#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 2.27 -0.16 2.12 3.01 -1.26 -5.14 119.74 120.59 1j3c s LYS 2 Ca 0.00 -1.46 -0.30 0.00 -1.01 0.00 0.00 55.97 53.19 1j3c s LYS 2 Cb 0.00 -2.14 0.13 0.00 -1.01 0.00 0.00 37.83 34.82 1j3c s LYS 2 CO 0.00 0.32 1.03 0.21 0.51 0.00 0.00 175.35 177.42 1j3c s LYS 3 N -3.69 0.55 0.00 1.68 2.20 -1.26 -5.09 119.74 114.13 1j3c s LYS 3 Ca 0.32 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1j3c s LYS 3 Cb -0.05 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1j3c s LYS 3 CO 0.20 -0.18 0.90 1.63 -0.36 0.00 0.00 175.35 177.54 1j3c n LYS 4 N 0.56 0.00 -3.49 4.03 4.01 -1.26 -4.97 118.16 117.04 1j3c n LYS 4 Ca -0.08 0.42 -0.12 0.00 -0.51 0.00 0.00 58.31 58.02 1j3c n LYS 4 Cb 0.58 -1.41 -0.03 0.00 -0.51 0.00 0.00 35.03 33.66 1j3c n LYS 4 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1j3c s ASP 5 N -2.02 -0.49 0.01 4.39 1.01 -1.26 -5.02 116.67 113.29 1j3c s ASP 5 Ca 0.00 0.19 -0.21 0.00 0.71 0.00 0.00 52.55 53.23 1j3c s ASP 5 Cb 0.00 0.47 -0.19 0.00 1.01 0.00 0.00 42.92 44.22 1j3c s ASP 5 CO 0.00 -0.70 1.21 1.55 0.21 0.00 0.00 175.17 177.44 1j3c h PRO 6 N 2.26 0.31 -0.01 8.23 0.13 -2.05 -3.12 132.00 137.74 1j3c h PRO 6 Ca -0.27 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1j3c h PRO 6 Cb 1.24 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1j3c h PRO 6 CO 0.35 0.86 0.00 -1.71 -0.23 0.00 0.00 178.00 177.26 1j3c n ASN 7 N -4.48 0.21 -4.85 1.44 5.15 -1.26 -4.82 115.26 106.65 1j3c n ASN 7 Ca -0.08 -1.32 -0.36 0.00 -0.60 0.00 0.00 54.58 52.22 1j3c n ASN 7 Cb 0.46 -0.01 -0.06 0.00 -0.53 0.00 0.00 39.78 39.64 1j3c n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1j3c s ALA 8 N -1.98 3.72 -1.08 5.20 0.00 -1.18 -5.00 121.76 121.43 1j3c s ALA 8 Ca 0.35 -0.31 -0.22 0.00 0.00 0.00 0.00 51.96 51.78 1j3c s ALA 8 Cb 0.16 -2.32 0.04 0.00 0.00 0.00 0.00 23.12 21.01 1j3c s ALA 8 CO 0.27 0.52 1.57 -1.25 0.00 0.00 0.00 175.76 176.88 1j3c s PRO 9 N -1.46 3.57 -0.28 0.00 0.04 -1.26 -4.75 135.00 130.86 1j3c s PRO 9 Ca 0.28 -1.26 0.11 0.00 0.04 0.00 0.00 61.00 60.17 1j3c s PRO 9 Cb -0.15 -5.37 0.55 0.00 0.04 0.00 0.00 34.50 29.56 1j3c s PRO 9 CO 0.15 -2.36 1.53 0.36 0.04 0.00 0.00 177.00 176.72 1j3c n LYS 10 N 8.76 2.36 -3.20 4.56 2.85 -1.26 -4.83 118.16 127.40 1j3c n LYS 10 Ca 0.38 -3.06 0.01 0.00 -1.05 0.00 0.00 58.31 54.59 1j3c n LYS 10 Cb 0.49 -1.90 -0.01 0.00 -0.65 0.00 0.00 35.03 32.97 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 -3.11 0.69 -0.34 -1.58 3.52 -1.26 -5.11 118.95 111.76 1j3c s ARG 11 Ca 0.46 0.07 -0.29 0.00 -0.13 0.00 0.00 55.73 55.84 1j3c s ARG 11 Cb 0.40 0.11 0.01 0.00 -1.56 0.00 0.00 34.95 33.91 1j3c s ARG 11 CO 0.05 -1.13 1.25 -1.25 -0.81 0.00 0.00 175.30 173.42 1j3c s PRO 12 N 2.27 3.88 0.69 5.12 0.04 -1.26 -5.02 135.00 140.72 1j3c s PRO 12 Ca 0.13 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.16 1j3c s PRO 12 Cb -0.07 -3.88 0.01 0.00 0.04 0.00 0.00 34.50 30.61 1j3c s PRO 12 CO -0.16 -1.17 1.07 -1.25 0.04 0.00 0.00 177.00 175.53 1j3c s PRO 13 N 4.21 2.85 -0.41 0.56 0.04 -1.26 -5.04 135.00 135.95 1j3c s PRO 13 Ca 0.54 0.38 0.09 0.00 0.04 0.00 0.00 61.00 62.05 1j3c s PRO 13 Cb -0.14 -2.06 0.37 0.00 0.04 0.00 0.00 34.50 32.71 1j3c s PRO 13 CO 0.24 -0.99 1.21 -1.13 0.04 0.00 0.00 177.00 176.37 1j3c n SER 14 N -2.94 -1.60 0.00 6.66 3.41 -1.26 -4.76 113.62 113.13 1j3c n SER 14 Ca 0.07 -2.93 0.00 0.00 -0.26 0.00 0.00 58.87 55.74 1j3c n SER 14 Cb 0.57 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.62 1j3c n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j3c n ALA 15 N -0.18 0.00 -0.19 7.33 0.00 -1.26 -4.15 120.51 122.06 1j3c n ALA 15 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 1j3c n ALA 15 Cb 0.79 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.40 -1.00 0.00 3.57 -1.96 0.19 116.94 117.34 1j3c h PHE 16 Ca 0.00 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.61 1j3c h PHE 16 Cb 0.00 0.26 -0.07 0.00 2.79 0.00 0.00 35.95 38.94 1j3c h PHE 16 CO 0.00 -0.27 0.65 0.35 -2.23 0.00 0.00 178.31 176.81 1j3c h PHE 17 N -0.03 1.20 -0.42 0.41 3.57 -1.96 -0.10 116.94 119.62 1j3c h PHE 17 Ca 0.27 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 1j3c h PHE 17 Cb 0.45 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1j3c h PHE 17 CO -0.50 0.64 0.11 -0.07 -2.23 0.00 0.00 178.31 176.26 1j3c h LEU 18 N 1.19 0.63 0.13 0.59 3.38 -1.04 0.15 115.31 120.33 1j3c h LEU 18 Ca 0.43 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1j3c h LEU 18 Cb 0.14 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1j3c h LEU 18 CO -0.17 0.69 -0.06 0.15 0.09 0.00 0.00 178.44 179.14 1j3c h PHE 19 N 0.54 -0.16 0.00 1.13 3.57 -0.26 -2.82 116.94 118.94 1j3c h PHE 19 Ca 0.13 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1j3c h PHE 19 Cb 0.30 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1j3c h PHE 19 CO 0.02 0.16 -0.05 0.00 -2.23 0.00 0.00 178.31 176.21 1j3c h SER 21 N 0.00 0.00 0.00 0.00 0.02 -0.44 -3.36 113.55 109.77 1j3c h SER 21 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1j3c h SER 21 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1j3c h SER 21 CO 0.01 0.04 -0.28 -1.84 -1.14 0.00 0.00 176.83 173.62 1j3c n GLU 22 N -3.13 3.49 -0.30 3.45 0.28 -0.98 -4.75 120.64 118.70 1j3c n GLU 22 Ca 0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.05 1j3c n GLU 22 Cb 0.40 -0.54 0.16 0.00 1.43 0.00 0.00 31.44 32.90 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 -0.78 0.72 -0.06 -1.84 4.02 -0.25 -4.19 117.16 114.79 1j3c n TYR 23 Ca 0.00 -0.28 -0.22 0.00 -0.01 0.00 0.00 57.90 57.39 1j3c n TYR 23 Cb 0.00 -0.17 -0.13 0.00 -0.02 0.00 0.00 39.34 39.02 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 0.34 0.67 0.15 -0.72 1.74 -1.26 -3.96 116.66 113.62 1j3c n ARG 24 Ca 0.12 0.35 0.12 0.00 -0.77 0.00 0.00 57.85 57.67 1j3c n ARG 24 Cb 0.51 -1.68 0.55 0.00 -1.02 0.00 0.00 32.46 30.82 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 -0.39 0.00 0.14 5.56 0.13 -1.93 -2.69 132.00 132.81 1j3c h PRO 25 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1j3c h PRO 25 Cb 1.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.87 1j3c h PRO 25 CO -0.08 0.00 -0.07 -0.22 -0.23 0.00 0.00 178.00 177.40 1j3c h LYS 26 N 0.00 -0.18 -0.53 0.86 3.11 -1.79 -3.08 116.57 114.96 1j3c h LYS 26 Ca 0.00 0.01 0.15 0.00 -2.81 0.00 0.00 60.65 58.01 1j3c h LYS 26 Cb 0.26 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.51 1j3c h LYS 26 CO 0.00 0.28 0.56 0.82 -2.81 0.00 0.00 179.45 178.29 1j3c h ILE 27 N -0.87 0.34 0.03 2.00 1.08 -1.61 0.13 117.51 118.60 1j3c h ILE 27 Ca -0.02 0.00 -0.21 0.00 -0.39 0.00 0.00 64.86 64.24 1j3c h ILE 27 Cb 0.53 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.83 1j3c h ILE 27 CO 0.03 0.00 -0.98 0.11 -0.69 0.00 0.00 178.15 176.62 1j3c h LYS 28 N 0.00 0.11 0.00 2.37 1.79 -1.47 0.41 116.57 119.78 1j3c h LYS 28 Ca 0.25 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1j3c h LYS 28 Cb 1.36 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.06 1j3c h LYS 28 CO -0.00 0.99 -0.07 1.03 -1.08 0.00 0.00 179.45 180.32 1j3c h SER 29 N 0.04 0.00 0.00 0.86 0.87 -0.66 -3.19 113.55 111.47 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 1.67 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 1j3c h SER 29 CO 0.14 0.07 -0.39 -0.62 -0.53 0.00 0.00 176.83 175.50 1j3c n GLU 30 N -3.29 4.34 -3.73 2.24 -0.58 -1.20 -4.91 120.64 113.51 1j3c n GLU 30 Ca -0.01 -0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.43 1j3c n GLU 30 Cb 0.26 -0.70 -0.14 0.00 -0.57 0.00 0.00 31.44 30.29 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 -1.41 1.90 0.14 -0.32 3.76 0.14 -4.96 115.29 114.55 1j3c s HIS 31 Ca 0.00 -2.12 -0.03 0.00 -0.15 0.00 0.00 55.06 52.75 1j3c s HIS 31 Cb 0.00 -1.82 -0.05 0.00 1.11 0.00 0.00 32.58 31.82 1j3c s HIS 31 CO 0.02 -0.83 1.34 -1.00 -0.85 0.00 0.00 174.74 173.42 1j3c h PRO 32 N 7.37 0.40 0.00 8.40 0.13 -1.80 -3.05 132.00 143.45 1j3c h PRO 32 Ca -0.06 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.47 1.06 0.00 0.78 -0.23 0.00 0.00 178.00 180.08 1j3c h GLY 33 N 1.28 0.00 -7.23 1.56 0.00 -1.93 -3.42 103.07 93.32 1j3c h GLY 33 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1j3c h GLY 33 CO 0.15 0.00 0.31 -0.10 0.00 0.00 0.00 176.54 176.90 1j3c n LEU 34 N -2.35 1.15 -4.90 3.11 -0.00 -1.15 -4.91 117.00 107.95 1j3c n LEU 34 Ca 0.04 -1.55 -0.29 0.00 -0.00 0.00 0.00 56.01 54.20 1j3c n LEU 34 Cb 0.36 -1.49 0.08 0.00 -0.00 0.00 0.00 43.42 42.37 1j3c n LEU 34 CO 0.27 -2.65 0.78 -0.94 -0.00 0.00 0.00 177.39 174.85 1j3c s SER 35 N 8.66 4.62 0.58 1.96 1.04 -1.26 -4.60 113.70 124.70 1j3c s SER 35 Ca 0.93 0.84 0.30 0.00 0.48 0.00 0.00 55.95 58.49 1j3c s SER 35 Cb -0.20 -1.37 1.43 0.00 0.10 0.00 0.00 66.02 65.97 1j3c s SER 35 CO 0.16 -1.84 1.81 0.40 0.98 0.00 0.00 173.24 174.75 1j3c h ILE 36 N -1.01 0.35 0.11 -1.02 1.08 -1.97 0.36 117.51 115.41 1j3c h ILE 36 Ca -0.46 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 1j3c h ILE 36 Cb 1.32 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 1j3c h ILE 36 CO 0.66 0.00 -0.06 1.23 -0.69 0.00 0.00 178.15 179.29 1j3c h GLY 37 N 0.00 -0.30 2.00 5.37 0.00 -1.97 -3.01 103.07 105.16 1j3c h GLY 37 Ca 0.33 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1j3c h GLY 37 CO -0.00 -0.11 0.00 -1.80 0.00 0.00 0.00 176.54 174.63 1j3c h ASP 38 N -0.16 0.00 -0.83 0.19 3.58 -1.77 -3.26 116.42 114.17 1j3c h ASP 38 Ca -0.02 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1j3c h ASP 38 Cb 0.12 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 1j3c h ASP 38 CO 0.02 0.00 0.46 0.74 -2.88 0.00 0.00 179.24 177.58 1j3c h THR 39 N 0.00 1.24 -0.50 2.25 2.02 -0.29 0.03 112.91 117.66 1j3c h THR 39 Ca 0.00 -0.60 -0.08 0.00 0.77 0.00 0.00 66.41 66.50 1j3c h THR 39 Cb 0.72 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1j3c h THR 39 CO 0.00 0.27 -0.01 0.00 0.37 0.00 0.00 175.52 176.15 1j3c h ALA 40 N 1.25 1.03 -0.06 6.16 0.00 -1.57 -2.63 119.26 123.43 1j3c h ALA 40 Ca 0.29 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1j3c h ALA 40 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1j3c h ALA 40 CO -0.05 0.60 -0.49 0.87 0.00 0.00 0.00 179.25 180.18 1j3c h LYS 41 N 0.79 0.16 0.00 0.00 6.56 -1.48 -2.55 116.57 120.05 1j3c h LYS 41 Ca 0.15 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 1j3c h LYS 41 Cb 0.49 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1j3c h LYS 41 CO 0.02 0.62 0.00 1.63 -2.06 0.00 0.00 179.45 179.67 1j3c n LYS 42 N -3.95 0.08 -0.05 3.15 4.01 -0.08 -1.42 118.16 119.89 1j3c n LYS 42 Ca -0.02 0.23 -0.05 0.00 -0.51 0.00 0.00 58.31 57.96 1j3c n LYS 42 Cb 0.53 -1.63 -0.15 0.00 -0.51 0.00 0.00 35.03 33.27 1j3c n LYS 42 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1j3c n LEU 43 N -1.78 0.26 -0.06 -0.35 4.77 -0.98 -4.18 117.00 114.68 1j3c n LEU 43 Ca 0.04 0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 55.93 1j3c n LEU 43 Cb 0.26 0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 41.53 1j3c n LEU 43 CO 0.20 0.35 -0.60 1.23 -1.33 0.00 0.00 177.39 177.25 1j3c h GLY 44 N 3.88 0.12 0.26 -0.72 0.00 -1.40 -2.96 103.07 102.26 1j3c h GLY 44 Ca -0.37 -0.31 0.24 0.00 0.00 0.00 0.00 47.33 46.89 1j3c h GLY 44 CO 0.04 0.27 0.62 -2.09 0.00 0.00 0.00 176.54 175.37 1j3c h GLU 45 N -0.61 0.14 0.14 4.80 4.81 -1.47 -1.19 114.58 121.21 1j3c h GLU 45 Ca -0.37 -0.01 -0.33 0.00 -0.13 0.00 0.00 59.36 58.52 1j3c h GLU 45 Cb 1.57 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.91 1j3c h GLU 45 CO -0.09 0.10 -1.74 0.52 -0.73 0.00 0.00 179.01 177.06 1j3c h MET 46 N 0.15 0.29 -0.06 1.92 2.86 -1.73 -3.12 114.93 115.24 1j3c h MET 46 Ca 0.44 -0.49 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1j3c h MET 46 Cb 1.49 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 33.33 1j3c h MET 46 CO -0.07 1.23 0.15 2.35 1.06 0.00 0.00 176.91 181.63 1j3c h TRP 47 N -0.07 0.00 0.04 -0.22 2.91 -1.07 -1.82 115.95 115.73 1j3c h TRP 47 Ca -0.37 0.00 -0.35 0.00 1.13 0.00 0.00 58.89 59.30 1j3c h TRP 47 Cb 1.95 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 30.55 1j3c h TRP 47 CO 0.10 0.00 -2.09 0.43 -1.03 0.00 0.00 178.44 175.84 1j3c n SER 48 N -3.32 1.40 -0.00 2.65 7.64 -0.70 -4.18 113.62 117.11 1j3c n SER 48 Ca -0.01 0.15 0.03 0.00 1.01 0.00 0.00 58.87 60.05 1j3c n SER 48 Cb 0.24 -0.24 0.38 0.00 -1.01 0.00 0.00 64.21 63.58 1j3c n SER 48 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1j3c h GLU 49 N 0.03 0.54 -7.00 1.43 5.08 -1.28 -3.43 114.58 109.94 1j3c h GLU 49 Ca -0.44 -0.06 -0.56 0.00 -1.00 0.00 0.00 59.36 57.29 1j3c h GLU 49 Cb 2.04 -0.11 0.16 0.00 0.50 0.00 0.00 28.75 31.34 1j3c h GLU 49 CO 0.04 0.43 0.35 1.04 -1.00 0.00 0.00 179.01 179.87 1j3c n GLN 50 N -4.41 0.98 0.00 2.33 1.13 -0.92 -5.02 117.38 111.47 1j3c n GLN 50 Ca 0.03 0.39 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 1j3c n GLN 50 Cb 0.12 -2.39 0.00 0.00 0.11 0.00 0.00 30.24 28.09 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 -1.53 0.00 -2.74 1.08 2.88 -1.26 -4.89 113.62 107.16 1j3c n SER 51 Ca 0.15 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.41 1j3c n SER 51 Cb 0.48 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.86 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 6.82 0.00 -1.46 0.00 -1.26 -3.92 120.51 117.69 1j3c n ALA 52 Ca 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.47 1j3c n ALA 52 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 16.78 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 2.34 0.00 -0.18 0.00 5.02 -1.26 -4.71 118.16 119.37 1j3c n LYS 53 Ca 0.58 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.85 1j3c n LYS 53 Cb 0.53 -0.50 0.20 0.00 -0.02 0.00 0.00 35.03 35.24 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 0.84 -0.49 4.39 3.58 -1.93 -2.21 116.42 120.61 1j3c h ASP 54 Ca 0.00 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 1j3c h ASP 54 Cb 0.16 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1j3c h ASP 54 CO 0.00 0.73 0.02 1.17 -2.88 0.00 0.00 179.24 178.28 1j3c n LYS 55 N -4.33 4.13 -0.07 0.28 4.81 -1.26 -3.93 118.16 117.79 1j3c n LYS 55 Ca 0.06 -2.58 -0.05 0.00 -0.87 0.00 0.00 58.31 54.86 1j3c n LYS 55 Cb 0.15 -2.13 -0.02 0.00 0.02 0.00 0.00 35.03 33.05 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 3.18 0.00 0.00 1.64 4.20 -1.68 -3.22 115.11 119.23 1j3c h GLN 56 Ca 0.02 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 1j3c h GLN 56 Cb 1.75 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.52 1j3c h GLN 56 CO 0.43 0.10 -0.53 -1.00 -0.67 0.00 0.00 178.83 177.16 1j3c h PRO 57 N -1.00 0.00 0.00 1.46 0.13 -1.78 -3.30 132.00 127.51 1j3c h PRO 57 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1j3c h PRO 57 Cb 0.50 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 1j3c h PRO 57 CO -0.02 0.36 -0.19 1.88 -0.23 0.00 0.00 178.00 179.81 1j3c h TYR 58 N 0.00 0.00 0.00 1.56 0.05 -1.77 -3.28 116.97 113.53 1j3c h TYR 58 Ca -0.02 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 1j3c h TYR 58 Cb 1.31 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.05 1j3c h TYR 58 CO 0.00 0.03 -0.43 1.05 -1.05 0.00 0.00 178.16 177.76 1j3c h GLU 59 N 0.00 0.00 0.00 4.88 -0.00 -1.63 -3.28 114.58 114.55 1j3c h GLU 59 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.26 1j3c h GLU 59 Cb 1.03 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.76 1j3c h GLU 59 CO 0.00 0.18 -0.76 -0.56 -0.00 0.00 0.00 179.01 177.87 1j3c h GLN 60 N 0.00 0.00 -0.23 1.06 3.07 -1.69 -3.27 115.11 114.05 1j3c h GLN 60 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 1j3c h GLN 60 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.72 1j3c h GLN 60 CO 0.02 0.33 0.11 -0.22 0.09 0.00 0.00 178.83 179.16 1j3c h LYS 61 N 0.00 0.33 0.00 0.06 3.64 -1.62 -2.00 116.57 116.99 1j3c h LYS 61 Ca -0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1j3c h LYS 61 Cb 1.35 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1j3c h LYS 61 CO 0.04 0.34 0.00 0.00 -2.27 0.00 0.00 179.45 177.57 1j3c n ALA 62 N -2.22 1.99 1.67 5.00 0.00 -1.25 -2.58 120.51 123.11 1j3c n ALA 62 Ca -0.03 -0.08 0.15 0.00 0.00 0.00 0.00 53.44 53.48 1j3c n ALA 62 Cb 0.10 -1.34 0.69 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 -1.47 2.65 -0.07 0.00 0.00 -0.75 -3.01 120.51 117.85 1j3c n ALA 63 Ca 0.06 -0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.11 1j3c n ALA 63 Cb 0.24 -1.32 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.41 1.50 0.06 0.00 4.76 -1.07 -4.39 118.16 118.62 1j3c n LYS 64 Ca 0.20 -0.02 0.12 0.00 -2.87 0.00 0.00 58.31 55.75 1j3c n LYS 64 Cb 0.25 -1.38 0.23 0.00 -1.84 0.00 0.00 35.03 32.30 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 -2.50 0.67 0.10 -0.35 4.32 -1.24 -3.70 117.00 114.29 1j3c n LEU 65 Ca -0.22 0.27 -0.05 0.00 -0.02 0.00 0.00 56.01 55.99 1j3c n LEU 65 Cb 0.93 -0.22 0.02 0.00 -1.62 0.00 0.00 43.42 42.53 1j3c n LEU 65 CO 0.31 -0.06 0.30 0.50 -1.22 0.00 0.00 177.39 177.23 1j3c h LYS 66 N 0.00 0.02 0.62 3.23 1.63 -1.74 -2.44 116.57 117.90 1j3c h LYS 66 Ca 0.00 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 1j3c h LYS 66 Cb 0.71 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.36 1j3c h LYS 66 CO 0.00 0.83 -0.30 0.93 -3.45 0.00 0.00 179.45 177.46 1j3c h GLU 67 N 0.01 -0.81 0.00 1.90 5.08 -1.77 -1.53 114.58 117.47 1j3c h GLU 67 Ca -0.01 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1j3c h GLU 67 Cb 1.45 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 1j3c h GLU 67 CO 0.11 -0.53 -0.01 0.87 -1.00 0.00 0.00 179.01 178.46 1j3c h LYS 68 N -1.21 0.00 0.21 2.33 1.79 -1.69 0.06 116.57 118.05 1j3c h LYS 68 Ca -0.09 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1j3c h LYS 68 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1j3c h LYS 68 CO 0.14 0.01 -0.10 -0.92 -1.08 0.00 0.00 179.45 177.50 1j3c h TYR 69 N 0.00 -0.26 0.00 -1.35 5.03 -1.33 0.12 116.97 119.17 1j3c h TYR 69 Ca -0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1j3c h TYR 69 Cb 0.02 0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.38 1j3c h TYR 69 CO 0.00 -0.16 0.00 0.93 -1.32 0.00 0.00 178.16 177.61 1j3c h GLU 70 N -0.56 0.00 0.00 1.82 5.08 -1.17 0.20 114.58 119.96 1j3c h GLU 70 Ca -0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1j3c h GLU 70 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1j3c h GLU 70 CO 0.05 0.00 -1.90 1.63 -1.00 0.00 0.00 179.01 177.79 1j3c n LYS 71 N -2.69 0.65 -0.07 2.33 5.02 -0.00 -4.30 118.16 119.11 1j3c n LYS 71 Ca -0.02 -0.14 -0.08 0.00 -2.02 0.00 0.00 58.31 56.05 1j3c n LYS 71 Cb 0.08 -1.56 -0.10 0.00 -0.02 0.00 0.00 35.03 33.43 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 -2.36 1.87 0.18 4.39 2.03 0.40 -4.49 116.55 118.58 1j3c n ASP 72 Ca -0.06 -0.03 0.03 0.00 0.52 0.00 0.00 54.79 55.26 1j3c n ASP 72 Cb 0.62 0.54 0.40 0.00 -0.72 0.00 0.00 41.12 41.95 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 1.21 0.76 5.18 6.09 -0.77 -1.80 117.51 128.17 1j3c h ILE 73 Ca -0.38 -0.99 -0.04 0.00 -1.37 0.00 0.00 64.86 62.08 1j3c h ILE 73 Cb 1.79 1.48 0.01 0.00 0.47 0.00 0.00 36.82 40.57 1j3c h ILE 73 CO -0.00 0.29 -0.37 0.00 -3.07 0.00 0.00 178.15 175.00 1j3c h ALA 74 N 1.67 -1.02 0.00 0.18 0.00 -1.75 -1.50 119.26 116.84 1j3c h ALA 74 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1j3c h ALA 74 Cb 0.51 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1j3c h ALA 74 CO 0.04 -1.03 0.00 0.00 0.00 0.00 0.00 179.25 178.26 1j3c h ALA 75 N -0.94 1.00 -0.08 0.00 0.00 -1.77 -2.67 119.26 114.80 1j3c h ALA 75 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 1j3c h ALA 75 Cb 0.80 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1j3c h ALA 75 CO 0.17 0.00 -0.88 -0.92 0.00 0.00 0.00 179.25 177.63 1j3c h TYR 76 N 0.00 0.94 0.00 0.00 3.20 -0.93 -3.40 116.97 116.79 1j3c h TYR 76 Ca 0.00 -0.46 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1j3c h TYR 76 Cb 0.32 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1j3c h TYR 76 CO 0.00 1.28 0.00 0.54 -1.64 0.00 0.00 178.16 178.34 1j3c n ARG 77 N -3.87 0.00 -1.90 1.82 1.74 -0.60 -4.93 116.66 108.92 1j3c n ARG 77 Ca -0.08 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.98 1j3c n ARG 77 Cb 0.80 -0.66 0.05 0.00 -1.02 0.00 0.00 32.46 31.63 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 -0.76 0.85 0.24 7.54 0.00 -1.20 -5.12 120.51 122.05 1j3c n ALA 78 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 53.44 52.95 1j3c n ALA 78 Cb 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 19.45 18.87 1j3c n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13