#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 3.01 0.12 2.12 3.01 -1.26 -4.93 119.74 121.80 1j3c s LYS 2 Ca 0.00 -0.51 0.00 0.00 -1.01 0.00 0.00 55.97 54.45 1j3c s LYS 2 Cb 0.00 -2.82 0.00 0.00 -1.01 0.00 0.00 37.83 34.00 1j3c s LYS 2 CO 0.00 0.64 0.00 1.17 0.51 0.00 0.00 175.35 177.67 1j3c n LYS 3 N 1.24 0.00 0.00 1.68 4.81 -1.26 -5.04 118.16 119.59 1j3c n LYS 3 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1j3c n LYS 3 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 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 -2.59 0.00 -3.66 1.64 4.76 -1.26 -4.94 118.16 112.11 1j3c n LYS 4 Ca 0.00 0.25 -0.07 0.00 -2.87 0.00 0.00 58.31 55.62 1j3c n LYS 4 Cb 0.00 -1.05 -0.08 0.00 -1.84 0.00 0.00 35.03 32.06 1j3c n LYS 4 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1j3c s ASP 5 N -2.00 -0.74 0.15 4.39 1.01 -1.26 -5.04 116.67 113.18 1j3c s ASP 5 Ca 0.00 1.25 -0.07 0.00 0.71 0.00 0.00 52.55 54.45 1j3c s ASP 5 Cb 0.00 1.33 -0.01 0.00 1.01 0.00 0.00 42.92 45.25 1j3c s ASP 5 CO 0.00 -0.22 1.42 1.55 0.21 0.00 0.00 175.17 178.12 1j3c h PRO 6 N 7.37 0.64 -0.00 8.23 0.13 -1.98 -3.01 132.00 143.38 1j3c h PRO 6 Ca -0.28 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 1j3c h PRO 6 Cb 1.18 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1j3c h PRO 6 CO 0.19 1.08 -0.00 0.27 -0.23 0.00 0.00 178.00 179.31 1j3c n ASN 7 N -3.93 0.00 -4.72 1.44 6.94 -1.26 -4.78 115.26 108.95 1j3c n ASN 7 Ca -0.05 -0.03 -0.35 0.00 -0.02 0.00 0.00 54.58 54.13 1j3c n ASN 7 Cb 0.68 -0.32 -0.08 0.00 -2.36 0.00 0.00 39.78 37.69 1j3c n ASN 7 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1j3c s ALA 8 N -2.65 3.52 -1.01 -2.53 0.00 -1.14 -5.03 121.76 112.92 1j3c s ALA 8 Ca 0.26 -0.73 -0.23 0.00 0.00 0.00 0.00 51.96 51.26 1j3c s ALA 8 Cb 0.20 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.54 1j3c s ALA 8 CO 0.47 0.44 1.61 -1.25 0.00 0.00 0.00 175.76 177.03 1j3c s PRO 9 N -0.44 3.32 -0.46 0.00 0.04 -1.26 -4.77 135.00 131.43 1j3c s PRO 9 Ca 0.10 -0.96 0.04 0.00 0.04 0.00 0.00 61.00 60.21 1j3c s PRO 9 Cb -0.12 -5.29 0.65 0.00 0.04 0.00 0.00 34.50 29.78 1j3c s PRO 9 CO 0.02 -2.56 1.91 0.36 0.04 0.00 0.00 177.00 176.77 1j3c n LYS 10 N 8.83 2.25 -3.15 4.56 2.85 -1.26 -4.77 118.16 127.47 1j3c n LYS 10 Ca 0.36 -2.98 0.05 0.00 -1.05 0.00 0.00 58.31 54.70 1j3c n LYS 10 Cb 0.49 -2.17 -0.00 0.00 -0.65 0.00 0.00 35.03 32.71 1j3c n LYS 10 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1j3c s ARG 11 N -3.27 0.27 -0.21 -1.58 3.52 -1.26 -5.13 118.95 111.28 1j3c s ARG 11 Ca 0.56 0.27 -0.29 0.00 -0.13 0.00 0.00 55.73 56.15 1j3c s ARG 11 Cb 0.47 0.13 -0.01 0.00 -1.56 0.00 0.00 34.95 33.98 1j3c s ARG 11 CO 0.10 -0.49 1.23 -1.25 -0.81 0.00 0.00 175.30 174.09 1j3c s PRO 12 N 2.92 4.15 0.70 5.12 0.04 -1.26 -5.02 135.00 141.66 1j3c s PRO 12 Ca 0.22 1.50 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 1j3c s PRO 12 Cb -0.05 -3.77 0.03 0.00 0.04 0.00 0.00 34.50 30.75 1j3c s PRO 12 CO -0.23 -0.80 1.07 -1.25 0.04 0.00 0.00 177.00 175.82 1j3c s PRO 13 N 3.62 2.60 -0.41 0.56 0.04 -1.26 -5.04 135.00 135.10 1j3c s PRO 13 Ca 0.53 0.20 0.09 0.00 0.04 0.00 0.00 61.00 61.86 1j3c s PRO 13 Cb -0.19 -2.07 0.36 0.00 0.04 0.00 0.00 34.50 32.64 1j3c s PRO 13 CO 0.15 -1.11 1.18 0.45 0.04 0.00 0.00 177.00 177.71 1j3c n SER 14 N -2.98 -1.58 0.00 6.66 2.88 -1.26 -4.80 113.62 112.54 1j3c n SER 14 Ca 0.07 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.58 1j3c n SER 14 Cb 0.58 1.12 0.00 0.00 -0.75 0.00 0.00 64.21 65.17 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 -0.10 0.00 -0.19 -1.46 0.00 -1.25 -4.14 120.51 113.37 1j3c n ALA 15 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 1j3c n ALA 15 Cb 0.77 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.27 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 -0.28 -0.94 0.00 3.57 -1.97 0.61 116.94 117.93 1j3c h PHE 16 Ca 0.00 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1j3c h PHE 16 Cb 0.00 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 1j3c h PHE 16 CO 0.00 -0.24 0.61 0.74 -2.23 0.00 0.00 178.31 177.19 1j3c h PHE 17 N 0.01 1.13 -0.19 0.41 0.04 -1.96 0.52 116.94 116.90 1j3c h PHE 17 Ca 0.27 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.07 1j3c h PHE 17 Cb 0.42 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1j3c h PHE 17 CO -0.46 0.62 0.12 -0.07 -0.60 0.00 0.00 178.31 177.92 1j3c h LEU 18 N 1.14 0.22 0.01 1.54 3.38 -1.24 0.48 115.31 120.85 1j3c h LEU 18 Ca 0.39 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 1j3c h LEU 18 Cb 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1j3c h LEU 18 CO -0.14 0.19 -0.01 0.15 0.09 0.00 0.00 178.44 178.72 1j3c h PHE 19 N 0.24 -0.02 -0.14 1.13 3.57 -0.74 -2.95 116.94 118.03 1j3c h PHE 19 Ca 0.07 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1j3c h PHE 19 Cb 0.00 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1j3c h PHE 19 CO -0.06 0.33 -0.12 0.00 -2.23 0.00 0.00 178.31 176.23 1j3c h SER 21 N 0.22 0.00 0.00 0.00 0.02 0.09 -2.10 113.55 111.77 1j3c h SER 21 Ca 0.04 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 1j3c h SER 21 Cb 0.35 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1j3c h SER 21 CO 0.02 0.08 -1.78 -1.84 -1.14 0.00 0.00 176.83 172.17 1j3c n GLU 22 N -3.41 1.26 0.07 3.45 0.28 -0.74 -4.60 120.64 116.94 1j3c n GLU 22 Ca -0.01 -0.06 -0.15 0.00 -0.16 0.00 0.00 57.16 56.77 1j3c n GLU 22 Cb 0.23 -1.33 -0.14 0.00 1.43 0.00 0.00 31.44 31.63 1j3c n GLU 22 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 1j3c h TYR 23 N 0.00 0.40 -0.44 -1.84 -1.99 -0.93 -3.36 116.97 108.81 1j3c h TYR 23 Ca -0.20 -0.29 0.09 0.00 2.00 0.00 0.00 58.73 60.33 1j3c h TYR 23 Cb 1.30 -0.02 -0.10 0.00 2.00 0.00 0.00 36.73 39.92 1j3c h TYR 23 CO 0.00 1.30 -0.27 0.00 -0.00 0.00 0.00 178.16 179.19 1j3c h ARG 24 N 0.06 -0.18 -0.00 4.88 3.08 -1.61 0.23 114.38 120.84 1j3c h ARG 24 Ca -0.20 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1j3c h ARG 24 Cb 1.98 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 32.07 1j3c h ARG 24 CO 0.16 -0.12 0.00 -1.00 -1.07 0.00 0.00 179.97 177.95 1j3c h PRO 25 N -0.18 0.00 -0.21 0.04 0.13 -1.84 -0.93 132.00 129.01 1j3c h PRO 25 Ca 0.20 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.25 1j3c h PRO 25 Cb 0.50 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 1j3c h PRO 25 CO -0.55 0.00 -0.19 -0.22 -0.23 0.00 0.00 178.00 176.82 1j3c h LYS 26 N 0.00 0.49 -0.55 0.86 3.11 -0.75 -2.79 116.57 116.94 1j3c h LYS 26 Ca 0.00 -0.25 0.03 0.00 -2.81 0.00 0.00 60.65 57.62 1j3c h LYS 26 Cb 0.01 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.22 1j3c h LYS 26 CO -0.00 0.83 0.37 0.82 -2.81 0.00 0.00 179.45 178.65 1j3c h ILE 27 N 0.18 1.08 -0.36 2.00 1.08 0.11 -2.56 117.51 119.03 1j3c h ILE 27 Ca 0.04 -0.22 -0.17 0.00 -0.39 0.00 0.00 64.86 64.11 1j3c h ILE 27 Cb 0.73 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1j3c h ILE 27 CO 0.05 0.12 -0.43 0.11 -0.69 0.00 0.00 178.15 177.31 1j3c h LYS 28 N 0.65 0.93 -0.13 2.37 1.79 -1.24 1.00 116.57 121.94 1j3c h LYS 28 Ca 0.22 -0.51 0.04 0.00 -2.18 0.00 0.00 60.65 58.21 1j3c h LYS 28 Cb 0.06 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1j3c h LYS 28 CO -0.06 1.16 0.15 1.03 -1.08 0.00 0.00 179.45 180.65 1j3c h SER 29 N 0.74 0.00 0.00 0.86 0.87 -1.19 -2.86 113.55 111.98 1j3c h SER 29 Ca 0.05 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1j3c h SER 29 Cb 1.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1j3c h SER 29 CO 0.10 0.00 -1.34 -0.62 -0.53 0.00 0.00 176.83 174.44 1j3c n GLU 30 N -3.83 1.22 -3.98 2.24 -0.58 -1.12 -4.88 120.64 109.70 1j3c n GLU 30 Ca 0.00 -0.04 -0.31 0.00 -0.42 0.00 0.00 57.16 56.40 1j3c n GLU 30 Cb 0.26 -1.16 -0.15 0.00 -0.57 0.00 0.00 31.44 29.82 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 -2.34 3.43 0.14 -0.32 3.76 0.34 -4.94 115.29 115.35 1j3c s HIS 31 Ca -0.03 -3.01 -0.05 0.00 -0.15 0.00 0.00 55.06 51.82 1j3c s HIS 31 Cb 0.03 -2.82 -0.07 0.00 1.11 0.00 0.00 32.58 30.84 1j3c s HIS 31 CO 0.26 -0.87 1.33 -1.00 -0.85 0.00 0.00 174.74 173.62 1j3c h PRO 32 N 7.19 0.47 0.00 8.40 0.13 -1.80 -3.08 132.00 143.31 1j3c h PRO 32 Ca -0.06 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1j3c h PRO 32 Cb 0.97 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1j3c h PRO 32 CO 0.58 1.10 0.00 0.78 -0.23 0.00 0.00 178.00 180.23 1j3c h GLY 33 N 1.13 0.00 -7.16 1.56 0.00 -1.92 -3.42 103.07 93.26 1j3c h GLY 33 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1j3c h GLY 33 CO 0.15 0.00 0.15 1.04 0.00 0.00 0.00 176.54 177.89 1j3c n LEU 34 N -2.57 1.16 -4.80 3.11 7.99 -1.16 -4.91 117.00 115.81 1j3c n LEU 34 Ca 0.03 -2.00 -0.29 0.00 -0.01 0.00 0.00 56.01 53.75 1j3c n LEU 34 Cb 0.37 -1.59 0.16 0.00 -0.11 0.00 0.00 43.42 42.25 1j3c n LEU 34 CO 0.27 -3.11 0.74 -0.44 -1.51 0.00 0.00 177.39 173.35 1j3c s SER 35 N 8.48 3.12 0.55 -1.43 0.01 -1.26 -4.54 113.70 118.63 1j3c s SER 35 Ca 0.83 0.75 0.27 0.00 1.31 0.00 0.00 55.95 59.10 1j3c s SER 35 Cb -0.11 -1.15 1.46 0.00 0.21 0.00 0.00 66.02 66.43 1j3c s SER 35 CO 0.16 -2.77 2.00 0.40 0.41 0.00 0.00 173.24 173.43 1j3c h ILE 36 N -1.65 0.61 0.00 1.44 1.08 -1.95 0.57 117.51 117.61 1j3c h ILE 36 Ca -0.48 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1j3c h ILE 36 Cb 1.31 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 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 -1.57 -2.46 0.21 5.37 0.00 -1.26 -0.04 105.19 105.44 1j3c n GLY 37 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.21 0.29 1.61 1.82 -1.86 -2.52 116.42 115.98 1j3c h ASP 38 Ca 0.00 -0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.51 1j3c h ASP 38 Cb 0.00 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 1j3c h ASP 38 CO 0.00 0.53 -0.29 0.74 -1.61 0.00 0.00 179.24 178.62 1j3c h THR 39 N 0.18 1.20 -0.10 2.25 2.02 0.15 0.71 112.91 119.33 1j3c h THR 39 Ca 0.02 -0.99 -0.13 0.00 0.77 0.00 0.00 66.41 66.09 1j3c h THR 39 Cb 0.67 1.53 0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1j3c h THR 39 CO 0.05 0.28 -0.43 0.00 0.37 0.00 0.00 175.52 175.79 1j3c h ALA 40 N 1.71 0.19 0.00 6.16 0.00 -0.01 -3.26 119.26 124.05 1j3c h ALA 40 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1j3c h ALA 40 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1j3c h ALA 40 CO 0.04 0.31 -0.46 0.36 0.00 0.00 0.00 179.25 179.50 1j3c n LYS 41 N -4.30 0.20 -0.08 0.00 2.85 -1.08 -3.69 118.16 112.06 1j3c n LYS 41 Ca -0.08 0.08 0.08 0.00 -1.05 0.00 0.00 58.31 57.33 1j3c n LYS 41 Cb 0.56 -1.64 0.30 0.00 -0.65 0.00 0.00 35.03 33.60 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 -1.94 1.50 -0.08 -1.58 3.00 0.24 -3.62 118.16 115.68 1j3c n LYS 42 Ca 0.04 -0.76 -0.06 0.00 -0.00 0.00 0.00 58.31 57.54 1j3c n LYS 42 Cb 0.41 -1.29 -0.14 0.00 0.00 0.00 0.00 35.03 34.01 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 0.03 0.00 0.16 3.14 4.77 -1.24 -4.30 117.00 119.55 1j3c n LEU 43 Ca 0.12 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.11 1j3c n LEU 43 Cb 0.22 0.38 0.26 0.00 -2.33 0.00 0.00 43.42 41.95 1j3c n LEU 43 CO 0.09 0.38 0.60 1.23 -1.33 0.00 0.00 177.39 178.37 1j3c h GLY 44 N 3.58 0.00 0.54 -0.72 0.00 -1.75 -2.27 103.07 102.45 1j3c h GLY 44 Ca -0.42 0.00 0.05 0.00 0.00 0.00 0.00 47.33 46.95 1j3c h GLY 44 CO 0.02 0.00 -0.05 -2.09 0.00 0.00 0.00 176.54 174.43 1j3c h GLU 45 N 0.00 0.02 -0.00 4.80 4.57 -1.75 0.20 114.58 122.42 1j3c h GLU 45 Ca -0.01 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1j3c h GLU 45 Cb 0.91 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1j3c h GLU 45 CO 0.07 0.01 -0.02 0.52 -1.18 0.00 0.00 179.01 178.40 1j3c h MET 46 N 0.02 0.02 0.14 1.92 2.86 -1.77 -2.10 114.93 116.02 1j3c h MET 46 Ca 0.12 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1j3c h MET 46 Cb 0.17 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.79 1j3c h MET 46 CO -0.24 0.70 -0.50 2.35 1.06 0.00 0.00 176.91 180.29 1j3c h TRP 47 N -0.65 -1.43 -0.31 -0.22 2.91 -1.25 -1.38 115.95 113.61 1j3c h TRP 47 Ca -0.00 0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.04 1j3c h TRP 47 Cb 0.71 0.61 -0.02 0.00 -0.51 0.00 0.00 29.16 29.95 1j3c h TRP 47 CO 0.17 -0.58 0.12 1.03 -1.03 0.00 0.00 178.44 178.14 1j3c h SER 48 N -0.74 0.39 -0.98 2.65 0.87 -0.72 -2.35 113.55 112.65 1j3c h SER 48 Ca 0.00 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1j3c h SER 48 Cb 0.75 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.56 1j3c h SER 48 CO -0.27 0.36 0.65 -0.33 -0.53 0.00 0.00 176.83 176.71 1j3c h GLU 49 N 0.43 1.27 -7.26 2.24 4.39 -0.56 -3.43 114.58 111.66 1j3c h GLU 49 Ca 0.11 -0.08 -0.50 0.00 0.34 0.00 0.00 59.36 59.23 1j3c h GLU 49 Cb 0.09 -0.29 0.18 0.00 -0.10 0.00 0.00 28.75 28.64 1j3c h GLU 49 CO -0.01 0.84 0.21 -0.65 -1.16 0.00 0.00 179.01 178.23 1j3c s GLN 50 N -6.08 0.91 0.00 2.33 -0.21 -0.64 -5.05 119.66 110.91 1j3c s GLN 50 Ca -0.13 1.26 0.00 0.00 0.02 0.00 0.00 55.36 56.51 1j3c s GLN 50 Cb 0.18 -1.74 0.00 0.00 1.00 0.00 0.00 33.01 32.46 1j3c s GLN 50 CO 0.82 -2.61 0.00 -1.13 -2.12 0.00 0.00 175.29 170.25 1j3c n SER 51 N -4.19 0.00 -2.47 5.90 3.41 -1.26 -4.91 113.62 110.09 1j3c n SER 51 Ca 0.09 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.46 1j3c n SER 51 Cb 0.53 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 1j3c n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j3c n ALA 52 N -3.00 6.56 0.00 7.33 0.00 -1.26 -4.03 120.51 126.11 1j3c n ALA 52 Ca 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.70 1j3c n ALA 52 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.07 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 1.80 0.00 -0.16 0.00 3.00 -1.26 -4.65 118.16 116.89 1j3c n LYS 53 Ca 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.80 1j3c n LYS 53 Cb 0.63 -0.73 0.22 0.00 0.00 0.00 0.00 35.03 35.15 1j3c n LYS 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1j3c h ASP 54 N 0.00 0.79 -0.32 3.14 2.03 -1.94 -2.24 116.42 117.88 1j3c h ASP 54 Ca 0.00 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.21 1j3c h ASP 54 Cb 0.74 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 1j3c h ASP 54 CO 0.00 0.70 0.00 1.17 -1.03 0.00 0.00 179.24 180.08 1j3c n LYS 55 N -4.33 3.17 -0.09 4.15 4.81 -1.26 -3.74 118.16 120.86 1j3c n LYS 55 Ca 0.05 -1.75 -0.12 0.00 -0.87 0.00 0.00 58.31 55.62 1j3c n LYS 55 Cb 0.15 -1.92 -0.05 0.00 0.02 0.00 0.00 35.03 33.23 1j3c n LYS 55 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1j3c n GLN 56 N 0.35 0.51 0.04 1.64 6.02 -0.84 -3.97 117.38 121.13 1j3c n GLN 56 Ca 0.15 0.41 -0.10 0.00 -0.01 0.00 0.00 57.00 57.46 1j3c n GLN 56 Cb 0.78 -1.60 -0.13 0.00 1.02 0.00 0.00 30.24 30.31 1j3c n GLN 56 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1j3c h PRO 57 N -1.00 0.06 -0.02 -1.09 0.13 -1.75 -3.30 132.00 125.02 1j3c h PRO 57 Ca -0.14 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1j3c h PRO 57 Cb 0.92 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1j3c h PRO 57 CO -0.09 0.90 0.00 0.66 -0.23 0.00 0.00 178.00 179.25 1j3c n TYR 58 N -3.30 0.02 0.01 1.56 4.01 -1.25 -3.57 117.16 114.64 1j3c n TYR 58 Ca -0.07 -0.01 0.07 0.00 -0.16 0.00 0.00 57.90 57.73 1j3c n TYR 58 Cb 0.99 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.90 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 -0.63 0.65 0.12 -0.72 -0.00 -1.24 -3.92 120.64 114.90 1j3c n GLU 59 Ca 0.19 -0.06 0.03 0.00 -0.00 0.00 0.00 57.16 57.32 1j3c n GLU 59 Cb 0.15 -1.62 0.01 0.00 -0.00 0.00 0.00 31.44 29.98 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 -0.41 3.44 3.07 -1.73 -3.27 115.11 116.21 1j3c h GLN 60 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.63 1j3c h GLN 60 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.77 1j3c h GLN 60 CO 0.01 0.41 0.18 -0.22 0.09 0.00 0.00 178.83 179.30 1j3c h LYS 61 N 0.00 0.61 0.00 0.06 3.64 -1.73 -1.92 116.57 117.23 1j3c h LYS 61 Ca -0.03 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1j3c h LYS 61 Cb 1.38 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1j3c h LYS 61 CO 0.05 0.55 0.00 0.00 -2.27 0.00 0.00 179.45 177.79 1j3c n ALA 62 N -2.30 1.95 1.68 5.00 0.00 -1.25 -2.57 120.51 123.03 1j3c n ALA 62 Ca 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.52 1j3c n ALA 62 Cb 0.13 -1.34 0.66 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.51 2.61 -0.07 0.00 0.00 -0.72 -3.50 120.51 117.31 1j3c n ALA 63 Ca 0.05 -0.35 -0.07 0.00 0.00 0.00 0.00 53.44 53.07 1j3c n ALA 63 Cb 0.25 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.28 1.60 0.00 0.00 4.76 -1.06 -4.37 118.16 118.80 1j3c n LYS 64 Ca 0.20 -0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.78 1j3c n LYS 64 Cb 0.25 -1.37 0.59 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 -2.55 0.25 0.09 -0.35 4.32 -1.24 -3.42 117.00 114.09 1j3c n LEU 65 Ca -0.24 0.20 -0.02 0.00 -0.02 0.00 0.00 56.01 55.93 1j3c n LEU 65 Cb 0.96 -0.30 -0.05 0.00 -1.62 0.00 0.00 43.42 42.41 1j3c n LEU 65 CO 0.30 0.05 0.23 0.50 -1.22 0.00 0.00 177.39 177.25 1j3c h LYS 66 N 0.22 0.00 -0.00 3.23 3.64 -1.76 -2.07 116.57 119.83 1j3c h LYS 66 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1j3c h LYS 66 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1j3c h LYS 66 CO 0.00 0.68 -0.16 0.39 -2.27 0.00 0.00 179.45 178.09 1j3c n GLU 67 N -3.24 0.50 -0.08 1.90 1.02 -1.22 -2.55 120.64 116.97 1j3c n GLU 67 Ca -0.01 -0.19 -0.10 0.00 -0.02 0.00 0.00 57.16 56.84 1j3c n GLU 67 Cb 0.84 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.66 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 -1.09 1.00 0.05 3.49 4.76 -1.20 -4.14 118.16 121.03 1j3c n LYS 68 Ca 0.12 0.05 -0.07 0.00 -2.87 0.00 0.00 58.31 55.54 1j3c n LYS 68 Cb 0.30 -1.38 -0.05 0.00 -1.84 0.00 0.00 35.03 32.06 1j3c n LYS 68 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1j3c h TYR 69 N 0.00 -0.21 0.00 2.13 3.20 -1.47 0.65 116.97 121.27 1j3c h TYR 69 Ca -0.41 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1j3c h TYR 69 Cb 1.78 0.07 0.00 0.00 1.54 0.00 0.00 36.73 40.12 1j3c h TYR 69 CO 0.01 0.09 0.11 0.93 -1.64 0.00 0.00 178.16 177.66 1j3c h GLU 70 N -1.00 0.00 0.00 1.82 5.08 -1.73 0.31 114.58 119.06 1j3c h GLU 70 Ca -0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 1j3c h GLU 70 Cb 0.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1j3c h GLU 70 CO 0.04 0.00 -2.02 1.63 -1.00 0.00 0.00 179.01 177.66 1j3c n LYS 71 N -2.97 0.84 -0.11 2.33 4.76 -1.22 -4.27 118.16 117.52 1j3c n LYS 71 Ca -0.03 -0.10 -0.15 0.00 -2.87 0.00 0.00 58.31 55.16 1j3c n LYS 71 Cb 0.17 -1.45 -0.13 0.00 -1.84 0.00 0.00 35.03 31.78 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 -2.38 1.34 0.20 4.39 2.03 0.22 -4.36 116.55 117.98 1j3c n ASP 72 Ca -0.15 -0.05 0.06 0.00 0.52 0.00 0.00 54.79 55.17 1j3c n ASP 72 Cb 0.76 -0.00 0.39 0.00 -0.72 0.00 0.00 41.12 41.54 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 0.91 -0.46 5.18 6.09 -0.58 -1.76 117.51 126.89 1j3c h ILE 73 Ca -0.55 -1.37 -0.01 0.00 -1.37 0.00 0.00 64.86 61.57 1j3c h ILE 73 Cb 2.02 1.82 -0.02 0.00 0.47 0.00 0.00 36.82 41.11 1j3c h ILE 73 CO -0.03 0.34 0.27 0.00 -3.07 0.00 0.00 178.15 175.66 1j3c h ALA 74 N 1.65 0.59 0.00 0.18 0.00 -1.74 -0.26 119.26 119.68 1j3c h ALA 74 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1j3c h ALA 74 Cb 0.79 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1j3c h ALA 74 CO 0.05 0.09 -0.51 0.00 0.00 0.00 0.00 179.25 178.88 1j3c h ALA 75 N 1.12 0.70 0.05 0.00 0.00 -1.75 -2.93 119.26 116.45 1j3c h ALA 75 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.83 1j3c h ALA 75 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1j3c h ALA 75 CO -0.03 0.00 -1.19 -0.92 0.00 0.00 0.00 179.25 177.11 1j3c h TYR 76 N 0.00 0.19 -0.12 0.00 3.20 -0.93 -3.30 116.97 116.00 1j3c h TYR 76 Ca 0.00 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1j3c h TYR 76 Cb 0.85 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1j3c h TYR 76 CO 0.00 1.12 0.00 0.54 -1.64 0.00 0.00 178.16 178.18 1j3c n ARG 77 N -3.38 2.28 -1.87 1.82 1.74 -0.14 -4.79 116.66 112.31 1j3c n ARG 77 Ca -0.06 -1.98 -0.34 0.00 -0.77 0.00 0.00 57.85 54.70 1j3c n ARG 77 Cb 0.99 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.91 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 1.34 2.48 1.71 7.54 0.00 -1.11 -5.07 120.51 127.41 1j3c n ALA 78 Ca 0.15 -3.20 0.14 0.00 0.00 0.00 0.00 53.44 50.52 1j3c n ALA 78 Cb 0.58 -3.53 0.81 0.00 0.00 0.00 0.00 19.45 17.31 1j3c n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13