#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 1.76 3.33 3.03 0.00 -1.26 -4.77 105.19 107.28 1j3x n GLY 2 Ca 0.00 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 2.73 -0.11 1.61 2.20 -1.26 -4.77 119.74 120.15 1j3x s LYS 3 Ca 0.00 -1.13 0.12 0.00 -0.36 0.00 0.00 55.97 54.60 1j3x s LYS 3 Cb 0.00 -3.63 -0.24 0.00 -1.51 0.00 0.00 37.83 32.45 1j3x s LYS 3 CO 0.00 -0.70 0.42 0.41 -0.36 0.00 0.00 175.35 175.12 1j3x n GLY 4 N 4.93 -0.94 3.92 5.54 0.00 -1.26 -4.94 105.19 112.44 1j3x n GLY 4 Ca -0.12 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 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 -6.00 5.63 0.05 1.61 1.01 -1.26 -5.00 116.67 112.71 1j3x s ASP 5 Ca -0.09 0.70 -0.17 0.00 0.71 0.00 0.00 52.55 53.70 1j3x s ASP 5 Cb 0.07 -1.72 -0.17 0.00 1.01 0.00 0.00 42.92 42.11 1j3x s ASP 5 CO 0.81 -1.03 1.25 1.55 0.21 0.00 0.00 175.17 177.97 1j3x h PRO 6 N -0.13 0.56 -2.87 8.23 0.13 -2.04 -3.40 132.00 132.47 1j3x h PRO 6 Ca -0.45 -0.44 -0.60 0.00 -0.87 0.00 0.00 66.00 63.63 1j3x h PRO 6 Cb 1.25 0.09 -0.40 0.00 0.13 0.00 0.00 31.00 32.07 1j3x h PRO 6 CO 0.60 1.07 -0.77 -0.80 -0.23 0.00 0.00 178.00 177.87 1j3x s ASN 7 N -6.70 3.41 -0.21 1.44 0.01 -1.26 -5.09 114.94 106.54 1j3x s ASN 7 Ca -0.12 -2.65 -0.27 0.00 -0.71 0.00 0.00 52.86 49.11 1j3x s ASN 7 Cb 0.06 -0.90 0.07 0.00 0.41 0.00 0.00 41.25 40.89 1j3x s ASN 7 CO 0.83 -0.26 0.73 -0.75 -1.51 0.00 0.00 177.10 176.15 1j3x s LYS 8 N 0.36 0.88 0.67 -0.60 2.20 -1.26 -5.16 119.74 116.83 1j3x s LYS 8 Ca 0.19 0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 56.43 1j3x s LYS 8 Cb -0.21 0.42 -0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1j3x s LYS 8 CO -0.02 -0.16 1.06 -1.25 -0.36 0.00 0.00 175.35 174.62 1j3x s PRO 9 N -0.10 2.97 1.15 4.03 0.04 -1.26 -4.93 135.00 136.90 1j3x s PRO 9 Ca -0.03 1.08 -0.19 0.00 0.04 0.00 0.00 61.00 61.90 1j3x s PRO 9 Cb -0.04 -1.99 0.29 0.00 0.04 0.00 0.00 34.50 32.81 1j3x s PRO 9 CO 0.03 -1.08 0.85 2.89 0.04 0.00 0.00 177.00 179.73 1j3x n ARG 10 N -2.79 -3.58 -2.11 4.56 1.85 -1.26 -5.03 116.66 108.30 1j3x n ARG 10 Ca 0.08 -1.38 -0.28 0.00 -1.00 0.00 0.00 57.85 55.27 1j3x n ARG 10 Cb 0.53 -1.50 0.16 0.00 -1.05 0.00 0.00 32.46 30.60 1j3x n ARG 10 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1j3x s GLY 11 N -3.63 1.77 0.00 2.89 0.00 -1.26 -5.10 107.32 101.99 1j3x s GLY 11 Ca 0.59 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1j3x s GLY 11 CO 0.47 -0.61 0.00 0.28 0.00 0.00 0.00 173.10 173.24 1j3x n LYS 12 N -3.48 1.21 -0.98 2.90 4.76 -1.26 -5.14 118.16 116.16 1j3x n LYS 12 Ca 0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1j3x n LYS 12 Cb 0.60 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.79 1j3x n LYS 12 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1j3x n MET 13 N -0.88 1.45 -3.83 1.97 2.81 -1.26 -5.12 117.12 112.25 1j3x n MET 13 Ca 0.00 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 1j3x n MET 13 Cb 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 32.53 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 -0.96 0.00 0.48 7.83 0.15 -1.26 -4.91 113.70 115.04 1j3x s SER 14 Ca 0.00 -0.98 0.17 0.00 0.70 0.00 0.00 55.95 55.84 1j3x s SER 14 Cb 0.00 0.73 1.15 0.00 -1.71 0.00 0.00 66.02 66.19 1j3x s SER 14 CO 0.00 -1.45 2.04 0.77 1.20 0.00 0.00 173.24 175.80 1j3x h SER 15 N 2.00 0.00 0.78 5.45 4.64 -1.93 -1.36 113.55 123.12 1j3x h SER 15 Ca -0.31 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.83 1j3x h SER 15 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 1j3x h SER 15 CO 0.39 0.14 -0.84 0.22 -0.87 0.00 0.00 176.83 175.86 1j3x h TYR 16 N 0.00 0.06 0.00 4.77 3.20 -1.95 -2.18 116.97 120.87 1j3x h TYR 16 Ca -0.00 -0.04 -0.20 0.00 3.14 0.00 0.00 58.73 61.64 1j3x h TYR 16 Cb 0.26 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1j3x h TYR 16 CO 0.00 0.86 -0.94 0.00 -1.64 0.00 0.00 178.16 176.45 1j3x h ALA 17 N 1.13 0.39 0.00 1.82 0.00 -1.76 -3.27 119.26 117.57 1j3x h ALA 17 Ca -0.02 -0.85 -0.20 0.00 0.00 0.00 0.00 54.91 53.84 1j3x h ALA 17 Cb 1.48 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1j3x h ALA 17 CO 0.11 1.17 -1.00 0.74 0.00 0.00 0.00 179.25 180.28 1j3x h PHE 18 N 0.00 0.00 -0.23 0.00 0.04 -1.28 -3.25 116.94 112.22 1j3x h PHE 18 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1j3x h PHE 18 Cb 1.72 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.86 1j3x h PHE 18 CO 0.00 0.93 0.12 0.35 -0.60 0.00 0.00 178.31 179.10 1j3x h PHE 19 N 0.00 0.33 -0.46 -0.55 3.04 -1.44 -1.53 116.94 116.33 1j3x h PHE 19 Ca -0.03 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 1j3x h PHE 19 Cb 1.73 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 40.12 1j3x h PHE 19 CO 0.00 0.32 0.22 0.28 -2.02 0.00 0.00 178.31 177.11 1j3x h VAL 20 N 0.25 1.16 0.61 1.41 2.07 -1.66 0.26 116.25 120.35 1j3x h VAL 20 Ca 0.08 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1j3x h VAL 20 Cb 0.11 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1j3x h VAL 20 CO -0.01 0.18 -0.29 -0.61 0.02 0.00 0.00 177.57 176.86 1j3x h GLN 21 N 0.64 -0.78 0.00 1.57 4.15 -1.48 0.17 115.11 119.38 1j3x h GLN 21 Ca 0.16 0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.60 1j3x h GLN 21 Cb 0.07 0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 1j3x h GLN 21 CO -0.02 -0.48 -0.15 1.15 -1.93 0.00 0.00 178.83 177.40 1j3x h THR 22 N -1.12 1.07 0.00 2.39 2.02 -1.18 -1.38 112.91 114.70 1j3x h THR 22 Ca -0.08 -0.52 -0.16 0.00 0.77 0.00 0.00 66.41 66.41 1j3x h THR 22 Cb 0.67 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1j3x h THR 22 CO 0.14 0.15 -0.78 0.28 0.37 0.00 0.00 175.52 175.67 1j3x h SER 23 N 0.00 0.00 0.49 4.18 0.02 -0.40 -3.08 113.55 114.77 1j3x h SER 23 Ca -0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 1j3x h SER 23 Cb 0.27 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.82 1j3x h SER 23 CO 0.02 0.78 -1.13 -0.09 -1.14 0.00 0.00 176.83 175.28 1j3x h ARG 24 N 0.00 0.34 0.02 3.45 2.43 0.16 -3.07 114.38 117.70 1j3x h ARG 24 Ca -0.01 -0.48 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1j3x h ARG 24 Cb 1.40 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.11 1j3x h ARG 24 CO 0.10 1.18 -0.01 0.93 -1.51 0.00 0.00 179.97 180.67 1j3x h GLU 25 N 0.14 -0.02 0.00 0.20 5.08 -1.30 -2.15 114.58 116.53 1j3x h GLU 25 Ca -0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1j3x h GLU 25 Cb 1.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.07 1j3x h GLU 25 CO 0.19 0.08 -0.05 1.49 -1.00 0.00 0.00 179.01 179.71 1j3x h GLU 26 N -0.12 0.00 0.00 2.33 4.81 -1.63 -1.29 114.58 118.68 1j3x h GLU 26 Ca -0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1j3x h GLU 26 Cb 0.11 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1j3x h GLU 26 CO 0.00 0.05 -0.38 1.25 -0.73 0.00 0.00 179.01 179.21 1j3x h HIS 27 N 0.00 0.00 -0.07 0.92 2.76 -1.29 -3.29 115.15 114.17 1j3x h HIS 27 Ca -0.00 0.00 -0.68 0.00 -2.20 0.00 0.00 60.37 57.49 1j3x h HIS 27 Cb 0.11 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.09 1j3x h HIS 27 CO 0.00 0.38 3.76 1.63 -1.30 0.00 0.00 177.93 182.40 1j3x n LYS 28 N -3.94 3.75 0.00 5.26 5.02 -0.49 -3.70 118.16 124.07 1j3x n LYS 28 Ca -0.02 -2.29 0.00 0.00 -2.02 0.00 0.00 58.31 53.98 1j3x n LYS 28 Cb 0.43 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 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 3.51 0.00 -0.84 1.97 5.02 -1.24 -4.93 118.16 121.66 1j3x n LYS 29 Ca 0.77 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 57.07 1j3x n LYS 29 Cb 0.23 -0.10 0.18 0.00 -0.02 0.00 0.00 35.03 35.33 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 -1.97 1.93 -3.05 1.97 2.85 -1.24 -4.77 118.16 113.88 1j3x n LYS 30 Ca 0.00 -3.45 -0.15 0.00 -1.05 0.00 0.00 58.31 53.66 1j3x n LYS 30 Cb 0.00 -1.73 0.01 0.00 -0.65 0.00 0.00 35.03 32.65 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 -0.76 -0.03 5.58 8.25 -1.24 -4.96 115.22 121.00 1j3x n HIS 31 Ca 0.23 -3.30 -0.14 0.00 -0.26 0.00 0.00 57.72 54.25 1j3x n HIS 31 Cb 0.74 0.21 -0.10 0.00 1.12 0.00 0.00 29.99 31.96 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 3.02 0.16 -2.44 -0.41 0.13 -1.88 -3.32 132.00 127.25 1j3x h PRO 32 Ca 0.04 -0.12 -0.77 0.00 -0.87 0.00 0.00 66.00 64.28 1j3x h PRO 32 Cb 1.01 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 31.97 1j3x h PRO 32 CO 0.39 0.76 1.77 -3.47 -0.23 0.00 0.00 178.00 177.21 1j3x n ASP 33 N -4.63 7.73 0.00 1.44 2.03 -1.26 -4.90 116.55 116.96 1j3x n ASP 33 Ca -0.08 -3.40 0.00 0.00 0.52 0.00 0.00 54.79 51.83 1j3x n ASP 33 Cb 0.39 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 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 0.88 0.00 -3.65 1.67 2.88 -1.25 -5.19 113.62 108.97 1j3x n SER 34 Ca 0.55 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.99 1j3x n SER 34 Cb 0.25 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.67 1j3x n SER 34 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1j3x s SER 35 N 1.61 -0.26 -0.48 -3.46 0.01 -1.26 -5.11 113.70 104.75 1j3x s SER 35 Ca 0.00 -0.34 0.06 0.00 1.31 0.00 0.00 55.95 56.98 1j3x s SER 35 Cb 0.00 0.51 0.25 0.00 0.21 0.00 0.00 66.02 66.99 1j3x s SER 35 CO 0.00 -0.91 0.89 0.55 0.41 0.00 0.00 173.24 174.18 1j3x n VAL 36 N -0.27 -0.05 -0.34 3.43 3.14 -1.26 -5.06 118.33 117.92 1j3x n VAL 36 Ca -0.14 -1.71 -0.30 0.00 -2.96 0.00 0.00 64.34 59.23 1j3x n VAL 36 Cb 0.64 1.24 0.29 0.00 -1.06 0.00 0.00 33.84 34.94 1j3x n VAL 36 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1j3x s ASN 37 N -1.61 -0.76 0.14 6.55 2.47 -1.26 -4.72 114.94 115.74 1j3x s ASN 37 Ca 0.31 1.06 -0.13 0.00 0.42 0.00 0.00 52.86 54.52 1j3x s ASN 37 Cb 0.24 -1.56 -0.01 0.00 -1.45 0.00 0.00 41.25 38.46 1j3x s ASN 37 CO -0.21 -5.20 1.57 -0.26 -3.72 0.00 0.00 177.10 169.27 1j3x h PHE 38 N -3.31 0.89 -0.23 0.43 0.04 -2.01 -2.49 116.94 110.26 1j3x h PHE 38 Ca -0.49 -0.17 -0.11 0.00 2.80 0.00 0.00 57.97 59.99 1j3x h PHE 38 Cb 1.34 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 39.27 1j3x h PHE 38 CO -2.37 0.89 -0.30 0.00 -0.60 0.00 0.00 178.31 175.93 1j3x h ALA 39 N 0.88 0.35 0.00 2.45 0.00 -1.96 1.50 119.26 122.48 1j3x h ALA 39 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1j3x h ALA 39 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1j3x h ALA 39 CO 0.03 0.37 0.00 0.93 0.00 0.00 0.00 179.25 180.58 1j3x h GLU 40 N 0.31 0.00 0.00 0.00 4.39 -1.89 -2.71 114.58 114.67 1j3x h GLU 40 Ca 0.03 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.56 1j3x h GLU 40 Cb 0.87 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.49 1j3x h GLU 40 CO 0.07 0.00 -1.60 0.34 -1.16 0.00 0.00 179.01 176.66 1j3x n PHE 41 N -2.50 0.00 0.25 4.33 7.35 -0.94 -4.27 117.46 121.67 1j3x n PHE 41 Ca -0.01 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.86 1j3x n PHE 41 Cb 0.11 -0.40 0.88 0.00 0.35 0.00 0.00 39.48 40.42 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 -0.15 0.00 0.89 -2.13 4.64 0.21 0.19 113.55 117.20 1j3x h SER 42 Ca -0.25 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.89 1j3x h SER 42 Cb 1.32 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 1j3x h SER 42 CO -0.09 0.00 -1.20 0.11 -0.87 0.00 0.00 176.83 174.79 1j3x h LYS 43 N 0.00 0.00 0.19 4.77 1.79 -1.67 -3.34 116.57 118.32 1j3x h LYS 43 Ca 0.06 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.20 1j3x h LYS 43 Cb 0.54 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1j3x h LYS 43 CO -0.00 0.45 -1.63 -0.22 -1.08 0.00 0.00 179.45 176.97 1j3x h LYS 44 N 0.00 0.40 -0.23 3.15 3.11 -0.90 -3.31 116.57 118.80 1j3x h LYS 44 Ca -0.13 -0.68 0.06 0.00 -2.81 0.00 0.00 60.65 57.09 1j3x h LYS 44 Cb 1.63 0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 33.10 1j3x h LYS 44 CO 0.07 1.33 0.16 0.00 -2.81 0.00 0.00 179.45 178.19 1j3x h SER 46 N 0.04 0.63 -0.04 0.00 4.64 -1.68 0.11 113.55 117.24 1j3x h SER 46 Ca 0.11 -0.33 0.01 0.00 -0.47 0.00 0.00 61.79 61.11 1j3x h SER 46 Cb 0.38 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1j3x h SER 46 CO -0.01 1.04 0.05 -0.33 -0.87 0.00 0.00 176.83 176.71 1j3x h GLU 47 N 0.44 0.00 0.00 4.77 5.08 -1.26 0.38 114.58 123.99 1j3x h GLU 47 Ca 0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.05 1j3x h GLU 47 Cb 1.07 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.26 1j3x h GLU 47 CO 0.10 0.00 -2.21 -2.13 -1.00 0.00 0.00 179.01 173.77 1j3x n ARG 48 N -3.79 1.06 0.15 2.33 0.63 -1.07 -4.24 116.66 111.72 1j3x n ARG 48 Ca -0.02 0.01 -0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1j3x n ARG 48 Cb 0.14 -1.45 0.20 0.00 0.45 0.00 0.00 32.46 31.81 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 0.00 0.00 0.00 -0.14 2.91 -0.36 0.31 115.95 118.67 1j3x h TRP 49 Ca -0.48 0.00 -0.10 0.00 1.13 0.00 0.00 58.89 59.44 1j3x h TRP 49 Cb 2.03 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.67 1j3x h TRP 49 CO 0.00 0.57 -0.48 0.87 -1.03 0.00 0.00 178.44 178.37 1j3x h LYS 50 N 0.00 0.00 -0.13 2.65 6.56 -1.14 -3.18 116.57 121.33 1j3x h LYS 50 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1j3x h LYS 50 Cb 1.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 1j3x h LYS 50 CO 0.07 0.48 0.00 -2.37 -2.06 0.00 0.00 179.45 175.58 1j3x n THR 51 N -3.60 0.41 -0.02 -0.16 5.66 -1.12 -5.03 114.28 110.43 1j3x n THR 51 Ca -0.00 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.29 1j3x n THR 51 Cb 0.57 0.91 0.00 0.00 -1.55 0.00 0.00 70.33 70.26 1j3x n THR 51 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 1j3x n MET 52 N 0.45 -1.57 -4.24 1.09 0.00 0.11 -5.05 117.12 107.92 1j3x n MET 52 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.57 1j3x n MET 52 Cb 0.30 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.40 1j3x n MET 52 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1j3x s SER 53 N -1.98 2.08 0.59 3.17 0.01 -1.26 -5.01 113.70 111.29 1j3x s SER 53 Ca 0.00 -0.72 0.29 0.00 1.31 0.00 0.00 55.95 56.83 1j3x s SER 53 Cb 0.00 -0.09 1.46 0.00 0.21 0.00 0.00 66.02 67.61 1j3x s SER 53 CO 0.00 -0.07 1.88 0.00 0.41 0.00 0.00 173.24 175.46 1j3x h ALA 54 N 3.88 2.24 0.00 1.44 0.00 -1.96 0.33 119.26 125.17 1j3x h ALA 54 Ca -0.42 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 1j3x h ALA 54 Cb 1.19 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1j3x h ALA 54 CO 0.45 -0.77 -0.81 0.87 0.00 0.00 0.00 179.25 178.99 1j3x h LYS 55 N 0.00 0.00 0.00 0.00 1.57 -2.00 -1.99 116.57 114.15 1j3x h LYS 55 Ca 0.23 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.82 1j3x h LYS 55 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 1j3x h LYS 55 CO -0.00 0.81 -0.95 0.93 -0.57 0.00 0.00 179.45 179.67 1j3x h GLU 56 N 0.00 0.00 -0.29 3.15 5.08 -0.78 -3.26 114.58 118.49 1j3x h GLU 56 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1j3x h GLU 56 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1j3x h GLU 56 CO 0.11 0.83 0.00 0.36 -1.00 0.00 0.00 179.01 179.30 1j3x n LYS 57 N -3.29 2.30 0.21 2.33 2.85 -0.78 -4.28 118.16 117.51 1j3x n LYS 57 Ca -0.01 -1.95 0.05 0.00 -1.05 0.00 0.00 58.31 55.35 1j3x n LYS 57 Cb 0.90 -1.48 0.46 0.00 -0.65 0.00 0.00 35.03 34.26 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 3.97 0.00 0.95 -5.58 4.64 -1.40 0.55 113.55 116.67 1j3x h SER 58 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1j3x h SER 58 Cb 0.87 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.93 1j3x h SER 58 CO 0.00 0.27 -0.88 0.50 -0.87 0.00 0.00 176.83 175.85 1j3x h LYS 59 N 0.00 0.00 0.01 4.77 3.64 -1.81 -3.04 116.57 120.14 1j3x h LYS 59 Ca -0.00 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 1j3x h LYS 59 Cb 0.50 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1j3x h LYS 59 CO 0.03 0.88 -1.38 0.74 -2.27 0.00 0.00 179.45 177.45 1j3x h PHE 60 N 0.00 0.04 0.00 1.91 0.04 -1.70 -3.03 116.94 114.19 1j3x h PHE 60 Ca -0.01 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.63 1j3x h PHE 60 Cb 1.59 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.72 1j3x h PHE 60 CO 0.00 1.03 -0.50 1.49 -0.60 0.00 0.00 178.31 179.73 1j3x h GLU 61 N 0.01 0.00 0.00 1.51 4.57 -0.96 -2.16 114.58 117.54 1j3x h GLU 61 Ca -0.16 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.81 1j3x h GLU 61 Cb 1.91 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.46 1j3x h GLU 61 CO 0.11 0.50 -1.18 0.22 -1.18 0.00 0.00 179.01 177.48 1j3x h ASP 62 N 0.00 0.00 0.99 1.04 1.82 -1.62 -3.11 116.42 115.54 1j3x h ASP 62 Ca -0.01 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.47 1j3x h ASP 62 Cb 0.93 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.91 1j3x h ASP 62 CO 0.07 0.86 -0.77 0.24 -1.61 0.00 0.00 179.24 178.02 1j3x h MET 63 N 0.00 0.00 0.00 0.28 2.86 -1.41 -2.59 114.93 114.07 1j3x h MET 63 Ca -0.11 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.34 1j3x h MET 63 Cb 1.75 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.38 1j3x h MET 63 CO 0.09 0.77 -0.89 0.00 1.06 0.00 0.00 176.91 177.94 1j3x h ALA 64 N 1.23 0.43 0.00 6.32 0.00 -1.48 -3.10 119.26 122.66 1j3x h ALA 64 Ca -0.01 -0.81 -0.19 0.00 0.00 0.00 0.00 54.91 53.90 1j3x h ALA 64 Cb 1.47 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1j3x h ALA 64 CO 0.10 1.11 -0.95 -0.22 0.00 0.00 0.00 179.25 179.30 1j3x h LYS 65 N 0.00 0.00 0.00 0.00 1.63 -1.55 -2.63 116.57 114.02 1j3x h LYS 65 Ca -0.01 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.64 1j3x h LYS 65 Cb 1.68 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.28 1j3x h LYS 65 CO 0.12 0.81 -0.72 1.03 -3.45 0.00 0.00 179.45 177.24 1j3x h SER 66 N 0.00 0.00 0.68 4.20 0.87 -1.51 -3.08 113.55 114.71 1j3x h SER 66 Ca -0.03 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.26 1j3x h SER 66 Cb 1.69 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.62 1j3x h SER 66 CO 0.11 0.72 -1.39 0.44 -0.53 0.00 0.00 176.83 176.17 1j3x h ASP 67 N 0.00 0.10 0.35 6.23 5.19 -1.59 -3.31 116.42 123.39 1j3x h ASP 67 Ca -0.01 -0.14 -0.06 0.00 -0.62 0.00 0.00 57.03 56.21 1j3x h ASP 67 Cb 1.28 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 1j3x h ASP 67 CO 0.09 1.12 -0.27 0.50 -3.12 0.00 0.00 179.24 177.57 1j3x h LYS 68 N 0.02 0.00 0.00 3.56 3.11 -1.47 -2.40 116.57 119.39 1j3x h LYS 68 Ca -0.17 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.58 1j3x h LYS 68 Cb 1.92 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.14 1j3x h LYS 68 CO 0.12 0.27 -0.44 0.00 -2.81 0.00 0.00 179.45 176.59 1j3x h ALA 69 N 1.73 1.21 -0.05 5.00 0.00 -1.62 -2.81 119.26 122.72 1j3x h ALA 69 Ca -0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1j3x h ALA 69 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1j3x h ALA 69 CO 0.03 0.55 -0.27 -0.09 0.00 0.00 0.00 179.25 179.47 1j3x h ARG 70 N 0.00 0.08 0.00 0.00 2.43 -1.56 -2.31 114.38 113.03 1j3x h ARG 70 Ca -0.00 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1j3x h ARG 70 Cb 0.81 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1j3x h ARG 70 CO 0.06 0.35 -0.18 -0.92 -1.51 0.00 0.00 179.97 177.77 1j3x h TYR 71 N 0.07 0.00 -0.73 2.20 3.20 -1.55 -2.66 116.97 117.50 1j3x h TYR 71 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1j3x h TYR 71 Cb 0.52 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 1j3x h TYR 71 CO 0.00 0.18 0.47 0.22 -1.64 0.00 0.00 178.16 177.39 1j3x h ASP 72 N 0.00 0.85 -1.71 -2.11 3.58 -1.51 -3.03 116.42 112.49 1j3x h ASP 72 Ca -0.00 -0.03 -0.61 0.00 0.42 0.00 0.00 57.03 56.81 1j3x h ASP 72 Cb 0.41 -0.21 -0.41 0.00 1.72 0.00 0.00 39.33 40.84 1j3x h ASP 72 CO 0.02 0.63 -0.55 0.54 -2.88 0.00 0.00 179.24 177.01 1j3x n ARG 73 N -4.41 3.38 -0.14 0.28 1.74 -1.01 -4.76 116.66 111.75 1j3x n ARG 73 Ca 0.08 -4.51 -0.28 0.00 -0.77 0.00 0.00 57.85 52.37 1j3x n ARG 73 Cb 0.05 -2.25 -0.10 0.00 -1.02 0.00 0.00 32.46 29.13 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 -0.43 0.58 -1.46 5.56 2.13 -1.15 -4.59 120.64 121.29 1j3x n GLU 74 Ca 0.39 0.25 -0.23 0.00 0.66 0.00 0.00 57.16 58.22 1j3x n GLU 74 Cb 0.57 -1.47 0.09 0.00 0.27 0.00 0.00 31.44 30.90 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 -4.14 2.80 -0.13 5.31 2.81 -1.26 -4.58 117.12 117.93 1j3x n MET 75 Ca -0.53 -3.58 -0.17 0.00 -1.81 0.00 0.00 57.70 51.61 1j3x n MET 75 Cb 0.89 -2.17 -0.12 0.00 -0.71 0.00 0.00 33.22 31.11 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 -0.91 0.65 0.00 0.03 4.76 -1.26 -5.19 118.16 116.25 1j3x n LYS 76 Ca 0.49 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 1j3x n LYS 76 Cb 0.92 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 1j3x n LYS 76 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32