#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3x n GLY 2 N 0.00 2.76 0.09 -5.12 0.00 -1.26 -4.99 105.19 96.67 1j3x n GLY 2 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1j3x n GLY 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j3x n LYS 3 N 0.00 0.53 0.00 1.61 4.81 -1.26 -4.41 118.16 119.43 1j3x n LYS 3 Ca 0.00 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1j3x n LYS 3 Cb 0.00 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 33.57 1j3x n LYS 3 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j3x n GLY 4 N 1.46 0.47 2.69 3.14 0.00 -1.26 -4.86 105.19 106.82 1j3x n GLY 4 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1j3x n GLY 4 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j3x n ASP 5 N 0.00 -1.89 -0.03 1.61 2.03 -1.26 -4.47 116.55 112.54 1j3x n ASP 5 Ca 0.00 -3.21 -0.16 0.00 0.52 0.00 0.00 54.79 51.94 1j3x n ASP 5 Cb 0.00 1.40 -0.08 0.00 -0.72 0.00 0.00 41.12 41.72 1j3x n ASP 5 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1j3x h PRO 6 N 2.66 0.58 0.00 -0.67 0.13 -1.98 -3.44 132.00 129.28 1j3x h PRO 6 Ca -0.15 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1j3x h PRO 6 Cb 1.16 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1j3x h PRO 6 CO 0.10 1.08 -0.06 0.09 -0.23 0.00 0.00 178.00 178.97 1j3x n ASN 7 N -4.19 0.05 -4.93 1.44 3.02 -1.26 -5.11 115.26 104.28 1j3x n ASN 7 Ca -0.08 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.22 1j3x n ASN 7 Cb 0.61 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.82 1j3x n ASN 7 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1j3x s LYS 8 N -1.77 2.63 0.27 3.52 1.02 -1.26 -5.09 119.74 119.06 1j3x s LYS 8 Ca 0.00 -0.26 -0.05 0.00 0.02 0.00 0.00 55.97 55.68 1j3x s LYS 8 Cb 0.00 -2.30 0.07 0.00 -0.52 0.00 0.00 37.83 35.08 1j3x s LYS 8 CO 0.00 -0.84 0.27 -0.35 -0.92 0.00 0.00 175.35 173.52 1j3x n PRO 9 N -2.61 -1.16 -2.57 -1.68 -0.04 -1.26 -4.56 135.00 121.12 1j3x n PRO 9 Ca 0.06 -0.43 -0.23 0.00 -0.04 0.00 0.00 63.50 62.86 1j3x n PRO 9 Cb 0.59 -0.37 0.08 0.00 -0.04 0.00 0.00 33.50 33.76 1j3x n PRO 9 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1j3x s ARG 10 N -3.61 2.05 -1.33 0.54 3.52 -1.26 -4.82 118.95 114.03 1j3x s ARG 10 Ca 0.17 -0.92 -0.06 0.00 -0.13 0.00 0.00 55.73 54.79 1j3x s ARG 10 Cb -0.01 -2.38 0.11 0.00 -1.56 0.00 0.00 34.95 31.11 1j3x s ARG 10 CO 0.13 -1.15 2.37 0.41 -0.81 0.00 0.00 175.30 176.24 1j3x n GLY 11 N -2.66 5.13 7.00 8.12 0.00 -1.26 -4.99 105.19 116.54 1j3x n GLY 11 Ca 0.12 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1j3x n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j3x n LYS 12 N 2.00 0.00 -1.61 1.61 5.02 -1.26 -4.96 118.16 118.96 1j3x n LYS 12 Ca 0.61 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1j3x n LYS 12 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.27 1j3x n LYS 12 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1j3x n MET 13 N -1.12 0.79 -3.97 1.97 2.81 -1.26 -5.07 117.12 111.27 1j3x n MET 13 Ca 0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.77 1j3x n MET 13 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 1j3x n MET 13 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j3x s SER 14 N -0.61 0.54 0.37 7.83 0.15 -1.26 -4.82 113.70 115.90 1j3x s SER 14 Ca 0.00 -1.34 0.15 0.00 0.70 0.00 0.00 55.95 55.45 1j3x s SER 14 Cb 0.00 0.74 0.72 0.00 -1.71 0.00 0.00 66.02 65.78 1j3x s SER 14 CO 0.00 -1.47 1.80 0.77 1.20 0.00 0.00 173.24 175.54 1j3x h SER 15 N 2.06 0.00 0.67 5.45 4.64 -1.91 -2.65 113.55 121.80 1j3x h SER 15 Ca -0.30 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.91 1j3x h SER 15 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1j3x h SER 15 CO 0.39 0.39 -0.55 0.22 -0.87 0.00 0.00 176.83 176.41 1j3x h TYR 16 N 0.00 0.00 0.05 4.77 5.03 -1.96 -1.26 116.97 123.60 1j3x h TYR 16 Ca -0.00 0.00 -0.23 0.00 2.58 0.00 0.00 58.73 61.08 1j3x h TYR 16 Cb 0.74 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.01 1j3x h TYR 16 CO 0.00 0.55 -1.03 0.00 -1.32 0.00 0.00 178.16 176.37 1j3x h ALA 17 N 1.45 0.32 0.00 1.82 0.00 -1.88 -3.15 119.26 117.82 1j3x h ALA 17 Ca -0.01 -0.79 -0.20 0.00 0.00 0.00 0.00 54.91 53.91 1j3x h ALA 17 Cb 1.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1j3x h ALA 17 CO 0.07 0.94 -0.97 0.74 0.00 0.00 0.00 179.25 180.04 1j3x h PHE 18 N 0.11 0.00 0.39 0.00 -1.00 -1.41 -2.90 116.94 112.13 1j3x h PHE 18 Ca -0.08 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.68 1j3x h PHE 18 Cb 1.71 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.27 1j3x h PHE 18 CO 0.05 0.96 -0.19 0.35 -1.61 0.00 0.00 178.31 177.87 1j3x h PHE 19 N 0.00 -0.48 -0.37 -0.55 3.57 -1.27 -0.19 116.94 117.64 1j3x h PHE 19 Ca -0.01 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 1j3x h PHE 19 Cb 1.74 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.62 1j3x h PHE 19 CO 0.00 -0.20 0.03 0.28 -2.23 0.00 0.00 178.31 176.19 1j3x h VAL 20 N -0.71 1.20 -0.06 1.41 2.07 -1.67 -0.26 116.25 118.24 1j3x h VAL 20 Ca -0.05 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1j3x h VAL 20 Cb 0.50 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1j3x h VAL 20 CO 0.09 0.27 0.01 1.56 0.02 0.00 0.00 177.57 179.52 1j3x h GLN 21 N 0.55 0.10 0.00 1.57 1.08 -1.34 0.46 115.11 117.52 1j3x h GLN 21 Ca 0.12 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.21 1j3x h GLN 21 Cb 0.30 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1j3x h GLN 21 CO 0.01 0.30 -0.41 1.15 -0.95 0.00 0.00 178.83 178.93 1j3x h THR 22 N -0.13 1.19 0.00 -0.54 2.02 -0.83 -2.54 112.91 112.09 1j3x h THR 22 Ca 0.02 -1.46 -0.18 0.00 0.77 0.00 0.00 66.41 65.56 1j3x h THR 22 Cb 0.25 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1j3x h THR 22 CO 0.00 0.40 -0.94 0.28 0.37 0.00 0.00 175.52 175.63 1j3x h SER 23 N 0.00 0.00 -0.14 4.18 0.02 -0.81 -3.21 113.55 113.58 1j3x h SER 23 Ca -0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.72 1j3x h SER 23 Cb 0.78 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.33 1j3x h SER 23 CO 0.05 0.80 -0.77 -0.09 -1.14 0.00 0.00 176.83 175.69 1j3x h ARG 24 N 0.00 0.79 -0.02 3.45 1.12 0.15 -2.68 114.38 117.19 1j3x h ARG 24 Ca -0.05 -0.64 -0.00 0.00 -1.11 0.00 0.00 59.98 58.19 1j3x h ARG 24 Cb 1.65 0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 31.74 1j3x h ARG 24 CO 0.10 1.24 0.01 0.93 -3.11 0.00 0.00 179.97 179.14 1j3x h GLU 25 N 0.54 0.03 0.00 0.20 5.08 -1.55 -2.18 114.58 116.69 1j3x h GLU 25 Ca -0.05 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1j3x h GLU 25 Cb 1.39 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 1j3x h GLU 25 CO 0.16 0.13 -0.05 1.49 -1.00 0.00 0.00 179.01 179.73 1j3x h GLU 26 N -0.08 0.00 0.00 2.33 4.81 -1.61 -0.39 114.58 119.64 1j3x h GLU 26 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1j3x h GLU 26 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1j3x h GLU 26 CO -0.00 0.05 0.00 1.58 -0.73 0.00 0.00 179.01 179.91 1j3x n HIS 27 N -4.14 0.00 -0.48 0.92 -0.00 -0.85 -3.28 115.22 107.38 1j3x n HIS 27 Ca -0.03 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.12 1j3x n HIS 27 Cb 0.14 -0.37 0.23 0.00 -0.12 0.00 0.00 29.99 29.88 1j3x n HIS 27 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1j3x n LYS 28 N -1.37 3.13 0.00 1.57 5.02 -0.16 -3.90 118.16 122.45 1j3x n LYS 28 Ca 0.10 -2.27 0.00 0.00 -2.02 0.00 0.00 58.31 54.12 1j3x n LYS 28 Cb 0.25 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 1j3x n LYS 28 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1j3x n LYS 29 N 0.01 0.00 -0.79 1.97 5.02 -1.21 -4.73 118.16 118.44 1j3x n LYS 29 Ca 0.29 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1j3x n LYS 29 Cb 1.11 -0.70 0.28 0.00 -0.02 0.00 0.00 35.03 35.70 1j3x n LYS 29 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1j3x n LYS 30 N -2.56 3.62 -3.38 1.97 2.85 -1.26 -4.67 118.16 114.73 1j3x n LYS 30 Ca 0.00 -2.50 -0.20 0.00 -1.05 0.00 0.00 58.31 54.56 1j3x n LYS 30 Cb 0.41 -2.08 -0.09 0.00 -0.65 0.00 0.00 35.03 32.62 1j3x n LYS 30 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1j3x s HIS 31 N -2.47 0.00 -0.06 5.58 3.76 -1.25 -5.01 115.29 115.84 1j3x s HIS 31 Ca 0.44 -1.09 -0.26 0.00 -0.15 0.00 0.00 55.06 54.00 1j3x s HIS 31 Cb 0.35 -0.55 -0.21 0.00 1.11 0.00 0.00 32.58 33.28 1j3x s HIS 31 CO 0.12 -0.93 1.07 -1.00 -0.85 0.00 0.00 174.74 173.14 1j3x h PRO 32 N 6.96 -0.04 -1.65 8.40 0.13 -1.91 -3.38 132.00 140.52 1j3x h PRO 32 Ca 0.06 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.65 1j3x h PRO 32 Cb 1.03 0.01 -0.42 0.00 0.13 0.00 0.00 31.00 31.75 1j3x h PRO 32 CO 0.22 0.57 -0.82 -3.47 -0.23 0.00 0.00 178.00 174.27 1j3x n ASP 33 N -4.80 3.86 -0.00 1.44 2.03 -1.26 -4.74 116.55 113.07 1j3x n ASP 33 Ca -0.09 -3.50 0.02 0.00 0.52 0.00 0.00 54.79 51.75 1j3x n ASP 33 Cb 0.31 -0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 40.17 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1j3x n SER 34 N -0.30 3.78 -1.27 1.67 2.88 -1.26 -5.13 113.62 113.99 1j3x n SER 34 Ca 0.31 -0.03 0.16 0.00 -1.33 0.00 0.00 58.87 57.98 1j3x n SER 34 Cb 0.62 1.19 -0.05 0.00 -0.75 0.00 0.00 64.21 65.22 1j3x n SER 34 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1j3x n SER 35 N -1.62 -7.16 -2.71 -3.46 7.64 -1.26 -4.94 113.62 100.10 1j3x n SER 35 Ca -0.01 0.76 -0.04 0.00 1.01 0.00 0.00 58.87 60.60 1j3x n SER 35 Cb 0.11 -4.04 0.03 0.00 -1.01 0.00 0.00 64.21 59.30 1j3x n SER 35 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1j3x n VAL 36 N -3.83 0.00 -0.39 0.44 3.14 -1.26 -5.09 118.33 111.35 1j3x n VAL 36 Ca -0.02 -0.63 -0.29 0.00 -2.96 0.00 0.00 64.34 60.44 1j3x n VAL 36 Cb 0.65 0.84 0.28 0.00 -1.06 0.00 0.00 33.84 34.55 1j3x n VAL 36 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1j3x n ASN 37 N 2.64 -2.62 -0.05 6.55 5.15 -1.26 -4.77 115.26 120.90 1j3x n ASN 37 Ca 0.14 -0.42 -0.12 0.00 -0.60 0.00 0.00 54.58 53.58 1j3x n ASN 37 Cb 0.61 -1.17 -0.06 0.00 -0.53 0.00 0.00 39.78 38.63 1j3x n ASN 37 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1j3x h PHE 38 N -3.05 0.34 -0.33 1.20 0.04 -2.01 -2.62 116.94 110.51 1j3x h PHE 38 Ca -0.57 -0.07 -0.16 0.00 2.80 0.00 0.00 57.97 59.96 1j3x h PHE 38 Cb 1.34 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.40 1j3x h PHE 38 CO -1.00 0.58 -0.44 0.00 -0.60 0.00 0.00 178.31 176.85 1j3x h ALA 39 N 0.71 0.59 0.00 2.45 0.00 -1.96 1.40 119.26 122.44 1j3x h ALA 39 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1j3x h ALA 39 Cb 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1j3x h ALA 39 CO 0.02 0.68 0.00 0.93 0.00 0.00 0.00 179.25 180.87 1j3x h GLU 40 N 0.68 0.00 0.00 0.00 5.08 -1.90 -2.69 114.58 115.75 1j3x h GLU 40 Ca 0.04 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1j3x h GLU 40 Cb 1.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1j3x h GLU 40 CO 0.10 0.00 -1.32 0.34 -1.00 0.00 0.00 179.01 177.13 1j3x n PHE 41 N -2.38 0.00 0.22 4.33 7.35 -0.99 -4.61 117.46 121.39 1j3x n PHE 41 Ca -0.00 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.87 1j3x n PHE 41 Cb 0.13 -0.21 0.85 0.00 0.35 0.00 0.00 39.48 40.59 1j3x n PHE 41 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1j3x h SER 42 N -0.13 0.00 0.56 -2.13 4.64 0.18 0.25 113.55 116.92 1j3x h SER 42 Ca -0.14 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.07 1j3x h SER 42 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1j3x h SER 42 CO -0.06 0.00 -0.53 0.11 -0.87 0.00 0.00 176.83 175.48 1j3x h LYS 43 N 0.00 0.00 0.07 4.77 1.79 -1.65 -2.21 116.57 119.34 1j3x h LYS 43 Ca 0.08 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.27 1j3x h LYS 43 Cb 0.62 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 1j3x h LYS 43 CO -0.00 0.53 -1.54 -0.22 -1.08 0.00 0.00 179.45 177.14 1j3x h LYS 44 N 0.00 0.15 0.00 3.15 3.11 -0.80 -3.26 116.57 118.92 1j3x h LYS 44 Ca -0.01 -0.26 -0.01 0.00 -2.81 0.00 0.00 60.65 57.56 1j3x h LYS 44 Cb 0.95 0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 32.28 1j3x h LYS 44 CO 0.07 1.13 -0.04 0.00 -2.81 0.00 0.00 179.45 177.79 1j3x h SER 46 N 0.00 0.62 0.37 0.00 4.64 -1.53 0.36 113.55 118.00 1j3x h SER 46 Ca -0.00 -0.40 -0.10 0.00 -0.47 0.00 0.00 61.79 60.82 1j3x h SER 46 Cb 0.08 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1j3x h SER 46 CO 0.01 1.16 -0.44 -0.33 -0.87 0.00 0.00 176.83 176.36 1j3x h GLU 47 N 0.35 0.09 0.13 4.77 4.39 -1.36 -1.66 114.58 121.29 1j3x h GLU 47 Ca -0.04 -0.05 -0.35 0.00 0.34 0.00 0.00 59.36 59.27 1j3x h GLU 47 Cb 1.34 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.97 1j3x h GLU 47 CO 0.14 0.52 -1.87 -0.09 -1.16 0.00 0.00 179.01 176.54 1j3x h ARG 48 N 0.08 0.27 0.37 2.33 2.43 -1.32 -3.22 114.38 115.31 1j3x h ARG 48 Ca 0.00 -0.46 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 1j3x h ARG 48 Cb 0.81 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1j3x h ARG 48 CO 0.06 1.16 -0.18 2.35 -1.51 0.00 0.00 179.97 181.85 1j3x h TRP 49 N 0.07 -0.46 0.00 2.20 2.91 -0.25 0.87 115.95 121.29 1j3x h TRP 49 Ca -0.38 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 59.63 1j3x h TRP 49 Cb 2.05 0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 30.85 1j3x h TRP 49 CO 0.07 -0.20 -0.01 0.87 -1.03 0.00 0.00 178.44 178.14 1j3x h LYS 50 N -0.63 0.00 0.00 2.65 1.57 -1.48 -1.62 116.57 117.05 1j3x h LYS 50 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1j3x h LYS 50 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1j3x h LYS 50 CO 0.08 0.01 -1.23 0.25 -0.57 0.00 0.00 179.45 177.99 1j3x n THR 51 N -3.94 0.15 -0.58 -0.16 -2.24 -0.98 -4.97 114.28 101.57 1j3x n THR 51 Ca -0.03 -0.30 -0.30 0.00 -2.27 0.00 0.00 64.05 61.15 1j3x n THR 51 Cb 0.09 0.21 0.21 0.00 -2.10 0.00 0.00 70.33 68.74 1j3x n THR 51 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1j3x n MET 52 N -2.04 -1.79 -2.76 -0.78 2.81 0.30 -5.02 117.12 107.84 1j3x n MET 52 Ca 0.01 -0.49 -0.20 0.00 -1.81 0.00 0.00 57.70 55.20 1j3x n MET 52 Cb 0.46 -2.06 0.05 0.00 -0.71 0.00 0.00 33.22 30.96 1j3x n MET 52 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1j3x s SER 53 N -2.27 5.14 0.46 7.83 0.01 -1.26 -4.89 113.70 118.72 1j3x s SER 53 Ca 0.64 -0.29 0.25 0.00 1.31 0.00 0.00 55.95 57.86 1j3x s SER 53 Cb -0.22 -0.49 1.09 0.00 0.21 0.00 0.00 66.02 66.62 1j3x s SER 53 CO 0.65 -1.24 1.91 0.00 0.41 0.00 0.00 173.24 174.97 1j3x h ALA 54 N 0.09 1.11 -0.03 1.44 0.00 -1.96 0.41 119.26 120.32 1j3x h ALA 54 Ca -0.39 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 1j3x h ALA 54 Cb 1.29 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1j3x h ALA 54 CO 0.47 0.25 -0.42 0.87 0.00 0.00 0.00 179.25 180.42 1j3x h LYS 55 N 0.00 0.05 0.04 0.00 1.57 -1.99 -1.08 116.57 115.16 1j3x h LYS 55 Ca -0.00 -0.02 -0.37 0.00 -1.87 0.00 0.00 60.65 58.38 1j3x h LYS 55 Cb 0.61 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 1j3x h LYS 55 CO 0.03 0.47 -2.27 0.39 -0.57 0.00 0.00 179.45 177.50 1j3x n GLU 56 N -4.03 0.69 0.25 3.15 1.02 -1.03 -4.12 120.64 116.58 1j3x n GLU 56 Ca -0.02 0.18 0.17 0.00 -0.02 0.00 0.00 57.16 57.47 1j3x n GLU 56 Cb 0.46 -1.60 0.67 0.00 -0.02 0.00 0.00 31.44 30.95 1j3x n GLU 56 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1j3x h LYS 57 N 0.02 0.00 0.00 3.49 1.57 -0.95 -2.84 116.57 117.86 1j3x h LYS 57 Ca -0.51 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.07 1j3x h LYS 57 Cb 1.98 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.27 1j3x h LYS 57 CO -0.01 0.00 -0.95 0.66 -0.57 0.00 0.00 179.45 178.58 1j3x h SER 58 N 0.00 0.01 0.16 0.86 4.64 -1.36 -2.44 113.55 115.41 1j3x h SER 58 Ca 0.00 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1j3x h SER 58 Cb 0.47 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1j3x h SER 58 CO 0.00 0.95 -0.13 0.50 -0.87 0.00 0.00 176.83 177.28 1j3x h LYS 59 N 0.00 0.00 0.00 4.77 3.64 -1.65 -1.12 116.57 122.20 1j3x h LYS 59 Ca -0.01 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.08 1j3x h LYS 59 Cb 1.68 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.45 1j3x h LYS 59 CO 0.12 0.13 -1.93 1.19 -2.27 0.00 0.00 179.45 176.70 1j3x n PHE 60 N -4.27 0.59 0.14 1.91 3.72 -1.22 -3.71 117.46 114.62 1j3x n PHE 60 Ca -0.03 0.21 -0.01 0.00 -0.05 0.00 0.00 57.45 57.58 1j3x n PHE 60 Cb 0.21 -1.08 0.18 0.00 -0.94 0.00 0.00 39.48 37.84 1j3x n PHE 60 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1j3x h GLU 61 N 0.00 0.00 0.00 -1.08 4.81 -1.12 -2.53 114.58 114.66 1j3x h GLU 61 Ca -0.35 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.70 1j3x h GLU 61 Cb 2.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.36 1j3x h GLU 61 CO 0.05 0.60 -0.82 0.22 -0.73 0.00 0.00 179.01 178.34 1j3x h ASP 62 N 0.00 0.00 1.08 1.04 3.58 -1.37 -2.92 116.42 117.83 1j3x h ASP 62 Ca -0.01 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.27 1j3x h ASP 62 Cb 1.11 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.14 1j3x h ASP 62 CO 0.08 0.82 -0.84 0.24 -2.88 0.00 0.00 179.24 176.65 1j3x h MET 63 N 0.00 0.00 0.04 0.28 2.86 -1.62 -3.15 114.93 113.35 1j3x h MET 63 Ca -0.01 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 1j3x h MET 63 Cb 1.62 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.26 1j3x h MET 63 CO 0.11 0.84 -1.04 0.00 1.06 0.00 0.00 176.91 177.88 1j3x h ALA 64 N 1.16 0.32 0.00 6.32 0.00 -1.49 -3.23 119.26 122.33 1j3x h ALA 64 Ca -0.01 -0.85 -0.10 0.00 0.00 0.00 0.00 54.91 53.95 1j3x h ALA 64 Cb 1.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1j3x h ALA 64 CO 0.11 1.06 -0.48 -0.22 0.00 0.00 0.00 179.25 179.72 1j3x h LYS 65 N 0.05 0.00 -0.72 0.00 1.63 -1.56 -1.55 116.57 114.43 1j3x h LYS 65 Ca -0.06 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 1j3x h LYS 65 Cb 1.76 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.35 1j3x h LYS 65 CO 0.15 0.48 0.33 1.03 -3.45 0.00 0.00 179.45 177.99 1j3x h SER 66 N 0.00 0.95 0.91 4.20 0.87 -1.56 -2.38 113.55 116.55 1j3x h SER 66 Ca -0.00 -0.15 -0.22 0.00 -1.23 0.00 0.00 61.79 60.19 1j3x h SER 66 Cb 0.89 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 1j3x h SER 66 CO 0.06 0.84 -1.14 -0.78 -0.53 0.00 0.00 176.83 175.28 1j3x h ASP 67 N 1.01 0.00 0.21 6.23 3.58 -1.63 -2.58 116.42 123.24 1j3x h ASP 67 Ca 0.24 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 1j3x h ASP 67 Cb 0.15 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1j3x h ASP 67 CO -0.03 0.93 -0.18 0.50 -2.88 0.00 0.00 179.24 177.58 1j3x h LYS 68 N 0.00 0.00 0.00 0.28 3.64 -1.05 -1.74 116.57 117.71 1j3x h LYS 68 Ca -0.08 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.99 1j3x h LYS 68 Cb 1.78 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.55 1j3x h LYS 68 CO 0.11 0.18 -2.01 0.00 -2.27 0.00 0.00 179.45 175.45 1j3x n ALA 69 N -2.47 1.60 0.18 5.00 0.00 -0.92 -4.17 120.51 119.73 1j3x n ALA 69 Ca -0.02 -1.00 0.03 0.00 0.00 0.00 0.00 53.44 52.45 1j3x n ALA 69 Cb 0.25 -0.54 0.32 0.00 0.00 0.00 0.00 19.45 19.47 1j3x n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j3x h ARG 70 N 0.00 0.00 0.00 0.00 3.08 -1.22 -2.73 114.38 113.51 1j3x h ARG 70 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1j3x h ARG 70 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.09 1j3x h ARG 70 CO 0.05 0.43 0.00 1.88 -1.07 0.00 0.00 179.97 181.26 1j3x h TYR 71 N 0.00 0.00 -0.25 3.04 -1.99 -1.48 -3.13 116.97 113.16 1j3x h TYR 71 Ca -0.00 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.80 1j3x h TYR 71 Cb 0.87 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.59 1j3x h TYR 71 CO 0.00 0.00 0.21 0.22 -0.00 0.00 0.00 178.16 178.59 1j3x h ASP 72 N 0.00 0.00 -0.95 3.88 1.82 -1.66 -0.50 116.42 119.01 1j3x h ASP 72 Ca 0.00 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 56.07 1j3x h ASP 72 Cb 0.57 0.00 -0.28 0.00 0.68 0.00 0.00 39.33 40.30 1j3x h ASP 72 CO 0.00 0.00 0.73 0.54 -1.61 0.00 0.00 179.24 178.90 1j3x n ARG 73 N -4.12 2.40 0.00 0.28 1.74 -1.18 -4.08 116.66 111.69 1j3x n ARG 73 Ca 0.03 -2.99 0.00 0.00 -0.77 0.00 0.00 57.85 54.12 1j3x n ARG 73 Cb 0.36 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 1j3x n ARG 73 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1j3x n GLU 74 N -0.93 0.00 -0.02 5.56 2.13 -0.20 -4.89 120.64 122.29 1j3x n GLU 74 Ca 0.58 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 58.23 1j3x n GLU 74 Cb 1.14 -0.53 -0.14 0.00 0.27 0.00 0.00 31.44 32.18 1j3x n GLU 74 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1j3x h MET 75 N 0.00 0.14 -3.86 5.31 2.86 -1.74 -3.49 114.93 114.15 1j3x h MET 75 Ca 0.00 -0.23 -0.10 0.00 -2.06 0.00 0.00 59.70 57.30 1j3x h MET 75 Cb 0.42 0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.06 1j3x h MET 75 CO 0.00 1.11 -0.22 -1.59 1.06 0.00 0.00 176.91 177.27 1j3x s LYS 76 N -2.32 1.50 0.00 1.72 -2.85 -1.26 -5.17 119.74 111.36 1j3x s LYS 76 Ca -0.17 -1.35 0.00 0.00 -1.00 0.00 0.00 55.97 53.45 1j3x s LYS 76 Cb -0.01 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 1j3x s LYS 76 CO 0.75 -0.60 0.00 0.09 0.10 0.00 0.00 175.35 175.69