#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 0.90 0.00 2.12 5.02 -1.26 -4.88 118.16 120.06 1j3c n LYS 2 Ca 0.00 -3.42 0.00 0.00 -2.02 0.00 0.00 58.31 52.87 1j3c n LYS 2 Cb 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1j3c n LYS 2 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1j3c n LYS 3 N 1.50 0.00 -0.81 1.97 4.81 -1.26 -5.17 118.16 119.20 1j3c n LYS 3 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1j3c n LYS 3 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 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 -2.10 0.00 -4.58 1.64 5.02 -1.26 -5.12 118.16 111.76 1j3c n LYS 4 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1j3c n LYS 4 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 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 0.29 4.10 0.24 4.39 1.01 -1.26 -4.52 116.67 120.92 1j3c s ASP 5 Ca 0.00 -1.45 0.02 0.00 0.71 0.00 0.00 52.55 51.82 1j3c s ASP 5 Cb 0.00 0.05 0.26 0.00 1.01 0.00 0.00 42.92 44.24 1j3c s ASP 5 CO 0.00 -0.68 1.59 1.55 0.21 0.00 0.00 175.17 177.84 1j3c h PRO 6 N 1.48 0.40 0.00 8.23 0.13 -2.03 -2.84 132.00 137.37 1j3c h PRO 6 Ca -0.43 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1j3c h PRO 6 Cb 1.28 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1j3c h PRO 6 CO 0.75 0.81 0.00 0.09 -0.23 0.00 0.00 178.00 179.42 1j3c n ASN 7 N -3.97 0.03 -4.77 1.44 4.13 -1.26 -4.73 115.26 106.13 1j3c n ASN 7 Ca -0.02 0.50 -0.36 0.00 1.68 0.00 0.00 54.58 56.39 1j3c n ASN 7 Cb 0.55 -0.51 -0.08 0.00 -1.54 0.00 0.00 39.78 38.21 1j3c n ASN 7 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1j3c s ALA 8 N -3.01 3.71 -0.45 5.41 0.00 -1.07 -5.04 121.76 121.31 1j3c s ALA 8 Ca 0.13 -0.68 -0.28 0.00 0.00 0.00 0.00 51.96 51.12 1j3c s ALA 8 Cb 0.17 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1j3c s ALA 8 CO 0.49 0.32 1.55 -1.25 0.00 0.00 0.00 175.76 176.87 1j3c s PRO 9 N -0.12 3.35 0.00 0.00 0.04 -1.26 -4.60 135.00 132.42 1j3c s PRO 9 Ca 0.10 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1j3c s PRO 9 Cb -0.11 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1j3c s PRO 9 CO 0.00 -1.85 0.00 0.36 0.04 0.00 0.00 177.00 175.56 1j3c n LYS 10 N 8.42 0.13 -1.22 4.56 2.85 -1.26 -4.89 118.16 126.76 1j3c n LYS 10 Ca 0.17 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.08 1j3c n LYS 10 Cb 0.48 0.00 0.09 0.00 -0.65 0.00 0.00 35.03 34.96 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 -0.60 0.29 -2.36 -1.58 3.00 -1.26 -4.89 116.66 109.27 1j3c n ARG 11 Ca 0.00 0.16 -0.43 0.00 -0.01 0.00 0.00 57.85 57.57 1j3c n ARG 11 Cb 0.00 -2.12 -0.02 0.00 0.00 0.00 0.00 32.46 30.32 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 -3.36 4.26 0.62 5.56 0.04 -1.26 -5.01 135.00 135.85 1j3c s PRO 12 Ca 0.69 1.76 -0.09 0.00 0.04 0.00 0.00 61.00 63.40 1j3c s PRO 12 Cb -0.32 -3.72 -0.01 0.00 0.04 0.00 0.00 34.50 30.49 1j3c s PRO 12 CO 0.54 -0.65 0.99 -1.25 0.04 0.00 0.00 177.00 176.68 1j3c s PRO 13 N 3.12 3.20 -0.45 0.56 0.04 -1.26 -4.99 135.00 135.22 1j3c s PRO 13 Ca 0.58 0.43 0.05 0.00 0.04 0.00 0.00 61.00 62.10 1j3c s PRO 13 Cb -0.25 -2.14 0.28 0.00 0.04 0.00 0.00 34.50 32.43 1j3c s PRO 13 CO 0.20 -0.70 1.04 0.43 0.04 0.00 0.00 177.00 178.00 1j3c n SER 14 N -2.74 -2.44 0.00 6.66 7.64 -1.26 -4.74 113.62 116.73 1j3c n SER 14 Ca 0.05 -3.21 0.00 0.00 1.01 0.00 0.00 58.87 56.72 1j3c n SER 14 Cb 0.56 1.72 0.00 0.00 -1.01 0.00 0.00 64.21 65.48 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 1.10 0.00 -0.31 -0.43 0.00 -1.25 -3.96 120.51 115.66 1j3c n ALA 15 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.59 1j3c n ALA 15 Cb 0.67 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.37 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 0.80 0.00 0.00 3.57 -1.96 0.42 116.94 119.77 1j3c h PHE 16 Ca 0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1j3c h PHE 16 Cb 0.00 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 1j3c h PHE 16 CO 0.00 0.17 -0.16 0.35 -2.23 0.00 0.00 178.31 176.44 1j3c h PHE 17 N 0.62 0.00 0.19 0.41 3.57 -1.94 -1.57 116.94 118.23 1j3c h PHE 17 Ca 0.49 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.65 1j3c h PHE 17 Cb 0.73 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.48 1j3c h PHE 17 CO -0.08 0.16 -1.66 -0.07 -2.23 0.00 0.00 178.31 174.43 1j3c h LEU 18 N 0.00 0.63 -0.01 0.59 3.38 -0.59 -2.78 115.31 116.53 1j3c h LEU 18 Ca -0.00 -0.86 -0.00 0.00 0.09 0.00 0.00 57.88 57.10 1j3c h LEU 18 Cb 0.38 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1j3c h LEU 18 CO 0.02 1.71 -0.00 0.15 0.09 0.00 0.00 178.44 180.41 1j3c h PHE 19 N 0.11 0.03 0.00 1.13 3.04 -0.64 -1.98 116.94 118.63 1j3c h PHE 19 Ca -0.31 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.57 1j3c h PHE 19 Cb 2.10 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 40.60 1j3c h PHE 19 CO 0.10 0.37 -0.30 0.00 -2.02 0.00 0.00 178.31 176.47 1j3c n SER 21 N -3.94 1.30 0.00 0.00 2.88 -1.05 -4.14 113.62 108.67 1j3c n SER 21 Ca -0.02 -1.64 0.00 0.00 -1.33 0.00 0.00 58.87 55.88 1j3c n SER 21 Cb 0.37 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 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 0.08 0.00 -0.25 -1.46 -0.58 -0.76 -4.87 120.64 112.80 1j3c n GLU 22 Ca 0.16 -0.12 0.08 0.00 -0.42 0.00 0.00 57.16 56.86 1j3c n GLU 22 Cb 0.27 -0.46 0.14 0.00 -0.57 0.00 0.00 31.44 30.82 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 -0.04 -0.32 4.02 -0.29 -4.77 117.16 115.77 1j3c n TYR 23 Ca 0.00 -1.00 -0.21 0.00 -0.01 0.00 0.00 57.90 56.68 1j3c n TYR 23 Cb 0.31 -0.16 -0.13 0.00 -0.02 0.00 0.00 39.34 39.34 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 0.22 0.15 0.00 -0.72 3.08 -1.81 -3.33 114.38 111.97 1j3c h ARG 24 Ca -0.01 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1j3c h ARG 24 Cb 1.06 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1j3c h ARG 24 CO 0.00 1.12 0.00 -0.35 -1.07 0.00 0.00 179.97 179.68 1j3c n PRO 25 N -4.05 0.18 0.00 0.04 -0.04 -1.26 -2.48 135.00 127.38 1j3c n PRO 25 Ca -0.28 0.49 -0.12 0.00 -0.04 0.00 0.00 63.50 63.56 1j3c n PRO 25 Cb 0.83 -1.90 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 1j3c n PRO 25 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1j3c h LYS 26 N 0.00 -0.10 -0.79 0.54 3.11 -1.89 -3.09 116.57 114.35 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 0.25 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.46 1j3c h LYS 26 CO 0.00 0.46 0.55 0.82 -2.81 0.00 0.00 179.45 178.48 1j3c h ILE 27 N -0.81 0.64 -0.07 2.00 1.08 -1.60 -0.02 117.51 118.73 1j3c h ILE 27 Ca -0.01 -0.04 -0.16 0.00 -0.39 0.00 0.00 64.86 64.26 1j3c h ILE 27 Cb 0.61 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 1j3c h ILE 27 CO 0.02 0.02 -0.65 0.11 -0.69 0.00 0.00 178.15 176.96 1j3c h LYS 28 N 0.11 0.29 0.00 2.37 1.79 -1.51 0.99 116.57 120.61 1j3c h LYS 28 Ca 0.38 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1j3c h LYS 28 Cb 1.35 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 32.04 1j3c h LYS 28 CO -0.05 0.84 -0.06 1.03 -1.08 0.00 0.00 179.45 180.13 1j3c h SER 29 N 0.21 0.00 0.00 0.86 0.87 -0.91 -3.16 113.55 111.42 1j3c h SER 29 Ca -0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1j3c h SER 29 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1j3c h SER 29 CO 0.10 0.06 -1.25 -0.62 -0.53 0.00 0.00 176.83 174.59 1j3c n GLU 30 N -3.88 1.57 -3.97 2.24 -0.58 -1.13 -4.90 120.64 109.99 1j3c n GLU 30 Ca -0.03 -0.02 -0.31 0.00 -0.42 0.00 0.00 57.16 56.38 1j3c n GLU 30 Cb 0.15 -1.11 -0.14 0.00 -0.57 0.00 0.00 31.44 29.77 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 -2.23 3.57 0.17 -0.32 3.76 0.34 -4.94 115.29 115.65 1j3c s HIS 31 Ca -0.02 -3.01 0.11 0.00 -0.15 0.00 0.00 55.06 51.99 1j3c s HIS 31 Cb 0.02 -2.93 0.22 0.00 1.11 0.00 0.00 32.58 31.01 1j3c s HIS 31 CO 0.19 -0.89 1.52 -1.00 -0.85 0.00 0.00 174.74 173.71 1j3c h PRO 32 N 7.29 0.00 0.00 8.40 0.13 -1.80 -3.08 132.00 142.95 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 0.67 -0.27 0.41 -0.23 0.00 0.00 178.00 179.17 1j3c n GLY 33 N 0.66 -1.54 3.57 1.56 0.00 -1.26 -4.68 105.19 103.50 1j3c n GLY 33 Ca -0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 1j3c n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j3c n LEU 34 N -2.07 1.62 -4.61 0.99 7.99 -1.16 -4.92 117.00 114.85 1j3c n LEU 34 Ca 0.05 -2.57 -0.29 0.00 -0.01 0.00 0.00 56.01 53.18 1j3c n LEU 34 Cb 0.42 -1.69 0.22 0.00 -0.11 0.00 0.00 43.42 42.26 1j3c n LEU 34 CO 0.33 -3.31 0.62 -0.94 -1.51 0.00 0.00 177.39 172.58 1j3c s SER 35 N 8.14 1.46 0.53 -1.43 1.04 -1.26 -4.43 113.70 117.75 1j3c s SER 35 Ca 0.79 0.84 0.26 0.00 0.48 0.00 0.00 55.95 58.32 1j3c s SER 35 Cb -0.03 -1.25 1.41 0.00 0.10 0.00 0.00 66.02 66.24 1j3c s SER 35 CO 0.19 -3.81 1.99 0.40 0.98 0.00 0.00 173.24 172.98 1j3c h ILE 36 N -2.37 0.71 0.40 -1.02 1.08 -1.96 0.39 117.51 114.75 1j3c h ILE 36 Ca -0.49 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.96 1j3c h ILE 36 Cb 1.31 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 1j3c h ILE 36 CO 0.43 0.00 -0.20 1.23 -0.69 0.00 0.00 178.15 178.92 1j3c h GLY 37 N 0.00 -0.61 2.00 5.37 0.00 -1.97 -0.49 103.07 107.37 1j3c h GLY 37 Ca 0.27 0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.73 1j3c h GLY 37 CO -0.00 -0.22 -0.48 -0.55 0.00 0.00 0.00 176.54 175.29 1j3c h ASP 38 N -0.55 0.00 0.14 0.19 5.19 -1.81 -2.84 116.42 116.74 1j3c h ASP 38 Ca -0.06 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.30 1j3c h ASP 38 Cb 0.43 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1j3c h ASP 38 CO 0.09 0.48 -0.19 0.74 -3.12 0.00 0.00 179.24 177.23 1j3c h THR 39 N 0.00 1.18 -0.02 0.35 2.02 -0.17 0.62 112.91 116.89 1j3c h THR 39 Ca -0.00 -0.82 -0.16 0.00 0.77 0.00 0.00 66.41 66.20 1j3c h THR 39 Cb 0.86 1.34 0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1j3c h THR 39 CO 0.06 0.24 -0.62 0.00 0.37 0.00 0.00 175.52 175.58 1j3c h ALA 40 N 1.70 0.10 0.00 6.16 0.00 -0.84 -3.21 119.26 123.17 1j3c h ALA 40 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1j3c h ALA 40 Cb 0.41 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1j3c h ALA 40 CO 0.03 0.38 -0.44 0.36 0.00 0.00 0.00 179.25 179.58 1j3c n LYS 41 N -4.19 0.12 0.02 0.00 2.85 -1.11 -4.10 118.16 111.76 1j3c n LYS 41 Ca -0.10 0.04 -0.03 0.00 -1.05 0.00 0.00 58.31 57.18 1j3c n LYS 41 Cb 0.67 -1.59 -0.02 0.00 -0.65 0.00 0.00 35.03 33.45 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 -0.15 -0.67 -1.58 1.63 0.19 -3.28 116.57 112.70 1j3c h LYS 42 Ca 0.00 0.01 0.19 0.00 -0.85 0.00 0.00 60.65 60.01 1j3c h LYS 42 Cb 0.60 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.24 1j3c h LYS 42 CO 0.00 -0.07 0.70 -0.07 -3.45 0.00 0.00 179.45 176.56 1j3c h LEU 43 N -1.04 0.00 -0.57 5.20 3.38 -1.73 0.36 115.31 120.91 1j3c h LEU 43 Ca -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1j3c h LEU 43 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1j3c h LEU 43 CO 0.03 0.00 -0.34 1.23 0.09 0.00 0.00 178.44 179.44 1j3c h GLY 44 N 0.00 0.83 0.14 0.83 0.00 -1.71 -2.79 103.07 100.38 1j3c h GLY 44 Ca 0.32 -0.80 0.23 0.00 0.00 0.00 0.00 47.33 47.08 1j3c h GLY 44 CO -0.00 0.73 0.63 -2.09 0.00 0.00 0.00 176.54 175.81 1j3c h GLU 45 N 0.64 0.37 0.17 4.80 4.81 -0.33 -0.92 114.58 124.11 1j3c h GLU 45 Ca 0.06 -0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 59.01 1j3c h GLU 45 Cb 0.88 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 30.20 1j3c h GLU 45 CO 0.08 0.24 -1.20 0.52 -0.73 0.00 0.00 179.01 177.92 1j3c h MET 46 N 0.38 0.36 -0.25 1.92 2.86 -1.61 -3.03 114.93 115.56 1j3c h MET 46 Ca 0.51 -0.61 0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1j3c h MET 46 Cb 1.33 0.23 -0.07 0.00 0.06 0.00 0.00 31.60 33.15 1j3c h MET 46 CO -0.20 1.29 -0.22 2.35 1.06 0.00 0.00 176.91 181.20 1j3c h TRP 47 N -0.19 -0.56 -0.10 -0.22 2.91 -0.93 -1.36 115.95 115.49 1j3c h TRP 47 Ca -0.23 0.04 -0.10 0.00 1.13 0.00 0.00 58.89 59.73 1j3c h TRP 47 Cb 1.84 0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 30.77 1j3c h TRP 47 CO 0.16 -0.29 -0.37 1.03 -1.03 0.00 0.00 178.44 177.94 1j3c h SER 48 N -0.22 0.22 -0.91 2.65 0.87 -1.48 -2.95 113.55 111.73 1j3c h SER 48 Ca 0.14 -0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1j3c h SER 48 Cb 0.43 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.28 1j3c h SER 48 CO -0.37 0.57 0.60 -0.33 -0.53 0.00 0.00 176.83 176.77 1j3c h GLU 49 N 0.18 1.10 -7.48 2.24 4.39 -1.13 -3.42 114.58 110.45 1j3c h GLU 49 Ca 0.02 -0.07 -0.45 0.00 0.34 0.00 0.00 59.36 59.21 1j3c h GLU 49 Cb 0.74 -0.25 0.15 0.00 -0.10 0.00 0.00 28.75 29.29 1j3c h GLU 49 CO 0.06 0.73 0.26 -0.65 -1.16 0.00 0.00 179.01 178.25 1j3c s GLN 50 N -5.96 0.54 -0.30 2.33 -1.52 -0.87 -5.08 119.66 108.80 1j3c s GLN 50 Ca -0.12 0.20 -0.05 0.00 -1.95 0.00 0.00 55.36 53.43 1j3c s GLN 50 Cb 0.19 -1.78 0.18 0.00 -0.22 0.00 0.00 33.01 31.38 1j3c s GLN 50 CO 0.80 -2.59 0.74 -1.54 -0.25 0.00 0.00 175.29 172.46 1j3c s SER 51 N -3.98 -1.08 -1.33 5.90 1.04 -1.26 -4.94 113.70 108.04 1j3c s SER 51 Ca 0.66 0.74 -0.08 0.00 0.48 0.00 0.00 55.95 57.76 1j3c s SER 51 Cb -0.14 1.94 0.06 0.00 0.10 0.00 0.00 66.02 67.98 1j3c s SER 51 CO 0.55 -0.20 0.50 0.00 0.98 0.00 0.00 173.24 175.07 1j3c n ALA 52 N 5.43 -1.04 -0.35 5.32 0.00 -1.26 -4.77 120.51 123.83 1j3c n ALA 52 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1j3c n ALA 52 Cb 0.52 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.99 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 -3.77 0.00 0.29 0.00 5.02 -1.26 -4.71 118.16 113.73 1j3c n LYS 53 Ca -0.04 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.43 1j3c n LYS 53 Cb 0.56 0.00 0.83 0.00 -0.02 0.00 0.00 35.03 36.40 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 0.00 0.52 4.39 1.82 -1.96 -2.86 116.42 118.34 1j3c h ASP 54 Ca 0.00 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.35 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 0.02 -1.43 0.11 -1.61 0.00 0.00 179.24 176.33 1j3c h LYS 55 N 0.00 0.25 -0.67 0.28 1.57 -1.94 -3.15 116.57 112.91 1j3c h LYS 55 Ca -0.00 -0.42 0.13 0.00 -1.87 0.00 0.00 60.65 58.49 1j3c h LYS 55 Cb 0.36 0.16 -0.13 0.00 0.08 0.00 0.00 32.23 32.70 1j3c h LYS 55 CO 0.00 1.13 -0.24 1.96 -0.57 0.00 0.00 179.45 181.74 1j3c h GLN 56 N 0.07 -0.06 0.19 3.15 7.50 -1.78 0.85 115.11 125.02 1j3c h GLN 56 Ca -0.21 0.00 -0.32 0.00 0.50 0.00 0.00 58.65 58.63 1j3c h GLN 56 Cb 2.00 0.01 0.03 0.00 0.05 0.00 0.00 27.48 29.57 1j3c h GLN 56 CO 0.17 -0.04 -1.36 -1.00 -1.50 0.00 0.00 178.83 175.10 1j3c h PRO 57 N -0.06 0.54 -0.03 1.46 0.13 -1.72 -3.28 132.00 129.05 1j3c h PRO 57 Ca 0.30 -0.84 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1j3c h PRO 57 Cb 0.53 0.30 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1j3c h PRO 57 CO -0.71 1.39 0.00 0.98 -0.23 0.00 0.00 178.00 179.43 1j3c n TYR 58 N -3.73 0.04 0.01 1.56 4.19 -0.75 -3.46 117.16 115.02 1j3c n TYR 58 Ca -0.15 -0.02 0.10 0.00 3.31 0.00 0.00 57.90 61.15 1j3c n TYR 58 Cb 1.05 0.00 -0.13 0.00 0.49 0.00 0.00 39.34 40.74 1j3c n TYR 58 CO 0.00 0.00 0.00 -0.85 0.91 0.00 0.00 176.86 176.92 1j3c n GLU 59 N -0.59 0.65 0.14 2.98 -0.00 0.29 -3.89 120.64 120.21 1j3c n GLU 59 Ca 0.13 -0.12 0.01 0.00 -0.00 0.00 0.00 57.16 57.18 1j3c n GLU 59 Cb 0.10 -1.59 0.08 0.00 -0.00 0.00 0.00 31.44 30.04 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 -0.86 3.44 3.07 -1.70 -3.18 115.11 115.89 1j3c h GLN 60 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.70 1j3c h GLN 60 Cb 1.04 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.56 1j3c h GLN 60 CO 0.00 0.56 0.45 -0.22 0.09 0.00 0.00 178.83 179.71 1j3c h LYS 61 N 0.00 1.21 0.00 0.06 3.64 -1.73 -1.74 116.57 118.01 1j3c h LYS 61 Ca -0.01 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1j3c h LYS 61 Cb 1.32 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1j3c h LYS 61 CO 0.07 0.90 0.00 0.00 -2.27 0.00 0.00 179.45 178.15 1j3c n ALA 62 N -2.40 2.25 1.94 5.00 0.00 -1.22 -3.01 120.51 123.06 1j3c n ALA 62 Ca 0.09 -0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.65 1j3c n ALA 62 Cb 0.11 -1.46 0.87 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.74 2.67 -0.07 0.00 0.00 -0.66 -3.17 120.51 117.55 1j3c n ALA 63 Ca 0.06 -0.22 -0.07 0.00 0.00 0.00 0.00 53.44 53.20 1j3c n ALA 63 Cb 0.40 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.85 1.62 0.00 0.00 4.76 -1.16 -4.36 118.16 118.17 1j3c n LYS 64 Ca 0.23 -0.01 0.14 0.00 -2.87 0.00 0.00 58.31 55.80 1j3c n LYS 64 Cb 0.14 -1.37 0.57 0.00 -1.84 0.00 0.00 35.03 32.53 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 -2.53 0.90 0.07 -0.35 4.32 -1.22 -3.71 117.00 114.47 1j3c n LEU 65 Ca -0.23 -0.23 -0.17 0.00 -0.02 0.00 0.00 56.01 55.36 1j3c n LEU 65 Cb 0.96 -0.08 -0.14 0.00 -1.62 0.00 0.00 43.42 42.54 1j3c n LEU 65 CO 0.31 0.16 -0.31 0.50 -1.22 0.00 0.00 177.39 176.82 1j3c h LYS 66 N 1.27 0.25 0.64 3.23 1.63 -1.74 -2.97 116.57 118.88 1j3c h LYS 66 Ca 0.00 -0.42 -0.03 0.00 -0.85 0.00 0.00 60.65 59.34 1j3c h LYS 66 Cb 0.39 0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.19 1j3c h LYS 66 CO 0.00 1.12 -0.31 0.93 -3.45 0.00 0.00 179.45 177.74 1j3c h GLU 67 N 0.07 -0.82 -0.00 1.90 4.39 -1.78 -2.10 114.58 116.23 1j3c h GLU 67 Ca -0.23 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1j3c h GLU 67 Cb 2.01 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 30.85 1j3c h GLU 67 CO 0.16 -0.53 0.06 0.87 -1.16 0.00 0.00 179.01 178.41 1j3c h LYS 68 N -1.20 0.00 0.11 2.33 1.57 -1.73 -1.39 116.57 116.26 1j3c h LYS 68 Ca -0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1j3c h LYS 68 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1j3c h LYS 68 CO 0.14 0.00 -0.05 -0.92 -0.57 0.00 0.00 179.45 178.05 1j3c h TYR 69 N 0.00 -0.14 0.00 -1.35 5.03 -1.34 -0.23 116.97 118.93 1j3c h TYR 69 Ca 0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1j3c h TYR 69 Cb 0.12 0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.44 1j3c h TYR 69 CO 0.00 -0.09 0.00 0.39 -1.32 0.00 0.00 178.16 177.14 1j3c n GLU 70 N -4.53 0.09 -0.08 1.82 -0.58 -0.80 0.38 120.64 116.93 1j3c n GLU 70 Ca -0.02 0.48 -0.07 0.00 -0.42 0.00 0.00 57.16 57.12 1j3c n GLU 70 Cb 0.06 -1.72 -0.14 0.00 -0.57 0.00 0.00 31.44 29.07 1j3c n GLU 70 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1j3c n LYS 71 N -1.89 1.07 -0.07 3.49 4.76 -0.54 -4.50 118.16 120.47 1j3c n LYS 71 Ca 0.01 -0.02 -0.04 0.00 -2.87 0.00 0.00 58.31 55.39 1j3c n LYS 71 Cb 0.10 -1.46 -0.16 0.00 -1.84 0.00 0.00 35.03 31.67 1j3c n LYS 71 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1j3c n ASP 72 N -2.62 0.02 0.27 4.39 -0.08 -0.10 -4.26 116.55 114.16 1j3c n ASP 72 Ca -0.27 0.01 0.11 0.00 -1.51 0.00 0.00 54.79 53.13 1j3c n ASP 72 Cb 1.04 1.28 0.74 0.00 2.34 0.00 0.00 41.12 46.52 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 0.76 -0.79 5.18 6.09 -0.22 -2.63 117.51 125.89 1j3c h ILE 73 Ca -0.38 -0.21 0.16 0.00 -1.37 0.00 0.00 64.86 63.07 1j3c h ILE 73 Cb 1.87 1.12 -0.10 0.00 0.47 0.00 0.00 36.82 40.17 1j3c h ILE 73 CO 0.02 0.05 0.32 0.00 -3.07 0.00 0.00 178.15 175.47 1j3c h ALA 74 N 1.95 1.15 0.00 0.18 0.00 -1.76 1.01 119.26 121.78 1j3c h ALA 74 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1j3c h ALA 74 Cb 0.12 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1j3c h ALA 74 CO 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.02 1j3c h ALA 75 N 1.59 1.00 -0.02 0.00 0.00 -1.75 -1.21 119.26 118.87 1j3c h ALA 75 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1j3c h ALA 75 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1j3c h ALA 75 CO -0.44 0.00 -0.07 0.98 0.00 0.00 0.00 179.25 179.72 1j3c n TYR 76 N -2.34 0.00 -3.08 0.00 9.36 0.29 -4.77 117.16 116.62 1j3c n TYR 76 Ca 0.01 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.05 1j3c n TYR 76 Cb 0.19 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.86 1j3c n TYR 76 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1j3c n ARG 77 N 0.56 0.53 0.00 2.98 0.63 0.22 -4.95 116.66 116.62 1j3c n ARG 77 Ca 0.08 -2.67 0.16 0.00 -0.92 0.00 0.00 57.85 54.49 1j3c n ARG 77 Cb 0.34 -1.45 0.86 0.00 0.45 0.00 0.00 32.46 32.66 1j3c n ARG 77 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1j3c n ALA 78 N 2.19 2.65 1.71 5.13 0.00 -1.18 -4.64 120.51 126.37 1j3c n ALA 78 Ca 0.21 -0.21 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1j3c n ALA 78 Cb 0.54 -1.48 0.71 0.00 0.00 0.00 0.00 19.45 19.22 1j3c n ALA 78 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86