#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 1.11 0.00 2.12 5.02 -1.26 -5.03 118.16 120.12 1j3c n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1j3c n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.82 0.00 0.00 1.97 0.00 -1.26 -5.15 118.16 112.90 1j3c n LYS 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1j3c n LYS 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1j3c n LYS 3 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1j3c n LYS 4 N -0.28 -0.95 -4.11 1.64 4.76 -1.26 -5.07 118.16 112.89 1j3c n LYS 4 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1j3c n LYS 4 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 1j3c n LYS 4 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1j3c n ASP 5 N -2.15 -1.32 0.01 4.39 9.92 -1.25 -5.01 116.55 121.13 1j3c n ASP 5 Ca 0.00 -3.01 -0.07 0.00 -0.53 0.00 0.00 54.79 51.18 1j3c n ASP 5 Cb 0.00 2.52 0.10 0.00 -0.64 0.00 0.00 41.12 43.10 1j3c n ASP 5 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1j3c h PRO 6 N 0.00 0.52 0.00 -0.24 0.13 -2.01 -2.96 132.00 127.43 1j3c h PRO 6 Ca -0.28 -0.28 -0.04 0.00 -0.87 0.00 0.00 66.00 64.53 1j3c h PRO 6 Cb 1.24 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1j3c h PRO 6 CO 0.38 0.87 -0.19 -0.97 -0.23 0.00 0.00 178.00 177.86 1j3c h ASN 7 N 0.42 0.00 -3.22 1.44 -1.24 -2.04 -3.43 115.58 107.51 1j3c h ASN 7 Ca 0.03 0.00 -0.65 0.00 0.71 0.00 0.00 56.30 56.39 1j3c h ASN 7 Cb 0.95 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 39.85 1j3c h ASN 7 CO 0.08 0.19 -0.59 0.00 -1.29 0.00 0.00 177.43 175.83 1j3c s ALA 8 N -3.23 3.37 -0.13 1.57 0.00 -1.12 -5.06 121.76 117.16 1j3c s ALA 8 Ca 0.05 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 50.95 1j3c s ALA 8 Cb 0.07 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1j3c s ALA 8 CO 0.68 0.38 1.47 -1.25 0.00 0.00 0.00 175.76 177.04 1j3c s PRO 9 N -0.25 4.15 0.00 0.00 0.04 -1.26 -3.89 135.00 133.80 1j3c s PRO 9 Ca 0.07 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1j3c s PRO 9 Cb -0.12 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1j3c s PRO 9 CO 0.02 -0.84 0.00 0.36 0.04 0.00 0.00 177.00 176.58 1j3c n LYS 10 N 6.96 -0.83 -1.80 4.56 0.00 -1.26 -4.90 118.16 120.89 1j3c n LYS 10 Ca 0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.08 1j3c n LYS 10 Cb 0.44 0.00 0.04 0.00 -0.00 0.00 0.00 35.03 35.51 1j3c n LYS 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1j3c s ARG 11 N -2.07 3.19 -0.06 -1.58 3.00 -1.26 -4.92 118.95 115.24 1j3c s ARG 11 Ca 0.00 2.23 -0.30 0.00 0.00 0.00 0.00 55.73 57.66 1j3c s ARG 11 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 34.95 32.63 1j3c s ARG 11 CO 0.00 -1.15 1.26 -1.25 0.00 0.00 0.00 175.30 174.16 1j3c s PRO 12 N -2.88 4.32 0.96 3.54 0.04 -1.26 -5.03 135.00 134.70 1j3c s PRO 12 Ca 0.71 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 63.34 1j3c s PRO 12 Cb -0.40 -3.60 0.22 0.00 0.04 0.00 0.00 34.50 30.76 1j3c s PRO 12 CO 0.48 -0.52 1.31 -0.35 0.04 0.00 0.00 177.00 177.96 1j3c n PRO 13 N 5.46 -1.18 -2.70 0.56 -0.04 -1.26 -5.02 135.00 130.82 1j3c n PRO 13 Ca 0.12 -2.17 -0.06 0.00 -0.04 0.00 0.00 63.50 61.35 1j3c n PRO 13 Cb 0.45 -1.31 0.09 0.00 -0.04 0.00 0.00 33.50 32.70 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 -3.76 -1.81 0.00 3.54 2.88 -1.26 -4.78 113.62 108.42 1j3c n SER 14 Ca 0.17 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 55.03 1j3c n SER 14 Cb 0.59 1.46 0.00 0.00 -0.75 0.00 0.00 64.21 65.51 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 0.67 0.00 -0.22 -1.46 0.00 -1.26 -4.16 120.51 114.08 1j3c n ALA 15 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.48 1j3c n ALA 15 Cb 0.72 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.31 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 0.13 0.00 0.00 3.04 -1.97 0.36 116.94 118.50 1j3c h PHE 16 Ca 0.00 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 1j3c h PHE 16 Cb 0.00 0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.56 1j3c h PHE 16 CO 0.00 -0.12 -0.01 0.35 -2.02 0.00 0.00 178.31 176.51 1j3c h PHE 17 N 0.20 0.00 0.12 0.41 3.04 -1.95 -1.40 116.94 117.35 1j3c h PHE 17 Ca 0.37 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 62.01 1j3c h PHE 17 Cb 0.61 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 1j3c h PHE 17 CO -0.31 0.01 -1.51 -0.07 -2.02 0.00 0.00 178.31 174.42 1j3c h LEU 18 N 0.00 0.39 0.11 0.59 3.38 -0.71 -3.19 115.31 115.88 1j3c h LEU 18 Ca -0.00 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1j3c h LEU 18 Cb 0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1j3c h LEU 18 CO 0.00 1.44 -0.05 0.15 0.09 0.00 0.00 178.44 180.07 1j3c h PHE 19 N 0.07 -0.14 0.28 1.13 3.57 -0.46 -2.90 116.94 118.49 1j3c h PHE 19 Ca -0.23 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1j3c h PHE 19 Cb 2.01 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.78 1j3c h PHE 19 CO 0.06 0.35 -0.28 0.00 -2.23 0.00 0.00 178.31 176.21 1j3c h SER 21 N -0.59 0.00 0.10 0.00 0.87 -1.67 -0.93 113.55 111.33 1j3c h SER 21 Ca -0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1j3c h SER 21 Cb 0.55 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1j3c h SER 21 CO -0.06 0.00 -1.95 -0.62 -0.53 0.00 0.00 176.83 173.67 1j3c n GLU 22 N -3.53 0.66 -0.69 2.24 -0.58 -0.57 -4.30 120.64 113.87 1j3c n GLU 22 Ca 0.02 -0.14 0.09 0.00 -0.42 0.00 0.00 57.16 56.70 1j3c n GLU 22 Cb 0.39 -1.55 0.38 0.00 -0.57 0.00 0.00 31.44 30.08 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 -2.36 1.65 -0.05 -0.32 4.02 0.21 -4.46 117.16 115.86 1j3c n TYR 23 Ca -0.07 -0.64 -0.22 0.00 -0.01 0.00 0.00 57.90 56.97 1j3c n TYR 23 Cb 0.64 -0.31 -0.13 0.00 -0.02 0.00 0.00 39.34 39.52 1j3c n TYR 23 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1j3c n ARG 24 N 1.05 0.69 0.23 -0.72 1.74 -0.86 -4.05 116.66 114.75 1j3c n ARG 24 Ca 0.27 0.32 0.16 0.00 -0.77 0.00 0.00 57.85 57.82 1j3c n ARG 24 Cb 0.97 -1.68 0.71 0.00 -1.02 0.00 0.00 32.46 31.45 1j3c n ARG 24 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1j3c h PRO 25 N -0.25 0.00 -0.02 5.56 0.13 -1.84 -2.67 132.00 132.91 1j3c h PRO 25 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1j3c h PRO 25 Cb 1.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.96 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 0.06 -0.40 0.86 3.11 -1.82 -3.00 116.57 115.37 1j3c h LYS 26 Ca 0.00 -0.04 0.11 0.00 -2.81 0.00 0.00 60.65 57.91 1j3c h LYS 26 Cb 0.33 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.55 1j3c h LYS 26 CO 0.00 0.63 0.29 0.82 -2.81 0.00 0.00 179.45 178.38 1j3c h ILE 27 N -0.51 0.81 -0.07 2.00 1.08 -1.62 -1.57 117.51 117.64 1j3c h ILE 27 Ca -0.00 -0.01 -0.19 0.00 -0.39 0.00 0.00 64.86 64.28 1j3c h ILE 27 Cb 0.63 0.79 -0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1j3c h ILE 27 CO 0.01 0.00 -0.76 0.11 -0.69 0.00 0.00 178.15 176.82 1j3c h LYS 28 N 0.01 0.39 0.00 2.37 1.79 -1.43 0.85 116.57 120.56 1j3c h LYS 28 Ca 0.19 -0.34 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 1j3c h LYS 28 Cb 0.75 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1j3c h LYS 28 CO -0.00 0.98 -0.06 1.03 -1.08 0.00 0.00 179.45 180.32 1j3c h SER 29 N 0.26 0.00 0.00 0.86 0.87 -1.15 -3.11 113.55 111.29 1j3c h SER 29 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1j3c h SER 29 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1j3c h SER 29 CO 0.13 0.06 -0.74 -0.62 -0.53 0.00 0.00 176.83 175.13 1j3c n GLU 30 N -3.62 2.24 -3.81 2.24 -0.58 -1.15 -4.91 120.64 111.04 1j3c n GLU 30 Ca -0.02 -0.01 -0.30 0.00 -0.42 0.00 0.00 57.16 56.41 1j3c n GLU 30 Cb 0.16 -0.89 -0.14 0.00 -0.57 0.00 0.00 31.44 30.01 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 -1.80 2.39 0.14 -0.32 3.76 0.30 -4.96 115.29 114.81 1j3c s HIS 31 Ca -0.00 -2.41 -0.04 0.00 -0.15 0.00 0.00 55.06 52.46 1j3c s HIS 31 Cb 0.01 -2.15 -0.05 0.00 1.11 0.00 0.00 32.58 31.50 1j3c s HIS 31 CO 0.07 -0.84 1.34 -1.00 -0.85 0.00 0.00 174.74 173.47 1j3c h PRO 32 N 7.32 0.44 0.00 8.40 0.13 -1.80 -3.10 132.00 143.40 1j3c h PRO 32 Ca -0.07 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1j3c h PRO 32 Cb 0.97 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1j3c h PRO 32 CO 0.51 1.08 0.00 0.78 -0.23 0.00 0.00 178.00 180.14 1j3c h GLY 33 N 1.19 0.00 -7.15 1.56 0.00 -1.93 -3.42 103.07 93.32 1j3c h GLY 33 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1j3c h GLY 33 CO 0.15 0.00 0.20 1.04 0.00 0.00 0.00 176.54 177.93 1j3c n LEU 34 N -2.95 1.05 -4.70 3.11 7.99 -1.17 -4.91 117.00 115.42 1j3c n LEU 34 Ca 0.02 -1.97 -0.30 0.00 -0.01 0.00 0.00 56.01 53.76 1j3c n LEU 34 Cb 0.40 -1.55 0.21 0.00 -0.11 0.00 0.00 43.42 42.36 1j3c n LEU 34 CO 0.29 -3.06 0.69 -0.55 -1.51 0.00 0.00 177.39 173.26 1j3c s SER 35 N 8.15 1.91 0.53 -1.43 0.15 -1.26 -4.49 113.70 117.26 1j3c s SER 35 Ca 0.81 0.65 0.22 0.00 0.70 0.00 0.00 55.95 58.34 1j3c s SER 35 Cb -0.11 -0.94 1.37 0.00 -1.71 0.00 0.00 66.02 64.62 1j3c s SER 35 CO 0.16 -3.52 2.05 0.40 1.20 0.00 0.00 173.24 173.53 1j3c h ILE 36 N -2.17 0.81 0.48 6.45 1.08 -1.95 0.48 117.51 122.69 1j3c h ILE 36 Ca -0.47 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 1j3c h ILE 36 Cb 1.29 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.87 1j3c h ILE 36 CO 0.41 0.00 -0.25 1.23 -0.69 0.00 0.00 178.15 178.85 1j3c h GLY 37 N 0.00 -0.76 1.85 5.37 0.00 -1.97 0.33 103.07 107.88 1j3c h GLY 37 Ca 0.16 0.29 -0.14 0.00 0.00 0.00 0.00 47.33 47.65 1j3c h GLY 37 CO -0.00 -0.27 -0.58 -0.55 0.00 0.00 0.00 176.54 175.13 1j3c h ASP 38 N -0.67 0.18 0.15 0.19 3.32 -1.84 -2.96 116.42 114.79 1j3c h ASP 38 Ca -0.07 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 1j3c h ASP 38 Cb 0.52 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1j3c h ASP 38 CO 0.10 0.72 -0.30 0.74 -1.72 0.00 0.00 179.24 178.78 1j3c h THR 39 N 0.12 1.26 -0.13 0.35 2.02 -0.01 0.84 112.91 117.35 1j3c h THR 39 Ca -0.00 -1.23 -0.17 0.00 0.77 0.00 0.00 66.41 65.78 1j3c h THR 39 Cb 1.06 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1j3c h THR 39 CO 0.09 0.37 -0.62 0.00 0.37 0.00 0.00 175.52 175.72 1j3c h ALA 40 N 1.49 0.68 0.00 6.16 0.00 -0.19 -3.24 119.26 124.16 1j3c h ALA 40 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1j3c h ALA 40 Cb 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1j3c h ALA 40 CO 0.05 0.72 -1.14 0.36 0.00 0.00 0.00 179.25 179.24 1j3c n LYS 41 N -3.91 0.17 -0.05 0.00 2.85 -1.04 -4.14 118.16 112.04 1j3c n LYS 41 Ca -0.04 -0.04 0.09 0.00 -1.05 0.00 0.00 58.31 57.28 1j3c n LYS 41 Cb 0.64 -1.52 0.40 0.00 -0.65 0.00 0.00 35.03 33.90 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 -1.73 1.40 -0.10 -1.58 3.00 0.29 -3.64 118.16 115.79 1j3c n LYS 42 Ca 0.02 -0.60 -0.12 0.00 -0.00 0.00 0.00 58.31 57.62 1j3c n LYS 42 Cb 0.39 -1.31 -0.13 0.00 0.00 0.00 0.00 35.03 33.98 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 -0.16 1.05 0.18 3.14 4.77 -1.24 -4.32 117.00 120.42 1j3c n LEU 43 Ca 0.14 -0.04 0.03 0.00 -0.03 0.00 0.00 56.01 56.10 1j3c n LEU 43 Cb 0.20 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.68 1j3c n LEU 43 CO 0.11 0.61 0.78 1.23 -1.33 0.00 0.00 177.39 178.79 1j3c h GLY 44 N 3.00 0.04 0.26 -0.72 0.00 -1.77 -2.15 103.07 101.72 1j3c h GLY 44 Ca -0.51 -0.03 0.15 0.00 0.00 0.00 0.00 47.33 46.94 1j3c h GLY 44 CO -0.01 0.03 0.52 -2.09 0.00 0.00 0.00 176.54 174.99 1j3c h GLU 45 N 0.03 0.72 0.12 4.80 4.22 -1.75 -0.40 114.58 122.32 1j3c h GLU 45 Ca 0.00 -0.04 -0.30 0.00 0.08 0.00 0.00 59.36 59.10 1j3c h GLU 45 Cb 0.55 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1j3c h GLU 45 CO 0.04 0.47 -1.58 0.52 -2.18 0.00 0.00 179.01 176.29 1j3c h MET 46 N 0.74 0.26 -0.16 1.92 2.86 -1.75 -3.25 114.93 115.54 1j3c h MET 46 Ca 0.50 -0.44 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1j3c h MET 46 Cb 0.68 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1j3c h MET 46 CO -0.34 1.21 0.25 2.35 1.06 0.00 0.00 176.91 181.43 1j3c h TRP 47 N -0.21 0.00 0.10 -0.22 2.91 -1.03 -0.71 115.95 116.79 1j3c h TRP 47 Ca -0.34 0.00 -0.31 0.00 1.13 0.00 0.00 58.89 59.37 1j3c h TRP 47 Cb 1.84 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.48 1j3c h TRP 47 CO 0.11 0.00 -1.62 1.03 -1.03 0.00 0.00 178.44 176.94 1j3c h SER 48 N 0.00 0.35 -0.18 2.65 0.87 -1.19 -3.32 113.55 112.72 1j3c h SER 48 Ca 0.08 -0.54 -0.04 0.00 -1.23 0.00 0.00 61.79 60.06 1j3c h SER 48 Cb 0.57 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1j3c h SER 48 CO -0.00 1.46 0.00 -0.33 -0.53 0.00 0.00 176.83 177.42 1j3c h GLU 49 N 0.06 0.44 -7.12 2.24 5.08 -1.18 -3.43 114.58 110.67 1j3c h GLU 49 Ca -0.27 -0.08 -0.54 0.00 -1.00 0.00 0.00 59.36 57.47 1j3c h GLU 49 Cb 2.02 -0.07 0.14 0.00 0.50 0.00 0.00 28.75 31.33 1j3c h GLU 49 CO 0.14 0.47 0.46 -0.65 -1.00 0.00 0.00 179.01 178.43 1j3c s GLN 50 N -4.98 2.63 0.00 2.33 -1.52 -0.94 -5.04 119.66 112.14 1j3c s GLN 50 Ca -0.07 1.86 0.00 0.00 -1.95 0.00 0.00 55.36 55.20 1j3c s GLN 50 Cb 0.16 -1.88 0.00 0.00 -0.22 0.00 0.00 33.01 31.07 1j3c s GLN 50 CO 0.75 -1.48 0.00 -1.13 -0.25 0.00 0.00 175.29 173.18 1j3c n SER 51 N -2.00 0.09 -2.91 5.90 3.41 -1.26 -4.94 113.62 111.91 1j3c n SER 51 Ca 0.14 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.44 1j3c n SER 51 Cb 0.49 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 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 7.03 0.01 7.33 0.00 -1.26 -4.02 120.51 126.60 1j3c n ALA 52 Ca 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 53.44 50.32 1j3c n ALA 52 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 16.57 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 2.73 0.00 0.22 0.00 4.81 -1.26 -4.65 118.16 120.02 1j3c n LYS 53 Ca 0.64 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 58.16 1j3c n LYS 53 Cb 0.45 -0.16 0.52 0.00 0.02 0.00 0.00 35.03 35.87 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 0.42 3.14 3.58 -1.96 -3.04 116.42 118.57 1j3c h ASP 54 Ca 0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 1j3c h ASP 54 Cb 0.28 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.33 1j3c h ASP 54 CO 0.00 0.24 -1.49 0.50 -2.88 0.00 0.00 179.24 175.61 1j3c h LYS 55 N 0.00 0.33 -0.79 0.28 3.64 -1.88 -3.25 116.57 114.91 1j3c h LYS 55 Ca -0.00 -0.56 0.14 0.00 -1.27 0.00 0.00 60.65 58.96 1j3c h LYS 55 Cb 0.57 0.21 -0.14 0.00 -0.41 0.00 0.00 32.23 32.46 1j3c h LYS 55 CO 0.03 1.23 -0.30 1.96 -2.27 0.00 0.00 179.45 180.10 1j3c h GLN 56 N 0.09 -0.06 0.12 1.90 4.20 -1.79 1.27 115.11 120.83 1j3c h GLN 56 Ca -0.23 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.20 1j3c h GLN 56 Cb 2.05 0.01 0.02 0.00 0.30 0.00 0.00 27.48 29.86 1j3c h GLN 56 CO 0.19 -0.04 -1.21 -1.00 -0.67 0.00 0.00 178.83 176.11 1j3c h PRO 57 N -0.06 0.46 0.00 1.46 0.13 -1.73 -3.32 132.00 128.95 1j3c h PRO 57 Ca 0.32 -0.65 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1j3c h PRO 57 Cb 0.58 0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1j3c h PRO 57 CO -0.83 1.28 -0.24 0.98 -0.23 0.00 0.00 178.00 178.96 1j3c n TYR 58 N -3.69 0.06 0.06 1.56 9.36 -0.72 -3.84 117.16 119.94 1j3c n TYR 58 Ca -0.11 0.02 -0.02 0.00 3.32 0.00 0.00 57.90 61.11 1j3c n TYR 58 Cb 0.98 -0.41 -0.07 0.00 -0.63 0.00 0.00 39.34 39.21 1j3c n TYR 58 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1j3c h GLU 59 N 0.00 0.00 0.00 2.98 -0.00 0.15 -3.31 114.58 114.40 1j3c h GLU 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1j3c h GLU 59 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.27 1j3c h GLU 59 CO 0.00 0.50 0.00 -0.56 -0.00 0.00 0.00 179.01 178.95 1j3c h GLN 60 N 0.00 0.00 -0.44 1.06 3.07 -1.67 -3.23 115.11 113.90 1j3c h GLN 60 Ca -0.11 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.58 1j3c h GLN 60 Cb 1.62 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.16 1j3c h GLN 60 CO 0.07 0.00 0.08 -0.22 0.09 0.00 0.00 178.83 178.85 1j3c h LYS 61 N 0.00 0.72 0.00 0.06 3.64 -1.73 -2.33 116.57 116.92 1j3c h LYS 61 Ca 0.00 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1j3c h LYS 61 Cb 0.70 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1j3c h LYS 61 CO 0.00 0.74 0.00 0.00 -2.27 0.00 0.00 179.45 177.92 1j3c n ALA 62 N -2.38 2.07 -0.32 5.00 0.00 -1.22 -3.45 120.51 120.21 1j3c n ALA 62 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 1j3c n ALA 62 Cb 0.23 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.35 1j3c n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j3c h ALA 63 N 2.59 1.11 0.39 0.00 0.00 -1.46 -2.24 119.26 119.65 1j3c h ALA 63 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1j3c h ALA 63 Cb 0.53 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1j3c h ALA 63 CO 0.00 0.58 -0.19 0.87 0.00 0.00 0.00 179.25 180.51 1j3c h LYS 64 N 1.20 -0.51 -0.59 0.00 1.79 -1.65 -3.16 116.57 113.66 1j3c h LYS 64 Ca 0.31 0.03 0.17 0.00 -2.18 0.00 0.00 60.65 58.99 1j3c h LYS 64 Cb -0.04 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1j3c h LYS 64 CO -0.06 -0.34 0.81 -0.07 -1.08 0.00 0.00 179.45 178.72 1j3c h LEU 65 N -0.90 0.00 -0.13 2.94 4.07 -1.70 0.23 115.31 119.82 1j3c h LEU 65 Ca -0.05 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.82 1j3c h LEU 65 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1j3c h LEU 65 CO 0.09 0.00 -0.26 0.50 -1.08 0.00 0.00 178.44 177.69 1j3c h LYS 66 N 0.00 0.41 0.52 1.13 1.63 -1.37 -2.02 116.57 116.88 1j3c h LYS 66 Ca 0.28 -0.26 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 1j3c h LYS 66 Cb 1.90 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 33.57 1j3c h LYS 66 CO -0.00 0.86 -0.25 1.49 -3.45 0.00 0.00 179.45 178.09 1j3c h GLU 67 N 0.01 -0.68 -0.28 1.90 4.81 -0.56 -1.31 114.58 118.47 1j3c h GLU 67 Ca 0.01 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1j3c h GLU 67 Cb 0.84 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1j3c h GLU 67 CO 0.06 -0.37 0.32 0.87 -0.73 0.00 0.00 179.01 179.16 1j3c h LYS 68 N -1.01 0.00 0.04 1.92 1.57 -1.56 0.14 116.57 117.66 1j3c h LYS 68 Ca -0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1j3c h LYS 68 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1j3c h LYS 68 CO 0.12 0.00 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.06 1j3c h TYR 69 N 0.00 -0.05 -0.04 -1.35 5.03 -1.13 -1.93 116.97 117.51 1j3c h TYR 69 Ca 0.13 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.45 1j3c h TYR 69 Cb 0.77 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 39.07 1j3c h TYR 69 CO 0.00 -0.03 0.08 0.93 -1.32 0.00 0.00 178.16 177.82 1j3c h GLU 70 N -0.39 0.00 0.00 1.82 5.08 -1.04 0.54 114.58 120.58 1j3c h GLU 70 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1j3c h GLU 70 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1j3c h GLU 70 CO 0.01 0.00 -1.30 1.63 -1.00 0.00 0.00 179.01 178.35 1j3c n LYS 71 N -3.41 0.55 -0.04 2.33 5.02 0.45 -4.23 118.16 118.84 1j3c n LYS 71 Ca -0.02 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.25 1j3c n LYS 71 Cb 0.16 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 33.40 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 -2.40 2.51 0.04 4.39 2.03 -0.62 -4.56 116.55 117.94 1j3c n ASP 72 Ca -0.01 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.28 1j3c n ASP 72 Cb 0.53 0.97 0.23 0.00 -0.72 0.00 0.00 41.12 42.13 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 0.00 1.26 0.46 5.18 6.09 -0.15 -1.15 117.51 129.21 1j3c h ILE 73 Ca -0.19 -1.22 -0.02 0.00 -1.37 0.00 0.00 64.86 62.06 1j3c h ILE 73 Cb 1.29 1.36 0.00 0.00 0.47 0.00 0.00 36.82 39.94 1j3c h ILE 73 CO 0.01 0.38 -0.22 0.00 -3.07 0.00 0.00 178.15 175.25 1j3c h ALA 74 N 1.37 -0.62 0.00 0.18 0.00 -1.76 -2.09 119.26 116.35 1j3c h ALA 74 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1j3c h ALA 74 Cb 0.63 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1j3c h ALA 74 CO 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 179.25 178.45 1j3c h ALA 75 N -0.07 1.00 -0.33 0.00 0.00 -1.79 -2.72 119.26 115.34 1j3c h ALA 75 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1j3c h ALA 75 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1j3c h ALA 75 CO 0.10 0.00 -0.48 -0.92 0.00 0.00 0.00 179.25 177.95 1j3c h TYR 76 N 0.00 1.12 0.00 0.00 3.20 -0.70 -3.40 116.97 117.19 1j3c h TYR 76 Ca 0.00 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.50 1j3c h TYR 76 Cb 0.59 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1j3c h TYR 76 CO 0.00 1.21 0.00 0.54 -1.64 0.00 0.00 178.16 178.27 1j3c n ARG 77 N -4.03 0.00 -1.83 1.82 1.74 -0.83 -4.97 116.66 108.57 1j3c n ARG 77 Ca -0.03 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.04 1j3c n ARG 77 Cb 0.60 -0.43 0.04 0.00 -1.02 0.00 0.00 32.46 31.65 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 -1.39 0.02 1.64 7.54 0.00 -1.22 -5.13 120.51 121.97 1j3c n ALA 78 Ca 0.00 -0.38 0.15 0.00 0.00 0.00 0.00 53.44 53.20 1j3c n ALA 78 Cb 0.00 -0.59 0.64 0.00 0.00 0.00 0.00 19.45 19.50 1j3c n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13