#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 -1.31 1.56 -5.12 0.00 -1.26 -4.95 105.19 94.11 1j3x n GLY 2 Ca 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.25 0.38 0.00 1.61 3.00 -1.26 -5.10 118.16 115.54 1j3x n LYS 3 Ca 0.00 -1.48 0.00 0.00 -0.00 0.00 0.00 58.31 56.83 1j3x n LYS 3 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 35.03 35.23 1j3x n LYS 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j3x n GLY 4 N -0.20 0.80 3.85 3.14 0.00 -1.26 -4.87 105.19 106.65 1j3x n GLY 4 Ca -0.15 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.90 4.95 0.05 1.61 1.11 -1.24 -4.96 116.67 117.29 1j3x s ASP 5 Ca 0.00 -0.79 -0.17 0.00 0.18 0.00 0.00 52.55 51.77 1j3x s ASP 5 Cb 0.00 -0.59 -0.18 0.00 1.07 0.00 0.00 42.92 43.22 1j3x s ASP 5 CO 0.00 -0.60 1.24 1.55 1.18 0.00 0.00 175.17 178.53 1j3x h PRO 6 N 1.12 0.56 0.00 8.23 0.13 -2.00 -3.40 132.00 136.64 1j3x h PRO 6 Ca -0.42 -0.46 -0.03 0.00 -0.87 0.00 0.00 66.00 64.23 1j3x h PRO 6 Cb 1.26 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 1j3x h PRO 6 CO 0.60 1.08 -1.10 0.09 -0.23 0.00 0.00 178.00 178.44 1j3x n ASN 7 N -4.19 4.37 -4.89 1.44 3.02 -1.26 -5.05 115.26 108.70 1j3x n ASN 7 Ca -0.08 -0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.17 1j3x n ASN 7 Cb 0.62 0.33 0.03 0.00 -0.61 0.00 0.00 39.78 40.16 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 -2.04 3.08 0.98 3.52 1.02 -1.26 -5.06 119.74 119.99 1j3x s LYS 8 Ca -0.01 0.40 -0.13 0.00 0.02 0.00 0.00 55.97 56.24 1j3x s LYS 8 Cb 0.00 -2.12 0.18 0.00 -0.52 0.00 0.00 37.83 35.37 1j3x s LYS 8 CO 0.05 -0.79 1.13 -1.25 -0.92 0.00 0.00 175.35 173.56 1j3x s PRO 9 N -5.19 0.58 1.36 -1.68 0.04 -1.26 -3.59 135.00 125.26 1j3x s PRO 9 Ca 0.56 0.29 -0.21 0.00 0.04 0.00 0.00 61.00 61.68 1j3x s PRO 9 Cb -0.11 -1.77 0.34 0.00 0.04 0.00 0.00 34.50 32.99 1j3x s PRO 9 CO 0.50 -2.58 0.82 2.89 0.04 0.00 0.00 177.00 178.67 1j3x n ARG 10 N -4.03 -4.04 -2.77 4.56 1.85 -1.26 -4.09 116.66 106.88 1j3x n ARG 10 Ca 0.07 -1.19 -0.32 0.00 -1.00 0.00 0.00 57.85 55.41 1j3x n ARG 10 Cb 0.59 -1.92 -0.02 0.00 -1.05 0.00 0.00 32.46 30.06 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 1.79 5.80 1.55 2.89 0.00 -1.26 -4.91 105.19 111.05 1j3x n GLY 11 Ca 0.10 -2.71 0.12 0.00 0.00 0.00 0.00 46.02 43.53 1j3x n GLY 11 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j3x n LYS 12 N -0.23 -1.77 0.00 1.61 4.81 -1.26 -4.92 118.16 116.40 1j3x n LYS 12 Ca 0.37 1.17 0.00 0.00 -0.87 0.00 0.00 58.31 58.98 1j3x n LYS 12 Cb 0.37 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.26 1j3x n LYS 12 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1j3x n MET 13 N -2.85 0.00 -1.30 1.64 2.81 -1.26 -5.08 117.12 111.08 1j3x n MET 13 Ca 0.01 0.00 0.16 0.00 -1.81 0.00 0.00 57.70 56.06 1j3x n MET 13 Cb 0.40 -0.47 -0.08 0.00 -0.71 0.00 0.00 33.22 32.36 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 -1.67 -7.22 0.17 7.83 2.88 -1.26 -2.78 113.62 111.56 1j3x n SER 14 Ca 0.00 1.25 0.10 0.00 -1.33 0.00 0.00 58.87 58.89 1j3x n SER 14 Cb 0.03 -4.44 0.62 0.00 -0.75 0.00 0.00 64.21 59.67 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 -1.28 0.06 0.05 -3.46 4.64 -1.93 -1.30 113.55 110.34 1j3x h SER 15 Ca -0.16 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1j3x h SER 15 Cb 1.25 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1j3x h SER 15 CO 0.06 0.04 -0.02 0.22 -0.87 0.00 0.00 176.83 176.27 1j3x h TYR 16 N 0.07 0.00 0.12 4.77 5.03 -1.94 -1.38 116.97 123.64 1j3x h TYR 16 Ca 0.08 0.00 -0.28 0.00 2.58 0.00 0.00 58.73 61.11 1j3x h TYR 16 Cb 0.22 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.50 1j3x h TYR 16 CO -0.00 0.02 -1.32 0.00 -1.32 0.00 0.00 178.16 175.54 1j3x h ALA 17 N 1.98 0.16 0.00 1.82 0.00 -1.05 -3.25 119.26 118.92 1j3x h ALA 17 Ca -0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 54.91 53.85 1j3x h ALA 17 Cb 0.05 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1j3x h ALA 17 CO 0.00 1.04 -0.47 0.74 0.00 0.00 0.00 179.25 180.56 1j3x h PHE 18 N 0.07 0.00 -0.01 0.00 0.04 -1.39 -2.40 116.94 113.26 1j3x h PHE 18 Ca -0.16 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 1j3x h PHE 18 Cb 1.98 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.13 1j3x h PHE 18 CO 0.06 0.47 -0.00 0.35 -0.60 0.00 0.00 178.31 178.59 1j3x h PHE 19 N 0.00 0.02 -0.03 -0.55 3.57 -1.35 -1.37 116.94 117.22 1j3x h PHE 19 Ca -0.00 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 1j3x h PHE 19 Cb 1.18 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1j3x h PHE 19 CO 0.00 0.46 -0.63 0.28 -2.23 0.00 0.00 178.31 176.19 1j3x h VAL 20 N -0.43 1.42 0.00 1.41 2.07 -1.63 0.40 116.25 119.49 1j3x h VAL 20 Ca 0.00 -2.09 -0.11 0.00 0.82 0.00 0.00 66.70 65.32 1j3x h VAL 20 Cb 0.46 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1j3x h VAL 20 CO 0.00 0.61 -0.53 -0.61 0.02 0.00 0.00 177.57 177.06 1j3x h GLN 21 N 0.08 0.00 0.00 1.57 -0.00 -1.42 -2.00 115.11 113.34 1j3x h GLN 21 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.38 1j3x h GLN 21 Cb 1.12 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.56 1j3x h GLN 21 CO 0.09 0.53 -2.11 2.41 0.00 0.00 0.00 178.83 179.75 1j3x n THR 22 N -3.79 1.13 0.12 2.39 -1.04 -0.52 -3.91 114.28 108.65 1j3x n THR 22 Ca -0.01 -0.76 -0.02 0.00 -2.04 0.00 0.00 64.05 61.22 1j3x n THR 22 Cb 0.56 -0.48 0.07 0.00 -1.82 0.00 0.00 70.33 68.66 1j3x n THR 22 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1j3x h SER 23 N 0.00 0.00 0.39 8.00 0.02 -0.20 -3.06 113.55 118.71 1j3x h SER 23 Ca -0.37 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.35 1j3x h SER 23 Cb 1.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.44 1j3x h SER 23 CO 0.03 0.70 -0.99 -0.09 -1.14 0.00 0.00 176.83 175.35 1j3x h ARG 24 N 0.00 0.38 0.00 3.45 1.12 -1.54 -2.90 114.38 114.89 1j3x h ARG 24 Ca -0.01 -0.44 -0.00 0.00 -1.11 0.00 0.00 59.98 58.43 1j3x h ARG 24 Cb 1.36 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 31.45 1j3x h ARG 24 CO 0.09 1.12 -0.00 0.93 -3.11 0.00 0.00 179.97 178.99 1j3x h GLU 25 N 0.20 -0.00 0.00 0.20 5.08 -1.67 -2.69 114.58 115.70 1j3x h GLU 25 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1j3x h GLU 25 Cb 1.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.88 1j3x h GLU 25 CO 0.17 0.28 -0.06 1.49 -1.00 0.00 0.00 179.01 179.89 1j3x h GLU 26 N -0.29 0.00 -0.14 2.33 4.81 -1.62 -2.73 114.58 116.93 1j3x h GLU 26 Ca -0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1j3x h GLU 26 Cb 0.29 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1j3x h GLU 26 CO 0.00 0.06 -0.09 1.25 -0.73 0.00 0.00 179.01 179.51 1j3x h HIS 27 N 0.00 0.36 0.00 0.92 2.76 -1.27 -3.00 115.15 114.93 1j3x h HIS 27 Ca -0.00 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.06 1j3x h HIS 27 Cb 0.20 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 1j3x h HIS 27 CO 0.00 0.66 -0.08 0.87 -1.30 0.00 0.00 177.93 178.07 1j3x h LYS 28 N -0.04 0.00 0.00 5.26 1.79 -1.28 -0.47 116.57 121.83 1j3x h LYS 28 Ca 0.03 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1j3x h LYS 28 Cb 0.57 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1j3x h LYS 28 CO 0.02 0.08 -0.02 0.87 -1.08 0.00 0.00 179.45 179.33 1j3x h LYS 29 N 0.00 0.00 0.00 3.15 1.57 -1.43 -2.86 116.57 117.01 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 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1j3x h LYS 29 CO 0.01 0.02 -0.20 0.36 -0.57 0.00 0.00 179.45 179.07 1j3x n LYS 30 N -4.02 0.79 -3.08 3.15 2.85 -0.69 -4.85 118.16 112.31 1j3x n LYS 30 Ca -0.03 -1.89 -0.17 0.00 -1.05 0.00 0.00 58.31 55.17 1j3x n LYS 30 Cb 0.11 -1.07 -0.01 0.00 -0.65 0.00 0.00 35.03 33.40 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 -0.82 -0.74 -0.03 5.58 8.25 -0.27 -4.95 115.22 122.24 1j3x n HIS 31 Ca 0.09 -3.31 -0.17 0.00 -0.26 0.00 0.00 57.72 54.07 1j3x n HIS 31 Cb 0.65 0.09 -0.07 0.00 1.12 0.00 0.00 29.99 31.78 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 3.33 0.72 -2.21 -0.41 0.13 -1.85 -3.29 132.00 128.42 1j3x h PRO 32 Ca 0.04 -0.56 -0.74 0.00 -0.87 0.00 0.00 66.00 63.87 1j3x h PRO 32 Cb 0.97 0.11 -0.23 0.00 0.13 0.00 0.00 31.00 31.98 1j3x h PRO 32 CO 0.42 1.17 1.20 -3.47 -0.23 0.00 0.00 178.00 177.09 1j3x n ASP 33 N -4.06 7.41 0.00 1.44 2.03 -1.26 -4.91 116.55 117.20 1j3x n ASP 33 Ca -0.07 -3.56 0.00 0.00 0.52 0.00 0.00 54.79 51.68 1j3x n ASP 33 Cb 0.67 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 1j3x n ASP 33 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1j3x n SER 34 N 0.26 0.00 -3.72 1.67 7.64 -1.24 -5.19 113.62 113.04 1j3x n SER 34 Ca 0.52 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.30 1j3x n SER 34 Cb 0.29 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.44 1j3x n SER 34 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1j3x s SER 35 N 1.61 -0.13 -0.47 6.43 0.15 -1.26 -5.11 113.70 114.91 1j3x s SER 35 Ca 0.00 -0.45 0.06 0.00 0.70 0.00 0.00 55.95 56.27 1j3x s SER 35 Cb 0.00 0.44 0.24 0.00 -1.71 0.00 0.00 66.02 65.00 1j3x s SER 35 CO 0.00 -0.84 0.82 0.55 1.20 0.00 0.00 173.24 174.97 1j3x n VAL 36 N -0.19 -0.13 -0.42 4.45 3.14 -1.26 -5.07 118.33 118.84 1j3x n VAL 36 Ca -0.15 -1.97 -0.29 0.00 -2.96 0.00 0.00 64.34 58.97 1j3x n VAL 36 Cb 0.63 0.85 0.26 0.00 -1.06 0.00 0.00 33.84 34.52 1j3x n VAL 36 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1j3x n ASN 37 N 1.61 -2.57 0.24 6.55 4.13 -1.26 -4.76 115.26 119.20 1j3x n ASN 37 Ca 0.11 -0.38 -0.10 0.00 1.68 0.00 0.00 54.58 55.90 1j3x n ASN 37 Cb 0.61 -1.14 -0.05 0.00 -1.54 0.00 0.00 39.78 37.67 1j3x n ASN 37 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 1j3x h PHE 38 N -2.93 -0.58 -0.37 3.10 0.04 -2.01 -2.67 116.94 111.51 1j3x h PHE 38 Ca -0.56 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.27 1j3x h PHE 38 Cb 1.32 0.19 -0.06 0.00 2.20 0.00 0.00 35.95 39.60 1j3x h PHE 38 CO -0.88 -0.36 -0.02 0.00 -0.60 0.00 0.00 178.31 176.44 1j3x h ALA 39 N -1.64 0.32 -0.21 2.45 0.00 -1.96 1.67 119.26 119.88 1j3x h ALA 39 Ca -0.06 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1j3x h ALA 39 Cb 0.48 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1j3x h ALA 39 CO 0.11 -0.41 0.34 0.93 0.00 0.00 0.00 179.25 180.21 1j3x h GLU 40 N 0.08 0.00 0.00 0.00 4.39 -1.92 -1.00 114.58 116.12 1j3x h GLU 40 Ca 0.18 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.70 1j3x h GLU 40 Cb 0.26 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1j3x h GLU 40 CO -0.32 0.00 -1.91 0.34 -1.16 0.00 0.00 179.01 175.96 1j3x n PHE 41 N -3.45 0.00 0.25 4.33 7.35 0.15 -4.17 117.46 121.93 1j3x n PHE 41 Ca 0.03 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.82 1j3x n PHE 41 Cb 0.46 -0.60 0.65 0.00 0.35 0.00 0.00 39.48 40.33 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 1.10 -2.13 4.64 0.36 -0.52 113.55 117.00 1j3x h SER 42 Ca -0.27 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.91 1j3x h SER 42 Cb 1.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.60 1j3x h SER 42 CO 0.01 0.14 -0.95 0.11 -0.87 0.00 0.00 176.83 175.28 1j3x h LYS 43 N 0.00 0.00 0.16 4.77 1.57 -1.54 -3.31 116.57 118.22 1j3x h LYS 43 Ca -0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1j3x h LYS 43 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.64 1j3x h LYS 43 CO 0.02 0.42 -1.51 -0.22 -0.57 0.00 0.00 179.45 177.59 1j3x h LYS 44 N 0.00 0.34 -0.23 3.15 3.11 -1.53 -3.33 116.57 118.08 1j3x h LYS 44 Ca -0.08 -0.58 0.03 0.00 -2.81 0.00 0.00 60.65 57.22 1j3x h LYS 44 Cb 1.48 0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 32.92 1j3x h LYS 44 CO 0.06 1.28 0.16 0.00 -2.81 0.00 0.00 179.45 178.13 1j3x h SER 46 N 0.17 0.45 0.37 0.00 4.64 -1.68 0.38 113.55 117.88 1j3x h SER 46 Ca 0.10 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 1j3x h SER 46 Cb 0.18 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1j3x h SER 46 CO -0.02 0.72 -0.29 -0.33 -0.87 0.00 0.00 176.83 176.04 1j3x h GLU 47 N 0.39 0.00 0.06 4.77 5.08 -1.33 -2.03 114.58 121.51 1j3x h GLU 47 Ca 0.05 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.05 1j3x h GLU 47 Cb 0.69 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1j3x h GLU 47 CO 0.05 0.29 -2.13 -2.13 -1.00 0.00 0.00 179.01 174.09 1j3x n ARG 48 N -4.02 0.68 0.25 2.33 0.63 -0.99 -3.62 116.66 111.93 1j3x n ARG 48 Ca -0.02 0.26 0.08 0.00 -0.92 0.00 0.00 57.85 57.25 1j3x n ARG 48 Cb 0.35 -1.63 0.62 0.00 0.45 0.00 0.00 32.46 32.26 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 -0.19 0.00 0.00 -0.14 2.91 -0.25 0.39 115.95 118.67 1j3x h TRP 49 Ca -0.50 0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.35 1j3x h TRP 49 Cb 1.86 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 30.49 1j3x h TRP 49 CO 0.05 0.03 -0.85 0.87 -1.03 0.00 0.00 178.44 177.51 1j3x h LYS 50 N 0.00 0.00 0.00 2.65 1.79 -1.54 -3.28 116.57 116.19 1j3x h LYS 50 Ca -0.00 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.31 1j3x h LYS 50 Cb 0.06 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 1j3x h LYS 50 CO 0.00 0.74 -1.01 1.79 -1.08 0.00 0.00 179.45 179.89 1j3x h THR 51 N 0.00 0.89 -4.08 -0.16 1.35 -1.35 -3.46 112.91 106.09 1j3x h THR 51 Ca -0.03 -2.40 -0.55 0.00 -0.55 0.00 0.00 66.41 62.88 1j3x h THR 51 Cb 1.61 2.36 0.17 0.00 -1.73 0.00 0.00 68.15 70.57 1j3x h THR 51 CO 0.10 0.51 0.39 0.23 -0.25 0.00 0.00 175.52 176.50 1j3x n MET 52 N -3.12 0.73 -2.25 4.72 2.81 0.03 -5.03 117.12 115.02 1j3x n MET 52 Ca -0.04 0.31 -0.10 0.00 -1.81 0.00 0.00 57.70 56.07 1j3x n MET 52 Cb 0.83 -2.45 0.01 0.00 -0.71 0.00 0.00 33.22 30.90 1j3x n MET 52 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j3x n SER 53 N -2.29 1.46 0.31 7.83 2.88 -1.26 -4.86 113.62 117.68 1j3x n SER 53 Ca 0.15 -1.71 0.20 0.00 -1.33 0.00 0.00 58.87 56.18 1j3x n SER 53 Cb 0.49 -0.05 0.99 0.00 -0.75 0.00 0.00 64.21 64.89 1j3x n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3x h ALA 54 N 0.63 1.05 0.00 -1.46 0.00 -1.96 0.21 119.26 117.72 1j3x h ALA 54 Ca -0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1j3x h ALA 54 Cb 0.50 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1j3x h ALA 54 CO 0.20 0.02 -0.51 0.87 0.00 0.00 0.00 179.25 179.82 1j3x h LYS 55 N 0.00 0.00 0.00 0.00 1.57 -2.01 -3.04 116.57 113.09 1j3x h LYS 55 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1j3x h LYS 55 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1j3x h LYS 55 CO 0.00 0.51 -1.86 0.39 -0.57 0.00 0.00 179.45 177.92 1j3x n GLU 56 N -3.64 1.10 -0.91 3.15 1.02 -0.73 -4.44 120.64 116.20 1j3x n GLU 56 Ca -0.01 -0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 56.93 1j3x n GLU 56 Cb 0.58 -1.37 0.18 0.00 -0.02 0.00 0.00 31.44 30.82 1j3x n GLU 56 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1j3x n LYS 57 N -2.30 2.49 -0.08 3.49 5.02 0.65 -4.18 118.16 123.24 1j3x n LYS 57 Ca -0.14 -2.40 -0.09 0.00 -2.02 0.00 0.00 58.31 53.66 1j3x n LYS 57 Cb 0.71 -1.97 -0.11 0.00 -0.02 0.00 0.00 35.03 33.64 1j3x n LYS 57 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1j3x n SER 58 N -0.48 1.67 0.15 4.39 3.41 -1.15 -4.14 113.62 117.46 1j3x n SER 58 Ca 0.41 -0.03 -0.01 0.00 -0.26 0.00 0.00 58.87 58.98 1j3x n SER 58 Cb 1.32 0.49 0.22 0.00 -0.26 0.00 0.00 64.21 65.98 1j3x n SER 58 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1j3x h LYS 59 N 0.00 0.02 0.01 4.33 3.64 -1.86 -3.04 116.57 119.67 1j3x h LYS 59 Ca -0.42 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 58.74 1j3x h LYS 59 Cb 1.85 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.66 1j3x h LYS 59 CO -0.01 0.56 -0.91 0.74 -2.27 0.00 0.00 179.45 177.56 1j3x h PHE 60 N 0.01 0.33 -0.03 1.91 0.04 -1.80 -3.17 116.94 114.23 1j3x h PHE 60 Ca -0.00 -0.19 -0.05 0.00 2.80 0.00 0.00 57.97 60.53 1j3x h PHE 60 Cb 0.97 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 1j3x h PHE 60 CO 0.00 1.02 -0.21 1.49 -0.60 0.00 0.00 178.31 180.01 1j3x h GLU 61 N 0.12 0.05 0.00 1.51 4.81 -1.69 -2.04 114.58 117.34 1j3x h GLU 61 Ca -0.05 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 1j3x h GLU 61 Cb 1.56 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.91 1j3x h GLU 61 CO 0.14 0.26 -0.52 0.22 -0.73 0.00 0.00 179.01 178.38 1j3x h ASP 62 N 0.05 0.00 0.73 1.04 3.58 -1.52 -2.57 116.42 117.73 1j3x h ASP 62 Ca 0.01 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.20 1j3x h ASP 62 Cb 0.40 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1j3x h ASP 62 CO 0.03 0.52 -1.22 0.24 -2.88 0.00 0.00 179.24 175.93 1j3x h MET 63 N 0.00 0.16 -0.31 0.28 2.86 -1.43 -3.25 114.93 113.24 1j3x h MET 63 Ca -0.01 -0.28 -0.17 0.00 -2.06 0.00 0.00 59.70 57.18 1j3x h MET 63 Cb 1.00 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 1j3x h MET 63 CO 0.07 1.10 -0.49 0.00 1.06 0.00 0.00 176.91 178.65 1j3x h ALA 64 N 0.73 0.53 0.00 6.32 0.00 -1.33 -2.96 119.26 122.56 1j3x h ALA 64 Ca -0.11 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1j3x h ALA 64 Cb 1.91 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1j3x h ALA 64 CO 0.17 0.68 -0.10 -0.22 0.00 0.00 0.00 179.25 179.78 1j3x h LYS 65 N 0.68 0.00 -0.28 0.00 1.63 -1.55 -0.77 116.57 116.28 1j3x h LYS 65 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1j3x h LYS 65 Cb 1.09 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.71 1j3x h LYS 65 CO 0.11 0.10 0.18 1.03 -3.45 0.00 0.00 179.45 177.43 1j3x h SER 66 N 0.00 0.31 0.22 4.20 0.87 -1.55 0.16 113.55 117.76 1j3x h SER 66 Ca -0.00 -0.01 -0.33 0.00 -1.23 0.00 0.00 61.79 60.22 1j3x h SER 66 Cb 0.23 -0.08 0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1j3x h SER 66 CO 0.01 0.23 -1.55 -0.78 -0.53 0.00 0.00 176.83 174.21 1j3x h ASP 67 N 0.37 0.72 0.16 6.23 1.82 -1.59 -3.04 116.42 121.09 1j3x h ASP 67 Ca 0.10 -0.93 -0.02 0.00 -0.39 0.00 0.00 57.03 55.79 1j3x h ASP 67 Cb -0.04 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 39.74 1j3x h ASP 67 CO -0.03 1.73 -0.11 0.50 -1.61 0.00 0.00 179.24 179.72 1j3x h LYS 68 N 0.08 0.00 0.02 0.28 3.64 -1.10 0.21 116.57 119.70 1j3x h LYS 68 Ca -0.29 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.85 1j3x h LYS 68 Cb 2.10 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.89 1j3x h LYS 68 CO 0.22 0.11 -1.18 0.00 -2.27 0.00 0.00 179.45 176.34 1j3x h ALA 69 N 1.89 0.40 0.00 5.00 0.00 -0.75 -3.31 119.26 122.50 1j3x h ALA 69 Ca -0.00 -1.02 -0.22 0.00 0.00 0.00 0.00 54.91 53.67 1j3x h ALA 69 Cb 0.22 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1j3x h ALA 69 CO 0.01 1.28 -1.24 -0.09 0.00 0.00 0.00 179.25 179.22 1j3x h ARG 70 N 0.01 0.00 0.00 0.00 2.43 -1.28 -3.31 114.38 112.23 1j3x h ARG 70 Ca -0.08 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1j3x h ARG 70 Cb 1.84 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.39 1j3x h ARG 70 CO 0.13 0.64 -0.17 -0.92 -1.51 0.00 0.00 179.97 178.14 1j3x h TYR 71 N 0.00 0.00 -0.06 2.20 3.20 -0.70 -2.39 116.97 119.22 1j3x h TYR 71 Ca -0.13 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.55 1j3x h TYR 71 Cb 1.77 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.04 1j3x h TYR 71 CO 0.00 0.17 -0.76 -0.44 -1.64 0.00 0.00 178.16 175.49 1j3x h ASP 72 N 0.00 0.44 -1.39 -2.11 3.32 -1.64 -3.24 116.42 111.80 1j3x h ASP 72 Ca -0.00 -0.30 -0.70 0.00 0.02 0.00 0.00 57.03 56.05 1j3x h ASP 72 Cb 0.34 -0.13 -0.30 0.00 0.22 0.00 0.00 39.33 39.46 1j3x h ASP 72 CO 0.02 1.05 0.71 0.54 -1.72 0.00 0.00 179.24 179.84 1j3x n ARG 73 N -3.81 2.84 0.00 3.56 1.74 -0.91 -4.43 116.66 115.65 1j3x n ARG 73 Ca -0.04 -3.53 0.00 0.00 -0.77 0.00 0.00 57.85 53.51 1j3x n ARG 73 Cb 0.73 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 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 -0.73 0.00 -1.46 5.56 2.13 -1.15 -4.79 120.64 120.20 1j3x n GLU 74 Ca 0.57 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 58.08 1j3x n GLU 74 Cb 0.52 -0.79 0.08 0.00 0.27 0.00 0.00 31.44 31.52 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 -2.29 2.83 -1.70 5.31 2.81 -1.26 -4.59 117.12 118.23 1j3x n MET 75 Ca 0.00 -3.47 -0.24 0.00 -1.81 0.00 0.00 57.70 52.18 1j3x n MET 75 Cb 0.36 -2.26 0.06 0.00 -0.71 0.00 0.00 33.22 30.67 1j3x n MET 75 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1j3x n LYS 76 N -0.90 3.17 0.00 0.03 5.02 -1.26 -5.15 118.16 119.07 1j3x n LYS 76 Ca 0.57 -3.85 0.10 0.00 -2.02 0.00 0.00 58.31 53.10 1j3x n LYS 76 Cb 0.82 -2.22 0.08 0.00 -0.02 0.00 0.00 35.03 33.70 1j3x n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97