#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 1.70 0.15 0.03 -2.45 -1.26 -5.10 119.30 112.37 1j7h s MET 2 Ca 0.00 -1.65 0.00 0.00 -1.25 0.00 0.00 55.69 52.79 1j7h s MET 2 Cb 0.00 0.41 0.00 0.00 1.25 0.00 0.00 34.83 36.49 1j7h s MET 2 CO 0.00 -0.68 0.00 2.41 1.05 0.00 0.00 175.02 177.80 1j7h n THR 3 N -0.48-12.78 -3.66 10.11 -1.04 -1.24 -5.06 114.28 100.12 1j7h n THR 3 Ca 0.01 3.14 -0.10 0.00 -2.04 0.00 0.00 64.05 65.06 1j7h n THR 3 Cb 0.62 -5.47 -0.11 0.00 -1.82 0.00 0.00 70.33 63.56 1j7h n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j7h s GLN 4 N -0.79 0.28 0.39 -2.82 -2.07 0.22 -4.99 119.66 109.88 1j7h s GLN 4 Ca 0.00 0.93 -0.26 0.00 -1.82 0.00 0.00 55.36 54.21 1j7h s GLN 4 Cb 0.00 0.20 -0.11 0.00 -1.09 0.00 0.00 33.01 32.01 1j7h s GLN 4 CO 0.00 -0.25 1.27 -0.89 -1.32 0.00 0.00 175.29 174.10 1j7h n ILE 5 N 5.27 2.34 -3.49 3.63 -0.00 -1.26 -1.88 119.36 123.96 1j7h n ILE 5 Ca -0.09 -0.50 -0.34 0.00 -0.00 0.00 0.00 62.75 61.82 1j7h n ILE 5 Cb 0.50 -1.56 -0.05 0.00 -0.00 0.00 0.00 39.64 38.52 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 -1.16 5.00 -0.20 1.39 1.01 0.24 -4.81 121.20 122.67 1j7h s ILE 6 Ca 0.59 0.52 -0.06 0.00 0.00 0.00 0.00 60.65 61.71 1j7h s ILE 6 Cb -0.53 -3.66 0.10 0.00 0.01 0.00 0.00 42.46 38.38 1j7h s ILE 6 CO 0.60 0.19 0.39 -1.00 0.00 0.00 0.00 174.94 175.11 1j7h s HIS 7 N -1.52 -0.76 0.20 3.97 3.76 -1.26 -3.38 115.29 116.30 1j7h s HIS 7 Ca 0.38 1.27 0.06 0.00 -0.15 0.00 0.00 55.06 56.62 1j7h s HIS 7 Cb -0.14 0.19 -0.05 0.00 1.11 0.00 0.00 32.58 33.69 1j7h s HIS 7 CO 0.20 -0.53 -0.09 -0.08 -0.85 0.00 0.00 174.74 173.38 1j7h s THR 8 N 2.57 1.37 -0.36 1.30 -1.32 -1.26 -5.04 115.64 112.91 1j7h s THR 8 Ca 0.03 -2.11 0.08 0.00 -1.21 0.00 0.00 61.69 58.48 1j7h s THR 8 Cb -0.13 -2.07 0.67 0.00 -1.51 0.00 0.00 72.50 69.46 1j7h s THR 8 CO -0.13 -0.57 1.71 1.21 -2.21 0.00 0.00 174.62 174.63 1j7h n GLU 9 N -0.34 3.33 -0.12 7.08 2.13 -1.26 -4.32 120.64 127.15 1j7h n GLU 9 Ca -0.08 -2.74 -0.24 0.00 0.66 0.00 0.00 57.16 54.76 1j7h n GLU 9 Cb 0.61 -2.12 -0.08 0.00 0.27 0.00 0.00 31.44 30.13 1j7h n GLU 9 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1j7h n LYS 10 N -0.18 0.54 -2.71 5.31 3.00 -1.26 -4.90 118.16 117.96 1j7h n LYS 10 Ca 0.38 0.23 -0.43 0.00 -0.00 0.00 0.00 58.31 58.50 1j7h n LYS 10 Cb 1.31 -1.41 -0.03 0.00 0.00 0.00 0.00 35.03 34.91 1j7h n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j7h s ALA 11 N -2.55 3.32 0.01 3.14 0.00 -1.26 -4.90 121.76 119.52 1j7h s ALA 11 Ca -0.34 -0.42 0.28 0.00 0.00 0.00 0.00 51.96 51.47 1j7h s ALA 11 Cb 0.12 -3.70 1.48 0.00 0.00 0.00 0.00 23.12 21.03 1j7h s ALA 11 CO 0.44 -1.85 1.85 -1.35 0.00 0.00 0.00 175.76 174.85 1j7h h PRO 12 N 8.72 0.00 0.00 0.00 0.11 -1.91 -3.43 132.00 135.48 1j7h h PRO 12 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1j7h h PRO 12 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1j7h h PRO 12 CO 1.05 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.84 1j7h n ALA 13 N -1.86 0.00 -0.82 -0.75 0.00 -1.26 -4.84 120.51 110.98 1j7h n ALA 13 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1j7h n ALA 13 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.59 0.00 -1.04 0.00 0.00 -1.26 -4.93 120.51 110.69 1j7h n ALA 14 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1j7h n ALA 14 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.22 0.00 0.00 0.00 2.08 -1.26 -4.98 119.36 113.97 1j7h n ILE 15 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1j7h n ILE 15 Cb 0.00 -0.45 0.00 0.00 -0.75 0.00 0.00 39.64 38.44 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 -2.73 4.28 1.06 7.39 0.00 -1.26 -4.99 105.19 108.93 1j7h n GLY 16 Ca -0.01 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.23 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 1.91 -1.13 1.61 -0.04 -1.26 -4.87 135.00 131.22 1j7h n PRO 17 Ca 0.00 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1j7h n PRO 17 Cb 0.00 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 0.13 -0.62 -4.55 0.54 4.11 -1.26 -5.19 117.16 110.32 1j7h n TYR 18 Ca 0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.76 1j7h n TYR 18 Cb 0.63 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.87 1j7h n TYR 18 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 1j7h s VAL 19 N -2.67 1.35 0.00 -3.48 -7.23 -1.26 -4.33 120.40 102.77 1j7h s VAL 19 Ca 0.00 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.93 1j7h s VAL 19 Cb 0.00 -2.71 -0.16 0.00 0.56 0.00 0.00 36.38 34.07 1j7h s VAL 19 CO 0.00 0.00 1.17 1.56 -0.31 0.00 0.00 175.10 177.52 1j7h h GLN 20 N 1.86 -0.42 -3.21 4.82 4.20 -1.93 -3.44 115.11 117.00 1j7h h GLN 20 Ca -0.41 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.26 1j7h h GLN 20 Cb 1.26 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 1j7h h GLN 20 CO 0.72 -0.09 0.19 0.00 -0.67 0.00 0.00 178.83 178.97 1j7h s ALA 21 N -4.68 -0.48 -0.04 3.87 0.00 -1.22 -2.78 121.76 116.43 1j7h s ALA 21 Ca -0.14 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1j7h s ALA 21 Cb 0.02 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1j7h s ALA 21 CO 0.52 -0.95 -0.14 0.14 0.00 0.00 0.00 175.76 175.32 1j7h s VAL 22 N -2.49 1.22 -0.43 0.00 -7.23 -1.03 -0.59 120.40 109.85 1j7h s VAL 22 Ca 0.18 -0.59 0.02 0.00 -1.81 0.00 0.00 61.98 59.78 1j7h s VAL 22 Cb -0.04 -1.07 0.12 0.00 0.56 0.00 0.00 36.38 35.94 1j7h s VAL 22 CO 0.13 0.36 0.18 -0.62 -0.31 0.00 0.00 175.10 174.84 1j7h s ASP 23 N 0.20 4.80 0.47 4.85 -1.08 -0.79 -2.00 116.67 123.12 1j7h s ASP 23 Ca -0.06 -2.44 0.26 0.00 -0.52 0.00 0.00 52.55 49.79 1j7h s ASP 23 Cb -0.12 -1.70 0.70 0.00 -1.46 0.00 0.00 42.92 40.34 1j7h s ASP 23 CO 0.02 -0.37 1.74 -0.07 0.52 0.00 0.00 175.17 177.01 1j7h h LEU 24 N 7.34 0.00 0.00 -1.34 3.38 -1.80 0.65 115.31 123.53 1j7h h LEU 24 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1j7h h LEU 24 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1j7h h LEU 24 CO 0.62 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.79 1j7h n GLY 25 N 0.71 1.17 0.27 0.83 0.00 -1.26 -3.71 105.19 103.20 1j7h n GLY 25 Ca 0.03 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.10 1.61 2.35 -1.95 -3.39 115.58 111.09 1j7h h ASN 26 Ca 0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 1j7h h ASN 26 Cb 0.00 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 38.01 1j7h h ASN 26 CO 0.00 0.00 -0.84 -0.76 -1.65 0.00 0.00 177.43 174.18 1j7h s LEU 27 N -8.93 1.82 0.38 1.61 1.02 -1.26 0.12 118.68 113.43 1j7h s LEU 27 Ca -0.05 -0.53 0.08 0.00 0.02 0.00 0.00 54.13 53.64 1j7h s LEU 27 Cb 0.17 -1.27 -0.04 0.00 0.02 0.00 0.00 46.19 45.07 1j7h s LEU 27 CO 0.66 -0.04 0.21 0.68 0.02 0.00 0.00 176.35 177.88 1j7h s VAL 28 N 1.42 2.76 0.05 -1.59 -7.23 0.26 -2.92 120.40 113.15 1j7h s VAL 28 Ca 0.05 -1.61 -0.15 0.00 -1.81 0.00 0.00 61.98 58.46 1j7h s VAL 28 Cb -0.13 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 33.84 1j7h s VAL 28 CO -0.11 -0.09 0.33 -0.76 -0.31 0.00 0.00 175.10 174.16 1j7h s LEU 29 N -3.93 0.75 -0.06 1.32 1.02 -0.85 -0.55 118.68 116.39 1j7h s LEU 29 Ca 0.41 -0.17 0.05 0.00 0.02 0.00 0.00 54.13 54.44 1j7h s LEU 29 Cb -0.01 1.46 -0.02 0.00 0.02 0.00 0.00 46.19 47.65 1j7h s LEU 29 CO 0.24 -0.65 -0.20 0.42 0.02 0.00 0.00 176.35 176.18 1j7h s THR 30 N -2.65 2.48 0.96 5.49 -4.23 0.71 -2.46 115.64 115.93 1j7h s THR 30 Ca -0.04 -0.92 -0.12 0.00 -1.18 0.00 0.00 61.69 59.43 1j7h s THR 30 Cb -0.00 -1.94 0.17 0.00 1.34 0.00 0.00 72.50 72.06 1j7h s THR 30 CO -0.04 0.57 1.09 -0.44 -0.54 0.00 0.00 174.62 175.26 1j7h s SER 31 N -0.26 2.89 -1.05 3.99 0.01 -1.12 -3.80 113.70 114.35 1j7h s SER 31 Ca 0.00 1.39 -0.26 0.00 1.31 0.00 0.00 55.95 58.39 1j7h s SER 31 Cb -0.13 -2.07 -0.19 0.00 0.21 0.00 0.00 66.02 63.85 1j7h s SER 31 CO 0.03 -2.99 2.13 -0.83 0.41 0.00 0.00 173.24 171.98 1j7h s GLY 32 N -3.33 -0.87 0.39 3.44 0.00 -1.24 -4.36 107.32 101.34 1j7h s GLY 32 Ca 0.65 -1.47 -0.24 0.00 0.00 0.00 0.00 44.72 43.65 1j7h s GLY 32 CO 0.58 4.16 1.02 1.20 0.00 0.00 0.00 173.10 180.06 1j7h s GLN 33 N 8.21 4.25 0.19 2.90 -1.52 0.30 -4.71 119.66 129.27 1j7h s GLN 33 Ca 0.81 1.45 0.06 0.00 -1.95 0.00 0.00 55.36 55.74 1j7h s GLN 33 Cb -0.06 -2.57 -0.05 0.00 -0.22 0.00 0.00 33.01 30.12 1j7h s GLN 33 CO 0.15 -0.06 -0.12 0.96 -0.25 0.00 0.00 175.29 175.97 1j7h s ILE 34 N -1.68 1.51 0.27 1.08 -4.36 -1.26 0.55 121.20 117.30 1j7h s ILE 34 Ca 0.57 -2.15 -0.05 0.00 -0.26 0.00 0.00 60.65 58.76 1j7h s ILE 34 Cb -0.21 -1.99 0.35 0.00 1.25 0.00 0.00 42.46 41.86 1j7h s ILE 34 CO 0.26 -0.63 1.60 -0.65 0.24 0.00 0.00 174.94 175.75 1j7h h PRO 35 N 2.63 0.05 -2.03 0.37 0.11 -1.82 -3.44 132.00 127.86 1j7h h PRO 35 Ca -0.38 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.58 1j7h h PRO 35 Cb 1.21 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1j7h h PRO 35 CO 0.63 0.03 -0.14 1.55 -0.21 0.00 0.00 178.00 179.86 1j7h n VAL 36 N -5.45 -0.05 -1.73 3.15 3.14 -1.08 -4.36 118.33 111.95 1j7h n VAL 36 Ca 0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.55 1j7h n VAL 36 Cb 0.56 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 1j7h n VAL 36 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1j7h n ASN 37 N -0.09 -8.82 -0.34 6.55 2.85 -1.25 -0.68 115.26 113.48 1j7h n ASN 37 Ca -0.07 1.29 0.29 0.00 -0.11 0.00 0.00 54.58 55.98 1j7h n ASN 37 Cb 0.28 -5.13 0.62 0.00 1.24 0.00 0.00 39.78 36.79 1j7h n ASN 37 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1j7h h PRO 38 N 1.93 0.21 0.00 1.20 0.13 -1.96 -3.31 132.00 130.20 1j7h h PRO 38 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1j7h h PRO 38 Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 1j7h h PRO 38 CO 0.00 0.14 0.00 0.00 -0.23 0.00 0.00 178.00 177.91 1j7h n ALA 39 N -2.59 1.72 0.14 -0.56 0.00 -1.26 -4.92 120.51 113.04 1j7h n ALA 39 Ca 0.27 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.78 1j7h n ALA 39 Cb 1.09 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.44 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 0.00 0.00 -2.94 0.00 -1.04 -1.25 -5.02 114.28 104.04 1j7h n THR 40 Ca 0.00 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.05 61.61 1j7h n THR 40 Cb 0.48 0.37 0.04 0.00 -1.82 0.00 0.00 70.33 69.41 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 1.62 0.16 0.00 3.41 0.00 0.15 -4.94 105.19 105.58 1j7h n GLY 41 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.68 0.00 0.00 1.61 0.28 -0.19 -4.85 120.64 114.82 1j7h n GLU 42 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1j7h n GLU 42 Cb 0.55 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.42 1j7h n GLU 42 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1j7h n VAL 43 N -0.67 0.00 -2.27 3.84 3.14 -1.26 -2.63 118.33 118.48 1j7h n VAL 43 Ca 0.00 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 1j7h n VAL 43 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 1j7h n VAL 43 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1j7h s PRO 44 N 0.00 4.08 0.22 1.45 0.02 -1.26 -4.69 135.00 134.82 1j7h s PRO 44 Ca 0.00 1.89 0.06 0.00 0.02 0.00 0.00 61.00 62.97 1j7h s PRO 44 Cb 0.00 -2.72 0.20 0.00 0.02 0.00 0.00 34.50 31.99 1j7h s PRO 44 CO 0.00 -0.31 1.52 0.00 -0.33 0.00 0.00 177.00 177.88 1j7h h ALA 45 N 2.72 0.79 -1.17 -1.55 0.00 -2.01 -3.42 119.26 114.62 1j7h h ALA 45 Ca -0.49 -0.61 -0.40 0.00 0.00 0.00 0.00 54.91 53.41 1j7h h ALA 45 Cb 1.23 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1j7h h ALA 45 CO 0.63 0.82 1.09 0.34 0.00 0.00 0.00 179.25 182.13 1j7h s ASP 46 N -6.88 5.06 0.51 0.00 -1.08 -1.26 -4.81 116.67 108.22 1j7h s ASP 46 Ca -0.02 0.05 0.41 0.00 -0.52 0.00 0.00 52.55 52.47 1j7h s ASP 46 Cb 0.12 -2.54 1.60 0.00 -1.46 0.00 0.00 42.92 40.64 1j7h s ASP 46 CO 0.79 -2.64 1.63 -0.29 0.52 0.00 0.00 175.17 175.18 1j7h h ILE 47 N 7.14 0.11 0.01 4.11 6.09 -1.97 1.26 117.51 134.25 1j7h h ILE 47 Ca -0.12 -0.01 -0.00 0.00 -1.37 0.00 0.00 64.86 63.36 1j7h h ILE 47 Cb 1.11 0.07 0.00 0.00 0.47 0.00 0.00 36.82 38.47 1j7h h ILE 47 CO 1.20 0.01 -0.01 0.58 -3.07 0.00 0.00 178.15 176.86 1j7h h VAL 48 N 0.03 1.33 0.00 2.19 2.07 -1.95 -1.76 116.25 118.16 1j7h h VAL 48 Ca 0.84 -1.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 1j7h h VAL 48 Cb 3.13 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 35.38 1j7h h VAL 48 CO -0.16 0.44 -0.14 0.00 0.02 0.00 0.00 177.57 177.73 1j7h h ALA 49 N -0.21 1.62 0.00 1.67 0.00 -0.93 -0.97 119.26 120.44 1j7h h ALA 49 Ca -0.00 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1j7h h ALA 49 Cb 0.73 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1j7h h ALA 49 CO 0.00 0.18 -0.86 0.37 0.00 0.00 0.00 179.25 178.94 1j7h h GLN 50 N 0.00 0.00 0.01 0.00 -0.00 0.13 -2.63 115.11 112.63 1j7h h GLN 50 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.42 1j7h h GLN 50 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.76 1j7h h GLN 50 CO 0.02 0.86 -0.97 0.00 0.00 0.00 0.00 178.83 178.74 1j7h h ALA 51 N 1.14 0.35 -0.08 3.38 0.00 -0.33 -3.04 119.26 120.68 1j7h h ALA 51 Ca -0.01 -0.73 -0.20 0.00 0.00 0.00 0.00 54.91 53.97 1j7h h ALA 51 Cb 1.65 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.43 1j7h h ALA 51 CO 0.11 0.84 -0.73 0.00 0.00 0.00 0.00 179.25 179.47 1j7h h ARG 52 N 0.21 0.63 -0.66 0.00 3.08 -1.28 -3.13 114.38 113.23 1j7h h ARG 52 Ca -0.08 -0.58 0.04 0.00 0.07 0.00 0.00 59.98 59.42 1j7h h ARG 52 Cb 1.61 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.76 1j7h h ARG 52 CO 0.17 1.19 0.40 0.37 -1.07 0.00 0.00 179.97 181.03 1j7h h GLN 53 N 0.28 0.75 -0.65 0.04 5.75 -1.55 -0.96 115.11 118.77 1j7h h GLN 53 Ca -0.07 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1j7h h GLN 53 Cb 1.39 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.73 1j7h h GLN 53 CO 0.15 0.50 0.42 0.77 -2.65 0.00 0.00 178.83 178.02 1j7h h SER 54 N 0.77 0.72 -0.18 -0.69 0.02 -1.58 -1.10 113.55 111.51 1j7h h SER 54 Ca 0.27 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.12 1j7h h SER 54 Cb 0.06 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1j7h h SER 54 CO -0.12 0.51 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.85 1j7h h LEU 55 N 0.85 0.58 -0.63 5.07 3.38 -1.37 -2.74 115.31 120.45 1j7h h LEU 55 Ca 0.25 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1j7h h LEU 55 Cb -0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1j7h h LEU 55 CO -0.07 0.75 -0.22 -0.33 0.09 0.00 0.00 178.44 178.66 1j7h h GLU 56 N 0.53 0.85 -0.46 1.13 5.08 -0.58 -2.25 114.58 118.87 1j7h h GLU 56 Ca 0.09 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 1j7h h GLU 56 Cb 0.58 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1j7h h GLU 56 CO 0.04 0.98 0.02 -0.91 -1.00 0.00 0.00 179.01 178.14 1j7h h ASN 57 N 0.74 0.70 -0.12 1.42 -0.26 -1.00 0.54 115.58 117.60 1j7h h ASN 57 Ca 0.10 -0.15 -0.05 0.00 -0.56 0.00 0.00 56.30 55.64 1j7h h ASN 57 Cb 0.75 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1j7h h ASN 57 CO 0.06 0.75 -0.12 0.58 -1.06 0.00 0.00 177.43 177.64 1j7h h VAL 58 N 0.70 1.36 -0.03 2.81 2.07 -1.33 -2.87 116.25 118.95 1j7h h VAL 58 Ca 0.14 -1.28 -0.14 0.00 0.82 0.00 0.00 66.70 66.24 1j7h h VAL 58 Cb 0.39 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1j7h h VAL 58 CO 0.01 0.37 -0.63 0.07 0.02 0.00 0.00 177.57 177.41 1j7h h LYS 59 N -0.11 0.12 -0.92 1.57 2.10 -1.28 -3.09 116.57 114.95 1j7h h LYS 59 Ca 0.02 -0.08 0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1j7h h LYS 59 Cb 0.64 0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 31.94 1j7h h LYS 59 CO 0.03 0.71 0.60 0.00 -2.00 0.00 0.00 179.45 178.79 1j7h h ALA 60 N 1.27 1.17 0.50 0.07 0.00 0.11 0.71 119.26 123.08 1j7h h ALA 60 Ca -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1j7h h ALA 60 Cb 1.13 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1j7h h ALA 60 CO 0.09 0.58 -0.24 0.82 0.00 0.00 0.00 179.25 180.50 1j7h h ILE 61 N 1.26 0.40 0.00 0.00 2.04 -1.45 0.13 117.51 119.89 1j7h h ILE 61 Ca 0.34 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1j7h h ILE 61 Cb -0.13 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1j7h h ILE 61 CO -0.07 0.05 -0.12 -0.29 0.00 0.00 0.00 178.15 177.72 1j7h h ILE 62 N -0.94 0.71 -0.06 -0.67 2.10 -1.45 -1.59 117.51 115.60 1j7h h ILE 62 Ca -0.07 -0.48 -0.25 0.00 1.08 0.00 0.00 64.86 65.14 1j7h h ILE 62 Cb 0.60 1.29 0.02 0.00 -1.09 0.00 0.00 36.82 37.64 1j7h h ILE 62 CO 0.11 0.12 -0.94 -0.08 -1.08 0.00 0.00 178.15 176.28 1j7h h GLU 63 N 0.00 0.74 0.00 2.19 4.22 0.60 -2.09 114.58 120.24 1j7h h GLU 63 Ca -0.00 -0.72 0.00 0.00 0.08 0.00 0.00 59.36 58.72 1j7h h GLU 63 Cb 0.28 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1j7h h GLU 63 CO 0.02 1.30 0.00 1.17 -2.18 0.00 0.00 179.01 179.32 1j7h n LYS 64 N -3.90 0.04 -0.01 1.92 0.00 0.46 -2.88 118.16 113.78 1j7h n LYS 64 Ca -0.10 0.15 -0.08 0.00 0.00 0.00 0.00 58.31 58.28 1j7h n LYS 64 Cb 0.83 -1.56 -0.13 0.00 0.00 0.00 0.00 35.03 34.17 1j7h n LYS 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j7h h ALA 65 N 2.71 0.75 0.00 3.14 0.00 -1.19 -3.49 119.26 121.19 1j7h h ALA 65 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 54.91 53.51 1j7h h ALA 65 Cb 0.42 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1j7h h ALA 65 CO 0.00 1.52 0.00 0.41 0.00 0.00 0.00 179.25 181.18 1j7h n GLY 66 N 1.53 0.82 0.00 0.00 0.00 -1.05 -5.10 105.19 101.39 1j7h n GLY 66 Ca -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.99 0.99 4.77 -0.81 -5.03 117.00 112.93 1j7h n LEU 67 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1j7h n LEU 67 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1j7h n LEU 67 CO 0.00 0.00 -0.24 -0.89 -1.33 0.00 0.00 177.39 174.93 1j7h s THR 68 N -2.39 0.18 0.42 -5.08 2.01 -1.26 -4.51 115.64 105.02 1j7h s THR 68 Ca 0.00 -1.53 0.08 0.00 0.31 0.00 0.00 61.69 60.55 1j7h s THR 68 Cb 0.00 -1.45 0.27 0.00 0.01 0.00 0.00 72.50 71.33 1j7h s THR 68 CO 0.00 -0.84 2.07 0.00 -0.69 0.00 0.00 174.62 175.16 1j7h h ALA 69 N 2.97 1.75 0.00 7.40 0.00 -1.94 -0.69 119.26 128.75 1j7h h ALA 69 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1j7h h ALA 69 Cb 1.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1j7h h ALA 69 CO 0.62 0.23 0.00 0.00 0.00 0.00 0.00 179.25 180.10 1j7h h ALA 70 N 1.78 1.00 0.00 0.00 0.00 -1.74 -0.85 119.26 119.44 1j7h h ALA 70 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1j7h h ALA 70 Cb -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1j7h h ALA 70 CO -0.03 0.00 -0.91 -0.44 0.00 0.00 0.00 179.25 177.87 1j7h h ASP 71 N 0.00 0.00 -1.85 0.00 3.32 -1.41 -3.46 116.42 113.02 1j7h h ASP 71 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1j7h h ASP 71 Cb 0.12 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.68 1j7h h ASP 71 CO 0.00 0.46 1.12 -0.38 -1.72 0.00 0.00 179.24 178.72 1j7h n ILE 72 N -3.02 0.49 0.01 0.35 5.41 -0.33 -2.29 119.36 119.98 1j7h n ILE 72 Ca -0.03 -0.13 -0.18 0.00 1.00 0.00 0.00 62.75 63.41 1j7h n ILE 72 Cb 0.75 -1.78 -0.14 0.00 -0.71 0.00 0.00 39.64 37.76 1j7h n ILE 72 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 1j7h h VAL 73 N 5.68 0.75 -3.84 1.39 -1.51 -1.62 -3.37 116.25 113.74 1j7h h VAL 73 Ca -0.46 -2.49 -0.17 0.00 -1.23 0.00 0.00 66.70 62.36 1j7h h VAL 73 Cb 1.28 2.53 -0.21 0.00 -2.13 0.00 0.00 31.29 32.76 1j7h h VAL 73 CO 0.96 0.79 -0.65 -0.75 -1.23 0.00 0.00 177.57 176.70 1j7h s LYS 74 N -2.58 0.34 -0.20 5.19 2.20 -1.19 0.59 119.74 124.09 1j7h s LYS 74 Ca -0.16 -0.51 -0.04 0.00 -0.36 0.00 0.00 55.97 54.89 1j7h s LYS 74 Cb 0.07 0.13 0.09 0.00 -1.51 0.00 0.00 37.83 36.61 1j7h s LYS 74 CO 0.80 -0.06 0.22 0.99 -0.36 0.00 0.00 175.35 176.93 1j7h s THR 75 N -1.34 -0.32 0.29 3.43 2.01 0.47 0.37 115.64 120.55 1j7h s THR 75 Ca -0.15 -0.10 -0.00 0.00 0.31 0.00 0.00 61.69 61.75 1j7h s THR 75 Cb -0.09 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1j7h s THR 75 CO -0.00 -0.20 0.49 -0.89 -0.69 0.00 0.00 174.62 173.33 1j7h s THR 76 N 2.32 5.13 -0.21 -0.82 2.01 -0.19 -3.25 115.64 120.64 1j7h s THR 76 Ca 0.07 -0.41 -0.25 0.00 0.31 0.00 0.00 61.69 61.40 1j7h s THR 76 Cb -0.16 -3.81 0.07 0.00 0.01 0.00 0.00 72.50 68.61 1j7h s THR 76 CO -0.12 -0.40 0.68 0.68 -0.69 0.00 0.00 174.62 174.77 1j7h s VAL 77 N -2.14 0.00 -0.22 3.82 -7.23 -1.19 -1.82 120.40 111.63 1j7h s VAL 77 Ca 0.40 -0.01 -0.03 0.00 -1.81 0.00 0.00 61.98 60.53 1j7h s VAL 77 Cb -0.10 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 35.88 1j7h s VAL 77 CO 0.33 -0.01 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.68 1j7h s PHE 78 N -0.02 2.94 0.12 2.82 0.08 -0.81 -2.18 117.98 120.93 1j7h s PHE 78 Ca -0.03 -1.18 0.05 0.00 0.12 0.00 0.00 56.93 55.89 1j7h s PHE 78 Cb -0.04 -2.06 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 1j7h s PHE 78 CO 0.03 -0.63 0.06 0.14 -0.10 0.00 0.00 175.22 174.72 1j7h s VAL 79 N 1.42 4.24 -2.91 -0.44 -7.23 -0.26 -1.42 120.40 113.80 1j7h s VAL 79 Ca 0.05 -1.03 0.23 0.00 -1.81 0.00 0.00 61.98 59.42 1j7h s VAL 79 Cb -0.14 -3.09 0.19 0.00 0.56 0.00 0.00 36.38 33.90 1j7h s VAL 79 CO -0.05 0.02 1.25 1.17 -0.31 0.00 0.00 175.10 177.17 1j7h n LYS 80 N 0.15 2.25 -3.15 4.82 4.81 -1.19 -1.17 118.16 124.68 1j7h n LYS 80 Ca -0.09 -1.91 0.04 0.00 -0.87 0.00 0.00 58.31 55.48 1j7h n LYS 80 Cb 0.53 -1.45 -0.01 0.00 0.02 0.00 0.00 35.03 34.12 1j7h n LYS 80 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1j7h s ASP 81 N -1.93 -1.21 0.23 3.14 1.47 -1.26 -4.97 116.67 112.13 1j7h s ASP 81 Ca 0.28 0.59 0.20 0.00 1.18 0.00 0.00 52.55 54.80 1j7h s ASP 81 Cb 0.20 1.95 0.93 0.00 -0.34 0.00 0.00 42.92 45.66 1j7h s ASP 81 CO 0.29 -0.23 1.62 0.18 0.68 0.00 0.00 175.17 177.71 1j7h n LEU 82 N 5.42 0.52 0.10 2.11 4.77 -1.26 -1.66 117.00 126.99 1j7h n LEU 82 Ca -0.00 0.67 -0.03 0.00 -0.03 0.00 0.00 56.01 56.62 1j7h n LEU 82 Cb 0.52 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1j7h n LEU 82 CO -0.02 -0.66 0.30 0.78 -1.33 0.00 0.00 177.39 176.46 1j7h h ASN 83 N 0.00 0.00 0.96 -1.43 2.35 -2.01 -3.14 115.58 112.30 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 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1j7h h ASN 83 CO 0.00 0.77 -0.26 0.47 -1.65 0.00 0.00 177.43 176.75 1j7h n ASP 84 N -3.31 0.46 0.27 5.81 8.00 -0.67 -3.68 116.55 123.44 1j7h n ASP 84 Ca 0.01 0.25 0.17 0.00 0.71 0.00 0.00 54.79 55.93 1j7h n ASP 84 Cb 0.84 -0.23 0.92 0.00 -0.02 0.00 0.00 41.12 42.62 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 -0.10 1.24 3.57 -1.49 -2.81 116.94 117.35 1j7h h PHE 85 Ca 0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1j7h h PHE 85 Cb 0.61 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 1j7h h PHE 85 CO 0.00 0.00 -0.39 0.00 -2.23 0.00 0.00 178.31 175.69 1j7h h ALA 86 N 1.89 -0.54 -0.41 2.41 0.00 -1.77 0.94 119.26 121.78 1j7h h ALA 86 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1j7h h ALA 86 Cb 0.19 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1j7h h ALA 86 CO -0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 179.25 178.23 1j7h h ALA 87 N 0.17 1.02 -0.56 0.00 0.00 -1.79 -1.64 119.26 116.46 1j7h h ALA 87 Ca 0.08 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1j7h h ALA 87 Cb 0.61 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1j7h h ALA 87 CO -0.36 0.59 0.12 0.28 0.00 0.00 0.00 179.25 179.88 1j7h h VAL 88 N 0.67 1.25 -0.48 0.00 2.07 -1.28 -1.97 116.25 116.51 1j7h h VAL 88 Ca 0.11 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 1j7h h VAL 88 Cb 0.59 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1j7h h VAL 88 CO 0.04 0.34 0.00 -1.13 0.02 0.00 0.00 177.57 176.84 1j7h h ASN 89 N 0.80 0.82 -0.59 0.57 -1.24 0.11 0.99 115.58 117.04 1j7h h ASN 89 Ca 0.17 -0.30 0.01 0.00 0.71 0.00 0.00 56.30 56.89 1j7h h ASN 89 Cb 0.37 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 1j7h h ASN 89 CO 0.01 0.92 0.39 0.00 -1.29 0.00 0.00 177.43 177.46 1j7h h ALA 90 N 0.92 1.59 0.00 1.57 0.00 -1.12 -2.02 119.26 120.21 1j7h h ALA 90 Ca 0.14 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 1j7h h ALA 90 Cb 0.50 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1j7h h ALA 90 CO 0.02 0.37 -1.60 0.93 0.00 0.00 0.00 179.25 178.97 1j7h h GLU 91 N 0.79 0.00 -0.14 0.00 4.39 -1.08 -3.08 114.58 115.46 1j7h h GLU 91 Ca 0.22 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.94 1j7h h GLU 91 Cb -0.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1j7h h GLU 91 CO -0.05 0.57 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.44 1j7h h TYR 92 N 0.00 -0.02 0.00 4.33 3.20 0.15 -1.66 116.97 122.97 1j7h h TYR 92 Ca -0.24 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.64 1j7h h TYR 92 Cb 1.98 0.03 0.00 0.00 1.54 0.00 0.00 36.73 40.28 1j7h h TYR 92 CO 0.00 -0.03 -0.21 1.49 -1.64 0.00 0.00 178.16 177.77 1j7h h GLU 93 N 0.04 0.00 0.00 1.82 4.81 -1.55 -3.18 114.58 116.52 1j7h h GLU 93 Ca 0.07 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 1j7h h GLU 93 Cb 0.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1j7h h GLU 93 CO -0.12 0.00 -0.60 0.00 -0.73 0.00 0.00 179.01 177.56 1j7h h ARG 94 N 0.00 0.00 0.06 1.92 3.08 -1.33 -3.13 114.38 114.98 1j7h h ARG 94 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1j7h h ARG 94 Cb 0.87 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 1j7h h ARG 94 CO 0.00 0.60 -1.55 0.27 -1.07 0.00 0.00 179.97 178.22 1j7h h PHE 95 N 0.00 0.23 0.29 3.04 -5.15 -1.37 -3.16 116.94 110.82 1j7h h PHE 95 Ca -0.01 -0.17 0.00 0.00 -0.20 0.00 0.00 57.97 57.60 1j7h h PHE 95 Cb 1.22 -0.01 -0.02 0.00 0.22 0.00 0.00 35.95 37.35 1j7h h PHE 95 CO 0.00 1.24 -0.31 0.74 -2.00 0.00 0.00 178.31 177.98 1j7h h PHE 96 N 0.03 -0.83 0.00 6.09 0.04 -1.56 0.64 116.94 121.35 1j7h h PHE 96 Ca -0.24 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.51 1j7h h PHE 96 Cb 1.98 0.33 -0.00 0.00 2.20 0.00 0.00 35.95 40.45 1j7h h PHE 96 CO 0.03 -0.44 -0.12 -0.22 -0.60 0.00 0.00 178.31 176.97 1j7h h LYS 97 N -0.64 0.00 -0.00 1.51 3.64 -1.69 0.45 116.57 119.84 1j7h h LYS 97 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1j7h h LYS 97 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1j7h h LYS 97 CO -0.08 0.12 -0.08 0.39 -2.27 0.00 0.00 179.45 177.53 1j7h n GLU 98 N -4.23 0.44 0.00 1.90 1.02 -0.43 -3.07 120.64 116.27 1j7h n GLU 98 Ca -0.03 -0.09 0.05 0.00 -0.02 0.00 0.00 57.16 57.07 1j7h n GLU 98 Cb 0.19 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 1j7h n GLU 98 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1j7h n ASN 99 N -1.20 1.12 -0.12 1.62 4.13 0.21 -4.99 115.26 116.04 1j7h n ASN 99 Ca 0.13 -1.06 0.00 0.00 1.68 0.00 0.00 54.58 55.33 1j7h n ASN 99 Cb 0.28 0.51 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 -0.34 -0.97 -3.25 6.41 4.13 0.14 -4.28 115.26 117.10 1j7h n ASN 100 Ca 0.04 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.05 1j7h n ASN 100 Cb 0.20 -0.36 -0.06 0.00 -1.54 0.00 0.00 39.78 38.01 1j7h n ASN 100 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1j7h n HIS 101 N -2.74 2.00 0.24 3.10 -0.00 0.12 -4.24 115.22 113.71 1j7h n HIS 101 Ca 0.00 -3.90 0.14 0.00 0.46 0.00 0.00 57.72 54.42 1j7h n HIS 101 Cb 0.36 -0.46 0.40 0.00 -0.12 0.00 0.00 29.99 30.17 1j7h n HIS 101 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1j7h h PRO 102 N 3.80 0.00 -0.29 1.57 0.11 -1.90 -3.15 132.00 132.14 1j7h h PRO 102 Ca 0.14 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.11 1j7h h PRO 102 Cb 0.74 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1j7h h PRO 102 CO 0.67 0.02 -0.36 -0.97 -0.21 0.00 0.00 178.00 177.15 1j7h h ASN 103 N 0.00 0.68 -4.01 -2.05 -1.24 -1.95 -3.49 115.58 103.52 1j7h h ASN 103 Ca -0.00 -0.29 0.00 0.00 0.71 0.00 0.00 56.30 56.72 1j7h h ASN 103 Cb 0.79 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.65 1j7h h ASN 103 CO 0.00 0.98 -0.30 0.49 -1.29 0.00 0.00 177.43 177.32 1j7h n PHE 104 N -4.05 -1.41 -2.65 0.67 3.72 -1.19 -5.02 117.46 107.53 1j7h n PHE 104 Ca -0.01 0.75 -0.24 0.00 -0.05 0.00 0.00 57.45 57.90 1j7h n PHE 104 Cb 0.50 -1.73 0.03 0.00 -0.94 0.00 0.00 39.48 37.34 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 -5.06 2.86 0.73 -1.08 0.04 -1.26 -4.99 135.00 126.24 1j7h s PRO 105 Ca 0.00 -0.34 -0.16 0.00 0.04 0.00 0.00 61.00 60.54 1j7h s PRO 105 Cb 0.00 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1j7h s PRO 105 CO 0.00 -0.57 0.43 0.00 0.04 0.00 0.00 177.00 176.89 1j7h n ALA 106 N -2.37 -1.84 -2.35 8.56 0.00 0.20 -4.54 120.51 118.17 1j7h n ALA 106 Ca 0.04 -0.27 -0.31 0.00 0.00 0.00 0.00 53.44 52.90 1j7h n ALA 106 Cb 0.58 -1.79 -0.15 0.00 0.00 0.00 0.00 19.45 18.09 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 -2.67 2.11 -0.31 0.00 6.06 -1.26 -0.39 118.95 122.48 1j7h s ARG 107 Ca 0.63 -0.93 0.18 0.00 -2.50 0.00 0.00 55.73 53.11 1j7h s ARG 107 Cb -0.34 -2.08 0.46 0.00 0.06 0.00 0.00 34.95 33.05 1j7h s ARG 107 CO 0.60 0.56 1.11 0.45 -2.50 0.00 0.00 175.30 175.52 1j7h n SER 108 N 2.27 0.81 -4.74 -2.12 2.88 -1.20 -4.98 113.62 106.54 1j7h n SER 108 Ca -0.16 -2.41 -0.41 0.00 -1.33 0.00 0.00 58.87 54.56 1j7h n SER 108 Cb 0.51 -0.21 -0.05 0.00 -0.75 0.00 0.00 64.21 63.72 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 -0.12 0.03 -0.95 0.00 -7.23 -0.93 -4.98 120.40 106.23 1j7h s VAL 110 Ca 0.44 -0.26 -0.21 0.00 -1.81 0.00 0.00 61.98 60.14 1j7h s VAL 110 Cb -0.23 -0.77 0.08 0.00 0.56 0.00 0.00 36.38 36.03 1j7h s VAL 110 CO 0.28 -0.14 1.28 -0.70 -0.31 0.00 0.00 175.10 175.51 1j7h s GLU 111 N -1.17 3.55 1.17 4.82 -6.30 -1.26 -1.10 118.70 118.40 1j7h s GLU 111 Ca -0.12 -1.33 -0.19 0.00 -2.50 0.00 0.00 54.97 50.84 1j7h s GLU 111 Cb -0.03 -5.06 0.27 0.00 0.00 0.00 0.00 34.13 29.32 1j7h s GLU 111 CO 0.06 -2.00 1.14 0.14 0.02 0.00 0.00 175.26 174.62 1j7h s VAL 112 N 4.01 1.66 -0.09 3.70 -7.23 -0.32 -4.94 120.40 117.19 1j7h s VAL 112 Ca 0.39 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 60.33 1j7h s VAL 112 Cb -0.03 -2.56 -0.29 0.00 0.56 0.00 0.00 36.38 34.06 1j7h s VAL 112 CO -0.07 0.00 0.76 0.00 -0.31 0.00 0.00 175.10 175.47 1j7h h ALA 113 N -2.45 0.00 -3.76 1.32 0.00 -1.95 -3.43 119.26 108.99 1j7h h ALA 113 Ca -0.45 -0.76 -0.21 0.00 0.00 0.00 0.00 54.91 53.48 1j7h h ALA 113 Cb 1.29 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 1j7h h ALA 113 CO 0.35 0.40 -0.03 -2.13 0.00 0.00 0.00 179.25 177.84 1j7h n ARG 114 N -4.21 0.82 -3.78 0.00 0.63 -1.26 -5.02 116.66 103.84 1j7h n ARG 114 Ca -0.16 -2.66 -0.11 0.00 -0.92 0.00 0.00 57.85 54.00 1j7h n ARG 114 Cb 0.75 2.73 -0.07 0.00 0.45 0.00 0.00 32.46 36.32 1j7h n ARG 114 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1j7h s LEU 115 N 0.00 1.00 0.30 6.15 1.43 -1.26 -5.05 118.68 121.25 1j7h s LEU 115 Ca 0.26 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.80 1j7h s LEU 115 Cb -0.02 1.27 -0.13 0.00 0.03 0.00 0.00 46.19 47.33 1j7h s LEU 115 CO 0.19 -0.63 1.15 -0.81 0.23 0.00 0.00 176.35 176.48 1j7h n PRO 116 N 0.50 1.67 -1.32 1.29 -0.04 -1.26 -1.05 135.00 134.80 1j7h n PRO 116 Ca -0.18 0.59 -0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1j7h n PRO 116 Cb 0.60 -2.06 -0.05 0.00 -0.04 0.00 0.00 33.50 31.95 1j7h n PRO 116 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1j7h n LYS 117 N 0.83 -1.07 -1.42 0.54 4.76 -1.26 -2.18 118.16 118.37 1j7h n LYS 117 Ca 0.08 0.85 -0.14 0.00 -2.87 0.00 0.00 58.31 56.23 1j7h n LYS 117 Cb 0.33 -4.93 -0.06 0.00 -1.84 0.00 0.00 35.03 28.53 1j7h n LYS 117 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1j7h n ASP 118 N -0.38 -5.43 -4.40 4.39 8.00 -0.21 -4.88 116.55 113.63 1j7h n ASP 118 Ca -0.11 0.36 -0.31 0.00 0.71 0.00 0.00 54.79 55.44 1j7h n ASP 118 Cb 0.44 -4.20 0.20 0.00 -0.02 0.00 0.00 41.12 37.54 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 -2.35 0.00 -0.12 2.53 0.24 -0.93 -4.86 118.33 112.84 1j7h n VAL 119 Ca -0.14 -0.32 0.08 0.00 -2.04 0.00 0.00 64.34 61.92 1j7h n VAL 119 Cb 0.59 -0.79 0.21 0.00 -1.47 0.00 0.00 33.84 32.38 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 1.45 2.29 3.58 7.63 0.00 -1.26 -4.35 105.19 114.53 1j7h n GLY 120 Ca 0.03 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.06 -0.23 0.06 0.99 1.43 -1.26 -3.15 118.68 115.46 1j7h s LEU 121 Ca 0.33 0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.52 1j7h s LEU 121 Cb 0.18 1.58 -0.02 0.00 0.03 0.00 0.00 46.19 47.96 1j7h s LEU 121 CO 0.23 -0.29 0.07 -0.70 0.23 0.00 0.00 176.35 175.90 1j7h s GLU 122 N -1.80 0.69 -0.02 1.70 2.12 -0.51 -4.10 118.70 116.78 1j7h s GLU 122 Ca 0.05 -1.04 -0.06 0.00 0.36 0.00 0.00 54.97 54.28 1j7h s GLU 122 Cb -0.01 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.65 1j7h s GLU 122 CO -0.04 -0.17 0.13 0.42 -0.54 0.00 0.00 175.26 175.06 1j7h s ILE 123 N -3.65 0.05 -0.29 -3.70 1.01 0.19 -1.93 121.20 112.88 1j7h s ILE 123 Ca 0.04 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.32 1j7h s ILE 123 Cb 0.05 -0.33 0.19 0.00 0.01 0.00 0.00 42.46 42.38 1j7h s ILE 123 CO -0.09 -0.23 0.57 -1.83 0.00 0.00 0.00 174.94 173.36 1j7h s GLU 124 N -0.77 0.55 0.33 2.79 -1.05 -0.75 0.11 118.70 119.89 1j7h s GLU 124 Ca -0.09 0.58 0.10 0.00 -0.15 0.00 0.00 54.97 55.41 1j7h s GLU 124 Cb -0.05 0.23 -0.06 0.00 -0.44 0.00 0.00 34.13 33.81 1j7h s GLU 124 CO 0.01 -0.98 -0.10 0.00 0.95 0.00 0.00 175.26 175.14 1j7h s ALA 125 N 2.80 2.96 0.14 -0.84 0.00 -1.25 -1.02 121.76 124.56 1j7h s ALA 125 Ca 0.12 -2.00 0.08 0.00 0.00 0.00 0.00 51.96 50.15 1j7h s ALA 125 Cb -0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1j7h s ALA 125 CO -0.26 0.13 -0.12 0.42 0.00 0.00 0.00 175.76 175.94 1j7h s ILE 126 N -2.56 3.15 0.03 0.00 1.01 0.16 -0.21 121.20 122.79 1j7h s ILE 126 Ca 0.32 -1.50 0.02 0.00 0.00 0.00 0.00 60.65 59.49 1j7h s ILE 126 Cb -0.00 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 1j7h s ILE 126 CO 0.17 0.01 -0.07 0.00 0.00 0.00 0.00 174.94 175.05 1j7h s ALA 127 N -1.41 0.54 0.14 9.38 0.00 0.29 -1.60 121.76 129.10 1j7h s ALA 127 Ca 0.22 -0.68 0.09 0.00 0.00 0.00 0.00 51.96 51.59 1j7h s ALA 127 Cb -0.10 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1j7h s ALA 127 CO 0.13 -0.00 -0.16 0.14 0.00 0.00 0.00 175.76 175.87 1j7h s VAL 128 N -1.18 2.92 -0.41 0.00 -7.23 -0.97 0.89 120.40 114.43 1j7h s VAL 128 Ca -0.08 -1.57 0.07 0.00 -1.81 0.00 0.00 61.98 58.59 1j7h s VAL 128 Cb -0.09 -2.37 0.24 0.00 0.56 0.00 0.00 36.38 34.72 1j7h s VAL 128 CO 0.00 0.03 0.56 -1.14 -0.31 0.00 0.00 175.10 174.24 1j7h n ARG 129 N 0.56 0.68 0.00 4.82 3.00 0.32 -4.74 116.66 121.29 1j7h n ARG 129 Ca -0.14 -2.99 0.00 0.00 -0.00 0.00 0.00 57.85 54.72 1j7h n ARG 129 Cb 0.54 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.71 1j7h n ARG 129 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80