#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 0.93 2.03 3.03 0.00 -1.26 -4.77 105.19 105.15 1j3x n GLY 2 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 0.00 1.61 3.00 -1.26 -5.06 118.16 116.45 1j3x n LYS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1j3x n LYS 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 -0.05 -1.47 1.07 3.14 0.00 -1.26 -5.05 105.19 101.58 1j3x n GLY 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j3x n GLY 4 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j3x n ASP 5 N 0.00 -1.86 0.00 1.61 8.00 -1.26 -4.97 116.55 118.07 1j3x n ASP 5 Ca 0.00 0.62 -0.18 0.00 0.71 0.00 0.00 54.79 55.94 1j3x n ASP 5 Cb 0.00 1.97 -0.10 0.00 -0.02 0.00 0.00 41.12 42.97 1j3x n ASP 5 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1j3x h PRO 6 N 0.00 0.55 0.00 -0.24 0.13 -1.96 -3.45 132.00 127.02 1j3x h PRO 6 Ca 0.00 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1j3x h PRO 6 Cb 0.00 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.27 1j3x h PRO 6 CO 0.00 1.16 0.00 0.09 -0.23 0.00 0.00 178.00 179.02 1j3x n ASN 7 N -4.11 0.00 -1.60 1.44 3.02 -1.26 -5.13 115.26 107.62 1j3x n ASN 7 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1j3x n ASN 7 Cb 0.71 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 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 -1.05 -4.51 -1.74 3.52 0.00 -1.26 -4.56 118.16 108.55 1j3x n LYS 8 Ca 0.00 3.39 -0.32 0.00 0.00 0.00 0.00 58.31 61.38 1j3x n LYS 8 Cb 0.00 -3.89 0.04 0.00 0.00 0.00 0.00 35.03 31.19 1j3x n LYS 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1j3x s PRO 9 N -4.06 2.92 -0.53 1.64 0.04 -1.26 -4.87 135.00 128.87 1j3x s PRO 9 Ca 0.00 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.25 1j3x s PRO 9 Cb 0.00 -1.98 0.43 0.00 0.04 0.00 0.00 34.50 32.99 1j3x s PRO 9 CO 0.00 -1.13 1.98 -2.13 0.04 0.00 0.00 177.00 175.76 1j3x n ARG 10 N -2.59 2.37 -2.35 4.56 0.00 -1.26 -4.80 116.66 112.59 1j3x n ARG 10 Ca 0.09 -2.77 -0.02 0.00 -0.00 0.00 0.00 57.85 55.14 1j3x n ARG 10 Cb 0.53 -2.09 0.01 0.00 0.00 0.00 0.00 32.46 30.91 1j3x n ARG 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j3x n GLY 11 N -0.66 0.50 7.00 5.14 0.00 -1.26 -4.86 105.19 111.04 1j3x n GLY 11 Ca 0.54 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.28 0.00 -3.88 1.61 5.02 -1.26 -4.75 118.16 113.61 1j3x n LYS 12 Ca -0.02 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.04 1j3x n LYS 12 Cb 0.52 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.35 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 0.00 0.75 0.66 1.97 -1.94 -1.26 -5.09 119.30 114.38 1j3x s MET 13 Ca 0.00 0.02 0.05 0.00 -1.71 0.00 0.00 55.69 54.05 1j3x s MET 13 Cb 0.00 -0.99 0.11 0.00 2.01 0.00 0.00 34.83 35.97 1j3x s MET 13 CO 0.00 -0.24 0.90 0.45 -0.01 0.00 0.00 175.02 176.12 1j3x s SER 14 N 1.66 4.69 0.35 3.03 0.15 -1.26 -4.53 113.70 117.79 1j3x s SER 14 Ca 0.01 -0.70 0.14 0.00 0.70 0.00 0.00 55.95 56.10 1j3x s SER 14 Cb -0.13 0.29 0.65 0.00 -1.71 0.00 0.00 66.02 65.12 1j3x s SER 14 CO -0.04 -1.64 1.76 0.77 1.20 0.00 0.00 173.24 175.28 1j3x h SER 15 N -0.18 0.00 0.68 5.45 4.64 -1.91 -2.81 113.55 119.42 1j3x h SER 15 Ca -0.31 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.89 1j3x h SER 15 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 1j3x h SER 15 CO 0.39 0.43 -0.54 0.22 -0.87 0.00 0.00 176.83 176.46 1j3x h TYR 16 N 0.00 0.00 0.00 4.77 3.20 -1.94 -2.51 116.97 120.49 1j3x h TYR 16 Ca -0.00 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.70 1j3x h TYR 16 Cb 0.83 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1j3x h TYR 16 CO 0.00 0.54 -0.80 0.00 -1.64 0.00 0.00 178.16 176.26 1j3x h ALA 17 N 1.46 0.67 0.00 1.82 0.00 -1.88 -3.19 119.26 118.14 1j3x h ALA 17 Ca -0.01 -0.73 -0.18 0.00 0.00 0.00 0.00 54.91 54.00 1j3x h ALA 17 Cb 1.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1j3x h ALA 17 CO 0.07 1.00 -0.83 0.74 0.00 0.00 0.00 179.25 180.23 1j3x h PHE 18 N 0.00 0.00 0.06 0.00 0.04 -1.40 -2.45 116.94 113.20 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 1.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.57 1j3x h PHE 18 CO 0.00 0.83 -0.03 0.35 -0.60 0.00 0.00 178.31 178.86 1j3x h PHE 19 N 0.00 -0.08 -0.11 -0.55 3.57 -1.44 0.13 116.94 118.46 1j3x h PHE 19 Ca -0.01 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.31 1j3x h PHE 19 Cb 1.60 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.37 1j3x h PHE 19 CO 0.00 0.14 -0.67 0.28 -2.23 0.00 0.00 178.31 175.82 1j3x h VAL 20 N -0.29 1.36 -0.25 1.41 2.07 -1.65 -1.73 116.25 117.16 1j3x h VAL 20 Ca -0.01 -2.02 -0.04 0.00 0.82 0.00 0.00 66.70 65.45 1j3x h VAL 20 Cb 0.25 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1j3x h VAL 20 CO 0.01 0.61 -0.01 -0.61 0.02 0.00 0.00 177.57 177.60 1j3x h GLN 21 N 0.33 0.45 0.00 1.57 -0.00 -1.36 -1.72 115.11 114.37 1j3x h GLN 21 Ca -0.02 -0.15 -0.10 0.00 -0.00 0.00 0.00 58.65 58.38 1j3x h GLN 21 Cb 1.24 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.67 1j3x h GLN 21 CO 0.12 0.63 -0.49 1.15 0.00 0.00 0.00 178.83 180.24 1j3x h THR 22 N 0.21 1.25 -0.13 2.39 2.02 -0.76 -2.71 112.91 115.18 1j3x h THR 22 Ca 0.07 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.52 1j3x h THR 22 Cb 0.44 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1j3x h THR 22 CO 0.02 0.48 0.00 -1.20 0.37 0.00 0.00 175.52 175.18 1j3x n SER 23 N -3.81 1.28 -0.07 4.18 7.64 -0.65 -4.03 113.62 118.16 1j3x n SER 23 Ca -0.01 -1.64 -0.22 0.00 1.01 0.00 0.00 58.87 58.01 1j3x n SER 23 Cb 0.53 -0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.53 1j3x n SER 23 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1j3x n ARG 24 N 0.07 0.64 -0.23 1.43 0.63 -0.66 -3.71 116.66 114.83 1j3x n ARG 24 Ca 0.16 0.39 -0.01 0.00 -0.92 0.00 0.00 57.85 57.47 1j3x n ARG 24 Cb 0.27 -1.68 0.21 0.00 0.45 0.00 0.00 32.46 31.71 1j3x n ARG 24 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1j3x h GLU 25 N -0.53 1.03 0.00 -0.14 5.08 -1.70 -0.91 114.58 117.41 1j3x h GLU 25 Ca -0.45 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 57.80 1j3x h GLU 25 Cb 1.66 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 1j3x h GLU 25 CO -0.12 0.72 -0.15 1.05 -1.00 0.00 0.00 179.01 179.50 1j3x h GLU 26 N 1.05 0.00 0.00 2.33 4.11 -1.74 -2.52 114.58 117.81 1j3x h GLU 26 Ca 0.28 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.62 1j3x h GLU 26 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1j3x h GLU 26 CO -0.05 0.15 -0.42 1.25 0.07 0.00 0.00 179.01 180.00 1j3x h HIS 27 N 0.00 0.00 -0.04 2.06 2.76 -1.24 -2.71 115.15 115.97 1j3x h HIS 27 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1j3x h HIS 27 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.46 1j3x h HIS 27 CO 0.00 0.42 0.00 1.63 -1.30 0.00 0.00 177.93 178.68 1j3x n LYS 28 N -3.71 1.17 -0.01 5.26 5.02 -0.95 -2.94 118.16 122.01 1j3x n LYS 28 Ca -0.01 -0.25 0.10 0.00 -2.02 0.00 0.00 58.31 56.14 1j3x n LYS 28 Cb 0.50 -1.29 -0.15 0.00 -0.02 0.00 0.00 35.03 34.07 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 -0.52 0.50 -0.67 1.97 5.02 -1.02 -4.52 118.16 118.92 1j3x n LYS 29 Ca 0.13 -0.14 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1j3x n LYS 29 Cb 0.12 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.02 0.30 -3.30 1.97 2.85 -1.22 -4.96 118.16 111.78 1j3x n LYS 30 Ca -0.02 -1.63 -0.20 0.00 -1.05 0.00 0.00 58.31 55.41 1j3x n LYS 30 Cb 0.49 -0.61 -0.08 0.00 -0.65 0.00 0.00 35.03 34.18 1j3x n LYS 30 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1j3x s HIS 31 N -0.66 0.15 0.22 5.58 3.76 -1.15 -4.97 115.29 118.22 1j3x s HIS 31 Ca 0.15 -1.45 0.11 0.00 -0.15 0.00 0.00 55.06 53.73 1j3x s HIS 31 Cb 0.16 -0.55 0.31 0.00 1.11 0.00 0.00 32.58 33.60 1j3x s HIS 31 CO -0.04 -0.94 1.57 -1.00 -0.85 0.00 0.00 174.74 173.48 1j3x h PRO 32 N 6.23 0.00 -1.74 8.40 0.13 -1.89 -3.32 132.00 139.81 1j3x h PRO 32 Ca 0.13 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.71 1j3x h PRO 32 Cb 1.00 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.71 1j3x h PRO 32 CO 0.24 0.64 -0.80 -0.40 -0.23 0.00 0.00 178.00 177.45 1j3x n ASP 33 N -3.67 3.92 -3.31 1.44 5.75 -1.26 -4.96 116.55 114.45 1j3x n ASP 33 Ca -0.01 -3.53 -0.10 0.00 -0.01 0.00 0.00 54.79 51.14 1j3x n ASP 33 Cb 0.65 -0.51 -0.06 0.00 -1.03 0.00 0.00 41.12 40.17 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1j3x s SER 34 N -3.38 0.46 0.77 -1.12 0.15 -1.25 -5.15 113.70 104.19 1j3x s SER 34 Ca 0.45 -0.66 -0.10 0.00 0.70 0.00 0.00 55.95 56.34 1j3x s SER 34 Cb 0.36 1.03 0.08 0.00 -1.71 0.00 0.00 66.02 65.79 1j3x s SER 34 CO -0.14 -0.33 1.12 -0.55 1.20 0.00 0.00 173.24 174.54 1j3x s SER 35 N 2.27 4.51 -0.24 5.45 0.15 -1.26 -4.95 113.70 119.63 1j3x s SER 35 Ca 0.11 0.56 -0.03 0.00 0.70 0.00 0.00 55.95 57.30 1j3x s SER 35 Cb -0.12 -1.07 0.12 0.00 -1.71 0.00 0.00 66.02 63.23 1j3x s SER 35 CO -0.24 -1.85 0.29 0.68 1.20 0.00 0.00 173.24 173.32 1j3x s VAL 36 N -3.45 -0.43 -0.70 4.45 -7.23 -1.26 -4.97 120.40 106.81 1j3x s VAL 36 Ca 0.62 -0.20 -0.05 0.00 -1.81 0.00 0.00 61.98 60.55 1j3x s VAL 36 Cb -0.10 -0.80 0.03 0.00 0.56 0.00 0.00 36.38 36.07 1j3x s VAL 36 CO 0.47 -0.25 2.78 -0.46 -0.31 0.00 0.00 175.10 177.34 1j3x n ASN 37 N 5.33 6.88 0.00 4.85 0.23 -1.26 -4.86 115.26 126.43 1j3x n ASN 37 Ca -0.04 -3.06 0.00 0.00 -0.53 0.00 0.00 54.58 50.95 1j3x n ASN 37 Cb 0.49 -1.31 0.00 0.00 -2.08 0.00 0.00 39.78 36.88 1j3x n ASN 37 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1j3x n PHE 38 N 1.45 0.00 -0.18 -2.53 3.72 -1.26 -4.11 117.46 114.55 1j3x n PHE 38 Ca 0.54 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.86 1j3x n PHE 38 Cb 0.50 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.10 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 0.00 0.89 0.00 4.37 0.00 -1.96 1.65 119.26 124.21 1j3x h ALA 39 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1j3x h ALA 39 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1j3x h ALA 39 CO 0.00 0.65 0.00 1.49 0.00 0.00 0.00 179.25 181.39 1j3x h GLU 40 N 0.91 0.00 0.00 0.00 4.81 -1.91 -2.62 114.58 115.77 1j3x h GLU 40 Ca 0.16 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1j3x h GLU 40 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1j3x h GLU 40 CO 0.03 0.00 -1.18 0.34 -0.73 0.00 0.00 179.01 177.47 1j3x n PHE 41 N -2.33 0.00 0.21 0.92 7.35 -0.84 -4.63 117.46 118.14 1j3x n PHE 41 Ca -0.00 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.87 1j3x n PHE 41 Cb 0.12 -0.12 0.84 0.00 0.35 0.00 0.00 39.48 40.67 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 -0.07 0.00 0.41 -2.13 4.64 0.24 0.17 113.55 116.81 1j3x h SER 42 Ca -0.08 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.16 1j3x h SER 42 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1j3x h SER 42 CO -0.03 0.00 -0.39 0.11 -0.87 0.00 0.00 176.83 175.64 1j3x h LYS 43 N 0.00 0.00 0.12 4.77 1.57 -1.63 -2.25 116.57 119.16 1j3x h LYS 43 Ca 0.09 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.52 1j3x h LYS 43 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1j3x h LYS 43 CO -0.00 0.39 -1.87 -0.22 -0.57 0.00 0.00 179.45 177.18 1j3x h LYS 44 N 0.00 0.26 0.00 3.15 3.11 -0.96 -3.34 116.57 118.78 1j3x h LYS 44 Ca -0.00 -0.44 -0.03 0.00 -2.81 0.00 0.00 60.65 57.36 1j3x h LYS 44 Cb 0.70 0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 32.09 1j3x h LYS 44 CO 0.05 1.14 -0.16 0.00 -2.81 0.00 0.00 179.45 177.66 1j3x h SER 46 N 0.00 0.51 -0.01 0.00 4.64 -1.53 0.44 113.55 117.60 1j3x h SER 46 Ca -0.00 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.08 1j3x h SER 46 Cb 0.30 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1j3x h SER 46 CO 0.02 0.74 -0.20 -0.33 -0.87 0.00 0.00 176.83 176.20 1j3x h GLU 47 N 0.45 0.36 0.13 4.77 4.39 -1.50 -1.30 114.58 121.89 1j3x h GLU 47 Ca 0.07 -0.11 -0.35 0.00 0.34 0.00 0.00 59.36 59.31 1j3x h GLU 47 Cb 0.65 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1j3x h GLU 47 CO 0.05 0.55 -1.86 -0.09 -1.16 0.00 0.00 179.01 176.49 1j3x h ARG 48 N 0.33 0.28 0.22 2.33 2.43 -1.39 -3.22 114.38 115.36 1j3x h ARG 48 Ca 0.06 -0.48 -0.01 0.00 -0.81 0.00 0.00 59.98 58.74 1j3x h ARG 48 Cb 0.54 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1j3x h ARG 48 CO 0.04 1.17 -0.11 2.35 -1.51 0.00 0.00 179.97 181.91 1j3x h TRP 49 N 0.08 -0.28 0.00 2.20 2.91 -0.07 0.83 115.95 121.62 1j3x h TRP 49 Ca -0.37 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 59.62 1j3x h TRP 49 Cb 2.05 0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 30.79 1j3x h TRP 49 CO 0.08 -0.10 -0.09 0.87 -1.03 0.00 0.00 178.44 178.17 1j3x h LYS 50 N -0.39 0.00 0.00 2.65 1.57 -1.42 -2.09 116.57 116.89 1j3x h LYS 50 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1j3x h LYS 50 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1j3x h LYS 50 CO 0.05 0.09 -1.09 0.25 -0.57 0.00 0.00 179.45 178.17 1j3x n THR 51 N -3.86 0.14 -0.68 -0.16 -2.24 -0.95 -4.96 114.28 101.56 1j3x n THR 51 Ca -0.02 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.21 1j3x n THR 51 Cb 0.18 0.28 0.17 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.93 -0.90 -2.54 -0.78 2.81 0.28 -5.01 117.12 109.06 1j3x n MET 52 Ca 0.02 -0.22 -0.24 0.00 -1.81 0.00 0.00 57.70 55.46 1j3x n MET 52 Cb 0.43 -2.08 0.10 0.00 -0.71 0.00 0.00 33.22 30.96 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 -2.29 4.47 0.40 7.83 0.01 -1.26 -4.89 113.70 117.96 1j3x s SER 53 Ca 0.62 -0.23 0.21 0.00 1.31 0.00 0.00 55.95 57.87 1j3x s SER 53 Cb -0.21 -0.24 0.71 0.00 0.21 0.00 0.00 66.02 66.49 1j3x s SER 53 CO 0.63 -1.77 1.74 0.00 0.41 0.00 0.00 173.24 174.25 1j3x h ALA 54 N -0.49 0.96 -0.09 1.44 0.00 -1.97 -0.63 119.26 118.48 1j3x h ALA 54 Ca -0.38 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.15 1j3x h ALA 54 Cb 1.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1j3x h ALA 54 CO 0.43 0.39 -0.37 0.87 0.00 0.00 0.00 179.25 180.57 1j3x h LYS 55 N 0.00 0.19 0.09 0.00 1.57 -2.00 -2.04 116.57 114.38 1j3x h LYS 55 Ca -0.00 -0.08 -0.37 0.00 -1.87 0.00 0.00 60.65 58.33 1j3x h LYS 55 Cb 0.89 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 1j3x h LYS 55 CO 0.04 0.54 -2.11 0.39 -0.57 0.00 0.00 179.45 177.75 1j3x n GLU 56 N -4.06 0.73 0.29 3.15 1.02 -1.13 -4.02 120.64 116.61 1j3x n GLU 56 Ca -0.01 0.23 0.17 0.00 -0.02 0.00 0.00 57.16 57.53 1j3x n GLU 56 Cb 0.44 -1.66 0.91 0.00 -0.02 0.00 0.00 31.44 31.10 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 -1.12 -2.04 116.57 118.53 1j3x h LYS 57 Ca -0.46 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.13 1j3x h LYS 57 Cb 2.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.29 1j3x h LYS 57 CO 0.04 0.05 -0.93 0.66 -0.57 0.00 0.00 179.45 178.70 1j3x h SER 58 N 0.00 0.08 0.12 0.86 4.64 -1.51 -2.76 113.55 114.99 1j3x h SER 58 Ca -0.00 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1j3x h SER 58 Cb 0.20 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1j3x h SER 58 CO 0.01 0.96 -0.12 0.50 -0.87 0.00 0.00 176.83 177.31 1j3x h LYS 59 N 0.02 0.00 0.00 4.77 3.64 -1.50 0.52 116.57 124.02 1j3x h LYS 59 Ca -0.03 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.10 1j3x h LYS 59 Cb 1.61 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.39 1j3x h LYS 59 CO 0.13 0.12 -1.60 0.74 -2.27 0.00 0.00 179.45 176.56 1j3x h PHE 60 N 0.00 0.00 0.00 1.91 0.04 -1.60 -3.31 116.94 113.97 1j3x h PHE 60 Ca -0.00 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 1j3x h PHE 60 Cb 0.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1j3x h PHE 60 CO 0.00 0.89 -0.81 0.93 -0.60 0.00 0.00 178.31 178.72 1j3x h GLU 61 N 0.00 0.00 0.00 1.51 5.08 -1.14 -2.83 114.58 117.20 1j3x h GLU 61 Ca -0.24 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.00 1j3x h GLU 61 Cb 1.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.13 1j3x h GLU 61 CO 0.07 0.81 -0.57 0.22 -1.00 0.00 0.00 179.01 178.54 1j3x h ASP 62 N 0.00 0.00 0.89 1.42 1.82 -1.04 -1.14 116.42 118.37 1j3x h ASP 62 Ca -0.01 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.41 1j3x h ASP 62 Cb 1.53 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.51 1j3x h ASP 62 CO 0.10 0.57 -1.16 0.24 -1.61 0.00 0.00 179.24 177.38 1j3x h MET 63 N 0.00 0.00 0.09 0.28 2.86 -1.64 -3.21 114.93 113.31 1j3x h MET 63 Ca -0.01 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.37 1j3x h MET 63 Cb 1.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 1j3x h MET 63 CO 0.07 0.84 -1.28 0.00 1.06 0.00 0.00 176.91 177.60 1j3x h ALA 64 N 1.03 0.24 -0.24 6.32 0.00 -1.42 -3.25 119.26 121.94 1j3x h ALA 64 Ca -0.08 -0.98 -0.08 0.00 0.00 0.00 0.00 54.91 53.77 1j3x h ALA 64 Cb 1.81 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1j3x h ALA 64 CO 0.11 1.11 -0.20 -0.22 0.00 0.00 0.00 179.25 180.06 1j3x h LYS 65 N 0.05 0.43 -0.02 0.00 1.63 -1.31 -1.01 116.57 116.33 1j3x h LYS 65 Ca -0.14 -0.14 -0.11 0.00 -0.85 0.00 0.00 60.65 59.41 1j3x h LYS 65 Cb 1.94 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 33.52 1j3x h LYS 65 CO 0.17 0.61 -0.48 1.03 -3.45 0.00 0.00 179.45 177.33 1j3x h SER 66 N 0.39 0.06 0.57 4.20 0.87 -1.62 -2.98 113.55 115.02 1j3x h SER 66 Ca 0.07 -0.03 -0.29 0.00 -1.23 0.00 0.00 61.79 60.31 1j3x h SER 66 Cb 0.57 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1j3x h SER 66 CO 0.04 0.53 -1.36 0.44 -0.53 0.00 0.00 176.83 175.95 1j3x h ASP 67 N 0.04 0.39 -0.98 6.23 5.19 -1.49 -3.05 116.42 122.75 1j3x h ASP 67 Ca -0.00 -0.47 0.01 0.00 -0.62 0.00 0.00 57.03 55.95 1j3x h ASP 67 Cb 0.87 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 40.20 1j3x h ASP 67 CO 0.07 1.38 0.65 0.50 -3.12 0.00 0.00 179.24 178.71 1j3x h LYS 68 N 0.07 1.28 -0.12 3.56 3.11 -1.11 -0.85 116.57 122.52 1j3x h LYS 68 Ca -0.18 -0.08 -0.10 0.00 -2.81 0.00 0.00 60.65 57.48 1j3x h LYS 68 Cb 1.99 -0.29 0.00 0.00 -1.00 0.00 0.00 32.23 32.93 1j3x h LYS 68 CO 0.18 0.85 -0.33 0.00 -2.81 0.00 0.00 179.45 177.34 1j3x h ALA 69 N 1.37 0.20 0.00 5.00 0.00 -1.62 -2.97 119.26 121.24 1j3x h ALA 69 Ca 0.36 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1j3x h ALA 69 Cb -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1j3x h ALA 69 CO -0.08 0.25 0.00 -2.13 0.00 0.00 0.00 179.25 177.29 1j3x n ARG 70 N -4.38 0.15 -0.73 0.00 0.63 -1.06 -2.10 116.66 109.17 1j3x n ARG 70 Ca -0.07 0.50 -0.05 0.00 -0.92 0.00 0.00 57.85 57.31 1j3x n ARG 70 Cb 0.50 -1.86 0.21 0.00 0.45 0.00 0.00 32.46 31.76 1j3x n ARG 70 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1j3x n TYR 71 N -2.16 1.77 0.05 -0.14 4.01 -0.35 -4.22 117.16 116.12 1j3x n TYR 71 Ca 0.01 -0.92 -0.05 0.00 -0.16 0.00 0.00 57.90 56.78 1j3x n TYR 71 Cb 0.14 -0.55 -0.09 0.00 -0.31 0.00 0.00 39.34 38.53 1j3x n TYR 71 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1j3x h ASP 72 N 1.87 0.00 -0.83 7.72 1.82 -1.55 -2.95 116.42 122.49 1j3x h ASP 72 Ca 0.20 0.00 -0.41 0.00 -0.39 0.00 0.00 57.03 56.42 1j3x h ASP 72 Cb 1.88 0.00 -0.25 0.00 0.68 0.00 0.00 39.33 41.65 1j3x h ASP 72 CO 0.54 0.86 0.46 0.54 -1.61 0.00 0.00 179.24 180.03 1j3x n ARG 73 N -3.21 2.32 0.00 0.28 1.74 -1.26 -3.92 116.66 112.60 1j3x n ARG 73 Ca -0.04 -3.06 0.00 0.00 -0.77 0.00 0.00 57.85 53.98 1j3x n ARG 73 Cb 0.92 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.04 0.00 0.03 5.56 2.13 -1.24 -4.69 120.64 121.40 1j3x n GLU 74 Ca 0.52 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 58.25 1j3x n GLU 74 Cb 1.51 -0.22 -0.13 0.00 0.27 0.00 0.00 31.44 32.87 1j3x n GLU 74 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 1j3x h MET 75 N 0.00 0.05 0.00 5.31 4.05 -1.74 -3.39 114.93 119.20 1j3x h MET 75 Ca 0.00 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.29 1j3x h MET 75 Cb 0.00 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1j3x h MET 75 CO 0.00 0.86 -0.58 0.87 0.23 0.00 0.00 176.91 178.29 1j3x h LYS 76 N 0.01 0.00 -0.03 0.39 1.57 -1.74 -3.51 116.57 113.26 1j3x h LYS 76 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1j3x h LYS 76 Cb 1.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.21 1j3x h LYS 76 CO 0.12 0.21 0.00 -1.71 -0.57 0.00 0.00 179.45 177.50