#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 3.31 -2.03 2.12 4.01 -1.26 -4.92 118.16 119.39 1j3c n LYS 2 Ca 0.00 -3.08 -0.39 0.00 -0.51 0.00 0.00 58.31 54.33 1j3c n LYS 2 Cb 0.00 -2.21 -0.03 0.00 -0.51 0.00 0.00 35.03 32.28 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 -3.09 2.69 0.10 1.97 2.20 -1.26 -4.88 119.74 117.48 1j3c s LYS 3 Ca 0.56 0.70 -0.03 0.00 -0.36 0.00 0.00 55.97 56.83 1j3c s LYS 3 Cb 0.45 -4.37 0.01 0.00 -1.51 0.00 0.00 37.83 32.42 1j3c s LYS 3 CO 0.13 -2.65 0.19 1.63 -0.36 0.00 0.00 175.35 174.29 1j3c n LYS 4 N 9.10 0.28 -4.44 4.03 5.02 -1.26 -5.17 118.16 125.73 1j3c n LYS 4 Ca 0.21 -0.61 -0.23 0.00 -2.02 0.00 0.00 58.31 55.67 1j3c n LYS 4 Cb 0.52 0.72 -0.09 0.00 -0.02 0.00 0.00 35.03 36.16 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 -1.55 2.27 0.33 4.39 1.11 -1.26 -5.03 116.67 116.94 1j3c s ASP 5 Ca 0.05 -1.61 0.13 0.00 0.18 0.00 0.00 52.55 51.29 1j3c s ASP 5 Cb -0.01 0.40 0.58 0.00 1.07 0.00 0.00 42.92 44.96 1j3c s ASP 5 CO 0.03 -0.89 1.73 1.55 1.18 0.00 0.00 175.17 178.78 1j3c h PRO 6 N 1.98 0.00 0.00 8.23 0.13 -2.03 -2.83 132.00 137.48 1j3c h PRO 6 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1j3c h PRO 6 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1j3c h PRO 6 CO 0.55 0.47 0.00 -0.97 -0.23 0.00 0.00 178.00 177.83 1j3c h ASN 7 N 0.00 0.00 -3.13 1.44 -0.73 -2.07 -3.44 115.58 107.66 1j3c h ASN 7 Ca -0.00 0.00 -0.60 0.00 1.87 0.00 0.00 56.30 57.56 1j3c h ASN 7 Cb 0.86 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 39.37 1j3c h ASN 7 CO 0.06 0.00 -0.30 0.00 -0.37 0.00 0.00 177.43 176.83 1j3c s ALA 8 N -3.27 3.65 -0.43 1.57 0.00 -1.07 -5.02 121.76 117.18 1j3c s ALA 8 Ca 0.06 -0.39 -0.28 0.00 0.00 0.00 0.00 51.96 51.35 1j3c s ALA 8 Cb 0.07 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1j3c s ALA 8 CO 0.64 0.27 1.56 -1.25 0.00 0.00 0.00 175.76 176.97 1j3c s PRO 9 N -0.16 3.38 0.00 0.00 0.04 -1.26 -4.58 135.00 132.42 1j3c s PRO 9 Ca 0.19 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1j3c s PRO 9 Cb -0.14 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1j3c s PRO 9 CO 0.07 -1.81 0.00 0.36 0.04 0.00 0.00 177.00 175.66 1j3c n LYS 10 N 8.38 1.82 -1.73 4.56 2.85 -1.26 -4.86 118.16 127.91 1j3c n LYS 10 Ca 0.18 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 57.02 1j3c n LYS 10 Cb 0.48 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 2.42 -2.46 -1.58 3.00 -1.26 -4.93 116.66 111.85 1j3c n ARG 11 Ca 0.00 0.85 -0.41 0.00 -0.01 0.00 0.00 57.85 58.28 1j3c n ARG 11 Cb 0.00 -2.54 -0.04 0.00 0.00 0.00 0.00 32.46 29.89 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 -1.45 4.53 0.98 5.56 0.04 -1.26 -5.04 135.00 138.37 1j3c s PRO 12 Ca 0.58 1.77 -0.16 0.00 0.04 0.00 0.00 61.00 63.23 1j3c s PRO 12 Cb -0.53 -3.28 0.22 0.00 0.04 0.00 0.00 34.50 30.95 1j3c s PRO 12 CO 0.58 -0.04 1.34 -1.25 0.04 0.00 0.00 177.00 177.67 1j3c s PRO 13 N -0.03 0.41 -0.38 0.56 0.04 -1.26 -5.04 135.00 129.30 1j3c s PRO 13 Ca 0.52 -0.55 0.04 0.00 0.04 0.00 0.00 61.00 61.05 1j3c s PRO 13 Cb -0.30 -1.85 0.31 0.00 0.04 0.00 0.00 34.50 32.71 1j3c s PRO 13 CO 0.34 -2.54 1.26 0.43 0.04 0.00 0.00 177.00 176.53 1j3c n SER 14 N -3.82 -1.72 0.00 6.66 7.64 -1.26 -4.76 113.62 116.36 1j3c n SER 14 Ca 0.17 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.47 1j3c n SER 14 Cb 0.59 1.42 0.00 0.00 -1.01 0.00 0.00 64.21 65.21 1j3c n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j3c n ALA 15 N 0.62 0.00 -0.20 -0.43 0.00 -1.25 -4.13 120.51 115.11 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 0.73 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.22 -0.36 0.00 3.04 -1.97 0.33 116.94 117.77 1j3c h PHE 16 Ca 0.00 0.05 0.08 0.00 3.98 0.00 0.00 57.97 62.08 1j3c h PHE 16 Cb 0.00 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 1j3c h PHE 16 CO 0.00 -0.22 0.25 0.35 -2.02 0.00 0.00 178.31 176.67 1j3c h PHE 17 N 0.04 0.13 0.03 0.41 3.57 -1.95 -0.43 116.94 118.73 1j3c h PHE 17 Ca 0.30 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.58 1j3c h PHE 17 Cb 0.47 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1j3c h PHE 17 CO -0.44 0.07 -0.99 -0.07 -2.23 0.00 0.00 178.31 174.64 1j3c h LEU 18 N 0.13 0.14 0.08 0.59 3.38 -0.73 -2.94 115.31 115.96 1j3c h LEU 18 Ca 0.17 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1j3c h LEU 18 Cb 0.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1j3c h LEU 18 CO -0.02 1.05 -0.04 0.15 0.09 0.00 0.00 178.44 179.67 1j3c h PHE 19 N 0.04 -0.10 0.15 1.13 3.57 0.31 -3.06 116.94 118.97 1j3c h PHE 19 Ca -0.04 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1j3c h PHE 19 Cb 1.70 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.46 1j3c h PHE 19 CO 0.02 0.35 -0.17 0.00 -2.23 0.00 0.00 178.31 176.29 1j3c h SER 21 N -0.35 0.00 0.10 0.00 0.87 -1.67 0.24 113.55 112.73 1j3c h SER 21 Ca 0.01 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 1j3c h SER 21 Cb 0.34 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1j3c h SER 21 CO -0.06 0.00 -2.08 -0.62 -0.53 0.00 0.00 176.83 173.54 1j3c n GLU 22 N -3.56 0.67 0.02 2.24 -0.58 -0.57 -4.46 120.64 114.39 1j3c n GLU 22 Ca 0.02 -0.07 -0.17 0.00 -0.42 0.00 0.00 57.16 56.52 1j3c n GLU 22 Cb 0.37 -1.56 -0.14 0.00 -0.57 0.00 0.00 31.44 29.54 1j3c n GLU 22 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1j3c h TYR 23 N 0.00 0.38 -0.52 -0.32 -1.99 0.14 -3.37 116.97 111.29 1j3c h TYR 23 Ca -0.25 -0.28 0.10 0.00 2.00 0.00 0.00 58.73 60.31 1j3c h TYR 23 Cb 1.59 -0.02 -0.10 0.00 2.00 0.00 0.00 36.73 40.20 1j3c h TYR 23 CO 0.00 1.48 -0.20 0.00 -0.00 0.00 0.00 178.16 179.44 1j3c h ARG 24 N 0.06 -0.08 0.00 4.88 3.08 -0.79 0.24 114.38 121.77 1j3c h ARG 24 Ca -0.33 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 1j3c h ARG 24 Cb 2.03 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 32.10 1j3c h ARG 24 CO 0.11 -0.05 -0.00 -1.00 -1.07 0.00 0.00 179.97 177.96 1j3c h PRO 25 N -0.08 0.00 -0.27 0.04 0.13 -1.79 -1.02 132.00 129.00 1j3c h PRO 25 Ca 0.24 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.31 1j3c h PRO 25 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1j3c h PRO 25 CO -0.58 0.00 -0.09 -0.22 -0.23 0.00 0.00 178.00 176.89 1j3c h LYS 26 N 0.00 0.55 -0.02 0.86 3.11 -0.73 -2.35 116.57 118.00 1j3c h LYS 26 Ca -0.00 -0.22 0.00 0.00 -2.81 0.00 0.00 60.65 57.62 1j3c h LYS 26 Cb 0.01 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1j3c h LYS 26 CO 0.00 0.77 0.03 0.82 -2.81 0.00 0.00 179.45 178.26 1j3c h ILE 27 N 0.29 0.33 0.18 2.00 1.08 -0.04 -2.35 117.51 119.01 1j3c h ILE 27 Ca 0.07 0.00 -0.33 0.00 -0.39 0.00 0.00 64.86 64.20 1j3c h ILE 27 Cb 0.58 0.98 0.01 0.00 -3.07 0.00 0.00 36.82 35.32 1j3c h ILE 27 CO 0.03 0.00 -1.61 0.11 -0.69 0.00 0.00 178.15 176.00 1j3c h LYS 28 N 0.00 0.39 -0.17 2.37 1.79 -1.06 0.46 116.57 120.35 1j3c h LYS 28 Ca 0.01 -0.66 0.05 0.00 -2.18 0.00 0.00 60.65 57.87 1j3c h LYS 28 Cb 0.06 0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1j3c h LYS 28 CO -0.00 1.29 0.17 1.03 -1.08 0.00 0.00 179.45 180.86 1j3c h SER 29 N 0.11 0.00 0.00 0.86 0.87 -1.00 -3.20 113.55 111.19 1j3c h SER 29 Ca -0.29 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.03 1j3c h SER 29 Cb 2.09 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 64.01 1j3c h SER 29 CO 0.20 0.00 -1.84 -0.62 -0.53 0.00 0.00 176.83 174.04 1j3c n GLU 30 N -3.97 0.33 -3.48 2.24 -0.58 -1.20 -4.90 120.64 109.08 1j3c n GLU 30 Ca 0.01 0.13 -0.43 0.00 -0.42 0.00 0.00 57.16 56.45 1j3c n GLU 30 Cb 0.29 -1.08 -0.08 0.00 -0.57 0.00 0.00 31.44 29.99 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 -2.28 3.30 -0.01 -0.32 3.76 0.16 -4.92 115.29 114.99 1j3c s HIS 31 Ca -0.21 -1.33 -0.16 0.00 -0.15 0.00 0.00 55.06 53.22 1j3c s HIS 31 Cb 0.07 -3.24 -0.34 0.00 1.11 0.00 0.00 32.58 30.19 1j3c s HIS 31 CO 0.28 -0.88 0.89 -1.00 -0.85 0.00 0.00 174.74 173.18 1j3c h PRO 32 N 8.61 0.46 0.00 8.40 0.13 -1.77 -3.24 132.00 144.59 1j3c h PRO 32 Ca -0.26 -0.79 -0.02 0.00 -0.87 0.00 0.00 66.00 64.07 1j3c h PRO 32 Cb 1.09 0.29 -0.00 0.00 0.13 0.00 0.00 31.00 32.52 1j3c h PRO 32 CO 0.86 1.38 -0.08 0.78 -0.23 0.00 0.00 178.00 180.70 1j3c h GLY 33 N 0.15 0.00 -7.23 1.56 0.00 -1.92 -3.41 103.07 92.22 1j3c h GLY 33 Ca -0.26 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.87 1j3c h GLY 33 CO 0.23 0.00 0.99 1.04 0.00 0.00 0.00 176.54 178.79 1j3c n LEU 34 N -3.46 0.64 -4.75 3.11 7.99 -1.22 -4.90 117.00 114.40 1j3c n LEU 34 Ca -0.02 -0.96 -0.30 0.00 -0.01 0.00 0.00 56.01 54.73 1j3c n LEU 34 Cb 0.23 -1.22 0.19 0.00 -0.11 0.00 0.00 43.42 42.51 1j3c n LEU 34 CO 0.28 -1.99 0.73 -0.44 -1.51 0.00 0.00 177.39 174.46 1j3c s SER 35 N 7.24 2.37 0.47 -1.43 0.01 -1.26 -4.53 113.70 116.57 1j3c s SER 35 Ca 1.10 0.63 0.13 0.00 1.31 0.00 0.00 55.95 59.12 1j3c s SER 35 Cb -0.46 -0.92 1.10 0.00 0.21 0.00 0.00 66.02 65.95 1j3c s SER 35 CO 0.29 -3.23 2.10 0.40 0.41 0.00 0.00 173.24 173.22 1j3c h ILE 36 N -1.97 1.03 0.80 1.44 5.03 -1.95 0.91 117.51 122.80 1j3c h ILE 36 Ca -0.47 -0.08 -0.04 0.00 -0.12 0.00 0.00 64.86 64.15 1j3c h ILE 36 Cb 1.29 0.76 0.00 0.00 -3.03 0.00 0.00 36.82 35.85 1j3c h ILE 36 CO 0.44 0.04 -0.42 1.23 -0.68 0.00 0.00 178.15 178.76 1j3c h GLY 37 N 0.24 -1.22 1.50 5.37 0.00 -1.98 0.56 103.07 107.54 1j3c h GLY 37 Ca 0.08 0.47 -0.16 0.00 0.00 0.00 0.00 47.33 47.72 1j3c h GLY 37 CO -0.02 -0.43 -0.56 -1.80 0.00 0.00 0.00 176.54 173.73 1j3c h ASP 38 N -1.13 0.59 0.23 0.19 3.58 -1.85 -2.72 116.42 115.31 1j3c h ASP 38 Ca -0.11 -0.32 -0.05 0.00 0.42 0.00 0.00 57.03 56.98 1j3c h ASP 38 Cb 0.88 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 1j3c h ASP 38 CO 0.16 1.02 -0.23 0.74 -2.88 0.00 0.00 179.24 178.05 1j3c h THR 39 N 0.40 1.15 -0.02 2.25 2.02 0.93 0.90 112.91 120.55 1j3c h THR 39 Ca 0.00 -0.78 -0.24 0.00 0.77 0.00 0.00 66.41 66.16 1j3c h THR 39 Cb 1.10 1.42 0.01 0.00 -1.74 0.00 0.00 68.15 68.95 1j3c h THR 39 CO 0.10 0.22 -0.96 0.00 0.37 0.00 0.00 175.52 175.26 1j3c h ALA 40 N 1.77 0.27 0.00 6.16 0.00 0.34 -3.31 119.26 124.49 1j3c h ALA 40 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1j3c h ALA 40 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1j3c h ALA 40 CO 0.03 0.75 -1.09 0.36 0.00 0.00 0.00 179.25 179.30 1j3c n LYS 41 N -3.81 0.24 -0.05 0.00 2.85 -0.99 -4.09 118.16 112.30 1j3c n LYS 41 Ca -0.08 -0.02 0.10 0.00 -1.05 0.00 0.00 58.31 57.25 1j3c n LYS 41 Cb 0.84 -1.55 0.43 0.00 -0.65 0.00 0.00 35.03 34.09 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 -1.85 1.46 -0.07 -1.58 3.00 0.31 -3.77 118.16 115.65 1j3c n LYS 42 Ca 0.02 -0.69 -0.09 0.00 -0.00 0.00 0.00 58.31 57.56 1j3c n LYS 42 Cb 0.42 -1.35 -0.09 0.00 0.00 0.00 0.00 35.03 34.01 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 -0.09 1.28 0.09 3.14 4.77 -1.25 -4.48 117.00 120.46 1j3c n LEU 43 Ca 0.15 -0.04 0.01 0.00 -0.03 0.00 0.00 56.01 56.10 1j3c n LEU 43 Cb 0.23 -0.07 0.35 0.00 -2.33 0.00 0.00 43.42 41.60 1j3c n LEU 43 CO 0.12 0.53 0.88 1.23 -1.33 0.00 0.00 177.39 178.82 1j3c h GLY 44 N 2.08 0.34 0.19 -0.72 0.00 -1.74 -2.61 103.07 100.60 1j3c h GLY 44 Ca -0.37 -0.21 0.23 0.00 0.00 0.00 0.00 47.33 46.98 1j3c h GLY 44 CO -0.01 0.20 0.63 -2.09 0.00 0.00 0.00 176.54 175.26 1j3c h GLU 45 N 0.29 0.29 0.15 4.80 4.81 -1.79 -1.34 114.58 121.80 1j3c h GLU 45 Ca 0.06 -0.02 -0.34 0.00 -0.13 0.00 0.00 59.36 58.93 1j3c h GLU 45 Cb 0.40 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1j3c h GLU 45 CO 0.02 0.19 -1.76 0.52 -0.73 0.00 0.00 179.01 177.25 1j3c h MET 46 N 0.30 0.31 -0.15 1.92 2.86 -1.75 -3.28 114.93 115.15 1j3c h MET 46 Ca 0.48 -0.53 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1j3c h MET 46 Cb 1.38 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 33.23 1j3c h MET 46 CO -0.15 1.25 0.22 2.35 1.06 0.00 0.00 176.91 181.64 1j3c h TRP 47 N -0.02 0.00 0.12 -0.22 2.91 -1.06 -1.01 115.95 116.67 1j3c h TRP 47 Ca -0.37 0.00 -0.31 0.00 1.13 0.00 0.00 58.89 59.34 1j3c h TRP 47 Cb 1.99 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.63 1j3c h TRP 47 CO 0.10 0.00 -1.60 1.03 -1.03 0.00 0.00 178.44 176.94 1j3c h SER 48 N 0.00 0.38 -0.14 2.65 0.87 -1.43 -3.32 113.55 112.56 1j3c h SER 48 Ca 0.07 -0.57 -0.04 0.00 -1.23 0.00 0.00 61.79 60.02 1j3c h SER 48 Cb 0.52 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1j3c h SER 48 CO -0.00 1.48 -0.00 -0.33 -0.53 0.00 0.00 176.83 177.45 1j3c h GLU 49 N 0.07 0.37 -7.09 2.24 5.08 -1.25 -3.43 114.58 110.56 1j3c h GLU 49 Ca -0.27 -0.06 -0.53 0.00 -1.00 0.00 0.00 59.36 57.50 1j3c h GLU 49 Cb 2.02 -0.06 0.12 0.00 0.50 0.00 0.00 28.75 31.33 1j3c h GLU 49 CO 0.15 0.40 0.48 -0.65 -1.00 0.00 0.00 179.01 178.39 1j3c s GLN 50 N -4.98 2.99 0.00 2.33 -1.52 -0.98 -5.04 119.66 112.46 1j3c s GLN 50 Ca -0.07 1.87 0.00 0.00 -1.95 0.00 0.00 55.36 55.21 1j3c s GLN 50 Cb 0.16 -1.96 0.00 0.00 -0.22 0.00 0.00 33.01 30.99 1j3c s GLN 50 CO 0.74 -1.20 0.00 0.43 -0.25 0.00 0.00 175.29 175.00 1j3c n SER 51 N -1.53 0.14 -3.10 5.90 7.64 -1.26 -4.94 113.62 116.47 1j3c n SER 51 Ca 0.13 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.67 1j3c n SER 51 Cb 0.49 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.64 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 7.33 0.01 -0.43 0.00 -1.26 -3.96 120.51 119.20 1j3c n ALA 52 Ca 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 50.14 1j3c n ALA 52 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.30 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 3.24 0.00 0.19 0.00 4.81 -1.26 -4.70 118.16 120.44 1j3c n LYS 53 Ca 0.72 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 58.20 1j3c n LYS 53 Cb 0.34 -0.09 0.36 0.00 0.02 0.00 0.00 35.03 35.66 1j3c n LYS 53 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1j3c h ASP 54 N 0.00 0.00 0.43 3.14 1.82 -1.96 -3.14 116.42 116.71 1j3c h ASP 54 Ca 0.00 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.33 1j3c h ASP 54 Cb 0.17 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.21 1j3c h ASP 54 CO 0.00 0.39 -1.38 0.50 -1.61 0.00 0.00 179.24 177.14 1j3c h LYS 55 N 0.00 0.42 -0.73 0.28 3.64 -1.89 -3.20 116.57 115.10 1j3c h LYS 55 Ca -0.00 -0.72 0.13 0.00 -1.27 0.00 0.00 60.65 58.78 1j3c h LYS 55 Cb 0.79 0.27 -0.13 0.00 -0.41 0.00 0.00 32.23 32.75 1j3c h LYS 55 CO 0.05 1.35 -0.31 1.96 -2.27 0.00 0.00 179.45 180.23 1j3c h GLN 56 N 0.12 -0.08 0.08 1.90 1.08 -1.82 1.24 115.11 117.63 1j3c h GLN 56 Ca -0.20 0.01 -0.27 0.00 -1.45 0.00 0.00 58.65 56.73 1j3c h GLN 56 Cb 2.09 0.02 0.02 0.00 -0.05 0.00 0.00 27.48 29.55 1j3c h GLN 56 CO 0.25 -0.05 -1.15 -1.00 -0.95 0.00 0.00 178.83 175.93 1j3c h PRO 57 N -0.09 0.48 0.00 1.46 0.13 -1.71 -3.31 132.00 128.96 1j3c h PRO 57 Ca 0.30 -0.62 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1j3c h PRO 57 Cb 0.57 0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1j3c h PRO 57 CO -0.78 1.25 -0.14 0.98 -0.23 0.00 0.00 178.00 179.09 1j3c n TYR 58 N -3.72 0.86 0.11 1.56 9.36 -0.77 -3.69 117.16 120.88 1j3c n TYR 58 Ca -0.10 0.25 0.02 0.00 3.32 0.00 0.00 57.90 61.39 1j3c n TYR 58 Cb 0.94 -0.89 -0.00 0.00 -0.63 0.00 0.00 39.34 38.77 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 0.14 -3.29 114.58 114.42 1j3c h GLU 59 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1j3c h GLU 59 Cb 0.74 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.49 1j3c h GLU 59 CO 0.00 0.43 -0.06 -0.56 -0.00 0.00 0.00 179.01 178.82 1j3c h GLN 60 N 0.00 0.00 -0.13 1.06 3.07 -1.66 -3.05 115.11 114.41 1j3c h GLN 60 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.69 1j3c h GLN 60 Cb 1.42 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.97 1j3c h GLN 60 CO 0.06 0.06 0.05 -0.22 0.09 0.00 0.00 178.83 178.87 1j3c h LYS 61 N 0.00 0.19 0.00 0.06 3.64 -1.70 -2.58 116.57 116.19 1j3c h LYS 61 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1j3c h LYS 61 Cb 1.04 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1j3c h LYS 61 CO 0.01 0.28 -0.08 0.00 -2.27 0.00 0.00 179.45 177.40 1j3c n ALA 62 N -2.21 2.40 0.25 5.00 0.00 -1.25 -3.31 120.51 121.38 1j3c n ALA 62 Ca -0.05 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.40 1j3c n ALA 62 Cb 0.11 -1.43 0.63 0.00 0.00 0.00 0.00 19.45 18.76 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 2.66 1.62 0.00 0.00 0.00 -1.34 -1.46 119.26 120.75 1j3c h ALA 63 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1j3c h ALA 63 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1j3c h ALA 63 CO 0.00 0.15 -0.03 -0.22 0.00 0.00 0.00 179.25 179.14 1j3c h LYS 64 N 0.00 0.00 -0.30 0.00 3.64 -1.55 -3.35 116.57 115.02 1j3c h LYS 64 Ca -0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1j3c h LYS 64 Cb 0.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1j3c h LYS 64 CO 0.02 0.00 0.65 -0.07 -2.27 0.00 0.00 179.45 177.77 1j3c h LEU 65 N -0.39 0.00 -0.30 5.20 4.07 -1.66 0.10 115.31 122.33 1j3c h LEU 65 Ca 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 1j3c h LEU 65 Cb 0.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1j3c h LEU 65 CO 0.00 0.00 0.04 0.50 -1.08 0.00 0.00 178.44 177.90 1j3c h LYS 66 N 0.00 0.51 0.31 1.13 1.63 -1.39 -1.30 116.57 117.46 1j3c h LYS 66 Ca 0.14 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1j3c h LYS 66 Cb 1.44 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 1j3c h LYS 66 CO -0.00 0.62 -0.15 0.93 -3.45 0.00 0.00 179.45 177.40 1j3c h GLU 67 N 0.32 -0.40 -0.36 1.90 5.08 -1.11 -1.36 114.58 118.66 1j3c h GLU 67 Ca 0.09 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.58 1j3c h GLU 67 Cb 0.37 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1j3c h GLU 67 CO 0.01 -0.08 0.26 0.87 -1.00 0.00 0.00 179.01 179.07 1j3c h LYS 68 N -0.75 0.00 0.00 2.33 1.57 -1.58 -0.08 116.57 118.06 1j3c h LYS 68 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1j3c h LYS 68 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1j3c h LYS 68 CO 0.07 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.61 1j3c n TYR 69 N -4.42 0.00 -0.21 -1.35 4.02 -0.49 -1.03 117.16 113.68 1j3c n TYR 69 Ca 0.06 0.00 0.31 0.00 -0.01 0.00 0.00 57.90 58.25 1j3c n TYR 69 Cb 0.44 -0.50 0.73 0.00 -0.02 0.00 0.00 39.34 39.99 1j3c n TYR 69 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1j3c h GLU 70 N 0.00 0.00 0.00 -0.72 4.39 -1.19 0.56 114.58 117.62 1j3c h GLU 70 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1j3c h GLU 70 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1j3c h GLU 70 CO 0.00 0.00 -0.29 -0.22 -1.16 0.00 0.00 179.01 177.34 1j3c h LYS 71 N 0.00 0.00 -0.02 2.33 3.64 -1.11 -3.19 116.57 118.22 1j3c h LYS 71 Ca 0.46 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.80 1j3c h LYS 71 Cb 1.93 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.74 1j3c h LYS 71 CO -0.00 0.20 -0.20 0.22 -2.27 0.00 0.00 179.45 177.40 1j3c h ASP 72 N -1.00 0.03 0.11 4.20 3.58 -0.66 -2.69 116.42 119.99 1j3c h ASP 72 Ca -0.03 -0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.25 1j3c h ASP 72 Cb 0.40 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1j3c h ASP 72 CO -0.02 0.22 -0.58 -0.29 -2.88 0.00 0.00 179.24 175.70 1j3c h ILE 73 N 0.03 1.34 -0.13 2.25 6.09 -0.05 -2.04 117.51 124.99 1j3c h ILE 73 Ca 0.00 -1.86 0.00 0.00 -1.37 0.00 0.00 64.86 61.64 1j3c h ILE 73 Cb 0.36 1.85 -0.01 0.00 0.47 0.00 0.00 36.82 39.49 1j3c h ILE 73 CO 0.03 0.57 0.08 0.00 -3.07 0.00 0.00 178.15 175.76 1j3c h ALA 74 N 1.01 0.17 0.00 0.18 0.00 -1.46 -1.71 119.26 117.44 1j3c h ALA 74 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j3c h ALA 74 Cb 1.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1j3c h ALA 74 CO 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.00 1j3c n ALA 75 N -2.13 2.17 0.03 0.00 0.00 -1.20 -3.25 120.51 116.13 1j3c n ALA 75 Ca -0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.25 1j3c n ALA 75 Cb 0.03 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 17.93 1j3c n ALA 75 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1j3c h TYR 76 N 0.00 0.01 -0.14 0.00 3.20 -0.58 -3.27 116.97 116.20 1j3c h TYR 76 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1j3c h TYR 76 Cb 0.50 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1j3c h TYR 76 CO 0.00 1.01 0.00 0.54 -1.64 0.00 0.00 178.16 178.07 1j3c n ARG 77 N -3.24 1.45 -2.95 1.82 1.74 -0.74 -4.98 116.66 109.75 1j3c n ARG 77 Ca -0.06 -0.69 -0.03 0.00 -0.77 0.00 0.00 57.85 56.31 1j3c n ARG 77 Cb 0.98 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 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 -0.05 -2.82 -0.18 7.54 0.00 -1.23 -5.12 120.51 118.65 1j3c n ALA 78 Ca 0.13 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1j3c n ALA 78 Cb 0.21 -1.05 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 1.17 0.00 0.00 0.00 177.50 178.67