#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 1.34 3.11 -5.12 0.00 -1.26 -4.97 105.19 98.29 1j3x n GLY 2 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.40 0.70 0.69 1.61 2.47 -1.26 -4.91 119.74 118.65 1j3x s LYS 3 Ca 0.23 -0.13 -0.12 0.00 -1.56 0.00 0.00 55.97 54.39 1j3x s LYS 3 Cb 0.40 -0.02 0.01 0.00 -1.46 0.00 0.00 37.83 36.76 1j3x s LYS 3 CO -0.06 -1.15 1.07 0.20 0.16 0.00 0.00 175.35 175.57 1j3x s GLY 4 N 2.07 1.83 -0.06 5.54 0.00 -1.13 -4.98 107.32 110.58 1j3x s GLY 4 Ca 0.14 0.26 -0.16 0.00 0.00 0.00 0.00 44.72 44.96 1j3x s GLY 4 CO -0.13 0.59 0.63 -0.55 0.00 0.00 0.00 173.10 173.64 1j3x h ASP 5 N -0.48 -0.22 -0.09 1.64 5.19 -2.01 -3.37 116.42 117.08 1j3x h ASP 5 Ca -0.45 -0.22 -0.13 0.00 -0.62 0.00 0.00 57.03 55.61 1j3x h ASP 5 Cb 1.22 0.06 0.01 0.00 0.18 0.00 0.00 39.33 40.80 1j3x h ASP 5 CO 0.55 0.31 -0.47 1.55 -3.12 0.00 0.00 179.24 178.06 1j3x h PRO 6 N -0.98 0.47 0.00 3.56 0.13 -2.02 -3.47 132.00 129.69 1j3x h PRO 6 Ca -0.03 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1j3x h PRO 6 Cb 0.43 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1j3x h PRO 6 CO 0.04 1.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.93 1j3x n ASN 7 N -4.28 1.32 -3.16 1.44 3.02 -1.26 -5.10 115.26 107.24 1j3x n ASN 7 Ca -0.08 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.26 1j3x n ASN 7 Cb 0.58 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.71 1j3x n ASN 7 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1j3x n LYS 8 N 0.00 1.28 -1.46 3.52 5.02 -1.26 -2.84 118.16 122.42 1j3x n LYS 8 Ca 0.00 -3.59 -0.29 0.00 -2.02 0.00 0.00 58.31 52.40 1j3x n LYS 8 Cb 0.00 -1.72 0.18 0.00 -0.02 0.00 0.00 35.03 33.46 1j3x n LYS 8 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1j3x s PRO 9 N -2.39 0.38 -0.20 1.97 0.04 -1.26 -4.79 135.00 128.75 1j3x s PRO 9 Ca 0.40 0.09 0.14 0.00 0.04 0.00 0.00 61.00 61.67 1j3x s PRO 9 Cb 0.31 -1.77 0.33 0.00 0.04 0.00 0.00 34.50 33.41 1j3x s PRO 9 CO -0.09 -2.68 1.27 -2.13 0.04 0.00 0.00 177.00 173.42 1j3x n ARG 10 N -4.06 0.94 0.00 4.56 0.63 -1.26 -4.31 116.66 113.16 1j3x n ARG 10 Ca 0.10 -1.76 0.00 0.00 -0.92 0.00 0.00 57.85 55.27 1j3x n ARG 10 Cb 0.59 -0.05 0.00 0.00 0.45 0.00 0.00 32.46 33.45 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 -0.71 -0.94 1.09 5.14 0.00 -1.26 -4.95 105.19 103.56 1j3x n GLY 11 Ca -0.12 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.79 1.48 -3.64 1.61 5.02 -1.26 -4.77 118.16 115.79 1j3x n LYS 12 Ca 0.00 -1.12 -0.11 0.00 -2.02 0.00 0.00 58.31 55.06 1j3x n LYS 12 Cb 0.00 0.35 -0.11 0.00 -0.02 0.00 0.00 35.03 35.25 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 -2.54 0.23 0.86 1.97 1.75 -1.26 -4.98 119.30 115.32 1j3x s MET 13 Ca 0.01 0.85 -0.11 0.00 -1.25 0.00 0.00 55.69 55.20 1j3x s MET 13 Cb 0.00 0.08 0.19 0.00 2.84 0.00 0.00 34.83 37.94 1j3x s MET 13 CO 0.01 -0.29 1.17 0.45 -0.65 0.00 0.00 175.02 175.70 1j3x n SER 14 N 5.37 0.46 0.14 1.11 2.88 -1.26 -4.29 113.62 118.02 1j3x n SER 14 Ca -0.07 -1.65 -0.00 0.00 -1.33 0.00 0.00 58.87 55.82 1j3x n SER 14 Cb 0.50 -0.86 0.15 0.00 -0.75 0.00 0.00 64.21 63.25 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 -1.33 0.00 0.34 -3.46 4.64 -1.91 -3.06 113.55 108.78 1j3x h SER 15 Ca -0.38 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.88 1j3x h SER 15 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1j3x h SER 15 CO 0.30 0.61 -0.30 0.22 -0.87 0.00 0.00 176.83 176.80 1j3x h TYR 16 N 0.00 0.00 -0.12 4.77 5.03 -1.93 -1.81 116.97 122.91 1j3x h TYR 16 Ca -0.01 0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.15 1j3x h TYR 16 Cb 1.18 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.45 1j3x h TYR 16 CO 0.00 0.30 -0.60 0.00 -1.32 0.00 0.00 178.16 176.54 1j3x h ALA 17 N 1.70 0.76 0.00 1.82 0.00 -1.91 -3.03 119.26 118.61 1j3x h ALA 17 Ca -0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.19 1j3x h ALA 17 Cb 0.55 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1j3x h ALA 17 CO 0.04 0.71 -0.86 0.74 0.00 0.00 0.00 179.25 179.88 1j3x h PHE 18 N 0.29 0.00 0.20 0.00 0.04 -1.52 -2.70 116.94 113.25 1j3x h PHE 18 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1j3x h PHE 18 Cb 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1j3x h PHE 18 CO 0.03 0.86 -0.10 0.35 -0.60 0.00 0.00 178.31 178.86 1j3x h PHE 19 N 0.00 -0.25 0.00 -0.55 3.57 -1.26 0.78 116.94 119.23 1j3x h PHE 19 Ca -0.01 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1j3x h PHE 19 Cb 1.59 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 1j3x h PHE 19 CO 0.00 -0.02 -0.41 0.28 -2.23 0.00 0.00 178.31 175.93 1j3x h VAL 20 N -0.45 1.17 -0.18 1.41 2.07 -1.63 0.79 116.25 119.44 1j3x h VAL 20 Ca -0.03 -1.47 -0.20 0.00 0.82 0.00 0.00 66.70 65.82 1j3x h VAL 20 Cb 0.34 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1j3x h VAL 20 CO 0.05 0.40 -0.67 -0.61 0.02 0.00 0.00 177.57 176.76 1j3x h GLN 21 N 0.00 0.69 0.00 1.57 5.75 -1.26 -1.01 115.11 120.85 1j3x h GLN 21 Ca -0.00 -0.51 -0.22 0.00 -0.15 0.00 0.00 58.65 57.77 1j3x h GLN 21 Cb 0.79 0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.39 1j3x h GLN 21 CO 0.05 1.13 -1.16 1.15 -2.65 0.00 0.00 178.83 177.35 1j3x h THR 22 N 0.50 1.30 0.00 2.39 2.02 -0.68 -3.17 112.91 115.26 1j3x h THR 22 Ca -0.02 -2.99 -0.17 0.00 0.77 0.00 0.00 66.41 64.00 1j3x h THR 22 Cb 1.27 2.63 -0.02 0.00 -1.74 0.00 0.00 68.15 70.28 1j3x h THR 22 CO 0.13 0.74 -0.79 0.28 0.37 0.00 0.00 175.52 176.25 1j3x h SER 23 N 0.00 0.00 -0.04 4.18 0.02 -0.85 -3.17 113.55 113.70 1j3x h SER 23 Ca -0.09 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.63 1j3x h SER 23 Cb 1.78 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.33 1j3x h SER 23 CO 0.10 0.79 -0.82 -0.09 -1.14 0.00 0.00 176.83 175.67 1j3x h ARG 24 N 0.00 0.70 0.19 3.45 2.43 -1.26 -2.77 114.38 117.12 1j3x h ARG 24 Ca -0.01 -0.60 -0.01 0.00 -0.81 0.00 0.00 59.98 58.55 1j3x h ARG 24 Cb 1.52 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 1j3x h ARG 24 CO 0.10 1.21 -0.09 0.93 -1.51 0.00 0.00 179.97 180.62 1j3x h GLU 25 N 0.46 -0.24 0.00 0.20 5.08 -1.60 -0.19 114.58 118.29 1j3x h GLU 25 Ca -0.06 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1j3x h GLU 25 Cb 1.44 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 1j3x h GLU 25 CO 0.16 -0.09 -0.02 1.49 -1.00 0.00 0.00 179.01 179.55 1j3x h GLU 26 N -0.34 0.00 0.10 2.33 4.81 -1.62 -1.77 114.58 118.09 1j3x h GLU 26 Ca -0.03 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.94 1j3x h GLU 26 Cb 0.26 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.65 1j3x h GLU 26 CO 0.04 0.02 -1.17 1.25 -0.73 0.00 0.00 179.01 178.42 1j3x h HIS 27 N 0.00 0.57 0.00 0.92 2.76 -1.09 -3.36 115.15 114.94 1j3x h HIS 27 Ca -0.00 -0.38 -0.62 0.00 -2.20 0.00 0.00 60.37 57.17 1j3x h HIS 27 Cb 0.04 -0.04 0.01 0.00 1.55 0.00 0.00 27.41 28.97 1j3x h HIS 27 CO 0.00 1.27 3.27 1.63 -1.30 0.00 0.00 177.93 182.79 1j3x n LYS 28 N -3.62 2.93 0.00 5.26 4.76 -0.14 -3.33 118.16 124.02 1j3x n LYS 28 Ca -0.09 -2.12 0.00 0.00 -2.87 0.00 0.00 58.31 53.24 1j3x n LYS 28 Cb 0.97 -2.87 0.00 0.00 -1.84 0.00 0.00 35.03 31.29 1j3x n LYS 28 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1j3x n LYS 29 N 4.71 0.00 -0.72 1.97 4.81 -1.26 -4.94 118.16 122.73 1j3x n LYS 29 Ca 0.62 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 58.07 1j3x n LYS 29 Cb 0.27 0.00 0.26 0.00 0.02 0.00 0.00 35.03 35.58 1j3x n LYS 29 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1j3x n LYS 30 N -1.24 2.97 -3.18 1.64 2.85 -1.21 -4.73 118.16 115.25 1j3x n LYS 30 Ca 0.00 -3.01 -0.21 0.00 -1.05 0.00 0.00 58.31 54.04 1j3x n LYS 30 Cb 0.00 -1.97 -0.06 0.00 -0.65 0.00 0.00 35.03 32.35 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 -0.52 -1.52 -0.02 5.58 8.25 -1.24 -4.99 115.22 120.75 1j3x n HIS 31 Ca 0.31 -2.89 -0.13 0.00 -0.26 0.00 0.00 57.72 54.74 1j3x n HIS 31 Cb 1.10 0.45 -0.11 0.00 1.12 0.00 0.00 29.99 32.55 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 5.03 -0.02 -2.47 -0.41 0.13 -1.91 -3.32 132.00 129.04 1j3x h PRO 32 Ca 0.16 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.56 1j3x h PRO 32 Cb 0.95 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.92 1j3x h PRO 32 CO 0.32 0.62 1.91 -0.25 -0.23 0.00 0.00 178.00 180.37 1j3x n ASP 33 N -4.79 7.75 -3.64 1.44 9.92 -1.26 -4.85 116.55 121.11 1j3x n ASP 33 Ca -0.09 -3.27 -0.04 0.00 -0.53 0.00 0.00 54.79 50.86 1j3x n ASP 33 Cb 0.32 -1.30 -0.07 0.00 -0.64 0.00 0.00 41.12 39.43 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 0.01 -0.65 0.77 -2.24 0.15 -1.25 -5.17 113.70 105.31 1j3x s SER 34 Ca 0.52 1.05 -0.04 0.00 0.70 0.00 0.00 55.95 58.17 1j3x s SER 34 Cb 0.21 1.27 0.14 0.00 -1.71 0.00 0.00 66.02 65.93 1j3x s SER 34 CO -0.12 -0.17 1.07 -0.44 1.20 0.00 0.00 173.24 174.78 1j3x s SER 35 N 1.42 4.09 -0.42 5.45 0.01 -1.26 -4.96 113.70 118.03 1j3x s SER 35 Ca -0.09 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 56.98 1j3x s SER 35 Cb -0.04 -0.10 0.26 0.00 0.21 0.00 0.00 66.02 66.35 1j3x s SER 35 CO -0.16 -2.05 1.05 0.55 0.41 0.00 0.00 173.24 173.04 1j3x n VAL 36 N -3.04 0.00 -0.09 3.43 3.14 -1.26 -5.06 118.33 115.45 1j3x n VAL 36 Ca 0.15 -1.12 -0.10 0.00 -2.96 0.00 0.00 64.34 60.31 1j3x n VAL 36 Cb 0.60 1.31 0.09 0.00 -1.06 0.00 0.00 33.84 34.79 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 1.53 -2.65 -0.03 6.55 4.13 -1.26 -4.71 115.26 118.82 1j3x n ASN 37 Ca 0.05 -0.30 -0.16 0.00 1.68 0.00 0.00 54.58 55.86 1j3x n ASN 37 Cb 0.67 -0.32 -0.08 0.00 -1.54 0.00 0.00 39.78 38.51 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 -2.50 0.80 -0.20 3.10 0.04 -2.01 -2.91 116.94 113.24 1j3x h PHE 38 Ca -0.13 -0.34 -0.16 0.00 2.80 0.00 0.00 57.97 60.14 1j3x h PHE 38 Cb 0.42 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1j3x h PHE 38 CO 0.00 1.13 -0.50 0.00 -0.60 0.00 0.00 178.31 178.34 1j3x h ALA 39 N 0.51 0.34 0.00 2.45 0.00 -1.96 1.30 119.26 121.89 1j3x h ALA 39 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1j3x h ALA 39 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1j3x h ALA 39 CO 0.11 0.52 0.00 0.93 0.00 0.00 0.00 179.25 180.81 1j3x h GLU 40 N 0.41 0.00 0.00 0.00 4.39 -1.90 -2.59 114.58 114.88 1j3x h GLU 40 Ca -0.01 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1j3x h GLU 40 Cb 1.12 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 1j3x h GLU 40 CO 0.11 0.00 -1.55 0.34 -1.16 0.00 0.00 179.01 176.75 1j3x n PHE 41 N -2.56 0.00 0.28 4.33 7.35 -1.06 -4.45 117.46 121.35 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 0.10 -0.36 0.95 0.00 0.35 0.00 0.00 39.48 40.52 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 -0.17 0.00 0.89 -2.13 4.64 0.17 0.11 113.55 117.05 1j3x h SER 42 Ca -0.23 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.88 1j3x h SER 42 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 1j3x h SER 42 CO -0.09 0.00 -0.97 0.11 -0.87 0.00 0.00 176.83 175.01 1j3x h LYS 43 N 0.00 0.04 0.07 4.77 1.57 -1.64 -2.85 116.57 118.53 1j3x h LYS 43 Ca 0.04 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.55 1j3x h LYS 43 Cb 0.33 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1j3x h LYS 43 CO -0.00 0.97 -1.06 -0.22 -0.57 0.00 0.00 179.45 178.57 1j3x h LYS 44 N 0.02 0.15 0.00 3.15 3.11 -1.10 -3.30 116.57 118.60 1j3x h LYS 44 Ca -0.02 -0.26 -0.01 0.00 -2.81 0.00 0.00 60.65 57.55 1j3x h LYS 44 Cb 1.68 0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 33.01 1j3x h LYS 44 CO 0.13 1.12 -0.05 0.00 -2.81 0.00 0.00 179.45 177.84 1j3x h SER 46 N 0.00 0.29 -0.23 0.00 4.64 -1.61 0.21 113.55 116.84 1j3x h SER 46 Ca -0.00 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 1j3x h SER 46 Cb 0.11 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1j3x h SER 46 CO 0.01 0.64 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.22 1j3x h GLU 47 N 0.24 0.58 0.15 4.77 5.08 -1.35 -1.25 114.58 122.80 1j3x h GLU 47 Ca 0.03 -0.15 -0.36 0.00 -1.00 0.00 0.00 59.36 57.88 1j3x h GLU 47 Cb 0.77 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1j3x h GLU 47 CO 0.06 0.65 -1.87 -0.09 -1.00 0.00 0.00 179.01 176.76 1j3x h ARG 48 N 0.55 0.32 -0.08 2.33 2.43 -1.48 -3.25 114.38 115.21 1j3x h ARG 48 Ca 0.11 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1j3x h ARG 48 Cb 0.44 0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1j3x h ARG 48 CO 0.02 1.24 0.05 2.35 -1.51 0.00 0.00 179.97 182.12 1j3x h TRP 49 N 0.09 0.10 0.00 2.20 2.91 -0.54 0.84 115.95 121.54 1j3x h TRP 49 Ca -0.38 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.61 1j3x h TRP 49 Cb 2.06 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 30.68 1j3x h TRP 49 CO 0.09 0.09 -0.13 0.87 -1.03 0.00 0.00 178.44 178.32 1j3x h LYS 50 N 0.08 0.00 0.00 2.65 1.57 -1.40 -2.56 116.57 116.92 1j3x h LYS 50 Ca 0.03 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1j3x h LYS 50 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1j3x h LYS 50 CO -0.01 0.13 -1.47 0.25 -0.57 0.00 0.00 179.45 177.79 1j3x n THR 51 N -3.83 0.66 -1.73 -0.16 -2.24 -0.84 -4.93 114.28 101.22 1j3x n THR 51 Ca -0.02 -0.60 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 1j3x n THR 51 Cb 0.23 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.63 2.50 -2.26 -0.78 2.81 0.29 -4.96 117.12 112.08 1j3x n MET 52 Ca -0.06 0.89 -0.32 0.00 -1.81 0.00 0.00 57.70 56.39 1j3x n MET 52 Cb 0.67 -2.62 -0.02 0.00 -0.71 0.00 0.00 33.22 30.55 1j3x n MET 52 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1j3x s SER 53 N 0.31 6.31 0.56 7.83 0.01 -1.26 -4.77 113.70 122.70 1j3x s SER 53 Ca 0.63 1.65 0.32 0.00 1.31 0.00 0.00 55.95 59.86 1j3x s SER 53 Cb -0.54 -2.52 1.47 0.00 0.21 0.00 0.00 66.02 64.64 1j3x s SER 53 CO 0.52 -0.80 1.83 0.00 0.41 0.00 0.00 173.24 175.19 1j3x h ALA 54 N 0.71 2.74 0.00 1.44 0.00 -1.93 0.68 119.26 122.90 1j3x h ALA 54 Ca -0.47 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1j3x h ALA 54 Cb 1.20 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1j3x h ALA 54 CO 0.60 -1.14 -0.35 0.87 0.00 0.00 0.00 179.25 179.23 1j3x h LYS 55 N 0.00 0.00 0.04 0.00 1.57 -2.01 -2.67 116.57 113.50 1j3x h LYS 55 Ca 0.41 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.87 1j3x h LYS 55 Cb 1.80 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.07 1j3x h LYS 55 CO -0.00 0.35 -1.87 0.39 -0.57 0.00 0.00 179.45 177.74 1j3x n GLU 56 N -3.50 0.68 -0.90 3.15 1.02 0.23 -4.08 120.64 117.23 1j3x n GLU 56 Ca -0.00 0.26 -0.11 0.00 -0.02 0.00 0.00 57.16 57.28 1j3x n GLU 56 Cb 0.50 -1.74 0.20 0.00 -0.02 0.00 0.00 31.44 30.38 1j3x n GLU 56 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1j3x n LYS 57 N -3.16 2.66 0.05 3.49 2.85 -0.52 -4.29 118.16 119.23 1j3x n LYS 57 Ca -0.24 -2.43 -0.07 0.00 -1.05 0.00 0.00 58.31 54.52 1j3x n LYS 57 Cb 1.06 -1.99 -0.12 0.00 -0.65 0.00 0.00 35.03 33.33 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 1.54 0.00 0.57 -5.58 4.64 -1.62 -2.73 113.55 110.36 1j3x h SER 58 Ca 0.35 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.56 1j3x h SER 58 Cb 2.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.32 1j3x h SER 58 CO 0.73 0.96 -0.53 0.50 -0.87 0.00 0.00 176.83 177.63 1j3x h LYS 59 N 0.00 0.00 0.00 4.77 3.64 -1.87 -1.76 116.57 121.35 1j3x h LYS 59 Ca -0.08 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.06 1j3x h LYS 59 Cb 1.80 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.58 1j3x h LYS 59 CO 0.11 0.53 -1.41 0.74 -2.27 0.00 0.00 179.45 177.15 1j3x h PHE 60 N 0.00 0.00 0.00 1.91 0.04 -1.86 -3.22 116.94 113.81 1j3x h PHE 60 Ca -0.01 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.59 1j3x h PHE 60 Cb 0.95 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.08 1j3x h PHE 60 CO 0.00 0.92 -0.82 1.49 -0.60 0.00 0.00 178.31 179.30 1j3x h GLU 61 N 0.00 0.00 0.00 1.51 4.57 -1.39 -2.64 114.58 116.63 1j3x h GLU 61 Ca -0.18 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.85 1j3x h GLU 61 Cb 1.86 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.42 1j3x h GLU 61 CO 0.09 0.82 -0.73 0.22 -1.18 0.00 0.00 179.01 178.23 1j3x h ASP 62 N 0.00 0.00 1.02 1.04 3.58 -1.43 -2.41 116.42 118.22 1j3x h ASP 62 Ca -0.01 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.24 1j3x h ASP 62 Cb 1.49 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.51 1j3x h ASP 62 CO 0.11 0.73 -1.00 0.24 -2.88 0.00 0.00 179.24 176.43 1j3x h MET 63 N 0.00 0.00 0.00 0.28 2.86 -1.56 -3.18 114.93 113.33 1j3x h MET 63 Ca -0.01 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.42 1j3x h MET 63 Cb 1.36 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.99 1j3x h MET 63 CO 0.09 0.86 -0.99 0.00 1.06 0.00 0.00 176.91 177.94 1j3x h ALA 64 N 1.08 0.37 0.00 6.32 0.00 -1.46 -3.23 119.26 122.35 1j3x h ALA 64 Ca -0.04 -0.89 -0.12 0.00 0.00 0.00 0.00 54.91 53.86 1j3x h ALA 64 Cb 1.73 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1j3x h ALA 64 CO 0.11 1.22 -0.56 -0.22 0.00 0.00 0.00 179.25 179.81 1j3x h LYS 65 N 0.00 0.00 -0.02 0.00 3.11 -1.50 -0.93 116.57 117.23 1j3x h LYS 65 Ca -0.01 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.70 1j3x h LYS 65 Cb 1.74 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.96 1j3x h LYS 65 CO 0.13 0.56 -0.60 1.03 -2.81 0.00 0.00 179.45 177.76 1j3x h SER 66 N 0.00 0.10 0.66 4.20 0.87 -1.57 -2.71 113.55 115.09 1j3x h SER 66 Ca -0.01 -0.05 -0.26 0.00 -1.23 0.00 0.00 61.79 60.24 1j3x h SER 66 Cb 1.01 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.90 1j3x h SER 66 CO 0.07 0.67 -1.47 0.44 -0.53 0.00 0.00 176.83 176.01 1j3x h ASP 67 N 0.06 0.00 0.45 6.23 3.32 -1.54 -2.92 116.42 122.02 1j3x h ASP 67 Ca -0.01 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1j3x h ASP 67 Cb 1.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1j3x h ASP 67 CO 0.08 0.96 -0.48 0.50 -1.72 0.00 0.00 179.24 178.58 1j3x h LYS 68 N 0.00 0.04 0.00 3.56 3.11 -1.13 -3.06 116.57 119.09 1j3x h LYS 68 Ca -0.20 -0.02 -0.22 0.00 -2.81 0.00 0.00 60.65 57.40 1j3x h LYS 68 Cb 1.91 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 33.10 1j3x h LYS 68 CO 0.09 0.51 -1.44 0.00 -2.81 0.00 0.00 179.45 175.80 1j3x h ALA 69 N 1.48 0.68 0.00 5.00 0.00 -1.59 -3.33 119.26 121.50 1j3x h ALA 69 Ca -0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 54.91 53.79 1j3x h ALA 69 Cb 0.87 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1j3x h ALA 69 CO 0.06 1.24 -0.04 -0.09 0.00 0.00 0.00 179.25 180.42 1j3x h ARG 70 N 0.00 0.00 0.00 0.00 2.43 -1.41 -1.20 114.38 114.21 1j3x h ARG 70 Ca -0.19 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.93 1j3x h ARG 70 Cb 1.78 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.33 1j3x h ARG 70 CO 0.07 0.04 -0.25 -0.92 -1.51 0.00 0.00 179.97 177.40 1j3x h TYR 71 N 0.00 0.00 0.00 2.20 5.03 -1.66 -0.70 116.97 121.83 1j3x h TYR 71 Ca -0.00 0.00 -0.20 0.00 2.58 0.00 0.00 58.73 61.11 1j3x h TYR 71 Cb 0.07 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.32 1j3x h TYR 71 CO 0.00 0.25 -1.04 0.22 -1.32 0.00 0.00 178.16 176.27 1j3x h ASP 72 N 0.00 0.00 1.02 -2.11 1.82 -1.42 -2.96 116.42 112.77 1j3x h ASP 72 Ca -0.00 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.44 1j3x h ASP 72 Cb 0.46 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.44 1j3x h ASP 72 CO 0.03 0.86 -1.00 0.03 -1.61 0.00 0.00 179.24 177.56 1j3x h ARG 73 N 0.00 0.00 0.00 0.28 3.08 -1.19 -1.77 114.38 114.78 1j3x h ARG 73 Ca -0.06 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.79 1j3x h ARG 73 Cb 1.71 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.74 1j3x h ARG 73 CO 0.10 0.84 -0.93 1.49 -1.07 0.00 0.00 179.97 180.40 1j3x h GLU 74 N 0.00 0.00 0.06 0.04 4.57 -1.22 -3.35 114.58 114.68 1j3x h GLU 74 Ca -0.04 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.91 1j3x h GLU 74 Cb 1.72 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.30 1j3x h GLU 74 CO 0.11 0.93 -1.19 0.52 -1.18 0.00 0.00 179.01 178.21 1j3x h MET 75 N 0.00 0.13 -5.88 1.92 2.86 -1.59 -3.46 114.93 108.91 1j3x h MET 75 Ca -0.01 -0.22 -0.63 0.00 -2.06 0.00 0.00 59.70 56.79 1j3x h MET 75 Cb 1.68 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 33.38 1j3x h MET 75 CO 0.12 1.10 -0.50 0.15 1.06 0.00 0.00 176.91 178.85 1j3x s LYS 76 N -2.41 3.44 0.00 1.72 1.02 -0.67 -5.09 119.74 117.76 1j3x s LYS 76 Ca -0.23 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1j3x s LYS 76 Cb 0.04 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1j3x s LYS 76 CO 0.70 0.63 0.00 0.27 -0.92 0.00 0.00 175.35 176.02