#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 3.94 0.11 2.12 3.01 -1.26 -4.88 119.74 122.77 1j3c s LYS 2 Ca 0.00 -2.79 -0.21 0.00 -1.01 0.00 0.00 55.97 51.96 1j3c s LYS 2 Cb 0.00 -4.58 -0.10 0.00 -1.01 0.00 0.00 37.83 32.14 1j3c s LYS 2 CO 0.00 -1.35 1.76 -0.22 0.51 0.00 0.00 175.35 176.06 1j3c h LYS 3 N 7.27 0.16 0.00 1.68 3.64 -2.04 -3.31 116.57 123.97 1j3c h LYS 3 Ca 0.16 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1j3c h LYS 3 Cb 0.94 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1j3c h LYS 3 CO 0.95 0.11 0.00 1.63 -2.27 0.00 0.00 179.45 179.86 1j3c n LYS 4 N -5.00 0.00 -3.51 1.90 5.02 -1.26 -4.98 118.16 110.32 1j3c n LYS 4 Ca -0.05 0.26 -0.09 0.00 -2.02 0.00 0.00 58.31 56.42 1j3c n LYS 4 Cb 0.03 -1.26 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 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 -2.00 -0.37 0.11 4.39 1.01 -1.25 -5.02 116.67 113.55 1j3c s ASP 5 Ca 0.00 0.06 -0.12 0.00 0.71 0.00 0.00 52.55 53.20 1j3c s ASP 5 Cb 0.00 0.37 -0.13 0.00 1.01 0.00 0.00 42.92 44.18 1j3c s ASP 5 CO 0.00 -0.59 1.33 1.55 0.21 0.00 0.00 175.17 177.68 1j3c h PRO 6 N 2.08 0.80 0.00 8.23 0.13 -1.94 -3.09 132.00 138.20 1j3c h PRO 6 Ca -0.22 -0.62 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 1j3c h PRO 6 Cb 1.23 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1j3c h PRO 6 CO 0.31 1.23 0.00 0.27 -0.23 0.00 0.00 178.00 179.58 1j3c n ASN 7 N -3.95 0.00 -4.79 1.44 0.23 -1.26 -4.76 115.26 102.17 1j3c n ASN 7 Ca -0.07 0.15 -0.37 0.00 -0.53 0.00 0.00 54.58 53.76 1j3c n ASN 7 Cb 0.72 -0.38 -0.06 0.00 -2.08 0.00 0.00 39.78 37.98 1j3c n ASN 7 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j3c s ALA 8 N -2.76 3.66 -0.58 -2.53 0.00 -1.17 -5.01 121.76 113.37 1j3c s ALA 8 Ca 0.21 -0.36 -0.27 0.00 0.00 0.00 0.00 51.96 51.54 1j3c s ALA 8 Cb 0.19 -2.35 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 1j3c s ALA 8 CO 0.47 0.31 1.68 -1.25 0.00 0.00 0.00 175.76 176.97 1j3c s PRO 9 N -0.35 2.94 0.00 0.00 0.04 -1.26 -4.72 135.00 131.65 1j3c s PRO 9 Ca 0.20 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1j3c s PRO 9 Cb -0.14 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.12 1j3c s PRO 9 CO 0.08 -2.37 0.00 0.36 0.04 0.00 0.00 177.00 175.11 1j3c n LYS 10 N 8.99 0.70 -2.18 4.56 2.85 -1.26 -4.88 118.16 126.94 1j3c n LYS 10 Ca 0.17 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 57.03 1j3c n LYS 10 Cb 0.50 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.86 1j3c n LYS 10 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1j3c s ARG 11 N -0.31 4.30 0.17 -1.58 3.00 -1.26 -4.97 118.95 118.30 1j3c s ARG 11 Ca 0.00 2.09 -0.30 0.00 0.00 0.00 0.00 55.73 57.52 1j3c s ARG 11 Cb 0.00 -2.99 -0.08 0.00 0.00 0.00 0.00 34.95 31.89 1j3c s ARG 11 CO 0.00 -0.19 1.11 -1.25 0.00 0.00 0.00 175.30 174.97 1j3c s PRO 12 N -1.88 4.58 0.73 3.54 0.04 -1.26 -5.04 135.00 135.71 1j3c s PRO 12 Ca 0.51 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 63.15 1j3c s PRO 12 Cb -0.37 -3.28 0.17 0.00 0.04 0.00 0.00 34.50 31.06 1j3c s PRO 12 CO 0.49 0.05 1.00 -0.35 0.04 0.00 0.00 177.00 178.22 1j3c n PRO 13 N 2.44 -0.97 -2.74 0.56 -0.04 -1.26 -5.06 135.00 127.92 1j3c n PRO 13 Ca 0.03 -1.54 -0.09 0.00 -0.04 0.00 0.00 63.50 61.86 1j3c n PRO 13 Cb 0.46 -1.02 0.09 0.00 -0.04 0.00 0.00 33.50 32.98 1j3c n PRO 13 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3c n SER 14 N -3.64 -2.23 0.00 3.54 2.88 -1.26 -4.79 113.62 108.12 1j3c n SER 14 Ca 0.12 -3.63 0.00 0.00 -1.33 0.00 0.00 58.87 54.04 1j3c n SER 14 Cb 0.43 1.81 0.00 0.00 -0.75 0.00 0.00 64.21 65.71 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 0.31 0.00 -0.21 -1.46 0.00 -1.25 -4.14 120.51 113.75 1j3c n ALA 15 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1j3c n ALA 15 Cb 0.71 0.00 0.09 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 -0.14 -0.87 0.00 3.04 -1.96 0.18 116.94 117.19 1j3c h PHE 16 Ca 0.00 0.05 0.02 0.00 3.98 0.00 0.00 57.97 62.01 1j3c h PHE 16 Cb 0.00 0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.62 1j3c h PHE 16 CO 0.00 -0.21 0.57 0.35 -2.02 0.00 0.00 178.31 177.01 1j3c h PHE 17 N 0.07 1.08 -0.33 0.41 3.04 -1.95 0.23 116.94 119.50 1j3c h PHE 17 Ca 0.32 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.29 1j3c h PHE 17 Cb 0.52 -0.36 -0.02 0.00 2.56 0.00 0.00 35.95 38.65 1j3c h PHE 17 CO -0.42 0.67 0.17 -0.07 -2.02 0.00 0.00 178.31 176.64 1j3c h LEU 18 N 1.16 0.42 0.03 0.59 3.38 -1.07 0.47 115.31 120.28 1j3c h LEU 18 Ca 0.33 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1j3c h LEU 18 Cb -0.10 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1j3c h LEU 18 CO -0.08 0.41 -0.01 0.15 0.09 0.00 0.00 178.44 178.99 1j3c h PHE 19 N 0.40 -0.04 0.00 1.13 3.04 -0.41 -2.47 116.94 118.59 1j3c h PHE 19 Ca 0.11 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1j3c h PHE 19 Cb 0.09 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1j3c h PHE 19 CO -0.02 0.18 0.00 0.00 -2.02 0.00 0.00 178.31 176.45 1j3c h SER 21 N 0.00 0.00 0.00 0.00 0.87 0.43 -3.37 113.55 111.48 1j3c h SER 21 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1j3c h SER 21 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1j3c h SER 21 CO 0.00 0.00 -0.25 -1.84 -0.53 0.00 0.00 176.83 174.21 1j3c n GLU 22 N -2.73 3.36 -0.23 2.24 0.28 -1.03 -4.75 120.64 117.78 1j3c n GLU 22 Ca 0.04 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.08 1j3c n GLU 22 Cb 0.42 -0.51 0.14 0.00 1.43 0.00 0.00 31.44 32.93 1j3c n GLU 22 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1j3c n TYR 23 N -0.70 0.57 -0.04 -1.84 4.02 -0.38 -4.18 117.16 114.61 1j3c n TYR 23 Ca 0.00 -0.23 -0.21 0.00 -0.01 0.00 0.00 57.90 57.45 1j3c n TYR 23 Cb 0.00 -0.10 -0.13 0.00 -0.02 0.00 0.00 39.34 39.09 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 1.68 0.14 0.00 -0.72 3.08 -1.82 -3.33 114.38 113.40 1j3c h ARG 24 Ca 0.00 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1j3c h ARG 24 Cb 0.66 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1j3c h ARG 24 CO 0.08 1.11 0.00 -1.00 -1.07 0.00 0.00 179.97 179.09 1j3c h PRO 25 N -0.56 0.00 0.08 0.04 0.13 -1.94 -2.65 132.00 127.10 1j3c h PRO 25 Ca -0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1j3c h PRO 25 Cb 1.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.70 1j3c h PRO 25 CO -0.04 0.00 -0.04 -0.22 -0.23 0.00 0.00 178.00 177.47 1j3c h LYS 26 N 0.00 -0.10 -0.77 0.86 3.11 -1.79 -3.03 116.57 114.84 1j3c h LYS 26 Ca 0.00 0.01 0.21 0.00 -2.81 0.00 0.00 60.65 58.06 1j3c h LYS 26 Cb 0.24 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.45 1j3c h LYS 26 CO 0.00 0.44 0.55 0.82 -2.81 0.00 0.00 179.45 178.45 1j3c h ILE 27 N -0.77 0.64 -0.12 2.00 1.08 -1.58 -0.75 117.51 118.01 1j3c h ILE 27 Ca -0.01 -0.03 -0.19 0.00 -0.39 0.00 0.00 64.86 64.24 1j3c h ILE 27 Cb 0.59 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.89 1j3c h ILE 27 CO 0.02 0.02 -0.72 0.11 -0.69 0.00 0.00 178.15 176.89 1j3c h LYS 28 N 0.08 0.56 -0.07 2.37 1.79 -1.48 0.92 116.57 120.74 1j3c h LYS 28 Ca 0.37 -0.44 0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1j3c h LYS 28 Cb 1.36 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 32.09 1j3c h LYS 28 CO -0.04 1.06 0.08 1.03 -1.08 0.00 0.00 179.45 180.50 1j3c h SER 29 N 0.39 0.00 0.00 0.86 0.87 -1.01 -3.06 113.55 111.60 1j3c h SER 29 Ca -0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1j3c h SER 29 Cb 1.30 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1j3c h SER 29 CO 0.13 0.00 -1.10 -0.62 -0.53 0.00 0.00 176.83 174.72 1j3c n GLU 30 N -3.81 1.10 -3.97 2.24 -0.58 -1.16 -4.91 120.64 109.54 1j3c n GLU 30 Ca -0.01 -0.01 -0.31 0.00 -0.42 0.00 0.00 57.16 56.41 1j3c n GLU 30 Cb 0.18 -1.05 -0.15 0.00 -0.57 0.00 0.00 31.44 29.85 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 -2.11 3.39 0.14 -0.32 3.76 0.32 -4.95 115.29 115.53 1j3c s HIS 31 Ca -0.01 -2.96 -0.04 0.00 -0.15 0.00 0.00 55.06 51.91 1j3c s HIS 31 Cb 0.01 -2.78 -0.05 0.00 1.11 0.00 0.00 32.58 30.86 1j3c s HIS 31 CO 0.08 -0.87 1.34 -1.00 -0.85 0.00 0.00 174.74 173.43 1j3c h PRO 32 N 7.26 0.41 0.00 8.40 0.13 -1.80 -3.08 132.00 143.33 1j3c h PRO 32 Ca -0.06 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1j3c h PRO 32 Cb 0.98 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1j3c h PRO 32 CO 0.57 1.07 0.00 0.41 -0.23 0.00 0.00 178.00 179.82 1j3c n GLY 33 N 0.84 -1.45 3.58 1.56 0.00 -1.26 -4.60 105.19 103.86 1j3c n GLY 33 Ca -0.06 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.41 2.67 0.99 0.99 2.01 -1.16 -4.92 118.68 115.84 1j3c s LEU 34 Ca 0.12 -1.21 -0.15 0.00 0.01 0.00 0.00 54.13 52.90 1j3c s LEU 34 Cb 0.15 -2.59 0.19 0.00 0.01 0.00 0.00 46.19 43.95 1j3c s LEU 34 CO 0.49 -4.03 1.18 -0.55 1.01 0.00 0.00 176.35 174.45 1j3c s SER 35 N 7.80 2.83 0.49 2.29 0.15 -1.26 -4.51 113.70 121.49 1j3c s SER 35 Ca 0.76 0.72 0.26 0.00 0.70 0.00 0.00 55.95 58.40 1j3c s SER 35 Cb -0.04 -1.09 1.33 0.00 -1.71 0.00 0.00 66.02 64.52 1j3c s SER 35 CO 0.15 -2.95 1.87 0.40 1.20 0.00 0.00 173.24 173.91 1j3c h ILE 36 N -1.78 0.58 0.00 6.45 1.08 -1.96 0.53 117.51 122.42 1j3c h ILE 36 Ca -0.48 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1j3c h ILE 36 Cb 1.30 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 1j3c h ILE 36 CO 0.50 0.03 0.00 0.61 -0.69 0.00 0.00 178.15 178.60 1j3c n GLY 37 N -1.64 -2.68 0.29 5.37 0.00 -1.26 -0.06 105.19 105.22 1j3c n GLY 37 Ca 0.19 0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.39 1j3c n GLY 37 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j3c h ASP 38 N 0.00 0.00 -0.09 1.61 3.32 -1.85 -2.72 116.42 116.69 1j3c h ASP 38 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1j3c h ASP 38 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1j3c h ASP 38 CO 0.00 0.05 -0.25 0.74 -1.72 0.00 0.00 179.24 178.06 1j3c h THR 39 N 0.00 1.41 -0.37 0.35 2.02 0.17 -1.88 112.91 114.62 1j3c h THR 39 Ca -0.00 -1.59 0.07 0.00 0.77 0.00 0.00 66.41 65.66 1j3c h THR 39 Cb 0.19 2.21 -0.06 0.00 -1.74 0.00 0.00 68.15 68.74 1j3c h THR 39 CO 0.01 0.46 -0.05 0.00 0.37 0.00 0.00 175.52 176.31 1j3c h ALA 40 N 0.48 0.29 0.00 6.16 0.00 -0.14 0.71 119.26 126.75 1j3c h ALA 40 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1j3c h ALA 40 Cb 0.86 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1j3c h ALA 40 CO 0.05 -0.43 0.00 0.36 0.00 0.00 0.00 179.25 179.23 1j3c n LYS 41 N -5.24 0.12 0.10 0.00 2.85 -1.20 -3.51 118.16 111.29 1j3c n LYS 41 Ca 0.02 0.22 -0.08 0.00 -1.05 0.00 0.00 58.31 57.42 1j3c n LYS 41 Cb 0.20 -1.67 -0.05 0.00 -0.65 0.00 0.00 35.03 32.86 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 -0.34 -0.76 -1.58 1.63 0.01 -3.14 116.57 112.39 1j3c h LYS 42 Ca 0.00 0.02 0.14 0.00 -0.85 0.00 0.00 60.65 59.97 1j3c h LYS 42 Cb 0.46 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.12 1j3c h LYS 42 CO 0.00 -0.08 0.51 -0.07 -3.45 0.00 0.00 179.45 176.35 1j3c h LEU 43 N -1.03 0.43 -0.03 5.20 3.38 -1.55 -2.03 115.31 119.68 1j3c h LEU 43 Ca -0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j3c h LEU 43 Cb 0.41 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1j3c h LEU 43 CO 0.06 0.22 0.02 1.23 0.09 0.00 0.00 178.44 180.06 1j3c h GLY 44 N 0.46 0.04 0.54 0.83 0.00 -1.61 -2.16 103.07 101.16 1j3c h GLY 44 Ca 0.37 -0.02 0.16 0.00 0.00 0.00 0.00 47.33 47.84 1j3c h GLY 44 CO -0.13 0.02 0.55 -2.09 0.00 0.00 0.00 176.54 174.89 1j3c h GLU 45 N -0.01 0.51 0.05 4.80 4.57 -1.31 -1.76 114.58 121.43 1j3c h GLU 45 Ca 0.01 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1j3c h GLU 45 Cb 0.05 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1j3c h GLU 45 CO -0.00 0.34 -0.03 0.52 -1.18 0.00 0.00 179.01 178.66 1j3c h MET 46 N 0.52 -0.07 0.05 1.92 2.86 -1.37 -1.44 114.93 117.40 1j3c h MET 46 Ca 0.42 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 58.09 1j3c h MET 46 Cb 0.87 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.49 1j3c h MET 46 CO -0.17 0.37 -0.46 2.35 1.06 0.00 0.00 176.91 180.06 1j3c h TRP 47 N -0.53 -1.32 -0.43 -0.22 2.91 -0.72 -1.32 115.95 114.32 1j3c h TRP 47 Ca -0.01 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 1j3c h TRP 47 Cb 0.47 0.57 -0.02 0.00 -0.51 0.00 0.00 29.16 29.67 1j3c h TRP 47 CO 0.08 -0.54 0.23 1.03 -1.03 0.00 0.00 178.44 178.21 1j3c h SER 48 N -0.65 0.52 -0.86 2.65 0.87 -1.47 -2.42 113.55 112.19 1j3c h SER 48 Ca 0.03 -0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1j3c h SER 48 Cb 0.70 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 1j3c h SER 48 CO -0.30 0.43 0.55 -0.33 -0.53 0.00 0.00 176.83 176.65 1j3c h GLU 49 N 0.60 1.03 -7.29 2.24 5.08 -0.18 -3.43 114.58 112.63 1j3c h GLU 49 Ca 0.15 -0.06 -0.46 0.00 -1.00 0.00 0.00 59.36 57.99 1j3c h GLU 49 Cb 0.03 -0.23 0.17 0.00 0.50 0.00 0.00 28.75 29.21 1j3c h GLU 49 CO -0.03 0.68 0.16 -0.65 -1.00 0.00 0.00 179.01 178.18 1j3c s GLN 50 N -6.09 0.32 -0.31 2.33 -1.52 -0.71 -5.04 119.66 108.63 1j3c s GLN 50 Ca -0.13 0.73 -0.02 0.00 -1.95 0.00 0.00 55.36 53.99 1j3c s GLN 50 Cb 0.17 -1.71 0.12 0.00 -0.22 0.00 0.00 33.01 31.38 1j3c s GLN 50 CO 0.79 -2.86 0.18 -1.12 -0.25 0.00 0.00 175.29 172.04 1j3c s SER 51 N -3.17 3.05 -1.43 5.90 0.01 -1.26 -4.91 113.70 111.89 1j3c s SER 51 Ca 0.66 -1.56 -0.05 0.00 1.31 0.00 0.00 55.95 56.30 1j3c s SER 51 Cb -0.20 -0.24 0.04 0.00 0.21 0.00 0.00 66.02 65.83 1j3c s SER 51 CO 0.59 -0.38 0.72 0.00 0.41 0.00 0.00 173.24 174.58 1j3c n ALA 52 N 4.79 -1.75 0.11 1.44 0.00 -1.26 -4.82 120.51 119.03 1j3c n ALA 52 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1j3c n ALA 52 Cb 0.41 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.18 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 -4.43 0.00 0.24 0.00 0.00 -1.26 -4.66 118.16 108.05 1j3c n LYS 53 Ca -0.18 0.00 0.17 0.00 0.00 0.00 0.00 58.31 58.30 1j3c n LYS 53 Cb 0.62 0.00 0.86 0.00 0.00 0.00 0.00 35.03 36.51 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 0.00 0.03 3.14 1.82 -1.95 -2.66 116.42 116.80 1j3c h ASP 54 Ca 0.00 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.27 1j3c h ASP 54 Cb 0.00 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 39.94 1j3c h ASP 54 CO 0.00 0.00 -2.37 1.17 -1.61 0.00 0.00 179.24 176.43 1j3c n LYS 55 N -2.68 0.68 -0.26 0.28 4.81 -1.26 -3.97 118.16 115.75 1j3c n LYS 55 Ca -0.02 0.05 -0.08 0.00 -0.87 0.00 0.00 58.31 57.39 1j3c n LYS 55 Cb 0.09 -1.54 -0.03 0.00 0.02 0.00 0.00 35.03 33.57 1j3c n LYS 55 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1j3c h GLN 56 N 0.00 -0.16 0.09 1.64 4.20 -1.74 0.99 115.11 120.14 1j3c h GLN 56 Ca -0.54 0.01 -0.26 0.00 0.06 0.00 0.00 58.65 57.92 1j3c h GLN 56 Cb 2.16 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.98 1j3c h GLN 56 CO 0.01 -0.10 -1.15 -1.00 -0.67 0.00 0.00 178.83 175.91 1j3c h PRO 57 N -0.16 0.31 -0.09 1.46 0.13 -1.81 -3.27 132.00 128.57 1j3c h PRO 57 Ca 0.20 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1j3c h PRO 57 Cb 0.55 0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1j3c h PRO 57 CO -0.77 1.18 0.00 0.66 -0.23 0.00 0.00 178.00 178.84 1j3c n TYR 58 N -3.60 0.11 -0.02 1.56 4.01 -0.68 -3.66 117.16 114.89 1j3c n TYR 58 Ca -0.08 -0.06 0.08 0.00 -0.16 0.00 0.00 57.90 57.68 1j3c n TYR 58 Cb 0.97 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.84 1j3c n TYR 58 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1j3c n GLU 59 N -0.27 0.66 0.17 -0.72 -0.00 0.34 -3.93 120.64 116.88 1j3c n GLU 59 Ca 0.12 -0.16 0.06 0.00 -0.00 0.00 0.00 57.16 57.18 1j3c n GLU 59 Cb 0.16 -1.48 0.12 0.00 -0.00 0.00 0.00 31.44 30.23 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 -0.71 3.44 3.07 -1.70 -3.26 115.11 115.94 1j3c h GLN 60 Ca -0.07 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.63 1j3c h GLN 60 Cb 1.10 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.63 1j3c h GLN 60 CO 0.00 0.34 0.31 -0.22 0.09 0.00 0.00 178.83 179.35 1j3c h LYS 61 N 0.00 1.05 0.00 0.06 3.64 -1.75 -1.63 116.57 117.95 1j3c h LYS 61 Ca -0.00 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1j3c h LYS 61 Cb 1.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1j3c h LYS 61 CO 0.04 0.85 0.00 0.00 -2.27 0.00 0.00 179.45 178.08 1j3c n ALA 62 N -2.39 1.77 1.26 5.00 0.00 -1.23 -2.34 120.51 122.58 1j3c n ALA 62 Ca 0.06 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1j3c n ALA 62 Cb 0.16 -1.26 0.37 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.46 2.52 -0.08 0.00 0.00 -0.61 -3.88 120.51 117.00 1j3c n ALA 63 Ca 0.05 -0.50 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 1j3c n ALA 63 Cb 0.18 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.43 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 0.26 1.35 0.00 0.00 4.76 -0.99 -4.38 118.16 119.17 1j3c n LYS 64 Ca 0.16 0.02 0.14 0.00 -2.87 0.00 0.00 58.31 55.76 1j3c n LYS 64 Cb 0.31 -1.37 0.81 0.00 -1.84 0.00 0.00 35.03 32.94 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 0.00 0.03 -0.35 4.32 -1.25 -3.19 117.00 113.89 1j3c n LEU 65 Ca -0.26 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 55.78 1j3c n LEU 65 Cb 0.93 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.65 1j3c n LEU 65 CO 0.27 0.00 -0.39 1.17 -1.22 0.00 0.00 177.39 177.22 1j3c n LYS 66 N -0.94 0.63 0.04 3.23 4.81 -1.26 -3.04 118.16 121.64 1j3c n LYS 66 Ca 0.20 0.08 0.13 0.00 -0.87 0.00 0.00 58.31 57.85 1j3c n LYS 66 Cb 0.09 -1.72 0.33 0.00 0.02 0.00 0.00 35.03 33.75 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 -2.68 0.15 -0.09 1.64 1.02 -1.19 -2.92 120.64 116.57 1j3c n GLU 67 Ca -0.08 0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 1j3c n GLU 67 Cb 0.73 -1.63 -0.13 0.00 -0.02 0.00 0.00 31.44 30.39 1j3c n GLU 67 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1j3c n LYS 68 N -1.87 1.08 0.03 3.49 4.81 -1.25 -3.97 118.16 120.49 1j3c n LYS 68 Ca 0.05 0.01 -0.09 0.00 -0.87 0.00 0.00 58.31 57.40 1j3c n LYS 68 Cb 0.39 -1.45 -0.07 0.00 0.02 0.00 0.00 35.03 33.92 1j3c n LYS 68 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1j3c h TYR 69 N 0.00 -0.17 0.00 5.64 5.03 -1.65 -0.11 116.97 125.70 1j3c h TYR 69 Ca -0.48 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.83 1j3c h TYR 69 Cb 2.04 0.06 0.00 0.00 1.55 0.00 0.00 36.73 40.37 1j3c h TYR 69 CO 0.00 0.25 0.00 0.39 -1.32 0.00 0.00 178.16 177.49 1j3c n GLU 70 N -4.88 0.09 -0.08 1.82 1.02 -1.15 -0.60 120.64 116.85 1j3c n GLU 70 Ca -0.07 0.42 -0.09 0.00 -0.02 0.00 0.00 57.16 57.40 1j3c n GLU 70 Cb 0.25 -1.70 -0.13 0.00 -0.02 0.00 0.00 31.44 29.85 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 -1.87 1.21 -0.04 3.49 4.81 -1.22 -4.44 118.16 120.11 1j3c n LYS 71 Ca 0.02 0.01 -0.10 0.00 -0.87 0.00 0.00 58.31 57.36 1j3c n LYS 71 Cb 0.13 -1.42 -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 1.17 0.00 0.00 177.40 175.10 1j3c n ASP 72 N -2.67 0.84 0.30 3.14 2.03 -0.06 -4.07 116.55 116.06 1j3c n ASP 72 Ca -0.28 0.30 0.19 0.00 0.52 0.00 0.00 54.79 55.52 1j3c n ASP 72 Cb 1.02 0.07 0.87 0.00 -0.72 0.00 0.00 41.12 42.36 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 0.03 -0.14 5.18 6.09 -1.03 -1.48 117.51 126.17 1j3c h ILE 73 Ca -0.36 -0.35 -0.03 0.00 -1.37 0.00 0.00 64.86 62.76 1j3c h ILE 73 Cb 2.06 1.34 -0.00 0.00 0.47 0.00 0.00 36.82 40.68 1j3c h ILE 73 CO 0.07 0.01 -0.01 0.00 -3.07 0.00 0.00 178.15 175.14 1j3c h ALA 74 N 1.99 0.19 0.00 0.18 0.00 -1.77 -2.95 119.26 116.90 1j3c h ALA 74 Ca -0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1j3c h ALA 74 Cb 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1j3c h ALA 74 CO 0.00 -0.10 -0.48 0.00 0.00 0.00 0.00 179.25 178.67 1j3c h ALA 75 N 0.73 0.77 -0.53 0.00 0.00 -1.73 -3.30 119.26 115.20 1j3c h ALA 75 Ca 0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1j3c h ALA 75 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1j3c h ALA 75 CO 0.01 0.30 0.15 -0.92 0.00 0.00 0.00 179.25 178.79 1j3c h TYR 76 N 0.00 0.81 -0.49 0.00 3.20 -1.20 -2.08 116.97 117.21 1j3c h TYR 76 Ca -0.02 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1j3c h TYR 76 Cb 1.19 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1j3c h TYR 76 CO 0.00 0.67 0.00 0.54 -1.64 0.00 0.00 178.16 177.73 1j3c n ARG 77 N -4.30 3.66 -1.41 1.82 1.74 -1.12 -4.50 116.66 112.55 1j3c n ARG 77 Ca 0.04 -2.40 -0.28 0.00 -0.77 0.00 0.00 57.85 54.44 1j3c n ARG 77 Cb 0.20 -1.94 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 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 0.68 6.15 0.73 7.54 0.00 -0.78 -5.10 120.51 129.73 1j3c n ALA 78 Ca 0.21 -2.99 0.06 0.00 0.00 0.00 0.00 53.44 50.72 1j3c n ALA 78 Cb 0.87 -1.89 0.35 0.00 0.00 0.00 0.00 19.45 18.78 1j3c n ALA 78 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86