#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 3.88 2.96 3.03 0.00 -1.26 -5.02 105.19 108.77 1j3x n GLY 2 Ca 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.32 -2.65 1.61 4.81 -1.26 -4.93 118.16 113.43 1j3x n LYS 3 Ca 0.00 2.01 -0.36 0.00 -0.87 0.00 0.00 58.31 59.09 1j3x n LYS 3 Cb 0.00 -4.02 -0.05 0.00 0.02 0.00 0.00 35.03 30.98 1j3x n LYS 3 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1j3x s GLY 4 N -1.68 2.70 -0.05 3.14 0.00 -1.19 -4.99 107.32 105.24 1j3x s GLY 4 Ca 0.10 0.61 -0.17 0.00 0.00 0.00 0.00 44.72 45.26 1j3x s GLY 4 CO 0.61 1.01 0.68 -0.55 0.00 0.00 0.00 173.10 174.85 1j3x h ASP 5 N 2.57 -0.27 -0.09 1.64 5.19 -2.00 -3.36 116.42 120.11 1j3x h ASP 5 Ca -0.48 -0.19 -0.17 0.00 -0.62 0.00 0.00 57.03 55.58 1j3x h ASP 5 Cb 1.20 0.07 0.01 0.00 0.18 0.00 0.00 39.33 40.79 1j3x h ASP 5 CO 0.63 0.25 -0.60 1.55 -3.12 0.00 0.00 179.24 177.95 1j3x h PRO 6 N -0.99 0.56 0.00 3.56 0.13 -1.94 -3.47 132.00 129.85 1j3x h PRO 6 Ca -0.03 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1j3x h PRO 6 Cb 0.44 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1j3x h PRO 6 CO 0.05 1.11 0.00 0.09 -0.23 0.00 0.00 178.00 179.02 1j3x n ASN 7 N -4.16 1.19 -3.15 1.44 3.02 -1.26 -5.10 115.26 107.24 1j3x n ASN 7 Ca -0.09 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.28 1j3x n ASN 7 Cb 0.65 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.80 1j3x n ASN 7 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1j3x n LYS 8 N 0.00 0.92 -2.36 3.52 4.81 -1.26 -3.13 118.16 120.65 1j3x n LYS 8 Ca 0.00 -3.21 -0.43 0.00 -0.87 0.00 0.00 58.31 53.81 1j3x n LYS 8 Cb 0.00 -1.55 -0.02 0.00 0.02 0.00 0.00 35.03 33.47 1j3x n LYS 8 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1j3x s PRO 9 N -1.91 4.24 -0.46 1.64 0.04 -1.26 -4.84 135.00 132.46 1j3x s PRO 9 Ca 0.37 1.76 0.04 0.00 0.04 0.00 0.00 61.00 63.21 1j3x s PRO 9 Cb 0.31 -3.76 0.66 0.00 0.04 0.00 0.00 34.50 31.75 1j3x s PRO 9 CO -0.09 -0.68 1.92 -2.13 0.04 0.00 0.00 177.00 176.06 1j3x n ARG 10 N 6.42 2.26 0.00 4.56 0.63 -1.26 -4.60 116.66 124.66 1j3x n ARG 10 Ca 0.14 -3.01 0.00 0.00 -0.92 0.00 0.00 57.85 54.06 1j3x n ARG 10 Cb 0.45 -2.18 0.00 0.00 0.45 0.00 0.00 32.46 31.18 1j3x n ARG 10 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j3x n GLY 11 N -1.13 -1.60 3.33 5.14 0.00 -1.26 -4.92 105.19 104.75 1j3x n GLY 11 Ca 0.60 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 1j3x n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j3x s LYS 12 N 0.00 1.26 -0.22 1.61 1.02 -1.26 -5.00 119.74 117.15 1j3x s LYS 12 Ca 0.00 -1.32 0.15 0.00 0.02 0.00 0.00 55.97 54.81 1j3x s LYS 12 Cb 0.00 -1.49 0.65 0.00 -0.52 0.00 0.00 37.83 36.47 1j3x s LYS 12 CO 0.00 0.33 1.58 -1.33 -0.92 0.00 0.00 175.35 175.01 1j3x n MET 13 N 0.66 3.61 0.00 1.68 2.81 -1.26 -5.03 117.12 119.59 1j3x n MET 13 Ca -0.16 -3.00 0.00 0.00 -1.81 0.00 0.00 57.70 52.73 1j3x n MET 13 Cb 0.55 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 1j3x n MET 13 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j3x n SER 14 N -0.14 -0.43 -0.02 7.83 2.88 -1.26 -0.57 113.62 121.91 1j3x n SER 14 Ca 0.26 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.88 1j3x n SER 14 Cb 1.06 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 64.36 1j3x n SER 14 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1j3x n SER 15 N -3.77 0.14 -0.05 -3.46 3.41 -1.26 -3.90 113.62 104.74 1j3x n SER 15 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1j3x n SER 15 Cb 0.00 1.82 -0.14 0.00 -0.26 0.00 0.00 64.21 65.63 1j3x n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j3x n TYR 16 N -2.31 0.67 0.12 7.33 4.19 -1.26 -3.81 117.16 122.08 1j3x n TYR 16 Ca -0.08 0.20 -0.03 0.00 3.31 0.00 0.00 57.90 61.30 1j3x n TYR 16 Cb 0.64 -1.11 0.09 0.00 0.49 0.00 0.00 39.34 39.45 1j3x n TYR 16 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1j3x h ALA 17 N 0.60 0.78 0.00 2.98 0.00 -1.63 -3.05 119.26 118.94 1j3x h ALA 17 Ca -0.43 -0.65 -0.11 0.00 0.00 0.00 0.00 54.91 53.72 1j3x h ALA 17 Cb 2.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 1j3x h ALA 17 CO 0.04 0.90 -0.51 0.74 0.00 0.00 0.00 179.25 180.43 1j3x h PHE 18 N 0.00 0.00 -0.06 0.00 0.04 -0.95 -3.16 116.94 112.81 1j3x h PHE 18 Ca -0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1j3x h PHE 18 Cb 1.29 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.44 1j3x h PHE 18 CO 0.00 0.51 0.04 0.35 -0.60 0.00 0.00 178.31 178.60 1j3x h PHE 19 N 0.00 0.08 0.00 -0.55 3.57 -1.63 -0.72 116.94 117.69 1j3x h PHE 19 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1j3x h PHE 19 Cb 0.96 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1j3x h PHE 19 CO 0.00 0.11 -0.08 0.28 -2.23 0.00 0.00 178.31 176.39 1j3x h VAL 20 N 0.03 0.91 0.00 1.41 2.07 -1.62 0.22 116.25 119.26 1j3x h VAL 20 Ca 0.02 -0.30 -0.18 0.00 0.82 0.00 0.00 66.70 67.06 1j3x h VAL 20 Cb 0.05 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1j3x h VAL 20 CO -0.00 0.08 -0.86 -0.61 0.02 0.00 0.00 177.57 176.20 1j3x h GLN 21 N 0.00 0.00 0.00 1.57 5.75 -1.37 -1.96 115.11 119.09 1j3x h GLN 21 Ca -0.00 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.26 1j3x h GLN 21 Cb 0.16 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 1j3x h GLN 21 CO 0.01 0.86 -1.47 1.15 -2.65 0.00 0.00 178.83 176.73 1j3x h THR 22 N 0.00 0.87 0.00 2.39 2.02 -0.24 -3.27 112.91 114.67 1j3x h THR 22 Ca -0.01 -2.59 -0.19 0.00 0.77 0.00 0.00 66.41 64.40 1j3x h THR 22 Cb 1.57 2.37 -0.03 0.00 -1.74 0.00 0.00 68.15 70.33 1j3x h THR 22 CO 0.11 0.50 -1.05 0.28 0.37 0.00 0.00 175.52 175.73 1j3x h SER 23 N 0.00 0.00 -0.25 4.18 0.02 -0.66 -3.27 113.55 113.56 1j3x h SER 23 Ca -0.20 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.55 1j3x h SER 23 Cb 1.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.38 1j3x h SER 23 CO 0.08 0.79 -0.62 -0.09 -1.14 0.00 0.00 176.83 175.85 1j3x h ARG 24 N 0.00 0.86 0.55 3.45 2.43 -1.49 -2.22 114.38 117.96 1j3x h ARG 24 Ca -0.08 -0.59 -0.03 0.00 -0.81 0.00 0.00 59.98 58.47 1j3x h ARG 24 Cb 1.68 0.09 0.01 0.00 -0.42 0.00 0.00 29.97 31.32 1j3x h ARG 24 CO 0.09 1.22 -0.26 0.93 -1.51 0.00 0.00 179.97 180.44 1j3x h GLU 25 N 0.64 -0.71 0.00 0.20 5.08 -1.67 -1.87 114.58 116.26 1j3x h GLU 25 Ca -0.01 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1j3x h GLU 25 Cb 1.24 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 1j3x h GLU 25 CO 0.13 -0.45 -0.06 1.49 -1.00 0.00 0.00 179.01 179.13 1j3x h GLU 26 N -0.79 0.00 -0.28 2.33 4.81 -1.64 -2.30 114.58 116.71 1j3x h GLU 26 Ca -0.07 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 1j3x h GLU 26 Cb 0.59 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1j3x h GLU 26 CO 0.12 0.06 -0.51 1.25 -0.73 0.00 0.00 179.01 179.20 1j3x h HIS 27 N 0.00 1.01 0.00 0.92 2.76 -0.90 -2.91 115.15 116.02 1j3x h HIS 27 Ca -0.00 -0.34 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 1j3x h HIS 27 Cb 0.15 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.92 1j3x h HIS 27 CO 0.00 1.15 0.00 1.63 -1.30 0.00 0.00 177.93 179.41 1j3x n LYS 28 N -4.01 0.16 0.08 5.26 4.76 -0.75 -2.12 118.16 121.55 1j3x n LYS 28 Ca -0.04 0.39 0.05 0.00 -2.87 0.00 0.00 58.31 55.84 1j3x n LYS 28 Cb 0.60 -1.81 -0.02 0.00 -1.84 0.00 0.00 35.03 31.96 1j3x n LYS 28 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1j3x h LYS 29 N 0.00 0.00 -0.06 1.97 1.57 -1.46 -3.36 116.57 115.22 1j3x h LYS 29 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j3x h LYS 29 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1j3x h LYS 29 CO 0.00 0.21 0.00 0.36 -0.57 0.00 0.00 179.45 179.45 1j3x n LYS 30 N -2.88 1.91 -3.25 3.15 2.85 -1.08 -4.84 118.16 114.01 1j3x n LYS 30 Ca -0.04 -2.44 -0.22 0.00 -1.05 0.00 0.00 58.31 54.56 1j3x n LYS 30 Cb 0.71 -1.48 -0.08 0.00 -0.65 0.00 0.00 35.03 33.54 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 -1.05 -1.61 -0.03 5.58 8.25 -0.90 -4.99 115.22 120.48 1j3x n HIS 31 Ca 0.14 -2.86 -0.14 0.00 -0.26 0.00 0.00 57.72 54.60 1j3x n HIS 31 Cb 0.62 0.55 -0.11 0.00 1.12 0.00 0.00 29.99 32.17 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 5.49 0.16 -2.38 -0.41 0.13 -1.87 -3.34 132.00 129.77 1j3x h PRO 32 Ca 0.22 -0.14 -0.80 0.00 -0.87 0.00 0.00 66.00 64.41 1j3x h PRO 32 Cb 0.96 0.03 -0.28 0.00 0.13 0.00 0.00 31.00 31.84 1j3x h PRO 32 CO 0.29 0.83 0.92 -0.25 -0.23 0.00 0.00 178.00 179.56 1j3x n ASP 33 N -4.57 7.05 -3.65 1.44 9.92 -1.26 -4.92 116.55 120.56 1j3x n ASP 33 Ca -0.09 -3.63 -0.06 0.00 -0.53 0.00 0.00 54.79 50.48 1j3x n ASP 33 Cb 0.44 -1.16 -0.07 0.00 -0.64 0.00 0.00 41.12 39.69 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1j3x s SER 34 N -1.52 -0.91 0.63 -2.24 0.15 -1.26 -5.16 113.70 103.38 1j3x s SER 34 Ca 0.38 1.43 -0.10 0.00 0.70 0.00 0.00 55.95 58.36 1j3x s SER 34 Cb 0.16 1.61 -0.01 0.00 -1.71 0.00 0.00 66.02 66.08 1j3x s SER 34 CO -0.08 -0.23 1.00 -0.55 1.20 0.00 0.00 173.24 174.58 1j3x s SER 35 N 2.10 5.87 -0.42 5.45 0.15 -1.26 -5.00 113.70 120.59 1j3x s SER 35 Ca -0.08 1.15 0.04 0.00 0.70 0.00 0.00 55.95 57.76 1j3x s SER 35 Cb -0.08 -2.14 0.29 0.00 -1.71 0.00 0.00 66.02 62.37 1j3x s SER 35 CO -0.18 -1.02 1.12 0.55 1.20 0.00 0.00 173.24 174.91 1j3x n VAL 36 N -2.75 0.00 0.00 4.45 3.14 -1.26 -5.04 118.33 116.88 1j3x n VAL 36 Ca 0.05 -1.17 0.00 0.00 -2.96 0.00 0.00 64.34 60.26 1j3x n VAL 36 Cb 0.56 1.33 0.00 0.00 -1.06 0.00 0.00 33.84 34.67 1j3x n VAL 36 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1j3x n ASN 37 N 1.05 -1.91 -0.12 6.55 0.23 -1.26 -4.63 115.26 115.18 1j3x n ASN 37 Ca 0.04 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.96 1j3x n ASN 37 Cb 0.69 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.36 1j3x n ASN 37 CO 0.00 0.00 0.00 -0.26 -0.93 0.00 0.00 177.26 176.07 1j3x h PHE 38 N -1.95 0.93 -0.14 -2.53 0.04 -2.01 -2.92 116.94 108.35 1j3x h PHE 38 Ca 0.00 -0.25 -0.06 0.00 2.80 0.00 0.00 57.97 60.45 1j3x h PHE 38 Cb 0.00 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 37.94 1j3x h PHE 38 CO 0.00 1.02 -0.16 0.00 -0.60 0.00 0.00 178.31 178.56 1j3x h ALA 39 N 0.77 0.21 0.00 2.45 0.00 -1.96 1.40 119.26 122.12 1j3x h ALA 39 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1j3x h ALA 39 Cb 0.81 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1j3x h ALA 39 CO 0.07 0.11 0.00 1.49 0.00 0.00 0.00 179.25 180.92 1j3x h GLU 40 N -0.02 0.00 0.00 0.00 4.81 -1.89 -2.51 114.58 114.98 1j3x h GLU 40 Ca 0.02 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 1j3x h GLU 40 Cb 0.70 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1j3x h GLU 40 CO 0.04 0.00 -1.63 0.34 -0.73 0.00 0.00 179.01 177.03 1j3x n PHE 41 N -2.63 0.00 0.29 0.92 7.35 -1.07 -4.33 117.46 117.99 1j3x n PHE 41 Ca -0.02 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.87 1j3x n PHE 41 Cb 0.07 -0.42 1.03 0.00 0.35 0.00 0.00 39.48 40.51 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 -0.09 0.00 0.71 -2.13 4.64 0.19 -0.83 113.55 116.05 1j3x h SER 42 Ca -0.26 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.87 1j3x h SER 42 Cb 1.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.41 1j3x h SER 42 CO -0.07 0.00 -1.41 0.11 -0.87 0.00 0.00 176.83 174.59 1j3x h LYS 43 N 0.00 0.00 0.12 4.77 1.57 -1.64 -3.37 116.57 118.03 1j3x h LYS 43 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1j3x h LYS 43 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1j3x h LYS 43 CO 0.00 0.37 -1.63 -0.22 -0.57 0.00 0.00 179.45 177.39 1j3x h LYS 44 N 0.00 0.26 -0.10 3.15 3.11 -1.39 -3.33 116.57 118.28 1j3x h LYS 44 Ca -0.18 -0.44 0.03 0.00 -2.81 0.00 0.00 60.65 57.25 1j3x h LYS 44 Cb 1.68 0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 33.07 1j3x h LYS 44 CO 0.06 1.12 0.09 0.00 -2.81 0.00 0.00 179.45 177.90 1j3x h SER 46 N 0.00 0.00 0.80 0.00 4.64 -1.71 0.21 113.55 117.49 1j3x h SER 46 Ca 0.05 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.25 1j3x h SER 46 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1j3x h SER 46 CO -0.00 0.32 -0.54 -0.33 -0.87 0.00 0.00 176.83 175.40 1j3x h GLU 47 N 0.00 0.00 0.05 4.77 4.39 -1.24 -2.65 114.58 119.90 1j3x h GLU 47 Ca -0.00 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.33 1j3x h GLU 47 Cb 0.62 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.22 1j3x h GLU 47 CO 0.04 0.54 -2.15 -2.13 -1.16 0.00 0.00 179.01 174.15 1j3x n ARG 48 N -3.62 0.70 -0.06 2.33 0.63 -0.97 -3.75 116.66 111.92 1j3x n ARG 48 Ca -0.00 0.20 -0.11 0.00 -0.92 0.00 0.00 57.85 57.01 1j3x n ARG 48 Cb 0.61 -1.64 -0.05 0.00 0.45 0.00 0.00 32.46 31.83 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 0.03 0.32 0.00 -0.14 2.91 -0.65 0.20 115.95 118.61 1j3x h TRP 49 Ca -0.47 -0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.48 1j3x h TRP 49 Cb 2.02 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 30.57 1j3x h TRP 49 CO 0.04 0.41 -0.17 0.87 -1.03 0.00 0.00 178.44 178.56 1j3x h LYS 50 N 0.14 0.00 0.00 2.65 6.56 -1.67 -2.53 116.57 121.72 1j3x h LYS 50 Ca 0.06 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.45 1j3x h LYS 50 Cb 0.24 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.87 1j3x h LYS 50 CO -0.00 0.17 -1.24 1.79 -2.06 0.00 0.00 179.45 178.11 1j3x h THR 51 N 0.00 0.95 -3.65 -0.16 1.35 -1.56 -3.46 112.91 106.38 1j3x h THR 51 Ca -0.00 -2.58 -0.53 0.00 -0.55 0.00 0.00 66.41 62.75 1j3x h THR 51 Cb 0.36 2.41 0.09 0.00 -1.73 0.00 0.00 68.15 69.28 1j3x h THR 51 CO 0.02 0.54 0.82 -0.04 -0.25 0.00 0.00 175.52 176.62 1j3x s MET 52 N -2.78 4.12 0.52 4.72 -1.94 0.67 -5.00 119.30 119.62 1j3x s MET 52 Ca -0.01 2.56 -0.04 0.00 -1.71 0.00 0.00 55.69 56.49 1j3x s MET 52 Cb 0.09 -3.00 -0.01 0.00 2.01 0.00 0.00 34.83 33.92 1j3x s MET 52 CO 0.81 -0.57 0.80 -1.12 -0.01 0.00 0.00 175.02 174.93 1j3x s SER 53 N 0.15 5.82 0.50 3.03 0.01 -1.26 -4.78 113.70 117.16 1j3x s SER 53 Ca 0.57 0.63 0.24 0.00 1.31 0.00 0.00 55.95 58.71 1j3x s SER 53 Cb -0.47 -1.78 1.32 0.00 0.21 0.00 0.00 66.02 65.30 1j3x s SER 53 CO 0.56 -0.84 1.94 0.00 0.41 0.00 0.00 173.24 175.31 1j3x h ALA 54 N 0.09 2.48 0.00 1.44 0.00 -1.94 0.34 119.26 121.67 1j3x h ALA 54 Ca -0.46 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1j3x h ALA 54 Cb 1.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1j3x h ALA 54 CO 0.60 -0.68 -0.54 0.87 0.00 0.00 0.00 179.25 179.50 1j3x h LYS 55 N 0.12 0.00 0.09 0.00 1.57 -2.00 -2.48 116.57 113.87 1j3x h LYS 55 Ca 0.33 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.78 1j3x h LYS 55 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1j3x h LYS 55 CO -0.04 0.54 -1.79 0.93 -0.57 0.00 0.00 179.45 178.51 1j3x h GLU 56 N 0.00 0.19 -0.81 3.15 5.08 -0.85 -3.34 114.58 117.99 1j3x h GLU 56 Ca -0.01 -0.33 -0.16 0.00 -1.00 0.00 0.00 59.36 57.87 1j3x h GLU 56 Cb 1.13 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 1j3x h GLU 56 CO 0.07 0.99 0.20 0.36 -1.00 0.00 0.00 179.01 179.63 1j3x n LYS 57 N -3.35 3.12 0.10 2.33 2.85 0.65 -4.27 118.16 119.59 1j3x n LYS 57 Ca -0.24 -2.32 -0.04 0.00 -1.05 0.00 0.00 58.31 54.67 1j3x n LYS 57 Cb 1.05 -2.00 0.01 0.00 -0.65 0.00 0.00 35.03 33.45 1j3x n LYS 57 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1j3x h SER 58 N 2.08 0.00 -0.02 -5.58 4.64 -1.57 -2.97 113.55 110.13 1j3x h SER 58 Ca 0.19 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.41 1j3x h SER 58 Cb 1.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.01 1j3x h SER 58 CO 0.56 0.80 -0.30 0.50 -0.87 0.00 0.00 176.83 177.52 1j3x h LYS 59 N 0.00 0.47 -0.13 4.77 3.64 -1.87 -0.51 116.57 122.93 1j3x h LYS 59 Ca -0.01 -0.19 -0.16 0.00 -1.27 0.00 0.00 60.65 59.02 1j3x h LYS 59 Cb 1.46 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.27 1j3x h LYS 59 CO 0.10 0.72 -0.54 0.74 -2.27 0.00 0.00 179.45 178.20 1j3x h PHE 60 N 0.41 0.80 0.00 1.91 0.04 -1.86 -1.20 116.94 117.04 1j3x h PHE 60 Ca 0.05 -0.34 -0.10 0.00 2.80 0.00 0.00 57.97 60.38 1j3x h PHE 60 Cb 0.73 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 1j3x h PHE 60 CO 0.02 1.13 -0.47 1.49 -0.60 0.00 0.00 178.31 179.88 1j3x h GLU 61 N 0.25 0.00 0.00 1.51 4.81 -1.43 -2.26 114.58 117.46 1j3x h GLU 61 Ca -0.03 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.00 1j3x h GLU 61 Cb 1.17 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1j3x h GLU 61 CO 0.11 0.47 -0.95 -0.44 -0.73 0.00 0.00 179.01 177.47 1j3x h ASP 62 N 0.00 0.00 0.85 1.04 3.32 -1.05 -2.92 116.42 117.65 1j3x h ASP 62 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1j3x h ASP 62 Cb 0.85 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1j3x h ASP 62 CO 0.06 0.94 -0.80 0.24 -1.72 0.00 0.00 179.24 177.96 1j3x h MET 63 N 0.00 0.00 0.05 3.56 2.86 -1.02 -2.92 114.93 117.47 1j3x h MET 63 Ca -0.01 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.36 1j3x h MET 63 Cb 1.73 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.41 1j3x h MET 63 CO 0.12 0.80 -1.11 0.00 1.06 0.00 0.00 176.91 177.79 1j3x h ALA 64 N 1.20 0.13 -0.06 6.32 0.00 -1.45 -3.21 119.26 122.19 1j3x h ALA 64 Ca -0.01 -0.74 -0.08 0.00 0.00 0.00 0.00 54.91 54.08 1j3x h ALA 64 Cb 1.44 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1j3x h ALA 64 CO 0.10 0.74 -0.33 -0.22 0.00 0.00 0.00 179.25 179.54 1j3x h LYS 65 N 0.30 0.11 -0.31 0.00 3.11 -1.55 0.19 116.57 118.42 1j3x h LYS 65 Ca -0.14 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.64 1j3x h LYS 65 Cb 1.77 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.98 1j3x h LYS 65 CO 0.21 0.43 0.11 1.03 -2.81 0.00 0.00 179.45 178.42 1j3x h SER 66 N 0.10 0.44 1.02 4.20 0.87 -1.52 0.04 113.55 118.69 1j3x h SER 66 Ca 0.01 -0.19 -0.20 0.00 -1.23 0.00 0.00 61.79 60.18 1j3x h SER 66 Cb 0.64 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 1j3x h SER 66 CO 0.05 0.51 -1.01 -0.78 -0.53 0.00 0.00 176.83 175.07 1j3x h ASP 67 N 0.35 0.00 0.49 6.23 1.82 -1.52 -2.35 116.42 121.43 1j3x h ASP 67 Ca 0.10 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.62 1j3x h ASP 67 Cb 0.22 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.22 1j3x h ASP 67 CO -0.01 0.89 -0.57 0.50 -1.61 0.00 0.00 179.24 178.45 1j3x h LYS 68 N 0.00 0.08 0.00 0.28 3.64 -0.50 -1.97 116.57 118.11 1j3x h LYS 68 Ca -0.05 -0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 59.02 1j3x h LYS 68 Cb 1.72 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.51 1j3x h LYS 68 CO 0.11 0.63 -1.54 0.00 -2.27 0.00 0.00 179.45 176.38 1j3x h ALA 69 N 1.36 0.70 0.00 5.00 0.00 -1.04 -3.34 119.26 121.94 1j3x h ALA 69 Ca -0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 54.91 53.52 1j3x h ALA 69 Cb 1.02 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1j3x h ALA 69 CO 0.08 1.42 -0.50 -0.09 0.00 0.00 0.00 179.25 180.15 1j3x h ARG 70 N 0.00 0.00 -0.07 0.00 2.43 -1.38 -3.15 114.38 112.22 1j3x h ARG 70 Ca -0.22 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1j3x h ARG 70 Cb 1.90 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.45 1j3x h ARG 70 CO 0.08 0.50 0.05 -0.92 -1.51 0.00 0.00 179.97 178.18 1j3x h TYR 71 N 0.00 0.00 -0.14 2.20 5.03 -1.47 -0.96 116.97 121.62 1j3x h TYR 71 Ca -0.01 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.24 1j3x h TYR 71 Cb 1.19 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.46 1j3x h TYR 71 CO 0.00 0.00 -0.18 0.22 -1.32 0.00 0.00 178.16 176.88 1j3x h ASP 72 N 0.00 0.23 -0.54 -2.11 3.58 -1.74 -2.88 116.42 112.96 1j3x h ASP 72 Ca 0.03 -0.06 -0.35 0.00 0.42 0.00 0.00 57.03 57.07 1j3x h ASP 72 Cb 0.14 -0.06 -0.23 0.00 1.72 0.00 0.00 39.33 40.90 1j3x h ASP 72 CO -0.00 0.43 -0.26 0.54 -2.88 0.00 0.00 179.24 177.07 1j3x n ARG 73 N -4.23 2.53 -0.03 0.28 1.74 -0.41 -4.39 116.66 112.15 1j3x n ARG 73 Ca -0.01 -3.56 -0.04 0.00 -0.77 0.00 0.00 57.85 53.48 1j3x n ARG 73 Cb 0.31 -2.02 -0.04 0.00 -1.02 0.00 0.00 32.46 29.69 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 -0.96 2.08 -0.11 5.56 2.13 -0.93 -4.74 120.64 123.67 1j3x n GLU 74 Ca 0.39 0.01 -0.12 0.00 0.66 0.00 0.00 57.16 58.11 1j3x n GLU 74 Cb 0.93 -1.16 -0.15 0.00 0.27 0.00 0.00 31.44 31.33 1j3x n GLU 74 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1j3x n MET 75 N -2.39 0.68 -3.71 5.31 2.81 -1.25 -4.56 117.12 114.00 1j3x n MET 75 Ca -0.11 0.03 -0.14 0.00 -1.81 0.00 0.00 57.70 55.66 1j3x n MET 75 Cb 0.68 -1.52 -0.08 0.00 -0.71 0.00 0.00 33.22 31.59 1j3x n MET 75 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1j3x s LYS 76 N -2.50 0.71 0.00 0.03 -2.85 -1.26 -4.99 119.74 108.88 1j3x s LYS 76 Ca -0.16 0.00 0.13 0.00 -1.00 0.00 0.00 55.97 54.94 1j3x s LYS 76 Cb 0.07 0.32 0.11 0.00 -2.06 0.00 0.00 37.83 36.27 1j3x s LYS 76 CO 0.77 -0.19 0.92 0.09 0.10 0.00 0.00 175.35 177.04