#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3c s LYS 2 N 0.00 1.99 0.00 2.12 1.02 -1.26 -4.97 119.74 118.64 1j3c s LYS 2 Ca 0.00 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.56 1j3c s LYS 2 Cb 0.00 -2.18 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 1j3c s LYS 2 CO 0.00 -1.35 0.00 1.17 -0.92 0.00 0.00 175.35 174.25 1j3c n LYS 3 N -2.95 0.00 0.00 1.68 4.81 -1.26 -5.04 118.16 115.40 1j3c n LYS 3 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1j3c n LYS 3 Cb 0.60 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.65 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 -0.53 0.00 -3.58 1.64 4.76 -1.26 -4.93 118.16 114.26 1j3c n LYS 4 Ca 0.00 0.68 -0.07 0.00 -2.87 0.00 0.00 58.31 56.05 1j3c n LYS 4 Cb 0.00 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 31.74 1j3c n LYS 4 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1j3c s ASP 5 N -2.52 -0.24 0.23 4.39 2.15 -1.26 -5.01 116.67 114.41 1j3c s ASP 5 Ca 0.00 0.14 0.06 0.00 0.43 0.00 0.00 52.55 53.18 1j3c s ASP 5 Cb 0.00 0.22 0.20 0.00 -0.30 0.00 0.00 42.92 43.04 1j3c s ASP 5 CO 0.00 -0.30 1.52 1.55 -0.17 0.00 0.00 175.17 177.77 1j3c h PRO 6 N 2.19 0.15 0.00 4.34 0.13 -2.03 -3.07 132.00 133.72 1j3c h PRO 6 Ca -0.14 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1j3c h PRO 6 Cb 1.18 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1j3c h PRO 6 CO 0.27 0.78 0.00 -0.91 -0.23 0.00 0.00 178.00 177.91 1j3c h ASN 7 N 0.11 0.00 -3.24 1.44 4.21 -2.03 -3.41 115.58 112.66 1j3c h ASN 7 Ca -0.01 0.00 -0.74 0.00 1.21 0.00 0.00 56.30 56.75 1j3c h ASN 7 Cb 1.22 0.00 -0.23 0.00 -1.12 0.00 0.00 38.32 38.19 1j3c h ASN 7 CO 0.10 0.00 -0.30 0.00 -1.29 0.00 0.00 177.43 175.94 1j3c s ALA 8 N -3.22 3.58 -0.47 -0.83 0.00 -1.16 -4.96 121.76 114.70 1j3c s ALA 8 Ca 0.07 -2.25 -0.06 0.00 0.00 0.00 0.00 51.96 49.72 1j3c s ALA 8 Cb 0.07 -3.12 -0.18 0.00 0.00 0.00 0.00 23.12 19.90 1j3c s ALA 8 CO 0.64 -1.82 2.97 -0.35 0.00 0.00 0.00 175.76 177.20 1j3c n PRO 9 N 5.21 2.18 -1.36 0.00 -0.04 -1.26 -4.51 135.00 135.21 1j3c n PRO 9 Ca -0.13 -1.22 -0.30 0.00 -0.04 0.00 0.00 63.50 61.82 1j3c n PRO 9 Cb 0.42 -2.18 0.11 0.00 -0.04 0.00 0.00 33.50 31.82 1j3c n PRO 9 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1j3c s LYS 10 N 1.76 1.74 -0.12 0.54 2.47 -1.26 -4.57 119.74 120.31 1j3c s LYS 10 Ca 0.57 0.79 -0.03 0.00 -1.56 0.00 0.00 55.97 55.75 1j3c s LYS 10 Cb 0.23 -1.87 0.01 0.00 -1.46 0.00 0.00 37.83 34.74 1j3c s LYS 10 CO -0.02 -1.90 0.06 0.54 0.16 0.00 0.00 175.35 174.19 1j3c n ARG 11 N -3.64 -2.29 -2.42 4.03 3.00 -1.26 -4.88 116.66 109.20 1j3c n ARG 11 Ca 0.07 1.98 -0.41 0.00 -0.01 0.00 0.00 57.85 59.49 1j3c n ARG 11 Cb 0.55 -2.91 -0.04 0.00 0.00 0.00 0.00 32.46 30.07 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 -0.82 4.54 0.77 5.56 0.04 -1.26 -5.03 135.00 138.81 1j3c s PRO 12 Ca -0.07 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 1j3c s PRO 12 Cb 0.00 -3.23 0.06 0.00 0.04 0.00 0.00 34.50 31.37 1j3c s PRO 12 CO 0.37 0.01 1.15 -1.25 0.04 0.00 0.00 177.00 177.32 1j3c s PRO 13 N -0.59 2.30 -0.47 0.56 0.04 -1.26 -5.03 135.00 130.55 1j3c s PRO 13 Ca 0.50 0.25 0.06 0.00 0.04 0.00 0.00 61.00 61.84 1j3c s PRO 13 Cb -0.32 -1.98 0.27 0.00 0.04 0.00 0.00 34.50 32.51 1j3c s PRO 13 CO 0.38 -1.39 1.00 -1.13 0.04 0.00 0.00 177.00 175.90 1j3c n SER 14 N -3.20 -2.59 0.00 6.66 3.41 -1.26 -4.75 113.62 111.89 1j3c n SER 14 Ca 0.08 -3.32 0.00 0.00 -0.26 0.00 0.00 58.87 55.36 1j3c n SER 14 Cb 0.60 1.79 0.00 0.00 -0.26 0.00 0.00 64.21 66.34 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 1.18 0.00 -0.30 7.33 0.00 -1.25 -3.93 120.51 123.55 1j3c n ALA 15 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.60 1j3c n ALA 15 Cb 0.66 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.35 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 0.73 0.00 0.00 3.57 -1.96 0.46 116.94 119.73 1j3c h PHE 16 Ca 0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1j3c h PHE 16 Cb 0.00 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 1j3c h PHE 16 CO 0.00 0.12 -0.10 0.35 -2.23 0.00 0.00 178.31 176.45 1j3c h PHE 17 N 0.56 0.00 0.18 0.41 3.04 -1.94 -1.66 116.94 117.53 1j3c h PHE 17 Ca 0.49 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 62.09 1j3c h PHE 17 Cb 0.75 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.27 1j3c h PHE 17 CO -0.10 0.10 -1.68 -0.07 -2.02 0.00 0.00 178.31 174.54 1j3c h LEU 18 N 0.00 0.60 0.02 0.59 3.38 -0.47 -2.90 115.31 116.54 1j3c h LEU 18 Ca -0.00 -0.85 -0.00 0.00 0.09 0.00 0.00 57.88 57.12 1j3c h LEU 18 Cb 0.28 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1j3c h LEU 18 CO 0.01 1.71 -0.01 0.15 0.09 0.00 0.00 178.44 180.39 1j3c h PHE 19 N 0.10 -0.03 -0.22 1.13 3.04 -0.83 -2.31 116.94 117.82 1j3c h PHE 19 Ca -0.31 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.56 1j3c h PHE 19 Cb 2.09 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 40.60 1j3c h PHE 19 CO 0.10 0.43 -0.19 0.00 -2.02 0.00 0.00 178.31 176.63 1j3c n SER 21 N -4.19 0.34 0.00 0.00 2.88 -1.09 -3.74 113.62 107.82 1j3c n SER 21 Ca -0.00 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.33 1j3c n SER 21 Cb 0.34 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1j3c n SER 21 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1j3c n GLU 22 N -0.69 -0.07 -0.03 -1.46 -0.58 -0.87 -4.82 120.64 112.11 1j3c n GLU 22 Ca 0.21 -0.27 -0.02 0.00 -0.42 0.00 0.00 57.16 56.65 1j3c n GLU 22 Cb 0.15 -0.65 -0.07 0.00 -0.57 0.00 0.00 31.44 30.30 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 -0.03 0.00 -0.14 -0.32 4.02 -0.33 -4.64 117.16 115.72 1j3c n TYR 23 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.84 1j3c n TYR 23 Cb 0.22 -0.39 0.01 0.00 -0.02 0.00 0.00 39.34 39.17 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 -0.12 -0.06 -0.72 3.08 -1.79 0.82 114.38 115.59 1j3c h ARG 24 Ca -0.18 0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.90 1j3c h ARG 24 Cb 1.24 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 1j3c h ARG 24 CO 0.01 -0.08 0.04 -1.00 -1.07 0.00 0.00 179.97 177.87 1j3c h PRO 25 N -0.13 0.00 -0.30 0.04 0.13 -1.91 -0.82 132.00 129.01 1j3c h PRO 25 Ca 0.21 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.26 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 -0.53 0.00 -0.14 -0.22 -0.23 0.00 0.00 178.00 176.88 1j3c h LYS 26 N 0.00 0.63 -0.03 0.86 3.11 -1.14 -2.75 116.57 117.25 1j3c h LYS 26 Ca 0.03 -0.27 -0.01 0.00 -2.81 0.00 0.00 60.65 57.58 1j3c h LYS 26 Cb 0.11 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.32 1j3c h LYS 26 CO -0.00 0.85 -0.03 0.82 -2.81 0.00 0.00 179.45 178.28 1j3c h ILE 27 N 0.39 1.04 -0.14 2.00 1.08 -0.21 -2.67 117.51 119.00 1j3c h ILE 27 Ca 0.07 -0.18 -0.21 0.00 -0.39 0.00 0.00 64.86 64.15 1j3c h ILE 27 Cb 0.66 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 1j3c h ILE 27 CO 0.04 0.05 -0.73 0.11 -0.69 0.00 0.00 178.15 176.94 1j3c h LYS 28 N 0.04 0.67 -0.21 2.37 1.79 -1.14 0.95 116.57 121.04 1j3c h LYS 28 Ca 0.01 -0.53 0.06 0.00 -2.18 0.00 0.00 60.65 58.01 1j3c h LYS 28 Cb 0.08 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1j3c h LYS 28 CO 0.00 1.15 0.20 1.03 -1.08 0.00 0.00 179.45 180.75 1j3c h SER 29 N 0.47 0.00 0.00 0.86 0.87 -1.30 -2.91 113.55 111.53 1j3c h SER 29 Ca -0.04 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 1j3c h SER 29 Cb 1.34 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 1j3c h SER 29 CO 0.14 0.00 -1.30 -0.62 -0.53 0.00 0.00 176.83 174.52 1j3c n GLU 30 N -3.99 1.56 -3.97 2.24 -0.58 -1.17 -4.89 120.64 109.83 1j3c n GLU 30 Ca 0.02 -0.03 -0.31 0.00 -0.42 0.00 0.00 57.16 56.43 1j3c n GLU 30 Cb 0.33 -1.13 -0.15 0.00 -0.57 0.00 0.00 31.44 29.92 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 -2.27 3.42 0.06 -0.32 3.76 0.33 -4.95 115.29 115.32 1j3c s HIS 31 Ca -0.02 -3.02 -0.16 0.00 -0.15 0.00 0.00 55.06 51.71 1j3c s HIS 31 Cb 0.03 -2.82 -0.21 0.00 1.11 0.00 0.00 32.58 30.69 1j3c s HIS 31 CO 0.22 -0.86 1.20 -1.00 -0.85 0.00 0.00 174.74 173.45 1j3c h PRO 32 N 7.15 0.63 0.00 8.40 0.13 -1.79 -3.12 132.00 143.40 1j3c h PRO 32 Ca -0.06 -0.62 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1j3c h PRO 32 Cb 0.96 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1j3c h PRO 32 CO 0.59 1.23 0.00 0.78 -0.23 0.00 0.00 178.00 180.36 1j3c h GLY 33 N 0.27 0.00 -7.17 1.56 0.00 -1.92 -3.41 103.07 92.40 1j3c h GLY 33 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1j3c h GLY 33 CO 0.16 0.00 0.27 1.04 0.00 0.00 0.00 176.54 178.01 1j3c n LEU 34 N -3.08 0.98 -4.72 3.11 7.99 -1.18 -4.91 117.00 115.19 1j3c n LEU 34 Ca 0.00 -1.81 -0.30 0.00 -0.01 0.00 0.00 56.01 53.89 1j3c n LEU 34 Cb 0.28 -1.50 0.20 0.00 -0.11 0.00 0.00 43.42 42.29 1j3c n LEU 34 CO 0.26 -2.88 0.70 -0.94 -1.51 0.00 0.00 177.39 173.02 1j3c s SER 35 N 8.01 2.06 0.46 -1.43 1.04 -1.26 -4.47 113.70 118.10 1j3c s SER 35 Ca 0.84 0.64 0.16 0.00 0.48 0.00 0.00 55.95 58.07 1j3c s SER 35 Cb -0.15 -0.93 1.12 0.00 0.10 0.00 0.00 66.02 66.16 1j3c s SER 35 CO 0.16 -3.42 2.00 0.40 0.98 0.00 0.00 173.24 173.36 1j3c h ILE 36 N -2.10 0.87 0.43 -1.02 1.08 -1.95 0.67 117.51 115.49 1j3c h ILE 36 Ca -0.47 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 63.88 1j3c h ILE 36 Cb 1.29 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.59 1j3c h ILE 36 CO 0.42 0.05 -0.24 1.23 -0.69 0.00 0.00 178.15 178.92 1j3c h GLY 37 N 0.29 -0.76 1.42 5.37 0.00 -1.97 0.41 103.07 107.83 1j3c h GLY 37 Ca 0.25 0.30 -0.12 0.00 0.00 0.00 0.00 47.33 47.76 1j3c h GLY 37 CO -0.06 -0.27 -0.30 -0.55 0.00 0.00 0.00 176.54 175.37 1j3c h ASP 38 N -0.62 0.68 0.17 0.19 3.32 -1.84 -2.59 116.42 115.73 1j3c h ASP 38 Ca -0.06 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 1j3c h ASP 38 Cb 0.49 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1j3c h ASP 38 CO 0.07 0.94 -0.16 0.74 -1.72 0.00 0.00 179.24 179.11 1j3c h THR 39 N 0.56 1.11 -0.01 0.35 2.02 0.41 0.82 112.91 118.18 1j3c h THR 39 Ca 0.07 -0.56 -0.14 0.00 0.77 0.00 0.00 66.41 66.55 1j3c h THR 39 Cb 0.79 1.30 0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1j3c h THR 39 CO 0.06 0.16 -0.53 0.00 0.37 0.00 0.00 175.52 175.59 1j3c h ALA 40 N 1.84 0.07 0.00 6.16 0.00 0.15 -3.30 119.26 124.18 1j3c h ALA 40 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1j3c h ALA 40 Cb 0.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1j3c h ALA 40 CO 0.02 0.30 -0.40 0.36 0.00 0.00 0.00 179.25 179.53 1j3c n LYS 41 N -4.28 0.10 -0.10 0.00 2.85 -1.00 -3.67 118.16 112.07 1j3c n LYS 41 Ca -0.10 0.04 0.08 0.00 -1.05 0.00 0.00 58.31 57.28 1j3c n LYS 41 Cb 0.64 -1.58 0.29 0.00 -0.65 0.00 0.00 35.03 33.73 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 -1.73 1.63 -0.08 -1.58 3.00 0.28 -3.70 118.16 115.98 1j3c n LYS 42 Ca 0.05 -0.96 -0.05 0.00 -0.00 0.00 0.00 58.31 57.36 1j3c n LYS 42 Cb 0.37 -1.31 -0.15 0.00 0.00 0.00 0.00 35.03 33.94 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 0.22 0.00 0.19 3.14 4.77 -1.24 -4.25 117.00 119.82 1j3c n LEU 43 Ca 0.13 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 1j3c n LEU 43 Cb 0.26 0.37 0.38 0.00 -2.33 0.00 0.00 43.42 42.10 1j3c n LEU 43 CO 0.10 0.37 0.72 1.23 -1.33 0.00 0.00 177.39 178.47 1j3c h GLY 44 N 3.78 0.00 0.76 -0.72 0.00 -1.75 -1.93 103.07 103.21 1j3c h GLY 44 Ca -0.40 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1j3c h GLY 44 CO 0.02 0.00 -0.26 -2.09 0.00 0.00 0.00 176.54 174.21 1j3c h GLU 45 N 0.00 -0.57 0.14 4.80 4.81 -1.74 0.40 114.58 122.42 1j3c h GLU 45 Ca -0.00 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1j3c h GLU 45 Cb 0.73 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1j3c h GLU 45 CO 0.05 -0.38 -0.07 0.52 -0.73 0.00 0.00 179.01 178.40 1j3c h MET 46 N -0.59 -0.18 -0.02 1.92 2.86 -1.76 -1.65 114.93 115.51 1j3c h MET 46 Ca -0.02 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1j3c h MET 46 Cb 0.52 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.16 1j3c h MET 46 CO -0.02 0.21 -0.45 2.35 1.06 0.00 0.00 176.91 180.05 1j3c h TRP 47 N -0.61 -1.30 -0.47 -0.22 2.91 -1.29 -0.79 115.95 114.18 1j3c h TRP 47 Ca -0.02 0.04 0.02 0.00 1.13 0.00 0.00 58.89 60.07 1j3c h TRP 47 Cb 0.47 0.57 -0.03 0.00 -0.51 0.00 0.00 29.16 29.66 1j3c h TRP 47 CO 0.06 -0.52 0.31 1.03 -1.03 0.00 0.00 178.44 178.29 1j3c h SER 48 N -0.59 0.47 -0.82 2.65 0.87 -0.26 -1.93 113.55 113.93 1j3c h SER 48 Ca 0.04 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1j3c h SER 48 Cb 0.67 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 1j3c h SER 48 CO -0.34 0.33 0.44 -0.33 -0.53 0.00 0.00 176.83 176.40 1j3c h GLU 49 N 0.55 1.15 -7.20 2.24 5.08 -0.18 -3.43 114.58 112.79 1j3c h GLU 49 Ca 0.19 -0.14 -0.54 0.00 -1.00 0.00 0.00 59.36 57.87 1j3c h GLU 49 Cb 0.06 -0.22 0.18 0.00 0.50 0.00 0.00 28.75 29.27 1j3c h GLU 49 CO -0.05 0.86 0.35 1.04 -1.00 0.00 0.00 179.01 180.21 1j3c n GLN 50 N -4.39 0.24 0.00 2.33 1.13 -0.53 -5.04 117.38 111.13 1j3c n GLN 50 Ca 0.08 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 1j3c n GLN 50 Cb 0.10 -2.45 0.00 0.00 0.11 0.00 0.00 30.24 28.00 1j3c n GLN 50 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1j3c n SER 51 N -3.22 0.14 -3.14 1.08 7.64 -1.26 -4.94 113.62 109.92 1j3c n SER 51 Ca 0.14 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.66 1j3c n SER 51 Cb 0.50 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.65 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 7.43 0.04 -0.43 0.00 -1.26 -3.92 120.51 119.38 1j3c n ALA 52 Ca 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.13 1j3c n ALA 52 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.21 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 3.44 0.00 0.28 0.00 4.81 -1.26 -4.73 118.16 120.70 1j3c n LYS 53 Ca 0.74 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 58.31 1j3c n LYS 53 Cb 0.32 -0.00 0.79 0.00 0.02 0.00 0.00 35.03 36.16 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 0.62 3.14 1.82 -1.95 -2.44 116.42 117.60 1j3c h ASP 54 Ca 0.00 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.36 1j3c h ASP 54 Cb 0.00 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.01 1j3c h ASP 54 CO 0.00 0.07 -1.31 0.11 -1.61 0.00 0.00 179.24 176.49 1j3c h LYS 55 N 0.00 0.23 -0.71 0.28 1.57 -1.89 -3.16 116.57 112.89 1j3c h LYS 55 Ca -0.00 -0.39 0.13 0.00 -1.87 0.00 0.00 60.65 58.52 1j3c h LYS 55 Cb 0.18 0.14 -0.13 0.00 0.08 0.00 0.00 32.23 32.50 1j3c h LYS 55 CO 0.01 1.14 -0.29 1.96 -0.57 0.00 0.00 179.45 181.70 1j3c h GLN 56 N 0.06 -0.08 0.15 3.15 1.08 -1.72 1.00 115.11 118.74 1j3c h GLN 56 Ca -0.16 0.01 -0.30 0.00 -1.45 0.00 0.00 58.65 56.75 1j3c h GLN 56 Cb 1.96 0.02 0.02 0.00 -0.05 0.00 0.00 27.48 29.43 1j3c h GLN 56 CO 0.18 -0.05 -1.28 -1.00 -0.95 0.00 0.00 178.83 175.73 1j3c h PRO 57 N -0.08 0.49 -0.06 1.46 0.13 -1.71 -3.28 132.00 128.95 1j3c h PRO 57 Ca 0.30 -0.73 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1j3c h PRO 57 Cb 0.56 0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1j3c h PRO 57 CO -0.76 1.33 0.00 0.98 -0.23 0.00 0.00 178.00 179.32 1j3c n TYR 58 N -3.70 0.08 -0.03 1.56 9.36 -0.66 -3.59 117.16 120.17 1j3c n TYR 58 Ca -0.12 -0.04 0.05 0.00 3.32 0.00 0.00 57.90 61.10 1j3c n TYR 58 Cb 1.01 0.00 -0.16 0.00 -0.63 0.00 0.00 39.34 39.56 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 -0.40 0.67 0.14 2.98 -0.00 0.34 -3.85 120.64 120.52 1j3c n GLU 59 Ca 0.13 -0.12 0.02 0.00 -0.00 0.00 0.00 57.16 57.19 1j3c n GLU 59 Cb 0.14 -1.54 0.10 0.00 -0.00 0.00 0.00 31.44 30.14 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 -0.79 3.44 3.07 -1.69 -3.26 115.11 115.89 1j3c h GLN 60 Ca -0.16 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.59 1j3c h GLN 60 Cb 1.38 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.90 1j3c h GLN 60 CO 0.01 0.54 0.52 -0.22 0.09 0.00 0.00 178.83 179.77 1j3c h LYS 61 N 0.00 1.01 0.00 0.06 3.64 -1.74 -0.25 116.57 119.28 1j3c h LYS 61 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1j3c h LYS 61 Cb 1.29 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1j3c h LYS 61 CO 0.07 0.67 0.00 0.00 -2.27 0.00 0.00 179.45 177.92 1j3c n ALA 62 N -2.32 1.63 1.52 5.00 0.00 -1.23 -2.13 120.51 122.99 1j3c n ALA 62 Ca 0.08 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.60 1j3c n ALA 62 Cb 0.04 -1.26 0.41 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.56 2.55 -0.08 0.00 0.00 -0.11 -3.48 120.51 117.82 1j3c n ALA 63 Ca 0.03 -0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 1j3c n ALA 63 Cb 0.17 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.11 1.08 0.00 0.00 4.76 -0.90 -4.36 118.16 118.62 1j3c n LYS 64 Ca 0.14 0.05 0.15 0.00 -2.87 0.00 0.00 58.31 55.78 1j3c n LYS 64 Cb 0.21 -1.37 0.78 0.00 -1.84 0.00 0.00 35.03 32.81 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 -2.77 0.30 0.06 -0.35 4.32 -1.24 -3.44 117.00 113.87 1j3c n LEU 65 Ca -0.28 -0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.57 1j3c n LEU 65 Cb 0.91 -0.10 -0.14 0.00 -1.62 0.00 0.00 43.42 42.47 1j3c n LEU 65 CO 0.25 0.05 -0.21 0.50 -1.22 0.00 0.00 177.39 176.76 1j3c h LYS 66 N 0.43 0.18 0.52 3.23 1.63 -1.76 -2.90 116.57 117.90 1j3c h LYS 66 Ca 0.00 -0.31 -0.03 0.00 -0.85 0.00 0.00 60.65 59.47 1j3c h LYS 66 Cb 0.21 0.12 0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1j3c h LYS 66 CO 0.00 1.05 -0.25 0.93 -3.45 0.00 0.00 179.45 177.73 1j3c h GLU 67 N 0.05 -0.67 0.00 1.90 5.08 -1.79 -2.18 114.58 116.97 1j3c h GLU 67 Ca -0.18 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1j3c h GLU 67 Cb 1.96 0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.36 1j3c h GLU 67 CO 0.16 -0.45 0.05 0.87 -1.00 0.00 0.00 179.01 178.64 1j3c h LYS 68 N -1.02 0.00 0.07 2.33 1.57 -1.73 0.47 116.57 118.27 1j3c h LYS 68 Ca -0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1j3c h LYS 68 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1j3c h LYS 68 CO 0.12 0.00 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.04 1j3c h TYR 69 N 0.00 -0.09 0.00 -1.35 3.20 -1.38 -1.29 116.97 116.06 1j3c h TYR 69 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1j3c h TYR 69 Cb 0.11 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1j3c h TYR 69 CO 0.00 -0.06 0.00 0.39 -1.64 0.00 0.00 178.16 176.85 1j3c n GLU 70 N -4.74 0.75 -0.04 1.82 1.02 -0.83 -2.52 120.64 116.09 1j3c n GLU 70 Ca -0.01 0.01 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1j3c n GLU 70 Cb 0.04 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.91 1j3c n GLU 70 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1j3c n LYS 71 N -1.05 0.85 0.01 3.49 4.81 0.14 -4.66 118.16 121.75 1j3c n LYS 71 Ca 0.19 0.04 -0.10 0.00 -0.87 0.00 0.00 58.31 57.57 1j3c n LYS 71 Cb 0.11 -1.18 -0.14 0.00 0.02 0.00 0.00 35.03 33.84 1j3c n LYS 71 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1j3c h ASP 72 N 0.00 0.07 0.46 3.14 3.58 -1.31 -3.33 116.42 119.02 1j3c h ASP 72 Ca -0.20 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1j3c h ASP 72 Cb 1.34 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.37 1j3c h ASP 72 CO -0.02 1.10 0.00 -0.29 -2.88 0.00 0.00 179.24 177.15 1j3c h ILE 73 N 0.01 0.00 -0.08 2.25 6.09 -1.59 0.22 117.51 124.41 1j3c h ILE 73 Ca -0.22 -0.19 -0.02 0.00 -1.37 0.00 0.00 64.86 63.06 1j3c h ILE 73 Cb 1.95 1.00 -0.00 0.00 0.47 0.00 0.00 36.82 40.24 1j3c h ILE 73 CO 0.10 0.00 -0.04 0.00 -3.07 0.00 0.00 178.15 175.14 1j3c h ALA 74 N 2.07 0.11 0.00 0.18 0.00 -1.81 -3.01 119.26 116.80 1j3c h ALA 74 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1j3c h ALA 74 Cb 0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1j3c h ALA 74 CO 0.00 -0.12 -1.18 0.00 0.00 0.00 0.00 179.25 177.95 1j3c h ALA 75 N 0.62 0.64 -0.12 0.00 0.00 -1.72 -3.34 119.26 115.34 1j3c h ALA 75 Ca 0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 1j3c h ALA 75 Cb 0.50 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1j3c h ALA 75 CO 0.01 0.72 -0.02 -0.92 0.00 0.00 0.00 179.25 179.05 1j3c h TYR 76 N 0.00 0.17 0.00 0.00 5.03 -0.99 -3.28 116.97 117.90 1j3c h TYR 76 Ca -0.11 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.19 1j3c h TYR 76 Cb 1.46 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.69 1j3c h TYR 76 CO 0.00 0.20 0.00 0.54 -1.32 0.00 0.00 178.16 177.58 1j3c n ARG 77 N -4.41 0.00 -2.53 1.82 1.74 -1.14 -5.03 116.66 107.11 1j3c n ARG 77 Ca -0.01 0.31 -0.03 0.00 -0.77 0.00 0.00 57.85 57.35 1j3c n ARG 77 Cb 0.16 -1.03 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 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 -1.43 -2.79 -0.83 7.54 0.00 -1.24 -5.15 120.51 116.61 1j3c n ALA 78 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 53.44 54.94 1j3c n ALA 78 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.28 1j3c n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13