#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 0.00 -3.86 2.12 4.01 -1.26 -4.74 118.16 114.42 1j3c n LYS 2 Ca 0.00 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.51 1j3c n LYS 2 Cb 0.00 0.00 0.03 0.00 -0.51 0.00 0.00 35.03 34.55 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 0.00 -5.77 -0.97 1.97 4.81 -1.26 -4.91 118.16 112.03 1j3c n LYS 3 Ca 0.00 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1j3c n LYS 3 Cb 0.00 -5.51 0.00 0.00 0.02 0.00 0.00 35.03 29.54 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 -4.69 0.00 -4.48 1.64 5.02 -1.26 -5.15 118.16 109.24 1j3c n LYS 4 Ca 0.01 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.07 1j3c n LYS 4 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.45 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 -0.22 3.16 0.49 4.39 1.11 -1.26 -5.03 116.67 119.31 1j3c s ASP 5 Ca 0.00 -1.19 0.30 0.00 0.18 0.00 0.00 52.55 51.84 1j3c s ASP 5 Cb 0.00 -0.24 1.11 0.00 1.07 0.00 0.00 42.92 44.86 1j3c s ASP 5 CO 0.00 -0.28 1.88 1.55 1.18 0.00 0.00 175.17 179.49 1j3c h PRO 6 N 2.17 0.00 0.00 8.23 0.13 -2.03 -3.01 132.00 137.50 1j3c h PRO 6 Ca -0.41 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.51 1j3c h PRO 6 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1j3c h PRO 6 CO 0.68 0.00 -1.00 -0.91 -0.23 0.00 0.00 178.00 176.55 1j3c h ASN 7 N 0.00 0.01 -3.14 1.44 2.35 -2.07 -3.44 115.58 110.72 1j3c h ASN 7 Ca 0.00 -0.01 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 1j3c h ASN 7 Cb 0.59 -0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.90 1j3c h ASN 7 CO 0.00 1.00 -0.18 0.00 -1.65 0.00 0.00 177.43 176.60 1j3c s ALA 8 N -2.73 3.62 -0.81 -0.83 0.00 -1.14 -5.00 121.76 114.87 1j3c s ALA 8 Ca 0.01 -0.20 -0.25 0.00 0.00 0.00 0.00 51.96 51.51 1j3c s ALA 8 Cb 0.10 -2.48 -0.00 0.00 0.00 0.00 0.00 23.12 20.74 1j3c s ALA 8 CO 0.82 0.31 1.67 -1.25 0.00 0.00 0.00 175.76 177.32 1j3c s PRO 9 N -0.50 2.93 0.00 0.00 0.04 -1.26 -4.64 135.00 131.58 1j3c s PRO 9 Ca 0.24 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1j3c s PRO 9 Cb -0.16 -4.75 0.00 0.00 0.04 0.00 0.00 34.50 29.62 1j3c s PRO 9 CO 0.12 -2.68 0.00 0.36 0.04 0.00 0.00 177.00 174.84 1j3c n LYS 10 N 9.07 -1.22 -1.77 4.56 0.00 -1.26 -4.87 118.16 122.66 1j3c n LYS 10 Ca 0.25 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.15 1j3c n LYS 10 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.52 1j3c n LYS 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1j3c s ARG 11 N -2.47 4.10 0.18 -1.58 3.00 -1.26 -4.95 118.95 115.97 1j3c s ARG 11 Ca 0.00 2.60 -0.30 0.00 0.00 0.00 0.00 55.73 58.03 1j3c s ARG 11 Cb 0.00 -2.99 -0.08 0.00 0.00 0.00 0.00 34.95 31.88 1j3c s ARG 11 CO 0.00 -0.61 1.07 -1.25 0.00 0.00 0.00 175.30 174.51 1j3c s PRO 12 N -1.19 4.63 0.00 3.54 0.04 -1.26 -5.05 135.00 135.71 1j3c s PRO 12 Ca 0.59 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1j3c s PRO 12 Cb -0.48 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1j3c s PRO 12 CO 0.55 0.14 0.00 -0.35 0.04 0.00 0.00 177.00 177.38 1j3c n PRO 13 N 2.29 0.01 -2.72 0.56 -0.04 -1.26 -5.07 135.00 128.77 1j3c n PRO 13 Ca 0.02 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.40 1j3c n PRO 13 Cb 0.47 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.02 1j3c n PRO 13 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1j3c n SER 14 N -2.95 -2.20 0.00 3.54 7.64 -1.26 -4.77 113.62 113.62 1j3c n SER 14 Ca 0.00 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.57 1j3c n SER 14 Cb 0.00 1.77 0.00 0.00 -1.01 0.00 0.00 64.21 64.97 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 0.55 0.00 -0.22 -0.43 0.00 -1.26 -4.13 120.51 115.02 1j3c n ALA 15 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1j3c n ALA 15 Cb 0.70 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.67 -0.54 0.00 3.57 -1.97 0.33 116.94 117.66 1j3c h PHE 16 Ca 0.00 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.64 1j3c h PHE 16 Cb 0.00 0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1j3c h PHE 16 CO 0.00 -0.34 0.36 0.35 -2.23 0.00 0.00 178.31 176.45 1j3c h PHE 17 N -0.09 0.46 -0.29 0.41 3.04 -1.96 0.13 116.94 118.63 1j3c h PHE 17 Ca 0.28 0.01 -0.16 0.00 3.98 0.00 0.00 57.97 62.07 1j3c h PHE 17 Cb 0.53 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 1j3c h PHE 17 CO -0.60 0.24 -0.47 -0.07 -2.02 0.00 0.00 178.31 175.39 1j3c h LEU 18 N 0.45 0.83 0.07 0.59 3.38 -0.72 -1.85 115.31 118.06 1j3c h LEU 18 Ca 0.24 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1j3c h LEU 18 Cb 0.36 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1j3c h LEU 18 CO -0.06 1.17 -0.03 0.15 0.09 0.00 0.00 178.44 179.75 1j3c h PHE 19 N 0.61 -0.09 0.10 1.13 3.04 -0.12 -3.04 116.94 118.57 1j3c h PHE 19 Ca 0.03 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.99 1j3c h PHE 19 Cb 1.04 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.56 1j3c h PHE 19 CO 0.06 0.38 -0.18 0.00 -2.02 0.00 0.00 178.31 176.55 1j3c h SER 21 N -0.35 0.00 0.00 0.00 0.87 -1.49 -1.40 113.55 111.18 1j3c h SER 21 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1j3c h SER 21 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1j3c h SER 21 CO -0.10 0.00 -0.78 -0.62 -0.53 0.00 0.00 176.83 174.80 1j3c n GLU 22 N -2.75 2.35 -0.11 2.24 -0.58 -0.43 -4.61 120.64 116.75 1j3c n GLU 22 Ca -0.02 -0.02 -0.13 0.00 -0.42 0.00 0.00 57.16 56.57 1j3c n GLU 22 Cb 0.08 -1.14 -0.14 0.00 -0.57 0.00 0.00 31.44 29.66 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 -1.42 0.00 -0.18 -0.32 4.02 0.15 -4.46 117.16 114.96 1j3c n TYR 23 Ca 0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.87 1j3c n TYR 23 Cb 0.22 -0.98 0.03 0.00 -0.02 0.00 0.00 39.34 38.59 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 0.00 -0.09 0.00 -0.72 3.08 -1.51 0.22 114.38 115.37 1j3c h ARG 24 Ca -0.55 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.50 1j3c h ARG 24 Cb 2.09 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 32.16 1j3c h ARG 24 CO -0.02 -0.06 -0.01 -1.00 -1.07 0.00 0.00 179.97 177.81 1j3c h PRO 25 N -0.09 0.00 -0.16 0.04 0.13 -1.84 -1.29 132.00 128.78 1j3c h PRO 25 Ca 0.25 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.30 1j3c h PRO 25 Cb 0.48 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1j3c h PRO 25 CO -0.60 0.01 -0.20 -0.22 -0.23 0.00 0.00 178.00 176.75 1j3c h LYS 26 N 0.00 0.43 -0.10 0.86 3.11 -0.81 -2.90 116.57 117.15 1j3c h LYS 26 Ca -0.00 -0.24 0.03 0.00 -2.81 0.00 0.00 60.65 57.63 1j3c h LYS 26 Cb 0.03 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.27 1j3c h LYS 26 CO 0.00 0.82 0.08 0.82 -2.81 0.00 0.00 179.45 178.36 1j3c h ILE 27 N 0.06 0.83 -0.06 2.00 1.08 -0.34 -2.05 117.51 119.04 1j3c h ILE 27 Ca 0.02 0.00 -0.17 0.00 -0.39 0.00 0.00 64.86 64.32 1j3c h ILE 27 Cb 0.76 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 1j3c h ILE 27 CO 0.05 0.00 -0.70 0.11 -0.69 0.00 0.00 178.15 176.92 1j3c h LYS 28 N 0.00 0.30 0.00 2.37 1.79 -1.25 0.85 116.57 120.63 1j3c h LYS 28 Ca 0.05 -0.24 -0.03 0.00 -2.18 0.00 0.00 60.65 58.25 1j3c h LYS 28 Cb 0.21 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1j3c h LYS 28 CO -0.00 0.88 -0.14 1.03 -1.08 0.00 0.00 179.45 180.14 1j3c h SER 29 N 0.20 0.00 0.00 0.86 0.87 -1.30 -3.19 113.55 111.00 1j3c h SER 29 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1j3c h SER 29 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1j3c h SER 29 CO 0.11 0.14 -0.64 -0.62 -0.53 0.00 0.00 176.83 175.29 1j3c n GLU 30 N -3.44 3.20 -3.73 2.24 1.02 -1.15 -4.89 120.64 113.90 1j3c n GLU 30 Ca -0.01 -0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.82 1j3c n GLU 30 Cb 0.31 -0.88 -0.14 0.00 -0.02 0.00 0.00 31.44 30.71 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 -1.79 1.90 0.10 -0.32 3.76 0.30 -4.97 115.29 114.27 1j3c s HIS 31 Ca 0.00 -2.13 -0.11 0.00 -0.15 0.00 0.00 55.06 52.68 1j3c s HIS 31 Cb 0.03 -1.82 -0.16 0.00 1.11 0.00 0.00 32.58 31.74 1j3c s HIS 31 CO 0.17 -0.83 1.27 -1.00 -0.85 0.00 0.00 174.74 173.50 1j3c h PRO 32 N 7.36 0.65 0.00 8.40 0.13 -1.80 -3.12 132.00 143.63 1j3c h PRO 32 Ca -0.06 -0.63 -0.03 0.00 -0.87 0.00 0.00 66.00 64.41 1j3c h PRO 32 Cb 0.97 0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1j3c h PRO 32 CO 0.47 1.23 -0.15 0.78 -0.23 0.00 0.00 178.00 180.10 1j3c h GLY 33 N 0.69 0.00 -7.15 1.56 0.00 -1.93 -3.42 103.07 92.81 1j3c h GLY 33 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 1j3c h GLY 33 CO 0.18 0.00 0.68 1.04 0.00 0.00 0.00 176.54 178.43 1j3c n LEU 34 N -3.28 0.35 -4.81 3.11 7.99 -1.18 -4.90 117.00 114.27 1j3c n LEU 34 Ca 0.01 -1.42 -0.29 0.00 -0.01 0.00 0.00 56.01 54.29 1j3c n LEU 34 Cb 0.41 -1.24 0.14 0.00 -0.11 0.00 0.00 43.42 42.63 1j3c n LEU 34 CO 0.32 -2.40 0.75 -0.44 -1.51 0.00 0.00 177.39 174.11 1j3c s SER 35 N 6.14 3.39 0.56 -1.43 0.01 -1.26 -4.58 113.70 116.53 1j3c s SER 35 Ca 0.90 0.78 0.26 0.00 1.31 0.00 0.00 55.95 59.19 1j3c s SER 35 Cb -0.29 -1.22 1.53 0.00 0.21 0.00 0.00 66.02 66.24 1j3c s SER 35 CO 0.22 -2.61 2.09 0.40 0.41 0.00 0.00 173.24 173.75 1j3c h ILE 36 N -1.54 0.63 0.62 1.44 1.08 -1.95 0.48 117.51 118.27 1j3c h ILE 36 Ca -0.48 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 63.96 1j3c h ILE 36 Cb 1.31 0.84 0.01 0.00 -3.07 0.00 0.00 36.82 35.91 1j3c h ILE 36 CO 0.56 0.00 -0.30 1.23 -0.69 0.00 0.00 178.15 178.95 1j3c h GLY 37 N 0.00 -0.88 1.81 5.37 0.00 -1.97 0.21 103.07 107.61 1j3c h GLY 37 Ca 0.11 0.32 -0.17 0.00 0.00 0.00 0.00 47.33 47.60 1j3c h GLY 37 CO -0.00 -0.32 -0.74 -1.80 0.00 0.00 0.00 176.54 173.68 1j3c h ASP 38 N -0.85 0.22 -0.04 0.19 3.58 -1.84 -3.11 116.42 114.58 1j3c h ASP 38 Ca -0.09 -0.15 -0.08 0.00 0.42 0.00 0.00 57.03 57.13 1j3c h ASP 38 Cb 0.64 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1j3c h ASP 38 CO 0.14 0.88 -0.20 0.74 -2.88 0.00 0.00 179.24 177.92 1j3c h THR 39 N 0.12 1.24 -0.05 2.25 2.02 -0.04 0.84 112.91 119.29 1j3c h THR 39 Ca -0.02 -1.12 -0.13 0.00 0.77 0.00 0.00 66.41 65.91 1j3c h THR 39 Cb 1.30 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 1j3c h THR 39 CO 0.11 0.36 -0.55 0.00 0.37 0.00 0.00 175.52 175.81 1j3c h ALA 40 N 1.41 0.98 -0.01 6.16 0.00 -0.53 -3.18 119.26 124.10 1j3c h ALA 40 Ca 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1j3c h ALA 40 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1j3c h ALA 40 CO 0.04 0.69 -0.72 0.36 0.00 0.00 0.00 179.25 179.62 1j3c n LYS 41 N -3.90 1.00 -0.05 0.00 2.85 -0.99 -4.23 118.16 112.84 1j3c n LYS 41 Ca -0.02 -0.35 0.11 0.00 -1.05 0.00 0.00 58.31 57.01 1j3c n LYS 41 Cb 0.57 -1.39 0.45 0.00 -0.65 0.00 0.00 35.03 34.01 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 -0.93 1.54 -0.10 -1.58 3.00 0.29 -3.78 118.16 116.60 1j3c n LYS 42 Ca 0.05 -0.81 -0.12 0.00 -0.00 0.00 0.00 58.31 57.43 1j3c n LYS 42 Cb 0.34 -1.39 -0.13 0.00 0.00 0.00 0.00 35.03 33.86 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 0.03 1.15 0.14 3.14 4.77 -1.24 -4.36 117.00 120.63 1j3c n LEU 43 Ca 0.16 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1j3c n LEU 43 Cb 0.27 -0.04 0.29 0.00 -2.33 0.00 0.00 43.42 41.60 1j3c n LEU 43 CO 0.13 0.62 0.67 1.23 -1.33 0.00 0.00 177.39 178.71 1j3c h GLY 44 N 2.87 0.11 0.70 -0.72 0.00 -1.78 -1.80 103.07 102.44 1j3c h GLY 44 Ca -0.50 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 46.78 1j3c h GLY 44 CO -0.01 0.09 0.25 -2.09 0.00 0.00 0.00 176.54 174.78 1j3c h GLU 45 N 0.09 0.47 0.00 4.80 4.57 -1.76 0.42 114.58 123.17 1j3c h GLU 45 Ca 0.01 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1j3c h GLU 45 Cb 0.76 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1j3c h GLU 45 CO 0.06 0.31 -0.05 0.52 -1.18 0.00 0.00 179.01 178.67 1j3c h MET 46 N 0.49 0.03 -0.11 1.92 2.86 -1.74 -2.78 114.93 115.59 1j3c h MET 46 Ca 0.23 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.87 1j3c h MET 46 Cb 0.15 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 1j3c h MET 46 CO -0.17 0.88 0.28 2.35 1.06 0.00 0.00 176.91 181.31 1j3c h TRP 47 N -0.82 0.00 0.08 -0.22 2.91 -1.21 -0.46 115.95 116.23 1j3c h TRP 47 Ca -0.01 0.00 -0.32 0.00 1.13 0.00 0.00 58.89 59.69 1j3c h TRP 47 Cb 0.90 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.52 1j3c h TRP 47 CO 0.23 0.00 -1.78 0.66 -1.03 0.00 0.00 178.44 176.52 1j3c h SER 48 N 0.00 0.25 -0.38 2.65 4.64 -0.93 -3.34 113.55 116.44 1j3c h SER 48 Ca 0.05 -0.50 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1j3c h SER 48 Cb 0.61 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1j3c h SER 48 CO -0.00 1.44 0.17 -0.33 -0.87 0.00 0.00 176.83 177.24 1j3c h GLU 49 N 0.04 0.62 -7.24 4.77 3.07 -0.80 -3.43 114.58 111.62 1j3c h GLU 49 Ca -0.33 -0.09 -0.52 0.00 -0.50 0.00 0.00 59.36 57.92 1j3c h GLU 49 Cb 2.02 -0.11 0.17 0.00 -0.84 0.00 0.00 28.75 29.98 1j3c h GLU 49 CO 0.10 0.52 0.31 -0.65 -1.40 0.00 0.00 179.01 177.89 1j3c s GLN 50 N -5.28 1.71 -0.26 2.33 -1.52 -0.96 -5.03 119.66 110.65 1j3c s GLN 50 Ca -0.08 1.56 -0.02 0.00 -1.95 0.00 0.00 55.36 54.87 1j3c s GLN 50 Cb 0.16 -1.80 0.13 0.00 -0.22 0.00 0.00 33.01 31.28 1j3c s GLN 50 CO 0.76 -2.12 0.29 -1.12 -0.25 0.00 0.00 175.29 172.85 1j3c s SER 51 N -2.55 1.40 -1.28 5.90 0.01 -1.26 -4.93 113.70 110.99 1j3c s SER 51 Ca 0.69 -0.50 -0.03 0.00 1.31 0.00 0.00 55.95 57.42 1j3c s SER 51 Cb -0.24 0.57 -0.01 0.00 0.21 0.00 0.00 66.02 66.55 1j3c s SER 51 CO 0.52 -0.36 0.68 0.00 0.41 0.00 0.00 173.24 174.49 1j3c n ALA 52 N 5.32 -2.12 0.00 1.44 0.00 -1.26 -4.83 120.51 119.06 1j3c n ALA 52 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1j3c n ALA 52 Cb 0.48 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 -4.21 0.00 -0.09 0.00 3.00 -1.26 -4.83 118.16 110.77 1j3c n LYS 53 Ca -0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.02 1j3c n LYS 53 Cb 0.66 0.00 0.21 0.00 0.00 0.00 0.00 35.03 35.90 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 0.69 -0.39 3.14 3.58 -1.95 -2.49 116.42 119.00 1j3c h ASP 54 Ca 0.00 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.31 1j3c h ASP 54 Cb 0.00 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.87 1j3c h ASP 54 CO 0.00 0.73 0.00 2.29 -2.88 0.00 0.00 179.24 179.38 1j3c n LYS 55 N -4.25 3.54 -0.10 0.28 -0.00 -1.26 -3.88 118.16 112.48 1j3c n LYS 55 Ca 0.03 -2.09 -0.20 0.00 -0.00 0.00 0.00 58.31 56.04 1j3c n LYS 55 Cb 0.26 -1.98 -0.09 0.00 -0.00 0.00 0.00 35.03 33.22 1j3c n LYS 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1j3c n GLN 56 N 0.45 0.55 0.06 -1.58 6.02 -0.94 -3.76 117.38 118.18 1j3c n GLN 56 Ca 0.18 0.50 -0.05 0.00 -0.01 0.00 0.00 57.00 57.62 1j3c n GLN 56 Cb 0.86 -1.68 -0.09 0.00 1.02 0.00 0.00 30.24 30.35 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 -0.03 -1.09 0.13 -1.75 -3.29 132.00 124.97 1j3c h PRO 57 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1j3c h PRO 57 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1j3c h PRO 57 CO -0.21 0.72 0.00 0.98 -0.23 0.00 0.00 178.00 179.26 1j3c n TYR 58 N -3.21 0.04 -0.01 1.56 9.36 -1.25 -3.69 117.16 119.95 1j3c n TYR 58 Ca -0.04 -0.02 0.02 0.00 3.32 0.00 0.00 57.90 61.18 1j3c n TYR 58 Cb 0.91 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 39.50 1j3c n TYR 58 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1j3c n GLU 59 N -0.41 0.65 0.22 2.98 -0.00 -1.24 -4.05 120.64 118.80 1j3c n GLU 59 Ca 0.19 0.01 0.12 0.00 -0.00 0.00 0.00 57.16 57.48 1j3c n GLU 59 Cb 0.20 -1.64 0.34 0.00 -0.00 0.00 0.00 31.44 30.34 1j3c n GLU 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 1j3c h GLN 60 N 0.00 0.00 -0.54 3.44 3.07 -1.72 -3.23 115.11 116.12 1j3c h GLN 60 Ca -0.21 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.54 1j3c h GLN 60 Cb 1.54 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.07 1j3c h GLN 60 CO 0.02 0.11 0.36 -0.22 0.09 0.00 0.00 178.83 179.19 1j3c h LYS 61 N 0.00 0.71 0.00 0.06 3.64 -1.73 -0.50 116.57 118.74 1j3c h LYS 61 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1j3c h LYS 61 Cb 0.88 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1j3c h LYS 61 CO 0.01 0.47 0.00 0.00 -2.27 0.00 0.00 179.45 177.66 1j3c n ALA 62 N -2.25 1.71 1.38 5.00 0.00 -1.22 -2.19 120.51 122.95 1j3c n ALA 62 Ca 0.03 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.52 1j3c n ALA 62 Cb 0.02 -1.26 0.36 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.52 2.53 -0.08 0.00 0.00 -0.20 -3.74 120.51 117.49 1j3c n ALA 63 Ca 0.04 -0.42 -0.09 0.00 0.00 0.00 0.00 53.44 52.96 1j3c n ALA 63 Cb 0.19 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.42 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 0.07 1.25 -0.00 0.00 4.76 -0.93 -4.37 118.16 118.94 1j3c n LYS 64 Ca 0.14 0.03 0.11 0.00 -2.87 0.00 0.00 58.31 55.73 1j3c n LYS 64 Cb 0.25 -1.38 0.68 0.00 -1.84 0.00 0.00 35.03 32.74 1j3c n LYS 64 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j3c n LEU 65 N -2.70 0.01 -0.03 -0.35 4.32 -1.25 -3.31 117.00 113.70 1j3c n LEU 65 Ca -0.27 -0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.71 1j3c n LEU 65 Cb 0.94 -0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.61 1j3c n LEU 65 CO 0.27 0.00 -0.71 1.17 -1.22 0.00 0.00 177.39 176.90 1j3c n LYS 66 N -0.85 0.65 0.08 3.23 4.81 -1.25 -2.97 118.16 121.86 1j3c n LYS 66 Ca 0.17 0.04 0.12 0.00 -0.87 0.00 0.00 58.31 57.78 1j3c n LYS 66 Cb 0.08 -1.64 0.26 0.00 0.02 0.00 0.00 35.03 33.75 1j3c n LYS 66 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1j3c h GLU 67 N 0.00 0.00 0.00 1.64 4.39 -1.79 -3.08 114.58 115.74 1j3c h GLU 67 Ca -0.26 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.16 1j3c h GLU 67 Cb 1.69 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.29 1j3c h GLU 67 CO 0.03 0.00 -2.13 1.63 -1.16 0.00 0.00 179.01 177.38 1j3c n LYS 68 N -2.22 1.14 0.01 2.33 5.02 -1.25 -4.02 118.16 119.18 1j3c n LYS 68 Ca 0.04 -0.03 -0.11 0.00 -2.02 0.00 0.00 58.31 56.20 1j3c n LYS 68 Cb 0.44 -1.44 -0.08 0.00 -0.02 0.00 0.00 35.03 33.93 1j3c n LYS 68 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1j3c h TYR 69 N 0.00 -0.12 0.00 2.13 5.03 -1.65 -1.05 116.97 121.31 1j3c h TYR 69 Ca -0.41 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.90 1j3c h TYR 69 Cb 1.91 0.04 0.00 0.00 1.55 0.00 0.00 36.73 40.23 1j3c h TYR 69 CO 0.00 0.40 0.00 0.39 -1.32 0.00 0.00 178.16 177.63 1j3c n GLU 70 N -4.84 0.02 -0.08 1.82 1.02 -1.16 -0.96 120.64 116.45 1j3c n GLU 70 Ca -0.08 0.27 -0.09 0.00 -0.02 0.00 0.00 57.16 57.24 1j3c n GLU 70 Cb 0.28 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.08 1j3c n GLU 70 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1j3c n LYS 71 N -1.48 1.24 -0.04 3.49 5.02 -1.22 -4.44 118.16 120.74 1j3c n LYS 71 Ca 0.03 0.01 -0.06 0.00 -2.02 0.00 0.00 58.31 56.27 1j3c n LYS 71 Cb 0.15 -1.41 -0.14 0.00 -0.02 0.00 0.00 35.03 33.61 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 -2.68 0.53 0.26 4.39 -0.08 -0.40 -4.14 116.55 114.42 1j3c n ASP 72 Ca -0.28 0.25 0.14 0.00 -1.51 0.00 0.00 54.79 53.39 1j3c n ASP 72 Cb 0.99 0.44 0.64 0.00 2.34 0.00 0.00 41.12 45.53 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 0.28 -0.00 5.18 6.09 -1.23 -1.50 117.51 126.33 1j3c h ILE 73 Ca -0.34 -0.71 -0.00 0.00 -1.37 0.00 0.00 64.86 62.44 1j3c h ILE 73 Cb 1.96 1.56 -0.00 0.00 0.47 0.00 0.00 36.82 40.81 1j3c h ILE 73 CO 0.05 0.10 0.00 0.00 -3.07 0.00 0.00 178.15 175.23 1j3c h ALA 74 N 1.90 0.00 0.00 0.18 0.00 -1.77 -2.97 119.26 116.60 1j3c h ALA 74 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1j3c h ALA 74 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1j3c h ALA 74 CO 0.01 -0.36 -0.31 0.00 0.00 0.00 0.00 179.25 178.59 1j3c h ALA 75 N 0.74 0.84 0.00 0.00 0.00 -1.76 -3.06 119.26 116.02 1j3c h ALA 75 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1j3c h ALA 75 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1j3c h ALA 75 CO 0.00 0.00 -0.26 -0.92 0.00 0.00 0.00 179.25 178.07 1j3c h TYR 76 N 0.00 0.00 0.00 0.00 3.20 -1.19 -3.38 116.97 115.60 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 0.98 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.25 1j3c h TYR 76 CO 0.00 0.26 0.00 0.54 -1.64 0.00 0.00 178.16 177.32 1j3c n ARG 77 N -3.73 0.00 -2.55 1.82 1.74 -1.13 -5.00 116.66 107.81 1j3c n ARG 77 Ca -0.01 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.03 1j3c n ARG 77 Cb 0.36 -0.31 0.03 0.00 -1.02 0.00 0.00 32.46 31.52 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 -0.91 -1.15 1.45 7.54 0.00 -1.25 -5.15 120.51 121.04 1j3c n ALA 78 Ca 0.00 -0.62 0.14 0.00 0.00 0.00 0.00 53.44 52.95 1j3c n ALA 78 Cb 0.00 -0.95 0.48 0.00 0.00 0.00 0.00 19.45 18.98 1j3c n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13