#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 2.08 0.11 0.03 -2.45 -1.26 -4.93 119.30 112.88 1j7h s MET 2 Ca 0.00 -1.13 0.00 0.00 -1.25 0.00 0.00 55.69 53.31 1j7h s MET 2 Cb 0.00 -2.45 0.00 0.00 1.25 0.00 0.00 34.83 33.63 1j7h s MET 2 CO 0.00 -1.09 0.00 2.41 1.05 0.00 0.00 175.02 177.39 1j7h n THR 3 N -2.55-13.16 -4.84 10.11 -1.04 -1.26 -4.89 114.28 96.65 1j7h n THR 3 Ca 0.13 3.20 0.00 0.00 -2.04 0.00 0.00 64.05 65.34 1j7h n THR 3 Cb 0.60 -5.73 0.00 0.00 -1.82 0.00 0.00 70.33 63.39 1j7h n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j7h n GLN 4 N 1.80 0.00 -1.35 -2.82 1.13 0.37 -4.81 117.38 111.70 1j7h n GLN 4 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1j7h n GLN 4 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1j7h n GLN 4 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1j7h n ILE 5 N -0.96 -7.92 -2.94 5.09 -0.00 -1.22 -3.24 119.36 108.17 1j7h n ILE 5 Ca 0.00 1.74 -0.13 0.00 -0.00 0.00 0.00 62.75 64.36 1j7h n ILE 5 Cb 0.00 -3.92 -0.01 0.00 -0.00 0.00 0.00 39.64 35.71 1j7h n ILE 5 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1j7h n ILE 6 N 0.97 -0.33 -3.05 1.39 5.41 -0.69 -3.52 119.36 119.54 1j7h n ILE 6 Ca 0.00 -2.15 -0.36 0.00 1.00 0.00 0.00 62.75 61.25 1j7h n ILE 6 Cb 0.00 0.19 -0.06 0.00 -0.71 0.00 0.00 39.64 39.06 1j7h n ILE 6 CO 0.00 0.00 0.00 -1.38 0.00 0.00 0.00 176.55 175.17 1j7h s HIS 7 N 0.28 3.60 0.03 1.39 -3.43 -1.26 -3.33 115.29 112.57 1j7h s HIS 7 Ca 0.32 1.42 -0.14 0.00 -0.80 0.00 0.00 55.06 55.86 1j7h s HIS 7 Cb 0.12 -2.65 0.02 0.00 -1.43 0.00 0.00 32.58 28.64 1j7h s HIS 7 CO -0.16 0.27 0.31 -0.08 -2.00 0.00 0.00 174.74 173.08 1j7h s THR 8 N -1.62 0.08 -0.51 -5.38 -1.32 -1.26 -4.89 115.64 100.73 1j7h s THR 8 Ca 0.46 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 1j7h s THR 8 Cb -0.16 -0.85 0.48 0.00 -1.51 0.00 0.00 72.50 70.47 1j7h s THR 8 CO 0.21 -0.34 1.94 1.21 -2.21 0.00 0.00 174.62 175.43 1j7h n GLU 9 N 0.78 2.33 0.00 7.08 2.13 -1.26 -4.18 120.64 127.52 1j7h n GLU 9 Ca -0.19 -2.81 0.00 0.00 0.66 0.00 0.00 57.16 54.82 1j7h n GLU 9 Cb 0.58 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.19 1j7h n GLU 9 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1j7h n LYS 10 N -0.78 0.73 -3.15 5.31 4.76 -1.26 -4.98 118.16 118.79 1j7h n LYS 10 Ca 0.55 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.56 1j7h n LYS 10 Cb 1.02 -0.97 -0.07 0.00 -1.84 0.00 0.00 35.03 33.17 1j7h n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j7h s ALA 11 N -1.94 3.37 0.02 7.82 0.00 -1.26 -4.92 121.76 124.85 1j7h s ALA 11 Ca 0.00 -1.23 0.29 0.00 0.00 0.00 0.00 51.96 51.02 1j7h s ALA 11 Cb 0.00 -3.23 1.51 0.00 0.00 0.00 0.00 23.12 21.40 1j7h s ALA 11 CO 0.00 -1.69 1.87 -1.35 0.00 0.00 0.00 175.76 174.60 1j7h h PRO 12 N 8.80 0.00 0.00 0.00 0.11 -1.91 -3.43 132.00 135.57 1j7h h PRO 12 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1j7h h PRO 12 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1j7h h PRO 12 CO 0.86 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.65 1j7h n ALA 13 N -1.87 0.00 -0.76 -0.75 0.00 -1.26 -4.85 120.51 111.02 1j7h n ALA 13 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1j7h n ALA 13 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1j7h n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j7h n ALA 14 N -2.67 0.00 -1.01 0.00 0.00 -1.26 -4.93 120.51 110.63 1j7h n ALA 14 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j7h n ALA 14 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1j7h n ALA 14 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1j7h n ILE 15 N -0.77 0.00 0.00 0.00 5.41 -1.26 -4.99 119.36 117.75 1j7h n ILE 15 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1j7h n ILE 15 Cb 0.00 -0.40 0.00 0.00 -0.71 0.00 0.00 39.64 38.53 1j7h n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1j7h n GLY 16 N -2.94 3.97 1.41 7.39 0.00 -1.26 -4.99 105.19 108.76 1j7h n GLY 16 Ca -0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 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 1.62 -3.83 1.61 -0.04 -1.26 -4.89 135.00 128.22 1j7h n PRO 17 Ca 0.00 -1.16 -0.07 0.00 -0.04 0.00 0.00 63.50 62.23 1j7h n PRO 17 Cb 0.00 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 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 -1.32 0.06 0.29 0.54 1.13 -1.26 -5.18 117.35 111.61 1j7h s TYR 18 Ca 0.22 -0.63 0.07 0.00 -1.41 0.00 0.00 57.07 55.32 1j7h s TYR 18 Cb 0.18 0.78 -0.03 0.00 -1.10 0.00 0.00 41.96 41.79 1j7h s TYR 18 CO 0.04 -1.34 0.24 0.14 -2.51 0.00 0.00 175.55 172.12 1j7h s VAL 19 N -2.52 4.02 0.12 -3.49 -7.23 -1.26 -4.29 120.40 105.75 1j7h s VAL 19 Ca 0.16 -1.39 -0.24 0.00 -1.81 0.00 0.00 61.98 58.69 1j7h s VAL 19 Cb -0.04 -3.30 -0.06 0.00 0.56 0.00 0.00 36.38 33.54 1j7h s VAL 19 CO 0.09 -0.27 1.66 1.56 -0.31 0.00 0.00 175.10 177.83 1j7h h GLN 20 N 1.38 -0.29 0.00 4.82 4.20 -1.94 -3.46 115.11 119.82 1j7h h GLN 20 Ca -0.47 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 1j7h h GLN 20 Cb 1.25 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 1j7h h GLN 20 CO 0.60 -0.19 0.06 0.00 -0.67 0.00 0.00 178.83 178.62 1j7h n ALA 21 N -2.53 -0.44 -3.71 3.87 0.00 -1.21 -3.50 120.51 112.99 1j7h n ALA 21 Ca -0.05 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 52.89 1j7h n ALA 21 Cb 0.23 0.29 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 1j7h n ALA 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1j7h s VAL 22 N -2.72 -0.04 -0.42 0.00 -7.23 -0.62 -1.70 120.40 107.66 1j7h s VAL 22 Ca 0.05 0.15 -0.07 0.00 -1.81 0.00 0.00 61.98 60.30 1j7h s VAL 22 Cb -0.01 -0.33 0.09 0.00 0.56 0.00 0.00 36.38 36.69 1j7h s VAL 22 CO 0.04 0.06 0.25 -0.62 -0.31 0.00 0.00 175.10 174.52 1j7h s ASP 23 N 1.19 5.52 0.25 4.85 -1.08 -1.20 -1.26 116.67 124.94 1j7h s ASP 23 Ca -0.09 -1.71 0.21 0.00 -0.52 0.00 0.00 52.55 50.44 1j7h s ASP 23 Cb -0.10 -1.94 0.97 0.00 -1.46 0.00 0.00 42.92 40.38 1j7h s ASP 23 CO -0.07 -0.56 1.65 0.18 0.52 0.00 0.00 175.17 176.88 1j7h n LEU 24 N 4.82 0.56 0.00 -1.34 4.77 -0.28 0.14 117.00 125.67 1j7h n LEU 24 Ca -0.08 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1j7h n LEU 24 Cb 0.42 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1j7h n LEU 24 CO 0.38 -0.65 0.00 0.61 -1.33 0.00 0.00 177.39 176.40 1j7h n GLY 25 N -0.43 1.65 0.26 -0.72 0.00 -1.26 -4.64 105.19 100.04 1j7h n GLY 25 Ca 0.01 -0.78 0.09 0.00 0.00 0.00 0.00 46.02 45.34 1j7h n GLY 25 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1j7h h ASN 26 N 0.00 0.00 -4.07 1.61 2.35 -1.88 -3.42 115.58 110.18 1j7h h ASN 26 Ca 0.00 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.36 1j7h h ASN 26 Cb 0.00 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 38.09 1j7h h ASN 26 CO 0.00 0.06 -0.78 -0.76 -1.65 0.00 0.00 177.43 174.30 1j7h s LEU 27 N -8.59 2.03 0.00 1.61 1.02 -1.26 0.11 118.68 113.59 1j7h s LEU 27 Ca -0.05 -0.19 0.07 0.00 0.02 0.00 0.00 54.13 53.99 1j7h s LEU 27 Cb 0.16 -0.47 0.07 0.00 0.02 0.00 0.00 46.19 45.97 1j7h s LEU 27 CO 0.65 0.10 0.57 1.33 0.02 0.00 0.00 176.35 179.02 1j7h n VAL 28 N 2.78 0.00 -3.64 -1.59 0.24 0.18 -1.12 118.33 115.18 1j7h n VAL 28 Ca -0.14 -1.96 -0.08 0.00 -2.04 0.00 0.00 64.34 60.12 1j7h n VAL 28 Cb 0.57 -0.29 -0.07 0.00 -1.47 0.00 0.00 33.84 32.58 1j7h n VAL 28 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1j7h s LEU 29 N 0.00 -0.57 -0.11 1.34 1.43 -0.39 -3.06 118.68 117.31 1j7h s LEU 29 Ca 0.43 1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 54.55 1j7h s LEU 29 Cb -0.03 2.02 -0.03 0.00 0.03 0.00 0.00 46.19 48.17 1j7h s LEU 29 CO 0.28 -0.17 -0.03 0.42 0.23 0.00 0.00 176.35 177.07 1j7h s THR 30 N 0.65 3.99 0.92 5.49 -4.23 0.20 -1.59 115.64 121.08 1j7h s THR 30 Ca -0.01 -0.35 -0.14 0.00 -1.18 0.00 0.00 61.69 60.00 1j7h s THR 30 Cb -0.05 -2.70 0.18 0.00 1.34 0.00 0.00 72.50 71.28 1j7h s THR 30 CO -0.08 0.56 1.28 -0.94 -0.54 0.00 0.00 174.62 174.89 1j7h s SER 31 N -0.34 3.37 -0.64 3.99 1.04 -1.23 -3.46 113.70 116.43 1j7h s SER 31 Ca 0.06 0.26 -0.26 0.00 0.48 0.00 0.00 55.95 56.49 1j7h s SER 31 Cb -0.12 -0.38 -0.09 0.00 0.10 0.00 0.00 66.02 65.53 1j7h s SER 31 CO 0.02 -2.57 2.34 -0.83 0.98 0.00 0.00 173.24 173.18 1j7h s GLY 32 N -4.85 -0.50 0.61 7.32 0.00 -1.23 -4.28 107.32 104.38 1j7h s GLY 32 Ca 0.72 -0.43 -0.18 0.00 0.00 0.00 0.00 44.72 44.83 1j7h s GLY 32 CO 0.52 4.08 1.19 1.20 0.00 0.00 0.00 173.10 180.10 1j7h s GLN 33 N 8.34 2.89 -0.11 2.90 1.11 0.31 -4.79 119.66 130.31 1j7h s GLN 33 Ca 0.92 1.76 0.00 0.00 0.01 0.00 0.00 55.36 58.05 1j7h s GLN 33 Cb -0.14 -1.93 0.02 0.00 -1.01 0.00 0.00 33.01 29.95 1j7h s GLN 33 CO 0.17 -1.26 -0.09 -1.50 0.01 0.00 0.00 175.29 172.63 1j7h s ILE 34 N -1.72 1.08 -0.57 1.08 1.10 -1.26 -3.13 121.20 117.79 1j7h s ILE 34 Ca 0.76 -0.35 -0.04 0.00 -0.51 0.00 0.00 60.65 60.51 1j7h s ILE 34 Cb -0.29 -1.07 -0.04 0.00 0.15 0.00 0.00 42.46 41.21 1j7h s ILE 34 CO 0.35 0.37 1.76 -2.65 -2.11 0.00 0.00 174.94 172.66 1j7h n PRO 35 N 4.72 1.37 -2.06 3.50 -0.02 -1.26 -4.62 135.00 136.63 1j7h n PRO 35 Ca -0.15 -1.08 -0.28 0.00 -2.02 0.00 0.00 63.50 59.98 1j7h n PRO 35 Cb 0.50 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 1j7h n PRO 35 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j7h s VAL 36 N 3.73 3.50 0.04 -1.45 1.01 -0.98 -2.76 120.40 123.49 1j7h s VAL 36 Ca 0.27 -0.63 -0.39 0.00 0.00 0.00 0.00 61.98 61.24 1j7h s VAL 36 Cb 0.08 -4.27 -0.18 0.00 0.00 0.00 0.00 36.38 32.00 1j7h s VAL 36 CO -0.02 -0.98 1.20 -3.20 0.00 0.00 0.00 175.10 172.10 1j7h n ASN 37 N 14.09 0.78 0.00 3.32 5.15 -1.25 -4.37 115.26 132.98 1j7h n ASN 37 Ca 0.42 1.14 0.08 0.00 -0.60 0.00 0.00 54.58 55.62 1j7h n ASN 37 Cb 0.47 -1.05 0.34 0.00 -0.53 0.00 0.00 39.78 39.02 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 2.01 0.02 -0.08 1.20 -0.04 -1.26 0.28 135.00 137.12 1j7h n PRO 38 Ca 0.19 0.22 -0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1j7h n PRO 38 Cb 0.13 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.48 1.44 -0.01 0.55 0.00 -1.26 -4.67 120.51 115.08 1j7h n ALA 39 Ca 0.04 -1.13 -0.01 0.00 0.00 0.00 0.00 53.44 52.35 1j7h n ALA 39 Cb 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.97 0.12 -1.63 0.00 5.66 -1.12 -5.07 114.28 109.28 1j7h n THR 40 Ca -0.33 -0.09 -0.01 0.00 -3.05 0.00 0.00 64.05 60.57 1j7h n THR 40 Cb 1.09 -0.64 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 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 2.75 0.74 0.00 1.09 0.00 0.80 -4.94 105.19 105.63 1j7h n GLY 41 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.61 0.00 -3.55 1.61 0.28 -1.24 -4.76 120.64 111.36 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 0.51 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.34 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 -0.95 0.38 3.84 0.11 -1.11 -2.32 120.40 120.36 1j7h s VAL 43 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 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 1.36 -2.65 -3.33 0.00 0.00 175.10 170.48 1j7h n PRO 44 N 5.41 2.24 0.17 1.54 -0.02 -1.25 -4.87 135.00 138.22 1j7h n PRO 44 Ca -0.10 0.79 0.04 0.00 -2.02 0.00 0.00 63.50 62.21 1j7h n PRO 44 Cb 0.50 -2.47 0.45 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.51 1.61 -1.04 3.55 0.00 -2.00 -3.39 119.26 120.51 1j7h h ALA 45 Ca -0.48 -0.18 -0.44 0.00 0.00 0.00 0.00 54.91 53.81 1j7h h ALA 45 Cb 1.27 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1j7h h ALA 45 CO 0.62 0.29 1.09 -0.51 0.00 0.00 0.00 179.25 180.73 1j7h s ASP 46 N -6.94 5.62 0.52 0.00 1.11 -1.26 -4.82 116.67 110.91 1j7h s ASP 46 Ca -0.05 -0.65 0.42 0.00 0.18 0.00 0.00 52.55 52.45 1j7h s ASP 46 Cb 0.16 -2.56 1.61 0.00 1.07 0.00 0.00 42.92 43.20 1j7h s ASP 46 CO 0.71 -2.26 1.64 0.40 1.18 0.00 0.00 175.17 176.84 1j7h h ILE 47 N 6.93 0.13 0.19 0.77 1.08 -1.98 0.97 117.51 125.60 1j7h h ILE 47 Ca 0.01 -0.01 -0.26 0.00 -0.39 0.00 0.00 64.86 64.21 1j7h h ILE 47 Cb 1.04 0.10 0.03 0.00 -3.07 0.00 0.00 36.82 34.92 1j7h h ILE 47 CO 1.28 0.01 -1.14 0.58 -0.69 0.00 0.00 178.15 178.18 1j7h h VAL 48 N 0.03 1.38 -0.33 1.67 2.07 -1.93 -2.43 116.25 116.71 1j7h h VAL 48 Ca 0.82 -2.60 -0.05 0.00 0.82 0.00 0.00 66.70 65.69 1j7h h VAL 48 Cb 3.10 3.11 -0.01 0.00 -1.52 0.00 0.00 31.29 35.97 1j7h h VAL 48 CO -0.13 0.76 0.01 0.00 0.02 0.00 0.00 177.57 178.23 1j7h h ALA 49 N 0.11 0.45 0.00 1.67 0.00 0.30 -1.53 119.26 120.26 1j7h h ALA 49 Ca -0.20 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1j7h h ALA 49 Cb 1.88 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1j7h h ALA 49 CO 0.20 0.19 -0.30 -0.56 0.00 0.00 0.00 179.25 178.78 1j7h h GLN 50 N 0.39 0.00 -0.21 0.00 -0.00 -0.16 -0.45 115.11 114.68 1j7h h GLN 50 Ca 0.10 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.56 1j7h h GLN 50 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.91 1j7h h GLN 50 CO 0.01 0.30 -0.60 0.00 -0.00 0.00 0.00 178.83 178.54 1j7h h ALA 51 N 1.70 0.36 0.02 0.06 0.00 -1.07 -1.89 119.26 118.43 1j7h h ALA 51 Ca -0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 54.91 54.17 1j7h h ALA 51 Cb 0.62 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1j7h h ALA 51 CO 0.04 0.61 -0.92 0.07 0.00 0.00 0.00 179.25 179.05 1j7h h ARG 52 N 0.52 0.17 -0.37 0.00 0.11 -1.07 -2.98 114.38 110.76 1j7h h ARG 52 Ca -0.02 -0.21 -0.14 0.00 0.10 0.00 0.00 59.98 59.72 1j7h h ARG 52 Cb 1.22 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 1j7h h ARG 52 CO 0.13 0.98 -0.30 1.96 0.10 0.00 0.00 179.97 182.83 1j7h h GLN 53 N 0.09 0.85 -0.66 0.08 7.50 -1.10 -1.60 115.11 120.27 1j7h h GLN 53 Ca -0.05 -0.43 -0.06 0.00 0.50 0.00 0.00 58.65 58.61 1j7h h GLN 53 Cb 1.57 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 29.08 1j7h h GLN 53 CO 0.14 1.07 0.16 1.03 -1.50 0.00 0.00 178.83 179.73 1j7h h SER 54 N 0.65 0.98 -0.37 1.46 0.87 -1.39 -2.20 113.55 113.55 1j7h h SER 54 Ca 0.07 -0.20 -0.14 0.00 -1.23 0.00 0.00 61.79 60.30 1j7h h SER 54 Cb 0.88 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1j7h h SER 54 CO 0.08 0.94 -0.30 -0.07 -0.53 0.00 0.00 176.83 176.95 1j7h h LEU 55 N 0.99 0.90 -0.61 2.23 3.38 -1.44 -2.87 115.31 117.88 1j7h h LEU 55 Ca 0.21 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1j7h h LEU 55 Cb 0.34 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1j7h h LEU 55 CO 0.00 1.16 0.39 -0.33 0.09 0.00 0.00 178.44 179.75 1j7h h GLU 56 N 0.65 0.76 -0.70 1.13 5.08 -1.07 -1.96 114.58 118.48 1j7h h GLU 56 Ca 0.07 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1j7h h GLU 56 Cb 0.88 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1j7h h GLU 56 CO 0.08 0.51 0.42 -0.91 -1.00 0.00 0.00 179.01 178.10 1j7h h ASN 57 N 0.79 0.83 -0.33 1.42 4.21 -1.36 0.19 115.58 121.34 1j7h h ASN 57 Ca 0.24 -0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.68 1j7h h ASN 57 Cb -0.04 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 36.94 1j7h h ASN 57 CO -0.07 0.64 0.14 0.58 -1.29 0.00 0.00 177.43 177.43 1j7h h VAL 58 N 0.96 1.18 -0.07 2.81 2.07 -1.15 -2.29 116.25 119.77 1j7h h VAL 58 Ca 0.25 -0.53 -0.15 0.00 0.82 0.00 0.00 66.70 67.09 1j7h h VAL 58 Cb -0.03 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1j7h h VAL 58 CO -0.05 0.19 -0.61 0.11 0.02 0.00 0.00 177.57 177.24 1j7h h LYS 59 N 0.39 0.23 -0.93 1.57 1.57 -0.98 -2.94 116.57 115.47 1j7h h LYS 59 Ca 0.11 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1j7h h LYS 59 Cb 0.17 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1j7h h LYS 59 CO -0.01 0.76 0.59 0.00 -0.57 0.00 0.00 179.45 180.22 1j7h h ALA 60 N 1.20 1.28 -0.34 3.86 0.00 -0.36 0.39 119.26 125.29 1j7h h ALA 60 Ca -0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1j7h h ALA 60 Cb 1.11 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1j7h h ALA 60 CO 0.09 0.64 -0.38 0.82 0.00 0.00 0.00 179.25 180.42 1j7h h ILE 61 N 1.28 1.28 -0.16 0.00 2.04 -1.34 -0.70 117.51 119.90 1j7h h ILE 61 Ca 0.34 -1.56 -0.14 0.00 1.00 0.00 0.00 64.86 64.50 1j7h h ILE 61 Cb -0.10 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1j7h h ILE 61 CO -0.07 0.51 -0.50 0.40 0.00 0.00 0.00 178.15 178.50 1j7h h ILE 62 N 0.66 1.33 -0.28 -0.67 2.04 -1.28 -2.49 117.51 116.83 1j7h h ILE 62 Ca 0.05 -1.73 -0.12 0.00 1.00 0.00 0.00 64.86 64.06 1j7h h ILE 62 Cb 0.98 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1j7h h ILE 62 CO 0.09 0.53 -0.30 -0.08 0.00 0.00 0.00 178.15 178.39 1j7h h GLU 63 N 0.34 0.70 0.00 2.37 4.81 -0.15 -1.32 114.58 121.32 1j7h h GLU 63 Ca 0.02 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1j7h h GLU 63 Cb 0.99 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1j7h h GLU 63 CO 0.09 0.99 0.00 0.87 -0.73 0.00 0.00 179.01 180.23 1j7h h LYS 64 N 0.43 0.00 0.06 1.92 1.79 -1.05 -2.40 116.57 117.31 1j7h h LYS 64 Ca 0.04 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.21 1j7h h LYS 64 Cb 0.88 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.50 1j7h h LYS 64 CO 0.07 0.00 -1.68 0.00 -1.08 0.00 0.00 179.45 176.77 1j7h h ALA 65 N 2.16 0.55 0.00 3.86 0.00 -1.08 -3.49 119.26 121.26 1j7h h ALA 65 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.59 1j7h h ALA 65 Cb 0.29 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1j7h h ALA 65 CO 0.00 1.39 0.00 0.41 0.00 0.00 0.00 179.25 181.05 1j7h n GLY 66 N 1.66 0.74 2.68 0.00 0.00 -0.81 -5.10 105.19 104.36 1j7h n GLY 66 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1j7h n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j7h n LEU 67 N 0.00 0.00 -4.16 0.99 4.77 -0.57 -5.01 117.00 113.02 1j7h n LEU 67 Ca 0.00 -2.21 -0.10 0.00 -0.03 0.00 0.00 56.01 53.67 1j7h n LEU 67 Cb 0.00 2.13 -0.10 0.00 -2.33 0.00 0.00 43.42 43.12 1j7h n LEU 67 CO 0.00 -0.54 -0.31 0.42 -1.33 0.00 0.00 177.39 175.64 1j7h s THR 68 N -2.67 0.21 0.41 -5.08 -4.23 -1.26 -3.66 115.64 99.36 1j7h s THR 68 Ca 0.21 -1.92 0.16 0.00 -1.18 0.00 0.00 61.69 58.97 1j7h s THR 68 Cb -0.01 -2.03 0.37 0.00 1.34 0.00 0.00 72.50 72.17 1j7h s THR 68 CO 0.15 -0.50 1.87 0.00 -0.54 0.00 0.00 174.62 175.61 1j7h h ALA 69 N 2.85 2.14 0.00 3.99 0.00 -1.92 0.39 119.26 126.71 1j7h h ALA 69 Ca -0.35 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1j7h h ALA 69 Cb 1.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1j7h h ALA 69 CO 0.60 -0.41 -0.01 0.00 0.00 0.00 0.00 179.25 179.44 1j7h h ALA 70 N 1.62 1.22 0.00 0.00 0.00 -1.76 0.67 119.26 121.01 1j7h h ALA 70 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1j7h h ALA 70 Cb 1.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1j7h h ALA 70 CO -0.17 0.01 -0.10 -0.44 0.00 0.00 0.00 179.25 178.56 1j7h h ASP 71 N 0.00 0.00 -2.35 0.00 5.19 -0.54 -3.46 116.42 115.26 1j7h h ASP 71 Ca -0.00 -0.01 -0.55 0.00 -0.62 0.00 0.00 57.03 55.85 1j7h h ASP 71 Cb 0.05 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.59 1j7h h ASP 71 CO 0.00 0.00 1.11 -0.38 -3.12 0.00 0.00 179.24 176.85 1j7h n ILE 72 N -2.82 0.46 -0.01 0.35 2.08 0.23 -1.05 119.36 118.59 1j7h n ILE 72 Ca 0.04 -0.08 -0.04 0.00 0.56 0.00 0.00 62.75 63.23 1j7h n ILE 72 Cb 0.50 -2.06 -0.12 0.00 -0.75 0.00 0.00 39.64 37.21 1j7h n ILE 72 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1j7h n VAL 73 N 4.84 1.27 -3.87 1.39 0.24 -0.54 -4.48 118.33 117.18 1j7h n VAL 73 Ca 0.19 -0.74 -0.10 0.00 -2.04 0.00 0.00 64.34 61.66 1j7h n VAL 73 Cb 0.36 -0.73 -0.06 0.00 -1.47 0.00 0.00 33.84 31.94 1j7h n VAL 73 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1j7h s LYS 74 N -2.79 1.22 -0.27 7.34 2.20 -1.19 -0.61 119.74 125.64 1j7h s LYS 74 Ca -0.05 -1.05 -0.04 0.00 -0.36 0.00 0.00 55.97 54.47 1j7h s LYS 74 Cb 0.08 0.43 0.15 0.00 -1.51 0.00 0.00 37.83 36.98 1j7h s LYS 74 CO 0.83 -0.47 0.52 0.95 -0.36 0.00 0.00 175.35 176.81 1j7h s THR 75 N -3.93 -0.84 0.10 3.43 -4.23 0.28 -2.01 115.64 108.45 1j7h s THR 75 Ca 0.13 0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.66 1j7h s THR 75 Cb 0.02 -0.90 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 1j7h s THR 75 CO -0.02 -0.02 0.25 -0.89 -0.54 0.00 0.00 174.62 173.39 1j7h s THR 76 N 2.74 5.36 -0.18 3.99 2.01 -0.12 -3.26 115.64 126.18 1j7h s THR 76 Ca 0.11 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 61.48 1j7h s THR 76 Cb -0.14 -3.68 0.07 0.00 0.01 0.00 0.00 72.50 68.75 1j7h s THR 76 CO -0.18 0.03 0.41 -0.69 -0.69 0.00 0.00 174.62 173.50 1j7h s VAL 77 N -1.62 -0.19 -0.31 3.82 1.01 -1.20 -2.59 120.40 119.32 1j7h s VAL 77 Ca 0.35 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.35 1j7h s VAL 77 Cb -0.12 -0.63 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 1j7h s VAL 77 CO 0.28 0.05 0.13 -0.36 0.00 0.00 0.00 175.10 175.20 1j7h s PHE 78 N 1.72 3.17 0.05 5.22 0.08 -1.15 -2.74 117.98 124.33 1j7h s PHE 78 Ca -0.07 -0.67 0.02 0.00 0.12 0.00 0.00 56.93 56.33 1j7h s PHE 78 Cb -0.09 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 1j7h s PHE 78 CO -0.13 -0.48 0.07 0.14 -0.10 0.00 0.00 175.22 174.72 1j7h s VAL 79 N 1.58 4.54 -1.60 -0.44 -7.23 -0.83 -2.18 120.40 114.24 1j7h s VAL 79 Ca 0.04 -0.68 0.30 0.00 -1.81 0.00 0.00 61.98 59.83 1j7h s VAL 79 Cb -0.17 -3.15 0.55 0.00 0.56 0.00 0.00 36.38 34.18 1j7h s VAL 79 CO 0.05 0.20 2.01 1.17 -0.31 0.00 0.00 175.10 178.21 1j7h n LYS 80 N 0.70 0.61 -3.64 4.82 4.81 -1.19 -0.70 118.16 123.57 1j7h n LYS 80 Ca -0.10 -0.09 -0.07 0.00 -0.87 0.00 0.00 58.31 57.17 1j7h n LYS 80 Cb 0.52 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 34.00 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 -2.45 -0.67 0.00 3.14 -1.08 -1.26 -4.86 116.67 109.49 1j7h s ASP 81 Ca 0.31 1.15 0.16 0.00 -0.52 0.00 0.00 52.55 53.65 1j7h s ASP 81 Cb 0.20 1.23 0.72 0.00 -1.46 0.00 0.00 42.92 43.61 1j7h s ASP 81 CO 0.45 -0.19 1.50 0.18 0.52 0.00 0.00 175.17 177.63 1j7h n LEU 82 N 3.34 0.00 0.07 -1.34 4.77 -1.26 -2.26 117.00 120.32 1j7h n LEU 82 Ca -0.17 0.44 0.03 0.00 -0.03 0.00 0.00 56.01 56.29 1j7h n LEU 82 Cb 0.57 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1j7h n LEU 82 CO 0.01 -0.20 -0.08 0.78 -1.33 0.00 0.00 177.39 176.57 1j7h h ASN 83 N 0.00 0.00 1.37 -1.43 2.35 -2.00 -3.32 115.58 112.55 1j7h h ASN 83 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1j7h h ASN 83 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1j7h h ASN 83 CO 0.00 0.42 -0.18 0.44 -1.65 0.00 0.00 177.43 176.47 1j7h h ASP 84 N 0.00 0.00 0.15 5.81 3.32 -1.87 -3.09 116.42 120.74 1j7h h ASP 84 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1j7h h ASP 84 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1j7h h ASP 84 CO 0.04 0.18 0.00 0.15 -1.72 0.00 0.00 179.24 177.88 1j7h h PHE 85 N 0.00 0.00 -0.93 4.55 3.04 -1.66 -2.63 116.94 119.31 1j7h h PHE 85 Ca -0.00 0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.07 1j7h h PHE 85 Cb 0.91 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.33 1j7h h PHE 85 CO 0.00 0.00 0.55 0.00 -2.02 0.00 0.00 178.31 176.84 1j7h h ALA 86 N 2.02 1.39 0.00 2.41 0.00 -1.77 0.95 119.26 124.26 1j7h h ALA 86 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1j7h h ALA 86 Cb 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1j7h h ALA 86 CO 0.00 0.12 -1.36 0.00 0.00 0.00 0.00 179.25 178.01 1j7h h ALA 87 N 1.53 0.66 -0.04 0.00 0.00 -1.73 -3.13 119.26 116.54 1j7h h ALA 87 Ca 0.47 -1.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 1j7h h ALA 87 Cb 0.51 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1j7h h ALA 87 CO -0.28 1.17 -0.24 0.28 0.00 0.00 0.00 179.25 180.18 1j7h h VAL 88 N 0.00 1.47 -0.73 0.00 2.07 -1.27 -2.79 116.25 115.00 1j7h h VAL 88 Ca -0.17 -1.72 -0.06 0.00 0.82 0.00 0.00 66.70 65.57 1j7h h VAL 88 Cb 1.74 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 33.94 1j7h h VAL 88 CO 0.07 0.48 0.21 -1.13 0.02 0.00 0.00 177.57 177.22 1j7h h ASN 89 N -0.33 1.09 -0.99 0.57 -1.24 0.75 1.26 115.58 116.69 1j7h h ASN 89 Ca -0.02 -0.22 0.03 0.00 0.71 0.00 0.00 56.30 56.80 1j7h h ASN 89 Cb 0.91 -0.29 -0.06 0.00 0.73 0.00 0.00 38.32 39.62 1j7h h ASN 89 CO 0.05 1.02 0.65 0.00 -1.29 0.00 0.00 177.43 177.86 1j7h h ALA 90 N 1.11 1.30 0.00 1.57 0.00 -1.59 -2.41 119.26 119.24 1j7h h ALA 90 Ca 0.23 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 1j7h h ALA 90 Cb 0.34 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1j7h h ALA 90 CO -0.00 0.57 -1.42 1.49 0.00 0.00 0.00 179.25 179.89 1j7h h GLU 91 N 1.28 0.00 -0.69 0.00 4.57 -1.19 -3.08 114.58 115.48 1j7h h GLU 91 Ca 0.39 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.68 1j7h h GLU 91 Cb -0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.47 1j7h h GLU 91 CO -0.11 0.50 0.29 -0.92 -1.18 0.00 0.00 179.01 177.59 1j7h h TYR 92 N 0.00 0.51 0.00 0.92 3.20 0.21 0.16 116.97 121.97 1j7h h TYR 92 Ca -0.18 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.58 1j7h h TYR 92 Cb 1.79 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.91 1j7h h TYR 92 CO 0.00 0.13 -1.11 1.49 -1.64 0.00 0.00 178.16 177.04 1j7h h GLU 93 N 0.48 0.00 0.00 1.82 4.81 -1.61 -3.20 114.58 116.89 1j7h h GLU 93 Ca 0.35 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1j7h h GLU 93 Cb 0.45 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1j7h h GLU 93 CO -0.32 0.34 -0.09 -0.09 -0.73 0.00 0.00 179.01 178.12 1j7h h ARG 94 N 0.00 0.00 0.04 1.92 2.43 -1.21 -3.13 114.38 114.43 1j7h h ARG 94 Ca -0.10 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.74 1j7h h ARG 94 Cb 1.49 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.00 1j7h h ARG 94 CO 0.05 0.09 -1.87 1.97 -1.51 0.00 0.00 179.97 178.70 1j7h n PHE 95 N -3.18 1.00 0.29 2.20 1.16 0.49 -3.17 117.46 116.24 1j7h n PHE 95 Ca 0.01 0.30 -0.17 0.00 -1.87 0.00 0.00 57.45 55.72 1j7h n PHE 95 Cb 0.41 -1.16 -0.09 0.00 -1.61 0.00 0.00 39.48 37.04 1j7h n PHE 95 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 1j7h h PHE 96 N 0.02 -1.13 -0.05 2.97 0.04 -1.53 0.87 116.94 118.14 1j7h h PHE 96 Ca -0.36 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.37 1j7h h PHE 96 Cb 2.03 0.43 -0.01 0.00 2.20 0.00 0.00 35.95 40.60 1j7h h PHE 96 CO 0.03 -0.59 -0.20 -0.22 -0.60 0.00 0.00 178.31 176.73 1j7h h LYS 97 N -0.90 0.09 0.00 1.51 3.64 -1.67 0.75 116.57 119.97 1j7h h LYS 97 Ca -0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1j7h h LYS 97 Cb 0.78 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1j7h h LYS 97 CO -0.02 0.29 0.00 -1.91 -2.27 0.00 0.00 179.45 175.54 1j7h n GLU 98 N -4.26 0.07 0.00 1.90 0.00 -0.76 -2.65 120.64 114.93 1j7h n GLU 98 Ca -0.02 0.04 0.06 0.00 0.00 0.00 0.00 57.16 57.24 1j7h n GLU 98 Cb 0.28 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.22 1j7h n GLU 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1j7h n ASN 99 N -1.46 1.26 -0.33 4.31 4.13 0.30 -4.99 115.26 118.48 1j7h n ASN 99 Ca 0.08 -1.13 0.00 0.00 1.68 0.00 0.00 54.58 55.20 1j7h n ASN 99 Cb 0.29 0.50 0.00 0.00 -1.54 0.00 0.00 39.78 39.03 1j7h n ASN 99 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1j7h n ASN 100 N -0.29 -1.44 -3.27 6.41 3.02 0.25 -4.33 115.26 115.61 1j7h n ASN 100 Ca 0.05 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.35 1j7h n ASN 100 Cb 0.24 -0.39 -0.07 0.00 -0.61 0.00 0.00 39.78 38.95 1j7h n ASN 100 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1j7h n HIS 101 N -2.13 1.57 0.40 3.10 -0.00 0.23 -4.24 115.22 114.14 1j7h n HIS 101 Ca 0.00 -3.85 0.12 0.00 0.46 0.00 0.00 57.72 54.46 1j7h n HIS 101 Cb 0.39 -0.45 0.23 0.00 -0.12 0.00 0.00 29.99 30.04 1j7h n HIS 101 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1j7h h PRO 102 N 3.96 0.00 -0.71 1.57 0.14 -1.90 -3.31 132.00 131.74 1j7h h PRO 102 Ca 0.13 0.00 0.02 0.00 0.14 0.00 0.00 66.00 66.29 1j7h h PRO 102 Cb 0.77 0.00 -0.04 0.00 0.14 0.00 0.00 31.00 31.88 1j7h h PRO 102 CO 0.64 0.00 0.47 -0.97 0.14 0.00 0.00 178.00 178.28 1j7h h ASN 103 N 0.00 0.77 -3.10 1.44 -0.00 -1.95 -3.49 115.58 109.24 1j7h h ASN 103 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.29 1j7h h ASN 103 Cb 0.87 -0.18 0.00 0.00 -0.00 0.00 0.00 38.32 39.01 1j7h h ASN 103 CO 0.00 0.54 -0.06 0.49 -0.00 0.00 0.00 177.43 178.40 1j7h n PHE 104 N -4.45 -0.31 -2.52 0.67 3.72 -1.25 -5.06 117.46 108.26 1j7h n PHE 104 Ca 0.08 0.19 -0.27 0.00 -0.05 0.00 0.00 57.45 57.41 1j7h n PHE 104 Cb 0.09 -2.11 0.02 0.00 -0.94 0.00 0.00 39.48 36.54 1j7h n PHE 104 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1j7h s PRO 105 N -2.36 3.15 1.32 -1.08 0.04 -1.26 -5.02 135.00 129.79 1j7h s PRO 105 Ca 0.00 0.03 -0.19 0.00 0.04 0.00 0.00 61.00 60.87 1j7h s PRO 105 Cb 0.00 -2.33 0.32 0.00 0.04 0.00 0.00 34.50 32.53 1j7h s PRO 105 CO 0.00 -0.49 0.81 0.00 0.04 0.00 0.00 177.00 177.36 1j7h n ALA 106 N -2.43 -4.03 -3.60 8.56 0.00 0.22 -4.58 120.51 114.64 1j7h n ALA 106 Ca 0.03 -1.59 -0.04 0.00 0.00 0.00 0.00 53.44 51.84 1j7h n ALA 106 Cb 0.57 -1.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 1j7h n ALA 106 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1j7h s ARG 107 N -4.57 0.51 -0.43 0.00 1.70 -1.25 1.00 118.95 115.90 1j7h s ARG 107 Ca 0.64 -0.23 0.05 0.00 -0.47 0.00 0.00 55.73 55.72 1j7h s ARG 107 Cb -0.16 0.21 0.17 0.00 -0.57 0.00 0.00 34.95 34.60 1j7h s ARG 107 CO 0.59 -0.23 0.49 -1.12 -1.08 0.00 0.00 175.30 173.95 1j7h s SER 108 N -2.51 0.27 -0.20 -2.89 0.01 -1.20 -4.94 113.70 102.24 1j7h s SER 108 Ca 0.10 -2.06 -0.21 0.00 1.31 0.00 0.00 55.95 55.10 1j7h s SER 108 Cb 0.00 0.74 -0.03 0.00 0.21 0.00 0.00 66.02 66.95 1j7h s SER 108 CO -0.05 -0.16 0.62 0.00 0.41 0.00 0.00 173.24 174.06 1j7h s VAL 110 N 1.86 0.08 -0.80 0.00 -7.23 -1.11 -5.02 120.40 108.19 1j7h s VAL 110 Ca 0.28 -0.68 -0.25 0.00 -1.81 0.00 0.00 61.98 59.53 1j7h s VAL 110 Cb -0.16 -0.34 0.05 0.00 0.56 0.00 0.00 36.38 36.49 1j7h s VAL 110 CO 0.10 -0.37 1.26 -0.70 -0.31 0.00 0.00 175.10 175.08 1j7h s GLU 111 N -1.23 3.28 0.65 4.82 2.12 -1.26 -1.96 118.70 125.13 1j7h s GLU 111 Ca -0.13 -0.60 -0.11 0.00 0.36 0.00 0.00 54.97 54.49 1j7h s GLU 111 Cb -0.08 -4.48 -0.02 0.00 0.26 0.00 0.00 34.13 29.81 1j7h s GLU 111 CO 0.01 -2.09 1.04 0.14 -0.54 0.00 0.00 175.26 173.82 1j7h s VAL 112 N 5.17 4.39 0.05 3.70 -7.23 0.13 -4.95 120.40 121.66 1j7h s VAL 112 Ca 0.35 0.78 -0.19 0.00 -1.81 0.00 0.00 61.98 61.11 1j7h s VAL 112 Cb -0.07 -3.69 -0.13 0.00 0.56 0.00 0.00 36.38 33.04 1j7h s VAL 112 CO 0.08 -1.02 1.36 0.00 -0.31 0.00 0.00 175.10 175.22 1j7h h ALA 113 N -0.47 0.25 -2.97 1.32 0.00 -1.94 -3.41 119.26 112.04 1j7h h ALA 113 Ca -0.44 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.07 1j7h h ALA 113 Cb 1.20 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1j7h h ALA 113 CO 0.61 0.15 0.14 1.03 0.00 0.00 0.00 179.25 181.18 1j7h s ARG 114 N -4.35 2.06 0.09 0.00 0.52 -1.26 -5.00 118.95 111.02 1j7h s ARG 114 Ca -0.14 -1.44 -0.07 0.00 -0.52 0.00 0.00 55.73 53.57 1j7h s ARG 114 Cb 0.06 0.58 -0.01 0.00 0.52 0.00 0.00 34.95 36.09 1j7h s ARG 114 CO 0.76 -0.94 0.15 -0.51 0.02 0.00 0.00 175.30 174.78 1j7h s LEU 115 N -3.08 1.63 0.22 2.53 1.43 -1.26 -5.05 118.68 115.10 1j7h s LEU 115 Ca 0.19 -0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 52.21 1j7h s LEU 115 Cb -0.04 0.84 -0.14 0.00 0.03 0.00 0.00 46.19 46.88 1j7h s LEU 115 CO 0.13 -0.72 1.22 -2.65 0.23 0.00 0.00 176.35 174.56 1j7h n PRO 116 N -0.04 1.52 -1.10 1.29 -0.02 -1.26 -0.84 135.00 134.55 1j7h n PRO 116 Ca -0.14 0.54 -0.04 0.00 -2.02 0.00 0.00 63.50 61.84 1j7h n PRO 116 Cb 0.62 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 1j7h n PRO 116 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1j7h n LYS 117 N 1.62 -0.68 -1.19 -0.52 4.81 -1.26 -2.72 118.16 118.22 1j7h n LYS 117 Ca 0.13 0.46 -0.07 0.00 -0.87 0.00 0.00 58.31 57.96 1j7h n LYS 117 Cb 0.29 -4.15 -0.03 0.00 0.02 0.00 0.00 35.03 31.16 1j7h n LYS 117 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1j7h n ASP 118 N 0.10 -5.07 -4.26 3.14 2.03 -0.02 -4.91 116.55 107.57 1j7h n ASP 118 Ca -0.04 0.16 -0.29 0.00 0.52 0.00 0.00 54.79 55.15 1j7h n ASP 118 Cb 0.23 -3.15 0.24 0.00 -0.72 0.00 0.00 41.12 37.72 1j7h n ASP 118 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1j7h n VAL 119 N -2.38 0.00 -1.11 5.18 0.24 -1.10 -4.82 118.33 114.34 1j7h n VAL 119 Ca -0.07 -0.39 0.06 0.00 -2.04 0.00 0.00 64.34 61.91 1j7h n VAL 119 Cb 0.43 -0.88 0.23 0.00 -1.47 0.00 0.00 33.84 32.15 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 1.46 4.38 3.61 7.63 0.00 -1.26 -4.09 105.19 116.93 1j7h n GLY 120 Ca 0.03 -1.10 -0.04 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.93 -0.11 0.06 0.99 1.43 -1.26 -3.15 118.68 113.72 1j7h s LEU 121 Ca 0.41 0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.42 1j7h s LEU 121 Cb 0.34 1.29 0.02 0.00 0.03 0.00 0.00 46.19 47.87 1j7h s LEU 121 CO 0.06 -0.16 0.30 -0.70 0.23 0.00 0.00 176.35 176.08 1j7h s GLU 122 N -1.92 0.85 -0.02 1.70 2.12 -0.93 -4.64 118.70 115.85 1j7h s GLU 122 Ca 0.09 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.84 1j7h s GLU 122 Cb -0.01 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.75 1j7h s GLU 122 CO -0.04 -0.28 -0.08 0.42 -0.54 0.00 0.00 175.26 174.74 1j7h s ILE 123 N -2.92 0.66 -0.28 -3.70 -1.09 -1.18 -2.94 121.20 109.75 1j7h s ILE 123 Ca -0.02 -0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 1j7h s ILE 123 Cb 0.00 -0.59 0.17 0.00 -1.58 0.00 0.00 42.46 40.46 1j7h s ILE 123 CO -0.06 0.21 0.49 -1.83 -1.23 0.00 0.00 174.94 172.52 1j7h s GLU 124 N 0.14 0.46 0.38 2.79 -1.05 -1.07 0.12 118.70 120.47 1j7h s GLU 124 Ca -0.02 0.61 0.04 0.00 -0.15 0.00 0.00 54.97 55.45 1j7h s GLU 124 Cb -0.07 -0.01 -0.04 0.00 -0.44 0.00 0.00 34.13 33.57 1j7h s GLU 124 CO 0.00 -0.77 0.10 0.00 0.95 0.00 0.00 175.26 175.54 1j7h s ALA 125 N 2.69 2.77 0.19 -0.84 0.00 -1.22 -0.94 121.76 124.40 1j7h s ALA 125 Ca 0.14 -1.46 0.08 0.00 0.00 0.00 0.00 51.96 50.72 1j7h s ALA 125 Cb -0.14 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1j7h s ALA 125 CO -0.22 -0.32 -0.16 0.42 0.00 0.00 0.00 175.76 175.48 1j7h s ILE 126 N -3.24 1.79 -0.02 0.00 1.01 -0.85 -0.63 121.20 119.27 1j7h s ILE 126 Ca 0.27 -2.08 -0.13 0.00 0.00 0.00 0.00 60.65 58.71 1j7h s ILE 126 Cb 0.05 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.59 1j7h s ILE 126 CO 0.14 -0.46 0.29 0.00 0.00 0.00 0.00 174.94 174.90 1j7h s ALA 127 N -2.53 -0.72 0.23 9.38 0.00 -1.17 -1.47 121.76 125.48 1j7h s ALA 127 Ca 0.19 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1j7h s ALA 127 Cb -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1j7h s ALA 127 CO 0.07 -0.24 0.41 0.14 0.00 0.00 0.00 175.76 176.14 1j7h s VAL 128 N -1.21 5.20 -0.37 0.00 -7.23 -0.22 0.51 120.40 117.07 1j7h s VAL 128 Ca -0.13 -0.49 0.12 0.00 -1.81 0.00 0.00 61.98 59.68 1j7h s VAL 128 Cb -0.05 -3.78 0.41 0.00 0.56 0.00 0.00 36.38 33.52 1j7h s VAL 128 CO 0.04 -0.27 1.15 -1.14 -0.31 0.00 0.00 175.10 174.57 1j7h n ARG 129 N -0.99 1.15 -0.52 4.82 0.63 0.30 -4.75 116.66 117.29 1j7h n ARG 129 Ca -0.05 -2.45 0.00 0.00 -0.92 0.00 0.00 57.85 54.42 1j7h n ARG 129 Cb 0.55 -0.68 0.00 0.00 0.45 0.00 0.00 32.46 32.78 1j7h n ARG 129 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29