#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 0.68 3.75 -5.12 0.00 -1.26 -4.60 105.19 98.64 1j3x n GLY 2 Ca 0.00 0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1j3x n GLY 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j3x s LYS 3 N 0.21 3.87 0.34 1.61 2.20 -1.26 -4.99 119.74 121.73 1j3x s LYS 3 Ca 0.21 -0.23 -0.06 0.00 -0.36 0.00 0.00 55.97 55.53 1j3x s LYS 3 Cb 0.32 -3.28 0.08 0.00 -1.51 0.00 0.00 37.83 33.44 1j3x s LYS 3 CO -0.07 0.45 0.40 0.41 -0.36 0.00 0.00 175.35 176.18 1j3x n GLY 4 N 3.02 -1.69 3.35 5.54 0.00 -1.26 -4.39 105.19 109.76 1j3x n GLY 4 Ca -0.17 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 1j3x n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j3x s ASP 5 N -2.53 -0.20 0.06 1.61 1.01 -1.26 -5.01 116.67 110.35 1j3x s ASP 5 Ca 0.24 -0.41 -0.17 0.00 0.71 0.00 0.00 52.55 52.92 1j3x s ASP 5 Cb -0.01 0.48 -0.17 0.00 1.01 0.00 0.00 42.92 44.23 1j3x s ASP 5 CO 0.17 -0.89 1.25 1.55 0.21 0.00 0.00 175.17 177.46 1j3x h PRO 6 N 2.37 0.58 0.00 8.23 0.13 -1.99 -3.42 132.00 137.90 1j3x h PRO 6 Ca -0.33 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 1j3x h PRO 6 Cb 1.25 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1j3x h PRO 6 CO 0.46 1.09 -0.72 0.09 -0.23 0.00 0.00 178.00 178.68 1j3x n ASN 7 N -4.18 2.56 -4.72 1.44 3.02 -1.26 -5.07 115.26 107.06 1j3x n ASN 7 Ca -0.08 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.14 1j3x n ASN 7 Cb 0.62 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.90 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 -1.75 2.02 0.91 3.52 1.02 -1.26 -5.01 119.74 119.18 1j3x s LYS 8 Ca 0.00 1.69 -0.15 0.00 0.02 0.00 0.00 55.97 57.53 1j3x s LYS 8 Cb 0.00 -1.83 0.22 0.00 -0.52 0.00 0.00 37.83 35.71 1j3x s LYS 8 CO 0.00 -1.91 0.91 -0.35 -0.92 0.00 0.00 175.35 173.07 1j3x n PRO 9 N -2.94 -2.23 -3.99 -1.68 -0.04 -1.26 -4.28 135.00 118.57 1j3x n PRO 9 Ca 0.13 -1.44 -0.22 0.00 -0.04 0.00 0.00 63.50 61.94 1j3x n PRO 9 Cb 0.51 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.71 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 -5.04 3.35 0.00 0.54 3.52 -1.26 -4.57 118.95 115.49 1j3x s ARG 10 Ca 0.57 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 1j3x s ARG 10 Cb -0.04 -2.84 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 1j3x s ARG 10 CO 0.42 0.44 0.00 0.41 -0.81 0.00 0.00 175.30 175.76 1j3x n GLY 11 N -1.26 -2.04 0.00 8.12 0.00 -1.26 -4.88 105.19 103.87 1j3x n GLY 11 Ca -0.09 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 0.36 -3.63 1.61 5.02 -1.26 -4.85 118.16 115.41 1j3x n LYS 12 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1j3x n LYS 12 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1j3x n LYS 12 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1j3x s MET 13 N -1.69 0.59 0.94 1.97 1.75 -1.26 -4.83 119.30 116.77 1j3x s MET 13 Ca 0.00 1.30 -0.14 0.00 -1.25 0.00 0.00 55.69 55.61 1j3x s MET 13 Cb 0.00 0.59 0.21 0.00 2.84 0.00 0.00 34.83 38.47 1j3x s MET 13 CO 0.00 -0.17 1.28 0.45 -0.65 0.00 0.00 175.02 175.93 1j3x n SER 14 N 5.00 0.34 0.18 1.11 2.88 -1.26 -4.39 113.62 117.48 1j3x n SER 14 Ca -0.14 -1.61 0.03 0.00 -1.33 0.00 0.00 58.87 55.82 1j3x n SER 14 Cb 0.53 -0.95 0.35 0.00 -0.75 0.00 0.00 64.21 63.38 1j3x n SER 14 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1j3x h SER 15 N -1.54 0.00 0.58 -3.46 4.64 -1.91 -2.70 113.55 109.16 1j3x h SER 15 Ca -0.41 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.80 1j3x h SER 15 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1j3x h SER 15 CO 0.32 0.40 -0.49 0.22 -0.87 0.00 0.00 176.83 176.40 1j3x h TYR 16 N 0.00 0.00 0.00 4.77 5.03 -1.93 -2.45 116.97 122.39 1j3x h TYR 16 Ca -0.00 0.00 -0.19 0.00 2.58 0.00 0.00 58.73 61.12 1j3x h TYR 16 Cb 0.76 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.01 1j3x h TYR 16 CO 0.00 0.49 -0.89 0.00 -1.32 0.00 0.00 178.16 176.45 1j3x h ALA 17 N 1.51 0.54 0.00 1.82 0.00 -1.84 -3.21 119.26 118.07 1j3x h ALA 17 Ca -0.00 -0.80 -0.17 0.00 0.00 0.00 0.00 54.91 53.94 1j3x h ALA 17 Cb 0.92 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1j3x h ALA 17 CO 0.06 1.08 -0.80 0.74 0.00 0.00 0.00 179.25 180.34 1j3x h PHE 18 N 0.01 0.00 0.61 0.00 0.04 -1.34 -2.87 116.94 113.38 1j3x h PHE 18 Ca -0.01 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1j3x h PHE 18 Cb 1.56 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.72 1j3x h PHE 18 CO 0.00 0.80 -0.29 0.35 -0.60 0.00 0.00 178.31 178.57 1j3x h PHE 19 N 0.00 -0.76 -0.12 -0.55 3.57 -1.45 0.20 116.94 117.83 1j3x h PHE 19 Ca -0.01 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 1j3x h PHE 19 Cb 1.46 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.45 1j3x h PHE 19 CO 0.00 -0.44 -0.04 0.28 -2.23 0.00 0.00 178.31 175.88 1j3x h VAL 20 N -0.93 1.11 0.07 1.41 2.07 -1.66 0.33 116.25 118.66 1j3x h VAL 20 Ca -0.08 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1j3x h VAL 20 Cb 0.66 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1j3x h VAL 20 CO 0.14 0.14 -0.03 -0.61 0.02 0.00 0.00 177.57 177.23 1j3x h GLN 21 N 0.17 -0.09 -0.03 1.57 -0.00 -1.25 -0.24 115.11 115.24 1j3x h GLN 21 Ca 0.04 0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.59 1j3x h GLN 21 Cb 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.68 1j3x h GLN 21 CO 0.01 0.34 -0.49 1.15 0.00 0.00 0.00 178.83 179.84 1j3x h THR 22 N -0.55 1.35 0.00 2.39 2.02 -0.36 -2.75 112.91 115.01 1j3x h THR 22 Ca -0.01 -1.69 -0.12 0.00 0.77 0.00 0.00 66.41 65.36 1j3x h THR 22 Cb 0.47 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 1j3x h THR 22 CO 0.02 0.49 -0.58 0.28 0.37 0.00 0.00 175.52 176.09 1j3x h SER 23 N 0.05 0.00 -0.31 4.18 0.02 -0.31 -2.87 113.55 114.32 1j3x h SER 23 Ca -0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1j3x h SER 23 Cb 0.88 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1j3x h SER 23 CO 0.07 0.58 -0.23 -0.09 -1.14 0.00 0.00 176.83 176.01 1j3x h ARG 24 N 0.00 0.71 -0.26 3.45 2.43 -0.74 -2.00 114.38 117.96 1j3x h ARG 24 Ca -0.01 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 1j3x h ARG 24 Cb 1.11 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1j3x h ARG 24 CO 0.08 0.96 0.12 0.93 -1.51 0.00 0.00 179.97 180.54 1j3x h GLU 25 N 0.46 0.39 0.00 0.20 5.08 -1.49 -2.00 114.58 117.22 1j3x h GLU 25 Ca 0.06 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1j3x h GLU 25 Cb 0.79 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1j3x h GLU 25 CO 0.06 0.41 -0.07 1.49 -1.00 0.00 0.00 179.01 179.90 1j3x h GLU 26 N 0.28 0.00 -1.15 2.33 4.22 -1.48 -2.14 114.58 116.64 1j3x h GLU 26 Ca 0.09 0.00 -0.47 0.00 0.08 0.00 0.00 59.36 59.06 1j3x h GLU 26 Cb 0.15 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.18 1j3x h GLU 26 CO -0.01 0.07 0.61 1.58 -2.18 0.00 0.00 179.01 179.08 1j3x n HIS 27 N -3.73 2.42 -1.80 0.92 -0.00 -0.76 -4.22 115.22 108.05 1j3x n HIS 27 Ca -0.02 -2.17 0.05 0.00 0.46 0.00 0.00 57.72 56.03 1j3x n HIS 27 Cb 0.17 -1.07 0.09 0.00 -0.12 0.00 0.00 29.99 29.07 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 -0.50 0.71 -0.03 1.57 4.76 -0.81 -4.77 118.16 119.10 1j3x n LYS 28 Ca 0.47 -2.22 -0.05 0.00 -2.87 0.00 0.00 58.31 53.65 1j3x n LYS 28 Cb 0.91 -0.90 -0.02 0.00 -1.84 0.00 0.00 35.03 33.19 1j3x n LYS 28 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1j3x n LYS 29 N -0.51 0.30 -2.90 1.97 5.02 -1.26 -4.80 118.16 115.98 1j3x n LYS 29 Ca 0.10 0.12 -0.33 0.00 -2.02 0.00 0.00 58.31 56.18 1j3x n LYS 29 Cb 0.80 -1.02 -0.02 0.00 -0.02 0.00 0.00 35.03 34.77 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 -4.01 4.02 -2.84 1.97 0.00 -1.26 -4.77 118.16 111.26 1j3x n LYS 30 Ca -0.08 -4.75 -0.12 0.00 -0.00 0.00 0.00 58.31 53.36 1j3x n LYS 30 Cb 0.29 -2.34 0.03 0.00 -0.00 0.00 0.00 35.03 33.01 1j3x n LYS 30 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1j3x n HIS 31 N 0.08 -0.10 -0.03 5.58 8.25 -1.26 -4.95 115.22 122.79 1j3x n HIS 31 Ca 0.36 -2.92 -0.13 0.00 -0.26 0.00 0.00 57.72 54.76 1j3x n HIS 31 Cb 0.34 0.10 -0.10 0.00 1.12 0.00 0.00 29.99 31.45 1j3x n HIS 31 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1j3x h PRO 32 N 2.86 0.05 -1.01 -0.41 0.13 -1.97 -3.28 132.00 128.36 1j3x h PRO 32 Ca -0.06 -0.04 -0.67 0.00 -0.87 0.00 0.00 66.00 64.36 1j3x h PRO 32 Cb 1.12 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 31.96 1j3x h PRO 32 CO 0.38 0.65 0.73 -0.40 -0.23 0.00 0.00 178.00 179.13 1j3x n ASP 33 N -4.75 7.45 -3.91 1.44 5.75 -1.26 -4.91 116.55 116.36 1j3x n ASP 33 Ca -0.09 -3.79 -0.23 0.00 -0.01 0.00 0.00 54.79 50.68 1j3x n ASP 33 Cb 0.33 -0.92 -0.17 0.00 -1.03 0.00 0.00 41.12 39.33 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1j3x s SER 34 N -1.97 1.48 0.14 -1.12 0.15 -1.24 -5.14 113.70 106.00 1j3x s SER 34 Ca 0.63 -0.20 -0.13 0.00 0.70 0.00 0.00 55.95 56.95 1j3x s SER 34 Cb 0.50 -0.62 -0.07 0.00 -1.71 0.00 0.00 66.02 64.12 1j3x s SER 34 CO -0.02 -0.06 0.52 -0.55 1.20 0.00 0.00 173.24 174.33 1j3x s SER 35 N 1.13 6.78 -0.40 5.45 0.15 -1.26 -4.98 113.70 120.57 1j3x s SER 35 Ca -0.07 1.01 0.10 0.00 0.70 0.00 0.00 55.95 57.69 1j3x s SER 35 Cb -0.14 -2.26 0.31 0.00 -1.71 0.00 0.00 66.02 62.21 1j3x s SER 35 CO -0.01 0.10 0.73 0.55 1.20 0.00 0.00 173.24 175.81 1j3x n VAL 36 N 0.76 -0.29 -0.37 4.45 3.14 -1.26 -5.03 118.33 119.73 1j3x n VAL 36 Ca -0.05 -3.77 -0.29 0.00 -2.96 0.00 0.00 64.34 57.27 1j3x n VAL 36 Cb 0.52 -0.40 0.27 0.00 -1.06 0.00 0.00 33.84 33.17 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 0.74 -3.07 -0.17 6.55 5.15 -1.26 -4.67 115.26 118.52 1j3x n ASN 37 Ca 0.20 -0.53 -0.09 0.00 -0.60 0.00 0.00 54.58 53.57 1j3x n ASN 37 Cb 0.62 -1.09 0.01 0.00 -0.53 0.00 0.00 39.78 38.80 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 -3.14 0.80 -0.28 1.20 0.04 -2.00 -2.23 116.94 111.32 1j3x h PHE 38 Ca -0.50 -0.08 -0.13 0.00 2.80 0.00 0.00 57.97 60.07 1j3x h PHE 38 Cb 1.30 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 39.22 1j3x h PHE 38 CO -1.88 0.69 -0.32 0.00 -0.60 0.00 0.00 178.31 176.20 1j3x h ALA 39 N 1.02 0.42 0.00 2.45 0.00 -1.96 1.54 119.26 122.72 1j3x h ALA 39 Ca 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1j3x h ALA 39 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1j3x h ALA 39 CO -0.01 0.46 0.00 0.93 0.00 0.00 0.00 179.25 180.63 1j3x h GLU 40 N 0.46 0.00 0.00 0.00 4.39 -1.87 -2.73 114.58 114.83 1j3x h GLU 40 Ca 0.04 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.60 1j3x h GLU 40 Cb 0.90 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1j3x h GLU 40 CO 0.08 0.00 -1.52 0.34 -1.16 0.00 0.00 179.01 176.75 1j3x n PHE 41 N -2.37 0.00 0.31 4.33 7.35 -0.85 -4.29 117.46 121.94 1j3x n PHE 41 Ca -0.00 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.88 1j3x n PHE 41 Cb 0.12 -0.35 1.02 0.00 0.35 0.00 0.00 39.48 40.62 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 -0.10 0.00 0.69 -2.13 4.64 0.22 0.30 113.55 117.17 1j3x h SER 42 Ca -0.21 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.88 1j3x h SER 42 Cb 1.28 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.34 1j3x h SER 42 CO -0.06 0.00 -1.44 0.11 -0.87 0.00 0.00 176.83 174.56 1j3x h LYS 43 N 0.00 0.00 0.13 4.77 1.57 -1.67 -3.35 116.57 118.02 1j3x h LYS 43 Ca 0.02 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.48 1j3x h LYS 43 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1j3x h LYS 43 CO -0.00 0.46 -1.62 -0.22 -0.57 0.00 0.00 179.45 177.50 1j3x h LYS 44 N 0.00 0.28 -0.20 3.15 3.11 -1.22 -3.33 116.57 118.36 1j3x h LYS 44 Ca -0.19 -0.48 0.02 0.00 -2.81 0.00 0.00 60.65 57.18 1j3x h LYS 44 Cb 1.78 0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 33.18 1j3x h LYS 44 CO 0.07 1.15 0.14 0.00 -2.81 0.00 0.00 179.45 178.00 1j3x h SER 46 N 0.20 0.70 0.11 0.00 4.64 -1.70 0.32 113.55 117.82 1j3x h SER 46 Ca 0.08 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1j3x h SER 46 Cb 0.07 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1j3x h SER 46 CO -0.02 0.57 -0.10 -0.33 -0.87 0.00 0.00 176.83 176.09 1j3x h GLU 47 N 0.79 0.00 0.06 4.77 4.39 -1.45 -0.72 114.58 122.43 1j3x h GLU 47 Ca 0.20 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.53 1j3x h GLU 47 Cb 0.04 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1j3x h GLU 47 CO -0.03 0.10 -2.17 -2.13 -1.16 0.00 0.00 179.01 173.61 1j3x n ARG 48 N -4.33 0.71 -0.16 2.33 0.63 -0.60 -3.71 116.66 111.53 1j3x n ARG 48 Ca -0.03 0.21 -0.08 0.00 -0.92 0.00 0.00 57.85 57.03 1j3x n ARG 48 Cb 0.17 -1.64 0.01 0.00 0.45 0.00 0.00 32.46 31.45 1j3x n ARG 48 CO 0.00 0.00 0.00 2.35 -2.51 0.00 0.00 177.63 177.47 1j3x h TRP 49 N 0.04 0.70 0.00 -0.14 2.91 -0.26 0.18 115.95 119.38 1j3x h TRP 49 Ca -0.48 -0.05 -0.06 0.00 1.13 0.00 0.00 58.89 59.43 1j3x h TRP 49 Cb 2.00 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 30.43 1j3x h TRP 49 CO 0.05 0.59 -0.29 0.87 -1.03 0.00 0.00 178.44 178.63 1j3x h LYS 50 N 0.61 0.00 0.00 2.65 1.79 -1.33 -2.69 116.57 117.60 1j3x h LYS 50 Ca 0.16 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.52 1j3x h LYS 50 Cb 0.18 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1j3x h LYS 50 CO -0.01 0.29 -0.92 1.79 -1.08 0.00 0.00 179.45 179.51 1j3x h THR 51 N 0.00 0.52 -3.96 -0.16 1.35 -1.52 -3.47 112.91 105.67 1j3x h THR 51 Ca -0.00 -1.85 -0.55 0.00 -0.55 0.00 0.00 66.41 63.45 1j3x h THR 51 Cb 0.57 2.09 0.17 0.00 -1.73 0.00 0.00 68.15 69.25 1j3x h THR 51 CO 0.04 0.29 0.28 0.23 -0.25 0.00 0.00 175.52 176.11 1j3x n MET 52 N -2.99 0.64 -2.47 4.72 2.81 0.59 -5.02 117.12 115.39 1j3x n MET 52 Ca -0.03 0.28 -0.14 0.00 -1.81 0.00 0.00 57.70 56.00 1j3x n MET 52 Cb 0.74 -2.36 0.03 0.00 -0.71 0.00 0.00 33.22 30.91 1j3x n MET 52 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1j3x n SER 53 N -2.06 1.57 0.25 7.83 7.64 -1.26 -4.89 113.62 122.70 1j3x n SER 53 Ca 0.14 -2.04 0.14 0.00 1.01 0.00 0.00 58.87 58.12 1j3x n SER 53 Cb 0.49 -0.20 0.59 0.00 -1.01 0.00 0.00 64.21 64.09 1j3x n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j3x h ALA 54 N 0.39 1.02 0.00 -0.43 0.00 -1.96 0.31 119.26 118.59 1j3x h ALA 54 Ca -0.19 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1j3x h ALA 54 Cb 0.79 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1j3x h ALA 54 CO 0.28 0.12 -0.48 0.87 0.00 0.00 0.00 179.25 180.04 1j3x h LYS 55 N 0.00 0.00 0.00 0.00 1.79 -2.01 -2.47 116.57 113.89 1j3x h LYS 55 Ca -0.00 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.06 1j3x h LYS 55 Cb 0.60 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.18 1j3x h LYS 55 CO 0.01 0.48 -2.49 0.39 -1.08 0.00 0.00 179.45 176.76 1j3x n GLU 56 N -3.97 0.64 0.31 3.15 1.02 -1.07 -4.31 120.64 116.40 1j3x n GLU 56 Ca -0.02 0.17 0.17 0.00 -0.02 0.00 0.00 57.16 57.47 1j3x n GLU 56 Cb 0.50 -1.52 0.99 0.00 -0.02 0.00 0.00 31.44 31.39 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 -0.18 0.00 -0.12 3.49 1.57 -1.02 -1.53 116.57 118.77 1j3x h LYS 57 Ca -0.60 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.14 1j3x h LYS 57 Cb 1.85 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.15 1j3x h LYS 57 CO -0.15 0.00 -0.11 0.66 -0.57 0.00 0.00 179.45 179.28 1j3x h SER 58 N 0.00 0.17 0.42 0.86 4.64 -1.63 0.08 113.55 118.10 1j3x h SER 58 Ca -0.00 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 1j3x h SER 58 Cb 0.01 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1j3x h SER 58 CO 0.00 0.31 -0.45 0.50 -0.87 0.00 0.00 176.83 176.32 1j3x h LYS 59 N 0.18 0.04 0.00 4.77 3.64 -1.51 -0.80 116.57 122.89 1j3x h LYS 59 Ca 0.04 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.15 1j3x h LYS 59 Cb 0.31 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1j3x h LYS 59 CO 0.02 0.48 -1.51 0.74 -2.27 0.00 0.00 179.45 176.92 1j3x h PHE 60 N 0.03 0.00 0.00 1.91 0.04 -1.47 -3.25 116.94 114.20 1j3x h PHE 60 Ca -0.00 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 1j3x h PHE 60 Cb 0.81 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.94 1j3x h PHE 60 CO 0.00 0.88 -0.85 1.49 -0.60 0.00 0.00 178.31 179.23 1j3x h GLU 61 N 0.00 0.00 0.00 1.51 4.81 -0.89 -2.77 114.58 117.24 1j3x h GLU 61 Ca -0.21 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.86 1j3x h GLU 61 Cb 1.86 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.22 1j3x h GLU 61 CO 0.08 0.85 -0.74 0.22 -0.73 0.00 0.00 179.01 178.69 1j3x h ASP 62 N 0.00 0.00 0.94 1.04 3.58 -1.27 -2.12 116.42 118.58 1j3x h ASP 62 Ca -0.01 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.22 1j3x h ASP 62 Cb 1.62 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.63 1j3x h ASP 62 CO 0.11 0.74 -1.09 0.24 -2.88 0.00 0.00 179.24 176.36 1j3x h MET 63 N 0.00 0.00 0.00 0.28 2.86 -1.59 -3.14 114.93 113.34 1j3x h MET 63 Ca -0.01 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.43 1j3x h MET 63 Cb 1.38 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.01 1j3x h MET 63 CO 0.10 0.90 -1.02 0.00 1.06 0.00 0.00 176.91 177.95 1j3x h ALA 64 N 1.02 0.43 -0.00 6.32 0.00 -1.49 -3.27 119.26 122.27 1j3x h ALA 64 Ca -0.05 -0.91 -0.14 0.00 0.00 0.00 0.00 54.91 53.81 1j3x h ALA 64 Cb 1.79 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1j3x h ALA 64 CO 0.12 1.21 -0.65 -0.22 0.00 0.00 0.00 179.25 179.71 1j3x h LYS 65 N 0.00 0.00 -0.59 0.00 1.63 -1.46 -1.06 116.57 115.09 1j3x h LYS 65 Ca -0.04 -0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.71 1j3x h LYS 65 Cb 1.75 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.35 1j3x h LYS 65 CO 0.12 0.65 0.15 1.03 -3.45 0.00 0.00 179.45 177.94 1j3x h SER 66 N 0.00 0.86 0.68 4.20 0.87 -1.59 -0.67 113.55 117.89 1j3x h SER 66 Ca -0.01 -0.16 -0.25 0.00 -1.23 0.00 0.00 61.79 60.15 1j3x h SER 66 Cb 1.14 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.84 1j3x h SER 66 CO 0.08 0.83 -1.45 0.44 -0.53 0.00 0.00 176.83 176.20 1j3x h ASP 67 N 0.88 0.00 0.58 6.23 3.32 -1.64 -2.95 116.42 122.84 1j3x h ASP 67 Ca 0.19 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 1j3x h ASP 67 Cb 0.31 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1j3x h ASP 67 CO -0.00 0.93 -0.59 0.50 -1.72 0.00 0.00 179.24 178.36 1j3x h LYS 68 N 0.00 0.01 0.00 3.56 3.11 -1.00 -3.12 116.57 119.13 1j3x h LYS 68 Ca -0.19 -0.01 -0.24 0.00 -2.81 0.00 0.00 60.65 57.40 1j3x h LYS 68 Cb 1.88 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 33.07 1j3x h LYS 68 CO 0.09 0.59 -1.40 0.00 -2.81 0.00 0.00 179.45 175.92 1j3x h ALA 69 N 1.41 0.64 -0.08 5.00 0.00 -1.23 -3.33 119.26 121.66 1j3x h ALA 69 Ca -0.01 -1.17 -0.03 0.00 0.00 0.00 0.00 54.91 53.70 1j3x h ALA 69 Cb 1.04 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1j3x h ALA 69 CO 0.08 1.34 -0.11 -0.09 0.00 0.00 0.00 179.25 180.47 1j3x h ARG 70 N 0.00 0.13 0.00 0.00 2.43 -1.46 -1.90 114.38 113.57 1j3x h ARG 70 Ca -0.18 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 1j3x h ARG 70 Cb 1.85 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.37 1j3x h ARG 70 CO 0.09 0.24 -0.18 -0.92 -1.51 0.00 0.00 179.97 177.69 1j3x h TYR 71 N 0.12 0.00 -1.16 2.20 5.03 -1.65 -2.81 116.97 118.71 1j3x h TYR 71 Ca 0.03 0.00 -0.55 0.00 2.58 0.00 0.00 58.73 60.78 1j3x h TYR 71 Cb 0.27 0.00 -0.21 0.00 1.55 0.00 0.00 36.73 38.35 1j3x h TYR 71 CO 0.00 0.18 0.62 -3.47 -1.32 0.00 0.00 178.16 174.18 1j3x n ASP 72 N -4.23 6.89 0.00 -2.11 2.03 -0.71 -4.10 116.55 114.32 1j3x n ASP 72 Ca -0.02 -3.41 0.00 0.00 0.52 0.00 0.00 54.79 51.88 1j3x n ASP 72 Cb 0.25 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 1j3x n ASP 72 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1j3x n ARG 73 N 0.19 0.00 0.13 -0.67 1.74 -1.06 -4.77 116.66 112.22 1j3x n ARG 73 Ca 0.48 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.55 1j3x n ARG 73 Cb 0.50 -0.11 0.15 0.00 -1.02 0.00 0.00 32.46 31.98 1j3x n ARG 73 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1j3x h GLU 74 N 0.00 0.00 0.02 5.56 4.81 -1.72 -3.31 114.58 119.94 1j3x h GLU 74 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1j3x h GLU 74 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1j3x h GLU 74 CO 0.00 0.63 -0.80 0.52 -0.73 0.00 0.00 179.01 178.63 1j3x h MET 75 N 0.00 0.04 -4.52 1.92 2.86 -1.86 -3.43 114.93 109.94 1j3x h MET 75 Ca -0.01 -0.07 -0.71 0.00 -2.06 0.00 0.00 59.70 56.85 1j3x h MET 75 Cb 1.15 0.03 -0.27 0.00 0.06 0.00 0.00 31.60 32.57 1j3x h MET 75 CO 0.08 1.04 -0.49 0.15 1.06 0.00 0.00 176.91 178.74 1j3x s LYS 76 N -2.33 2.69 0.00 1.72 -0.14 -1.25 -5.16 119.74 115.27 1j3x s LYS 76 Ca -0.23 -1.30 0.25 0.00 -1.36 0.00 0.00 55.97 53.33 1j3x s LYS 76 Cb 0.02 -3.74 0.49 0.00 -1.68 0.00 0.00 37.83 32.92 1j3x s LYS 76 CO 0.66 -0.84 1.43 0.09 -0.76 0.00 0.00 175.35 175.93