#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 2.65 -0.39 2.12 1.02 -1.26 -5.08 119.74 118.80 1j3c s LYS 2 Ca 0.00 -1.42 0.03 0.00 0.02 0.00 0.00 55.97 54.60 1j3c s LYS 2 Cb 0.00 -2.56 0.30 0.00 -0.52 0.00 0.00 37.83 35.05 1j3c s LYS 2 CO 0.00 -0.28 1.21 1.17 -0.92 0.00 0.00 175.35 176.53 1j3c n LYS 3 N -1.74 0.46 -0.23 1.68 4.81 -1.26 -5.16 118.16 116.73 1j3c n LYS 3 Ca 0.06 -1.17 0.00 0.00 -0.87 0.00 0.00 58.31 56.33 1j3c n LYS 3 Cb 0.61 -0.60 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1j3c n LYS 3 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1j3c n LYS 4 N 0.89 0.54 -1.46 1.64 2.85 -1.26 -5.00 118.16 116.37 1j3c n LYS 4 Ca 0.01 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.89 1j3c n LYS 4 Cb 0.71 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 35.12 1j3c n LYS 4 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1j3c n ASP 5 N -2.40 -1.10 0.10 -5.58 8.00 -1.26 -4.89 116.55 109.41 1j3c n ASP 5 Ca 0.00 0.75 -0.04 0.00 0.71 0.00 0.00 54.79 56.21 1j3c n ASP 5 Cb 0.00 -1.16 0.03 0.00 -0.02 0.00 0.00 41.12 39.97 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 0.30 0.02 -0.20 -0.24 0.13 -2.06 -3.28 132.00 126.66 1j3c h PRO 6 Ca -0.45 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1j3c h PRO 6 Cb 1.40 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.50 1j3c h PRO 6 CO 0.47 0.81 -0.09 -1.71 -0.23 0.00 0.00 178.00 177.25 1j3c n ASN 7 N -3.60 2.77 -4.22 1.44 5.15 -1.26 -4.90 115.26 110.64 1j3c n ASN 7 Ca -0.01 -3.42 -0.42 0.00 -0.60 0.00 0.00 54.58 50.13 1j3c n ASN 7 Cb 0.77 -0.55 -0.06 0.00 -0.53 0.00 0.00 39.78 39.41 1j3c n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1j3c s ALA 8 N -3.04 3.83 -1.17 5.20 0.00 -1.24 -5.00 121.76 120.35 1j3c s ALA 8 Ca 0.40 -3.25 -0.22 0.00 0.00 0.00 0.00 51.96 48.89 1j3c s ALA 8 Cb 0.35 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 1j3c s ALA 8 CO 0.02 -2.18 1.88 -1.25 0.00 0.00 0.00 175.76 174.23 1j3c s PRO 9 N 0.13 2.82 0.00 0.00 0.04 -1.26 -4.82 135.00 131.91 1j3c s PRO 9 Ca 0.17 -1.22 0.00 0.00 0.04 0.00 0.00 61.00 59.99 1j3c s PRO 9 Cb -0.16 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1j3c s PRO 9 CO -0.06 -3.54 0.00 1.17 0.04 0.00 0.00 177.00 174.61 1j3c n LYS 10 N 8.39 1.27 -1.58 4.56 3.00 -1.26 -4.82 118.16 127.72 1j3c n LYS 10 Ca 0.45 0.00 -0.45 0.00 -0.00 0.00 0.00 58.31 58.31 1j3c n LYS 10 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.48 1j3c n LYS 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1j3c n ARG 11 N 0.00 1.27 -2.55 1.64 3.00 -1.26 -4.89 116.66 113.87 1j3c n ARG 11 Ca 0.00 0.44 -0.42 0.00 -0.01 0.00 0.00 57.85 57.86 1j3c n ARG 11 Cb 0.00 -1.80 -0.03 0.00 0.00 0.00 0.00 32.46 30.63 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 -1.54 4.46 0.95 5.56 0.04 -1.26 -5.04 135.00 138.16 1j3c s PRO 12 Ca 0.59 1.60 -0.14 0.00 0.04 0.00 0.00 61.00 63.10 1j3c s PRO 12 Cb -0.71 -3.44 0.21 0.00 0.04 0.00 0.00 34.50 30.60 1j3c s PRO 12 CO 0.60 -0.23 1.29 -1.25 0.04 0.00 0.00 177.00 177.45 1j3c s PRO 13 N 1.35 0.60 -0.45 0.56 0.04 -1.26 -5.06 135.00 130.78 1j3c s PRO 13 Ca 0.55 -0.63 0.05 0.00 0.04 0.00 0.00 61.00 61.01 1j3c s PRO 13 Cb -0.25 -1.92 0.28 0.00 0.04 0.00 0.00 34.50 32.66 1j3c s PRO 13 CO 0.26 -2.39 1.06 0.43 0.04 0.00 0.00 177.00 176.41 1j3c n SER 14 N -3.68 -2.39 0.00 6.66 7.64 -1.26 -4.76 113.62 115.84 1j3c n SER 14 Ca 0.17 -3.18 0.00 0.00 1.01 0.00 0.00 58.87 56.86 1j3c n SER 14 Cb 0.59 1.70 0.00 0.00 -1.01 0.00 0.00 64.21 65.50 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 1.04 0.00 -0.28 -0.43 0.00 -1.25 -3.98 120.51 115.60 1j3c n ALA 15 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.56 1j3c n ALA 15 Cb 0.68 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.34 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 -0.02 0.00 3.04 -1.96 0.32 116.94 118.98 1j3c h PHE 16 Ca 0.00 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 1j3c h PHE 16 Cb 0.00 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 1j3c h PHE 16 CO 0.00 0.13 -0.18 0.35 -2.02 0.00 0.00 178.31 176.59 1j3c h PHE 17 N 0.55 0.03 -0.02 0.41 3.04 -1.94 -0.99 116.94 118.01 1j3c h PHE 17 Ca 0.45 -0.00 -0.16 0.00 3.98 0.00 0.00 57.97 62.24 1j3c h PHE 17 Cb 0.66 -0.01 0.01 0.00 2.56 0.00 0.00 35.95 39.17 1j3c h PHE 17 CO -0.12 0.21 -0.59 -0.07 -2.02 0.00 0.00 178.31 175.72 1j3c h LEU 18 N 0.03 0.56 -0.11 0.59 3.38 -0.76 -1.66 115.31 117.33 1j3c h LEU 18 Ca 0.00 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.23 1j3c h LEU 18 Cb 0.33 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1j3c h LEU 18 CO 0.02 1.22 0.01 0.15 0.09 0.00 0.00 178.44 179.93 1j3c h PHE 19 N -0.04 0.21 0.00 1.13 3.04 -0.79 -1.39 116.94 119.09 1j3c h PHE 19 Ca -0.07 -0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.79 1j3c h PHE 19 Cb 1.28 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.73 1j3c h PHE 19 CO 0.14 0.40 -0.28 0.00 -2.02 0.00 0.00 178.31 176.55 1j3c n SER 21 N -4.13 1.95 0.00 0.00 2.88 -0.63 -4.16 113.62 109.53 1j3c n SER 21 Ca -0.02 -1.86 0.00 0.00 -1.33 0.00 0.00 58.87 55.66 1j3c n SER 21 Cb 0.34 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 0.53 -0.04 -0.27 -1.46 -0.58 -0.55 -4.49 120.64 113.78 1j3c n GLU 22 Ca 0.15 -0.07 0.08 0.00 -0.42 0.00 0.00 57.16 56.89 1j3c n GLU 22 Cb 0.34 -0.53 0.13 0.00 -0.57 0.00 0.00 31.44 30.81 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 -0.00 0.00 -0.02 -0.32 4.01 -0.44 -4.78 117.16 115.60 1j3c n TYR 23 Ca 0.00 -0.93 -0.20 0.00 -0.16 0.00 0.00 57.90 56.61 1j3c n TYR 23 Cb 0.25 -0.15 -0.13 0.00 -0.31 0.00 0.00 39.34 39.00 1j3c n TYR 23 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1j3c h ARG 24 N 0.21 0.16 0.00 -0.72 3.08 -1.81 -3.32 114.38 111.98 1j3c h ARG 24 Ca -0.01 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1j3c h ARG 24 Cb 1.09 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1j3c h ARG 24 CO 0.00 1.13 0.00 -1.00 -1.07 0.00 0.00 179.97 179.04 1j3c h PRO 25 N -0.55 0.00 0.03 0.04 0.13 -1.95 -2.68 132.00 127.01 1j3c h PRO 25 Ca -0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1j3c h PRO 25 Cb 1.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.68 1j3c h PRO 25 CO 0.00 0.00 -0.01 -0.22 -0.23 0.00 0.00 178.00 177.54 1j3c h LYS 26 N 0.00 -0.04 -0.71 0.86 3.11 -1.89 -2.95 116.57 114.95 1j3c h LYS 26 Ca 0.00 0.00 0.15 0.00 -2.81 0.00 0.00 60.65 57.99 1j3c h LYS 26 Cb 0.25 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.45 1j3c h LYS 26 CO 0.00 0.59 0.48 0.82 -2.81 0.00 0.00 179.45 178.53 1j3c h ILE 27 N -0.71 0.79 -0.21 2.00 1.08 -1.58 -1.34 117.51 117.55 1j3c h ILE 27 Ca -0.00 -0.12 -0.17 0.00 -0.39 0.00 0.00 64.86 64.18 1j3c h ILE 27 Cb 0.64 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1j3c h ILE 27 CO 0.01 0.06 -0.55 0.11 -0.69 0.00 0.00 178.15 177.09 1j3c h LYS 28 N 0.35 0.63 -0.08 2.37 1.79 -1.50 0.98 116.57 121.12 1j3c h LYS 28 Ca 0.35 -0.40 0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1j3c h LYS 28 Cb 0.86 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.55 1j3c h LYS 28 CO -0.10 1.02 0.09 1.03 -1.08 0.00 0.00 179.45 180.41 1j3c h SER 29 N 0.49 0.00 0.00 0.86 0.87 -1.06 -2.97 113.55 111.73 1j3c h SER 29 Ca 0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1j3c h SER 29 Cb 1.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1j3c h SER 29 CO 0.11 0.00 -1.27 -0.62 -0.53 0.00 0.00 176.83 174.51 1j3c n GLU 30 N -3.86 1.45 -3.98 2.24 -0.58 -1.12 -4.90 120.64 109.89 1j3c n GLU 30 Ca -0.01 -0.03 -0.31 0.00 -0.42 0.00 0.00 57.16 56.39 1j3c n GLU 30 Cb 0.19 -1.12 -0.14 0.00 -0.57 0.00 0.00 31.44 29.79 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 -2.26 3.56 0.15 -0.32 3.76 0.34 -4.94 115.29 115.59 1j3c s HIS 31 Ca -0.02 -3.04 0.12 0.00 -0.15 0.00 0.00 55.06 51.97 1j3c s HIS 31 Cb 0.02 -2.91 0.24 0.00 1.11 0.00 0.00 32.58 31.05 1j3c s HIS 31 CO 0.21 -0.88 1.53 -1.00 -0.85 0.00 0.00 174.74 173.75 1j3c h PRO 32 N 7.25 0.00 0.00 8.40 0.13 -1.80 -3.07 132.00 142.90 1j3c h PRO 32 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1j3c h PRO 32 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1j3c h PRO 32 CO 0.59 0.65 -0.30 0.41 -0.23 0.00 0.00 178.00 179.11 1j3c n GLY 33 N 0.67 -1.51 3.58 1.56 0.00 -1.26 -4.71 105.19 103.51 1j3c n GLY 33 Ca -0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 1j3c n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j3c s LEU 34 N -4.01 2.45 1.02 0.99 2.01 -1.16 -4.91 118.68 115.07 1j3c s LEU 34 Ca 0.09 -0.76 -0.13 0.00 0.01 0.00 0.00 54.13 53.35 1j3c s LEU 34 Cb 0.14 -2.59 0.20 0.00 0.01 0.00 0.00 46.19 43.96 1j3c s LEU 34 CO 0.65 -4.62 1.09 -0.55 1.01 0.00 0.00 176.35 173.93 1j3c s SER 35 N 9.04 2.44 0.53 2.29 0.15 -1.26 -4.46 113.70 122.43 1j3c s SER 35 Ca 0.84 1.14 0.29 0.00 0.70 0.00 0.00 55.95 58.92 1j3c s SER 35 Cb -0.07 -1.80 1.44 0.00 -1.71 0.00 0.00 66.02 63.89 1j3c s SER 35 CO 0.16 -3.24 1.94 0.40 1.20 0.00 0.00 173.24 173.70 1j3c h ILE 36 N -1.97 0.64 0.42 6.45 1.08 -1.96 0.46 117.51 122.63 1j3c h ILE 36 Ca -0.55 -0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.90 1j3c h ILE 36 Cb 1.33 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.72 1j3c h ILE 36 CO 0.57 0.00 -0.20 1.23 -0.69 0.00 0.00 178.15 179.06 1j3c h GLY 37 N 0.01 -0.59 1.96 5.37 0.00 -1.97 -0.71 103.07 107.14 1j3c h GLY 37 Ca 0.35 0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.79 1j3c h GLY 37 CO -0.01 -0.21 -0.47 -1.80 0.00 0.00 0.00 176.54 174.05 1j3c h ASP 38 N -0.56 0.05 0.20 0.19 3.58 -1.79 -2.78 116.42 115.31 1j3c h ASP 38 Ca -0.06 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.33 1j3c h ASP 38 Cb 0.43 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1j3c h ASP 38 CO 0.09 0.52 -0.18 0.74 -2.88 0.00 0.00 179.24 177.54 1j3c h THR 39 N 0.04 1.06 0.05 2.25 2.02 -0.03 0.68 112.91 118.97 1j3c h THR 39 Ca -0.00 -0.61 -0.15 0.00 0.77 0.00 0.00 66.41 66.41 1j3c h THR 39 Cb 0.85 1.34 0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1j3c h THR 39 CO 0.06 0.17 -0.63 0.00 0.37 0.00 0.00 175.52 175.50 1j3c h ALA 40 N 1.82 0.01 0.00 6.16 0.00 -0.84 -3.23 119.26 123.18 1j3c h ALA 40 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1j3c h ALA 40 Cb 0.32 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1j3c h ALA 40 CO 0.02 0.33 -0.40 0.36 0.00 0.00 0.00 179.25 179.56 1j3c n LYS 41 N -4.22 0.19 0.04 0.00 2.85 -1.09 -4.06 118.16 111.86 1j3c n LYS 41 Ca -0.12 0.08 -0.04 0.00 -1.05 0.00 0.00 58.31 57.19 1j3c n LYS 41 Cb 0.71 -1.65 -0.02 0.00 -0.65 0.00 0.00 35.03 33.42 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 -0.20 -0.58 -1.58 1.63 0.28 -3.26 116.57 112.85 1j3c h LYS 42 Ca 0.00 0.01 0.17 0.00 -0.85 0.00 0.00 60.65 59.98 1j3c h LYS 42 Cb 0.66 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 1j3c h LYS 42 CO 0.00 -0.11 0.69 -0.07 -3.45 0.00 0.00 179.45 176.52 1j3c h LEU 43 N -1.05 0.00 -0.48 5.20 3.38 -1.73 0.50 115.31 121.13 1j3c h LEU 43 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1j3c h LEU 43 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1j3c h LEU 43 CO 0.03 0.00 -0.53 1.23 0.09 0.00 0.00 178.44 179.26 1j3c h GLY 44 N 0.00 0.69 0.46 0.83 0.00 -1.70 -2.77 103.07 100.58 1j3c h GLY 44 Ca 0.28 -0.79 0.14 0.00 0.00 0.00 0.00 47.33 46.96 1j3c h GLY 44 CO -0.00 0.71 0.60 -2.09 0.00 0.00 0.00 176.54 175.75 1j3c h GLU 45 N 0.48 0.75 0.00 4.80 4.81 -0.03 -1.46 114.58 123.94 1j3c h GLU 45 Ca 0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1j3c h GLU 45 Cb 1.09 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1j3c h GLU 45 CO 0.11 0.50 -0.03 0.52 -0.73 0.00 0.00 179.01 179.37 1j3c h MET 46 N 0.78 0.02 -0.33 1.92 2.86 -1.59 -3.07 114.93 115.53 1j3c h MET 46 Ca 0.48 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 58.16 1j3c h MET 46 Cb 0.69 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.27 1j3c h MET 46 CO -0.24 0.84 -0.27 2.35 1.06 0.00 0.00 176.91 180.65 1j3c h TRP 47 N -0.78 -0.71 -0.65 -0.22 2.91 -1.15 -0.38 115.95 114.96 1j3c h TRP 47 Ca -0.00 0.05 0.02 0.00 1.13 0.00 0.00 58.89 60.08 1j3c h TRP 47 Cb 0.85 0.36 -0.03 0.00 -0.51 0.00 0.00 29.16 29.83 1j3c h TRP 47 CO 0.21 -0.34 0.43 1.03 -1.03 0.00 0.00 178.44 178.74 1j3c h SER 48 N -0.23 0.70 -0.80 2.65 0.87 -1.41 -1.93 113.55 113.40 1j3c h SER 48 Ca 0.16 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1j3c h SER 48 Cb 0.49 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 1j3c h SER 48 CO -0.46 0.49 0.38 -0.33 -0.53 0.00 0.00 176.83 176.38 1j3c h GLU 49 N 0.81 1.15 -7.03 2.24 4.39 -0.99 -3.43 114.58 111.72 1j3c h GLU 49 Ca 0.25 -0.17 -0.55 0.00 0.34 0.00 0.00 59.36 59.24 1j3c h GLU 49 Cb -0.00 -0.21 0.18 0.00 -0.10 0.00 0.00 28.75 28.62 1j3c h GLU 49 CO -0.06 0.89 0.16 1.04 -1.16 0.00 0.00 179.01 179.88 1j3c n GLN 50 N -4.31 0.39 0.00 2.33 1.13 -0.71 -5.03 117.38 111.18 1j3c n GLN 50 Ca 0.08 0.20 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 1j3c n GLN 50 Cb 0.14 -2.29 0.00 0.00 0.11 0.00 0.00 30.24 28.20 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 -2.19 0.03 -2.60 1.08 7.64 -1.26 -4.95 113.62 111.38 1j3c n SER 51 Ca 0.13 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.75 1j3c n SER 51 Cb 0.50 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 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 6.59 0.02 -0.43 0.00 -1.26 -4.13 120.51 118.30 1j3c n ALA 52 Ca 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1j3c n ALA 52 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.06 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 1.64 0.00 0.26 0.00 4.81 -1.26 -4.65 118.16 118.96 1j3c n LYS 53 Ca 0.52 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 58.08 1j3c n LYS 53 Cb 0.57 -0.19 0.71 0.00 0.02 0.00 0.00 35.03 36.14 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 0.57 3.14 3.58 -1.96 -2.71 116.42 119.04 1j3c h ASP 54 Ca 0.00 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.17 1j3c h ASP 54 Cb 0.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1j3c h ASP 54 CO 0.00 0.12 -1.33 0.50 -2.88 0.00 0.00 179.24 175.66 1j3c h LYS 55 N 0.00 0.28 -0.73 0.28 3.64 -1.87 -3.17 116.57 114.99 1j3c h LYS 55 Ca -0.00 -0.47 0.13 0.00 -1.27 0.00 0.00 60.65 59.04 1j3c h LYS 55 Cb 0.34 0.18 -0.13 0.00 -0.41 0.00 0.00 32.23 32.21 1j3c h LYS 55 CO 0.02 1.20 -0.30 1.96 -2.27 0.00 0.00 179.45 180.06 1j3c h GLN 56 N 0.08 -0.08 0.12 1.90 1.08 -1.74 1.01 115.11 117.48 1j3c h GLN 56 Ca -0.17 0.01 -0.28 0.00 -1.45 0.00 0.00 58.65 56.76 1j3c h GLN 56 Cb 1.99 0.02 0.02 0.00 -0.05 0.00 0.00 27.48 29.46 1j3c h GLN 56 CO 0.20 -0.05 -1.22 -1.00 -0.95 0.00 0.00 178.83 175.81 1j3c h PRO 57 N -0.08 0.45 -0.09 1.46 0.13 -1.71 -3.28 132.00 128.88 1j3c h PRO 57 Ca 0.30 -0.65 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1j3c h PRO 57 Cb 0.57 0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1j3c h PRO 57 CO -0.78 1.28 0.00 0.98 -0.23 0.00 0.00 178.00 179.25 1j3c n TYR 58 N -3.69 0.11 -0.04 1.56 9.36 -0.62 -3.75 117.16 120.09 1j3c n TYR 58 Ca -0.11 -0.06 0.02 0.00 3.32 0.00 0.00 57.90 61.08 1j3c n TYR 58 Cb 0.98 0.00 -0.16 0.00 -0.63 0.00 0.00 39.34 39.54 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 -0.21 0.72 0.20 2.98 -0.00 0.34 -3.89 120.64 120.78 1j3c n GLU 59 Ca 0.14 -0.12 0.09 0.00 -0.00 0.00 0.00 57.16 57.27 1j3c n GLU 59 Cb 0.19 -1.49 0.30 0.00 -0.00 0.00 0.00 31.44 30.44 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 -0.82 3.44 3.07 -1.68 -3.21 115.11 115.91 1j3c h GLN 60 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.53 1j3c h GLN 60 Cb 1.46 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.98 1j3c h GLN 60 CO 0.01 0.25 0.52 -0.22 0.09 0.00 0.00 178.83 179.49 1j3c h LYS 61 N 0.00 1.10 0.00 0.06 3.64 -1.75 -0.80 116.57 118.82 1j3c h LYS 61 Ca -0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1j3c h LYS 61 Cb 0.96 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1j3c h LYS 61 CO 0.03 0.75 0.00 0.00 -2.27 0.00 0.00 179.45 177.96 1j3c n ALA 62 N -2.34 1.89 1.75 5.00 0.00 -1.21 -2.50 120.51 123.10 1j3c n ALA 62 Ca 0.08 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1j3c n ALA 62 Cb 0.03 -1.35 0.60 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.59 2.60 -0.08 0.00 0.00 -0.31 -3.61 120.51 117.53 1j3c n ALA 63 Ca 0.04 -0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 1j3c n ALA 63 Cb 0.25 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.44 1.34 -0.01 0.00 4.76 -1.04 -4.36 118.16 118.41 1j3c n LYS 64 Ca 0.18 0.02 0.13 0.00 -2.87 0.00 0.00 58.31 55.76 1j3c n LYS 64 Cb 0.18 -1.38 0.67 0.00 -1.84 0.00 0.00 35.03 32.66 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 -2.66 0.57 -0.03 -0.35 4.32 -1.24 -3.56 117.00 114.05 1j3c n LEU 65 Ca -0.26 -0.21 -0.11 0.00 -0.02 0.00 0.00 56.01 55.41 1j3c n LEU 65 Cb 0.96 -0.02 -0.14 0.00 -1.62 0.00 0.00 43.42 42.60 1j3c n LEU 65 CO 0.29 0.10 -0.71 1.17 -1.22 0.00 0.00 177.39 177.02 1j3c n LYS 66 N -0.50 0.66 0.05 3.23 4.81 -1.24 -2.41 118.16 122.77 1j3c n LYS 66 Ca 0.19 0.23 0.13 0.00 -0.87 0.00 0.00 58.31 57.99 1j3c n LYS 66 Cb 0.18 -1.72 0.38 0.00 0.02 0.00 0.00 35.03 33.89 1j3c n LYS 66 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1j3c n GLU 67 N -3.07 0.16 -0.06 1.64 1.02 -1.23 -2.78 120.64 116.31 1j3c n GLU 67 Ca -0.23 0.09 -0.05 0.00 -0.02 0.00 0.00 57.16 56.96 1j3c n GLU 67 Cb 1.07 -1.65 -0.12 0.00 -0.02 0.00 0.00 31.44 30.72 1j3c n GLU 67 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1j3c n LYS 68 N -1.91 1.34 -0.01 3.49 4.01 -1.24 -4.13 118.16 119.71 1j3c n LYS 68 Ca 0.05 -0.03 -0.09 0.00 -0.51 0.00 0.00 58.31 57.73 1j3c n LYS 68 Cb 0.39 -1.39 -0.07 0.00 -0.51 0.00 0.00 35.03 33.45 1j3c n LYS 68 CO 0.00 0.00 0.00 -0.92 -1.11 0.00 0.00 177.40 175.37 1j3c h TYR 69 N 0.00 -0.09 0.00 2.13 3.20 -1.57 0.68 116.97 121.31 1j3c h TYR 69 Ca -0.34 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.53 1j3c h TYR 69 Cb 1.72 0.03 0.00 0.00 1.54 0.00 0.00 36.73 40.02 1j3c h TYR 69 CO 0.00 0.40 0.00 0.39 -1.64 0.00 0.00 178.16 177.31 1j3c n GLU 70 N -4.80 0.14 -0.07 1.82 1.02 -1.12 -0.62 120.64 117.02 1j3c n GLU 70 Ca -0.06 0.53 -0.07 0.00 -0.02 0.00 0.00 57.16 57.54 1j3c n GLU 70 Cb 0.26 -1.88 -0.11 0.00 -0.02 0.00 0.00 31.44 29.70 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 -2.17 1.81 -0.07 3.49 4.81 -1.23 -4.55 118.16 120.25 1j3c n LYS 71 Ca 0.00 -0.01 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1j3c n LYS 71 Cb 0.11 -1.34 -0.14 0.00 0.02 0.00 0.00 35.03 33.67 1j3c n LYS 71 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1j3c n ASP 72 N -2.49 1.09 0.29 3.14 2.03 0.23 -4.23 116.55 116.60 1j3c n ASP 72 Ca -0.22 0.10 0.16 0.00 0.52 0.00 0.00 54.79 55.35 1j3c n ASP 72 Cb 0.93 0.06 0.89 0.00 -0.72 0.00 0.00 41.12 42.29 1j3c n ASP 72 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1j3c h ILE 73 N 0.01 0.35 -0.26 5.18 6.09 -1.01 0.35 117.51 128.22 1j3c h ILE 73 Ca -0.47 -0.28 -0.04 0.00 -1.37 0.00 0.00 64.86 62.70 1j3c h ILE 73 Cb 2.07 1.20 -0.01 0.00 0.47 0.00 0.00 36.82 40.55 1j3c h ILE 73 CO 0.02 0.05 0.01 0.00 -3.07 0.00 0.00 178.15 175.16 1j3c h ALA 74 N 1.95 0.35 0.00 0.18 0.00 -1.74 -1.79 119.26 118.21 1j3c h ALA 74 Ca -0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 1j3c h ALA 74 Cb 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1j3c h ALA 74 CO 0.01 0.08 -1.08 0.00 0.00 0.00 0.00 179.25 178.25 1j3c h ALA 75 N 0.83 0.58 -0.52 0.00 0.00 -1.68 -3.29 119.26 115.18 1j3c h ALA 75 Ca 0.08 -0.88 -0.07 0.00 0.00 0.00 0.00 54.91 54.04 1j3c h ALA 75 Cb 0.40 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1j3c h ALA 75 CO 0.01 1.07 0.05 -0.92 0.00 0.00 0.00 179.25 179.46 1j3c h TYR 76 N 0.00 0.95 0.00 0.00 3.20 -0.88 -3.33 116.97 116.90 1j3c h TYR 76 Ca -0.09 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1j3c h TYR 76 Cb 1.67 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.69 1j3c h TYR 76 CO 0.00 0.86 0.00 0.54 -1.64 0.00 0.00 178.16 177.92 1j3c n ARG 77 N -4.35 0.00 -3.72 1.82 1.74 -0.68 -4.91 116.66 106.56 1j3c n ARG 77 Ca 0.01 0.26 -0.22 0.00 -0.77 0.00 0.00 57.85 57.13 1j3c n ARG 77 Cb 0.29 -1.14 0.03 0.00 -1.02 0.00 0.00 32.46 30.62 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 -1.27 -1.96 1.19 7.54 0.00 -1.24 -5.13 120.51 119.65 1j3c n ALA 78 Ca 0.00 -0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.43 1j3c n ALA 78 Cb 0.00 -2.13 0.26 0.00 0.00 0.00 0.00 19.45 17.58 1j3c n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13