#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 0.64 0.00 2.12 1.00 -1.26 -4.98 119.30 116.82 1j7h s MET 2 Ca 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 55.69 54.51 1j7h s MET 2 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 34.83 35.06 1j7h s MET 2 CO 0.00 -0.13 0.02 2.41 0.00 0.00 0.00 175.02 177.31 1j7h n THR 3 N 0.11-13.57 -3.67 2.05 -1.04 -1.22 -5.02 114.28 91.93 1j7h n THR 3 Ca -0.14 3.19 -0.09 0.00 -2.04 0.00 0.00 64.05 64.96 1j7h n THR 3 Cb 0.61 -6.18 -0.10 0.00 -1.82 0.00 0.00 70.33 62.84 1j7h n THR 3 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1j7h s GLN 4 N -0.61 0.33 0.46 -2.82 -0.44 -1.01 -4.98 119.66 110.59 1j7h s GLN 4 Ca -0.02 0.95 -0.24 0.00 -2.50 0.00 0.00 55.36 53.55 1j7h s GLN 4 Cb 0.00 0.21 -0.09 0.00 -1.64 0.00 0.00 33.01 31.49 1j7h s GLN 4 CO 0.06 -0.23 1.16 -0.89 0.50 0.00 0.00 175.29 175.89 1j7h n ILE 5 N 5.08 2.84 -4.41 -2.34 2.08 -1.26 -2.27 119.36 119.08 1j7h n ILE 5 Ca -0.12 -0.50 -0.33 0.00 0.56 0.00 0.00 62.75 62.36 1j7h n ILE 5 Cb 0.51 -1.39 -0.10 0.00 -0.75 0.00 0.00 39.64 37.91 1j7h n ILE 5 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1j7h s ILE 6 N -1.28 3.88 -0.08 1.39 1.01 0.28 -4.88 121.20 121.53 1j7h s ILE 6 Ca 0.65 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 60.57 1j7h s ILE 6 Cb -0.50 -2.69 0.02 0.00 0.01 0.00 0.00 42.46 39.31 1j7h s ILE 6 CO 0.55 0.43 0.25 -1.00 0.00 0.00 0.00 174.94 175.17 1j7h s HIS 7 N -0.99 -0.24 0.08 3.97 3.76 -1.26 -3.21 115.29 117.40 1j7h s HIS 7 Ca 0.17 0.56 -0.08 0.00 -0.15 0.00 0.00 55.06 55.56 1j7h s HIS 7 Cb -0.11 0.08 -0.01 0.00 1.11 0.00 0.00 32.58 33.65 1j7h s HIS 7 CO 0.07 -0.17 0.16 -0.08 -0.85 0.00 0.00 174.74 173.88 1j7h s THR 8 N -0.14 0.15 -0.41 1.30 -1.32 -1.26 -4.92 115.64 109.04 1j7h s THR 8 Ca -0.03 -1.22 0.05 0.00 -1.21 0.00 0.00 61.69 59.29 1j7h s THR 8 Cb -0.03 -1.30 0.66 0.00 -1.51 0.00 0.00 72.50 70.32 1j7h s THR 8 CO 0.01 -0.67 1.85 1.21 -2.21 0.00 0.00 174.62 174.81 1j7h n GLU 9 N 0.06 2.57 0.00 7.08 2.13 -1.26 -4.28 120.64 126.94 1j7h n GLU 9 Ca -0.15 -2.90 0.00 0.00 0.66 0.00 0.00 57.16 54.77 1j7h n GLU 9 Cb 0.62 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.18 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 -0.83 0.00 -0.95 5.31 5.02 -1.26 -5.08 118.16 120.37 1j7h n LYS 10 Ca 0.53 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.53 1j7h n LYS 10 Cb 1.56 -0.73 0.22 0.00 -0.02 0.00 0.00 35.03 36.05 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 -1.93 0.37 -0.61 7.82 0.00 -1.26 -4.79 121.76 121.36 1j7h s ALA 11 Ca 0.00 -0.45 0.15 0.00 0.00 0.00 0.00 51.96 51.66 1j7h s ALA 11 Cb 0.00 -3.10 0.72 0.00 0.00 0.00 0.00 23.12 20.75 1j7h s ALA 11 CO 0.00 -3.36 1.46 -0.35 0.00 0.00 0.00 175.76 173.51 1j7h n PRO 12 N -4.57 0.09 -0.84 0.00 -0.04 -1.26 -4.97 135.00 123.41 1j7h n PRO 12 Ca 0.06 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1j7h n PRO 12 Cb 0.57 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.66 -1.36 -3.00 0.55 0.00 -1.26 -4.92 120.51 108.85 1j7h n ALA 13 Ca 0.01 0.25 -0.36 0.00 0.00 0.00 0.00 53.44 53.34 1j7h n ALA 13 Cb 0.09 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.41 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 -4.35 3.18 -0.04 0.00 0.00 -1.26 -4.93 121.76 114.36 1j7h s ALA 14 Ca 0.00 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.00 1j7h s ALA 14 Cb 0.00 -1.97 0.08 0.00 0.00 0.00 0.00 23.12 21.23 1j7h s ALA 14 CO 0.00 -0.27 0.95 -0.89 0.00 0.00 0.00 175.76 175.56 1j7h n ILE 15 N 4.47 0.66 0.00 0.00 2.08 -1.26 -4.88 119.36 120.42 1j7h n ILE 15 Ca -0.16 -0.76 0.00 0.00 0.56 0.00 0.00 62.75 62.38 1j7h n ILE 15 Cb 0.52 0.38 0.00 0.00 -0.75 0.00 0.00 39.64 39.79 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 -0.47 2.76 1.40 7.39 0.00 -1.26 -4.99 105.19 110.01 1j7h n GLY 16 Ca 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 2.35 -3.99 1.61 -0.04 -1.26 -4.92 135.00 128.76 1j7h n PRO 17 Ca 0.00 -1.55 -0.11 0.00 -0.04 0.00 0.00 63.50 61.80 1j7h n PRO 17 Cb 0.00 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.67 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 -1.78 0.56 0.42 0.54 1.13 -1.26 -5.18 117.35 111.77 1j7h s TYR 18 Ca 0.28 -0.93 0.04 0.00 -1.41 0.00 0.00 57.07 55.05 1j7h s TYR 18 Cb 0.22 0.22 -0.05 0.00 -1.10 0.00 0.00 41.96 41.25 1j7h s TYR 18 CO 0.07 -1.15 0.03 0.14 -2.51 0.00 0.00 175.55 172.13 1j7h s VAL 19 N -3.38 1.41 0.25 -3.49 -7.23 -1.26 -4.38 120.40 102.32 1j7h s VAL 19 Ca 0.24 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.35 1j7h s VAL 19 Cb -0.01 -2.65 0.25 0.00 0.56 0.00 0.00 36.38 34.52 1j7h s VAL 19 CO 0.13 0.00 1.92 -0.61 -0.31 0.00 0.00 175.10 176.23 1j7h h GLN 20 N 1.74 1.25 0.00 4.82 5.75 -1.89 -3.43 115.11 123.34 1j7h h GLN 20 Ca -0.42 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1j7h h GLN 20 Cb 1.27 -0.28 0.00 0.00 1.07 0.00 0.00 27.48 29.53 1j7h h GLN 20 CO 0.74 0.83 0.00 0.00 -2.65 0.00 0.00 178.83 177.74 1j7h n ALA 21 N -2.37 0.00 -3.34 3.38 0.00 -1.20 -3.56 120.51 113.44 1j7h n ALA 21 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 1j7h n ALA 21 Cb 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.00 -0.03 -0.28 0.00 -7.23 -1.15 0.10 120.40 109.81 1j7h s VAL 22 Ca 0.00 0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.30 1j7h s VAL 22 Cb 0.00 -0.06 0.06 0.00 0.56 0.00 0.00 36.38 36.95 1j7h s VAL 22 CO 0.00 0.05 -0.06 -0.62 -0.31 0.00 0.00 175.10 174.16 1j7h s ASP 23 N 0.56 4.62 0.24 4.85 -1.08 -0.96 -2.89 116.67 122.01 1j7h s ASP 23 Ca -0.05 -1.45 0.24 0.00 -0.52 0.00 0.00 52.55 50.78 1j7h s ASP 23 Cb -0.07 -1.61 0.42 0.00 -1.46 0.00 0.00 42.92 40.21 1j7h s ASP 23 CO -0.02 -0.24 1.48 -0.07 0.52 0.00 0.00 175.17 176.85 1j7h h LEU 24 N 7.83 0.00 0.00 -1.34 -0.00 -1.80 -2.67 115.31 117.32 1j7h h LEU 24 Ca -0.18 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1j7h h LEU 24 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 1j7h h LEU 24 CO 0.49 0.03 0.00 0.61 -0.00 0.00 0.00 178.44 179.57 1j7h n GLY 25 N 1.25 1.30 0.40 0.83 0.00 -1.26 -3.81 105.19 103.90 1j7h n GLY 25 Ca 0.04 -0.81 0.22 0.00 0.00 0.00 0.00 46.02 45.46 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 0.01 -3.66 1.61 2.35 -1.95 -3.33 115.58 110.61 1j7h h ASN 26 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 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 0.01 -0.84 -0.76 -1.65 0.00 0.00 177.43 174.19 1j7h s LEU 27 N -8.72 1.86 0.08 1.61 1.02 -1.26 -0.34 118.68 112.94 1j7h s LEU 27 Ca -0.05 -0.37 0.05 0.00 0.02 0.00 0.00 54.13 53.78 1j7h s LEU 27 Cb 0.20 -1.00 -0.03 0.00 0.02 0.00 0.00 46.19 45.38 1j7h s LEU 27 CO 0.74 0.12 -0.13 0.54 0.02 0.00 0.00 176.35 177.64 1j7h s VAL 28 N 0.28 1.08 -0.06 -1.59 0.11 0.32 -2.49 120.40 118.05 1j7h s VAL 28 Ca -0.10 -1.44 -0.05 0.00 -2.93 0.00 0.00 61.98 57.47 1j7h s VAL 28 Cb -0.14 -1.18 0.01 0.00 -1.53 0.00 0.00 36.38 33.54 1j7h s VAL 28 CO 0.04 -0.34 0.15 -0.76 -3.33 0.00 0.00 175.10 170.85 1j7h s LEU 29 N -2.01 1.43 -0.05 2.54 1.02 -1.14 0.67 118.68 121.14 1j7h s LEU 29 Ca 0.01 0.30 -0.01 0.00 0.02 0.00 0.00 54.13 54.45 1j7h s LEU 29 Cb -0.08 0.51 -0.04 0.00 0.02 0.00 0.00 46.19 46.61 1j7h s LEU 29 CO 0.02 -0.05 0.03 0.42 0.02 0.00 0.00 176.35 176.78 1j7h s THR 30 N 0.08 4.42 0.68 5.49 -4.23 -0.72 -2.91 115.64 118.45 1j7h s THR 30 Ca -0.00 -0.35 -0.14 0.00 -1.18 0.00 0.00 61.69 60.01 1j7h s THR 30 Cb -0.01 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 70.91 1j7h s THR 30 CO 0.00 0.49 1.11 -0.94 -0.54 0.00 0.00 174.62 174.74 1j7h s SER 31 N -1.26 4.99 -0.67 3.99 1.04 -1.23 -4.15 113.70 116.42 1j7h s SER 31 Ca 0.17 1.97 -0.26 0.00 0.48 0.00 0.00 55.95 58.31 1j7h s SER 31 Cb -0.12 -2.55 -0.11 0.00 0.10 0.00 0.00 66.02 63.35 1j7h s SER 31 CO 0.07 -1.71 2.42 -0.83 0.98 0.00 0.00 173.24 174.17 1j7h s GLY 32 N -2.72 -0.69 0.57 7.32 0.00 -1.25 -4.59 107.32 105.96 1j7h s GLY 32 Ca 0.66 -0.45 -0.15 0.00 0.00 0.00 0.00 44.72 44.78 1j7h s GLY 32 CO 0.44 4.21 1.02 1.20 0.00 0.00 0.00 173.10 179.97 1j7h s GLN 33 N 8.67 3.64 0.03 2.90 1.11 0.31 -4.72 119.66 131.59 1j7h s GLN 33 Ca 0.95 0.97 0.02 0.00 0.01 0.00 0.00 55.36 57.31 1j7h s GLN 33 Cb -0.15 -2.09 -0.02 0.00 -1.01 0.00 0.00 33.01 29.75 1j7h s GLN 33 CO 0.15 -0.54 -0.07 0.96 0.01 0.00 0.00 175.29 175.81 1j7h s ILE 34 N -2.75 0.49 -0.75 1.08 -4.36 -1.26 0.12 121.20 113.78 1j7h s ILE 34 Ca 0.59 -0.79 -0.08 0.00 -0.26 0.00 0.00 60.65 60.11 1j7h s ILE 34 Cb -0.12 -0.52 -0.06 0.00 1.25 0.00 0.00 42.46 43.01 1j7h s ILE 34 CO 0.40 -0.22 1.92 -0.81 0.24 0.00 0.00 174.94 176.47 1j7h n PRO 35 N 1.96 1.67 -1.97 0.37 -0.04 -1.26 -4.81 135.00 130.92 1j7h n PRO 35 Ca -0.19 -1.37 -0.25 0.00 -0.04 0.00 0.00 63.50 61.65 1j7h n PRO 35 Cb 0.56 -2.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.51 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 3.92 3.40 -0.21 0.52 1.01 -1.16 -3.11 120.40 124.77 1j7h s VAL 36 Ca 0.37 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.63 1j7h s VAL 36 Cb 0.09 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 1j7h s VAL 36 CO -0.00 -0.80 0.73 -3.20 0.00 0.00 0.00 175.10 171.83 1j7h n ASN 37 N 15.05 0.50 0.17 3.32 2.85 -1.24 -4.38 115.26 131.53 1j7h n ASN 37 Ca 0.43 0.56 0.12 0.00 -0.11 0.00 0.00 54.58 55.57 1j7h n ASN 37 Cb 0.46 -0.42 0.60 0.00 1.24 0.00 0.00 39.78 41.66 1j7h n ASN 37 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1j7h h PRO 38 N 2.25 0.00 0.00 1.20 0.11 -1.98 1.45 132.00 135.04 1j7h h PRO 38 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1j7h h PRO 38 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1j7h h PRO 38 CO 0.44 0.00 -0.75 0.00 -0.21 0.00 0.00 178.00 177.49 1j7h n ALA 39 N -1.80 2.28 -0.03 -0.75 0.00 -1.26 -4.74 120.51 114.21 1j7h n ALA 39 Ca -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 1j7h n ALA 39 Cb 0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.35 1j7h n ALA 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1j7h n THR 40 N -1.40 0.47 -2.44 0.00 -1.04 -0.96 -5.06 114.28 103.85 1j7h n THR 40 Ca -0.00 -0.29 -0.06 0.00 -2.04 0.00 0.00 64.05 61.66 1j7h n THR 40 Cb 0.08 -0.82 0.03 0.00 -1.82 0.00 0.00 70.33 67.80 1j7h n THR 40 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j7h n GLY 41 N 2.59 0.14 0.17 3.41 0.00 0.49 -4.89 105.19 107.11 1j7h n GLY 41 Ca -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.17 0.00 -3.41 1.61 0.28 -1.26 -4.78 120.64 110.92 1j7h n GLU 42 Ca -0.09 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.93 1j7h n GLU 42 Cb 0.56 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.38 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 -0.32 -0.19 0.34 3.84 0.11 -1.18 -2.99 120.40 120.00 1j7h s VAL 43 Ca 0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 1j7h s VAL 43 Cb 0.00 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 1j7h s VAL 43 CO 0.00 0.00 1.28 -2.16 -3.33 0.00 0.00 175.10 170.89 1j7h s PRO 44 N 1.91 4.33 0.51 1.54 0.04 -1.26 -4.86 135.00 137.21 1j7h s PRO 44 Ca -0.03 2.15 0.22 0.00 0.04 0.00 0.00 61.00 63.38 1j7h s PRO 44 Cb -0.03 -3.03 1.30 0.00 0.04 0.00 0.00 34.50 32.78 1j7h s PRO 44 CO -0.15 -0.19 1.99 0.00 0.04 0.00 0.00 177.00 178.69 1j7h h ALA 45 N 3.31 2.37 -1.13 8.56 0.00 -2.01 -3.38 119.26 126.98 1j7h h ALA 45 Ca -0.49 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.04 1j7h h ALA 45 Cb 1.23 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1j7h h ALA 45 CO 0.65 -0.52 1.04 -0.51 0.00 0.00 0.00 179.25 179.92 1j7h s ASP 46 N -6.23 4.92 0.54 0.00 1.01 -1.26 -4.79 116.67 110.85 1j7h s ASP 46 Ca -0.06 0.11 0.41 0.00 0.71 0.00 0.00 52.55 53.72 1j7h s ASP 46 Cb 0.20 -2.54 1.60 0.00 1.01 0.00 0.00 42.92 43.19 1j7h s ASP 46 CO 0.73 -2.76 1.71 -0.29 0.21 0.00 0.00 175.17 174.77 1j7h h ILE 47 N 7.23 0.26 0.21 0.77 6.09 -2.00 0.93 117.51 131.01 1j7h h ILE 47 Ca -0.11 -0.01 -0.32 0.00 -1.37 0.00 0.00 64.86 63.05 1j7h h ILE 47 Cb 1.11 0.24 0.03 0.00 0.47 0.00 0.00 36.82 38.67 1j7h h ILE 47 CO 1.18 0.00 -1.40 0.58 -3.07 0.00 0.00 178.15 175.44 1j7h h VAL 48 N 0.02 1.34 0.38 2.19 2.07 -1.92 -2.46 116.25 117.88 1j7h h VAL 48 Ca 0.71 -2.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.44 1j7h h VAL 48 Cb 2.79 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 35.55 1j7h h VAL 48 CO -0.04 0.83 -0.18 0.00 0.02 0.00 0.00 177.57 178.19 1j7h h ALA 49 N 0.28 -0.51 0.00 1.67 0.00 0.48 0.15 119.26 121.32 1j7h h ALA 49 Ca -0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1j7h h ALA 49 Cb 2.10 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 20.09 1j7h h ALA 49 CO 0.26 -0.76 -0.13 -0.56 0.00 0.00 0.00 179.25 178.05 1j7h h GLN 50 N -0.56 0.00 -0.15 0.00 3.07 -1.25 0.17 115.11 116.38 1j7h h GLN 50 Ca -0.05 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.54 1j7h h GLN 50 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.98 1j7h h GLN 50 CO 0.09 0.13 -0.55 0.00 0.09 0.00 0.00 178.83 178.59 1j7h h ALA 51 N 1.87 0.77 0.22 0.06 0.00 -0.90 -1.21 119.26 120.06 1j7h h ALA 51 Ca -0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 54.91 54.10 1j7h h ALA 51 Cb 0.24 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.98 1j7h h ALA 51 CO 0.02 0.69 -1.35 -0.09 0.00 0.00 0.00 179.25 178.51 1j7h h ARG 52 N 0.34 0.46 -0.70 0.00 2.43 0.17 -3.14 114.38 113.95 1j7h h ARG 52 Ca 0.01 -0.79 -0.06 0.00 -0.81 0.00 0.00 59.98 58.32 1j7h h ARG 52 Cb 1.07 0.29 -0.03 0.00 -0.42 0.00 0.00 29.97 30.88 1j7h h ARG 52 CO 0.10 1.38 0.20 1.96 -1.51 0.00 0.00 179.97 182.10 1j7h h GLN 53 N 0.00 1.10 0.00 0.20 7.50 -0.72 -1.57 115.11 121.62 1j7h h GLN 53 Ca -0.24 -0.25 -0.04 0.00 0.50 0.00 0.00 58.65 58.61 1j7h h GLN 53 Cb 2.03 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 29.40 1j7h h GLN 53 CO 0.23 0.96 -0.21 0.66 -1.50 0.00 0.00 178.83 178.97 1j7h h SER 54 N 1.04 0.00 1.69 1.46 4.64 -1.32 -1.29 113.55 119.77 1j7h h SER 54 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1j7h h SER 54 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1j7h h SER 54 CO -0.00 0.21 -0.19 -0.07 -0.87 0.00 0.00 176.83 175.91 1j7h h LEU 55 N 0.00 0.00 0.02 5.97 3.38 -1.37 -3.15 115.31 120.16 1j7h h LEU 55 Ca -0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1j7h h LEU 55 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1j7h h LEU 55 CO 0.03 0.01 -0.56 -0.08 0.09 0.00 0.00 178.44 177.92 1j7h h GLU 56 N 0.00 0.04 -0.26 1.13 4.81 -0.30 -2.97 114.58 117.03 1j7h h GLU 56 Ca 0.00 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1j7h h GLU 56 Cb 0.94 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1j7h h GLU 56 CO 0.00 1.04 0.02 -2.95 -0.73 0.00 0.00 179.01 176.39 1j7h h ASN 57 N -0.89 0.36 -0.16 1.04 7.08 -1.41 0.40 115.58 121.99 1j7h h ASN 57 Ca -0.14 -0.05 -0.20 0.00 -3.08 0.00 0.00 56.30 52.83 1j7h h ASN 57 Cb 1.21 -0.09 0.01 0.00 -2.08 0.00 0.00 38.32 37.36 1j7h h ASN 57 CO -0.05 0.40 -0.69 0.58 -2.08 0.00 0.00 177.43 175.60 1j7h h VAL 58 N 0.38 1.29 -0.06 6.14 2.07 -1.69 -2.89 116.25 121.50 1j7h h VAL 58 Ca 0.09 -1.90 -0.16 0.00 0.82 0.00 0.00 66.70 65.54 1j7h h VAL 58 Cb 0.22 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1j7h h VAL 58 CO 0.00 0.60 -0.68 0.50 0.02 0.00 0.00 177.57 178.01 1j7h h LYS 59 N 0.46 0.28 -0.86 1.57 3.64 -1.29 -2.89 116.57 117.49 1j7h h LYS 59 Ca -0.04 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 1j7h h LYS 59 Cb 1.32 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.14 1j7h h LYS 59 CO 0.14 0.85 0.47 0.00 -2.27 0.00 0.00 179.45 178.64 1j7h h ALA 60 N 1.09 1.20 -0.38 5.00 0.00 -0.21 0.18 119.26 126.14 1j7h h ALA 60 Ca -0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1j7h h ALA 60 Cb 1.23 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1j7h h ALA 60 CO 0.11 0.64 -0.21 0.82 0.00 0.00 0.00 179.25 180.61 1j7h h ILE 61 N 1.20 1.28 -0.48 0.00 2.04 -1.45 0.19 117.51 120.29 1j7h h ILE 61 Ca 0.30 -1.35 -0.11 0.00 1.00 0.00 0.00 64.86 64.69 1j7h h ILE 61 Cb 0.03 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1j7h h ILE 61 CO -0.05 0.45 -0.15 0.40 0.00 0.00 0.00 178.15 178.80 1j7h h ILE 62 N 0.62 1.27 -0.15 -0.67 2.04 -1.25 -2.22 117.51 117.14 1j7h h ILE 62 Ca 0.08 -1.29 -0.19 0.00 1.00 0.00 0.00 64.86 64.46 1j7h h ILE 62 Cb 0.77 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1j7h h ILE 62 CO 0.06 0.45 -0.69 -0.08 0.00 0.00 0.00 178.15 177.88 1j7h h GLU 63 N 0.81 0.62 0.00 2.37 4.81 -0.57 -0.58 114.58 122.04 1j7h h GLU 63 Ca 0.12 -0.47 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1j7h h GLU 63 Cb 0.70 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 1j7h h GLU 63 CO 0.05 1.09 -0.01 -0.22 -0.73 0.00 0.00 179.01 179.20 1j7h h LYS 64 N 0.44 0.00 0.00 1.92 1.63 -0.46 -2.05 116.57 118.05 1j7h h LYS 64 Ca -0.03 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.62 1j7h h LYS 64 Cb 1.28 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.89 1j7h h LYS 64 CO 0.13 0.01 -1.52 0.00 -3.45 0.00 0.00 179.45 174.62 1j7h n ALA 65 N -2.09 2.02 0.00 5.00 0.00 -0.85 -4.98 120.51 119.60 1j7h n ALA 65 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1j7h n ALA 65 Cb 0.20 -0.88 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 1.40 0.81 3.19 0.00 0.00 -0.77 -5.10 105.19 104.71 1j7h n GLY 66 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 0.52 0.53 0.99 1.43 -0.28 -5.01 118.68 116.86 1j7h s LEU 67 Ca 0.00 0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 53.73 1j7h s LEU 67 Cb 0.00 1.09 -0.01 0.00 0.03 0.00 0.00 46.19 47.30 1j7h s LEU 67 CO 0.00 -0.14 0.82 -0.89 0.23 0.00 0.00 176.35 176.37 1j7h s THR 68 N 0.63 4.11 0.52 5.49 2.01 -1.26 -3.20 115.64 123.93 1j7h s THR 68 Ca -0.04 -0.03 0.25 0.00 0.31 0.00 0.00 61.69 62.18 1j7h s THR 68 Cb -0.05 -3.58 0.39 0.00 0.01 0.00 0.00 72.50 69.27 1j7h s THR 68 CO -0.04 -0.56 1.99 0.00 -0.69 0.00 0.00 174.62 175.33 1j7h h ALA 69 N 0.06 2.48 0.00 7.40 0.00 -1.95 0.28 119.26 127.53 1j7h h ALA 69 Ca -0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1j7h h ALA 69 Cb 1.24 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1j7h h ALA 69 CO 0.60 -0.63 -0.09 0.00 0.00 0.00 0.00 179.25 179.14 1j7h h ALA 70 N 1.73 1.07 -0.03 0.00 0.00 -1.82 -2.32 119.26 117.90 1j7h h ALA 70 Ca 0.26 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1j7h h ALA 70 Cb 1.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1j7h h ALA 70 CO -0.01 0.11 -0.44 -0.44 0.00 0.00 0.00 179.25 178.47 1j7h h ASP 71 N 0.00 0.08 -2.50 0.00 5.19 -0.76 -3.42 116.42 115.02 1j7h h ASP 71 Ca -0.00 -0.03 -0.57 0.00 -0.62 0.00 0.00 57.03 55.81 1j7h h ASP 71 Cb 0.46 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.92 1j7h h ASP 71 CO 0.01 0.51 1.31 -0.63 -3.12 0.00 0.00 179.24 177.33 1j7h s ILE 72 N -4.05 3.41 0.12 0.35 1.09 -0.87 -1.31 121.20 119.94 1j7h s ILE 72 Ca -0.03 0.40 0.03 0.00 -1.10 0.00 0.00 60.65 59.95 1j7h s ILE 72 Cb 0.14 -3.60 -0.21 0.00 -1.06 0.00 0.00 42.46 37.73 1j7h s ILE 72 CO 0.75 -0.41 1.27 -0.37 -0.10 0.00 0.00 174.94 176.08 1j7h h VAL 73 N 6.87 1.60 -3.60 2.92 -1.51 -1.53 -3.40 116.25 117.60 1j7h h VAL 73 Ca -0.33 -3.11 -0.34 0.00 -1.23 0.00 0.00 66.70 61.69 1j7h h VAL 73 Cb 1.18 2.77 -0.17 0.00 -2.13 0.00 0.00 31.29 32.94 1j7h h VAL 73 CO 1.05 0.90 -0.73 -0.75 -1.23 0.00 0.00 177.57 176.80 1j7h s LYS 74 N -2.83 0.95 -0.15 5.19 2.20 -1.19 0.68 119.74 124.58 1j7h s LYS 74 Ca -0.01 -1.26 -0.04 0.00 -0.36 0.00 0.00 55.97 54.29 1j7h s LYS 74 Cb 0.09 -0.63 0.07 0.00 -1.51 0.00 0.00 37.83 35.85 1j7h s LYS 74 CO 0.84 0.10 0.26 0.99 -0.36 0.00 0.00 175.35 177.18 1j7h s THR 75 N -2.65 -0.41 -0.01 3.43 2.01 0.19 -1.85 115.64 116.35 1j7h s THR 75 Ca 0.10 0.18 -0.00 0.00 0.31 0.00 0.00 61.69 62.28 1j7h s THR 75 Cb -0.02 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 1j7h s THR 75 CO 0.01 0.04 0.06 -0.89 -0.69 0.00 0.00 174.62 173.14 1j7h s THR 76 N 2.41 4.57 -0.19 -0.82 2.01 0.14 -2.51 115.64 121.26 1j7h s THR 76 Ca 0.03 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 61.52 1j7h s THR 76 Cb -0.13 -3.07 0.08 0.00 0.01 0.00 0.00 72.50 69.40 1j7h s THR 76 CO -0.10 0.37 0.40 -0.69 -0.69 0.00 0.00 174.62 173.92 1j7h s VAL 77 N -1.15 -0.55 -0.29 3.82 1.01 -1.19 -1.76 120.40 120.29 1j7h s VAL 77 Ca 0.21 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 1j7h s VAL 77 Cb -0.12 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1j7h s VAL 77 CO 0.12 0.07 0.38 -0.36 0.00 0.00 0.00 175.10 175.31 1j7h s PHE 78 N 2.45 3.23 0.13 5.22 0.08 -1.15 -2.52 117.98 125.42 1j7h s PHE 78 Ca -0.02 0.32 0.06 0.00 0.12 0.00 0.00 56.93 57.41 1j7h s PHE 78 Cb -0.12 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.68 1j7h s PHE 78 CO -0.12 -0.28 -0.02 0.14 -0.10 0.00 0.00 175.22 174.83 1j7h s VAL 79 N 2.08 3.75 -1.65 -0.44 -7.23 -0.37 -1.67 120.40 114.88 1j7h s VAL 79 Ca 0.15 -1.24 0.23 0.00 -1.81 0.00 0.00 61.98 59.31 1j7h s VAL 79 Cb -0.16 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1j7h s VAL 79 CO 0.10 0.02 1.12 2.29 -0.31 0.00 0.00 175.10 178.32 1j7h n LYS 80 N 0.30 0.75 -3.35 4.82 2.85 -1.18 -0.36 118.16 121.99 1j7h n LYS 80 Ca -0.11 -0.60 -0.14 0.00 -1.05 0.00 0.00 58.31 56.41 1j7h n LYS 80 Cb 0.53 -1.49 -0.07 0.00 -0.65 0.00 0.00 35.03 33.35 1j7h n LYS 80 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1j7h s ASP 81 N -2.66 0.93 0.25 -5.58 2.15 -1.26 -4.90 116.67 105.60 1j7h s ASP 81 Ca 0.16 -1.13 0.19 0.00 0.43 0.00 0.00 52.55 52.20 1j7h s ASP 81 Cb 0.18 0.75 0.95 0.00 -0.30 0.00 0.00 42.92 44.50 1j7h s ASP 81 CO 0.66 -0.30 1.59 0.18 -0.17 0.00 0.00 175.17 177.13 1j7h n LEU 82 N 4.69 0.50 0.12 -1.34 4.77 -1.26 -1.14 117.00 123.33 1j7h n LEU 82 Ca 0.06 0.69 -0.01 0.00 -0.03 0.00 0.00 56.01 56.72 1j7h n LEU 82 Cb 0.47 -0.70 0.05 0.00 -2.33 0.00 0.00 43.42 40.91 1j7h n LEU 82 CO 0.04 -0.74 0.39 -1.13 -1.33 0.00 0.00 177.39 174.62 1j7h h ASN 83 N 0.00 0.00 0.71 -1.43 -1.24 -2.00 -3.13 115.58 108.49 1j7h h ASN 83 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1j7h h ASN 83 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 1j7h h ASN 83 CO 0.00 0.69 -1.04 0.47 -1.29 0.00 0.00 177.43 176.26 1j7h n ASP 84 N -3.43 0.67 0.26 1.15 8.00 -0.29 -4.00 116.55 118.91 1j7h n ASP 84 Ca 0.00 0.10 0.17 0.00 0.71 0.00 0.00 54.79 55.78 1j7h n ASP 84 Cb 0.75 0.64 0.90 0.00 -0.02 0.00 0.00 41.12 43.40 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 0.00 0.00 -0.92 1.24 3.57 -1.36 -2.35 116.94 117.12 1j7h h PHE 85 Ca 0.00 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.71 1j7h h PHE 85 Cb 0.87 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.50 1j7h h PHE 85 CO 0.00 0.00 0.45 0.00 -2.23 0.00 0.00 178.31 176.53 1j7h h ALA 86 N 1.84 1.50 0.06 2.41 0.00 -1.71 1.04 119.26 124.40 1j7h h ALA 86 Ca 0.04 0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.80 1j7h h ALA 86 Cb 0.29 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1j7h h ALA 86 CO -0.00 -0.27 -1.56 0.00 0.00 0.00 0.00 179.25 177.42 1j7h h ALA 87 N 1.69 0.46 0.33 0.00 0.00 -1.73 -3.14 119.26 116.86 1j7h h ALA 87 Ca 0.56 -1.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1j7h h ALA 87 Cb 1.02 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1j7h h ALA 87 CO -0.48 1.32 -0.16 0.28 0.00 0.00 0.00 179.25 180.21 1j7h h VAL 88 N 0.04 0.68 -0.68 0.00 2.07 -1.04 -1.58 116.25 115.73 1j7h h VAL 88 Ca -0.24 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 66.83 1j7h h VAL 88 Cb 1.98 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 32.62 1j7h h VAL 88 CO 0.12 0.10 0.38 -1.13 0.02 0.00 0.00 177.57 177.05 1j7h h ASN 89 N -0.73 0.55 0.18 0.57 -1.24 0.88 -0.47 115.58 115.33 1j7h h ASN 89 Ca -0.04 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 56.97 1j7h h ASN 89 Cb 0.50 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.46 1j7h h ASN 89 CO 0.07 0.36 -0.15 0.00 -1.29 0.00 0.00 177.43 176.42 1j7h h ALA 90 N 1.35 1.65 -0.41 1.57 0.00 -1.52 -2.11 119.26 119.79 1j7h h ALA 90 Ca 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1j7h h ALA 90 Cb 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1j7h h ALA 90 CO -0.19 0.18 0.12 1.49 0.00 0.00 0.00 179.25 180.86 1j7h h GLU 91 N 0.00 0.60 -0.22 0.00 4.81 -0.03 -0.72 114.58 119.02 1j7h h GLU 91 Ca -0.00 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1j7h h GLU 91 Cb 0.28 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1j7h h GLU 91 CO 0.02 0.54 -0.05 1.88 -0.73 0.00 0.00 179.01 180.66 1j7h h TYR 92 N 0.59 0.48 0.00 0.92 -1.99 -1.26 -2.06 116.97 113.66 1j7h h TYR 92 Ca 0.14 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 60.73 1j7h h TYR 92 Cb 0.19 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 1j7h h TYR 92 CO 0.01 0.66 -0.19 1.49 -0.00 0.00 0.00 178.16 180.13 1j7h h GLU 93 N 0.16 0.00 0.06 4.88 4.22 -1.42 0.13 114.58 122.61 1j7h h GLU 93 Ca 0.06 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 59.23 1j7h h GLU 93 Cb 0.50 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.77 1j7h h GLU 93 CO 0.02 0.19 -1.11 -0.09 -2.18 0.00 0.00 179.01 175.84 1j7h h ARG 94 N 0.00 0.55 0.18 1.92 2.43 -0.90 -3.11 114.38 115.44 1j7h h ARG 94 Ca -0.00 -0.66 -0.32 0.00 -0.81 0.00 0.00 59.98 58.18 1j7h h ARG 94 Cb 0.49 0.21 0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1j7h h ARG 94 CO 0.02 1.27 -1.53 0.27 -1.51 0.00 0.00 179.97 178.50 1j7h h PHE 95 N 0.27 0.69 -0.19 2.20 -5.15 -1.14 -3.15 116.94 110.47 1j7h h PHE 95 Ca -0.14 -0.50 0.05 0.00 -0.20 0.00 0.00 57.97 57.18 1j7h h PHE 95 Cb 1.77 -0.03 -0.06 0.00 0.22 0.00 0.00 35.95 37.86 1j7h h PHE 95 CO 0.09 1.50 -0.17 0.74 -2.00 0.00 0.00 178.31 178.47 1j7h h PHE 96 N 0.10 -0.44 -0.03 6.09 0.04 -0.85 0.69 116.94 122.54 1j7h h PHE 96 Ca -0.26 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.52 1j7h h PHE 96 Cb 2.08 0.22 -0.00 0.00 2.20 0.00 0.00 35.95 40.45 1j7h h PHE 96 CO 0.09 -0.25 -0.07 1.57 -0.60 0.00 0.00 178.31 179.05 1j7h h LYS 97 N -0.18 0.04 -0.13 1.51 2.10 -1.67 0.48 116.57 118.72 1j7h h LYS 97 Ca 0.12 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1j7h h LYS 97 Cb 0.36 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1j7h h LYS 97 CO -0.31 0.12 0.00 0.39 -2.00 0.00 0.00 179.45 177.65 1j7h n GLU 98 N -4.43 1.70 0.00 0.07 4.71 0.24 -3.57 120.64 119.36 1j7h n GLU 98 Ca -0.02 -1.05 0.02 0.00 -0.01 0.00 0.00 57.16 56.10 1j7h n GLU 98 Cb 0.17 -1.42 -0.01 0.00 -1.01 0.00 0.00 31.44 29.17 1j7h n GLU 98 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1j7h n ASN 99 N 0.27 0.63 0.00 1.62 4.13 0.21 -4.99 115.26 117.13 1j7h n ASN 99 Ca 0.17 -0.81 0.00 0.00 1.68 0.00 0.00 54.58 55.62 1j7h n ASN 99 Cb 0.33 0.62 0.00 0.00 -1.54 0.00 0.00 39.78 39.20 1j7h n ASN 99 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1j7h n ASN 100 N -0.59 -0.97 -2.72 6.41 2.04 -0.24 -4.62 115.26 114.57 1j7h n ASN 100 Ca 0.01 0.00 -0.28 0.00 -0.44 0.00 0.00 54.58 53.88 1j7h n ASN 100 Cb 0.08 -0.27 -0.02 0.00 -2.53 0.00 0.00 39.78 37.04 1j7h n ASN 100 CO 0.00 0.00 0.00 1.57 -0.44 0.00 0.00 177.26 178.39 1j7h n HIS 101 N -2.60 3.67 0.31 -2.53 -0.00 0.14 -4.58 115.22 109.63 1j7h n HIS 101 Ca 0.00 -3.46 0.16 0.00 0.46 0.00 0.00 57.72 54.88 1j7h n HIS 101 Cb 0.16 -0.32 0.62 0.00 -0.12 0.00 0.00 29.99 30.34 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 2.81 0.00 -0.95 1.57 0.13 -1.88 -3.13 132.00 130.55 1j7h h PRO 102 Ca 0.24 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.43 1j7h h PRO 102 Cb 0.70 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.77 1j7h h PRO 102 CO 0.86 0.00 0.62 -0.91 -0.23 0.00 0.00 178.00 178.34 1j7h h ASN 103 N 0.00 0.99 -3.16 1.44 2.35 -1.95 -3.49 115.58 111.77 1j7h h ASN 103 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1j7h h ASN 103 Cb 0.50 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1j7h h ASN 103 CO 0.00 0.65 0.00 0.49 -1.65 0.00 0.00 177.43 176.92 1j7h n PHE 104 N -4.48 0.00 -2.50 1.19 3.72 -1.18 -5.05 117.46 109.15 1j7h n PHE 104 Ca 0.14 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.27 1j7h n PHE 104 Cb 0.16 -1.73 0.02 0.00 -0.94 0.00 0.00 39.48 36.98 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 -3.35 3.23 0.37 -1.08 0.04 -1.26 -5.00 135.00 127.95 1j7h s PRO 105 Ca 0.00 0.10 -0.27 0.00 0.04 0.00 0.00 61.00 60.87 1j7h s PRO 105 Cb 0.00 -2.32 -0.11 0.00 0.04 0.00 0.00 34.50 32.10 1j7h s PRO 105 CO 0.00 -0.45 1.31 0.00 0.04 0.00 0.00 177.00 177.89 1j7h n ALA 106 N -2.43 1.41 -2.81 8.56 0.00 0.21 -4.61 120.51 120.85 1j7h n ALA 106 Ca 0.03 0.33 -0.36 0.00 0.00 0.00 0.00 53.44 53.44 1j7h n ALA 106 Cb 0.56 -2.28 -0.07 0.00 0.00 0.00 0.00 19.45 17.66 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 -2.00 3.42 -0.38 0.00 3.52 -1.26 0.55 118.95 122.81 1j7h s ARG 107 Ca 0.57 -0.22 0.12 0.00 -0.13 0.00 0.00 55.73 56.06 1j7h s ARG 107 Cb -0.54 -3.11 0.38 0.00 -1.56 0.00 0.00 34.95 30.13 1j7h s ARG 107 CO 0.61 0.68 1.00 0.45 -0.81 0.00 0.00 175.30 177.24 1j7h n SER 108 N 2.26 -0.21 -4.85 -2.12 2.88 -1.04 -4.96 113.62 105.58 1j7h n SER 108 Ca -0.19 -2.96 -0.29 0.00 -1.33 0.00 0.00 58.87 54.09 1j7h n SER 108 Cb 0.54 0.27 -0.05 0.00 -0.75 0.00 0.00 64.21 64.22 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 -1.53 0.03 -0.83 0.00 -7.23 -1.05 -4.95 120.40 104.85 1j7h s VAL 110 Ca 0.32 -0.33 -0.21 0.00 -1.81 0.00 0.00 61.98 59.95 1j7h s VAL 110 Cb -0.12 -1.13 0.09 0.00 0.56 0.00 0.00 36.38 35.78 1j7h s VAL 110 CO 0.25 -0.15 1.13 -0.70 -0.31 0.00 0.00 175.10 175.32 1j7h s GLU 111 N -3.79 3.40 0.84 4.82 2.12 -1.26 -1.23 118.70 123.60 1j7h s GLU 111 Ca 0.03 -1.24 -0.13 0.00 0.36 0.00 0.00 54.97 53.99 1j7h s GLU 111 Cb 0.00 -4.69 0.10 0.00 0.26 0.00 0.00 34.13 29.80 1j7h s GLU 111 CO -0.11 -1.88 1.20 0.14 -0.54 0.00 0.00 175.26 174.07 1j7h s VAL 112 N 3.72 2.00 -0.17 3.70 -7.23 0.52 -4.96 120.40 117.97 1j7h s VAL 112 Ca 0.31 0.00 -0.26 0.00 -1.81 0.00 0.00 61.98 60.22 1j7h s VAL 112 Cb -0.09 -2.99 -0.23 0.00 0.56 0.00 0.00 36.38 33.63 1j7h s VAL 112 CO -0.01 0.00 0.52 0.00 -0.31 0.00 0.00 175.10 175.30 1j7h h ALA 113 N -1.16 0.12 -2.75 1.32 0.00 -1.95 -3.40 119.26 111.44 1j7h h ALA 113 Ca -0.46 -0.82 -0.17 0.00 0.00 0.00 0.00 54.91 53.46 1j7h h ALA 113 Cb 1.32 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 19.32 1j7h h ALA 113 CO 0.62 0.32 -0.34 0.50 0.00 0.00 0.00 179.25 180.34 1j7h s ARG 114 N -2.28 1.46 0.07 0.00 3.52 -1.26 -4.97 118.95 115.48 1j7h s ARG 114 Ca -0.23 -1.49 -0.05 0.00 -0.13 0.00 0.00 55.73 53.82 1j7h s ARG 114 Cb 0.01 0.38 -0.02 0.00 -1.56 0.00 0.00 34.95 33.76 1j7h s ARG 114 CO 0.65 -0.56 0.08 -0.51 -0.81 0.00 0.00 175.30 174.15 1j7h s LEU 115 N -3.12 1.95 0.22 -0.88 1.43 -1.26 -5.06 118.68 111.96 1j7h s LEU 115 Ca 0.31 -0.83 -0.31 0.00 -1.03 0.00 0.00 54.13 52.27 1j7h s LEU 115 Cb 0.03 0.62 -0.15 0.00 0.03 0.00 0.00 46.19 46.72 1j7h s LEU 115 CO 0.12 -0.67 1.20 -2.65 0.23 0.00 0.00 176.35 174.59 1j7h n PRO 116 N 0.02 1.49 -1.20 1.29 -0.02 -1.26 -0.68 135.00 134.65 1j7h n PRO 116 Ca -0.14 0.53 -0.07 0.00 -2.02 0.00 0.00 63.50 61.80 1j7h n PRO 116 Cb 0.62 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 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 1.57 -0.90 -1.35 -0.52 4.01 -1.26 -2.42 118.16 117.29 1j7h n LYS 117 Ca 0.12 0.64 -0.12 0.00 -0.51 0.00 0.00 58.31 58.45 1j7h n LYS 117 Cb 0.29 -4.55 -0.05 0.00 -0.51 0.00 0.00 35.03 30.20 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 -0.11 -5.32 -4.25 4.39 8.00 0.15 -4.85 116.55 114.56 1j7h n ASP 118 Ca -0.07 0.30 -0.31 0.00 0.71 0.00 0.00 54.79 55.42 1j7h n ASP 118 Cb 0.33 -3.87 0.19 0.00 -0.02 0.00 0.00 41.12 37.75 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 -2.36 0.00 0.91 2.53 0.24 -1.02 -4.83 118.33 113.80 1j7h n VAL 119 Ca -0.12 -0.31 0.10 0.00 -2.04 0.00 0.00 64.34 61.97 1j7h n VAL 119 Cb 0.54 -0.66 0.03 0.00 -1.47 0.00 0.00 33.84 32.28 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 1.94 0.30 3.63 7.63 0.00 -1.26 -4.32 105.19 113.10 1j7h n GLY 120 Ca 0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.39 1j7h n GLY 120 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j7h s LEU 121 N -2.13 -0.14 0.33 0.99 0.05 -1.26 -3.13 118.68 113.39 1j7h s LEU 121 Ca 0.20 0.17 0.10 0.00 0.05 0.00 0.00 54.13 54.65 1j7h s LEU 121 Cb 0.17 1.31 -0.06 0.00 -2.05 0.00 0.00 46.19 45.56 1j7h s LEU 121 CO 0.42 -0.11 -0.12 -0.70 -0.55 0.00 0.00 176.35 175.29 1j7h s GLU 122 N -0.87 1.79 -0.02 1.48 2.12 -0.67 -4.10 118.70 118.43 1j7h s GLU 122 Ca 0.06 -1.89 0.00 0.00 0.36 0.00 0.00 54.97 53.50 1j7h s GLU 122 Cb -0.01 -1.73 0.03 0.00 0.26 0.00 0.00 34.13 32.68 1j7h s GLU 122 CO -0.06 0.19 0.03 0.42 -0.54 0.00 0.00 175.26 175.30 1j7h s ILE 123 N -2.58 -0.03 -0.22 -3.70 -1.09 0.12 -2.96 121.20 110.73 1j7h s ILE 123 Ca 0.32 0.21 -0.07 0.00 -2.23 0.00 0.00 60.65 58.87 1j7h s ILE 123 Cb 0.00 -0.10 0.10 0.00 -1.58 0.00 0.00 42.46 40.89 1j7h s ILE 123 CO 0.16 0.10 0.47 -1.83 -1.23 0.00 0.00 174.94 172.60 1j7h s GLU 124 N 1.08 0.38 0.15 2.79 -1.05 -0.72 0.11 118.70 121.44 1j7h s GLU 124 Ca -0.09 1.08 0.03 0.00 -0.15 0.00 0.00 54.97 55.84 1j7h s GLU 124 Cb -0.13 0.39 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 1j7h s GLU 124 CO -0.03 -0.28 -0.05 0.00 0.95 0.00 0.00 175.26 175.86 1j7h s ALA 125 N 2.67 1.31 0.11 -0.84 0.00 -1.26 0.29 121.76 124.04 1j7h s ALA 125 Ca -0.01 -1.51 0.07 0.00 0.00 0.00 0.00 51.96 50.51 1j7h s ALA 125 Cb -0.12 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1j7h s ALA 125 CO -0.14 -0.22 -0.07 0.42 0.00 0.00 0.00 175.76 175.74 1j7h s ILE 126 N -3.53 3.53 0.17 0.00 -1.09 -0.77 -1.76 121.20 117.75 1j7h s ILE 126 Ca 0.19 -1.25 0.07 0.00 -2.23 0.00 0.00 60.65 57.43 1j7h s ILE 126 Cb 0.05 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 1j7h s ILE 126 CO 0.01 0.08 -0.15 0.00 -1.23 0.00 0.00 174.94 173.65 1j7h s ALA 127 N -1.31 1.84 -0.15 9.38 0.00 0.21 -1.54 121.76 130.19 1j7h s ALA 127 Ca 0.23 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 50.66 1j7h s ALA 127 Cb -0.11 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 22.96 1j7h s ALA 127 CO 0.15 0.09 -0.05 0.14 0.00 0.00 0.00 175.76 176.10 1j7h s VAL 128 N -2.64 1.00 -0.65 0.00 -7.23 -0.43 -0.52 120.40 109.93 1j7h s VAL 128 Ca 0.17 -0.49 0.06 0.00 -1.81 0.00 0.00 61.98 59.91 1j7h s VAL 128 Cb -0.02 -1.16 0.24 0.00 0.56 0.00 0.00 36.38 36.00 1j7h s VAL 128 CO 0.05 0.17 0.73 -1.14 -0.31 0.00 0.00 175.10 174.60 1j7h n ARG 129 N 4.92 2.47 0.00 4.82 0.63 0.54 -4.83 116.66 125.22 1j7h n ARG 129 Ca -0.11 -4.66 0.00 0.00 -0.92 0.00 0.00 57.85 52.16 1j7h n ARG 129 Cb 0.48 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.13 1j7h n ARG 129 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48