#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 3.70 -0.30 0.03 1.00 -1.26 -4.88 119.30 117.59 1j7h s MET 2 Ca 0.00 -1.93 -0.17 0.00 0.00 0.00 0.00 55.69 53.59 1j7h s MET 2 Cb 0.00 -4.95 0.18 0.00 0.00 0.00 0.00 34.83 30.06 1j7h s MET 2 CO 0.00 -1.77 1.17 0.95 0.00 0.00 0.00 175.02 175.37 1j7h s THR 3 N 2.47 -0.22 -0.27 2.05 -4.23 -1.20 -4.29 115.64 109.95 1j7h s THR 3 Ca 0.35 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.78 1j7h s THR 3 Cb -0.04 -1.00 0.13 0.00 1.34 0.00 0.00 72.50 72.93 1j7h s THR 3 CO -0.08 0.00 0.58 -1.10 -0.54 0.00 0.00 174.62 173.48 1j7h s GLN 4 N 2.34 0.51 0.33 3.99 -1.52 -0.81 -4.98 119.66 119.52 1j7h s GLN 4 Ca -0.01 1.26 -0.29 0.00 -1.95 0.00 0.00 55.36 54.37 1j7h s GLN 4 Cb -0.04 0.65 -0.12 0.00 -0.22 0.00 0.00 33.01 33.28 1j7h s GLN 4 CO -0.15 -0.29 1.46 -0.89 -0.25 0.00 0.00 175.29 175.17 1j7h n ILE 5 N 5.43 1.66 -3.56 1.08 -0.00 -1.26 -1.74 119.36 120.96 1j7h n ILE 5 Ca -0.09 -0.42 -0.38 0.00 -0.00 0.00 0.00 62.75 61.87 1j7h n ILE 5 Cb 0.49 -1.83 -0.06 0.00 -0.00 0.00 0.00 39.64 38.25 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 -0.74 5.16 -0.15 1.39 1.01 0.02 -4.88 121.20 123.01 1j7h s ILE 6 Ca 0.58 0.69 -0.12 0.00 0.00 0.00 0.00 60.65 61.80 1j7h s ILE 6 Cb -0.52 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.34 1j7h s ILE 6 CO 0.58 0.55 0.39 -1.00 0.00 0.00 0.00 174.94 175.46 1j7h s HIS 7 N -0.76 -0.48 0.11 3.97 3.76 -1.26 -2.78 115.29 117.85 1j7h s HIS 7 Ca 0.21 1.11 -0.05 0.00 -0.15 0.00 0.00 55.06 56.19 1j7h s HIS 7 Cb -0.15 0.18 -0.02 0.00 1.11 0.00 0.00 32.58 33.69 1j7h s HIS 7 CO 0.10 -0.25 0.12 -0.08 -0.85 0.00 0.00 174.74 173.79 1j7h s THR 8 N 0.57 0.13 -0.38 1.30 -1.32 -1.26 -4.93 115.64 109.75 1j7h s THR 8 Ca -0.03 -1.59 0.07 0.00 -1.21 0.00 0.00 61.69 58.93 1j7h s THR 8 Cb -0.05 -1.71 0.68 0.00 -1.51 0.00 0.00 72.50 69.92 1j7h s THR 8 CO -0.03 -0.59 1.80 1.21 -2.21 0.00 0.00 174.62 174.79 1j7h n GLU 9 N -0.07 3.03 -0.01 7.08 4.07 -1.26 -4.22 120.64 129.26 1j7h n GLU 9 Ca -0.10 -2.88 -0.02 0.00 -0.06 0.00 0.00 57.16 54.10 1j7h n GLU 9 Cb 0.63 -2.15 -0.01 0.00 -0.06 0.00 0.00 31.44 29.85 1j7h n GLU 9 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1j7h n LYS 10 N -0.49 0.06 -2.92 5.31 5.02 -1.26 -4.99 118.16 118.89 1j7h n LYS 10 Ca 0.46 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 56.35 1j7h n LYS 10 Cb 1.45 -1.03 -0.05 0.00 -0.02 0.00 0.00 35.03 35.39 1j7h n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j7h s ALA 11 N -2.05 3.63 -0.89 7.82 0.00 -1.26 -4.81 121.76 124.20 1j7h s ALA 11 Ca -0.03 -0.20 0.11 0.00 0.00 0.00 0.00 51.96 51.84 1j7h s ALA 11 Cb 0.01 -3.26 0.50 0.00 0.00 0.00 0.00 23.12 20.36 1j7h s ALA 11 CO 0.06 -0.95 1.35 -2.30 0.00 0.00 0.00 175.76 173.92 1j7h n PRO 12 N 6.00 0.03 -0.63 0.00 -0.02 -1.26 -4.81 135.00 134.32 1j7h n PRO 12 Ca 0.05 0.38 -0.29 0.00 -2.02 0.00 0.00 63.50 61.61 1j7h n PRO 12 Cb 0.48 -1.57 0.17 0.00 -0.02 0.00 0.00 33.50 32.55 1j7h n PRO 12 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j7h n ALA 13 N -1.55 -3.51 -1.67 3.55 0.00 -1.26 -4.77 120.51 111.30 1j7h n ALA 13 Ca 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.18 1j7h n ALA 13 Cb 0.11 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -4.47 -2.14 0.00 0.00 0.00 -1.26 -4.88 120.51 107.77 1j7h n ALA 14 Ca 0.02 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1j7h n ALA 14 Cb 0.57 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1j7h n ALA 14 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1j7h n ILE 15 N 0.37 0.00 -0.23 0.00 3.06 -1.26 -5.00 119.36 116.30 1j7h n ILE 15 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1j7h n ILE 15 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1j7h n ILE 15 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1j7h n GLY 16 N -0.33 1.35 2.33 4.50 0.00 -1.26 -4.90 105.19 106.88 1j7h n GLY 16 Ca 0.00 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.07 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 3.65 -3.24 1.61 -0.04 -1.26 -4.85 135.00 130.88 1j7h n PRO 17 Ca 0.00 -2.41 -0.02 0.00 -0.04 0.00 0.00 63.50 61.02 1j7h n PRO 17 Cb 0.00 -2.60 0.02 0.00 -0.04 0.00 0.00 33.50 30.88 1j7h n PRO 17 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1j7h n TYR 18 N 2.71 -1.16 -4.08 0.54 4.11 -1.26 -5.19 117.16 112.83 1j7h n TYR 18 Ca 0.67 -0.95 -0.24 0.00 -0.00 0.00 0.00 57.90 57.38 1j7h n TYR 18 Cb 0.35 0.46 -0.02 0.00 -0.00 0.00 0.00 39.34 40.13 1j7h n TYR 18 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 1j7h n VAL 19 N -0.54 0.00 -0.07 -3.48 0.24 -1.26 -4.48 118.33 108.74 1j7h n VAL 19 Ca -0.02 -1.96 -0.13 0.00 -2.04 0.00 0.00 64.34 60.19 1j7h n VAL 19 Cb 0.43 0.06 -0.12 0.00 -1.47 0.00 0.00 33.84 32.75 1j7h n VAL 19 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1j7h h GLN 20 N 0.00 0.00 -3.29 7.34 4.20 -1.90 -3.41 115.11 118.05 1j7h h GLN 20 Ca -0.32 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.29 1j7h h GLN 20 Cb 1.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 1j7h h GLN 20 CO 0.52 0.91 0.16 0.00 -0.67 0.00 0.00 178.83 179.75 1j7h s ALA 21 N -2.25 -0.30 0.02 3.87 0.00 -1.12 -2.41 121.76 119.57 1j7h s ALA 21 Ca -0.17 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1j7h s ALA 21 Cb -0.03 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1j7h s ALA 21 CO 0.62 -0.93 -0.03 0.14 0.00 0.00 0.00 175.76 175.56 1j7h s VAL 22 N -2.32 0.13 -0.42 0.00 -7.23 -1.16 -0.80 120.40 108.59 1j7h s VAL 22 Ca 0.20 -0.68 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 1j7h s VAL 22 Cb -0.04 -0.23 0.12 0.00 0.56 0.00 0.00 36.38 36.79 1j7h s VAL 22 CO 0.14 -0.35 0.17 -0.62 -0.31 0.00 0.00 175.10 174.13 1j7h s ASP 23 N -1.08 4.30 0.41 4.85 -1.08 -0.71 -2.15 116.67 121.20 1j7h s ASP 23 Ca -0.11 -2.51 0.29 0.00 -0.52 0.00 0.00 52.55 49.70 1j7h s ASP 23 Cb -0.07 -1.43 1.19 0.00 -1.46 0.00 0.00 42.92 41.15 1j7h s ASP 23 CO -0.01 -0.31 1.86 -0.07 0.52 0.00 0.00 175.17 177.16 1j7h h LEU 24 N 7.08 0.00 0.00 -1.34 3.38 -1.74 -2.14 115.31 120.55 1j7h h LEU 24 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1j7h h LEU 24 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1j7h h LEU 24 CO 0.57 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.71 1j7h n GLY 25 N 0.00 1.38 0.43 0.83 0.00 -1.26 -4.09 105.19 102.48 1j7h n GLY 25 Ca 0.01 -0.87 0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.64 1.61 2.35 -1.94 -3.40 115.58 110.55 1j7h h ASN 26 Ca 0.00 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.42 1j7h h ASN 26 Cb 0.00 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 38.05 1j7h h ASN 26 CO 0.00 0.00 -0.75 -1.48 -1.65 0.00 0.00 177.43 173.55 1j7h s LEU 27 N -8.62 1.54 0.45 1.61 2.34 -1.26 0.11 118.68 114.84 1j7h s LEU 27 Ca -0.05 -0.05 0.06 0.00 0.06 0.00 0.00 54.13 54.15 1j7h s LEU 27 Cb 0.21 -0.23 -0.03 0.00 -0.56 0.00 0.00 46.19 45.58 1j7h s LEU 27 CO 0.75 -0.03 0.22 0.68 -1.06 0.00 0.00 176.35 176.91 1j7h s VAL 28 N 0.54 2.11 0.16 1.48 -7.23 0.28 -2.82 120.40 114.92 1j7h s VAL 28 Ca -0.05 -1.65 -0.07 0.00 -1.81 0.00 0.00 61.98 58.39 1j7h s VAL 28 Cb -0.09 -2.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 1j7h s VAL 28 CO -0.01 0.00 0.23 -0.76 -0.31 0.00 0.00 175.10 174.26 1j7h s LEU 29 N -3.99 1.12 -0.03 1.32 1.02 -0.91 -0.65 118.68 116.56 1j7h s LEU 29 Ca 0.37 -0.97 0.03 0.00 0.02 0.00 0.00 54.13 53.58 1j7h s LEU 29 Cb 0.02 0.98 0.00 0.00 0.02 0.00 0.00 46.19 47.20 1j7h s LEU 29 CO 0.21 -0.86 -0.12 0.42 0.02 0.00 0.00 176.35 176.02 1j7h s THR 30 N -4.00 1.00 0.65 5.49 -4.23 -0.55 -3.01 115.64 110.99 1j7h s THR 30 Ca 0.20 -0.49 -0.15 0.00 -1.18 0.00 0.00 61.69 60.07 1j7h s THR 30 Cb 0.04 -0.87 -0.00 0.00 1.34 0.00 0.00 72.50 73.01 1j7h s THR 30 CO 0.01 0.30 1.12 -0.44 -0.54 0.00 0.00 174.62 175.07 1j7h s SER 31 N 0.11 5.09 -0.75 3.99 0.01 -1.01 -4.02 113.70 117.12 1j7h s SER 31 Ca -0.03 2.04 -0.24 0.00 1.31 0.00 0.00 55.95 59.03 1j7h s SER 31 Cb -0.09 -2.56 -0.16 0.00 0.21 0.00 0.00 66.02 63.43 1j7h s SER 31 CO 0.01 -1.64 2.40 0.61 0.41 0.00 0.00 173.24 175.03 1j7h n GLY 32 N -0.40 -0.14 3.58 3.44 0.00 -1.26 -4.67 105.19 105.74 1j7h n GLY 32 Ca 0.11 0.44 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 1j7h n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j7h s GLN 33 N 8.48 -0.80 0.00 1.61 1.11 0.36 -4.76 119.66 125.66 1j7h s GLN 33 Ca 1.04 0.29 -0.28 0.00 0.01 0.00 0.00 55.36 56.42 1j7h s GLN 33 Cb -0.35 -1.61 0.07 0.00 -1.01 0.00 0.00 33.01 30.11 1j7h s GLN 33 CO 0.24 -3.50 0.64 0.96 0.01 0.00 0.00 175.29 173.64 1j7h s ILE 34 N -2.83 0.00 -0.87 1.08 -4.36 -1.26 -1.75 121.20 111.21 1j7h s ILE 34 Ca 0.68 -0.04 -0.24 0.00 -0.26 0.00 0.00 60.65 60.80 1j7h s ILE 34 Cb -0.16 -0.99 -0.16 0.00 1.25 0.00 0.00 42.46 42.40 1j7h s ILE 34 CO 0.58 -0.02 1.91 -0.81 0.24 0.00 0.00 174.94 176.84 1j7h n PRO 35 N 0.60 1.25 -2.98 0.37 -0.04 -1.26 -4.85 135.00 128.09 1j7h n PRO 35 Ca -0.19 -1.98 -0.44 0.00 -0.04 0.00 0.00 63.50 60.85 1j7h n PRO 35 Cb 0.59 -3.28 -0.02 0.00 -0.04 0.00 0.00 33.50 30.75 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 8.69 4.91 -0.03 0.52 1.01 -1.26 -1.29 120.40 132.94 1j7h s VAL 36 Ca 0.65 -1.89 -0.33 0.00 0.00 0.00 0.00 61.98 60.41 1j7h s VAL 36 Cb 0.07 -4.76 -0.16 0.00 0.00 0.00 0.00 36.38 31.53 1j7h s VAL 36 CO 0.16 -1.46 0.90 0.59 0.00 0.00 0.00 175.10 175.29 1j7h n ASN 37 N 6.02 0.07 0.00 3.32 4.13 -1.26 -4.49 115.26 123.05 1j7h n ASN 37 Ca 0.25 0.94 0.09 0.00 1.68 0.00 0.00 54.58 57.54 1j7h n ASN 37 Cb 0.48 -0.74 0.42 0.00 -1.54 0.00 0.00 39.78 38.39 1j7h n ASN 37 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1j7h n PRO 38 N 1.38 0.13 -0.02 3.52 -0.04 -1.26 0.18 135.00 138.89 1j7h n PRO 38 Ca 0.17 0.16 0.04 0.00 -0.04 0.00 0.00 63.50 63.82 1j7h n PRO 38 Cb 0.06 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.91 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 -1.40 2.31 0.00 0.55 0.00 -1.26 -4.81 120.51 115.90 1j7h n ALA 39 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1j7h n ALA 39 Cb 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -2.12 0.00 -1.18 0.00 5.66 -1.11 -5.09 114.28 110.45 1j7h n THR 40 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1j7h n THR 40 Cb 0.51 -0.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.09 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 2.15 0.78 1.76 1.09 0.00 0.48 -4.90 105.19 106.54 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 1.18 0.00 0.00 0.00 173.32 174.50 1j7h n GLU 42 N -0.96 0.00 0.00 1.61 -0.58 -1.26 -4.64 120.64 114.81 1j7h n GLU 42 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1j7h n GLU 42 Cb 0.36 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.23 1j7h n GLU 42 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1j7h n VAL 43 N -2.32 0.00 -1.69 2.62 3.14 -0.41 -4.06 118.33 115.61 1j7h n VAL 43 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 1j7h n VAL 43 Cb 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1j7h n VAL 43 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1j7h n PRO 44 N 0.00 2.03 0.18 1.45 -0.02 -1.26 -4.88 135.00 132.50 1j7h n PRO 44 Ca 0.00 0.72 0.05 0.00 -2.02 0.00 0.00 63.50 62.24 1j7h n PRO 44 Cb 0.00 -2.31 0.49 0.00 -0.02 0.00 0.00 33.50 31.66 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 2.40 1.71 -1.18 3.55 0.00 -2.00 -3.38 119.26 120.36 1j7h h ALA 45 Ca -0.46 -0.13 -0.50 0.00 0.00 0.00 0.00 54.91 53.82 1j7h h ALA 45 Cb 1.29 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 1j7h h ALA 45 CO 0.62 0.22 1.18 -0.51 0.00 0.00 0.00 179.25 180.76 1j7h s ASP 46 N -6.95 5.86 0.53 0.00 1.11 -1.26 -4.83 116.67 111.14 1j7h s ASP 46 Ca -0.05 -0.63 0.40 0.00 0.18 0.00 0.00 52.55 52.45 1j7h s ASP 46 Cb 0.16 -2.56 1.59 0.00 1.07 0.00 0.00 42.92 43.18 1j7h s ASP 46 CO 0.71 -2.04 1.70 -0.29 1.18 0.00 0.00 175.17 176.42 1j7h h ILE 47 N 6.69 0.23 0.20 0.77 6.09 -1.98 0.97 117.51 130.48 1j7h h ILE 47 Ca -0.05 -0.01 -0.32 0.00 -1.37 0.00 0.00 64.86 63.10 1j7h h ILE 47 Cb 1.05 0.20 0.02 0.00 0.47 0.00 0.00 36.82 38.56 1j7h h ILE 47 CO 1.30 0.01 -1.47 0.58 -3.07 0.00 0.00 178.15 175.49 1j7h h VAL 48 N 0.03 1.27 -0.42 2.19 2.07 -1.93 -2.14 116.25 117.32 1j7h h VAL 48 Ca 0.74 -2.77 -0.15 0.00 0.82 0.00 0.00 66.70 65.33 1j7h h VAL 48 Cb 2.84 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 35.55 1j7h h VAL 48 CO -0.07 0.84 -0.33 0.00 0.02 0.00 0.00 177.57 178.03 1j7h h ALA 49 N 0.29 0.61 0.00 1.67 0.00 0.34 -0.68 119.26 121.48 1j7h h ALA 49 Ca -0.24 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 1j7h h ALA 49 Cb 2.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1j7h h ALA 49 CO 0.23 0.68 -0.14 -0.56 0.00 0.00 0.00 179.25 179.46 1j7h h GLN 50 N 0.80 0.00 0.19 0.00 3.07 -0.31 -2.03 115.11 116.84 1j7h h GLN 50 Ca 0.08 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.54 1j7h h GLN 50 Cb 0.92 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.51 1j7h h GLN 50 CO 0.09 0.14 -1.22 0.00 0.09 0.00 0.00 178.83 177.93 1j7h h ALA 51 N 1.86 -0.11 -0.05 0.06 0.00 -1.07 -2.33 119.26 117.62 1j7h h ALA 51 Ca -0.00 -0.79 -0.19 0.00 0.00 0.00 0.00 54.91 53.93 1j7h h ALA 51 Cb 0.88 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1j7h h ALA 51 CO 0.02 0.58 -0.78 0.07 0.00 0.00 0.00 179.25 179.14 1j7h h ARG 52 N 0.01 0.34 -0.03 0.00 0.11 -1.13 -3.02 114.38 110.66 1j7h h ARG 52 Ca -0.21 -0.31 -0.15 0.00 0.10 0.00 0.00 59.98 59.41 1j7h h ARG 52 Cb 1.95 0.07 -0.02 0.00 1.11 0.00 0.00 29.97 33.09 1j7h h ARG 52 CO 0.23 0.97 -0.67 1.96 0.10 0.00 0.00 179.97 182.56 1j7h h GLN 53 N 0.22 0.13 -0.04 0.08 1.08 -1.47 -2.68 115.11 112.43 1j7h h GLN 53 Ca -0.04 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 56.98 1j7h h GLN 53 Cb 1.37 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.81 1j7h h GLN 53 CO 0.13 0.75 -0.35 0.66 -0.95 0.00 0.00 178.83 179.08 1j7h h SER 54 N 0.09 0.08 0.92 1.46 4.64 -1.37 -2.68 113.55 116.69 1j7h h SER 54 Ca -0.01 -0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.07 1j7h h SER 54 Cb 1.20 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 1j7h h SER 54 CO 0.10 0.43 -1.00 -0.07 -0.87 0.00 0.00 176.83 175.41 1j7h h LEU 55 N 0.07 0.06 0.50 5.97 3.38 -1.40 -3.14 115.31 120.75 1j7h h LEU 55 Ca 0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1j7h h LEU 55 Cb 0.65 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1j7h h LEU 55 CO 0.05 1.02 -0.24 -0.33 0.09 0.00 0.00 178.44 179.03 1j7h h GLU 56 N 0.01 -0.64 -0.61 1.13 4.39 -1.16 -1.94 114.58 115.76 1j7h h GLU 56 Ca -0.03 0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.79 1j7h h GLU 56 Cb 1.74 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 30.48 1j7h h GLU 56 CO 0.14 -0.36 0.30 -2.95 -1.16 0.00 0.00 179.01 174.98 1j7h h ASN 57 N -0.84 0.40 -0.17 1.42 -1.07 -1.62 0.10 115.58 113.79 1j7h h ASN 57 Ca -0.07 0.05 0.02 0.00 0.07 0.00 0.00 56.30 56.37 1j7h h ASN 57 Cb 0.58 -0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 36.80 1j7h h ASN 57 CO 0.11 0.25 0.12 0.58 0.07 0.00 0.00 177.43 178.56 1j7h h VAL 58 N 0.54 0.99 0.18 6.14 2.07 -1.50 -1.72 116.25 122.94 1j7h h VAL 58 Ca 0.29 -0.05 -0.31 0.00 0.82 0.00 0.00 66.70 67.45 1j7h h VAL 58 Cb 0.25 0.84 0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1j7h h VAL 58 CO -0.22 0.02 -1.33 0.50 0.02 0.00 0.00 177.57 176.56 1j7h h LYS 59 N 0.13 0.49 -0.70 1.57 3.64 -0.22 -3.10 116.57 118.39 1j7h h LYS 59 Ca 0.07 -0.76 -0.01 0.00 -1.27 0.00 0.00 60.65 58.68 1j7h h LYS 59 Cb 0.12 0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1j7h h LYS 59 CO -0.01 1.35 0.41 0.00 -2.27 0.00 0.00 179.45 178.94 1j7h h ALA 60 N 0.33 1.42 0.08 5.00 0.00 -0.05 0.18 119.26 126.22 1j7h h ALA 60 Ca -0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1j7h h ALA 60 Cb 2.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1j7h h ALA 60 CO 0.24 0.50 -0.04 0.82 0.00 0.00 0.00 179.25 180.77 1j7h h ILE 61 N 0.96 1.12 -0.21 0.00 2.04 -1.42 0.20 117.51 120.20 1j7h h ILE 61 Ca 0.25 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1j7h h ILE 61 Cb -0.03 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1j7h h ILE 61 CO -0.05 0.19 -0.03 0.40 0.00 0.00 0.00 178.15 178.66 1j7h h ILE 62 N -0.46 1.15 -0.13 -0.67 2.04 -1.42 -2.26 117.51 115.75 1j7h h ILE 62 Ca -0.01 -0.62 -0.21 0.00 1.00 0.00 0.00 64.86 65.01 1j7h h ILE 62 Cb 0.39 1.03 0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1j7h h ILE 62 CO 0.02 0.21 -0.75 -0.08 0.00 0.00 0.00 178.15 177.54 1j7h h GLU 63 N 0.31 0.74 0.00 2.37 4.81 -0.52 -0.33 114.58 121.96 1j7h h GLU 63 Ca 0.07 -0.62 -0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1j7h h GLU 63 Cb 0.27 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1j7h h GLU 63 CO 0.01 1.23 -0.01 -0.22 -0.73 0.00 0.00 179.01 179.29 1j7h h LYS 64 N 0.45 0.00 0.00 1.92 1.63 -0.13 -1.09 116.57 119.36 1j7h h LYS 64 Ca -0.06 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.58 1j7h h LYS 64 Cb 1.39 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.99 1j7h h LYS 64 CO 0.15 0.01 -1.39 0.00 -3.45 0.00 0.00 179.45 174.78 1j7h h ALA 65 N 1.99 0.65 0.00 5.00 0.00 -1.24 -3.48 119.26 122.18 1j7h h ALA 65 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1j7h h ALA 65 Cb 0.14 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1j7h h ALA 65 CO 0.00 0.90 0.00 0.41 0.00 0.00 0.00 179.25 180.56 1j7h n GLY 66 N 1.39 0.90 0.60 0.00 0.00 -0.41 -5.11 105.19 102.56 1j7h n GLY 66 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.99 4.77 -0.18 -4.99 117.00 117.59 1j7h n LEU 67 Ca 0.00 -0.44 -0.18 0.00 -0.03 0.00 0.00 56.01 55.36 1j7h n LEU 67 Cb 0.00 0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 1j7h n LEU 67 CO 0.00 -0.13 -0.01 0.35 -1.33 0.00 0.00 177.39 176.27 1j7h n THR 68 N -0.09 0.00 0.15 -5.08 -2.24 -1.26 -3.44 114.28 102.33 1j7h n THR 68 Ca -0.01 -2.19 0.04 0.00 -2.27 0.00 0.00 64.05 59.61 1j7h n THR 68 Cb 0.10 1.16 0.09 0.00 -2.10 0.00 0.00 70.33 69.58 1j7h n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j7h h ALA 69 N 2.05 0.74 -0.67 6.98 0.00 -1.94 -3.23 119.26 123.19 1j7h h ALA 69 Ca -0.24 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.26 1j7h h ALA 69 Cb 1.18 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1j7h h ALA 69 CO 0.35 0.57 0.44 0.00 0.00 0.00 0.00 179.25 180.61 1j7h h ALA 70 N 1.54 1.54 0.00 0.00 0.00 -1.89 -1.26 119.26 119.20 1j7h h ALA 70 Ca -0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1j7h h ALA 70 Cb 1.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1j7h h ALA 70 CO 0.06 0.42 -0.36 0.38 0.00 0.00 0.00 179.25 179.75 1j7h h ASP 71 N 0.89 0.00 -1.12 0.00 3.04 -1.88 -3.44 116.42 113.91 1j7h h ASP 71 Ca 0.25 0.00 -0.74 0.00 -3.24 0.00 0.00 57.03 53.30 1j7h h ASP 71 Cb -0.08 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.21 1j7h h ASP 71 CO -0.06 0.36 1.09 -0.38 -2.04 0.00 0.00 179.24 178.22 1j7h n ILE 72 N -3.61 0.20 0.02 4.15 5.41 -0.48 -3.30 119.36 121.75 1j7h n ILE 72 Ca -0.01 -0.10 -0.01 0.00 1.00 0.00 0.00 62.75 63.64 1j7h n ILE 72 Cb 0.48 -1.15 -0.09 0.00 -0.71 0.00 0.00 39.64 38.16 1j7h n ILE 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1j7h n VAL 73 N 5.56 1.17 -4.18 1.39 0.24 -0.69 -4.08 118.33 117.76 1j7h n VAL 73 Ca 0.36 -0.70 -0.11 0.00 -2.04 0.00 0.00 64.34 61.85 1j7h n VAL 73 Cb 0.11 -0.70 -0.10 0.00 -1.47 0.00 0.00 33.84 31.68 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 -2.91 0.96 -0.29 7.34 2.20 -1.20 0.58 119.74 126.44 1j7h s LYS 74 Ca -0.04 -1.45 -0.15 0.00 -0.36 0.00 0.00 55.97 53.97 1j7h s LYS 74 Cb 0.09 0.04 0.12 0.00 -1.51 0.00 0.00 37.83 36.57 1j7h s LYS 74 CO 0.82 -0.20 0.79 0.99 -0.36 0.00 0.00 175.35 177.39 1j7h s THR 75 N -3.89 -0.28 0.01 3.43 2.01 0.19 -1.86 115.64 115.25 1j7h s THR 75 Ca 0.22 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1j7h s THR 75 Cb 0.07 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 1j7h s THR 75 CO 0.01 0.00 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.03 1j7h s THR 76 N 1.94 3.93 -0.20 -0.82 2.01 0.38 -2.19 115.64 120.69 1j7h s THR 76 Ca -0.08 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 1j7h s THR 76 Cb -0.06 -2.74 0.08 0.00 0.01 0.00 0.00 72.50 69.79 1j7h s THR 76 CO -0.18 0.37 0.15 -0.69 -0.69 0.00 0.00 174.62 173.58 1j7h s VAL 77 N -1.06 -0.18 -0.49 3.82 1.01 -1.19 -1.38 120.40 120.92 1j7h s VAL 77 Ca 0.19 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 1j7h s VAL 77 Cb -0.11 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.64 1j7h s VAL 77 CO 0.09 -0.31 0.71 -0.36 0.00 0.00 0.00 175.10 175.23 1j7h s PHE 78 N 2.21 2.99 0.07 5.22 0.08 -1.07 -2.58 117.98 124.90 1j7h s PHE 78 Ca 0.05 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 56.86 1j7h s PHE 78 Cb -0.16 -3.61 -0.04 0.00 -0.57 0.00 0.00 43.02 38.65 1j7h s PHE 78 CO -0.14 -1.05 0.16 0.14 -0.10 0.00 0.00 175.22 174.22 1j7h s VAL 79 N 3.01 5.04 -1.62 -0.44 -7.23 -1.11 -1.41 120.40 116.63 1j7h s VAL 79 Ca 0.21 -0.54 0.25 0.00 -1.81 0.00 0.00 61.98 60.10 1j7h s VAL 79 Cb -0.16 -3.45 0.14 0.00 0.56 0.00 0.00 36.38 33.47 1j7h s VAL 79 CO 0.16 0.14 1.40 0.29 -0.31 0.00 0.00 175.10 176.78 1j7h n LYS 80 N 0.37 0.71 -3.33 4.82 5.02 -1.00 -0.07 118.16 124.67 1j7h n LYS 80 Ca -0.07 -0.47 -0.03 0.00 -2.02 0.00 0.00 58.31 55.72 1j7h n LYS 80 Cb 0.51 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.98 1j7h n LYS 80 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1j7h s ASP 81 N -2.62 -0.56 0.34 4.39 1.01 -1.26 -4.87 116.67 113.10 1j7h s ASP 81 Ca 0.20 0.68 0.23 0.00 0.71 0.00 0.00 52.55 54.37 1j7h s ASP 81 Cb 0.18 1.65 1.24 0.00 1.01 0.00 0.00 42.92 47.00 1j7h s ASP 81 CO 0.59 -0.27 1.72 -0.07 0.21 0.00 0.00 175.17 177.34 1j7h h LEU 82 N 8.10 0.00 -0.24 1.23 3.38 -1.98 0.01 115.31 125.81 1j7h h LEU 82 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1j7h h LEU 82 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1j7h h LEU 82 CO 0.24 0.00 0.00 0.78 0.09 0.00 0.00 178.44 179.55 1j7h h ASN 83 N 0.00 0.00 -0.29 -0.43 2.35 -2.00 -3.05 115.58 112.16 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 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1j7h h ASN 83 CO 0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 1j7h n ASP 84 N -3.01 1.98 0.08 5.81 8.00 -0.01 -3.91 116.55 125.49 1j7h n ASP 84 Ca 0.04 -1.87 -0.02 0.00 0.71 0.00 0.00 54.79 53.64 1j7h n ASP 84 Cb 0.48 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 1j7h n ASP 84 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1j7h h PHE 85 N 2.38 0.00 -0.71 1.24 3.57 -1.63 -3.14 116.94 118.64 1j7h h PHE 85 Ca 0.00 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1j7h h PHE 85 Cb 0.53 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1j7h h PHE 85 CO 0.19 0.75 0.47 0.00 -2.23 0.00 0.00 178.31 177.48 1j7h h ALA 86 N 1.25 1.56 0.16 2.41 0.00 -1.78 0.93 119.26 123.79 1j7h h ALA 86 Ca -0.05 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.52 1j7h h ALA 86 Cb 1.61 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1j7h h ALA 86 CO 0.09 0.38 -1.40 0.00 0.00 0.00 0.00 179.25 178.32 1j7h h ALA 87 N 1.58 0.08 -0.00 0.00 0.00 -1.83 -3.14 119.26 115.95 1j7h h ALA 87 Ca 0.27 -0.95 -0.17 0.00 0.00 0.00 0.00 54.91 54.06 1j7h h ALA 87 Cb -0.00 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1j7h h ALA 87 CO -0.07 0.95 -0.79 0.28 0.00 0.00 0.00 179.25 179.62 1j7h h VAL 88 N 0.09 1.55 -0.06 0.00 2.07 -1.40 -2.57 116.25 115.92 1j7h h VAL 88 Ca -0.20 -2.65 -0.01 0.00 0.82 0.00 0.00 66.70 64.65 1j7h h VAL 88 Cb 2.04 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 34.24 1j7h h VAL 88 CO 0.21 0.76 -0.01 0.78 0.02 0.00 0.00 177.57 179.33 1j7h h ASN 89 N 0.02 0.12 -0.55 0.57 -0.26 0.80 0.22 115.58 116.50 1j7h h ASN 89 Ca -0.01 -0.36 -0.09 0.00 -0.56 0.00 0.00 56.30 55.28 1j7h h ASN 89 Cb 1.40 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 38.60 1j7h h ASN 89 CO 0.11 0.45 -0.01 0.00 -1.06 0.00 0.00 177.43 176.92 1j7h h ALA 90 N 0.67 0.90 0.00 -0.83 0.00 -1.61 -0.98 119.26 117.41 1j7h h ALA 90 Ca 0.02 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1j7h h ALA 90 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1j7h h ALA 90 CO 0.01 0.65 -0.31 0.93 0.00 0.00 0.00 179.25 180.52 1j7h h GLU 91 N 0.92 0.00 0.08 0.00 3.07 -1.44 -0.58 114.58 116.63 1j7h h GLU 91 Ca 0.17 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.76 1j7h h GLU 91 Cb 0.54 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1j7h h GLU 91 CO 0.03 0.31 -1.27 -0.92 -1.40 0.00 0.00 179.01 175.76 1j7h h TYR 92 N 0.00 0.30 0.00 4.33 5.03 -0.23 -3.14 116.97 123.26 1j7h h TYR 92 Ca -0.00 -0.22 -0.28 0.00 2.58 0.00 0.00 58.73 60.81 1j7h h TYR 92 Cb 1.04 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 39.25 1j7h h TYR 92 CO 0.00 1.20 -1.65 1.49 -1.32 0.00 0.00 178.16 177.88 1j7h h GLU 93 N 0.05 0.00 0.00 1.82 4.81 -1.19 -3.15 114.58 116.92 1j7h h GLU 93 Ca -0.13 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1j7h h GLU 93 Cb 1.92 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.30 1j7h h GLU 93 CO 0.16 0.51 -0.13 0.07 -0.73 0.00 0.00 179.01 178.89 1j7h h ARG 94 N 0.00 0.00 0.03 1.92 -0.00 -1.23 -3.13 114.38 111.97 1j7h h ARG 94 Ca -0.26 0.00 -0.33 0.00 -0.00 0.00 0.00 59.98 59.39 1j7h h ARG 94 Cb 1.98 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 31.90 1j7h h ARG 94 CO 0.08 0.13 -1.91 1.97 -0.00 0.00 0.00 179.97 180.23 1j7h n PHE 95 N -3.18 0.89 0.45 4.08 1.16 -1.18 -3.19 117.46 116.48 1j7h n PHE 95 Ca 0.02 0.27 -0.20 0.00 -1.87 0.00 0.00 57.45 55.68 1j7h n PHE 95 Cb 0.49 -1.15 -0.10 0.00 -1.61 0.00 0.00 39.48 37.11 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 -1.19 -0.13 2.97 -1.00 -1.57 0.21 116.94 116.25 1j7h h PHE 96 Ca -0.37 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.36 1j7h h PHE 96 Cb 2.04 0.41 -0.01 0.00 3.61 0.00 0.00 35.95 42.01 1j7h h PHE 96 CO 0.02 -0.70 -0.03 -0.22 -1.61 0.00 0.00 178.31 175.77 1j7h h LYS 97 N -1.19 0.19 0.00 1.51 3.11 -1.71 1.18 116.57 119.66 1j7h h LYS 97 Ca -0.11 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 1j7h h LYS 97 Cb 0.93 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 1j7h h LYS 97 CO 0.15 0.24 0.00 -1.91 -2.81 0.00 0.00 179.45 175.12 1j7h n GLU 98 N -4.39 0.07 0.00 1.90 2.13 -0.94 -2.36 120.64 117.05 1j7h n GLU 98 Ca -0.01 0.20 0.05 0.00 0.66 0.00 0.00 57.16 58.06 1j7h n GLU 98 Cb 0.18 -1.61 -0.02 0.00 0.27 0.00 0.00 31.44 30.26 1j7h n GLU 98 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1j7h n ASN 99 N -1.74 0.96 -0.14 4.31 4.13 0.68 -4.98 115.26 118.48 1j7h n ASN 99 Ca 0.05 -0.98 0.00 0.00 1.68 0.00 0.00 54.58 55.33 1j7h n ASN 99 Cb 0.27 0.65 0.00 0.00 -1.54 0.00 0.00 39.78 39.16 1j7h n ASN 99 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1j7h n ASN 100 N -0.59 -0.77 -2.76 6.41 2.85 0.70 -4.85 115.26 116.24 1j7h n ASN 100 Ca 0.03 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.20 1j7h n ASN 100 Cb 0.19 -0.25 -0.00 0.00 1.24 0.00 0.00 39.78 40.96 1j7h n ASN 100 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1j7h n HIS 101 N -1.78 3.47 0.52 1.20 -0.00 0.38 -4.61 115.22 114.40 1j7h n HIS 101 Ca 0.00 -3.18 0.12 0.00 -0.00 0.00 0.00 57.72 54.67 1j7h n HIS 101 Cb 0.25 -0.45 0.45 0.00 -0.00 0.00 0.00 29.99 30.24 1j7h n HIS 101 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1j7h n PRO 102 N -0.40 0.22 -0.22 -0.41 -0.04 -1.26 -3.45 135.00 129.44 1j7h n PRO 102 Ca 0.40 0.32 0.22 0.00 -0.04 0.00 0.00 63.50 64.40 1j7h n PRO 102 Cb 0.49 -1.83 0.58 0.00 -0.04 0.00 0.00 33.50 32.71 1j7h n PRO 102 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1j7h h ASN 103 N 0.00 0.27 -4.90 3.54 -1.24 -1.86 -3.47 115.58 107.91 1j7h h ASN 103 Ca 0.00 0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.05 1j7h h ASN 103 Cb 0.53 -0.02 -0.08 0.00 0.73 0.00 0.00 38.32 39.48 1j7h h ASN 103 CO 0.00 0.10 -1.31 0.49 -1.29 0.00 0.00 177.43 175.42 1j7h n PHE 104 N -4.44 -4.07 -1.56 0.67 3.72 -1.22 -4.98 117.46 105.58 1j7h n PHE 104 Ca 0.19 2.18 -0.31 0.00 -0.05 0.00 0.00 57.45 59.46 1j7h n PHE 104 Cb 0.78 -3.81 0.06 0.00 -0.94 0.00 0.00 39.48 35.57 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 -0.99 2.81 0.55 -1.08 0.04 -1.26 -4.97 135.00 130.11 1j7h s PRO 105 Ca -0.18 1.06 -0.20 0.00 0.04 0.00 0.00 61.00 61.72 1j7h s PRO 105 Cb 0.01 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 1j7h s PRO 105 CO 0.74 -1.21 1.06 0.00 0.04 0.00 0.00 177.00 177.64 1j7h n ALA 106 N -3.06 0.50 -2.51 8.56 0.00 0.20 -4.61 120.51 119.59 1j7h n ALA 106 Ca 0.08 0.08 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 1j7h n ALA 106 Cb 0.53 -2.16 -0.12 0.00 0.00 0.00 0.00 19.45 17.70 1j7h n ALA 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1j7h s ARG 107 N -2.64 2.41 -0.42 0.00 6.06 -1.26 0.55 118.95 123.65 1j7h s ARG 107 Ca 0.72 -0.77 0.09 0.00 -2.50 0.00 0.00 55.73 53.27 1j7h s ARG 107 Cb -0.44 -2.37 0.31 0.00 0.06 0.00 0.00 34.95 32.51 1j7h s ARG 107 CO 0.49 0.60 0.85 0.45 -2.50 0.00 0.00 175.30 175.19 1j7h n SER 108 N 1.89 -0.87 -4.87 -2.12 2.88 -0.93 -4.97 113.62 104.64 1j7h n SER 108 Ca -0.16 -3.24 -0.34 0.00 -1.33 0.00 0.00 58.87 53.79 1j7h n SER 108 Cb 0.52 0.59 -0.05 0.00 -0.75 0.00 0.00 64.21 64.52 1j7h n SER 108 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j7h s VAL 110 N -1.40 -0.01 -0.80 0.00 -7.23 -1.06 -4.95 120.40 104.94 1j7h s VAL 110 Ca 0.33 0.03 -0.25 0.00 -1.81 0.00 0.00 61.98 60.28 1j7h s VAL 110 Cb -0.14 -0.68 -0.09 0.00 0.56 0.00 0.00 36.38 36.04 1j7h s VAL 110 CO 0.18 0.01 2.18 -0.70 -0.31 0.00 0.00 175.10 176.47 1j7h s GLU 111 N 0.80 2.10 0.77 4.82 -6.30 -1.26 -2.77 118.70 116.86 1j7h s GLU 111 Ca -0.04 0.26 -0.11 0.00 -2.50 0.00 0.00 54.97 52.58 1j7h s GLU 111 Cb -0.05 -4.85 0.05 0.00 0.00 0.00 0.00 34.13 29.28 1j7h s GLU 111 CO -0.06 -3.80 1.09 0.14 0.02 0.00 0.00 175.26 172.66 1j7h s VAL 112 N 12.27 3.23 -0.09 3.70 -7.23 0.90 -4.96 120.40 128.22 1j7h s VAL 112 Ca 0.82 0.40 -0.19 0.00 -1.81 0.00 0.00 61.98 61.20 1j7h s VAL 112 Cb -0.11 -3.21 -0.28 0.00 0.56 0.00 0.00 36.38 33.34 1j7h s VAL 112 CO 0.07 -0.52 0.67 0.00 -0.31 0.00 0.00 175.10 175.01 1j7h h ALA 113 N -0.96 0.07 -2.82 1.32 0.00 -1.92 -3.40 119.26 111.55 1j7h h ALA 113 Ca -0.46 -0.91 -0.03 0.00 0.00 0.00 0.00 54.91 53.50 1j7h h ALA 113 Cb 1.26 0.32 -0.13 0.00 0.00 0.00 0.00 17.79 19.24 1j7h h ALA 113 CO 0.60 0.60 0.14 1.03 0.00 0.00 0.00 179.25 181.63 1j7h s ARG 114 N -2.44 1.20 0.19 0.00 3.00 -1.26 -5.00 118.95 114.64 1j7h s ARG 114 Ca -0.18 -0.43 -0.02 0.00 0.00 0.00 0.00 55.73 55.10 1j7h s ARG 114 Cb 0.03 0.55 -0.04 0.00 0.00 0.00 0.00 34.95 35.49 1j7h s ARG 114 CO 0.77 -0.50 0.15 -0.51 0.00 0.00 0.00 175.30 175.22 1j7h s LEU 115 N -2.55 1.18 0.23 2.53 1.02 -1.26 -5.07 118.68 114.77 1j7h s LEU 115 Ca -0.00 -1.30 -0.30 0.00 0.02 0.00 0.00 54.13 52.55 1j7h s LEU 115 Cb -0.00 0.52 -0.15 0.00 0.02 0.00 0.00 46.19 46.58 1j7h s LEU 115 CO -0.10 -0.85 1.14 -2.65 0.02 0.00 0.00 176.35 173.91 1j7h n PRO 116 N -0.25 1.39 -1.17 1.29 -0.02 -1.26 -0.59 135.00 134.40 1j7h n PRO 116 Ca -0.00 0.49 -0.06 0.00 -2.02 0.00 0.00 63.50 61.91 1j7h n PRO 116 Cb 0.65 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 1j7h n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1j7h n LYS 117 N 1.35 -1.14 -1.54 -0.52 4.01 -1.26 -2.56 118.16 116.50 1j7h n LYS 117 Ca 0.12 0.60 -0.18 0.00 -0.51 0.00 0.00 58.31 58.34 1j7h n LYS 117 Cb 0.29 -4.62 -0.08 0.00 -0.51 0.00 0.00 35.03 30.12 1j7h n LYS 117 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1j7h n ASP 118 N -0.44 -4.85 -4.57 4.39 8.00 0.25 -4.90 116.55 114.42 1j7h n ASP 118 Ca -0.06 0.45 -0.38 0.00 0.71 0.00 0.00 54.79 55.51 1j7h n ASP 118 Cb 0.37 -4.34 0.05 0.00 -0.02 0.00 0.00 41.12 37.18 1j7h n ASP 118 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1j7h n VAL 119 N -2.24 3.25 0.60 2.53 0.24 -1.06 -4.85 118.33 116.80 1j7h n VAL 119 Ca -0.18 -0.50 0.13 0.00 -2.04 0.00 0.00 64.34 61.74 1j7h n VAL 119 Cb 0.61 -0.99 0.35 0.00 -1.47 0.00 0.00 33.84 32.34 1j7h n VAL 119 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1j7h h GLY 120 N 0.40 0.00 -4.49 7.63 0.00 -1.90 -3.40 103.07 101.30 1j7h h GLY 120 Ca -0.47 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 1j7h h GLY 120 CO 0.50 0.00 -0.16 1.08 0.00 0.00 0.00 176.54 177.96 1j7h s LEU 121 N -4.54 0.44 0.05 3.11 1.43 -1.26 -2.38 118.68 115.52 1j7h s LEU 121 Ca 0.10 0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.58 1j7h s LEU 121 Cb 0.12 1.59 -0.02 0.00 0.03 0.00 0.00 46.19 47.91 1j7h s LEU 121 CO 0.62 -0.45 -0.15 -0.70 0.23 0.00 0.00 176.35 175.91 1j7h s GLU 122 N -1.09 0.93 0.13 1.70 2.12 -0.50 -4.00 118.70 117.99 1j7h s GLU 122 Ca -0.11 -0.82 0.11 0.00 0.36 0.00 0.00 54.97 54.51 1j7h s GLU 122 Cb -0.04 -0.96 -0.04 0.00 0.26 0.00 0.00 34.13 33.36 1j7h s GLU 122 CO 0.05 0.23 -0.27 0.42 -0.54 0.00 0.00 175.26 175.16 1j7h s ILE 123 N -0.94 2.26 -0.17 -3.70 -1.09 -0.72 -2.59 121.20 114.24 1j7h s ILE 123 Ca 0.01 -1.77 -0.29 0.00 -2.23 0.00 0.00 60.65 56.37 1j7h s ILE 123 Cb -0.08 -2.00 0.11 0.00 -1.58 0.00 0.00 42.46 38.91 1j7h s ILE 123 CO 0.02 0.07 0.92 -0.70 -1.23 0.00 0.00 174.94 174.02 1j7h s GLU 124 N -2.10 0.69 -0.08 2.79 2.12 -0.48 0.13 118.70 121.78 1j7h s GLU 124 Ca 0.14 0.31 -0.32 0.00 0.36 0.00 0.00 54.97 55.46 1j7h s GLU 124 Cb -0.10 0.33 0.12 0.00 0.26 0.00 0.00 34.13 34.74 1j7h s GLU 124 CO 0.06 -0.19 1.18 0.00 -0.54 0.00 0.00 175.26 175.78 1j7h s ALA 125 N -0.78 -2.07 0.15 6.30 0.00 -1.26 0.14 121.76 124.25 1j7h s ALA 125 Ca -0.03 1.10 0.10 0.00 0.00 0.00 0.00 51.96 53.13 1j7h s ALA 125 Cb -0.02 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1j7h s ALA 125 CO 0.02 -0.80 -0.20 0.42 0.00 0.00 0.00 175.76 175.20 1j7h s ILE 126 N -2.56 2.67 0.05 0.00 -1.09 -0.78 -1.48 121.20 118.01 1j7h s ILE 126 Ca 0.11 -1.71 0.04 0.00 -2.23 0.00 0.00 60.65 56.86 1j7h s ILE 126 Cb 0.01 -2.25 -0.02 0.00 -1.58 0.00 0.00 42.46 38.62 1j7h s ILE 126 CO -0.04 0.01 -0.13 0.00 -1.23 0.00 0.00 174.94 173.55 1j7h s ALA 127 N -1.36 1.04 0.13 9.38 0.00 0.17 -1.70 121.76 129.43 1j7h s ALA 127 Ca 0.19 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.37 1j7h s ALA 127 Cb -0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1j7h s ALA 127 CO 0.10 0.16 0.00 0.14 0.00 0.00 0.00 175.76 176.16 1j7h s VAL 128 N -1.04 3.90 -0.37 0.00 -7.23 -1.21 1.00 120.40 115.45 1j7h s VAL 128 Ca -0.01 -1.17 -0.02 0.00 -1.81 0.00 0.00 61.98 58.96 1j7h s VAL 128 Cb -0.09 -2.90 0.25 0.00 0.56 0.00 0.00 36.38 34.20 1j7h s VAL 128 CO 0.01 0.02 1.12 -1.14 -0.31 0.00 0.00 175.10 174.80 1j7h n ARG 129 N 0.26 0.24 0.00 4.82 0.63 0.30 -4.81 116.66 118.09 1j7h n ARG 129 Ca -0.10 -0.96 0.15 0.00 -0.92 0.00 0.00 57.85 56.02 1j7h n ARG 129 Cb 0.53 -0.39 0.91 0.00 0.45 0.00 0.00 32.46 33.97 1j7h n ARG 129 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48