#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 2.93 0.00 2.12 3.01 -1.26 -4.99 119.74 121.55 1j3c s LYS 2 Ca 0.00 -2.69 0.00 0.00 -1.01 0.00 0.00 55.97 52.27 1j3c s LYS 2 Cb 0.00 -3.92 0.00 0.00 -1.01 0.00 0.00 37.83 32.90 1j3c s LYS 2 CO 0.00 -1.22 0.00 1.17 0.51 0.00 0.00 175.35 175.81 1j3c n LYS 3 N 3.31 0.00 0.00 1.68 4.81 -1.26 -5.19 118.16 121.51 1j3c n LYS 3 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1j3c n LYS 3 Cb 0.39 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.44 1j3c n LYS 3 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1j3c n LYS 4 N 0.00 0.00 -3.83 1.64 4.81 -1.26 -5.10 118.16 114.42 1j3c n LYS 4 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1j3c n LYS 4 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 1j3c n LYS 4 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1j3c s ASP 5 N 2.00 4.86 0.28 3.14 1.01 -1.26 -5.02 116.67 121.68 1j3c s ASP 5 Ca 0.00 -0.80 0.11 0.00 0.71 0.00 0.00 52.55 52.57 1j3c s ASP 5 Cb 0.00 -0.63 0.39 0.00 1.01 0.00 0.00 42.92 43.69 1j3c s ASP 5 CO 0.00 -0.52 1.63 1.55 0.21 0.00 0.00 175.17 178.03 1j3c h PRO 6 N 1.25 0.00 0.00 8.23 0.13 -2.03 -2.93 132.00 136.64 1j3c h PRO 6 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1j3c h PRO 6 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1j3c h PRO 6 CO 0.62 0.60 0.00 -0.91 -0.23 0.00 0.00 178.00 178.07 1j3c h ASN 7 N 0.00 0.00 -3.35 1.44 4.21 -2.07 -3.44 115.58 112.37 1j3c h ASN 7 Ca -0.01 0.00 -0.61 0.00 1.21 0.00 0.00 56.30 56.89 1j3c h ASN 7 Cb 1.07 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 38.12 1j3c h ASN 7 CO 0.08 0.00 -0.54 0.00 -1.29 0.00 0.00 177.43 175.67 1j3c s ALA 8 N -3.13 3.48 -0.55 -0.83 0.00 -1.11 -5.03 121.76 114.59 1j3c s ALA 8 Ca 0.10 -0.78 -0.27 0.00 0.00 0.00 0.00 51.96 51.01 1j3c s ALA 8 Cb 0.12 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 1j3c s ALA 8 CO 0.59 0.08 1.75 -1.25 0.00 0.00 0.00 175.76 176.93 1j3c s PRO 9 N 0.54 2.90 0.00 0.00 0.04 -1.26 -4.54 135.00 132.67 1j3c s PRO 9 Ca 0.05 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1j3c s PRO 9 Cb -0.12 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.12 1j3c s PRO 9 CO 0.01 -2.41 0.00 0.36 0.04 0.00 0.00 177.00 175.00 1j3c n LYS 10 N 8.95 -0.43 -1.66 4.56 0.00 -1.26 -4.87 118.16 123.44 1j3c n LYS 10 Ca 0.19 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.12 1j3c n LYS 10 Cb 0.50 0.00 0.05 0.00 -0.00 0.00 0.00 35.03 35.59 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 -0.99 1.13 -2.66 -1.58 3.00 -1.26 -4.93 116.66 109.38 1j3c n ARG 11 Ca 0.00 0.43 -0.42 0.00 -0.01 0.00 0.00 57.85 57.85 1j3c n ARG 11 Cb 0.00 -2.31 -0.03 0.00 0.00 0.00 0.00 32.46 30.12 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 -2.85 4.45 0.94 5.56 0.04 -1.26 -5.04 135.00 136.83 1j3c s PRO 12 Ca 0.75 1.45 -0.14 0.00 0.04 0.00 0.00 61.00 63.10 1j3c s PRO 12 Cb -0.42 -3.52 0.20 0.00 0.04 0.00 0.00 34.50 30.80 1j3c s PRO 12 CO 0.47 -0.27 1.29 -1.25 0.04 0.00 0.00 177.00 177.28 1j3c s PRO 13 N 1.76 0.71 -0.47 0.56 0.04 -1.26 -5.07 135.00 131.28 1j3c s PRO 13 Ca 0.50 -0.54 0.06 0.00 0.04 0.00 0.00 61.00 61.06 1j3c s PRO 13 Cb -0.20 -1.91 0.29 0.00 0.04 0.00 0.00 34.50 32.72 1j3c s PRO 13 CO 0.21 -2.33 1.05 0.45 0.04 0.00 0.00 177.00 176.42 1j3c n SER 14 N -3.66 -2.52 0.00 6.66 2.88 -1.26 -4.74 113.62 110.98 1j3c n SER 14 Ca 0.16 -3.55 0.00 0.00 -1.33 0.00 0.00 58.87 54.14 1j3c n SER 14 Cb 0.59 1.89 0.00 0.00 -0.75 0.00 0.00 64.21 65.95 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 0.79 0.00 -0.30 -1.46 0.00 -1.25 -3.98 120.51 114.31 1j3c n ALA 15 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.59 1j3c n ALA 15 Cb 0.68 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.36 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 0.75 0.00 0.00 3.57 -1.96 0.46 116.94 119.76 1j3c h PHE 16 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1j3c h PHE 16 Cb 0.00 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 1j3c h PHE 16 CO 0.00 0.15 -0.12 0.35 -2.23 0.00 0.00 178.31 176.46 1j3c h PHE 17 N 0.59 0.00 0.23 0.41 3.04 -1.94 -1.63 116.94 117.65 1j3c h PHE 17 Ca 0.48 0.00 -0.33 0.00 3.98 0.00 0.00 57.97 62.10 1j3c h PHE 17 Cb 0.72 0.00 0.03 0.00 2.56 0.00 0.00 35.95 39.26 1j3c h PHE 17 CO -0.10 0.12 -1.51 -0.07 -2.02 0.00 0.00 178.31 174.73 1j3c h LEU 18 N 0.00 0.77 -0.02 0.59 3.38 -0.51 -3.02 115.31 116.51 1j3c h LEU 18 Ca -0.00 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.04 1j3c h LEU 18 Cb 0.22 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1j3c h LEU 18 CO 0.02 1.72 0.01 0.15 0.09 0.00 0.00 178.44 180.42 1j3c h PHE 19 N 0.10 0.03 0.00 1.13 3.57 -0.52 -0.18 116.94 121.07 1j3c h PHE 19 Ca -0.27 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 1j3c h PHE 19 Cb 2.12 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.85 1j3c h PHE 19 CO 0.13 0.19 -0.03 0.00 -2.23 0.00 0.00 178.31 176.37 1j3c n SER 21 N -4.14 5.14 0.00 0.00 2.88 -0.86 -4.42 113.62 112.22 1j3c n SER 21 Ca -0.03 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.49 1j3c n SER 21 Cb 0.12 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 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 0.21 1.07 -0.33 -1.46 -0.58 -0.14 -4.87 120.64 114.54 1j3c n GLU 22 Ca 0.29 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 57.10 1j3c n GLU 22 Cb 1.16 -0.09 0.18 0.00 -0.57 0.00 0.00 31.44 32.12 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 0.10 -0.02 -0.32 4.02 -0.40 -4.74 117.16 115.80 1j3c n TYR 23 Ca 0.00 -1.22 -0.20 0.00 -0.01 0.00 0.00 57.90 56.47 1j3c n TYR 23 Cb 0.00 -0.21 -0.13 0.00 -0.02 0.00 0.00 39.34 38.97 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 0.52 0.16 0.00 -0.72 3.08 -1.80 -3.32 114.38 112.31 1j3c h ARG 24 Ca 0.01 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1j3c h ARG 24 Cb 1.05 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1j3c h ARG 24 CO 0.03 1.13 0.00 -0.35 -1.07 0.00 0.00 179.97 179.71 1j3c n PRO 25 N -4.14 0.18 0.02 0.04 -0.04 -1.26 -2.55 135.00 127.25 1j3c n PRO 25 Ca -0.23 0.49 -0.11 0.00 -0.04 0.00 0.00 63.50 63.61 1j3c n PRO 25 Cb 0.79 -1.90 -0.09 0.00 -0.04 0.00 0.00 33.50 32.26 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 -0.12 -0.83 0.54 3.11 -1.89 -3.01 116.57 114.36 1j3c h LYS 26 Ca 0.00 0.01 0.22 0.00 -2.81 0.00 0.00 60.65 58.07 1j3c h LYS 26 Cb 0.25 0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.47 1j3c h LYS 26 CO 0.00 0.40 0.58 0.82 -2.81 0.00 0.00 179.45 178.44 1j3c h ILE 27 N -0.82 0.63 -0.15 2.00 1.08 -1.59 -0.48 117.51 118.18 1j3c h ILE 27 Ca -0.01 -0.05 -0.19 0.00 -0.39 0.00 0.00 64.86 64.22 1j3c h ILE 27 Cb 0.58 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1j3c h ILE 27 CO 0.02 0.03 -0.68 0.11 -0.69 0.00 0.00 178.15 176.93 1j3c h LYS 28 N 0.14 0.61 -0.07 2.37 1.79 -1.51 0.88 116.57 120.79 1j3c h LYS 28 Ca 0.41 -0.46 0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1j3c h LYS 28 Cb 1.40 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 32.13 1j3c h LYS 28 CO -0.06 1.08 0.08 1.03 -1.08 0.00 0.00 179.45 180.50 1j3c h SER 29 N 0.43 0.00 0.00 0.86 0.87 -0.94 -3.00 113.55 111.77 1j3c h SER 29 Ca -0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1j3c h SER 29 Cb 1.27 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1j3c h SER 29 CO 0.13 0.00 -1.13 -0.62 -0.53 0.00 0.00 176.83 174.68 1j3c n GLU 30 N -3.78 0.64 -3.96 2.24 -0.58 -1.15 -4.91 120.64 109.14 1j3c n GLU 30 Ca -0.01 -0.02 -0.31 0.00 -0.42 0.00 0.00 57.16 56.40 1j3c n GLU 30 Cb 0.18 -1.06 -0.15 0.00 -0.57 0.00 0.00 31.44 29.84 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 -2.17 3.30 0.11 -0.32 3.76 0.31 -4.95 115.29 115.33 1j3c s HIS 31 Ca -0.01 -2.90 -0.09 0.00 -0.15 0.00 0.00 55.06 51.91 1j3c s HIS 31 Cb 0.02 -2.72 -0.14 0.00 1.11 0.00 0.00 32.58 30.84 1j3c s HIS 31 CO 0.11 -0.87 1.28 -1.00 -0.85 0.00 0.00 174.74 173.40 1j3c h PRO 32 N 7.29 0.58 0.00 8.40 0.13 -1.80 -3.09 132.00 143.51 1j3c h PRO 32 Ca -0.06 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1j3c h PRO 32 Cb 0.98 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1j3c h PRO 32 CO 0.56 1.20 0.00 0.41 -0.23 0.00 0.00 178.00 179.94 1j3c n GLY 33 N 0.91 -1.29 3.58 1.56 0.00 -1.26 -4.60 105.19 104.09 1j3c n GLY 33 Ca -0.08 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.94 2.72 0.94 0.99 2.01 -1.17 -4.92 118.68 116.32 1j3c s LEU 34 Ca 0.13 -1.07 -0.14 0.00 0.01 0.00 0.00 54.13 53.06 1j3c s LEU 34 Cb 0.16 -2.59 0.16 0.00 0.01 0.00 0.00 46.19 43.93 1j3c s LEU 34 CO 0.42 -3.92 1.19 -0.55 1.01 0.00 0.00 176.35 174.51 1j3c s SER 35 N 8.06 3.25 0.54 2.29 0.15 -1.26 -4.54 113.70 122.19 1j3c s SER 35 Ca 0.77 0.71 0.32 0.00 0.70 0.00 0.00 55.95 58.45 1j3c s SER 35 Cb -0.05 -1.09 1.48 0.00 -1.71 0.00 0.00 66.02 64.66 1j3c s SER 35 CO 0.14 -2.69 1.88 0.40 1.20 0.00 0.00 173.24 174.17 1j3c h ILE 36 N -1.60 0.53 0.00 6.45 1.08 -1.96 0.49 117.51 122.50 1j3c h ILE 36 Ca -0.47 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 1j3c h ILE 36 Cb 1.30 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.60 1j3c h ILE 36 CO 0.53 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.60 1j3c n GLY 37 N -1.70 -2.72 0.27 5.37 0.00 -1.26 -0.76 105.19 104.38 1j3c n GLY 37 Ca 0.18 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.38 1j3c n GLY 37 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1j3c h ASP 38 N 0.00 0.00 -0.05 1.61 3.58 -1.85 -2.96 116.42 116.75 1j3c h ASP 38 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1j3c h ASP 38 Cb 0.00 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.06 1j3c h ASP 38 CO 0.00 0.00 -0.37 0.74 -2.88 0.00 0.00 179.24 176.73 1j3c h THR 39 N 0.00 1.43 -0.71 2.25 2.02 0.05 -2.16 112.91 115.80 1j3c h THR 39 Ca 0.00 -1.81 0.12 0.00 0.77 0.00 0.00 66.41 65.49 1j3c h THR 39 Cb 0.29 2.40 -0.09 0.00 -1.74 0.00 0.00 68.15 69.02 1j3c h THR 39 CO 0.00 0.52 0.27 0.00 0.37 0.00 0.00 175.52 176.68 1j3c h ALA 40 N 0.40 0.96 0.00 6.16 0.00 -0.77 0.15 119.26 126.16 1j3c h ALA 40 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j3c h ALA 40 Cb 1.04 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1j3c h ALA 40 CO 0.08 -0.20 -0.02 0.36 0.00 0.00 0.00 179.25 179.47 1j3c n LYS 41 N -5.00 0.07 -0.01 0.00 2.85 -1.23 -3.29 118.16 111.55 1j3c n LYS 41 Ca 0.12 0.05 0.12 0.00 -1.05 0.00 0.00 58.31 57.55 1j3c n LYS 41 Cb 0.36 -1.57 0.66 0.00 -0.65 0.00 0.00 35.03 33.83 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 -1.69 1.14 -0.07 -1.58 3.00 0.51 -3.06 118.16 116.42 1j3c n LYS 42 Ca 0.07 -0.21 -0.07 0.00 -0.00 0.00 0.00 58.31 58.09 1j3c n LYS 42 Cb 0.36 -1.39 -0.11 0.00 0.00 0.00 0.00 35.03 33.90 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 -0.65 0.10 0.08 3.14 4.77 -1.20 -4.28 117.00 118.98 1j3c n LEU 43 Ca 0.18 -0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.94 1j3c n LEU 43 Cb 0.14 0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 1j3c n LEU 43 CO 0.14 0.36 -0.04 1.23 -1.33 0.00 0.00 177.39 177.74 1j3c h GLY 44 N 2.68 0.53 0.52 -0.72 0.00 -1.71 -2.16 103.07 102.21 1j3c h GLY 44 Ca -0.38 -1.23 0.09 0.00 0.00 0.00 0.00 47.33 45.82 1j3c h GLY 44 CO 0.02 1.08 0.44 0.83 0.00 0.00 0.00 176.54 178.90 1j3c h GLU 45 N -0.03 0.71 0.01 4.80 4.39 -1.78 -0.16 114.58 122.53 1j3c h GLU 45 Ca -0.18 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 1j3c h GLU 45 Cb 1.83 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 1j3c h GLU 45 CO 0.21 0.47 -0.01 0.52 -1.16 0.00 0.00 179.01 179.04 1j3c h MET 46 N 0.74 -0.02 -0.38 2.33 2.86 -1.74 -2.94 114.93 115.78 1j3c h MET 46 Ca 0.38 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 58.10 1j3c h MET 46 Cb 0.36 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.93 1j3c h MET 46 CO -0.25 0.66 -0.25 2.35 1.06 0.00 0.00 176.91 180.48 1j3c h TRP 47 N -0.73 -0.67 -0.56 -0.22 2.91 -1.06 0.03 115.95 115.66 1j3c h TRP 47 Ca -0.00 0.05 0.01 0.00 1.13 0.00 0.00 58.89 60.07 1j3c h TRP 47 Cb 0.69 0.35 -0.03 0.00 -0.51 0.00 0.00 29.16 29.66 1j3c h TRP 47 CO 0.17 -0.33 0.37 1.03 -1.03 0.00 0.00 178.44 178.65 1j3c h SER 48 N -0.19 0.63 -0.76 2.65 0.87 -1.14 -2.10 113.55 113.51 1j3c h SER 48 Ca 0.18 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1j3c h SER 48 Cb 0.48 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 1j3c h SER 48 CO -0.49 0.46 0.28 -0.33 -0.53 0.00 0.00 176.83 176.21 1j3c h GLU 49 N 0.75 1.16 -7.05 2.24 4.39 -0.84 -3.43 114.58 111.80 1j3c h GLU 49 Ca 0.21 -0.23 -0.54 0.00 0.34 0.00 0.00 59.36 59.13 1j3c h GLU 49 Cb -0.08 -0.18 0.18 0.00 -0.10 0.00 0.00 28.75 28.58 1j3c h GLU 49 CO -0.05 0.96 0.13 1.04 -1.16 0.00 0.00 179.01 179.94 1j3c n GLN 50 N -4.28 0.26 0.00 2.33 1.13 -0.62 -5.03 117.38 111.17 1j3c n GLN 50 Ca 0.06 0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 1j3c n GLN 50 Cb 0.20 -2.28 0.00 0.00 0.11 0.00 0.00 30.24 28.28 1j3c n GLN 50 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1j3c n SER 51 N -2.38 0.00 -2.31 1.08 2.88 -1.26 -4.95 113.62 106.69 1j3c n SER 51 Ca 0.13 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.43 1j3c n SER 51 Cb 0.50 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.92 1j3c n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3c n ALA 52 N -3.00 6.12 0.01 -1.46 0.00 -1.26 -4.19 120.51 116.73 1j3c n ALA 52 Ca 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.82 1j3c n ALA 52 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.49 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 0.86 0.00 0.27 0.00 5.02 -1.26 -4.55 118.16 118.50 1j3c n LYS 53 Ca 0.44 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.86 1j3c n LYS 53 Cb 0.58 -0.33 0.76 0.00 -0.02 0.00 0.00 35.03 36.02 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 0.56 4.39 1.82 -1.96 -2.60 116.42 118.63 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 0.61 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.62 1j3c h ASP 54 CO 0.00 0.10 -1.37 0.50 -1.61 0.00 0.00 179.24 176.86 1j3c h LYS 55 N 0.00 0.26 -0.73 0.28 3.64 -1.86 -3.18 116.57 114.98 1j3c h LYS 55 Ca -0.00 -0.44 0.13 0.00 -1.27 0.00 0.00 60.65 59.08 1j3c h LYS 55 Cb 0.28 0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 32.13 1j3c h LYS 55 CO 0.01 1.16 -0.28 1.96 -2.27 0.00 0.00 179.45 180.04 1j3c h GLN 56 N 0.07 -0.06 0.15 1.90 1.08 -1.70 1.04 115.11 117.58 1j3c h GLN 56 Ca -0.18 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.73 1j3c h GLN 56 Cb 1.99 0.01 0.02 0.00 -0.05 0.00 0.00 27.48 29.46 1j3c h GLN 56 CO 0.18 -0.04 -1.28 -1.00 -0.95 0.00 0.00 178.83 175.74 1j3c h PRO 57 N -0.07 0.46 -0.08 1.46 0.13 -1.71 -3.29 132.00 128.90 1j3c h PRO 57 Ca 0.31 -0.69 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1j3c h PRO 57 Cb 0.56 0.24 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1j3c h PRO 57 CO -0.77 1.31 0.00 0.98 -0.23 0.00 0.00 178.00 179.29 1j3c n TYR 58 N -3.68 0.10 -0.05 1.56 9.36 -0.64 -3.71 117.16 120.10 1j3c n TYR 58 Ca -0.12 -0.05 0.03 0.00 3.32 0.00 0.00 57.90 61.08 1j3c n TYR 58 Cb 1.02 0.00 -0.17 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 -0.27 0.67 0.19 2.98 -0.00 0.35 -3.89 120.64 120.67 1j3c n GLU 59 Ca 0.15 -0.13 0.07 0.00 -0.00 0.00 0.00 57.16 57.25 1j3c n GLU 59 Cb 0.19 -1.52 0.23 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 -0.90 3.44 3.07 -1.68 -3.20 115.11 115.84 1j3c h GLN 60 Ca -0.21 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.51 1j3c h GLN 60 Cb 1.49 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 29.00 1j3c h GLN 60 CO 0.01 0.31 0.50 -0.22 0.09 0.00 0.00 178.83 179.52 1j3c h LYS 61 N 0.00 1.25 0.00 0.06 3.64 -1.74 -1.16 116.57 118.62 1j3c h LYS 61 Ca -0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1j3c h LYS 61 Cb 1.06 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1j3c h LYS 61 CO 0.04 0.91 0.00 0.00 -2.27 0.00 0.00 179.45 178.13 1j3c n ALA 62 N -2.41 2.18 1.85 5.00 0.00 -1.21 -2.88 120.51 123.05 1j3c n ALA 62 Ca 0.10 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1j3c n ALA 62 Cb 0.09 -1.44 0.71 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.68 2.63 -0.08 0.00 0.00 -0.44 -3.49 120.51 117.45 1j3c n ALA 63 Ca 0.05 -0.24 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 1j3c n ALA 63 Cb 0.36 -1.36 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.64 1.38 -0.02 0.00 4.76 -1.14 -4.33 118.16 118.17 1j3c n LYS 64 Ca 0.19 -0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.76 1j3c n LYS 64 Cb 0.15 -1.41 0.59 0.00 -1.84 0.00 0.00 35.03 32.52 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 -2.61 1.02 -0.05 -0.35 4.32 -1.23 -3.59 117.00 114.51 1j3c n LEU 65 Ca -0.26 -0.37 -0.14 0.00 -0.02 0.00 0.00 56.01 55.22 1j3c n LEU 65 Cb 1.01 -0.02 -0.14 0.00 -1.62 0.00 0.00 43.42 42.65 1j3c n LEU 65 CO 0.33 0.19 -0.90 1.17 -1.22 0.00 0.00 177.39 176.96 1j3c n LYS 66 N -0.17 0.68 0.03 3.23 3.00 -1.23 -2.54 118.16 121.17 1j3c n LYS 66 Ca 0.19 0.19 0.13 0.00 -0.00 0.00 0.00 58.31 58.82 1j3c n LYS 66 Cb 0.26 -1.66 0.45 0.00 0.00 0.00 0.00 35.03 34.08 1j3c n LYS 66 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1j3c n GLU 67 N -3.12 0.09 -0.07 1.64 1.02 -1.25 -2.76 120.64 116.20 1j3c n GLU 67 Ca -0.30 0.06 -0.06 0.00 -0.02 0.00 0.00 57.16 56.84 1j3c n GLU 67 Cb 1.07 -1.59 -0.12 0.00 -0.02 0.00 0.00 31.44 30.78 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 -1.73 1.40 0.01 3.49 5.02 -1.24 -3.98 118.16 121.12 1j3c n LYS 68 Ca 0.06 -0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 1j3c n LYS 68 Cb 0.37 -1.39 -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 -0.52 0.00 0.00 177.40 175.96 1j3c h TYR 69 N 0.00 -0.12 0.00 2.13 3.20 -1.57 0.18 116.97 120.79 1j3c h TYR 69 Ca -0.36 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.51 1j3c h TYR 69 Cb 1.79 0.04 0.00 0.00 1.54 0.00 0.00 36.73 40.10 1j3c h TYR 69 CO 0.00 0.37 0.00 0.39 -1.64 0.00 0.00 178.16 177.28 1j3c n GLU 70 N -4.83 0.18 -0.09 1.82 -0.58 -1.11 -0.60 120.64 115.43 1j3c n GLU 70 Ca -0.07 0.46 -0.10 0.00 -0.42 0.00 0.00 57.16 57.04 1j3c n GLU 70 Cb 0.27 -1.89 -0.15 0.00 -0.57 0.00 0.00 31.44 29.10 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 -2.24 0.89 -0.04 3.49 5.02 -1.23 -4.42 118.16 119.64 1j3c n LYS 71 Ca 0.01 -0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.20 1j3c n LYS 71 Cb 0.19 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.57 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 -2.73 0.86 0.18 4.39 2.03 0.05 -4.04 116.55 117.29 1j3c n ASP 72 Ca -0.31 0.29 0.14 0.00 0.52 0.00 0.00 54.79 55.43 1j3c n ASP 72 Cb 1.11 0.06 0.62 0.00 -0.72 0.00 0.00 41.12 42.18 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 0.00 -0.02 5.18 6.09 -1.02 0.87 117.51 128.61 1j3c h ILE 73 Ca -0.36 -0.20 -0.06 0.00 -1.37 0.00 0.00 64.86 62.87 1j3c h ILE 73 Cb 2.06 0.93 0.00 0.00 0.47 0.00 0.00 36.82 40.28 1j3c h ILE 73 CO 0.07 0.00 -0.22 0.00 -3.07 0.00 0.00 178.15 174.92 1j3c h ALA 74 N 2.13 0.06 0.00 0.18 0.00 -1.77 -2.76 119.26 117.09 1j3c h ALA 74 Ca 0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 1j3c h ALA 74 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1j3c h ALA 74 CO 0.00 0.07 -0.93 0.00 0.00 0.00 0.00 179.25 178.38 1j3c h ALA 75 N 0.33 0.58 -0.43 0.00 0.00 -1.71 -3.30 119.26 114.73 1j3c h ALA 75 Ca -0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 54.91 54.10 1j3c h ALA 75 Cb 0.93 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1j3c h ALA 75 CO 0.05 0.95 0.15 -0.92 0.00 0.00 0.00 179.25 179.48 1j3c h TYR 76 N 0.00 0.68 0.00 0.00 3.20 -0.90 -3.31 116.97 116.64 1j3c h TYR 76 Ca -0.06 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1j3c h TYR 76 Cb 1.59 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.66 1j3c h TYR 76 CO 0.00 0.61 0.00 0.54 -1.64 0.00 0.00 178.16 177.67 1j3c n ARG 77 N -4.58 0.00 -3.81 1.82 1.74 -1.04 -4.89 116.66 105.90 1j3c n ARG 77 Ca 0.00 0.35 -0.25 0.00 -0.77 0.00 0.00 57.85 57.18 1j3c n ARG 77 Cb 0.17 -1.31 0.02 0.00 -1.02 0.00 0.00 32.46 30.32 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 -1.55 -1.75 1.69 7.54 0.00 -1.24 -5.13 120.51 120.06 1j3c n ALA 78 Ca 0.00 -0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.54 1j3c n ALA 78 Cb 0.00 -2.80 0.69 0.00 0.00 0.00 0.00 19.45 17.34 1j3c n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13