#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 2.52 0.33 3.17 4.01 -1.26 -4.68 118.16 122.24 1j3c n LYS 2 Ca 0.00 -2.95 -0.17 0.00 -0.51 0.00 0.00 58.31 54.68 1j3c n LYS 2 Cb 0.00 -2.15 -0.09 0.00 -0.51 0.00 0.00 35.03 32.28 1j3c n LYS 2 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1j3c h LYS 3 N 2.07 -0.81 0.00 1.97 3.64 -2.06 -3.47 116.57 117.91 1j3c h LYS 3 Ca 0.53 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 1j3c h LYS 3 Cb 0.72 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1j3c h LYS 3 CO 1.39 -0.54 0.00 1.63 -2.27 0.00 0.00 179.45 179.66 1j3c n LYS 4 N -5.46 0.00 -1.69 1.90 5.02 -1.26 -5.14 118.16 111.52 1j3c n LYS 4 Ca -0.13 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.77 1j3c n LYS 4 Cb 0.36 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.39 1j3c n LYS 4 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1j3c n ASP 5 N -1.31 2.20 0.19 4.39 8.00 -1.26 -4.89 116.55 123.87 1j3c n ASP 5 Ca 0.00 1.01 0.06 0.00 0.71 0.00 0.00 54.79 56.57 1j3c n ASP 5 Cb 0.00 -1.50 0.30 0.00 -0.02 0.00 0.00 41.12 39.90 1j3c n ASP 5 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1j3c h PRO 6 N 1.56 0.00 0.00 -0.24 0.13 -2.00 -3.02 132.00 128.42 1j3c h PRO 6 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1j3c h PRO 6 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1j3c h PRO 6 CO 0.57 0.36 0.00 -0.97 -0.23 0.00 0.00 178.00 177.74 1j3c h ASN 7 N 0.00 0.00 -3.24 1.44 -1.24 -2.06 -3.44 115.58 107.04 1j3c h ASN 7 Ca -0.00 0.00 -0.65 0.00 0.71 0.00 0.00 56.30 56.36 1j3c h ASN 7 Cb 0.97 0.00 -0.16 0.00 0.73 0.00 0.00 38.32 39.86 1j3c h ASN 7 CO 0.05 0.00 -0.59 0.00 -1.29 0.00 0.00 177.43 175.59 1j3c s ALA 8 N -3.17 3.34 -0.29 1.57 0.00 -1.14 -5.06 121.76 117.01 1j3c s ALA 8 Ca 0.09 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 1j3c s ALA 8 Cb 0.09 -1.71 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 1j3c s ALA 8 CO 0.61 0.36 1.48 -1.25 0.00 0.00 0.00 175.76 176.97 1j3c s PRO 9 N -0.17 3.76 0.00 0.00 0.04 -1.26 -4.71 135.00 132.66 1j3c s PRO 9 Ca 0.06 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1j3c s PRO 9 Cb -0.12 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1j3c s PRO 9 CO 0.02 -1.33 0.00 0.36 0.04 0.00 0.00 177.00 176.09 1j3c n LYS 10 N 7.68 0.94 -1.66 4.56 2.85 -1.26 -4.87 118.16 126.40 1j3c n LYS 10 Ca 0.17 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.06 1j3c n LYS 10 Cb 0.46 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.90 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 -0.07 1.04 -2.50 -1.58 1.74 -1.26 -4.91 116.66 109.11 1j3c n ARG 11 Ca 0.00 0.40 -0.42 0.00 -0.77 0.00 0.00 57.85 57.06 1j3c n ARG 11 Cb 0.00 -2.32 -0.03 0.00 -1.02 0.00 0.00 32.46 29.09 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 -2.96 4.34 0.92 5.56 0.04 -1.26 -5.03 135.00 136.62 1j3c s PRO 12 Ca 0.78 1.61 -0.14 0.00 0.04 0.00 0.00 61.00 63.28 1j3c s PRO 12 Cb -0.41 -3.58 0.18 0.00 0.04 0.00 0.00 34.50 30.73 1j3c s PRO 12 CO 0.45 -0.47 1.27 -1.25 0.04 0.00 0.00 177.00 177.05 1j3c s PRO 13 N 2.38 0.89 -0.40 0.56 0.04 -1.26 -5.04 135.00 132.17 1j3c s PRO 13 Ca 0.54 -0.42 0.05 0.00 0.04 0.00 0.00 61.00 61.21 1j3c s PRO 13 Cb -0.23 -1.91 0.32 0.00 0.04 0.00 0.00 34.50 32.73 1j3c s PRO 13 CO 0.20 -2.23 1.25 0.45 0.04 0.00 0.00 177.00 176.71 1j3c n SER 14 N -3.62 -1.83 0.00 6.66 2.88 -1.26 -4.76 113.62 111.69 1j3c n SER 14 Ca 0.14 -2.85 0.00 0.00 -1.33 0.00 0.00 58.87 54.83 1j3c n SER 14 Cb 0.60 1.57 0.00 0.00 -0.75 0.00 0.00 64.21 65.63 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 0.43 0.00 -0.18 -1.46 0.00 -1.26 -4.25 120.51 113.79 1j3c n ALA 15 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1j3c n ALA 15 Cb 0.73 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.35 -0.92 0.00 3.57 -1.96 0.11 116.94 117.39 1j3c h PHE 16 Ca 0.00 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1j3c h PHE 16 Cb 0.00 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 1j3c h PHE 16 CO 0.00 -0.25 0.60 0.74 -2.23 0.00 0.00 178.31 177.16 1j3c h PHE 17 N -0.03 1.12 -0.31 0.41 0.04 -1.95 0.86 116.94 117.09 1j3c h PHE 17 Ca 0.26 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.05 1j3c h PHE 17 Cb 0.42 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1j3c h PHE 17 CO -0.47 0.66 0.17 -0.07 -0.60 0.00 0.00 178.31 177.99 1j3c h LEU 18 N 1.17 0.38 0.03 1.54 3.38 -1.21 0.50 115.31 121.11 1j3c h LEU 18 Ca 0.36 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1j3c h LEU 18 Cb -0.02 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1j3c h LEU 18 CO -0.11 0.36 -0.01 0.15 0.09 0.00 0.00 178.44 178.92 1j3c h PHE 19 N 0.38 -0.04 0.00 1.13 3.04 -0.42 -2.85 116.94 118.18 1j3c h PHE 19 Ca 0.11 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.00 1j3c h PHE 19 Cb 0.07 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 1j3c h PHE 19 CO -0.03 0.26 -0.26 0.00 -2.02 0.00 0.00 178.31 176.26 1j3c h SER 21 N 0.00 0.00 0.00 0.00 0.02 0.21 -2.35 113.55 111.43 1j3c h SER 21 Ca -0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1j3c h SER 21 Cb 0.49 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1j3c h SER 21 CO 0.03 0.14 -1.64 -1.84 -1.14 0.00 0.00 176.83 172.39 1j3c n GLU 22 N -3.45 1.92 0.11 3.45 0.28 -0.86 -4.65 120.64 117.43 1j3c n GLU 22 Ca -0.01 -0.03 -0.20 0.00 -0.16 0.00 0.00 57.16 56.77 1j3c n GLU 22 Cb 0.31 -1.25 -0.15 0.00 1.43 0.00 0.00 31.44 31.78 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 0.66 -0.48 -1.84 0.05 -0.76 -3.34 116.97 111.26 1j3c h TYR 23 Ca -0.21 -0.49 0.10 0.00 0.05 0.00 0.00 58.73 58.18 1j3c h TYR 23 Cb 1.36 -0.03 -0.10 0.00 1.01 0.00 0.00 36.73 38.98 1j3c h TYR 23 CO 0.00 1.44 -0.21 0.00 -1.05 0.00 0.00 178.16 178.34 1j3c h ARG 24 N 0.10 -0.10 -0.02 4.88 3.08 -1.62 0.36 114.38 121.06 1j3c h ARG 24 Ca -0.22 0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.84 1j3c h ARG 24 Cb 2.06 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 32.13 1j3c h ARG 24 CO 0.21 -0.07 0.02 -1.00 -1.07 0.00 0.00 179.97 178.07 1j3c h PRO 25 N -0.10 0.00 -0.05 0.04 0.13 -1.82 -0.72 132.00 129.48 1j3c h PRO 25 Ca 0.23 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.32 1j3c h PRO 25 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1j3c h PRO 25 CO -0.55 0.00 -0.12 -0.22 -0.23 0.00 0.00 178.00 176.88 1j3c h LYS 26 N 0.00 0.17 -0.67 0.86 3.11 -0.53 -3.07 116.57 116.42 1j3c h LYS 26 Ca 0.01 -0.11 0.14 0.00 -2.81 0.00 0.00 60.65 57.88 1j3c h LYS 26 Cb 0.05 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.26 1j3c h LYS 26 CO -0.00 0.71 0.46 0.82 -2.81 0.00 0.00 179.45 178.63 1j3c h ILE 27 N -0.36 0.79 -0.06 2.00 1.08 0.63 -0.76 117.51 120.83 1j3c h ILE 27 Ca -0.00 -0.10 -0.09 0.00 -0.39 0.00 0.00 64.86 64.27 1j3c h ILE 27 Cb 0.72 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 1j3c h ILE 27 CO 0.03 0.06 -0.39 0.11 -0.69 0.00 0.00 178.15 177.26 1j3c h LYS 28 N 0.30 0.13 0.00 2.37 1.79 -1.21 0.91 116.57 120.86 1j3c h LYS 28 Ca 0.33 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1j3c h LYS 28 Cb 0.85 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1j3c h LYS 28 CO -0.08 0.50 -0.19 1.03 -1.08 0.00 0.00 179.45 179.63 1j3c h SER 29 N 0.11 0.00 0.00 0.86 0.87 -1.14 -3.35 113.55 110.90 1j3c h SER 29 Ca 0.01 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1j3c h SER 29 Cb 0.74 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1j3c h SER 29 CO 0.06 0.01 -0.86 -0.62 -0.53 0.00 0.00 176.83 174.89 1j3c n GLU 30 N -2.69 2.19 -3.88 2.24 -0.58 -1.04 -4.87 120.64 112.02 1j3c n GLU 30 Ca 0.04 -0.03 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 1j3c n GLU 30 Cb 0.49 -0.99 -0.13 0.00 -0.57 0.00 0.00 31.44 30.25 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 -2.05 3.34 0.00 -0.32 3.76 0.31 -4.98 115.29 115.36 1j3c s HIS 31 Ca -0.00 -2.97 0.00 0.00 -0.15 0.00 0.00 55.06 51.93 1j3c s HIS 31 Cb 0.04 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 30.75 1j3c s HIS 31 CO 0.24 -0.81 0.12 -0.35 -0.85 0.00 0.00 174.74 173.08 1j3c n PRO 32 N 3.44 0.00 0.29 8.40 -0.04 -1.26 -3.95 135.00 141.88 1j3c n PRO 32 Ca 0.05 0.41 0.18 0.00 -0.04 0.00 0.00 63.50 64.11 1j3c n PRO 32 Cb 0.36 -0.98 0.94 0.00 -0.04 0.00 0.00 33.50 33.78 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 -7.28 0.55 0.00 -1.98 -3.40 103.07 90.97 1j3c h GLY 33 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 1j3c h GLY 33 CO 0.00 0.00 0.96 -0.10 0.00 0.00 0.00 176.54 177.40 1j3c n LEU 34 N -3.25 0.99 -4.27 3.11 0.00 -1.25 -4.90 117.00 107.43 1j3c n LEU 34 Ca -0.01 -0.93 -0.28 0.00 0.00 0.00 0.00 56.01 54.79 1j3c n LEU 34 Cb 0.28 -1.32 0.26 0.00 0.00 0.00 0.00 43.42 42.64 1j3c n LEU 34 CO 0.20 -1.98 0.25 -1.20 0.00 0.00 0.00 177.39 174.66 1j3c n SER 35 N 14.36 -3.14 0.31 1.96 7.64 -1.26 -4.56 113.62 128.93 1j3c n SER 35 Ca 0.52 -0.53 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 1j3c n SER 35 Cb 0.35 -1.04 -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 -3.09 0.00 -1.03 0.44 1.08 -1.96 -1.51 117.51 111.43 1j3c h ILE 36 Ca -0.47 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.26 1j3c h ILE 36 Cb 1.26 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.90 1j3c h ILE 36 CO 0.33 0.00 0.64 1.23 -0.69 0.00 0.00 178.15 179.65 1j3c h GLY 37 N -0.96 1.56 1.40 5.37 0.00 -2.01 0.58 103.07 109.01 1j3c h GLY 37 Ca -0.07 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 1j3c h GLY 37 CO 0.01 -0.20 -0.04 -0.55 0.00 0.00 0.00 176.54 175.76 1j3c h ASP 38 N 0.48 0.70 -0.59 0.19 3.32 -1.75 -2.09 116.42 116.68 1j3c h ASP 38 Ca 0.63 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.49 1j3c h ASP 38 Cb 1.39 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 1j3c h ASP 38 CO -0.39 0.79 0.35 0.74 -1.72 0.00 0.00 179.24 179.01 1j3c h THR 39 N 0.68 1.18 0.00 0.35 2.02 0.12 0.48 112.91 117.73 1j3c h THR 39 Ca 0.13 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1j3c h THR 39 Cb 0.47 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1j3c h THR 39 CO 0.02 0.19 -0.04 0.00 0.37 0.00 0.00 175.52 176.07 1j3c h ALA 40 N 1.54 0.00 0.00 6.16 0.00 -1.15 -2.89 119.26 122.93 1j3c h ALA 40 Ca 0.22 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1j3c h ALA 40 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1j3c h ALA 40 CO -0.04 -0.07 0.00 0.36 0.00 0.00 0.00 179.25 179.50 1j3c n LYS 41 N -4.68 0.16 -0.06 0.00 2.85 -0.82 -3.38 118.16 112.24 1j3c n LYS 41 Ca -0.09 0.27 -0.03 0.00 -1.05 0.00 0.00 58.31 57.41 1j3c n LYS 41 Cb 0.41 -1.75 -0.01 0.00 -0.65 0.00 0.00 35.03 33.03 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 0.00 -1.00 -1.58 1.63 -0.08 -3.34 116.57 112.19 1j3c h LYS 42 Ca 0.00 0.00 0.29 0.00 -0.85 0.00 0.00 60.65 60.09 1j3c h LYS 42 Cb 0.49 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.08 1j3c h LYS 42 CO 0.00 0.03 0.76 -0.07 -3.45 0.00 0.00 179.45 176.72 1j3c h LEU 43 N -1.00 0.00 -0.93 5.20 3.38 -1.61 0.28 115.31 120.64 1j3c h LEU 43 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1j3c h LEU 43 Cb 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1j3c h LEU 43 CO -0.00 0.00 0.25 1.23 0.09 0.00 0.00 178.44 180.01 1j3c h GLY 44 N 0.00 1.11 0.09 0.83 0.00 -1.69 -2.43 103.07 100.98 1j3c h GLY 44 Ca 0.48 -0.61 0.25 0.00 0.00 0.00 0.00 47.33 47.45 1j3c h GLY 44 CO -0.01 0.57 0.65 -2.09 0.00 0.00 0.00 176.54 175.67 1j3c h GLU 45 N 1.00 0.27 0.15 4.80 4.57 -0.55 -1.64 114.58 123.19 1j3c h GLU 45 Ca 0.23 -0.02 -0.33 0.00 -1.18 0.00 0.00 59.36 58.06 1j3c h GLU 45 Cb 0.23 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1j3c h GLU 45 CO -0.02 0.18 -1.69 0.52 -1.18 0.00 0.00 179.01 176.82 1j3c h MET 46 N 0.28 0.32 -0.05 1.92 2.86 -1.56 -3.24 114.93 115.45 1j3c h MET 46 Ca 0.51 -0.54 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1j3c h MET 46 Cb 1.48 0.20 -0.00 0.00 0.06 0.00 0.00 31.60 33.34 1j3c h MET 46 CO -0.16 1.26 0.23 2.35 1.06 0.00 0.00 176.91 181.65 1j3c h TRP 47 N -0.04 0.00 0.03 -0.22 2.91 -0.89 -1.13 115.95 116.61 1j3c h TRP 47 Ca -0.35 0.00 -0.33 0.00 1.13 0.00 0.00 58.89 59.34 1j3c h TRP 47 Cb 1.97 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 30.57 1j3c h TRP 47 CO 0.10 0.00 -1.98 0.45 -1.03 0.00 0.00 178.44 175.98 1j3c n SER 48 N -3.13 1.13 -0.10 2.65 2.88 -0.97 -4.18 113.62 111.91 1j3c n SER 48 Ca -0.01 0.23 -0.02 0.00 -1.33 0.00 0.00 58.87 57.75 1j3c n SER 48 Cb 0.31 -0.10 0.23 0.00 -0.75 0.00 0.00 64.21 63.90 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 0.02 0.76 -7.12 -1.46 4.39 -1.24 -3.43 114.58 106.50 1j3c h GLU 49 Ca -0.40 -0.14 -0.54 0.00 0.34 0.00 0.00 59.36 58.62 1j3c h GLU 49 Cb 2.05 -0.12 0.14 0.00 -0.10 0.00 0.00 28.75 30.72 1j3c h GLU 49 CO 0.06 0.68 0.48 1.14 -1.16 0.00 0.00 179.01 180.20 1j3c s GLN 50 N -5.23 2.65 0.00 2.33 -2.07 -0.99 -5.04 119.66 111.31 1j3c s GLN 50 Ca -0.09 1.92 0.00 0.00 -1.82 0.00 0.00 55.36 55.37 1j3c s GLN 50 Cb 0.16 -1.88 0.00 0.00 -1.09 0.00 0.00 33.01 30.20 1j3c s GLN 50 CO 0.79 -1.48 0.00 -1.13 -1.32 0.00 0.00 175.29 172.14 1j3c n SER 51 N -1.91 0.00 -2.93 12.60 3.41 -1.26 -4.92 113.62 118.60 1j3c n SER 51 Ca 0.15 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.44 1j3c n SER 51 Cb 0.49 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.38 1j3c n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j3c n ALA 52 N -3.00 7.05 0.00 7.33 0.00 -1.26 -3.94 120.51 126.70 1j3c n ALA 52 Ca 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 53.44 50.30 1j3c n ALA 52 Cb 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 16.55 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 2.77 0.00 0.17 0.00 5.02 -1.26 -4.71 118.16 120.14 1j3c n LYS 53 Ca 0.64 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.97 1j3c n LYS 53 Cb 0.44 -0.32 0.45 0.00 -0.02 0.00 0.00 35.03 35.57 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 0.13 -0.66 4.39 3.58 -1.95 -2.25 116.42 119.66 1j3c h ASP 54 Ca 0.00 -0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.29 1j3c h ASP 54 Cb 0.25 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.19 1j3c h ASP 54 CO 0.00 0.28 0.17 1.17 -2.88 0.00 0.00 179.24 177.98 1j3c n LYS 55 N -4.31 4.06 -0.08 0.28 4.81 -1.26 -4.23 118.16 117.43 1j3c n LYS 55 Ca -0.01 -2.99 -0.06 0.00 -0.87 0.00 0.00 58.31 54.37 1j3c n LYS 55 Cb 0.24 -2.21 -0.02 0.00 0.02 0.00 0.00 35.03 33.06 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 0.14 0.48 0.11 1.64 6.02 -0.85 -3.76 117.38 121.16 1j3c n GLN 56 Ca 0.35 0.42 -0.01 0.00 -0.01 0.00 0.00 57.00 57.75 1j3c n GLN 56 Cb 1.29 -1.61 -0.01 0.00 1.02 0.00 0.00 30.24 30.93 1j3c n GLN 56 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1j3c h PRO 57 N -1.00 0.00 0.00 -1.09 0.13 -1.80 -3.31 132.00 124.94 1j3c h PRO 57 Ca -0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.09 1j3c h PRO 57 Cb 0.69 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 1j3c h PRO 57 CO -0.01 0.70 -0.54 -0.92 -0.23 0.00 0.00 178.00 177.00 1j3c h TYR 58 N 0.00 0.00 0.00 1.56 3.20 -1.81 -3.32 116.97 116.60 1j3c h TYR 58 Ca -0.01 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1j3c h TYR 58 Cb 1.51 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.77 1j3c h TYR 58 CO 0.00 0.11 -0.34 1.05 -1.64 0.00 0.00 178.16 177.34 1j3c h GLU 59 N 0.00 0.00 0.00 1.82 -0.00 -1.65 -2.74 114.58 112.01 1j3c h GLU 59 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1j3c h GLU 59 Cb 1.10 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.85 1j3c h GLU 59 CO 0.01 0.34 -0.00 -0.56 -0.00 0.00 0.00 179.01 178.80 1j3c h GLN 60 N 0.00 0.00 -0.27 1.06 3.07 -1.72 -3.17 115.11 114.07 1j3c h GLN 60 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 1j3c h GLN 60 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.29 1j3c h GLN 60 CO 0.04 0.00 0.08 -0.22 0.09 0.00 0.00 178.83 178.83 1j3c h LYS 61 N 0.00 0.42 0.00 0.06 3.64 -1.64 -2.41 116.57 116.64 1j3c h LYS 61 Ca -0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1j3c h LYS 61 Cb 0.91 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1j3c h LYS 61 CO 0.00 0.49 0.00 0.00 -2.27 0.00 0.00 179.45 177.67 1j3c n ALA 62 N -2.29 2.14 1.55 5.00 0.00 -1.24 -2.81 120.51 122.86 1j3c n ALA 62 Ca -0.03 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.53 1j3c n ALA 62 Cb 0.16 -1.44 0.77 0.00 0.00 0.00 0.00 19.45 18.95 1j3c n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j3c n ALA 63 N -1.69 2.47 -0.04 0.00 0.00 -0.91 -2.52 120.51 117.82 1j3c n ALA 63 Ca 0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.34 1j3c n ALA 63 Cb 0.35 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.22 1j3c n ALA 63 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j3c n LYS 64 N -1.15 1.06 0.07 0.00 4.76 -1.12 -4.37 118.16 117.41 1j3c n LYS 64 Ca 0.17 -0.07 0.12 0.00 -2.87 0.00 0.00 58.31 55.66 1j3c n LYS 64 Cb 0.16 -1.38 0.12 0.00 -1.84 0.00 0.00 35.03 32.09 1j3c n LYS 64 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1j3c h LEU 65 N 0.00 0.00 -0.26 -0.35 4.07 -1.64 -3.33 115.31 113.80 1j3c h LEU 65 Ca -0.22 -0.17 -0.21 0.00 0.08 0.00 0.00 57.88 57.37 1j3c h LEU 65 Cb 1.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.11 1j3c h LEU 65 CO 0.01 0.08 -0.84 0.50 -1.08 0.00 0.00 178.44 177.11 1j3c h LYS 66 N 0.00 0.45 0.49 1.13 1.63 -1.69 -2.46 116.57 116.12 1j3c h LYS 66 Ca 0.00 -0.42 -0.02 0.00 -0.85 0.00 0.00 60.65 59.36 1j3c h LYS 66 Cb 0.81 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 1j3c h LYS 66 CO 0.00 1.07 -0.23 0.93 -3.45 0.00 0.00 179.45 177.76 1j3c h GLU 67 N 0.28 -0.63 -0.12 1.90 5.08 -1.76 -1.64 114.58 117.69 1j3c h GLU 67 Ca -0.06 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1j3c h GLU 67 Cb 1.45 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 1j3c h GLU 67 CO 0.15 -0.33 0.11 0.87 -1.00 0.00 0.00 179.01 178.81 1j3c h LYS 68 N -1.02 0.00 0.06 2.33 6.56 -1.67 -0.29 116.57 122.54 1j3c h LYS 68 Ca -0.07 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1j3c h LYS 68 Cb 0.59 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 1j3c h LYS 68 CO 0.11 0.00 -0.03 -0.92 -2.06 0.00 0.00 179.45 176.55 1j3c h TYR 69 N 0.00 -0.07 -0.05 -1.35 3.20 -1.30 -0.31 116.97 117.09 1j3c h TYR 69 Ca 0.05 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1j3c h TYR 69 Cb 0.28 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1j3c h TYR 69 CO 0.00 -0.04 0.24 0.93 -1.64 0.00 0.00 178.16 177.65 1j3c h GLU 70 N -0.20 0.00 0.00 1.82 5.08 -1.22 0.72 114.58 120.79 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 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1j3c h GLU 70 CO 0.01 0.00 -1.48 1.63 -1.00 0.00 0.00 179.01 178.18 1j3c n LYS 71 N -3.11 0.58 -0.05 2.33 5.02 -0.13 -4.15 118.16 118.64 1j3c n LYS 71 Ca -0.01 -0.05 -0.06 0.00 -2.02 0.00 0.00 58.31 56.17 1j3c n LYS 71 Cb 0.32 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.60 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 -2.37 2.53 0.07 4.39 -0.08 -0.13 -4.55 116.55 116.42 1j3c n ASP 72 Ca -0.02 -0.01 -0.01 0.00 -1.51 0.00 0.00 54.79 53.24 1j3c n ASP 72 Cb 0.54 0.57 0.26 0.00 2.34 0.00 0.00 41.12 44.83 1j3c n ASP 72 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1j3c h ILE 73 N 0.00 1.26 -0.61 5.18 6.09 0.20 -0.36 117.51 129.27 1j3c h ILE 73 Ca -0.29 -1.22 0.03 0.00 -1.37 0.00 0.00 64.86 62.01 1j3c h ILE 73 Cb 1.61 1.42 -0.03 0.00 0.47 0.00 0.00 36.82 40.29 1j3c h ILE 73 CO 0.00 0.38 0.40 0.00 -3.07 0.00 0.00 178.15 175.86 1j3c h ALA 74 N 1.43 1.64 0.00 0.18 0.00 -1.73 -1.37 119.26 119.41 1j3c h ALA 74 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j3c h ALA 74 Cb 0.64 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1j3c h ALA 74 CO 0.05 0.30 -1.16 0.00 0.00 0.00 0.00 179.25 178.43 1j3c n ALA 75 N -2.45 2.57 -0.03 0.00 0.00 -1.02 -1.69 120.51 117.89 1j3c n ALA 75 Ca 0.07 -0.28 -0.17 0.00 0.00 0.00 0.00 53.44 53.07 1j3c n ALA 75 Cb 0.11 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 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 0.97 -0.33 0.00 3.20 -0.22 -3.17 116.97 117.42 1j3c h TYR 76 Ca 0.00 -0.42 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1j3c h TYR 76 Cb 1.00 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1j3c h TYR 76 CO 0.00 1.23 0.00 0.54 -1.64 0.00 0.00 178.16 178.29 1j3c n ARG 77 N -4.04 2.10 -3.24 1.82 1.74 -0.60 -4.98 116.66 109.47 1j3c n ARG 77 Ca -0.07 -1.68 -0.08 0.00 -0.77 0.00 0.00 57.85 55.25 1j3c n ARG 77 Cb 0.69 -1.43 0.01 0.00 -1.02 0.00 0.00 32.46 30.70 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 0.88 -2.55 -1.27 7.54 0.00 -1.20 -5.09 120.51 118.83 1j3c n ALA 78 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1j3c n ALA 78 Cb 0.45 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1j3c n ALA 78 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86