#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7h s MET 2 N 0.00 0.88 0.35 0.03 -2.45 -1.26 -5.09 119.30 111.76 1j7h s MET 2 Ca 0.00 -1.36 0.00 0.00 -1.25 0.00 0.00 55.69 53.08 1j7h s MET 2 Cb 0.00 0.25 0.00 0.00 1.25 0.00 0.00 34.83 36.33 1j7h s MET 2 CO 0.00 -0.24 0.00 2.41 1.05 0.00 0.00 175.02 178.24 1j7h n THR 3 N -0.06 -4.99 -3.64 10.11 -1.04 -1.26 -5.08 114.28 108.31 1j7h n THR 3 Ca -0.08 2.22 -0.08 0.00 -2.04 0.00 0.00 64.05 64.08 1j7h n THR 3 Cb 0.63 -3.06 -0.07 0.00 -1.82 0.00 0.00 70.33 66.01 1j7h n THR 3 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1j7h s GLN 4 N -2.73 0.53 0.88 -2.82 -1.52 -1.03 -5.00 119.66 107.97 1j7h s GLN 4 Ca 0.00 0.71 -0.12 0.00 -1.95 0.00 0.00 55.36 54.00 1j7h s GLN 4 Cb 0.00 0.21 0.10 0.00 -0.22 0.00 0.00 33.01 33.11 1j7h s GLN 4 CO 0.00 -0.08 1.04 -0.89 -0.25 0.00 0.00 175.29 175.11 1j7h n ILE 5 N 2.79 0.79 -4.34 1.08 -0.00 -1.26 -1.37 119.36 117.04 1j7h n ILE 5 Ca -0.15 -0.12 -0.23 0.00 -0.00 0.00 0.00 62.75 62.25 1j7h n ILE 5 Cb 0.56 -1.01 -0.08 0.00 -0.00 0.00 0.00 39.64 39.12 1j7h n ILE 5 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1j7h s ILE 6 N -2.39 3.10 -0.29 1.39 1.01 0.31 -4.76 121.20 119.57 1j7h s ILE 6 Ca 0.68 -2.05 -0.13 0.00 0.00 0.00 0.00 60.65 59.15 1j7h s ILE 6 Cb -0.25 -2.70 0.11 0.00 0.01 0.00 0.00 42.46 39.63 1j7h s ILE 6 CO 0.57 -0.36 0.69 -2.28 0.00 0.00 0.00 174.94 173.56 1j7h s HIS 7 N -2.40 -1.18 0.27 3.97 2.46 -1.26 -3.63 115.29 113.53 1j7h s HIS 7 Ca 0.31 2.17 0.05 0.00 0.47 0.00 0.00 55.06 58.07 1j7h s HIS 7 Cb -0.05 0.71 -0.06 0.00 -0.13 0.00 0.00 32.58 33.05 1j7h s HIS 7 CO 0.19 -0.59 -0.03 -0.08 -2.47 0.00 0.00 174.74 171.76 1j7h s THR 8 N 2.31 1.41 -0.82 0.89 -1.32 -1.26 -4.96 115.64 111.89 1j7h s THR 8 Ca -0.08 -2.08 -0.01 0.00 -1.21 0.00 0.00 61.69 58.31 1j7h s THR 8 Cb -0.09 -2.45 0.36 0.00 -1.51 0.00 0.00 72.50 68.81 1j7h s THR 8 CO -0.19 -0.28 1.88 1.21 -2.21 0.00 0.00 174.62 175.02 1j7h n GLU 9 N -0.54 3.13 0.00 7.08 2.13 -1.26 -4.42 120.64 126.77 1j7h n GLU 9 Ca -0.05 -3.79 0.00 0.00 0.66 0.00 0.00 57.16 53.98 1j7h n GLU 9 Cb 0.64 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 30.06 1j7h n GLU 9 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1j7h n LYS 10 N -0.48 0.00 -0.88 5.31 4.81 -1.26 -5.12 118.16 120.54 1j7h n LYS 10 Ca 0.51 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.66 1j7h n LYS 10 Cb 0.29 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.56 1j7h n LYS 10 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j7h s ALA 11 N -2.00 0.22 -0.72 3.14 0.00 -1.26 -4.88 121.76 116.25 1j7h s ALA 11 Ca 0.00 -0.48 0.13 0.00 0.00 0.00 0.00 51.96 51.61 1j7h s ALA 11 Cb 0.00 -3.09 0.61 0.00 0.00 0.00 0.00 23.12 20.64 1j7h s ALA 11 CO 0.00 -3.51 1.40 -0.35 0.00 0.00 0.00 175.76 173.30 1j7h n PRO 12 N -4.69 0.07 -0.50 0.00 -0.04 -1.26 -4.98 135.00 123.60 1j7h n PRO 12 Ca 0.07 0.45 0.06 0.00 -0.04 0.00 0.00 63.50 64.04 1j7h n PRO 12 Cb 0.57 -1.67 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 1j7h n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j7h n ALA 13 N -1.61 -1.29 -3.52 0.55 0.00 -1.26 -5.03 120.51 108.34 1j7h n ALA 13 Ca 0.01 0.23 -0.00 0.00 0.00 0.00 0.00 53.44 53.67 1j7h n ALA 13 Cb 0.09 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 1j7h n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j7h s ALA 14 N -2.27 -2.42 0.00 0.00 0.00 -1.26 -4.77 121.76 111.03 1j7h s ALA 14 Ca 0.00 2.17 0.00 0.00 0.00 0.00 0.00 51.96 54.13 1j7h s ALA 14 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1j7h s ALA 14 CO 0.00 -0.78 0.84 -0.89 0.00 0.00 0.00 175.76 174.93 1j7h n ILE 15 N 4.77 0.00 0.00 0.00 2.08 -1.20 -4.22 119.36 120.79 1j7h n ILE 15 Ca -0.12 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.19 1j7h n ILE 15 Cb 0.53 0.58 0.00 0.00 -0.75 0.00 0.00 39.64 40.00 1j7h n ILE 15 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1j7h n GLY 16 N 0.00 0.92 0.24 7.39 0.00 -1.26 -4.91 105.19 107.57 1j7h n GLY 16 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1j7h n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j7h n PRO 17 N 0.00 1.32 -3.82 1.61 -0.04 -1.26 -4.91 135.00 127.90 1j7h n PRO 17 Ca 0.00 -0.48 -0.08 0.00 -0.04 0.00 0.00 63.50 62.90 1j7h n PRO 17 Cb 0.00 -1.31 0.02 0.00 -0.04 0.00 0.00 33.50 32.16 1j7h n PRO 17 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1j7h s TYR 18 N -1.90 0.06 0.23 0.54 1.13 -1.26 -5.19 117.35 110.96 1j7h s TYR 18 Ca 0.28 -0.68 0.03 0.00 -1.41 0.00 0.00 57.07 55.29 1j7h s TYR 18 Cb 0.14 0.81 -0.05 0.00 -1.10 0.00 0.00 41.96 41.75 1j7h s TYR 18 CO 0.22 -1.46 0.02 0.14 -2.51 0.00 0.00 175.55 171.96 1j7h s VAL 19 N -2.58 0.88 0.21 -3.49 -7.23 -1.26 -3.25 120.40 103.68 1j7h s VAL 19 Ca 0.15 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.21 1j7h s VAL 19 Cb -0.05 -2.38 0.15 0.00 0.56 0.00 0.00 36.38 34.66 1j7h s VAL 19 CO 0.10 -0.28 1.72 1.56 -0.31 0.00 0.00 175.10 177.89 1j7h h GLN 20 N 2.48 0.30 -1.93 4.82 1.08 -1.73 -3.44 115.11 116.69 1j7h h GLN 20 Ca -0.38 -0.02 0.34 0.00 -1.45 0.00 0.00 58.65 57.14 1j7h h GLN 20 Cb 1.22 -0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 28.50 1j7h h GLN 20 CO 0.64 0.20 0.88 0.00 -0.95 0.00 0.00 178.83 179.60 1j7h s ALA 21 N -6.10 -2.38 -0.01 3.87 0.00 -1.24 -3.41 121.76 112.48 1j7h s ALA 21 Ca -0.13 0.22 -0.00 0.00 0.00 0.00 0.00 51.96 52.05 1j7h s ALA 21 Cb 0.17 0.73 0.02 0.00 0.00 0.00 0.00 23.12 24.04 1j7h s ALA 21 CO 0.74 -1.12 0.02 0.14 0.00 0.00 0.00 175.76 175.54 1j7h s VAL 22 N -2.13 -0.04 -0.07 0.00 -7.23 -1.13 0.11 120.40 109.91 1j7h s VAL 22 Ca 0.25 0.13 -0.10 0.00 -1.81 0.00 0.00 61.98 60.45 1j7h s VAL 22 Cb 0.01 -0.06 -0.05 0.00 0.56 0.00 0.00 36.38 36.84 1j7h s VAL 22 CO -0.01 0.05 0.25 -0.62 -0.31 0.00 0.00 175.10 174.46 1j7h s ASP 23 N 0.66 6.56 -0.01 4.85 -1.08 -0.47 -2.92 116.67 124.26 1j7h s ASP 23 Ca -0.06 0.67 0.08 0.00 -0.52 0.00 0.00 52.55 52.72 1j7h s ASP 23 Cb -0.08 -2.14 -0.10 0.00 -1.46 0.00 0.00 42.92 39.13 1j7h s ASP 23 CO -0.02 0.37 0.23 0.18 0.52 0.00 0.00 175.17 176.45 1j7h n LEU 24 N 1.96 0.15 -0.19 -1.34 4.77 -1.19 -2.47 117.00 118.68 1j7h n LEU 24 Ca -0.17 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1j7h n LEU 24 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1j7h n LEU 24 CO 0.34 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1j7h n GLY 25 N 1.70 -0.03 3.19 -0.72 0.00 -1.26 -4.57 105.19 103.50 1j7h n GLY 25 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1j7h n GLY 25 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j7h n ASN 26 N 0.00 0.00 -3.86 1.61 3.02 -1.26 -4.85 115.26 109.92 1j7h n ASN 26 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 1j7h n ASN 26 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1j7h n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1j7h s LEU 27 N 0.00 3.11 0.53 3.41 1.43 -1.26 -0.19 118.68 125.71 1j7h s LEU 27 Ca 0.00 -1.74 0.03 0.00 -1.03 0.00 0.00 54.13 51.39 1j7h s LEU 27 Cb 0.00 -1.16 0.03 0.00 0.03 0.00 0.00 46.19 45.10 1j7h s LEU 27 CO 0.00 -0.38 0.73 0.68 0.23 0.00 0.00 176.35 177.62 1j7h s VAL 28 N 1.35 2.72 -0.04 -1.59 -7.23 0.24 -3.20 120.40 112.66 1j7h s VAL 28 Ca 0.08 -0.74 -0.19 0.00 -1.81 0.00 0.00 61.98 59.31 1j7h s VAL 28 Cb -0.18 -2.97 0.04 0.00 0.56 0.00 0.00 36.38 33.82 1j7h s VAL 28 CO -0.17 0.00 0.43 -0.76 -0.31 0.00 0.00 175.10 174.29 1j7h s LEU 29 N -4.68 0.37 0.09 1.32 1.02 -1.15 -1.17 118.68 114.48 1j7h s LEU 29 Ca 0.57 0.35 0.08 0.00 0.02 0.00 0.00 54.13 55.15 1j7h s LEU 29 Cb -0.10 1.65 -0.03 0.00 0.02 0.00 0.00 46.19 47.73 1j7h s LEU 29 CO 0.37 -0.46 -0.20 0.42 0.02 0.00 0.00 176.35 176.50 1j7h s THR 30 N -1.12 1.60 0.92 5.49 -4.23 -0.81 -2.84 115.64 114.64 1j7h s THR 30 Ca -0.11 -1.44 -0.13 0.00 -1.18 0.00 0.00 61.69 58.83 1j7h s THR 30 Cb -0.04 -1.46 0.14 0.00 1.34 0.00 0.00 72.50 72.49 1j7h s THR 30 CO 0.05 -0.04 1.15 -0.55 -0.54 0.00 0.00 174.62 174.69 1j7h s SER 31 N -1.75 3.44 -1.06 3.99 0.15 -1.22 -3.81 113.70 113.43 1j7h s SER 31 Ca 0.05 0.91 -0.23 0.00 0.70 0.00 0.00 55.95 57.38 1j7h s SER 31 Cb -0.10 -1.44 -0.11 0.00 -1.71 0.00 0.00 66.02 62.66 1j7h s SER 31 CO 0.03 -2.59 1.92 0.61 1.20 0.00 0.00 173.24 174.42 1j7h n GLY 32 N -2.29 1.44 3.40 9.45 0.00 -1.24 -4.19 105.19 111.75 1j7h n GLY 32 Ca 0.07 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 1j7h n GLY 32 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j7h n GLN 33 N 7.93 -0.75 -3.84 1.61 3.00 0.17 -4.40 117.38 121.10 1j7h n GLN 33 Ca 0.46 -0.18 -0.11 0.00 -0.01 0.00 0.00 57.00 57.16 1j7h n GLN 33 Cb 0.45 -1.86 -0.08 0.00 0.00 0.00 0.00 30.24 28.74 1j7h n GLN 33 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 1j7h s ILE 34 N -2.37 0.10 0.00 5.09 -4.36 -1.26 -1.61 121.20 116.79 1j7h s ILE 34 Ca 0.58 -0.84 -0.05 0.00 -0.26 0.00 0.00 60.65 60.08 1j7h s ILE 34 Cb -0.19 -0.86 -0.20 0.00 1.25 0.00 0.00 42.46 42.45 1j7h s ILE 34 CO 0.66 -0.47 3.00 -0.81 0.24 0.00 0.00 174.94 177.57 1j7h n PRO 35 N 0.76 1.61 -1.77 0.37 -0.04 -1.26 -4.59 135.00 130.08 1j7h n PRO 35 Ca -0.19 -0.75 -0.19 0.00 -0.04 0.00 0.00 63.50 62.33 1j7h n PRO 35 Cb 0.59 -1.82 -0.07 0.00 -0.04 0.00 0.00 33.50 32.15 1j7h n PRO 35 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1j7h s VAL 36 N 1.17 3.20 0.00 0.52 1.01 -1.09 -2.96 120.40 122.25 1j7h s VAL 36 Ca 0.50 -0.23 -0.36 0.00 0.00 0.00 0.00 61.98 61.89 1j7h s VAL 36 Cb 0.24 -3.70 -0.18 0.00 0.00 0.00 0.00 36.38 32.74 1j7h s VAL 36 CO 0.00 -0.40 0.97 -3.20 0.00 0.00 0.00 175.10 172.47 1j7h n ASN 37 N 17.15 -0.02 0.00 3.32 5.15 -1.25 -4.43 115.26 135.19 1j7h n ASN 37 Ca 0.44 1.06 0.10 0.00 -0.60 0.00 0.00 54.58 55.58 1j7h n ASN 37 Cb 0.45 -0.84 0.51 0.00 -0.53 0.00 0.00 39.78 39.38 1j7h n ASN 37 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1j7h n PRO 38 N 1.36 0.21 -0.08 1.20 -0.04 -1.26 0.19 135.00 136.59 1j7h n PRO 38 Ca 0.18 0.10 -0.06 0.00 -0.04 0.00 0.00 63.50 63.68 1j7h n PRO 38 Cb 0.07 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.89 1j7h n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j7h n ALA 39 N -1.35 1.75 0.00 0.55 0.00 -1.26 -4.76 120.51 115.44 1j7h n ALA 39 Ca 0.09 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1j7h n ALA 39 Cb 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.41 1j7h n ALA 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1j7h n THR 40 N -2.59 0.00 -1.11 0.00 5.66 -1.15 -5.09 114.28 110.00 1j7h n THR 40 Ca -0.25 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1j7h n THR 40 Cb 1.00 -0.59 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 1j7h n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j7h n GLY 41 N 2.54 0.71 0.00 1.09 0.00 0.51 -4.95 105.19 105.10 1j7h n GLY 41 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1j7h n GLY 41 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1j7h n GLU 42 N -1.03 0.00 -3.53 1.61 0.28 -1.25 -4.74 120.64 111.98 1j7h n GLU 42 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1j7h n GLU 42 Cb 0.37 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.18 1j7h n GLU 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1j7h s VAL 43 N 0.00 -0.20 0.38 3.84 0.11 -1.16 -2.67 120.40 120.71 1j7h s VAL 43 Ca 0.00 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.79 1j7h s VAL 43 Cb 0.00 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.74 1j7h s VAL 43 CO 0.00 0.00 1.17 -2.65 -3.33 0.00 0.00 175.10 170.29 1j7h n PRO 44 N 4.19 1.75 0.19 1.54 -0.02 -1.26 -4.87 135.00 136.52 1j7h n PRO 44 Ca -0.14 0.62 0.06 0.00 -2.02 0.00 0.00 63.50 62.02 1j7h n PRO 44 Cb 0.55 -2.20 0.56 0.00 -0.02 0.00 0.00 33.50 32.40 1j7h n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j7h h ALA 45 N 2.06 1.87 -1.08 3.55 0.00 -2.00 -3.38 119.26 120.27 1j7h h ALA 45 Ca -0.45 -0.04 -0.44 0.00 0.00 0.00 0.00 54.91 53.98 1j7h h ALA 45 Cb 1.31 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1j7h h ALA 45 CO 0.60 0.11 1.09 -0.51 0.00 0.00 0.00 179.25 180.54 1j7h s ASP 46 N -6.97 5.58 0.49 0.00 1.01 -1.26 -4.82 116.67 110.70 1j7h s ASP 46 Ca -0.06 -0.54 0.37 0.00 0.71 0.00 0.00 52.55 53.03 1j7h s ASP 46 Cb 0.17 -2.55 1.53 0.00 1.01 0.00 0.00 42.92 43.08 1j7h s ASP 46 CO 0.69 -2.28 1.63 -0.29 0.21 0.00 0.00 175.17 175.13 1j7h h ILE 47 N 6.91 0.12 0.06 0.77 6.09 -1.99 0.61 117.51 130.08 1j7h h ILE 47 Ca -0.02 -0.02 -0.11 0.00 -1.37 0.00 0.00 64.86 63.34 1j7h h ILE 47 Cb 1.05 0.06 0.01 0.00 0.47 0.00 0.00 36.82 38.42 1j7h h ILE 47 CO 1.27 0.01 -0.48 0.58 -3.07 0.00 0.00 178.15 176.45 1j7h h VAL 48 N 0.05 1.57 -0.28 2.19 2.07 -1.93 -2.50 116.25 117.43 1j7h h VAL 48 Ca 0.83 -2.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 1j7h h VAL 48 Cb 2.90 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 35.74 1j7h h VAL 48 CO -0.24 0.64 0.16 0.00 0.02 0.00 0.00 177.57 178.15 1j7h h ALA 49 N 0.13 0.36 0.00 1.67 0.00 -0.40 0.16 119.26 121.18 1j7h h ALA 49 Ca -0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1j7h h ALA 49 Cb 1.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1j7h h ALA 49 CO 0.09 -0.13 -0.22 -0.56 0.00 0.00 0.00 179.25 178.44 1j7h h GLN 50 N 0.35 0.00 -0.01 0.00 3.07 -0.44 -0.72 115.11 117.36 1j7h h GLN 50 Ca 0.10 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.60 1j7h h GLN 50 Cb 0.03 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.61 1j7h h GLN 50 CO -0.02 0.22 -0.95 0.00 0.09 0.00 0.00 178.83 178.17 1j7h h ALA 51 N 1.78 0.12 0.14 0.06 0.00 -0.89 -2.69 119.26 117.79 1j7h h ALA 51 Ca -0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1j7h h ALA 51 Cb 0.41 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1j7h h ALA 51 CO 0.03 0.62 -0.07 0.00 0.00 0.00 0.00 179.25 179.83 1j7h h ARG 52 N 0.30 -0.19 -0.19 0.00 3.08 -0.37 -2.94 114.38 114.08 1j7h h ARG 52 Ca -0.12 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.00 1j7h h ARG 52 Cb 1.61 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.69 1j7h h ARG 52 CO 0.19 0.18 0.16 0.37 -1.07 0.00 0.00 179.97 179.79 1j7h h GLN 53 N -0.58 0.00 -0.68 0.04 -0.00 -1.26 -0.92 115.11 111.71 1j7h h GLN 53 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.61 1j7h h GLN 53 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.90 1j7h h GLN 53 CO 0.03 0.00 0.36 0.77 0.00 0.00 0.00 178.83 179.99 1j7h h SER 54 N 0.00 0.86 0.75 -0.69 0.02 -1.29 -2.04 113.55 111.15 1j7h h SER 54 Ca 0.09 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 1j7h h SER 54 Cb 0.41 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1j7h h SER 54 CO -0.00 0.72 -0.75 -0.07 -1.14 0.00 0.00 176.83 175.59 1j7h h LEU 55 N 0.93 0.00 -0.96 5.07 3.38 -1.13 -3.14 115.31 119.45 1j7h h LEU 55 Ca 0.24 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1j7h h LEU 55 Cb 0.07 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1j7h h LEU 55 CO -0.04 0.75 -0.06 -0.33 0.09 0.00 0.00 178.44 178.85 1j7h h GLU 56 N 0.00 0.69 0.00 1.13 5.08 -0.95 -2.35 114.58 118.17 1j7h h GLU 56 Ca -0.01 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 1j7h h GLU 56 Cb 1.33 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1j7h h GLU 56 CO 0.10 0.74 -0.48 -2.95 -1.00 0.00 0.00 179.01 175.42 1j7h h ASN 57 N 0.64 0.00 -0.22 1.42 7.08 -1.37 -1.30 115.58 121.83 1j7h h ASN 57 Ca 0.12 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.29 1j7h h ASN 57 Cb 0.49 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.72 1j7h h ASN 57 CO 0.03 0.48 -0.06 0.58 -2.08 0.00 0.00 177.43 176.38 1j7h h VAL 58 N 0.00 1.29 0.00 6.14 2.07 -1.39 -2.88 116.25 121.48 1j7h h VAL 58 Ca -0.00 -1.07 -0.14 0.00 0.82 0.00 0.00 66.70 66.30 1j7h h VAL 58 Cb 0.99 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1j7h h VAL 58 CO 0.06 0.33 -0.66 0.07 0.02 0.00 0.00 177.57 177.39 1j7h h LYS 59 N 0.15 0.00 -0.85 1.57 2.10 -1.44 -2.99 116.57 115.11 1j7h h LYS 59 Ca 0.05 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1j7h h LYS 59 Cb 0.53 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.82 1j7h h LYS 59 CO 0.02 0.66 0.53 0.00 -2.00 0.00 0.00 179.45 178.66 1j7h h ALA 60 N 1.34 1.09 -0.18 0.07 0.00 -1.16 0.89 119.26 121.30 1j7h h ALA 60 Ca -0.01 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 1j7h h ALA 60 Cb 1.31 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1j7h h ALA 60 CO 0.09 0.53 -0.65 0.82 0.00 0.00 0.00 179.25 180.04 1j7h h ILE 61 N 1.17 1.29 -0.11 0.00 2.04 -1.52 -1.04 117.51 119.34 1j7h h ILE 61 Ca 0.31 -1.87 -0.12 0.00 1.00 0.00 0.00 64.86 64.18 1j7h h ILE 61 Cb -0.07 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1j7h h ILE 61 CO -0.06 0.59 -0.48 0.40 0.00 0.00 0.00 178.15 178.60 1j7h h ILE 62 N 0.48 1.33 -0.14 -0.67 2.04 -1.32 -2.68 117.51 116.55 1j7h h ILE 62 Ca -0.03 -1.69 -0.20 0.00 1.00 0.00 0.00 64.86 63.94 1j7h h ILE 62 Cb 1.28 1.77 0.01 0.00 -0.74 0.00 0.00 36.82 39.14 1j7h h ILE 62 CO 0.14 0.51 -0.71 -0.08 0.00 0.00 0.00 178.15 178.00 1j7h h GLU 63 N 0.23 0.72 0.00 2.37 4.22 0.16 0.20 114.58 122.48 1j7h h GLU 63 Ca 0.01 -0.60 -0.00 0.00 0.08 0.00 0.00 59.36 58.85 1j7h h GLU 63 Cb 0.93 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1j7h h GLU 63 CO 0.08 1.21 -0.02 -0.22 -2.18 0.00 0.00 179.01 177.87 1j7h h LYS 64 N 0.42 0.00 0.00 1.92 3.11 -1.09 -1.51 116.57 119.43 1j7h h LYS 64 Ca -0.05 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.54 1j7h h LYS 64 Cb 1.35 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.54 1j7h h LYS 64 CO 0.15 0.02 -1.68 0.00 -2.81 0.00 0.00 179.45 175.13 1j7h n ALA 65 N -2.16 1.66 0.00 5.00 0.00 -1.02 -4.99 120.51 119.00 1j7h n ALA 65 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1j7h n ALA 65 Cb 0.14 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1j7h n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j7h n GLY 66 N 1.51 0.58 3.63 0.00 0.00 -0.57 -5.10 105.19 105.24 1j7h n GLY 66 Ca -0.16 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.26 1j7h n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j7h s LEU 67 N 0.00 -0.26 0.36 0.99 1.43 -0.05 -4.97 118.68 116.18 1j7h s LEU 67 Ca 0.00 0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.58 1j7h s LEU 67 Cb 0.00 1.54 -0.00 0.00 0.03 0.00 0.00 46.19 47.76 1j7h s LEU 67 CO 0.00 -0.14 0.51 0.42 0.23 0.00 0.00 176.35 177.36 1j7h s THR 68 N -0.37 3.87 0.44 5.49 -4.23 -1.26 -1.85 115.64 117.73 1j7h s THR 68 Ca 0.04 -0.96 0.13 0.00 -1.18 0.00 0.00 61.69 59.72 1j7h s THR 68 Cb -0.03 -3.34 0.21 0.00 1.34 0.00 0.00 72.50 70.68 1j7h s THR 68 CO -0.07 -0.14 2.02 0.00 -0.54 0.00 0.00 174.62 175.89 1j7h h ALA 69 N 0.80 1.72 -0.51 3.99 0.00 -1.94 -1.84 119.26 121.49 1j7h h ALA 69 Ca -0.45 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 54.49 1j7h h ALA 69 Cb 1.26 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1j7h h ALA 69 CO 0.52 0.21 0.48 0.00 0.00 0.00 0.00 179.25 180.46 1j7h h ALA 70 N 1.81 2.28 0.00 0.00 0.00 -1.89 0.63 119.26 122.10 1j7h h ALA 70 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1j7h h ALA 70 Cb 0.21 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1j7h h ALA 70 CO 0.01 -0.74 -0.64 -0.44 0.00 0.00 0.00 179.25 177.44 1j7h h ASP 71 N 0.00 0.00 -1.24 0.00 3.32 -1.62 -3.46 116.42 113.43 1j7h h ASP 71 Ca 0.24 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.67 1j7h h ASP 71 Cb 1.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1j7h h ASP 71 CO -0.00 0.45 1.48 -0.38 -1.72 0.00 0.00 179.24 179.07 1j7h n ILE 72 N -3.13 0.17 -0.02 0.35 5.41 0.22 -3.16 119.36 119.20 1j7h n ILE 72 Ca 0.00 -0.34 -0.16 0.00 1.00 0.00 0.00 62.75 63.25 1j7h n ILE 72 Cb 0.73 -1.87 -0.10 0.00 -0.71 0.00 0.00 39.64 37.69 1j7h n ILE 72 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 1j7h h VAL 73 N 7.23 1.43 -2.60 1.39 -1.51 -1.35 -3.37 116.25 117.46 1j7h h VAL 73 Ca -0.28 -1.86 -0.50 0.00 -1.23 0.00 0.00 66.70 62.83 1j7h h VAL 73 Cb 1.30 2.43 -0.14 0.00 -2.13 0.00 0.00 31.29 32.75 1j7h h VAL 73 CO 1.05 0.54 -0.69 -0.54 -1.23 0.00 0.00 177.57 176.69 1j7h s LYS 74 N -3.47 1.54 -0.29 5.19 1.02 -1.20 -0.10 119.74 122.44 1j7h s LYS 74 Ca -0.14 -1.76 0.03 0.00 0.02 0.00 0.00 55.97 54.12 1j7h s LYS 74 Cb 0.04 -1.23 0.19 0.00 -0.52 0.00 0.00 37.83 36.30 1j7h s LYS 74 CO 0.79 0.09 0.54 0.95 -0.92 0.00 0.00 175.35 176.80 1j7h s THR 75 N -2.95 -0.90 -0.00 2.17 -4.23 -1.18 -1.60 115.64 106.95 1j7h s THR 75 Ca 0.29 -0.07 -0.30 0.00 -1.18 0.00 0.00 61.69 60.43 1j7h s THR 75 Cb 0.02 -0.99 -0.06 0.00 1.34 0.00 0.00 72.50 72.82 1j7h s THR 75 CO 0.12 -0.07 1.44 -0.89 -0.54 0.00 0.00 174.62 174.67 1j7h s THR 76 N 2.76 3.66 -0.28 3.99 2.01 0.33 -4.33 115.64 123.76 1j7h s THR 76 Ca 0.12 1.03 -0.00 0.00 0.31 0.00 0.00 61.69 63.14 1j7h s THR 76 Cb -0.12 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 68.78 1j7h s THR 76 CO -0.25 -0.01 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.94 1j7h s VAL 77 N 2.57 2.74 -0.24 3.82 1.01 -1.19 -2.79 120.40 126.32 1j7h s VAL 77 Ca 0.65 -1.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1j7h s VAL 77 Cb -0.32 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1j7h s VAL 77 CO 0.27 -0.06 0.04 -0.36 0.00 0.00 0.00 175.10 174.98 1j7h s PHE 78 N 1.21 3.05 0.14 5.22 0.08 -1.19 -1.17 117.98 125.33 1j7h s PHE 78 Ca -0.06 -0.58 0.08 0.00 0.12 0.00 0.00 56.93 56.49 1j7h s PHE 78 Cb -0.20 -2.20 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 1j7h s PHE 78 CO -0.02 -0.42 -0.11 0.14 -0.10 0.00 0.00 175.22 174.71 1j7h s VAL 79 N 1.57 3.19 -2.58 -0.44 -7.23 0.36 -1.80 120.40 113.48 1j7h s VAL 79 Ca 0.06 -1.51 0.26 0.00 -1.81 0.00 0.00 61.98 58.98 1j7h s VAL 79 Cb -0.15 -2.53 0.44 0.00 0.56 0.00 0.00 36.38 34.70 1j7h s VAL 79 CO 0.02 -0.00 1.57 1.17 -0.31 0.00 0.00 175.10 177.55 1j7h n LYS 80 N 0.38 1.89 -3.15 4.82 4.81 -1.19 -0.79 118.16 124.93 1j7h n LYS 80 Ca -0.12 -1.30 0.05 0.00 -0.87 0.00 0.00 58.31 56.06 1j7h n LYS 80 Cb 0.54 -1.46 -0.01 0.00 0.02 0.00 0.00 35.03 34.11 1j7h n LYS 80 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1j7h s ASP 81 N -1.90 -0.62 0.49 3.14 2.15 -1.26 -4.95 116.67 113.72 1j7h s ASP 81 Ca 0.35 0.34 0.29 0.00 0.43 0.00 0.00 52.55 53.96 1j7h s ASP 81 Cb 0.20 1.50 1.60 0.00 -0.30 0.00 0.00 42.92 45.92 1j7h s ASP 81 CO 0.31 -0.12 1.88 -0.07 -0.17 0.00 0.00 175.17 177.01 1j7h h LEU 82 N 7.92 0.00 -0.94 -1.34 3.38 -1.94 0.18 115.31 122.57 1j7h h LEU 82 Ca -0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1j7h h LEU 82 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1j7h h LEU 82 CO -0.04 0.00 -0.14 0.78 0.09 0.00 0.00 178.44 179.13 1j7h h ASN 83 N 0.00 0.00 1.00 -0.43 2.35 -2.00 -2.74 115.58 113.76 1j7h h ASN 83 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1j7h h ASN 83 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1j7h h ASN 83 CO 0.00 0.14 -0.55 0.44 -1.65 0.00 0.00 177.43 175.82 1j7h h ASP 84 N 0.00 0.00 -0.26 5.81 3.32 -1.05 -3.33 116.42 120.92 1j7h h ASP 84 Ca -0.00 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 56.96 1j7h h ASP 84 Cb 0.77 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1j7h h ASP 84 CO 0.02 0.08 0.19 0.15 -1.72 0.00 0.00 179.24 177.96 1j7h h PHE 85 N 0.00 0.00 -0.76 4.55 3.57 -1.49 -1.25 116.94 121.56 1j7h h PHE 85 Ca 0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1j7h h PHE 85 Cb 0.77 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 1j7h h PHE 85 CO 0.00 0.00 0.50 0.00 -2.23 0.00 0.00 178.31 176.58 1j7h h ALA 86 N 1.86 1.81 0.00 2.41 0.00 -1.74 0.75 119.26 124.35 1j7h h ALA 86 Ca 0.12 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 1j7h h ALA 86 Cb 0.50 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1j7h h ALA 86 CO -0.00 0.04 -1.39 0.00 0.00 0.00 0.00 179.25 177.90 1j7h h ALA 87 N 1.62 0.64 0.10 0.00 0.00 -1.51 -3.14 119.26 116.97 1j7h h ALA 87 Ca 0.35 -1.14 -0.25 0.00 0.00 0.00 0.00 54.91 53.87 1j7h h ALA 87 Cb 0.46 0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.52 1j7h h ALA 87 CO -0.13 1.31 -1.04 0.28 0.00 0.00 0.00 179.25 179.67 1j7h h VAL 88 N 0.00 1.35 -0.32 0.00 2.07 -0.93 -2.74 116.25 115.68 1j7h h VAL 88 Ca -0.17 -2.39 -0.12 0.00 0.82 0.00 0.00 66.70 64.84 1j7h h VAL 88 Cb 1.83 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 34.34 1j7h h VAL 88 CO 0.08 0.71 -0.28 0.78 0.02 0.00 0.00 177.57 178.89 1j7h h ASN 89 N 0.09 0.68 -0.04 0.57 -0.26 0.32 0.90 115.58 117.85 1j7h h ASN 89 Ca -0.16 -0.26 -0.13 0.00 -0.56 0.00 0.00 56.30 55.19 1j7h h ASN 89 Cb 1.75 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 38.81 1j7h h ASN 89 CO 0.20 0.93 -0.41 0.00 -1.06 0.00 0.00 177.43 177.08 1j7h h ALA 90 N 1.12 0.84 0.04 -0.83 0.00 -1.62 -2.62 119.26 116.18 1j7h h ALA 90 Ca 0.07 -0.44 -0.30 0.00 0.00 0.00 0.00 54.91 54.24 1j7h h ALA 90 Cb 0.77 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1j7h h ALA 90 CO 0.06 0.65 -1.68 1.49 0.00 0.00 0.00 179.25 179.77 1j7h h GLU 91 N 0.46 0.08 -0.01 0.00 4.57 -1.34 -3.12 114.58 115.22 1j7h h GLU 91 Ca 0.04 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1j7h h GLU 91 Cb 0.92 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.56 1j7h h GLU 91 CO 0.08 0.74 0.01 -0.92 -1.18 0.00 0.00 179.01 177.74 1j7h h TYR 92 N 0.02 0.01 0.00 0.92 5.03 0.83 -1.35 116.97 122.44 1j7h h TYR 92 Ca -0.28 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.00 1j7h h TYR 92 Cb 2.00 -0.00 -0.00 0.00 1.55 0.00 0.00 36.73 40.27 1j7h h TYR 92 CO 0.02 0.07 -0.12 1.49 -1.32 0.00 0.00 178.16 178.30 1j7h h GLU 93 N -0.05 0.00 0.00 1.82 4.22 -1.64 -2.85 114.58 116.08 1j7h h GLU 93 Ca 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.31 1j7h h GLU 93 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1j7h h GLU 93 CO -0.00 0.12 -0.64 0.00 -2.18 0.00 0.00 179.01 176.30 1j7h h ARG 94 N 0.00 0.00 0.17 1.92 3.08 -1.41 -3.14 114.38 115.00 1j7h h ARG 94 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.70 1j7h h ARG 94 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1j7h h ARG 94 CO 0.02 0.64 -1.74 0.27 -1.07 0.00 0.00 179.97 178.09 1j7h h PHE 95 N 0.00 0.65 0.11 3.04 -5.15 -1.20 -3.08 116.94 111.30 1j7h h PHE 95 Ca -0.01 -0.47 0.02 0.00 -0.20 0.00 0.00 57.97 57.31 1j7h h PHE 95 Cb 1.38 -0.03 -0.04 0.00 0.22 0.00 0.00 35.95 37.49 1j7h h PHE 95 CO 0.00 1.63 -0.26 0.74 -2.00 0.00 0.00 178.31 178.41 1j7h h PHE 96 N 0.10 -0.71 -0.18 6.09 -1.00 -1.59 0.49 116.94 120.14 1j7h h PHE 96 Ca -0.33 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.45 1j7h h PHE 96 Cb 2.08 0.30 -0.01 0.00 3.61 0.00 0.00 35.95 41.93 1j7h h PHE 96 CO 0.09 -0.37 0.05 1.57 -1.61 0.00 0.00 178.31 178.04 1j7h h LYS 97 N -0.47 0.25 -0.00 1.51 5.09 -1.70 0.91 116.57 122.16 1j7h h LYS 97 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.75 1j7h h LYS 97 Cb 0.50 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 32.78 1j7h h LYS 97 CO -0.16 0.23 -0.04 -1.91 -2.09 0.00 0.00 179.45 175.48 1j7h n GLU 98 N -4.44 0.65 0.00 0.07 2.13 -0.36 -2.99 120.64 115.70 1j7h n GLU 98 Ca -0.00 -0.10 0.04 0.00 0.66 0.00 0.00 57.16 57.76 1j7h n GLU 98 Cb 0.13 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.34 1j7h n GLU 98 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1j7h n ASN 99 N -1.09 0.99 -0.02 4.31 2.85 0.16 -4.98 115.26 117.48 1j7h n ASN 99 Ca 0.16 -0.99 0.00 0.00 -0.11 0.00 0.00 54.58 53.64 1j7h n ASN 99 Cb 0.23 0.55 0.00 0.00 1.24 0.00 0.00 39.78 41.80 1j7h n ASN 99 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1j7h n ASN 100 N -0.43 -0.73 -2.76 1.20 4.13 0.05 -4.86 115.26 111.86 1j7h n ASN 100 Ca 0.03 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.00 1j7h n ASN 100 Cb 0.17 -0.34 -0.01 0.00 -1.54 0.00 0.00 39.78 38.05 1j7h n ASN 100 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1j7h n HIS 101 N -2.96 3.61 0.60 3.10 8.25 0.29 -4.68 115.22 123.42 1j7h n HIS 101 Ca 0.00 -3.38 0.08 0.00 -0.26 0.00 0.00 57.72 54.17 1j7h n HIS 101 Cb 0.34 -0.39 0.38 0.00 1.12 0.00 0.00 29.99 31.44 1j7h n HIS 101 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1j7h n PRO 102 N -0.37 0.00 -0.34 -0.41 -0.04 -1.26 -3.41 135.00 129.17 1j7h n PRO 102 Ca 0.37 0.20 0.03 0.00 -0.04 0.00 0.00 63.50 64.06 1j7h n PRO 102 Cb 0.50 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.63 1j7h n PRO 102 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1j7h h ASN 103 N 0.00 0.93 -3.81 3.54 2.35 -1.88 -3.48 115.58 113.23 1j7h h ASN 103 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1j7h h ASN 103 Cb 0.30 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1j7h h ASN 103 CO 0.00 0.58 -0.39 0.49 -1.65 0.00 0.00 177.43 176.46 1j7h n PHE 104 N -4.57 -1.55 -0.83 1.19 3.72 -1.22 -4.99 117.46 109.21 1j7h n PHE 104 Ca 0.15 0.69 -0.34 0.00 -0.05 0.00 0.00 57.45 57.91 1j7h n PHE 104 Cb 0.21 -2.47 0.11 0.00 -0.94 0.00 0.00 39.48 36.39 1j7h n PHE 104 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1j7h n PRO 105 N 0.28 -0.43 -4.84 -1.08 -0.02 -1.26 -5.01 135.00 122.64 1j7h n PRO 105 Ca -0.01 -0.10 -0.27 0.00 -2.02 0.00 0.00 63.50 61.10 1j7h n PRO 105 Cb 0.01 -1.62 -0.17 0.00 -0.02 0.00 0.00 33.50 31.71 1j7h n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j7h s ALA 106 N -2.27 1.60 0.00 3.55 0.00 0.86 -4.80 121.76 120.69 1j7h s ALA 106 Ca 0.52 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1j7h s ALA 106 Cb -0.17 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1j7h s ALA 106 CO 0.70 0.21 0.00 0.54 0.00 0.00 0.00 175.76 177.21 1j7h n ARG 107 N 3.57 0.00 -3.85 0.00 5.12 -1.26 -3.12 116.66 117.12 1j7h n ARG 107 Ca -0.21 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.35 1j7h n ARG 107 Cb 0.52 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.69 1j7h n ARG 107 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1j7h s SER 108 N 0.06 4.75 -0.17 0.55 0.15 -1.26 -4.97 113.70 112.82 1j7h s SER 108 Ca 0.00 -0.79 -0.13 0.00 0.70 0.00 0.00 55.95 55.73 1j7h s SER 108 Cb 0.00 -1.78 -0.05 0.00 -1.71 0.00 0.00 66.02 62.48 1j7h s SER 108 CO 0.00 -0.16 0.26 0.00 1.20 0.00 0.00 173.24 174.54 1j7h s VAL 110 N 0.40 0.03 -0.73 0.00 -7.23 -0.32 -5.00 120.40 107.56 1j7h s VAL 110 Ca 0.15 -1.43 -0.12 0.00 -1.81 0.00 0.00 61.98 58.76 1j7h s VAL 110 Cb -0.13 -2.05 0.19 0.00 0.56 0.00 0.00 36.38 34.96 1j7h s VAL 110 CO 0.03 -0.13 0.65 -0.70 -0.31 0.00 0.00 175.10 174.64 1j7h s GLU 111 N -4.01 3.28 0.83 4.82 2.12 -1.26 -0.48 118.70 124.00 1j7h s GLU 111 Ca 0.21 -2.31 -0.12 0.00 0.36 0.00 0.00 54.97 53.12 1j7h s GLU 111 Cb 0.02 -4.27 0.09 0.00 0.26 0.00 0.00 34.13 30.23 1j7h s GLU 111 CO 0.05 -1.27 1.16 0.14 -0.54 0.00 0.00 175.26 174.79 1j7h s VAL 112 N 0.43 2.34 -0.03 3.70 -7.23 0.03 -4.91 120.40 114.73 1j7h s VAL 112 Ca 0.15 0.13 -0.25 0.00 -1.81 0.00 0.00 61.98 60.20 1j7h s VAL 112 Cb -0.16 -2.42 -0.19 0.00 0.56 0.00 0.00 36.38 34.18 1j7h s VAL 112 CO -0.06 -0.13 1.17 0.00 -0.31 0.00 0.00 175.10 175.78 1j7h h ALA 113 N -1.21 -0.10 -2.90 1.32 0.00 -1.96 -3.42 119.26 111.00 1j7h h ALA 113 Ca -0.45 -0.24 -0.38 0.00 0.00 0.00 0.00 54.91 53.84 1j7h h ALA 113 Cb 1.27 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 1j7h h ALA 113 CO 0.46 -0.30 -0.38 1.03 0.00 0.00 0.00 179.25 180.06 1j7h s ARG 114 N -4.08 1.79 0.03 0.00 1.81 -1.26 -5.02 118.95 112.22 1j7h s ARG 114 Ca -0.15 -1.90 -0.15 0.00 -1.72 0.00 0.00 55.73 51.81 1j7h s ARG 114 Cb 0.01 0.37 0.03 0.00 -0.45 0.00 0.00 34.95 34.91 1j7h s ARG 114 CO 0.62 -0.69 0.34 -0.51 -0.68 0.00 0.00 175.30 174.38 1j7h s LEU 115 N -3.31 0.73 0.29 2.53 1.43 -1.26 -5.06 118.68 114.03 1j7h s LEU 115 Ca 0.37 -0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 1j7h s LEU 115 Cb 0.02 1.46 -0.10 0.00 0.03 0.00 0.00 46.19 47.59 1j7h s LEU 115 CO 0.24 -0.60 1.39 -2.16 0.23 0.00 0.00 176.35 175.45 1j7h s PRO 116 N -2.32 4.28 -0.18 1.29 0.04 -1.26 -2.45 135.00 134.41 1j7h s PRO 116 Ca -0.06 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1j7h s PRO 116 Cb -0.02 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1j7h s PRO 116 CO -0.02 -0.34 0.00 1.17 0.04 0.00 0.00 177.00 177.85 1j7h n LYS 117 N 1.53 -0.29 -1.21 4.56 3.00 -1.26 -3.10 118.16 121.40 1j7h n LYS 117 Ca 0.03 0.34 -0.07 0.00 -0.00 0.00 0.00 58.31 58.62 1j7h n LYS 117 Cb 0.41 -3.79 -0.03 0.00 0.00 0.00 0.00 35.03 31.62 1j7h n LYS 117 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1j7h n ASP 118 N 0.61 -5.15 -4.61 3.14 -0.08 -1.02 -4.74 116.55 104.69 1j7h n ASP 118 Ca -0.02 0.18 -0.31 0.00 -1.51 0.00 0.00 54.79 53.13 1j7h n ASP 118 Cb 0.10 -3.29 0.17 0.00 2.34 0.00 0.00 41.12 40.44 1j7h n ASP 118 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1j7h n VAL 119 N -2.36 0.00 -1.08 5.18 0.24 -1.18 -4.93 118.33 114.19 1j7h n VAL 119 Ca -0.07 -0.07 0.06 0.00 -2.04 0.00 0.00 64.34 62.22 1j7h n VAL 119 Cb 0.45 -0.94 0.24 0.00 -1.47 0.00 0.00 33.84 32.13 1j7h n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j7h n GLY 120 N 0.53 4.22 3.64 7.63 0.00 -1.26 -4.43 105.19 115.52 1j7h n GLY 120 Ca 0.10 -1.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.02 1j7h n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j7h s LEU 121 N -2.91 -0.03 0.02 0.99 1.43 -1.26 -3.14 118.68 113.77 1j7h s LEU 121 Ca 0.43 0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1j7h s LEU 121 Cb 0.35 1.09 -0.02 0.00 0.03 0.00 0.00 46.19 47.64 1j7h s LEU 121 CO 0.07 -0.04 -0.01 -0.70 0.23 0.00 0.00 176.35 175.90 1j7h s GLU 122 N -1.54 0.35 -0.07 1.70 2.12 -0.74 -4.57 118.70 115.95 1j7h s GLU 122 Ca 0.10 -0.62 -0.02 0.00 0.36 0.00 0.00 54.97 54.79 1j7h s GLU 122 Cb -0.01 0.13 0.03 0.00 0.26 0.00 0.00 34.13 34.54 1j7h s GLU 122 CO -0.05 -0.06 0.02 0.42 -0.54 0.00 0.00 175.26 175.04 1j7h s ILE 123 N -1.60 0.24 -0.10 -3.70 -1.09 -0.63 -3.15 121.20 111.17 1j7h s ILE 123 Ca -0.15 0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.44 1j7h s ILE 123 Cb -0.09 -0.44 0.04 0.00 -1.58 0.00 0.00 42.46 40.40 1j7h s ILE 123 CO -0.01 0.22 0.05 -1.83 -1.23 0.00 0.00 174.94 172.14 1j7h s GLU 124 N 2.03 0.19 0.26 2.79 -1.05 -1.12 0.44 118.70 122.24 1j7h s GLU 124 Ca 0.05 0.09 0.02 0.00 -0.15 0.00 0.00 54.97 54.98 1j7h s GLU 124 Cb -0.12 -1.19 -0.05 0.00 -0.44 0.00 0.00 34.13 32.33 1j7h s GLU 124 CO -0.05 -0.46 0.06 0.00 0.95 0.00 0.00 175.26 175.76 1j7h s ALA 125 N 2.08 1.88 0.06 -0.84 0.00 -1.25 0.12 121.76 123.81 1j7h s ALA 125 Ca 0.03 -1.88 0.08 0.00 0.00 0.00 0.00 51.96 50.19 1j7h s ALA 125 Cb -0.14 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 1j7h s ALA 125 CO -0.06 -0.37 -0.19 0.42 0.00 0.00 0.00 175.76 175.57 1j7h s ILE 126 N -3.56 2.74 0.05 0.00 -1.09 -0.63 -1.93 121.20 116.78 1j7h s ILE 126 Ca 0.35 -1.27 0.04 0.00 -2.23 0.00 0.00 60.65 57.54 1j7h s ILE 126 Cb 0.07 -2.17 -0.02 0.00 -1.58 0.00 0.00 42.46 38.76 1j7h s ILE 126 CO 0.12 0.29 -0.12 0.00 -1.23 0.00 0.00 174.94 174.01 1j7h s ALA 127 N -0.96 0.93 0.18 9.38 0.00 -0.32 -0.98 121.76 130.00 1j7h s ALA 127 Ca 0.15 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.31 1j7h s ALA 127 Cb -0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 1j7h s ALA 127 CO 0.06 0.11 -0.05 0.14 0.00 0.00 0.00 175.76 176.03 1j7h s VAL 128 N -1.15 1.02 -0.46 0.00 -7.23 -1.19 0.82 120.40 112.21 1j7h s VAL 128 Ca -0.04 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.17 1j7h s VAL 128 Cb -0.09 -2.07 0.28 0.00 0.56 0.00 0.00 36.38 35.05 1j7h s VAL 128 CO 0.01 -0.55 0.93 -2.11 -0.31 0.00 0.00 175.10 173.07 1j7h n ARG 129 N -0.28 0.87 -0.11 4.82 1.85 0.74 -4.74 116.66 119.81 1j7h n ARG 129 Ca -0.08 -2.03 0.00 0.00 -1.00 0.00 0.00 57.85 54.74 1j7h n ARG 129 Cb 0.62 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.72 1j7h n ARG 129 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98