#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7h n MET 2 N 0.00 0.76 -2.26 0.03 2.00 -1.26 -4.96 117.12 111.42 1j7h n MET 2 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 57.70 57.49 1j7h n MET 2 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 33.22 33.17 1j7h n MET 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1j7h n THR 3 N -1.30-11.81 -4.02 2.03 -1.04 -1.17 -5.00 114.28 91.98 1j7h n THR 3 Ca 0.01 2.63 -0.32 0.00 -2.04 0.00 0.00 64.05 64.33 1j7h n THR 3 Cb 0.04 -5.86 -0.15 0.00 -1.82 0.00 0.00 70.33 62.54 1j7h n THR 3 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1j7h s GLN 4 N -0.78 2.11 0.04 -2.82 -1.52 0.18 -4.90 119.66 111.98 1j7h s GLN 4 Ca -0.09 -1.46 -0.35 0.00 -1.95 0.00 0.00 55.36 51.52 1j7h s GLN 4 Cb 0.01 -3.03 -0.13 0.00 -0.22 0.00 0.00 33.01 29.63 1j7h s GLN 4 CO 0.25 -0.67 1.68 1.51 -0.25 0.00 0.00 175.29 177.81 1j7h n ILE 5 N 4.43 0.23 -2.94 1.08 0.13 -1.26 -1.33 119.36 119.70 1j7h n ILE 5 Ca -0.10 -0.04 -0.40 0.00 -1.10 0.00 0.00 62.75 61.11 1j7h n ILE 5 Cb 0.42 -1.59 -0.05 0.00 -0.84 0.00 0.00 39.64 37.58 1j7h n ILE 5 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 1j7h s ILE 6 N 2.17 4.49 -0.37 9.51 -1.09 0.63 -4.91 121.20 131.63 1j7h s ILE 6 Ca 0.85 1.74 0.06 0.00 -2.23 0.00 0.00 60.65 61.07 1j7h s ILE 6 Cb -0.73 -4.16 0.18 0.00 -1.58 0.00 0.00 42.46 36.17 1j7h s ILE 6 CO 0.45 0.44 0.54 -2.28 -1.23 0.00 0.00 174.94 172.87 1j7h s HIS 7 N -0.64 -1.35 0.32 3.97 2.46 -1.26 -3.53 115.29 115.26 1j7h s HIS 7 Ca 0.38 0.12 0.09 0.00 0.47 0.00 0.00 55.06 56.13 1j7h s HIS 7 Cb -0.22 0.10 -0.05 0.00 -0.13 0.00 0.00 32.58 32.28 1j7h s HIS 7 CO 0.26 -1.10 0.01 -0.08 -2.47 0.00 0.00 174.74 171.36 1j7h s THR 8 N 1.95 2.81 -0.40 0.89 -1.32 -1.26 -5.03 115.64 113.28 1j7h s THR 8 Ca 0.15 -1.96 0.04 0.00 -1.21 0.00 0.00 61.69 58.71 1j7h s THR 8 Cb -0.08 -2.79 0.62 0.00 -1.51 0.00 0.00 72.50 68.74 1j7h s THR 8 CO -0.11 -0.24 1.81 1.21 -2.21 0.00 0.00 174.62 175.08 1j7h n GLU 9 N -0.94 2.36 -0.04 7.08 2.13 -1.26 -4.22 120.64 125.74 1j7h n GLU 9 Ca -0.04 -2.74 -0.06 0.00 0.66 0.00 0.00 57.16 54.98 1j7h n GLU 9 Cb 0.61 -2.08 -0.04 0.00 0.27 0.00 0.00 31.44 30.21 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 -0.85 0.19 -1.29 5.31 4.01 -1.26 -5.05 118.16 119.22 1j7h n LYS 10 Ca 0.52 0.05 -0.30 0.00 -0.51 0.00 0.00 58.31 58.07 1j7h n LYS 10 Cb 1.52 -1.09 0.23 0.00 -0.51 0.00 0.00 35.03 35.18 1j7h n LYS 10 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1j7h s ALA 11 N -2.16 1.00 -0.28 7.82 0.00 -1.26 -4.77 121.76 122.11 1j7h s ALA 11 Ca -0.11 -1.03 0.15 0.00 0.00 0.00 0.00 51.96 50.97 1j7h s ALA 11 Cb 0.03 -2.85 0.82 0.00 0.00 0.00 0.00 23.12 21.13 1j7h s ALA 11 CO 0.18 -3.33 1.43 -2.30 0.00 0.00 0.00 175.76 171.73 1j7h n PRO 12 N -4.53 0.10 -0.19 0.00 -0.02 -1.26 -4.65 135.00 124.45 1j7h n PRO 12 Ca 0.14 0.58 0.02 0.00 -2.02 0.00 0.00 63.50 62.22 1j7h n PRO 12 Cb 0.59 -1.91 -0.01 0.00 -0.02 0.00 0.00 33.50 32.15 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 -1.66 -0.51 -3.53 3.55 0.00 -1.26 -4.76 120.51 112.35 1j7h n ALA 13 Ca -0.01 0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 1j7h n ALA 13 Cb 0.11 -0.21 -0.16 0.00 0.00 0.00 0.00 19.45 19.20 1j7h n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j7h s ALA 14 N -2.82 2.44 0.00 0.00 0.00 -1.26 -4.83 121.76 115.29 1j7h s ALA 14 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1j7h s ALA 14 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1j7h s ALA 14 CO 0.00 -0.05 0.80 -0.89 0.00 0.00 0.00 175.76 175.62 1j7h n ILE 15 N 4.10 0.00 0.00 0.00 -0.00 -1.26 -5.03 119.36 117.17 1j7h n ILE 15 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.56 1j7h n ILE 15 Cb 0.52 0.43 0.00 0.00 -0.00 0.00 0.00 39.64 40.59 1j7h n ILE 15 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1j7h n GLY 16 N 0.00 5.51 1.62 7.39 0.00 -1.26 -5.02 105.19 113.44 1j7h n GLY 16 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 1.60 -3.47 1.61 -0.04 -1.26 -4.90 135.00 128.54 1j7h n PRO 17 Ca 0.00 -1.36 -0.11 0.00 -0.04 0.00 0.00 63.50 62.00 1j7h n PRO 17 Cb 0.00 -1.53 -0.01 0.00 -0.04 0.00 0.00 33.50 31.92 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 -0.07 -1.57 -4.37 0.54 4.11 -1.26 -5.19 117.16 109.35 1j7h n TYR 18 Ca 0.27 -1.81 -0.22 0.00 -0.00 0.00 0.00 57.90 56.14 1j7h n TYR 18 Cb 0.91 0.56 -0.08 0.00 -0.00 0.00 0.00 39.34 40.73 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 -2.59 0.17 -0.00 -3.48 -7.23 -1.26 -4.56 120.40 101.45 1j7h s VAL 19 Ca 0.20 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.12 1j7h s VAL 19 Cb -0.02 -2.42 -0.19 0.00 0.56 0.00 0.00 36.38 34.31 1j7h s VAL 19 CO 0.15 0.00 1.32 1.56 -0.31 0.00 0.00 175.10 177.82 1j7h h GLN 20 N 1.97 0.04 0.00 4.82 1.08 -1.88 -3.44 115.11 117.71 1j7h h GLN 20 Ca -0.28 -0.02 0.22 0.00 -1.45 0.00 0.00 58.65 57.12 1j7h h GLN 20 Cb 1.25 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.64 1j7h h GLN 20 CO 0.42 0.47 0.61 0.00 -0.95 0.00 0.00 178.83 179.38 1j7h n ALA 21 N -2.33 -2.51 -2.83 3.87 0.00 -1.23 -3.22 120.51 112.27 1j7h n ALA 21 Ca -0.08 -0.65 -0.14 0.00 0.00 0.00 0.00 53.44 52.58 1j7h n ALA 21 Cb 0.24 0.20 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.09 0.24 -0.53 0.00 -7.23 -1.15 -0.27 120.40 109.36 1j7h s VAL 22 Ca 0.21 -0.26 0.02 0.00 -1.81 0.00 0.00 61.98 60.14 1j7h s VAL 22 Cb -0.01 -0.23 0.14 0.00 0.56 0.00 0.00 36.38 36.84 1j7h s VAL 22 CO 0.01 -0.02 0.29 -0.62 -0.31 0.00 0.00 175.10 174.45 1j7h s ASP 23 N -0.30 4.60 0.58 4.85 -1.08 -0.44 -1.43 116.67 123.45 1j7h s ASP 23 Ca -0.01 -2.90 0.36 0.00 -0.52 0.00 0.00 52.55 49.48 1j7h s ASP 23 Cb -0.02 -1.70 1.73 0.00 -1.46 0.00 0.00 42.92 41.46 1j7h s ASP 23 CO -0.00 -0.28 2.13 -0.07 0.52 0.00 0.00 175.17 177.46 1j7h h LEU 24 N 6.73 0.00 0.00 -1.34 -0.00 -1.84 0.52 115.31 119.39 1j7h h LEU 24 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1j7h h LEU 24 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 1j7h h LEU 24 CO 0.68 0.03 0.00 0.61 -0.00 0.00 0.00 178.44 179.76 1j7h n GLY 25 N -0.46 1.00 0.31 0.83 0.00 -1.26 -3.57 105.19 102.04 1j7h n GLY 25 Ca -0.01 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 0.02 -3.24 1.61 2.35 -1.93 -3.39 115.58 111.00 1j7h h ASN 26 Ca 0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 1j7h h ASN 26 Cb 0.00 -0.00 -0.35 0.00 0.05 0.00 0.00 38.32 38.02 1j7h h ASN 26 CO 0.00 0.01 -0.84 -0.22 -1.65 0.00 0.00 177.43 174.73 1j7h s LEU 27 N -8.96 1.75 0.44 1.61 0.20 -1.26 0.11 118.68 112.57 1j7h s LEU 27 Ca -0.05 -0.45 0.08 0.00 0.69 0.00 0.00 54.13 54.39 1j7h s LEU 27 Cb 0.18 -1.13 -0.00 0.00 -0.43 0.00 0.00 46.19 44.81 1j7h s LEU 27 CO 0.70 0.01 0.44 0.68 -0.29 0.00 0.00 176.35 177.89 1j7h s VAL 28 N 1.05 2.56 0.14 1.68 -7.23 0.33 -2.93 120.40 116.01 1j7h s VAL 28 Ca -0.05 -1.28 -0.06 0.00 -1.81 0.00 0.00 61.98 58.79 1j7h s VAL 28 Cb -0.15 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 33.93 1j7h s VAL 28 CO -0.03 0.00 0.19 -0.76 -0.31 0.00 0.00 175.10 174.19 1j7h s LEU 29 N -4.22 1.31 0.01 1.32 1.02 -0.52 -0.45 118.68 117.15 1j7h s LEU 29 Ca 0.49 -0.98 0.01 0.00 0.02 0.00 0.00 54.13 53.67 1j7h s LEU 29 Cb -0.04 0.84 -0.01 0.00 0.02 0.00 0.00 46.19 47.00 1j7h s LEU 29 CO 0.29 -0.82 -0.03 0.42 0.02 0.00 0.00 176.35 176.23 1j7h s THR 30 N -3.99 0.20 1.18 5.49 -4.23 -0.58 -2.95 115.64 110.76 1j7h s THR 30 Ca 0.18 -0.43 -0.20 0.00 -1.18 0.00 0.00 61.69 60.07 1j7h s THR 30 Cb 0.05 -0.24 0.28 0.00 1.34 0.00 0.00 72.50 73.94 1j7h s THR 30 CO -0.00 -0.15 1.18 -0.94 -0.54 0.00 0.00 174.62 174.16 1j7h s SER 31 N -0.62 1.17 -0.81 3.99 1.04 -1.20 -3.79 113.70 113.49 1j7h s SER 31 Ca -0.05 0.42 -0.25 0.00 0.48 0.00 0.00 55.95 56.55 1j7h s SER 31 Cb -0.04 -0.52 0.01 0.00 0.10 0.00 0.00 66.02 65.56 1j7h s SER 31 CO -0.00 -3.95 1.61 -0.83 0.98 0.00 0.00 173.24 171.05 1j7h s GLY 32 N -4.25 0.65 0.95 7.32 0.00 -1.25 -4.42 107.32 106.32 1j7h s GLY 32 Ca 0.73 -1.44 -0.12 0.00 0.00 0.00 0.00 44.72 43.90 1j7h s GLY 32 CO 0.55 3.03 1.09 1.20 0.00 0.00 0.00 173.10 178.97 1j7h s GLN 33 N 6.15 0.83 0.11 2.90 -1.52 0.29 -4.68 119.66 123.74 1j7h s GLN 33 Ca 0.53 0.92 -0.24 0.00 -1.95 0.00 0.00 55.36 54.62 1j7h s GLN 33 Cb -0.07 -1.75 0.07 0.00 -0.22 0.00 0.00 33.01 31.04 1j7h s GLN 33 CO 0.07 -2.56 0.60 0.96 -0.25 0.00 0.00 175.29 174.11 1j7h s ILE 34 N -2.81 0.00 -0.12 1.08 -4.36 -1.26 -1.67 121.20 112.07 1j7h s ILE 34 Ca 0.65 -0.04 0.21 0.00 -0.26 0.00 0.00 60.65 61.21 1j7h s ILE 34 Cb -0.20 -1.01 0.21 0.00 1.25 0.00 0.00 42.46 42.71 1j7h s ILE 34 CO 0.58 -0.02 1.62 -0.65 0.24 0.00 0.00 174.94 176.71 1j7h h PRO 35 N 2.27 0.00 -5.16 0.37 0.11 -1.80 -3.42 132.00 124.37 1j7h h PRO 35 Ca -0.32 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.62 1j7h h PRO 35 Cb 1.27 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 1j7h h PRO 35 CO 0.39 0.00 0.98 0.28 -0.21 0.00 0.00 178.00 179.44 1j7h n VAL 36 N -2.25 0.00 -1.62 3.15 0.31 -1.26 -3.61 118.33 113.04 1j7h n VAL 36 Ca -0.01 -0.48 -0.61 0.00 -0.01 0.00 0.00 64.34 63.22 1j7h n VAL 36 Cb 0.09 -1.00 -0.09 0.00 -0.91 0.00 0.00 33.84 31.93 1j7h n VAL 36 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1j7h n ASN 37 N 12.19 1.64 0.14 4.52 2.85 -1.26 -4.56 115.26 130.78 1j7h n ASN 37 Ca 0.55 0.99 0.09 0.00 -0.11 0.00 0.00 54.58 56.10 1j7h n ASN 37 Cb 0.30 -1.01 0.47 0.00 1.24 0.00 0.00 39.78 40.78 1j7h n ASN 37 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1j7h n PRO 38 N 5.50 0.11 0.06 1.20 -0.02 -1.26 0.23 135.00 140.82 1j7h n PRO 38 Ca 0.35 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 62.41 1j7h n PRO 38 Cb 0.04 -1.93 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 1j7h n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j7h h ALA 39 N 1.83 0.63 0.00 3.55 0.00 -1.92 -3.45 119.26 119.90 1j7h h ALA 39 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1j7h h ALA 39 Cb 0.12 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1j7h h ALA 39 CO 0.00 1.00 0.00 -2.37 0.00 0.00 0.00 179.25 177.88 1j7h n THR 40 N -3.08 0.00 -0.55 0.00 5.66 0.02 -5.08 114.28 111.25 1j7h n THR 40 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1j7h n THR 40 Cb 0.86 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 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 -0.69 0.57 0.05 1.09 0.00 0.63 -4.87 105.19 101.98 1j7h n GLY 41 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 1j7h n GLY 41 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j7h h GLU 42 N 0.00 -0.08 -4.27 1.61 5.08 -1.78 -3.42 114.58 111.71 1j7h h GLU 42 Ca 0.00 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1j7h h GLU 42 Cb 0.37 0.02 0.08 0.00 0.50 0.00 0.00 28.75 29.71 1j7h h GLU 42 CO 0.00 -0.05 -0.34 0.28 -1.00 0.00 0.00 179.01 177.90 1j7h n VAL 43 N -3.40 -5.43 -1.34 3.13 0.31 -1.24 -4.91 118.33 105.45 1j7h n VAL 43 Ca -0.01 -0.57 -0.36 0.00 -0.01 0.00 0.00 64.34 63.39 1j7h n VAL 43 Cb 0.03 -4.97 0.08 0.00 -0.91 0.00 0.00 33.84 28.07 1j7h n VAL 43 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1j7h n PRO 44 N -2.16 0.46 0.10 5.55 -0.02 -1.26 -4.92 135.00 132.75 1j7h n PRO 44 Ca -0.03 0.20 -0.05 0.00 -2.02 0.00 0.00 63.50 61.61 1j7h n PRO 44 Cb 0.55 -2.07 0.05 0.00 -0.02 0.00 0.00 33.50 32.01 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 -0.24 0.71 -0.81 3.55 0.00 -2.00 -3.40 119.26 117.07 1j7h h ALA 45 Ca -0.47 -0.69 -0.31 0.00 0.00 0.00 0.00 54.91 53.44 1j7h h ALA 45 Cb 1.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1j7h h ALA 45 CO 0.46 0.93 1.18 -3.47 0.00 0.00 0.00 179.25 178.35 1j7h n ASP 46 N -3.66 1.47 -0.59 0.00 2.03 -1.26 -4.75 116.55 109.80 1j7h n ASP 46 Ca -0.01 -0.73 0.47 0.00 0.52 0.00 0.00 54.79 55.03 1j7h n ASP 46 Cb 0.74 -1.41 0.75 0.00 -0.72 0.00 0.00 41.12 40.49 1j7h n ASP 46 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1j7h h ILE 47 N 7.68 0.02 0.04 5.18 6.09 -1.98 0.63 117.51 135.16 1j7h h ILE 47 Ca -0.11 -0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.32 1j7h h ILE 47 Cb 1.18 0.01 0.01 0.00 0.47 0.00 0.00 36.82 38.48 1j7h h ILE 47 CO 1.19 0.00 -0.27 0.58 -3.07 0.00 0.00 178.15 176.58 1j7h h VAL 48 N 0.01 1.69 -0.14 2.19 2.07 -1.93 -2.09 116.25 118.06 1j7h h VAL 48 Ca 0.91 -2.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 1j7h h VAL 48 Cb 3.29 3.29 -0.01 0.00 -1.52 0.00 0.00 31.29 36.34 1j7h h VAL 48 CO -0.23 0.64 0.08 0.00 0.02 0.00 0.00 177.57 178.07 1j7h h ALA 49 N 0.05 0.17 -0.24 1.67 0.00 -0.36 0.27 119.26 120.82 1j7h h ALA 49 Ca -0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1j7h h ALA 49 Cb 1.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1j7h h ALA 49 CO 0.05 -0.29 -0.18 -0.56 0.00 0.00 0.00 179.25 178.27 1j7h h GLN 50 N 0.13 0.41 -0.15 0.00 3.07 -0.43 -2.12 115.11 116.03 1j7h h GLN 50 Ca 0.05 -0.13 -0.17 0.00 0.09 0.00 0.00 58.65 58.49 1j7h h GLN 50 Cb 0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.58 1j7h h GLN 50 CO -0.01 0.58 -0.61 0.00 0.09 0.00 0.00 178.83 178.89 1j7h h ALA 51 N 1.44 0.67 -0.26 0.06 0.00 -0.96 -1.46 119.26 118.75 1j7h h ALA 51 Ca 0.07 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1j7h h ALA 51 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1j7h h ALA 51 CO 0.03 0.71 -0.02 -0.09 0.00 0.00 0.00 179.25 179.88 1j7h h ARG 52 N 0.38 0.46 -0.51 0.00 2.43 -0.15 0.10 114.38 117.10 1j7h h ARG 52 Ca -0.01 -0.16 -0.12 0.00 -0.81 0.00 0.00 59.98 58.89 1j7h h ARG 52 Cb 1.16 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 1j7h h ARG 52 CO 0.11 0.65 -0.14 0.37 -1.51 0.00 0.00 179.97 179.45 1j7h h GLN 53 N 0.23 0.98 -0.08 0.20 5.75 -1.40 -1.49 115.11 119.30 1j7h h GLN 53 Ca 0.07 -0.37 -0.11 0.00 -0.15 0.00 0.00 58.65 58.08 1j7h h GLN 53 Cb 0.45 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1j7h h GLN 53 CO 0.02 1.05 -0.46 1.03 -2.65 0.00 0.00 178.83 177.81 1j7h h SER 54 N 0.86 0.22 -0.16 -0.69 0.87 -1.18 -2.49 113.55 110.99 1j7h h SER 54 Ca 0.13 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.50 1j7h h SER 54 Cb 0.70 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1j7h h SER 54 CO 0.05 0.66 -0.26 -0.07 -0.53 0.00 0.00 176.83 176.68 1j7h h LEU 55 N 0.17 0.50 -0.75 2.23 3.38 -0.55 -2.92 115.31 117.37 1j7h h LEU 55 Ca 0.01 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1j7h h LEU 55 Cb 0.89 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1j7h h LEU 55 CO 0.07 0.94 0.47 -0.33 0.09 0.00 0.00 178.44 179.68 1j7h h GLU 56 N 0.08 1.01 -0.84 1.13 5.08 -1.22 -2.22 114.58 117.60 1j7h h GLU 56 Ca 0.01 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1j7h h GLU 56 Cb 0.83 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 1j7h h GLU 56 CO 0.06 0.70 0.56 -0.91 -1.00 0.00 0.00 179.01 178.41 1j7h h ASN 57 N 1.03 0.91 -0.71 1.42 2.35 -1.45 0.23 115.58 119.35 1j7h h ASN 57 Ca 0.27 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 1j7h h ASN 57 Cb -0.07 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 1j7h h ASN 57 CO -0.05 0.63 0.39 0.58 -1.65 0.00 0.00 177.43 177.32 1j7h h VAL 58 N 1.06 1.22 0.03 2.81 2.07 -1.20 -2.39 116.25 119.84 1j7h h VAL 58 Ca 0.33 -0.57 -0.23 0.00 0.82 0.00 0.00 66.70 67.05 1j7h h VAL 58 Cb 0.01 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1j7h h VAL 58 CO -0.09 0.25 -1.10 0.50 0.02 0.00 0.00 177.57 177.15 1j7h h LYS 59 N 1.02 0.05 -0.91 1.57 3.64 -1.08 -3.14 116.57 117.72 1j7h h LYS 59 Ca 0.26 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1j7h h LYS 59 Cb 0.05 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 1j7h h LYS 59 CO -0.04 1.01 0.59 0.00 -2.27 0.00 0.00 179.45 178.75 1j7h h ALA 60 N 0.91 1.21 -0.22 5.00 0.00 -0.11 0.75 119.26 126.80 1j7h h ALA 60 Ca -0.05 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1j7h h ALA 60 Cb 1.83 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1j7h h ALA 60 CO 0.14 0.46 -0.45 0.82 0.00 0.00 0.00 179.25 180.22 1j7h h ILE 61 N 1.15 1.31 -0.14 0.00 2.04 -1.53 -1.18 117.51 119.16 1j7h h ILE 61 Ca 0.36 -1.67 -0.10 0.00 1.00 0.00 0.00 64.86 64.45 1j7h h ILE 61 Cb -0.00 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1j7h h ILE 61 CO -0.12 0.53 -0.37 0.40 0.00 0.00 0.00 178.15 178.59 1j7h h ILE 62 N 0.40 1.29 -0.20 -0.67 2.04 -1.39 -2.70 117.51 116.28 1j7h h ILE 62 Ca 0.00 -1.44 -0.14 0.00 1.00 0.00 0.00 64.86 64.29 1j7h h ILE 62 Cb 1.06 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1j7h h ILE 62 CO 0.10 0.44 -0.41 -0.33 0.00 0.00 0.00 178.15 177.95 1j7h h GLU 63 N 0.26 0.63 0.00 2.37 4.39 0.56 -0.96 114.58 121.83 1j7h h GLU 63 Ca 0.03 -0.41 -0.00 0.00 0.34 0.00 0.00 59.36 59.31 1j7h h GLU 63 Cb 0.78 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1j7h h GLU 63 CO 0.06 1.03 -0.01 -0.22 -1.16 0.00 0.00 179.01 178.71 1j7h h LYS 64 N 0.32 0.00 0.00 2.33 3.11 -1.07 -0.90 116.57 120.36 1j7h h LYS 64 Ca 0.01 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.59 1j7h h LYS 64 Cb 1.01 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.20 1j7h h LYS 64 CO 0.09 0.01 -1.57 0.00 -2.81 0.00 0.00 179.45 175.17 1j7h h ALA 65 N 1.99 0.72 0.00 5.00 0.00 -1.21 -3.49 119.26 122.28 1j7h h ALA 65 Ca -0.00 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.65 1j7h h ALA 65 Cb 0.07 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1j7h h ALA 65 CO 0.00 1.38 0.00 0.41 0.00 0.00 0.00 179.25 181.05 1j7h n GLY 66 N 1.50 0.78 1.03 0.00 0.00 -0.34 -5.11 105.19 103.04 1j7h n GLY 66 Ca -0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 1j7h n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j7h n LEU 67 N 0.00 0.00 -4.10 0.99 4.77 -0.45 -4.99 117.00 113.22 1j7h n LEU 67 Ca 0.00 -0.66 -0.10 0.00 -0.03 0.00 0.00 56.01 55.23 1j7h n LEU 67 Cb 0.00 1.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.00 1j7h n LEU 67 CO 0.00 -0.22 -0.23 0.42 -1.33 0.00 0.00 177.39 176.03 1j7h s THR 68 N -2.71 0.10 0.46 -5.08 -4.23 -1.26 -3.58 115.64 99.34 1j7h s THR 68 Ca 0.05 -1.78 0.11 0.00 -1.18 0.00 0.00 61.69 58.89 1j7h s THR 68 Cb -0.01 -1.97 0.27 0.00 1.34 0.00 0.00 72.50 72.13 1j7h s THR 68 CO 0.03 -0.45 2.09 0.00 -0.54 0.00 0.00 174.62 175.75 1j7h h ALA 69 N 2.80 1.86 -0.22 3.99 0.00 -1.94 -0.98 119.26 124.77 1j7h h ALA 69 Ca -0.34 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.61 1j7h h ALA 69 Cb 1.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1j7h h ALA 69 CO 0.57 0.12 0.21 0.00 0.00 0.00 0.00 179.25 180.15 1j7h h ALA 70 N 1.84 1.91 0.00 0.00 0.00 -1.89 0.15 119.26 121.27 1j7h h ALA 70 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1j7h h ALA 70 Cb 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1j7h h ALA 70 CO -0.02 -0.33 -0.51 -0.44 0.00 0.00 0.00 179.25 177.95 1j7h h ASP 71 N 0.00 0.00 -1.39 0.00 5.19 -1.49 -3.45 116.42 115.28 1j7h h ASP 71 Ca 0.10 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.87 1j7h h ASP 71 Cb 0.53 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 1j7h h ASP 71 CO -0.00 0.26 1.41 -0.38 -3.12 0.00 0.00 179.24 177.41 1j7h n ILE 72 N -3.06 0.26 0.01 0.35 5.41 0.51 -2.99 119.36 119.83 1j7h n ILE 72 Ca 0.01 -0.30 -0.18 0.00 1.00 0.00 0.00 62.75 63.28 1j7h n ILE 72 Cb 0.65 -1.90 -0.13 0.00 -0.71 0.00 0.00 39.64 37.55 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 6.98 1.56 -3.16 1.39 -1.51 -1.24 -3.38 116.25 116.89 1j7h h VAL 73 Ca -0.32 -2.33 -0.65 0.00 -1.23 0.00 0.00 66.70 62.16 1j7h h VAL 73 Cb 1.30 3.08 -0.18 0.00 -2.13 0.00 0.00 31.29 33.35 1j7h h VAL 73 CO 1.00 0.65 -0.81 -0.54 -1.23 0.00 0.00 177.57 176.63 1j7h s LYS 74 N -2.62 1.56 -0.28 5.19 1.02 -1.19 -0.50 119.74 122.91 1j7h s LYS 74 Ca -0.15 -1.51 0.02 0.00 0.02 0.00 0.00 55.97 54.35 1j7h s LYS 74 Cb 0.00 -1.87 0.16 0.00 -0.52 0.00 0.00 37.83 35.61 1j7h s LYS 74 CO 0.79 0.40 0.45 0.95 -0.92 0.00 0.00 175.35 177.01 1j7h s THR 75 N -1.69 -0.71 -0.00 2.17 -4.23 -1.20 -1.18 115.64 108.79 1j7h s THR 75 Ca 0.21 -0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.23 1j7h s THR 75 Cb -0.08 -0.96 -0.06 0.00 1.34 0.00 0.00 72.50 72.74 1j7h s THR 75 CO 0.10 -0.19 1.47 -0.89 -0.54 0.00 0.00 174.62 174.57 1j7h s THR 76 N 2.61 3.60 -0.31 3.99 2.01 0.38 -4.34 115.64 123.58 1j7h s THR 76 Ca 0.11 0.96 -0.05 0.00 0.31 0.00 0.00 61.69 63.02 1j7h s THR 76 Cb -0.13 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.80 1j7h s THR 76 CO -0.27 -0.02 0.05 -0.69 -0.69 0.00 0.00 174.62 173.01 1j7h s VAL 77 N 2.68 3.54 -0.12 3.82 1.01 -1.19 -2.56 120.40 127.58 1j7h s VAL 77 Ca 0.66 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 1j7h s VAL 77 Cb -0.33 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1j7h s VAL 77 CO 0.27 -0.05 -0.05 -0.36 0.00 0.00 0.00 175.10 174.91 1j7h s PHE 78 N 1.38 2.98 0.08 5.22 0.08 -1.19 -0.48 117.98 126.06 1j7h s PHE 78 Ca -0.01 -0.21 0.05 0.00 0.12 0.00 0.00 56.93 56.88 1j7h s PHE 78 Cb -0.19 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.37 1j7h s PHE 78 CO 0.01 0.08 -0.14 0.14 -0.10 0.00 0.00 175.22 175.21 1j7h s VAL 79 N -0.05 1.16 -2.23 -0.44 -7.23 0.07 -2.59 120.40 109.09 1j7h s VAL 79 Ca 0.01 -1.35 0.28 0.00 -1.81 0.00 0.00 61.98 59.11 1j7h s VAL 79 Cb -0.13 -1.13 0.52 0.00 0.56 0.00 0.00 36.38 36.20 1j7h s VAL 79 CO 0.03 -0.24 1.77 2.29 -0.31 0.00 0.00 175.10 178.64 1j7h n LYS 80 N 1.20 1.35 -3.30 4.82 2.85 -1.18 -1.28 118.16 122.62 1j7h n LYS 80 Ca -0.21 -0.72 0.03 0.00 -1.05 0.00 0.00 58.31 56.36 1j7h n LYS 80 Cb 0.54 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.40 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 -2.14 -0.39 0.29 -5.58 -1.08 -1.26 -4.96 116.67 101.55 1j7h s ASP 81 Ca 0.36 0.50 0.21 0.00 -0.52 0.00 0.00 52.55 53.10 1j7h s ASP 81 Cb 0.21 1.43 1.08 0.00 -1.46 0.00 0.00 42.92 44.18 1j7h s ASP 81 CO 0.39 -0.08 1.65 0.18 0.52 0.00 0.00 175.17 177.83 1j7h n LEU 82 N 4.89 0.56 0.23 -1.34 4.77 -1.26 -0.94 117.00 123.91 1j7h n LEU 82 Ca -0.08 0.73 0.12 0.00 -0.03 0.00 0.00 56.01 56.75 1j7h n LEU 82 Cb 0.54 -0.76 0.41 0.00 -2.33 0.00 0.00 43.42 41.28 1j7h n LEU 82 CO -0.05 -0.85 0.83 0.78 -1.33 0.00 0.00 177.39 176.77 1j7h h ASN 83 N 0.00 0.00 1.22 -1.43 2.35 -2.00 -2.85 115.58 112.86 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 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1j7h h ASN 83 CO 0.00 0.13 -0.66 0.44 -1.65 0.00 0.00 177.43 175.69 1j7h h ASP 84 N 0.00 0.00 -0.69 5.81 5.19 -1.46 -3.33 116.42 121.94 1j7h h ASP 84 Ca -0.00 -0.05 0.18 0.00 -0.62 0.00 0.00 57.03 56.55 1j7h h ASP 84 Cb 0.81 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.28 1j7h h ASP 84 CO 0.02 0.02 0.48 0.15 -3.12 0.00 0.00 179.24 176.79 1j7h h PHE 85 N 0.00 0.11 -0.56 4.55 3.57 -1.53 0.72 116.94 123.80 1j7h h PHE 85 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1j7h h PHE 85 Cb 0.94 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 1j7h h PHE 85 CO 0.00 0.04 0.37 0.00 -2.23 0.00 0.00 178.31 176.49 1j7h h ALA 86 N 1.66 1.73 0.12 2.41 0.00 -1.74 0.83 119.26 124.28 1j7h h ALA 86 Ca 0.33 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.91 1j7h h ALA 86 Cb 1.18 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1j7h h ALA 86 CO -0.03 0.21 -1.56 0.00 0.00 0.00 0.00 179.25 177.87 1j7h h ALA 87 N 1.68 0.22 -0.18 0.00 0.00 -1.15 -3.13 119.26 116.69 1j7h h ALA 87 Ca 0.22 -1.15 -0.06 0.00 0.00 0.00 0.00 54.91 53.92 1j7h h ALA 87 Cb 0.11 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1j7h h ALA 87 CO -0.06 0.93 -0.13 0.28 0.00 0.00 0.00 179.25 180.27 1j7h h VAL 88 N -0.21 1.32 -0.70 0.00 2.07 -1.16 -1.81 116.25 115.77 1j7h h VAL 88 Ca -0.33 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 65.90 1j7h h VAL 88 Cb 1.84 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 33.33 1j7h h VAL 88 CO 0.07 0.37 0.28 -1.13 0.02 0.00 0.00 177.57 177.18 1j7h h ASN 89 N 0.07 0.96 0.05 0.57 -0.73 0.50 0.68 115.58 117.68 1j7h h ASN 89 Ca 0.03 -0.14 -0.14 0.00 1.87 0.00 0.00 56.30 57.93 1j7h h ASN 89 Cb 0.64 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 1j7h h ASN 89 CO 0.03 0.85 -0.47 0.00 -0.37 0.00 0.00 177.43 177.48 1j7h h ALA 90 N 1.28 0.84 0.00 1.57 0.00 -1.52 -2.63 119.26 118.81 1j7h h ALA 90 Ca 0.24 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1j7h h ALA 90 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1j7h h ALA 90 CO -0.02 0.66 -0.75 1.49 0.00 0.00 0.00 179.25 180.63 1j7h h GLU 91 N 0.39 0.00 0.21 0.00 4.22 -0.98 -3.14 114.58 115.28 1j7h h GLU 91 Ca 0.02 0.00 -0.32 0.00 0.08 0.00 0.00 59.36 59.14 1j7h h GLU 91 Cb 0.97 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.24 1j7h h GLU 91 CO 0.09 0.00 -1.47 -0.92 -2.18 0.00 0.00 179.01 174.53 1j7h h TYR 92 N 0.00 0.80 0.00 0.92 5.03 0.46 -3.12 116.97 121.06 1j7h h TYR 92 Ca 0.00 -0.58 -0.19 0.00 2.58 0.00 0.00 58.73 60.54 1j7h h TYR 92 Cb 0.75 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.97 1j7h h TYR 92 CO 0.00 1.50 -1.04 1.49 -1.32 0.00 0.00 178.16 178.79 1j7h h GLU 93 N 0.12 0.00 0.00 1.82 4.81 -1.62 -3.14 114.58 116.58 1j7h h GLU 93 Ca -0.24 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.92 1j7h h GLU 93 Cb 2.11 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.48 1j7h h GLU 93 CO 0.24 0.67 -0.35 -0.09 -0.73 0.00 0.00 179.01 178.75 1j7h h ARG 94 N 0.00 0.00 0.14 1.92 2.43 -1.67 -3.14 114.38 114.07 1j7h h ARG 94 Ca -0.08 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.77 1j7h h ARG 94 Cb 1.68 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.22 1j7h h ARG 94 CO 0.09 0.35 -1.65 0.27 -1.51 0.00 0.00 179.97 177.51 1j7h h PHE 95 N 0.00 0.55 0.20 2.20 -5.15 -1.62 -3.03 116.94 110.09 1j7h h PHE 95 Ca -0.00 -0.40 0.01 0.00 -0.20 0.00 0.00 57.97 57.38 1j7h h PHE 95 Cb 1.06 -0.02 -0.03 0.00 0.22 0.00 0.00 35.95 37.18 1j7h h PHE 95 CO 0.00 1.51 -0.29 0.74 -2.00 0.00 0.00 178.31 178.27 1j7h h PHE 96 N 0.08 -0.78 -0.25 6.09 -1.00 -1.58 0.45 116.94 119.94 1j7h h PHE 96 Ca -0.30 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.49 1j7h h PHE 96 Cb 2.05 0.32 -0.01 0.00 3.61 0.00 0.00 35.95 41.92 1j7h h PHE 96 CO 0.08 -0.41 0.12 1.57 -1.61 0.00 0.00 178.31 178.05 1j7h h LYS 97 N -0.56 0.34 0.00 1.51 5.09 -1.70 1.05 116.57 122.30 1j7h h LYS 97 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.72 1j7h h LYS 97 Cb 0.55 -0.07 0.00 0.00 0.10 0.00 0.00 32.23 32.81 1j7h h LYS 97 CO -0.11 0.28 0.00 0.39 -2.09 0.00 0.00 179.45 177.91 1j7h n GLU 98 N -4.45 0.31 0.00 0.07 1.02 -0.50 -2.73 120.64 114.37 1j7h n GLU 98 Ca 0.01 0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.21 1j7h n GLU 98 Cb 0.11 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1j7h n GLU 98 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1j7h n ASN 99 N -1.34 1.16 -0.09 1.62 2.85 0.15 -4.98 115.26 114.64 1j7h n ASN 99 Ca 0.12 -1.08 0.00 0.00 -0.11 0.00 0.00 54.58 53.51 1j7h n ASN 99 Cb 0.25 0.46 0.00 0.00 1.24 0.00 0.00 39.78 41.73 1j7h n ASN 99 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1j7h n ASN 100 N -0.26 -0.95 -2.73 1.20 4.13 0.39 -4.86 115.26 112.17 1j7h n ASN 100 Ca 0.04 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.00 1j7h n ASN 100 Cb 0.19 -0.39 -0.00 0.00 -1.54 0.00 0.00 39.78 38.04 1j7h n ASN 100 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1j7h n HIS 101 N -3.02 3.48 0.25 3.10 8.25 0.33 -4.69 115.22 122.92 1j7h n HIS 101 Ca 0.00 -3.19 0.13 0.00 -0.26 0.00 0.00 57.72 54.40 1j7h n HIS 101 Cb 0.39 -0.42 0.57 0.00 1.12 0.00 0.00 29.99 31.65 1j7h n HIS 101 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1j7h h PRO 102 N 2.85 0.00 -0.99 -0.41 0.13 -1.88 -3.11 132.00 128.58 1j7h h PRO 102 Ca 0.31 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.71 1j7h h PRO 102 Cb 0.65 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.71 1j7h h PRO 102 CO 0.95 0.12 0.68 -0.97 -0.23 0.00 0.00 178.00 178.55 1j7h h ASN 103 N 0.00 0.23 -4.21 1.44 -1.24 -1.87 -3.48 115.58 106.45 1j7h h ASN 103 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1j7h h ASN 103 Cb 0.62 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.67 1j7h h ASN 103 CO 0.02 0.06 -0.77 0.49 -1.29 0.00 0.00 177.43 175.94 1j7h n PHE 104 N -4.42 -3.88 -3.17 0.67 3.72 -1.18 -4.93 117.46 104.27 1j7h n PHE 104 Ca 0.22 2.02 -0.39 0.00 -0.05 0.00 0.00 57.45 59.25 1j7h n PHE 104 Cb 0.93 -3.26 -0.05 0.00 -0.94 0.00 0.00 39.48 36.15 1j7h n PHE 104 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1j7h s PRO 105 N -2.66 4.35 -0.19 -1.08 0.04 -1.26 -4.94 135.00 129.27 1j7h s PRO 105 Ca 0.00 0.75 -0.12 0.00 0.04 0.00 0.00 61.00 61.67 1j7h s PRO 105 Cb 0.00 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 1j7h s PRO 105 CO 0.00 0.29 0.23 0.00 0.04 0.00 0.00 177.00 177.56 1j7h s ALA 106 N 0.07 3.63 0.00 8.56 0.00 0.34 -4.57 121.76 129.79 1j7h s ALA 106 Ca 0.32 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1j7h s ALA 106 Cb -0.18 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1j7h s ALA 106 CO 0.17 0.05 0.00 0.54 0.00 0.00 0.00 175.76 176.52 1j7h n ARG 107 N 3.71 0.00 -3.97 0.00 5.12 -1.26 -3.26 116.66 117.00 1j7h n ARG 107 Ca -0.13 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.44 1j7h n ARG 107 Cb 0.52 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.68 1j7h n ARG 107 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1j7h s SER 108 N 0.69 4.37 -0.01 0.55 0.15 -1.26 -4.98 113.70 113.21 1j7h s SER 108 Ca 0.00 -0.97 -0.16 0.00 0.70 0.00 0.00 55.95 55.52 1j7h s SER 108 Cb 0.00 -1.66 -0.06 0.00 -1.71 0.00 0.00 66.02 62.60 1j7h s SER 108 CO 0.00 -0.15 0.43 0.00 1.20 0.00 0.00 173.24 174.72 1j7h s VAL 110 N -0.81 0.03 -0.95 0.00 -7.23 0.37 -4.97 120.40 106.85 1j7h s VAL 110 Ca 0.24 -0.27 -0.13 0.00 -1.81 0.00 0.00 61.98 60.01 1j7h s VAL 110 Cb -0.17 -1.05 0.23 0.00 0.56 0.00 0.00 36.38 35.96 1j7h s VAL 110 CO 0.13 -0.15 0.93 -0.70 -0.31 0.00 0.00 175.10 175.00 1j7h s GLU 111 N -3.36 3.83 0.84 4.82 2.12 -1.26 -0.75 118.70 124.94 1j7h s GLU 111 Ca -0.00 -2.69 -0.13 0.00 0.36 0.00 0.00 54.97 52.51 1j7h s GLU 111 Cb 0.00 -4.53 0.06 0.00 0.26 0.00 0.00 34.13 29.93 1j7h s GLU 111 CO -0.09 -1.32 0.94 1.33 -0.54 0.00 0.00 175.26 175.58 1j7h n VAL 112 N 3.64 1.32 -0.06 3.70 0.24 -0.40 -4.88 118.33 121.89 1j7h n VAL 112 Ca 0.19 -0.20 -0.04 0.00 -2.04 0.00 0.00 64.34 62.25 1j7h n VAL 112 Cb 0.44 -0.99 0.18 0.00 -1.47 0.00 0.00 33.84 32.01 1j7h n VAL 112 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j7h h ALA 113 N -1.09 1.12 -3.04 2.33 0.00 -1.96 -3.41 119.26 113.21 1j7h h ALA 113 Ca -0.45 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.10 1j7h h ALA 113 Cb 1.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1j7h h ALA 113 CO 0.42 0.55 0.15 -2.13 0.00 0.00 0.00 179.25 178.25 1j7h n ARG 114 N -4.19 0.87 -3.78 0.00 0.63 -1.26 -5.03 116.66 103.90 1j7h n ARG 114 Ca 0.01 -1.98 -0.12 0.00 -0.92 0.00 0.00 57.85 54.85 1j7h n ARG 114 Cb 0.33 2.32 -0.08 0.00 0.45 0.00 0.00 32.46 35.47 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 0.32 6.15 1.43 -1.26 -5.01 118.68 121.32 1j7h s LEU 115 Ca 0.16 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 1j7h s LEU 115 Cb -0.03 1.20 -0.11 0.00 0.03 0.00 0.00 46.19 47.27 1j7h s LEU 115 CO 0.12 -0.52 1.49 -2.16 0.23 0.00 0.00 176.35 175.51 1j7h s PRO 116 N -1.95 4.17 -0.22 1.29 0.04 -1.26 -2.11 135.00 134.96 1j7h s PRO 116 Ca -0.09 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1j7h s PRO 116 Cb -0.03 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1j7h s PRO 116 CO 0.00 -0.50 0.00 1.17 0.04 0.00 0.00 177.00 177.71 1j7h n LYS 117 N 1.33 -0.43 -1.16 4.56 3.00 -1.26 -2.97 118.16 121.22 1j7h n LYS 117 Ca 0.04 0.35 -0.06 0.00 -0.00 0.00 0.00 58.31 58.64 1j7h n LYS 117 Cb 0.39 -3.86 -0.02 0.00 0.00 0.00 0.00 35.03 31.54 1j7h n LYS 117 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1j7h n ASP 118 N 0.34 -5.08 -4.63 3.14 2.03 -0.90 -4.95 116.55 106.50 1j7h n ASP 118 Ca -0.02 0.14 -0.33 0.00 0.52 0.00 0.00 54.79 55.09 1j7h n ASP 118 Cb 0.14 -3.07 0.13 0.00 -0.72 0.00 0.00 41.12 37.59 1j7h n ASP 118 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1j7h n VAL 119 N -2.37 1.48 -0.07 5.18 0.24 -1.16 -4.92 118.33 116.71 1j7h n VAL 119 Ca -0.06 -0.20 0.10 0.00 -2.04 0.00 0.00 64.34 62.15 1j7h n VAL 119 Cb 0.42 -1.05 0.29 0.00 -1.47 0.00 0.00 33.84 32.02 1j7h n VAL 119 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j7h n GLY 120 N 0.74 2.05 3.63 7.63 0.00 -1.26 -4.39 105.19 113.59 1j7h n GLY 120 Ca 0.12 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.01 -0.09 0.10 0.99 0.05 -1.26 -3.13 118.68 114.32 1j7h s LEU 121 Ca 0.43 0.12 0.07 0.00 0.05 0.00 0.00 54.13 54.81 1j7h s LEU 121 Cb 0.23 1.21 -0.03 0.00 -2.05 0.00 0.00 46.19 45.54 1j7h s LEU 121 CO 0.29 -0.08 -0.19 -0.70 -0.55 0.00 0.00 176.35 175.13 1j7h s GLU 122 N -0.84 1.06 -0.11 1.48 2.12 -1.07 -4.55 118.70 116.79 1j7h s GLU 122 Ca 0.07 -1.13 0.00 0.00 0.36 0.00 0.00 54.97 54.27 1j7h s GLU 122 Cb -0.02 -1.25 0.02 0.00 0.26 0.00 0.00 34.13 33.14 1j7h s GLU 122 CO -0.08 0.29 -0.09 0.42 -0.54 0.00 0.00 175.26 175.26 1j7h s ILE 123 N -1.24 1.10 0.03 -3.70 1.01 -0.67 -3.19 121.20 114.53 1j7h s ILE 123 Ca 0.05 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.39 1j7h s ILE 123 Cb -0.10 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 1j7h s ILE 123 CO 0.04 0.38 -0.13 -0.70 0.00 0.00 0.00 174.94 174.53 1j7h s GLU 124 N 1.54 0.89 0.07 2.79 2.56 -1.06 0.11 118.70 125.60 1j7h s GLU 124 Ca 0.02 -0.67 -0.27 0.00 0.00 0.00 0.00 54.97 54.05 1j7h s GLU 124 Cb -0.13 -0.87 0.09 0.00 2.00 0.00 0.00 34.13 35.21 1j7h s GLU 124 CO -0.07 0.22 1.02 0.00 -0.56 0.00 0.00 175.26 175.87 1j7h s ALA 125 N -0.75 -1.82 0.05 6.30 0.00 -1.25 0.15 121.76 124.44 1j7h s ALA 125 Ca 0.01 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.53 1j7h s ALA 125 Cb -0.07 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 1j7h s ALA 125 CO 0.01 -0.95 -0.22 0.42 0.00 0.00 0.00 175.76 175.02 1j7h s ILE 126 N -3.05 1.75 0.08 0.00 1.01 -0.33 -1.53 121.20 119.13 1j7h s ILE 126 Ca 0.11 -1.26 0.08 0.00 0.00 0.00 0.00 60.65 59.59 1j7h s ILE 126 Cb -0.00 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 1j7h s ILE 126 CO -0.01 0.21 -0.22 0.00 0.00 0.00 0.00 174.94 174.91 1j7h s ALA 127 N -0.83 1.90 -0.00 9.38 0.00 0.40 -0.74 121.76 131.88 1j7h s ALA 127 Ca 0.08 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 50.87 1j7h s ALA 127 Cb -0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1j7h s ALA 127 CO 0.02 0.41 -0.15 0.14 0.00 0.00 0.00 175.76 176.17 1j7h s VAL 128 N -1.01 2.97 -0.39 0.00 -7.23 -1.16 0.12 120.40 113.71 1j7h s VAL 128 Ca 0.08 -0.95 0.08 0.00 -1.81 0.00 0.00 61.98 59.37 1j7h s VAL 128 Cb -0.10 -2.22 0.44 0.00 0.56 0.00 0.00 36.38 35.06 1j7h s VAL 128 CO 0.04 0.45 1.11 -1.14 -0.31 0.00 0.00 175.10 175.24 1j7h n ARG 129 N 1.87 3.14 0.00 4.82 0.63 0.31 -4.82 116.66 122.61 1j7h n ARG 129 Ca -0.16 -4.25 0.00 0.00 -0.92 0.00 0.00 57.85 52.51 1j7h n ARG 129 Cb 0.52 -2.11 0.00 0.00 0.45 0.00 0.00 32.46 31.32 1j7h n ARG 129 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29