 N 0.00 0.00 0.00 0.86 0.87 -1.20 -3.22 113.55 110.87 1j3c h SER 29 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1j3c h SER 29 Cb 1.77 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.73 1j3c h SER 29 CO 0.09 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.77 1j3c n GLU 30 N -2.89 0.17 -3.48 2.24 -0.58 -1.24 -4.95 120.64 109.92 1j3c n GLU 30 Ca 0.00 -0.26 -0.28 0.00 -0.42 0.00 0.00 57.16 56.20 1j3c n GLU 30 Cb 0.25 -0.73 -0.13 0.00 -0.57 0.00 0.00 31.44 30.26 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 -0.10 0.48 0.13 -0.32 3.76 -0.42 -4.98 115.29 113.83 1j3c s HIS 31 Ca 0.00 -1.28 -0.07 0.00 -0.15 0.00 0.00 55.06 53.56 1j3c s HIS 31 Cb 0.00 -0.86 -0.09 0.00 1.11 0.00 0.00 32.58 32.74 1j3c s HIS 31 CO 0.00 -0.84 1.32 -1.00 -0.85 0.00 0.00 174.74 173.37 1j3c h PRO 32 N 7.51 0.55 0.00 8.40 0.13 -1.81 -3.11 132.00 143.68 1j3c h PRO 32 Ca -0.03 -0.52 -0.08 0.00 -0.87 0.00 0.00 66.00 64.50 1j3c h PRO 32 Cb 0.99 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1j3c h PRO 32 CO 0.32 1.15 -0.36 0.78 -0.23 0.00 0.00 178.00 179.65 1j3c h GLY 33 N 0.94 0.00 -7.15 1.56 0.00 -1.95 -3.42 103.07 93.05 1j3c h GLY 33 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.02 1j3c h GLY 33 CO 0.16 0.00 1.25 -0.10 0.00 0.00 0.00 176.54 177.85 1j3c n LEU 34 N -3.64 -0.02 0.00 3.11 -0.00 -1.17 -4.90 117.00 110.38 1j3c n LEU 34 Ca -0.01 -0.87 -0.29 0.00 -0.00 0.00 0.00 56.01 54.84 1j3c n LEU 34 Cb 0.47 -1.01 0.22 0.00 -0.00 0.00 0.00 43.42 43.09 1j3c n LEU 34 CO 0.37 -1.86 0.78 -1.54 -0.00 0.00 0.00 177.39 175.14 1j3c n SER 35 N 11.12 -0.61 0.01 1.96 3.41 -1.26 -4.53 113.62 123.72 1j3c n SER 35 Ca 0.59 -1.37 0.04 0.00 -0.26 0.00 0.00 58.87 57.86 1j3c n SER 35 Cb 0.26 -1.00 0.42 0.00 -0.26 0.00 0.00 64.21 63.62 1j3c n SER 35 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1j3c h ILE 36 N -2.07 1.11 0.40 -1.33 5.03 -1.95 0.85 117.51 119.55 1j3c h ILE 36 Ca -0.42 -0.26 -0.02 0.00 -0.12 0.00 0.00 64.86 64.04 1j3c h ILE 36 Cb 1.19 0.58 -0.00 0.00 -3.03 0.00 0.00 36.82 35.56 1j3c h ILE 36 CO 0.29 0.12 -0.23 1.23 -0.68 0.00 0.00 178.15 178.87 1j3c h GLY 37 N 0.57 -0.63 1.43 5.37 0.00 -1.98 0.40 103.07 108.24 1j3c h GLY 37 Ca 0.14 0.26 -0.20 0.00 0.00 0.00 0.00 47.33 47.53 1j3c h GLY 37 CO -0.03 -0.24 -0.74 -0.55 0.00 0.00 0.00 176.54 174.98 1j3c h ASP 38 N -0.60 0.66 0.39 0.19 3.32 -1.80 -2.61 116.42 115.98 1j3c h ASP 38 Ca -0.05 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 1j3c h ASP 38 Cb 0.49 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1j3c h ASP 38 CO 0.06 1.19 -0.14 0.74 -1.72 0.00 0.00 179.24 179.37 1j3c h THR 39 N 0.38 0.61 0.06 0.35 2.02 0.91 0.93 112.91 118.17 1j3c h THR 39 Ca -0.04 -0.60 -0.28 0.00 0.77 0.00 0.00 66.41 66.27 1j3c h THR 39 Cb 1.34 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 1j3c h THR 39 CO 0.14 0.13 -1.43 0.00 0.37 0.00 0.00 175.52 174.73 1j3c h ALA 40 N 1.86 0.40 0.00 6.16 0.00 -0.05 -3.34 119.26 124.29 1j3c h ALA 40 Ca -0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1j3c h ALA 40 Cb 0.37 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1j3c h ALA 40 CO 0.02 1.27 -1.47 0.36 0.00 0.00 0.00 179.25 179.43 1j3c n LYS 41 N -3.34 0.32 0.00 0.00 2.85 -1.00 -4.21 118.16 112.79 1j3c n LYS 41 Ca -0.12 -0.09 0.14 0.00 -1.05 0.00 0.00 58.31 57.18 1j3c n LYS 41 Cb 1.02 -1.51 0.58 0.00 -0.65 0.00 0.00 35.03 34.47 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 -1.86 0.64 -0.08 -1.58 3.00 0.32 -3.80 118.16 114.80 1j3c n LYS 42 Ca 0.00 -0.23 -0.18 0.00 -0.00 0.00 0.00 58.31 57.90 1j3c n LYS 42 Cb 0.44 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 33.85 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 -0.98 2.54 0.06 3.14 4.77 -1.25 -4.25 117.00 121.03 1j3c n LEU 43 Ca 0.14 -0.01 0.07 0.00 -0.03 0.00 0.00 56.01 56.18 1j3c n LEU 43 Cb 0.29 -0.81 0.50 0.00 -2.33 0.00 0.00 43.42 41.08 1j3c n LEU 43 CO 0.24 0.86 1.14 1.23 -1.33 0.00 0.00 177.39 179.53 1j3c h GLY 44 N 1.98 0.40 0.69 -0.72 0.00 -1.73 -1.76 103.07 101.93 1j3c h GLY 44 Ca -0.52 -0.14 0.11 0.00 0.00 0.00 0.00 47.33 46.78 1j3c h GLY 44 CO -0.02 0.13 0.55 -2.09 0.00 0.00 0.00 176.54 175.11 1j3c h GLU 45 N 0.36 0.74 0.01 4.80 4.81 -1.74 -1.94 114.58 121.62 1j3c h GLU 45 Ca 0.13 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.17 1j3c h GLU 45 Cb 0.09 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.32 1j3c h GLU 45 CO -0.03 0.49 -0.60 0.52 -0.73 0.00 0.00 179.01 178.66 1j3c h MET 46 N 0.76 0.39 -0.14 1.92 2.86 -1.55 -3.04 114.93 116.13 1j3c h MET 46 Ca 0.41 -0.43 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1j3c h MET 46 Cb 0.54 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1j3c h MET 46 CO -0.17 1.10 0.30 2.35 1.06 0.00 0.00 176.91 181.55 1j3c h TRP 47 N -0.14 0.00 0.02 -0.22 2.91 -1.15 0.18 115.95 117.56 1j3c h TRP 47 Ca -0.08 0.00 -0.29 0.00 1.13 0.00 0.00 58.89 59.65 1j3c h TRP 47 Cb 1.32 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.93 1j3c h TRP 47 CO 0.15 0.00 -1.66 1.03 -1.03 0.00 0.00 178.44 176.93 1j3c h SER 48 N 0.00 0.07 0.21 2.65 0.87 -1.39 -3.33 113.55 112.63 1j3c h SER 48 Ca 0.07 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1j3c h SER 48 Cb 0.67 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1j3c h SER 48 CO -0.00 1.13 -0.26 -0.62 -0.53 0.00 0.00 176.83 176.54 1j3c n GLU 49 N -3.15 0.90 0.00 2.24 -0.58 -0.04 -4.92 120.64 115.08 1j3c n GLU 49 Ca -0.17 -0.55 0.00 0.00 -0.42 0.00 0.00 57.16 56.03 1j3c n GLU 49 Cb 1.04 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.42 1j3c n GLU 49 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1j3c n GLN 50 N -0.58 -1.04 0.00 3.49 -0.00 0.45 -5.07 117.38 114.64 1j3c n GLN 50 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.12 1j3c n GLN 50 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.60 1j3c n GLN 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1j3c n SER 51 N -2.10 1.23 0.00 2.61 2.88 -1.26 -4.99 113.62 111.99 1j3c n SER 51 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1j3c n SER 51 Cb 0.00 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.03 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 2.17 -0.01 -1.46 0.00 -1.26 -3.31 120.51 113.65 1j3c n ALA 52 Ca 0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 1j3c n ALA 52 Cb 0.00 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.96 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 -1.19 0.74 -1.36 0.00 5.02 -1.26 -3.88 118.16 116.23 1j3c n LYS 53 Ca 0.12 0.26 -0.23 0.00 -2.02 0.00 0.00 58.31 56.44 1j3c n LYS 53 Cb 0.14 -1.71 -0.09 0.00 -0.02 0.00 0.00 35.03 33.35 1j3c n LYS 53 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1j3c n ASP 54 N -3.42 6.15 0.24 4.39 -0.08 -1.21 -4.22 116.55 118.41 1j3c n ASP 54 Ca -0.31 -3.02 0.00 0.00 -1.51 0.00 0.00 54.79 49.95 1j3c n ASP 54 Cb 1.05 -1.28 0.00 0.00 2.34 0.00 0.00 41.12 43.23 1j3c n ASP 54 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1j3c n LYS 55 N 1.29 0.00 -0.34 -0.67 5.02 -1.26 -4.83 118.16 117.36 1j3c n LYS 55 Ca 0.47 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.77 1j3c n LYS 55 Cb 0.65 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.73 1j3c n LYS 55 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1j3c h GLN 56 N 0.00 -0.02 -0.02 1.97 1.08 -1.73 1.69 115.11 118.08 1j3c h GLN 56 Ca 0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 1j3c h GLN 56 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1j3c h GLN 56 CO 0.00 -0.01 -0.89 -1.00 -0.95 0.00 0.00 178.83 175.97 1j3c h PRO 57 N -0.02 0.44 0.00 1.46 0.13 -1.89 -3.03 132.00 129.09 1j3c h PRO 57 Ca 0.38 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1j3c h PRO 57 Cb 0.63 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1j3c h PRO 57 CO -0.95 1.10 -0.69 1.88 -0.23 0.00 0.00 178.00 179.11 1j3c h TYR 58 N 0.26 0.00 0.02 1.56 -1.99 -1.51 -3.27 116.97 112.04 1j3c h TYR 58 Ca -0.07 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.40 1j3c h TYR 58 Cb 1.52 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 40.21 1j3c h TYR 58 CO 0.06 0.00 -1.41 1.05 -0.00 0.00 0.00 178.16 177.86 1j3c h GLU 59 N 0.00 0.04 0.00 4.88 -0.00 0.24 -3.31 114.58 116.42 1j3c h GLU 59 Ca 0.00 -0.06 -0.09 0.00 -0.00 0.00 0.00 59.36 59.21 1j3c h GLU 59 Cb 0.89 0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.65 1j3c h GLU 59 CO 0.00 0.79 -0.42 -0.56 -0.00 0.00 0.00 179.01 178.82 1j3c h GLN 60 N 0.01 0.00 -0.57 1.06 3.07 -1.66 -3.03 115.11 113.99 1j3c h GLN 60 Ca -0.17 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.54 1j3c h GLN 60 Cb 1.92 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.45 1j3c h GLN 60 CO 0.11 0.42 0.25 -0.22 0.09 0.00 0.00 178.83 179.48 1j3c h LYS 61 N 0.00 0.84 0.00 0.06 3.64 -1.65 -2.01 116.57 117.45 1j3c h LYS 61 Ca -0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1j3c h LYS 61 Cb 1.21 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1j3c h LYS 61 CO 0.05 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 177.94 1j3c h ALA 62 N 1.09 1.00 -0.76 5.00 0.00 -1.69 -3.28 119.26 120.62 1j3c h ALA 62 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1j3c h ALA 62 Cb 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1j3c h ALA 62 CO -0.02 0.00 0.47 0.00 0.00 0.00 0.00 179.25 179.70 1j3c h ALA 63 N 2.34 1.00 0.39 0.00 0.00 -1.23 -1.90 119.26 119.86 1j3c h ALA 63 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1j3c h ALA 63 Cb 0.78 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1j3c h ALA 63 CO 0.00 0.25 -0.19 0.87 0.00 0.00 0.00 179.25 180.18 1j3c h LYS 64 N 0.91 -0.51 -1.02 0.00 1.79 -1.62 -3.19 116.57 112.93 1j3c h LYS 64 Ca 0.31 0.03 0.30 0.00 -2.18 0.00 0.00 60.65 59.11 1j3c h LYS 64 Cb 0.05 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 1j3c h LYS 64 CO -0.13 -0.34 0.94 -0.07 -1.08 0.00 0.00 179.45 178.78 1j3c h LEU 65 N -0.92 0.00 0.15 2.94 4.07 -1.68 0.90 115.31 120.77 1j3c h LEU 65 Ca -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1j3c h LEU 65 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1j3c h LEU 65 CO 0.09 0.00 -0.07 0.50 -1.08 0.00 0.00 178.44 177.88 1j3c h LYS 66 N 0.00 -0.19 0.20 1.13 1.63 -1.33 -1.00 116.57 117.00 1j3c h LYS 66 Ca 0.49 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.29 1j3c h LYS 66 Cb 2.36 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 34.04 1j3c h LYS 66 CO -0.01 0.04 -0.09 0.93 -3.45 0.00 0.00 179.45 176.88 1j3c h GLU 67 N -0.41 -0.25 -0.23 1.90 5.08 -0.88 -0.16 114.58 119.62 1j3c h GLU 67 Ca -0.02 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1j3c h GLU 67 Cb 0.33 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1j3c h GLU 67 CO 0.03 -0.14 0.24 0.87 -1.00 0.00 0.00 179.01 179.02 1j3c h LYS 68 N -0.30 0.00 0.00 2.33 1.57 -1.46 0.16 116.57 118.87 1j3c h LYS 68 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1j3c h LYS 68 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1j3c h LYS 68 CO 0.04 0.00 -0.06 -0.92 -0.57 0.00 0.00 179.45 177.94 1j3c h TYR 69 N 0.00 0.00 -0.19 -1.35 5.03 -0.42 -1.12 116.97 118.93 1j3c h TYR 69 Ca 0.11 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.47 1j3c h TYR 69 Cb 0.59 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.87 1j3c h TYR 69 CO 0.00 0.00 0.28 0.93 -1.32 0.00 0.00 178.16 178.05 1j3c h GLU 70 N -0.66 0.00 0.00 1.82 5.08 -0.89 -0.50 114.58 119.43 1j3c h GLU 70 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1j3c h GLU 70 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1j3c h GLU 70 CO 0.00 0.00 -0.48 -0.22 -1.00 0.00 0.00 179.01 177.31 1j3c h LYS 71 N 0.00 0.00 -0.11 2.33 3.64 -0.79 -3.30 116.57 118.34 1j3c h LYS 71 Ca 0.09 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1j3c h LYS 71 Cb 0.65 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1j3c h LYS 71 CO -0.00 0.01 0.21 0.22 -2.27 0.00 0.00 179.45 177.62 1j3c h ASP 72 N -1.00 0.00 0.75 4.20 1.82 -1.04 -0.03 116.42 121.11 1j3c h ASP 72 Ca -0.00 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.42 1j3c h ASP 72 Cb 0.48 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.48 1j3c h ASP 72 CO -0.00 0.00 -0.99 -0.29 -1.61 0.00 0.00 179.24 176.35 1j3c h ILE 73 N 0.00 1.58 -0.82 2.25 6.09 -1.26 -3.23 117.51 122.12 1j3c h ILE 73 Ca 0.05 -2.99 0.23 0.00 -1.37 0.00 0.00 64.86 60.79 1j3c h ILE 73 Cb 0.48 2.69 -0.04 0.00 0.47 0.00 0.00 36.82 40.42 1j3c h ILE 73 CO -0.00 0.86 0.59 0.00 -3.07 0.00 0.00 178.15 176.53 1j3c h ALA 74 N 0.92 2.69 -0.00 0.18 0.00 -1.06 0.91 119.26 122.90 1j3c h ALA 74 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1j3c h ALA 74 Cb 1.68 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1j3c h ALA 74 CO 0.14 -0.93 -0.04 0.00 0.00 0.00 0.00 179.25 178.42 1j3c n ALA 75 N -2.67 2.67 -0.99 0.00 0.00 -1.22 -3.35 120.51 114.94 1j3c n ALA 75 Ca 0.17 -0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1j3c n ALA 75 Cb 0.86 -1.40 0.32 0.00 0.00 0.00 0.00 19.45 19.22 1j3c n ALA 75 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1j3c n TYR 76 N -0.86 1.52 0.00 0.00 9.36 0.31 -4.51 117.16 122.99 1j3c n TYR 76 Ca 0.18 -0.89 0.00 0.00 3.32 0.00 0.00 57.90 60.51 1j3c n TYR 76 Cb 0.23 -0.44 0.00 0.00 -0.63 0.00 0.00 39.34 38.50 1j3c n TYR 76 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1j3c n ARG 77 N -0.10 1.38 -3.19 2.98 1.74 -1.21 -5.09 116.66 113.16 1j3c n ARG 77 Ca 0.26 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.20 1j3c n ARG 77 Cb 1.07 -0.74 0.01 0.00 -1.02 0.00 0.00 32.46 31.78 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 -1.42 -2.69 0.21 7.54 0.00 -1.25 -5.17 120.51 117.72 1j3c n ALA 78 Ca 0.00 0.44 0.02 0.00 0.00 0.00 0.00 53.44 53.90 1j3c n ALA 78 Cb 0.24 -2.32 0.02 0.00 0.00 0.00 0.00 19.45 17.39 1j3c n ALA 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67