#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3x s GLY 2 N 0.00 -1.01 -0.33 3.17 0.00 -1.26 -5.13 107.32 102.76 1j3x s GLY 2 Ca 0.00 2.21 0.01 0.00 0.00 0.00 0.00 44.72 46.94 1j3x s GLY 2 CO 0.00 4.28 0.33 1.25 0.00 0.00 0.00 173.10 178.96 1j3x s LYS 3 N 2.77 0.48 -0.15 2.90 2.20 -1.26 -4.35 119.74 122.32 1j3x s LYS 3 Ca 0.29 -0.55 0.14 0.00 -0.36 0.00 0.00 55.97 55.49 1j3x s LYS 3 Cb 0.02 -0.73 -0.19 0.00 -1.51 0.00 0.00 37.83 35.41 1j3x s LYS 3 CO -0.21 -1.12 0.05 0.41 -0.36 0.00 0.00 175.35 174.13 1j3x n GLY 4 N 4.74 -0.77 3.89 5.54 0.00 -1.26 -4.99 105.19 112.34 1j3x n GLY 4 Ca 0.05 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.93 5.76 0.05 1.61 1.11 -1.26 -4.99 116.67 114.01 1j3x s ASP 5 Ca -0.08 1.11 -0.17 0.00 0.18 0.00 0.00 52.55 53.59 1j3x s ASP 5 Cb 0.05 -2.06 -0.17 0.00 1.07 0.00 0.00 42.92 41.80 1j3x s ASP 5 CO 0.64 -1.09 1.24 1.55 1.18 0.00 0.00 175.17 178.69 1j3x h PRO 6 N -0.39 0.55 -2.66 8.23 0.13 -2.03 -3.40 132.00 132.43 1j3x h PRO 6 Ca -0.45 -0.44 -0.60 0.00 -0.87 0.00 0.00 66.00 63.64 1j3x h PRO 6 Cb 1.23 0.09 -0.39 0.00 0.13 0.00 0.00 31.00 32.06 1j3x h PRO 6 CO 0.63 1.07 -0.84 -0.80 -0.23 0.00 0.00 178.00 177.83 1j3x s ASN 7 N -6.71 2.79 -0.01 1.44 0.01 -1.26 -5.10 114.94 106.10 1j3x s ASN 7 Ca -0.12 -2.79 -0.27 0.00 -0.71 0.00 0.00 52.86 48.97 1j3x s ASN 7 Cb 0.06 -0.70 0.06 0.00 0.41 0.00 0.00 41.25 41.08 1j3x s ASN 7 CO 0.83 -0.23 0.60 -0.54 -1.51 0.00 0.00 177.10 176.26 1j3x s LYS 8 N 0.27 1.04 0.96 -0.60 1.02 -1.26 -5.17 119.74 115.99 1j3x s LYS 8 Ca 0.24 0.05 -0.13 0.00 0.02 0.00 0.00 55.97 56.16 1j3x s LYS 8 Cb -0.12 0.48 0.17 0.00 -0.52 0.00 0.00 37.83 37.84 1j3x s LYS 8 CO -0.08 -0.34 1.12 -1.25 -0.92 0.00 0.00 175.35 173.87 1j3x s PRO 9 N -1.68 0.75 -0.46 -1.68 0.04 -1.26 -4.93 135.00 125.78 1j3x s PRO 9 Ca -0.09 0.36 0.04 0.00 0.04 0.00 0.00 61.00 61.34 1j3x s PRO 9 Cb -0.01 -1.79 0.57 0.00 0.04 0.00 0.00 34.50 33.31 1j3x s PRO 9 CO 0.05 -2.48 1.80 2.89 0.04 0.00 0.00 177.00 179.30 1j3x n ARG 10 N -3.97 2.35 0.00 4.56 1.85 -1.26 -4.95 116.66 115.23 1j3x n ARG 10 Ca 0.06 -3.20 0.00 0.00 -1.00 0.00 0.00 57.85 53.72 1j3x n ARG 10 Cb 0.59 -2.13 0.00 0.00 -1.05 0.00 0.00 32.46 29.86 1j3x n ARG 10 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1j3x n GLY 11 N -1.06 -1.60 0.00 2.89 0.00 -1.26 -4.88 105.19 99.28 1j3x n GLY 11 Ca 0.54 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 2.39 -3.55 1.61 5.02 -1.26 -5.01 118.16 117.36 1j3x n LYS 12 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1j3x n LYS 12 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 1j3x n LYS 12 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1j3x s MET 13 N -1.37 0.24 1.04 1.97 -1.94 -1.26 -5.10 119.30 112.89 1j3x s MET 13 Ca 0.00 0.65 -0.18 0.00 -1.71 0.00 0.00 55.69 54.45 1j3x s MET 13 Cb 0.00 -0.29 0.24 0.00 2.01 0.00 0.00 34.83 36.79 1j3x s MET 13 CO 0.00 -0.44 1.31 0.45 -0.01 0.00 0.00 175.02 176.33 1j3x s SER 14 N 2.47 2.37 0.32 3.03 0.15 -1.26 -4.23 113.70 116.55 1j3x s SER 14 Ca 0.05 0.22 0.14 0.00 0.70 0.00 0.00 55.95 57.05 1j3x s SER 14 Cb -0.14 -0.20 0.51 0.00 -1.71 0.00 0.00 66.02 64.48 1j3x s SER 14 CO -0.12 -3.19 1.68 0.77 1.20 0.00 0.00 173.24 173.57 1j3x h SER 15 N -1.96 0.00 0.79 5.45 4.64 -1.91 -2.94 113.55 117.61 1j3x h SER 15 Ca -0.44 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.75 1j3x h SER 15 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1j3x h SER 15 CO 0.31 0.51 -0.62 0.22 -0.87 0.00 0.00 176.83 176.38 1j3x h TYR 16 N 0.00 0.00 -0.11 4.77 5.03 -1.92 -3.02 116.97 121.72 1j3x h TYR 16 Ca -0.01 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.21 1j3x h TYR 16 Cb 0.98 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.26 1j3x h TYR 16 CO 0.00 0.62 -0.29 0.00 -1.32 0.00 0.00 178.16 177.18 1j3x h ALA 17 N 1.38 0.19 0.00 1.82 0.00 -1.88 -3.09 119.26 117.68 1j3x h ALA 17 Ca -0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1j3x h ALA 17 Cb 1.19 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1j3x h ALA 17 CO 0.08 0.21 -0.10 0.74 0.00 0.00 0.00 179.25 180.18 1j3x h PHE 18 N -0.03 0.00 0.86 0.00 0.04 -1.56 -0.31 116.94 115.94 1j3x h PHE 18 Ca -0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1j3x h PHE 18 Cb 0.90 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.05 1j3x h PHE 18 CO 0.11 0.10 -0.41 0.35 -0.60 0.00 0.00 178.31 177.86 1j3x h PHE 19 N 0.00 -1.07 0.00 -0.55 3.57 -1.45 0.50 116.94 117.94 1j3x h PHE 19 Ca -0.00 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.39 1j3x h PHE 19 Cb 0.19 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1j3x h PHE 19 CO 0.00 -0.66 -0.38 0.28 -2.23 0.00 0.00 178.31 175.32 1j3x h VAL 20 N -1.29 1.23 -0.14 1.41 2.07 -1.50 0.93 116.25 118.95 1j3x h VAL 20 Ca -0.12 -1.30 -0.12 0.00 0.82 0.00 0.00 66.70 65.98 1j3x h VAL 20 Cb 0.89 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1j3x h VAL 20 CO 0.19 0.37 -0.43 -0.61 0.02 0.00 0.00 177.57 177.11 1j3x h GLN 21 N 0.00 0.33 0.00 1.57 -0.00 -0.95 0.44 115.11 116.51 1j3x h GLN 21 Ca -0.00 -0.17 -0.26 0.00 -0.00 0.00 0.00 58.65 58.22 1j3x h GLN 21 Cb 0.68 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 28.12 1j3x h GLN 21 CO 0.05 0.71 -1.59 1.15 0.00 0.00 0.00 178.83 179.14 1j3x h THR 22 N 0.27 0.86 0.00 2.39 2.02 -0.56 -3.14 112.91 114.75 1j3x h THR 22 Ca 0.02 -2.64 -0.20 0.00 0.77 0.00 0.00 66.41 64.36 1j3x h THR 22 Cb 0.87 2.39 -0.03 0.00 -1.74 0.00 0.00 68.15 69.65 1j3x h THR 22 CO 0.07 0.49 -0.94 0.28 0.37 0.00 0.00 175.52 175.79 1j3x h SER 23 N 0.00 0.00 0.72 4.18 0.02 -0.77 -3.19 113.55 114.52 1j3x h SER 23 Ca -0.24 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.47 1j3x h SER 23 Cb 1.92 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.45 1j3x h SER 23 CO 0.08 0.94 -1.11 -0.09 -1.14 0.00 0.00 176.83 175.51 1j3x h ARG 24 N 0.00 0.19 0.00 3.45 1.12 -1.04 -3.23 114.38 114.86 1j3x h ARG 24 Ca -0.01 -0.29 -0.07 0.00 -1.11 0.00 0.00 59.98 58.50 1j3x h ARG 24 Cb 1.70 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 31.76 1j3x h ARG 24 CO 0.12 1.11 -0.32 1.49 -3.11 0.00 0.00 179.97 179.27 1j3x h GLU 25 N 0.06 0.00 -0.81 0.20 4.81 -1.61 -2.45 114.58 114.79 1j3x h GLU 25 Ca -0.08 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.97 1j3x h GLU 25 Cb 1.83 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 31.10 1j3x h GLU 25 CO 0.17 0.32 0.23 -1.91 -0.73 0.00 0.00 179.01 177.09 1j3x n GLU 26 N -4.01 3.22 -0.11 1.92 4.07 -1.21 -4.27 120.64 120.26 1j3x n GLU 26 Ca -0.02 -2.49 -0.19 0.00 -0.06 0.00 0.00 57.16 54.41 1j3x n GLU 26 Cb 0.38 -2.05 -0.08 0.00 -0.06 0.00 0.00 31.44 29.63 1j3x n GLU 26 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1j3x n HIS 27 N -0.07 0.00 0.27 4.31 -0.00 -0.92 -4.46 115.22 114.35 1j3x n HIS 27 Ca 0.34 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.63 1j3x n HIS 27 Cb 1.20 -0.78 0.78 0.00 -0.12 0.00 0.00 29.99 31.07 1j3x n HIS 27 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1j3x h LYS 28 N -0.42 0.00 -0.02 1.57 3.64 -1.74 -0.32 116.57 119.28 1j3x h LYS 28 Ca -0.50 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1j3x h LYS 28 Cb 1.58 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.40 1j3x h LYS 28 CO -0.21 0.04 0.02 0.87 -2.27 0.00 0.00 179.45 177.90 1j3x h LYS 29 N 0.00 0.00 0.00 1.90 1.57 -1.79 -2.90 116.57 115.36 1j3x h LYS 29 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1j3x h LYS 29 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1j3x h LYS 29 CO 0.01 0.00 -0.34 0.36 -0.57 0.00 0.00 179.45 178.91 1j3x n LYS 30 N -4.10 0.56 -3.16 3.15 2.85 -0.64 -4.91 118.16 111.91 1j3x n LYS 30 Ca -0.02 -1.77 -0.20 0.00 -1.05 0.00 0.00 58.31 55.26 1j3x n LYS 30 Cb 0.11 -0.91 -0.06 0.00 -0.65 0.00 0.00 35.03 33.53 1j3x n LYS 30 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1j3x n HIS 31 N -0.58 -1.48 -0.03 5.58 8.25 -0.23 -4.98 115.22 121.76 1j3x n HIS 31 Ca 0.07 -2.91 -0.15 0.00 -0.26 0.00 0.00 57.72 54.47 1j3x n HIS 31 Cb 0.70 0.40 -0.09 0.00 1.12 0.00 0.00 29.99 32.12 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 4.81 0.31 -2.46 -0.41 0.13 -1.86 -3.35 132.00 129.17 1j3x h PRO 32 Ca 0.12 -0.24 -0.75 0.00 -0.87 0.00 0.00 66.00 64.27 1j3x h PRO 32 Cb 0.94 0.05 -0.32 0.00 0.13 0.00 0.00 31.00 31.80 1j3x h PRO 32 CO 0.34 0.88 0.46 -3.47 -0.23 0.00 0.00 178.00 175.98 1j3x n ASP 33 N -4.47 6.12 0.00 1.44 -0.08 -1.26 -4.55 116.55 113.75 1j3x n ASP 33 Ca -0.08 -3.57 0.00 0.00 -1.51 0.00 0.00 54.79 49.63 1j3x n ASP 33 Cb 0.47 -1.03 0.00 0.00 2.34 0.00 0.00 41.12 42.90 1j3x n ASP 33 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1j3x n SER 34 N 0.46 0.00 -1.16 1.67 7.64 -1.26 -5.16 113.62 115.81 1j3x n SER 34 Ca 0.35 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.38 1j3x n SER 34 Cb 0.32 0.32 -0.05 0.00 -1.01 0.00 0.00 64.21 63.80 1j3x n SER 34 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1j3x n SER 35 N -2.47 -6.52 -3.67 6.43 7.64 -1.26 -4.92 113.62 108.86 1j3x n SER 35 Ca 0.00 0.62 -0.12 0.00 1.01 0.00 0.00 58.87 60.38 1j3x n SER 35 Cb 0.00 -3.70 -0.12 0.00 -1.01 0.00 0.00 64.21 59.38 1j3x n SER 35 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1j3x s VAL 36 N -2.63 -0.44 -0.58 0.44 -7.23 -1.26 -5.02 120.40 103.69 1j3x s VAL 36 Ca 0.00 0.25 -0.04 0.00 -1.81 0.00 0.00 61.98 60.38 1j3x s VAL 36 Cb 0.00 -0.48 0.07 0.00 0.56 0.00 0.00 36.38 36.52 1j3x s VAL 36 CO 0.00 0.11 2.73 -3.20 -0.31 0.00 0.00 175.10 174.42 1j3x n ASN 37 N 5.29 6.69 0.00 4.85 5.15 -1.26 -4.93 115.26 131.05 1j3x n ASN 37 Ca -0.08 -3.19 0.00 0.00 -0.60 0.00 0.00 54.58 50.71 1j3x n ASN 37 Cb 0.50 -1.25 0.00 0.00 -0.53 0.00 0.00 39.78 38.50 1j3x n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1j3x n PHE 38 N 1.01 0.00 0.15 1.20 3.72 -1.26 -3.39 117.46 118.89 1j3x n PHE 38 Ca 0.51 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 58.09 1j3x n PHE 38 Cb 0.51 0.00 0.68 0.00 -0.94 0.00 0.00 39.48 39.73 1j3x n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j3x h ALA 39 N -0.85 1.96 0.00 4.37 0.00 -1.94 1.79 119.26 124.59 1j3x h ALA 39 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j3x h ALA 39 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1j3x h ALA 39 CO 0.00 -0.71 0.00 0.93 0.00 0.00 0.00 179.25 179.47 1j3x h GLU 40 N 0.00 0.00 0.00 0.00 5.08 -1.92 -3.16 114.58 114.58 1j3x h GLU 40 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1j3x h GLU 40 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1j3x h GLU 40 CO -0.00 0.00 -0.99 0.34 -1.00 0.00 0.00 179.01 177.36 1j3x n PHE 41 N -2.79 0.00 0.27 4.33 7.35 0.30 -4.63 117.46 122.28 1j3x n PHE 41 Ca 0.04 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.91 1j3x n PHE 41 Cb 0.45 0.00 0.93 0.00 0.35 0.00 0.00 39.48 41.21 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 0.00 0.00 0.49 -2.13 4.64 0.21 0.78 113.55 117.54 1j3x h SER 42 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1j3x h SER 42 Cb 0.99 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 1j3x h SER 42 CO 0.00 0.00 -0.59 0.11 -0.87 0.00 0.00 176.83 175.48 1j3x h LYS 43 N 0.00 0.10 0.15 4.77 1.57 -1.69 -2.93 116.57 118.54 1j3x h LYS 43 Ca 0.04 -0.07 -0.33 0.00 -1.87 0.00 0.00 60.65 58.43 1j3x h LYS 43 Cb 0.41 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1j3x h LYS 43 CO -0.00 0.66 -1.62 -0.22 -0.57 0.00 0.00 179.45 177.69 1j3x h LYS 44 N 0.07 0.33 -0.25 3.15 3.11 -1.13 -3.32 116.57 118.52 1j3x h LYS 44 Ca -0.01 -0.56 -0.01 0.00 -2.81 0.00 0.00 60.65 57.27 1j3x h LYS 44 Cb 1.06 0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 32.48 1j3x h LYS 44 CO 0.08 1.21 0.12 0.00 -2.81 0.00 0.00 179.45 178.05 1j3x h SER 46 N 0.35 0.74 0.27 0.00 4.64 -1.61 0.35 113.55 118.28 1j3x h SER 46 Ca 0.09 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 1j3x h SER 46 Cb 0.05 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1j3x h SER 46 CO -0.01 0.75 -0.21 -0.33 -0.87 0.00 0.00 176.83 176.16 1j3x h GLU 47 N 0.76 0.00 0.10 4.77 4.39 -1.43 -1.44 114.58 121.73 1j3x h GLU 47 Ca 0.16 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.50 1j3x h GLU 47 Cb 0.33 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1j3x h GLU 47 CO 0.00 0.21 -2.01 -2.13 -1.16 0.00 0.00 179.01 173.92 1j3x n ARG 48 N -4.11 0.74 0.17 2.33 0.63 -0.78 -3.50 116.66 112.13 1j3x n ARG 48 Ca -0.02 0.25 -0.14 0.00 -0.92 0.00 0.00 57.85 57.02 1j3x n ARG 48 Cb 0.28 -1.70 -0.08 0.00 0.45 0.00 0.00 32.46 31.41 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 0.06 -0.36 0.00 -0.14 2.91 -0.21 0.64 115.95 118.85 1j3x h TRP 49 Ca -0.42 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 59.57 1j3x h TRP 49 Cb 2.03 0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 30.79 1j3x h TRP 49 CO 0.07 -0.14 -0.09 0.87 -1.03 0.00 0.00 178.44 178.12 1j3x h LYS 50 N -0.51 0.00 0.00 2.65 1.57 -1.46 -2.12 116.57 116.70 1j3x h LYS 50 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1j3x h LYS 50 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1j3x h LYS 50 CO 0.07 0.09 -1.13 0.25 -0.57 0.00 0.00 179.45 178.15 1j3x n THR 51 N -3.88 0.35 -1.40 -0.16 -2.24 -1.00 -4.95 114.28 101.00 1j3x n THR 51 Ca -0.02 -0.41 -0.36 0.00 -2.27 0.00 0.00 64.05 60.99 1j3x n THR 51 Cb 0.18 -0.08 0.08 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.31 0.56 -1.89 -0.78 2.81 0.22 -4.98 117.12 110.75 1j3x n MET 52 Ca 0.00 0.24 -0.30 0.00 -1.81 0.00 0.00 57.70 55.84 1j3x n MET 52 Cb 0.50 -2.21 0.04 0.00 -0.71 0.00 0.00 33.22 30.85 1j3x n MET 52 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j3x s SER 53 N -1.58 5.60 0.46 7.83 0.15 -1.26 -4.82 113.70 120.08 1j3x s SER 53 Ca 0.74 1.18 0.22 0.00 0.70 0.00 0.00 55.95 58.79 1j3x s SER 53 Cb -0.35 -2.03 1.14 0.00 -1.71 0.00 0.00 66.02 63.07 1j3x s SER 53 CO 0.50 -1.25 1.96 0.00 1.20 0.00 0.00 173.24 175.65 1j3x h ALA 54 N -0.58 1.28 -0.05 5.45 0.00 -1.97 0.12 119.26 123.52 1j3x h ALA 54 Ca -0.45 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 1j3x h ALA 54 Cb 1.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1j3x h ALA 54 CO 0.63 0.26 -0.45 0.87 0.00 0.00 0.00 179.25 180.57 1j3x h LYS 55 N 0.00 0.11 0.08 0.00 1.57 -2.00 -1.45 116.57 114.89 1j3x h LYS 55 Ca -0.00 -0.06 -0.36 0.00 -1.87 0.00 0.00 60.65 58.36 1j3x h LYS 55 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1j3x h LYS 55 CO 0.03 0.54 -2.08 0.39 -0.57 0.00 0.00 179.45 177.76 1j3x n GLU 56 N -4.00 0.72 0.27 3.15 1.02 -0.92 -4.07 120.64 116.81 1j3x n GLU 56 Ca -0.02 0.23 0.15 0.00 -0.02 0.00 0.00 57.16 57.51 1j3x n GLU 56 Cb 0.49 -1.67 0.72 0.00 -0.02 0.00 0.00 31.44 30.96 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 0.05 0.00 -0.01 3.49 1.57 -0.78 -2.58 116.57 118.30 1j3x h LYS 57 Ca -0.44 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.22 1j3x h LYS 57 Cb 2.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.31 1j3x h LYS 57 CO 0.05 0.09 -0.52 0.66 -0.57 0.00 0.00 179.45 179.16 1j3x h SER 58 N 0.00 0.04 0.13 0.86 4.64 -1.40 -2.55 113.55 115.26 1j3x h SER 58 Ca -0.00 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1j3x h SER 58 Cb 0.44 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1j3x h SER 58 CO 0.01 0.55 -0.10 0.50 -0.87 0.00 0.00 176.83 176.92 1j3x h LYS 59 N 0.03 0.00 0.00 4.77 3.64 -1.63 -0.39 116.57 122.99 1j3x h LYS 59 Ca -0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 1j3x h LYS 59 Cb 0.92 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 1j3x h LYS 59 CO 0.07 0.10 -1.57 0.74 -2.27 0.00 0.00 179.45 176.52 1j3x h PHE 60 N 0.00 0.00 0.00 1.91 -1.00 -1.63 -3.33 116.94 112.89 1j3x h PHE 60 Ca -0.00 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 1j3x h PHE 60 Cb 0.19 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 1j3x h PHE 60 CO 0.00 0.88 -0.75 0.93 -1.61 0.00 0.00 178.31 177.76 1j3x h GLU 61 N 0.00 0.00 -0.05 1.51 5.08 -1.03 -2.73 114.58 117.36 1j3x h GLU 61 Ca -0.23 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.00 1j3x h GLU 61 Cb 1.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.11 1j3x h GLU 61 CO 0.07 0.75 -0.53 0.22 -1.00 0.00 0.00 179.01 178.53 1j3x h ASP 62 N 0.00 0.16 0.98 1.42 3.58 -1.22 -1.62 116.42 119.73 1j3x h ASP 62 Ca -0.01 -0.08 -0.21 0.00 0.42 0.00 0.00 57.03 57.15 1j3x h ASP 62 Cb 1.42 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.39 1j3x h ASP 62 CO 0.10 0.66 -1.06 -0.03 -2.88 0.00 0.00 179.24 176.03 1j3x h MET 63 N 0.12 0.00 0.00 0.28 4.05 -1.65 -3.03 114.93 114.69 1j3x h MET 63 Ca 0.00 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.23 1j3x h MET 63 Cb 0.97 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.74 1j3x h MET 63 CO 0.08 0.81 -0.89 0.00 0.23 0.00 0.00 176.91 177.14 1j3x h ALA 64 N 1.09 0.47 0.00 0.39 0.00 -1.37 -3.16 119.26 116.68 1j3x h ALA 64 Ca -0.06 -0.81 -0.17 0.00 0.00 0.00 0.00 54.91 53.87 1j3x h ALA 64 Cb 1.74 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1j3x h ALA 64 CO 0.11 1.11 -0.80 -0.22 0.00 0.00 0.00 179.25 179.45 1j3x h LYS 65 N 0.00 0.00 -0.02 0.00 1.63 -1.37 -2.64 116.57 114.16 1j3x h LYS 65 Ca -0.01 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 1j3x h LYS 65 Cb 1.63 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.25 1j3x h LYS 65 CO 0.12 0.80 -0.61 1.03 -3.45 0.00 0.00 179.45 177.33 1j3x h SER 66 N 0.00 0.10 0.88 4.20 0.87 -1.56 -2.96 113.55 115.07 1j3x h SER 66 Ca -0.01 -0.06 -0.22 0.00 -1.23 0.00 0.00 61.79 60.27 1j3x h SER 66 Cb 1.52 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.42 1j3x h SER 66 CO 0.10 0.69 -1.18 -0.78 -0.53 0.00 0.00 176.83 175.13 1j3x h ASP 67 N 0.06 0.00 0.41 6.23 1.82 -1.55 -2.93 116.42 120.46 1j3x h ASP 67 Ca -0.01 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.55 1j3x h ASP 67 Cb 1.10 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.10 1j3x h ASP 67 CO 0.09 0.96 -0.41 0.50 -1.61 0.00 0.00 179.24 178.76 1j3x h LYS 68 N 0.00 0.01 0.00 0.28 3.11 -1.40 -2.13 116.57 116.44 1j3x h LYS 68 Ca -0.09 -0.00 -0.23 0.00 -2.81 0.00 0.00 60.65 57.52 1j3x h LYS 68 Cb 1.81 -0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 33.00 1j3x h LYS 68 CO 0.11 0.42 -1.34 0.00 -2.81 0.00 0.00 179.45 175.83 1j3x h ALA 69 N 1.58 0.62 0.00 5.00 0.00 -1.59 -3.26 119.26 121.62 1j3x h ALA 69 Ca -0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 54.91 53.67 1j3x h ALA 69 Cb 0.73 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1j3x h ALA 69 CO 0.05 1.28 -0.63 -0.09 0.00 0.00 0.00 179.25 179.86 1j3x h ARG 70 N 0.00 0.00 0.00 0.00 9.65 -1.33 -3.11 114.38 119.58 1j3x h ARG 70 Ca -0.16 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.57 1j3x h ARG 70 Cb 1.81 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.36 1j3x h ARG 70 CO 0.09 0.63 -0.74 -0.92 2.80 0.00 0.00 179.97 181.83 1j3x h TYR 71 N 0.00 0.00 -0.05 2.20 5.03 -1.49 -1.97 116.97 120.69 1j3x h TYR 71 Ca -0.01 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.21 1j3x h TYR 71 Cb 1.21 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.48 1j3x h TYR 71 CO 0.00 0.74 -0.42 0.22 -1.32 0.00 0.00 178.16 177.38 1j3x h ASP 72 N 0.00 0.12 0.40 -2.11 1.82 -1.58 -2.42 116.42 112.65 1j3x h ASP 72 Ca -0.01 -0.05 -0.31 0.00 -0.39 0.00 0.00 57.03 56.27 1j3x h ASP 72 Cb 1.41 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 41.35 1j3x h ASP 72 CO 0.10 0.53 -1.73 0.03 -1.61 0.00 0.00 179.24 176.56 1j3x h ARG 73 N 0.09 0.12 -0.53 0.28 3.08 -1.55 -2.37 114.38 113.50 1j3x h ARG 73 Ca 0.01 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.78 1j3x h ARG 73 Cb 0.79 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 1j3x h ARG 73 CO 0.06 0.84 0.05 1.49 -1.07 0.00 0.00 179.97 181.34 1j3x h GLU 74 N 0.03 0.86 0.00 0.04 4.57 -1.30 -3.34 114.58 115.45 1j3x h GLU 74 Ca -0.31 -0.22 -0.05 0.00 -1.18 0.00 0.00 59.36 57.61 1j3x h GLU 74 Cb 2.01 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.49 1j3x h GLU 74 CO 0.10 0.83 -0.65 0.52 -1.18 0.00 0.00 179.01 178.63 1j3x h MET 75 N 0.81 0.00 0.00 1.92 2.86 -1.58 -3.49 114.93 115.46 1j3x h MET 75 Ca 0.16 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.49 1j3x h MET 75 Cb 0.41 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.13 1j3x h MET 75 CO 0.01 0.21 0.07 1.63 1.06 0.00 0.00 176.91 179.90 1j3x n LYS 76 N -4.58 0.15 0.00 1.72 5.02 -0.89 -5.11 118.16 114.47 1j3x n LYS 76 Ca -0.12 -1.85 0.13 0.00 -2.02 0.00 0.00 58.31 54.45 1j3x n LYS 76 Cb 0.34 -0.44 0.32 0.00 -0.02 0.00 0.00 35.03 35.24 1j3x n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17