#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 0.32 -1.44 0.03 2.00 -1.26 -5.00 117.12 111.77 1j7h n MET 2 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 57.70 55.54 1j7h n MET 2 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 33.22 32.85 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 -2.28 -4.53 -3.56 2.03 -1.04 -1.25 -5.07 114.28 98.58 1j7h n THR 3 Ca 0.12 2.04 0.00 0.00 -2.04 0.00 0.00 64.05 64.17 1j7h n THR 3 Cb 0.45 -2.87 -0.06 0.00 -1.82 0.00 0.00 70.33 66.03 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 -4.20 0.24 0.74 -2.82 -1.52 0.69 -4.99 119.66 107.80 1j7h s GLN 4 Ca 0.00 0.46 -0.15 0.00 -1.95 0.00 0.00 55.36 53.72 1j7h s GLN 4 Cb 0.00 0.12 0.01 0.00 -0.22 0.00 0.00 33.01 32.93 1j7h s GLN 4 CO 0.00 -0.06 0.96 -0.89 -0.25 0.00 0.00 175.29 175.05 1j7h n ILE 5 N 3.86 2.59 -4.20 1.08 -0.00 -1.26 -1.57 119.36 119.86 1j7h n ILE 5 Ca -0.15 -0.35 -0.25 0.00 -0.00 0.00 0.00 62.75 62.00 1j7h n ILE 5 Cb 0.56 -1.08 -0.07 0.00 -0.00 0.00 0.00 39.64 39.05 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 -1.87 3.88 -0.27 1.39 1.01 0.23 -4.75 121.20 120.82 1j7h s ILE 6 Ca 0.72 -1.51 -0.20 0.00 0.00 0.00 0.00 60.65 59.67 1j7h s ILE 6 Cb -0.33 -3.01 0.07 0.00 0.01 0.00 0.00 42.46 39.19 1j7h s ILE 6 CO 0.51 -0.22 0.69 -2.28 0.00 0.00 0.00 174.94 173.63 1j7h s HIS 7 N -1.96 -0.91 0.10 3.97 2.46 -1.26 -3.34 115.29 114.35 1j7h s HIS 7 Ca 0.30 1.99 -0.09 0.00 0.47 0.00 0.00 55.06 57.72 1j7h s HIS 7 Cb -0.08 0.45 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 1j7h s HIS 7 CO 0.21 -0.45 0.23 -0.08 -2.47 0.00 0.00 174.74 172.18 1j7h s THR 8 N 1.02 0.12 -0.36 0.89 -1.32 -1.26 -4.95 115.64 109.78 1j7h s THR 8 Ca -0.05 -1.14 0.11 0.00 -1.21 0.00 0.00 61.69 59.39 1j7h s THR 8 Cb -0.05 -1.39 0.69 0.00 -1.51 0.00 0.00 72.50 70.24 1j7h s THR 8 CO -0.10 -0.57 1.59 -0.62 -2.21 0.00 0.00 174.62 172.72 1j7h n GLU 9 N -0.10 4.11 -0.02 7.08 1.02 -1.26 -4.14 120.64 127.34 1j7h n GLU 9 Ca -0.14 -2.68 -0.03 0.00 -0.02 0.00 0.00 57.16 54.30 1j7h n GLU 9 Cb 0.63 -2.14 -0.02 0.00 -0.02 0.00 0.00 31.44 29.88 1j7h n GLU 9 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1j7h n LYS 10 N 0.39 1.47 -0.47 3.49 4.76 -1.26 -5.06 118.16 121.48 1j7h n LYS 10 Ca 0.26 0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.49 1j7h n LYS 10 Cb 1.11 -1.09 0.19 0.00 -1.84 0.00 0.00 35.03 33.40 1j7h n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j7h n ALA 11 N -2.42 -2.14 0.42 7.82 0.00 -1.26 -4.75 120.51 118.17 1j7h n ALA 11 Ca -0.07 -1.28 0.05 0.00 0.00 0.00 0.00 53.44 52.14 1j7h n ALA 11 Cb 0.60 -1.13 0.24 0.00 0.00 0.00 0.00 19.45 19.15 1j7h n ALA 11 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1j7h n PRO 12 N -2.86 0.06 -0.29 0.00 -0.02 -1.26 -4.97 135.00 125.65 1j7h n PRO 12 Ca 0.07 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1j7h n PRO 12 Cb 0.44 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 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 -1.41 -0.95 -2.61 3.55 0.00 -1.26 -4.92 120.51 112.91 1j7h n ALA 13 Ca 0.04 0.09 -0.38 0.00 0.00 0.00 0.00 53.44 53.18 1j7h n ALA 13 Cb 0.11 -0.68 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 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 -3.82 3.56 -0.11 0.00 0.00 -1.26 -4.93 121.76 115.20 1j7h s ALA 14 Ca 0.00 -0.91 0.13 0.00 0.00 0.00 0.00 51.96 51.17 1j7h s ALA 14 Cb 0.00 -2.57 0.21 0.00 0.00 0.00 0.00 23.12 20.76 1j7h s ALA 14 CO 0.00 -0.53 1.12 -0.89 0.00 0.00 0.00 175.76 175.46 1j7h n ILE 15 N 4.93 1.60 -1.47 0.00 -0.00 -1.26 -5.03 119.36 118.13 1j7h n ILE 15 Ca -0.11 -1.81 0.00 0.00 -0.00 0.00 0.00 62.75 60.83 1j7h n ILE 15 Cb 0.51 0.02 0.00 0.00 -0.00 0.00 0.00 39.64 40.17 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 -1.05 4.78 1.82 7.39 0.00 -1.26 -5.03 105.19 111.84 1j7h n GLY 16 Ca 0.11 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 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 1.71 -4.20 1.61 -0.04 -1.26 -4.89 135.00 127.94 1j7h n PRO 17 Ca 0.00 -1.42 -0.12 0.00 -0.04 0.00 0.00 63.50 61.92 1j7h n PRO 17 Cb 0.00 -1.56 -0.10 0.00 -0.04 0.00 0.00 33.50 31.80 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 -1.64 1.03 0.49 0.54 1.13 -1.26 -5.17 117.35 112.46 1j7h s TYR 18 Ca 0.28 -1.09 0.05 0.00 -1.41 0.00 0.00 57.07 54.90 1j7h s TYR 18 Cb 0.22 -0.59 -0.00 0.00 -1.10 0.00 0.00 41.96 40.49 1j7h s TYR 18 CO 0.00 -0.33 0.24 0.14 -2.51 0.00 0.00 175.55 173.09 1j7h s VAL 19 N -3.81 1.79 0.13 -3.49 -7.23 -1.26 -4.75 120.40 101.78 1j7h s VAL 19 Ca 0.22 -1.67 -0.19 0.00 -1.81 0.00 0.00 61.98 58.54 1j7h s VAL 19 Cb 0.07 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1j7h s VAL 19 CO 0.02 0.00 1.76 -0.61 -0.31 0.00 0.00 175.10 175.96 1j7h h GLN 20 N 1.12 0.22 -2.14 4.82 5.75 -1.95 -3.46 115.11 119.46 1j7h h GLN 20 Ca -0.41 -0.01 0.32 0.00 -0.15 0.00 0.00 58.65 58.40 1j7h h GLN 20 Cb 1.29 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.72 1j7h h GLN 20 CO 0.65 0.15 0.86 0.00 -2.65 0.00 0.00 178.83 177.84 1j7h s ALA 21 N -6.17 -2.35 -0.03 3.38 0.00 -1.21 -3.93 121.76 111.45 1j7h s ALA 21 Ca -0.13 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.86 1j7h s ALA 21 Cb 0.10 0.85 0.01 0.00 0.00 0.00 0.00 23.12 24.08 1j7h s ALA 21 CO 0.70 -1.13 -0.06 0.14 0.00 0.00 0.00 175.76 175.40 1j7h s VAL 22 N -2.06 0.57 -0.24 0.00 -7.23 -1.07 0.74 120.40 111.11 1j7h s VAL 22 Ca 0.28 -0.20 -0.04 0.00 -1.81 0.00 0.00 61.98 60.21 1j7h s VAL 22 Cb -0.00 -0.55 -0.00 0.00 0.56 0.00 0.00 36.38 36.38 1j7h s VAL 22 CO -0.00 0.21 -0.01 -0.62 -0.31 0.00 0.00 175.10 174.37 1j7h s ASP 23 N 0.56 4.52 0.08 4.85 -1.08 -0.61 -2.45 116.67 122.53 1j7h s ASP 23 Ca -0.08 -0.50 0.23 0.00 -0.52 0.00 0.00 52.55 51.68 1j7h s ASP 23 Cb -0.11 -1.77 -0.04 0.00 -1.46 0.00 0.00 42.92 39.54 1j7h s ASP 23 CO 0.00 -0.07 0.93 0.18 0.52 0.00 0.00 175.17 176.74 1j7h n LEU 24 N 4.80 0.57 0.00 -1.34 4.77 -0.79 -0.22 117.00 124.78 1j7h n LEU 24 Ca -0.17 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1j7h n LEU 24 Cb 0.50 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1j7h n LEU 24 CO 0.29 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1j7h n GLY 25 N 1.30 1.46 0.29 -0.72 0.00 -1.26 -3.91 105.19 102.34 1j7h n GLY 25 Ca 0.00 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.32 1j7h n GLY 25 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1j7h h ASN 26 N 0.00 0.00 -4.15 1.61 4.21 -1.86 -3.31 115.58 112.08 1j7h h ASN 26 Ca 0.00 0.00 -0.48 0.00 1.21 0.00 0.00 56.30 57.03 1j7h h ASN 26 Cb 0.00 0.00 -0.29 0.00 -1.12 0.00 0.00 38.32 36.91 1j7h h ASN 26 CO 0.00 0.00 -0.81 -0.76 -1.29 0.00 0.00 177.43 174.57 1j7h s LEU 27 N -8.77 2.01 0.10 1.61 2.01 -1.26 0.94 118.68 115.31 1j7h s LEU 27 Ca -0.05 -0.25 0.07 0.00 0.01 0.00 0.00 54.13 53.91 1j7h s LEU 27 Cb 0.17 -0.70 -0.03 0.00 0.01 0.00 0.00 46.19 45.63 1j7h s LEU 27 CO 0.66 0.16 -0.17 0.54 1.01 0.00 0.00 176.35 178.55 1j7h s VAL 28 N -0.27 1.43 -0.02 -1.59 0.11 0.37 -1.89 120.40 118.54 1j7h s VAL 28 Ca 0.04 -1.52 0.02 0.00 -2.93 0.00 0.00 61.98 57.59 1j7h s VAL 28 Cb -0.06 -1.40 0.01 0.00 -1.53 0.00 0.00 36.38 33.40 1j7h s VAL 28 CO -0.00 -0.21 -0.06 -0.22 -3.33 0.00 0.00 175.10 171.28 1j7h s LEU 29 N -2.02 1.71 -0.11 2.54 2.96 -1.02 -1.10 118.68 121.64 1j7h s LEU 29 Ca 0.05 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1j7h s LEU 29 Cb -0.09 -0.39 -0.03 0.00 0.50 0.00 0.00 46.19 46.18 1j7h s LEU 29 CO 0.03 0.02 -0.04 0.42 -1.32 0.00 0.00 176.35 175.47 1j7h s THR 30 N 0.31 3.96 0.43 3.68 -4.23 -1.06 -2.61 115.64 116.13 1j7h s THR 30 Ca -0.04 -0.36 -0.25 0.00 -1.18 0.00 0.00 61.69 59.86 1j7h s THR 30 Cb -0.08 -2.68 -0.08 0.00 1.34 0.00 0.00 72.50 71.00 1j7h s THR 30 CO -0.00 0.56 1.34 -0.44 -0.54 0.00 0.00 174.62 175.54 1j7h s SER 31 N -0.39 6.08 -0.83 3.99 0.01 -1.25 -4.27 113.70 117.04 1j7h s SER 31 Ca 0.06 2.73 -0.21 0.00 1.31 0.00 0.00 55.95 59.84 1j7h s SER 31 Cb -0.12 -2.64 -0.20 0.00 0.21 0.00 0.00 66.02 63.27 1j7h s SER 31 CO 0.02 -1.02 2.36 0.61 0.41 0.00 0.00 173.24 175.63 1j7h n GLY 32 N 0.63 -0.23 3.80 3.44 0.00 -1.26 -4.76 105.19 106.81 1j7h n GLY 32 Ca 0.05 0.34 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 1j7h n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j7h s GLN 33 N 8.29 2.20 0.09 1.61 -1.52 0.32 -4.71 119.66 125.95 1j7h s GLN 33 Ca 1.09 0.72 -0.08 0.00 -1.95 0.00 0.00 55.36 55.14 1j7h s GLN 33 Cb -0.44 -1.93 -0.01 0.00 -0.22 0.00 0.00 33.01 30.42 1j7h s GLN 33 CO 0.28 -1.56 0.17 0.96 -0.25 0.00 0.00 175.29 174.89 1j7h s ILE 34 N -3.12 0.15 -0.24 1.08 -4.36 -1.26 0.71 121.20 114.16 1j7h s ILE 34 Ca 0.60 -1.25 -0.03 0.00 -0.26 0.00 0.00 60.65 59.71 1j7h s ILE 34 Cb -0.15 -1.38 -0.07 0.00 1.25 0.00 0.00 42.46 42.12 1j7h s ILE 34 CO 0.55 -0.67 1.61 -2.65 0.24 0.00 0.00 174.94 174.02 1j7h n PRO 35 N -0.05 0.93 -1.83 0.37 -0.02 -1.26 -4.75 135.00 128.39 1j7h n PRO 35 Ca -0.15 -0.65 -0.21 0.00 -2.02 0.00 0.00 63.50 60.47 1j7h n PRO 35 Cb 0.62 -1.93 -0.07 0.00 -0.02 0.00 0.00 33.50 32.11 1j7h n PRO 35 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j7h s VAL 36 N 3.04 3.26 0.05 -1.45 1.01 -1.19 -2.58 120.40 122.54 1j7h s VAL 36 Ca 0.23 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1j7h s VAL 36 Cb 0.09 -3.81 -0.16 0.00 0.00 0.00 0.00 36.38 32.50 1j7h s VAL 36 CO -0.01 -0.51 0.76 -3.20 0.00 0.00 0.00 175.10 172.13 1j7h n ASN 37 N 16.53 -0.33 0.07 3.32 2.85 -1.26 -4.48 115.26 131.96 1j7h n ASN 37 Ca 0.43 0.97 0.10 0.00 -0.11 0.00 0.00 54.58 55.97 1j7h n ASN 37 Cb 0.46 -0.78 0.42 0.00 1.24 0.00 0.00 39.78 41.12 1j7h n ASN 37 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1j7h n PRO 38 N 1.13 0.12 -0.00 1.20 -0.04 -1.26 0.18 135.00 136.32 1j7h n PRO 38 Ca 0.16 0.34 0.01 0.00 -0.04 0.00 0.00 63.50 63.98 1j7h n PRO 38 Cb 0.11 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 1j7h n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j7h n ALA 39 N -1.66 2.11 -0.01 0.55 0.00 -1.26 -4.74 120.51 115.51 1j7h n ALA 39 Ca 0.03 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.39 1j7h n ALA 39 Cb 0.21 -0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.65 0.10 -3.36 0.00 -1.04 -1.17 -5.05 114.28 102.10 1j7h n THR 40 Ca -0.01 -0.14 -0.17 0.00 -2.04 0.00 0.00 64.05 61.69 1j7h n THR 40 Cb 0.12 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.71 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 2.37 -0.90 0.00 3.41 0.00 0.48 -4.86 105.19 105.70 1j7h n GLY 41 Ca -0.03 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.59 0.00 -3.15 1.61 0.28 -1.26 -4.72 120.64 109.81 1j7h n GLU 42 Ca -0.14 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 56.91 1j7h n GLU 42 Cb 0.63 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.49 1j7h n GLU 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1j7h s VAL 43 N 0.00 -0.24 0.36 3.84 0.11 -1.06 -3.17 120.40 120.23 1j7h s VAL 43 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 1j7h s VAL 43 Cb 0.00 -0.88 -0.12 0.00 -1.53 0.00 0.00 36.38 33.85 1j7h s VAL 43 CO 0.00 0.00 1.20 -2.65 -3.33 0.00 0.00 175.10 170.32 1j7h n PRO 44 N 5.42 1.85 0.16 1.54 -0.02 -1.25 -4.87 135.00 137.82 1j7h n PRO 44 Ca -0.05 0.65 0.05 0.00 -2.02 0.00 0.00 63.50 62.13 1j7h n PRO 44 Cb 0.55 -2.21 0.51 0.00 -0.02 0.00 0.00 33.50 32.33 1j7h n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j7h h ALA 45 N 2.22 1.78 -0.82 3.55 0.00 -1.99 -3.38 119.26 120.62 1j7h h ALA 45 Ca -0.45 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.08 1j7h h ALA 45 Cb 1.30 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1j7h h ALA 45 CO 0.61 0.17 0.81 -0.51 0.00 0.00 0.00 179.25 180.33 1j7h s ASP 46 N -6.92 5.13 0.51 0.00 1.11 -1.26 -4.80 116.67 110.43 1j7h s ASP 46 Ca -0.06 -0.51 0.41 0.00 0.18 0.00 0.00 52.55 52.58 1j7h s ASP 46 Cb 0.17 -2.55 1.61 0.00 1.07 0.00 0.00 42.92 43.21 1j7h s ASP 46 CO 0.70 -2.72 1.60 0.40 1.18 0.00 0.00 175.17 176.33 1j7h h ILE 47 N 7.22 0.06 0.19 0.77 1.08 -1.98 1.02 117.51 125.87 1j7h h ILE 47 Ca 0.04 -0.01 -0.25 0.00 -0.39 0.00 0.00 64.86 64.26 1j7h h ILE 47 Cb 1.03 0.04 0.03 0.00 -3.07 0.00 0.00 36.82 34.84 1j7h h ILE 47 CO 1.21 0.00 -1.09 0.58 -0.69 0.00 0.00 178.15 178.16 1j7h h VAL 48 N 0.02 1.42 -0.27 1.67 2.07 -1.93 -1.93 116.25 117.29 1j7h h VAL 48 Ca 0.88 -2.60 -0.13 0.00 0.82 0.00 0.00 66.70 65.67 1j7h h VAL 48 Cb 3.21 3.13 -0.01 0.00 -1.52 0.00 0.00 31.29 36.09 1j7h h VAL 48 CO -0.21 0.75 -0.38 0.00 0.02 0.00 0.00 177.57 177.76 1j7h h ALA 49 N 0.12 0.83 0.00 1.67 0.00 0.33 -0.78 119.26 121.42 1j7h h ALA 49 Ca -0.19 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1j7h h ALA 49 Cb 1.86 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1j7h h ALA 49 CO 0.20 0.64 -0.06 -0.56 0.00 0.00 0.00 179.25 179.48 1j7h h GLN 50 N 0.52 0.00 0.14 0.00 -0.00 0.23 -2.55 115.11 113.45 1j7h h GLN 50 Ca 0.05 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.38 1j7h h GLN 50 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.37 1j7h h GLN 50 CO 0.08 0.06 -1.55 0.00 -0.00 0.00 0.00 178.83 177.42 1j7h h ALA 51 N 1.94 0.21 0.01 0.06 0.00 -1.03 -2.95 119.26 117.50 1j7h h ALA 51 Ca -0.00 -1.08 -0.21 0.00 0.00 0.00 0.00 54.91 53.62 1j7h h ALA 51 Cb 0.97 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1j7h h ALA 51 CO 0.01 1.08 -0.93 0.07 0.00 0.00 0.00 179.25 179.48 1j7h h ARG 52 N 0.08 0.22 0.00 0.00 -0.00 -1.19 -3.11 114.38 110.38 1j7h h ARG 52 Ca -0.26 -0.25 -0.11 0.00 -0.00 0.00 0.00 59.98 59.36 1j7h h ARG 52 Cb 2.04 0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 32.07 1j7h h ARG 52 CO 0.18 1.00 -0.50 0.37 -0.00 0.00 0.00 179.97 181.01 1j7h h GLN 53 N 0.11 0.00 -0.18 0.08 5.75 -1.58 -2.71 115.11 116.58 1j7h h GLN 53 Ca -0.05 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.30 1j7h h GLN 53 Cb 1.57 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.11 1j7h h GLN 53 CO 0.14 0.50 -0.50 0.66 -2.65 0.00 0.00 178.83 176.99 1j7h h SER 54 N 0.00 0.54 0.59 -0.69 4.64 -1.49 -2.98 113.55 114.15 1j7h h SER 54 Ca -0.01 -0.27 -0.22 0.00 -0.47 0.00 0.00 61.79 60.82 1j7h h SER 54 Cb 1.14 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1j7h h SER 54 CO 0.07 0.94 -0.99 -0.07 -0.87 0.00 0.00 176.83 175.91 1j7h h LEU 55 N 0.39 0.32 0.15 5.97 3.38 -1.49 -3.14 115.31 120.90 1j7h h LEU 55 Ca 0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1j7h h LEU 55 Cb 1.01 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1j7h h LEU 55 CO 0.09 1.13 -0.08 -0.33 0.09 0.00 0.00 178.44 179.34 1j7h h GLU 56 N 0.11 -0.21 -1.00 1.13 4.39 -1.42 -1.57 114.58 116.02 1j7h h GLU 56 Ca -0.07 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.67 1j7h h GLU 56 Cb 1.66 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 30.30 1j7h h GLU 56 CO 0.16 -0.14 0.66 -2.95 -1.16 0.00 0.00 179.01 175.57 1j7h h ASN 57 N -0.22 1.12 -0.48 1.42 7.08 -1.62 0.92 115.58 123.80 1j7h h ASN 57 Ca -0.02 -0.02 -0.02 0.00 -3.08 0.00 0.00 56.30 53.16 1j7h h ASN 57 Cb 0.17 -0.27 -0.03 0.00 -2.08 0.00 0.00 38.32 36.12 1j7h h ASN 57 CO 0.03 0.79 0.24 0.58 -2.08 0.00 0.00 177.43 176.99 1j7h h VAL 58 N 1.31 1.18 0.03 6.14 2.07 -1.43 -2.21 116.25 123.34 1j7h h VAL 58 Ca 0.38 -0.51 -0.22 0.00 0.82 0.00 0.00 66.70 67.17 1j7h h VAL 58 Cb -0.09 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1j7h h VAL 58 CO -0.10 0.21 -1.03 0.50 0.02 0.00 0.00 177.57 177.17 1j7h h LYS 59 N 0.73 0.09 -0.77 1.57 3.64 -0.35 -3.09 116.57 118.39 1j7h h LYS 59 Ca 0.18 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1j7h h LYS 59 Cb 0.09 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1j7h h LYS 59 CO -0.02 1.03 0.34 0.00 -2.27 0.00 0.00 179.45 178.53 1j7h h ALA 60 N 0.91 1.15 -0.15 5.00 0.00 -0.28 0.16 119.26 126.04 1j7h h ALA 60 Ca -0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1j7h h ALA 60 Cb 1.76 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1j7h h ALA 60 CO 0.15 0.63 -0.13 0.82 0.00 0.00 0.00 179.25 180.71 1j7h h ILE 61 N 1.11 1.34 -0.10 0.00 2.04 -1.48 -0.47 117.51 119.95 1j7h h ILE 61 Ca 0.26 -1.27 -0.06 0.00 1.00 0.00 0.00 64.86 64.80 1j7h h ILE 61 Cb 0.15 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1j7h h ILE 61 CO -0.03 0.37 -0.21 0.40 0.00 0.00 0.00 178.15 178.68 1j7h h ILE 62 N 0.00 1.20 -0.06 -0.67 2.04 -1.42 -2.38 117.51 116.21 1j7h h ILE 62 Ca 0.03 -0.94 -0.21 0.00 1.00 0.00 0.00 64.86 64.74 1j7h h ILE 62 Cb 0.65 1.37 0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1j7h h ILE 62 CO 0.03 0.28 -0.80 -0.08 0.00 0.00 0.00 178.15 177.59 1j7h h GLU 63 N 0.15 0.65 0.00 2.37 4.22 -0.59 -0.03 114.58 121.35 1j7h h GLU 63 Ca 0.03 -0.62 -0.00 0.00 0.08 0.00 0.00 59.36 58.85 1j7h h GLU 63 Cb 0.47 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1j7h h GLU 63 CO 0.03 1.22 -0.01 -0.22 -2.18 0.00 0.00 179.01 177.86 1j7h h LYS 64 N 0.31 0.00 0.00 1.92 1.63 -0.79 -1.08 116.57 118.55 1j7h h LYS 64 Ca -0.08 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.67 1j7h h LYS 64 Cb 1.45 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.08 1j7h h LYS 64 CO 0.16 0.01 -1.27 0.00 -3.45 0.00 0.00 179.45 174.89 1j7h n ALA 65 N -2.10 2.41 0.00 5.00 0.00 -0.92 -4.97 120.51 119.93 1j7h n ALA 65 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1j7h n ALA 65 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.25 0.67 3.46 0.00 0.00 -0.41 -5.10 105.19 105.06 1j7h n GLY 66 Ca -0.04 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.26 0.25 0.99 1.43 -0.07 -5.00 118.68 116.02 1j7h s LEU 67 Ca 0.00 1.15 0.01 0.00 -1.03 0.00 0.00 54.13 54.26 1j7h s LEU 67 Cb 0.00 1.91 -0.04 0.00 0.03 0.00 0.00 46.19 48.09 1j7h s LEU 67 CO 0.00 -0.20 0.43 -0.89 0.23 0.00 0.00 176.35 175.92 1j7h s THR 68 N 0.65 5.19 0.38 5.49 2.01 -1.26 -3.19 115.64 124.92 1j7h s THR 68 Ca -0.03 -0.52 0.16 0.00 0.31 0.00 0.00 61.69 61.61 1j7h s THR 68 Cb -0.05 -3.79 0.37 0.00 0.01 0.00 0.00 72.50 69.04 1j7h s THR 68 CO -0.04 -0.31 1.79 0.00 -0.69 0.00 0.00 174.62 175.37 1j7h h ALA 69 N 1.49 2.11 -0.02 7.40 0.00 -1.94 0.59 119.26 128.89 1j7h h ALA 69 Ca -0.49 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1j7h h ALA 69 Cb 1.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1j7h h ALA 69 CO 0.65 -0.49 0.08 0.00 0.00 0.00 0.00 179.25 179.49 1j7h h ALA 70 N 1.62 1.21 0.00 0.00 0.00 -1.80 0.12 119.26 120.41 1j7h h ALA 70 Ca 0.56 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.35 1j7h h ALA 70 Cb 1.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1j7h h ALA 70 CO -0.29 -0.09 -0.58 -0.44 0.00 0.00 0.00 179.25 177.86 1j7h h ASP 71 N 0.00 0.00 -2.08 0.00 5.19 -0.13 -3.45 116.42 115.95 1j7h h ASP 71 Ca 0.01 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.85 1j7h h ASP 71 Cb 0.17 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.69 1j7h h ASP 71 CO -0.00 0.58 1.38 -0.38 -3.12 0.00 0.00 179.24 177.70 1j7h n ILE 72 N -3.34 0.51 0.04 0.35 5.41 0.40 -2.15 119.36 120.58 1j7h n ILE 72 Ca 0.01 -0.32 -0.13 0.00 1.00 0.00 0.00 62.75 63.31 1j7h n ILE 72 Cb 0.72 -2.41 -0.14 0.00 -0.71 0.00 0.00 39.64 37.10 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 6.51 1.23 -4.05 1.39 -1.51 -1.35 -3.39 116.25 115.08 1j7h h VAL 73 Ca -0.44 -2.94 -0.16 0.00 -1.23 0.00 0.00 66.70 61.93 1j7h h VAL 73 Cb 1.25 2.71 -0.19 0.00 -2.13 0.00 0.00 31.29 32.92 1j7h h VAL 73 CO 0.95 0.79 -0.70 -0.75 -1.23 0.00 0.00 177.57 176.64 1j7h s LYS 74 N -2.64 0.40 -0.04 5.19 2.36 -1.07 0.08 119.74 124.02 1j7h s LYS 74 Ca -0.06 -0.78 -0.02 0.00 -2.55 0.00 0.00 55.97 52.57 1j7h s LYS 74 Cb 0.08 0.12 0.02 0.00 -1.05 0.00 0.00 37.83 37.00 1j7h s LYS 74 CO 0.84 -0.06 0.08 0.95 1.55 0.00 0.00 175.35 178.71 1j7h s THR 75 N -2.11 -0.03 0.13 3.43 -4.23 0.98 -0.11 115.64 113.69 1j7h s THR 75 Ca -0.10 0.10 0.08 0.00 -1.18 0.00 0.00 61.69 60.60 1j7h s THR 75 Cb -0.05 -0.14 -0.04 0.00 1.34 0.00 0.00 72.50 73.61 1j7h s THR 75 CO -0.03 0.04 -0.14 -0.89 -0.54 0.00 0.00 174.62 173.06 1j7h s THR 76 N 0.59 3.08 -0.21 3.99 2.01 0.36 -2.35 115.64 123.10 1j7h s THR 76 Ca -0.05 -1.46 -0.04 0.00 0.31 0.00 0.00 61.69 60.46 1j7h s THR 76 Cb -0.06 -2.45 0.10 0.00 0.01 0.00 0.00 72.50 70.11 1j7h s THR 76 CO -0.02 0.06 0.32 -0.69 -0.69 0.00 0.00 174.62 173.60 1j7h s VAL 77 N -1.28 -0.50 -0.47 3.82 1.01 -1.19 -0.92 120.40 120.87 1j7h s VAL 77 Ca 0.20 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 1j7h s VAL 77 Cb -0.10 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.62 1j7h s VAL 77 CO 0.12 -0.08 0.64 -0.36 0.00 0.00 0.00 175.10 175.43 1j7h s PHE 78 N 2.47 3.04 0.01 5.22 0.08 -1.18 -2.77 117.98 124.85 1j7h s PHE 78 Ca 0.07 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 56.84 1j7h s PHE 78 Cb -0.15 -3.45 -0.04 0.00 -0.57 0.00 0.00 43.02 38.82 1j7h s PHE 78 CO -0.13 -0.96 0.13 0.14 -0.10 0.00 0.00 175.22 174.30 1j7h s VAL 79 N 2.79 5.04 -1.92 -0.44 -7.23 -1.01 -0.94 120.40 116.68 1j7h s VAL 79 Ca 0.19 -0.34 0.28 0.00 -1.81 0.00 0.00 61.98 60.31 1j7h s VAL 79 Cb -0.16 -3.35 0.49 0.00 0.56 0.00 0.00 36.38 33.92 1j7h s VAL 79 CO 0.16 0.31 1.81 2.29 -0.31 0.00 0.00 175.10 179.35 1j7h n LYS 80 N 0.96 1.00 -3.60 4.82 2.85 -1.06 0.21 118.16 123.35 1j7h n LYS 80 Ca -0.11 -0.45 -0.03 0.00 -1.05 0.00 0.00 58.31 56.67 1j7h n LYS 80 Cb 0.52 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.36 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 -2.31 -0.78 0.07 -5.58 2.15 -1.26 -4.83 116.67 104.13 1j7h s ASP 81 Ca 0.32 1.17 0.13 0.00 0.43 0.00 0.00 52.55 54.61 1j7h s ASP 81 Cb 0.20 1.58 0.59 0.00 -0.30 0.00 0.00 42.92 44.99 1j7h s ASP 81 CO 0.44 -0.18 1.42 0.18 -0.17 0.00 0.00 175.17 176.86 1j7h n LEU 82 N 4.50 0.15 0.22 -1.34 4.77 -1.26 -1.71 117.00 122.34 1j7h n LEU 82 Ca -0.16 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.49 1j7h n LEU 82 Cb 0.55 -0.53 0.26 0.00 -2.33 0.00 0.00 43.42 41.36 1j7h n LEU 82 CO -0.02 -0.40 0.81 0.78 -1.33 0.00 0.00 177.39 177.24 1j7h h ASN 83 N 0.00 0.00 -0.41 -1.43 2.35 -2.00 -3.03 115.58 111.06 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 0.05 0.00 0.47 -1.65 0.00 0.00 177.43 176.30 1j7h n ASP 84 N -3.12 2.82 0.06 5.81 8.00 -0.69 -4.08 116.55 125.35 1j7h n ASP 84 Ca 0.03 -1.93 -0.04 0.00 0.71 0.00 0.00 54.79 53.57 1j7h n ASP 84 Cb 0.51 -0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 41.26 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 3.41 0.00 -0.42 1.24 3.57 -1.63 -3.14 116.94 119.97 1j7h h PHE 85 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1j7h h PHE 85 Cb 0.76 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1j7h h PHE 85 CO 0.27 0.80 0.14 0.00 -2.23 0.00 0.00 178.31 177.29 1j7h h ALA 86 N 1.20 1.47 0.09 2.41 0.00 -1.75 0.81 119.26 123.49 1j7h h ALA 86 Ca -0.10 -0.13 -0.28 0.00 0.00 0.00 0.00 54.91 54.40 1j7h h ALA 86 Cb 1.69 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1j7h h ALA 86 CO 0.09 0.40 -1.36 0.00 0.00 0.00 0.00 179.25 178.38 1j7h h ALA 87 N 1.56 0.28 0.09 0.00 0.00 -1.83 -3.11 119.26 116.25 1j7h h ALA 87 Ca 0.14 -1.04 -0.20 0.00 0.00 0.00 0.00 54.91 53.81 1j7h h ALA 87 Cb 0.16 0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1j7h h ALA 87 CO -0.01 1.15 -0.85 0.28 0.00 0.00 0.00 179.25 179.82 1j7h h VAL 88 N 0.05 1.42 -0.28 0.00 2.07 -1.43 -2.79 116.25 115.30 1j7h h VAL 88 Ca -0.17 -2.35 -0.02 0.00 0.82 0.00 0.00 66.70 64.98 1j7h h VAL 88 Cb 1.95 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 34.57 1j7h h VAL 88 CO 0.16 0.69 0.09 -1.13 0.02 0.00 0.00 177.57 177.40 1j7h h ASN 89 N -0.11 0.35 -0.02 0.57 -0.73 0.50 0.94 115.58 117.08 1j7h h ASN 89 Ca -0.13 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 57.98 1j7h h ASN 89 Cb 1.60 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 40.10 1j7h h ASN 89 CO 0.16 0.34 -0.11 0.00 -0.37 0.00 0.00 177.43 177.46 1j7h h ALA 90 N 1.71 0.04 0.00 1.57 0.00 -1.60 -2.96 119.26 118.03 1j7h h ALA 90 Ca 0.10 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1j7h h ALA 90 Cb 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1j7h h ALA 90 CO -0.01 -0.05 -0.76 1.49 0.00 0.00 0.00 179.25 179.92 1j7h h GLU 91 N -0.50 0.00 -0.57 0.00 4.57 -1.29 -2.53 114.58 114.26 1j7h h GLU 91 Ca -0.01 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1j7h h GLU 91 Cb 0.77 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 1j7h h GLU 91 CO 0.02 0.76 0.13 -0.92 -1.18 0.00 0.00 179.01 177.82 1j7h h TYR 92 N 0.00 0.91 0.00 0.92 5.03 0.84 -2.46 116.97 122.21 1j7h h TYR 92 Ca -0.01 -0.09 -0.17 0.00 2.58 0.00 0.00 58.73 61.04 1j7h h TYR 92 Cb 1.36 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 39.35 1j7h h TYR 92 CO 0.00 0.77 -1.00 1.49 -1.32 0.00 0.00 178.16 178.09 1j7h h GLU 93 N 0.85 0.00 -0.21 1.82 4.81 -1.52 -2.87 114.58 117.46 1j7h h GLU 93 Ca 0.18 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1j7h h GLU 93 Cb 0.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1j7h h GLU 93 CO 0.00 0.61 -0.25 -0.09 -0.73 0.00 0.00 179.01 178.54 1j7h h ARG 94 N 0.00 0.39 0.09 1.92 1.12 -1.17 -2.28 114.38 114.44 1j7h h ARG 94 Ca -0.08 -0.14 -0.30 0.00 -1.11 0.00 0.00 59.98 58.35 1j7h h ARG 94 Cb 1.63 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 31.54 1j7h h ARG 94 CO 0.08 0.62 -1.57 0.27 -3.11 0.00 0.00 179.97 176.27 1j7h h PHE 95 N 0.35 0.33 0.35 2.20 -5.15 -1.54 -3.14 116.94 110.34 1j7h h PHE 95 Ca 0.05 -0.24 -0.01 0.00 -0.20 0.00 0.00 57.97 57.58 1j7h h PHE 95 Cb 0.64 -0.01 -0.01 0.00 0.22 0.00 0.00 35.95 36.78 1j7h h PHE 95 CO 0.02 1.32 -0.27 0.74 -2.00 0.00 0.00 178.31 178.12 1j7h h PHE 96 N 0.05 -0.71 -0.28 6.09 -1.00 -1.40 0.90 116.94 120.60 1j7h h PHE 96 Ca -0.25 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.53 1j7h h PHE 96 Cb 2.00 0.26 -0.01 0.00 3.61 0.00 0.00 35.95 41.81 1j7h h PHE 96 CO 0.05 -0.40 0.18 1.57 -1.61 0.00 0.00 178.31 178.10 1j7h h LYS 97 N -0.62 0.36 -0.01 1.51 2.10 -1.57 0.33 116.57 118.68 1j7h h LYS 97 Ca -0.03 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1j7h h LYS 97 Cb 0.53 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1j7h h LYS 97 CO -0.01 0.24 -0.02 0.39 -2.00 0.00 0.00 179.45 178.05 1j7h n GLU 98 N -4.50 1.27 0.00 0.07 1.02 -0.67 -3.24 120.64 114.60 1j7h n GLU 98 Ca 0.01 -0.51 0.11 0.00 -0.02 0.00 0.00 57.16 56.75 1j7h n GLU 98 Cb 0.07 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 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 -0.42 0.23 0.00 1.62 4.13 0.30 -4.97 115.26 116.16 1j7h n ASN 99 Ca 0.20 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.34 1j7h n ASN 99 Cb 0.26 1.68 0.00 0.00 -1.54 0.00 0.00 39.78 40.18 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 -2.18 0.00 -3.25 6.41 3.02 -0.73 -4.54 115.26 114.00 1j7h n ASN 100 Ca -0.02 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.27 1j7h n ASN 100 Cb 0.53 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 1j7h n ASN 100 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1j7h n HIS 101 N -1.10 3.01 0.40 3.10 -0.00 -0.66 -4.36 115.22 115.62 1j7h n HIS 101 Ca 0.00 -4.02 0.14 0.00 0.46 0.00 0.00 57.72 54.30 1j7h n HIS 101 Cb 0.00 -0.50 0.47 0.00 -0.12 0.00 0.00 29.99 29.84 1j7h n HIS 101 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1j7h h PRO 102 N 3.75 0.00 -0.26 1.57 0.13 -1.84 -3.12 132.00 132.24 1j7h h PRO 102 Ca 0.16 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.18 1j7h h PRO 102 Cb 0.67 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1j7h h PRO 102 CO 0.76 0.00 -0.30 -0.97 -0.23 0.00 0.00 178.00 177.26 1j7h h ASN 103 N 0.00 0.54 -3.32 1.44 -1.24 -1.97 -3.50 115.58 107.54 1j7h h ASN 103 Ca 0.00 -0.20 0.00 0.00 0.71 0.00 0.00 56.30 56.81 1j7h h ASN 103 Cb 0.59 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.49 1j7h h ASN 103 CO 0.00 0.82 -0.19 0.49 -1.29 0.00 0.00 177.43 177.26 1j7h n PHE 104 N -4.09 -0.99 -2.04 0.67 3.72 -1.18 -5.05 117.46 108.50 1j7h n PHE 104 Ca -0.01 0.60 -0.28 0.00 -0.05 0.00 0.00 57.45 57.71 1j7h n PHE 104 Cb 0.45 -2.32 0.07 0.00 -0.94 0.00 0.00 39.48 36.74 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 -2.58 2.24 0.92 -1.08 0.04 -1.26 -5.01 135.00 128.26 1j7h s PRO 105 Ca 0.00 0.02 -0.12 0.00 0.04 0.00 0.00 61.00 60.94 1j7h s PRO 105 Cb 0.00 -2.06 0.09 0.00 0.04 0.00 0.00 34.50 32.57 1j7h s PRO 105 CO 0.00 -1.33 0.81 0.00 0.04 0.00 0.00 177.00 176.52 1j7h n ALA 106 N -3.08 -1.57 -2.56 8.56 0.00 0.11 -4.63 120.51 117.35 1j7h n ALA 106 Ca 0.08 -0.55 -0.23 0.00 0.00 0.00 0.00 53.44 52.73 1j7h n ALA 106 Cb 0.60 -2.01 -0.14 0.00 0.00 0.00 0.00 19.45 17.89 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 -4.09 1.19 -0.43 0.00 3.52 -1.25 -0.01 118.95 117.86 1j7h s ARG 107 Ca 0.63 -0.70 0.08 0.00 -0.13 0.00 0.00 55.73 55.61 1j7h s ARG 107 Cb -0.23 -1.19 0.28 0.00 -1.56 0.00 0.00 34.95 32.24 1j7h s ARG 107 CO 0.62 0.31 0.79 0.45 -0.81 0.00 0.00 175.30 176.66 1j7h n SER 108 N 2.28 -1.23 -4.84 -2.12 2.88 -0.99 -4.97 113.62 104.63 1j7h n SER 108 Ca -0.16 -3.14 -0.37 0.00 -1.33 0.00 0.00 58.87 53.87 1j7h n SER 108 Cb 0.54 0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 64.62 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 -0.87 -0.00 -1.01 0.00 -7.23 -1.12 -4.98 120.40 105.20 1j7h s VAL 110 Ca 0.19 0.01 -0.24 0.00 -1.81 0.00 0.00 61.98 60.13 1j7h s VAL 110 Cb -0.14 -0.28 -0.05 0.00 0.56 0.00 0.00 36.38 36.47 1j7h s VAL 110 CO 0.08 0.00 1.90 -0.70 -0.31 0.00 0.00 175.10 176.07 1j7h s GLU 111 N 0.15 2.66 0.66 4.82 2.12 -1.25 -2.39 118.70 125.47 1j7h s GLU 111 Ca -0.00 -0.66 -0.14 0.00 0.36 0.00 0.00 54.97 54.52 1j7h s GLU 111 Cb -0.02 -5.15 -0.00 0.00 0.26 0.00 0.00 34.13 29.22 1j7h s GLU 111 CO -0.00 -3.43 1.09 0.14 -0.54 0.00 0.00 175.26 172.52 1j7h s VAL 112 N 9.78 3.44 0.05 3.70 -7.23 0.13 -4.94 120.40 125.33 1j7h s VAL 112 Ca 0.67 0.63 -0.20 0.00 -1.81 0.00 0.00 61.98 61.27 1j7h s VAL 112 Cb -0.04 -3.16 -0.13 0.00 0.56 0.00 0.00 36.38 33.61 1j7h s VAL 112 CO 0.03 -0.45 1.42 0.00 -0.31 0.00 0.00 175.10 175.79 1j7h h ALA 113 N -0.08 0.23 -2.95 1.32 0.00 -1.92 -3.38 119.26 112.48 1j7h h ALA 113 Ca -0.46 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.07 1j7h h ALA 113 Cb 1.24 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1j7h h ALA 113 CO 0.55 0.01 0.02 1.03 0.00 0.00 0.00 179.25 180.86 1j7h s ARG 114 N -4.66 1.98 0.05 0.00 1.81 -1.26 -4.96 118.95 111.91 1j7h s ARG 114 Ca -0.14 -1.52 -0.10 0.00 -1.72 0.00 0.00 55.73 52.24 1j7h s ARG 114 Cb 0.06 0.53 0.01 0.00 -0.45 0.00 0.00 34.95 35.09 1j7h s ARG 114 CO 0.74 -0.87 0.22 -0.51 -0.68 0.00 0.00 175.30 174.19 1j7h s LEU 115 N -3.13 1.26 0.29 2.53 1.43 -1.26 -5.02 118.68 114.79 1j7h s LEU 115 Ca 0.23 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.67 1j7h s LEU 115 Cb -0.03 1.06 -0.13 0.00 0.03 0.00 0.00 46.19 47.13 1j7h s LEU 115 CO 0.15 -0.59 1.39 -0.81 0.23 0.00 0.00 176.35 176.72 1j7h n PRO 116 N 0.58 2.19 -1.06 1.29 -0.04 -1.26 -1.50 135.00 135.20 1j7h n PRO 116 Ca -0.18 0.77 -0.02 0.00 -0.04 0.00 0.00 63.50 64.03 1j7h n PRO 116 Cb 0.59 -2.42 -0.01 0.00 -0.04 0.00 0.00 33.50 31.62 1j7h n PRO 116 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1j7h n LYS 117 N 1.44 -0.46 -1.31 0.54 3.00 -1.26 -3.01 118.16 117.10 1j7h n LYS 117 Ca 0.08 0.35 -0.11 0.00 -0.00 0.00 0.00 58.31 58.63 1j7h n LYS 117 Cb 0.34 -3.87 -0.05 0.00 0.00 0.00 0.00 35.03 31.46 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 0.29 -5.31 -4.65 3.14 2.03 -0.56 -4.76 116.55 106.72 1j7h n ASP 118 Ca -0.02 0.26 -0.39 0.00 0.52 0.00 0.00 54.79 55.16 1j7h n ASP 118 Cb 0.15 -3.75 0.03 0.00 -0.72 0.00 0.00 41.12 36.83 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 -2.35 3.19 0.56 5.18 0.24 -1.16 -4.89 118.33 119.10 1j7h n VAL 119 Ca -0.11 -0.50 0.12 0.00 -2.04 0.00 0.00 64.34 61.82 1j7h n VAL 119 Cb 0.52 -1.31 0.22 0.00 -1.47 0.00 0.00 33.84 31.80 1j7h n VAL 119 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1j7h h GLY 120 N 1.20 0.00 -4.63 7.63 0.00 -1.91 -3.38 103.07 101.97 1j7h h GLY 120 Ca -0.48 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 1j7h h GLY 120 CO 0.55 0.00 -0.21 1.08 0.00 0.00 0.00 176.54 177.96 1j7h s LEU 121 N -4.36 0.58 0.19 3.11 1.43 -1.26 -2.55 118.68 115.81 1j7h s LEU 121 Ca 0.07 0.33 0.10 0.00 -1.03 0.00 0.00 54.13 53.60 1j7h s LEU 121 Cb 0.13 1.44 -0.04 0.00 0.03 0.00 0.00 46.19 47.75 1j7h s LEU 121 CO 0.69 -0.39 -0.21 -0.70 0.23 0.00 0.00 176.35 175.97 1j7h s GLU 122 N -0.94 1.41 -0.04 1.70 2.12 -0.12 -4.17 118.70 118.66 1j7h s GLU 122 Ca -0.10 -1.49 0.02 0.00 0.36 0.00 0.00 54.97 53.76 1j7h s GLU 122 Cb -0.04 -1.58 0.01 0.00 0.26 0.00 0.00 34.13 32.78 1j7h s GLU 122 CO 0.04 0.33 -0.10 0.42 -0.54 0.00 0.00 175.26 175.41 1j7h s ILE 123 N -1.95 0.92 0.06 -3.70 -1.09 0.22 -3.09 121.20 112.57 1j7h s ILE 123 Ca 0.19 -0.40 -0.17 0.00 -2.23 0.00 0.00 60.65 58.04 1j7h s ILE 123 Cb -0.06 -0.83 0.03 0.00 -1.58 0.00 0.00 42.46 40.02 1j7h s ILE 123 CO 0.09 0.29 0.38 -0.70 -1.23 0.00 0.00 174.94 173.77 1j7h s GLU 124 N 0.38 0.92 -0.15 2.79 2.12 -0.10 0.12 118.70 124.79 1j7h s GLU 124 Ca -0.07 -0.47 -0.34 0.00 0.36 0.00 0.00 54.97 54.44 1j7h s GLU 124 Cb -0.11 0.41 0.14 0.00 0.26 0.00 0.00 34.13 34.82 1j7h s GLU 124 CO 0.01 -0.32 1.33 0.00 -0.54 0.00 0.00 175.26 175.74 1j7h s ALA 125 N -2.78 -2.25 0.03 6.30 0.00 -1.26 0.13 121.76 121.93 1j7h s ALA 125 Ca -0.03 1.28 0.07 0.00 0.00 0.00 0.00 51.96 53.28 1j7h s ALA 125 Cb -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1j7h s ALA 125 CO -0.05 -0.82 -0.21 0.42 0.00 0.00 0.00 175.76 175.11 1j7h s ILE 126 N -2.23 1.66 0.15 0.00 -1.09 0.84 -2.58 121.20 117.94 1j7h s ILE 126 Ca 0.13 -1.12 0.06 0.00 -2.23 0.00 0.00 60.65 57.48 1j7h s ILE 126 Cb 0.03 -1.42 -0.04 0.00 -1.58 0.00 0.00 42.46 39.44 1j7h s ILE 126 CO -0.04 0.27 -0.12 0.00 -1.23 0.00 0.00 174.94 173.81 1j7h s ALA 127 N -0.72 1.58 0.19 9.38 0.00 -0.26 -0.97 121.76 130.96 1j7h s ALA 127 Ca 0.08 -1.45 0.10 0.00 0.00 0.00 0.00 51.96 50.68 1j7h s ALA 127 Cb -0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1j7h s ALA 127 CO 0.01 0.01 -0.13 0.14 0.00 0.00 0.00 175.76 175.79 1j7h s VAL 128 N -2.81 2.97 -0.35 0.00 -7.23 -0.91 0.14 120.40 112.21 1j7h s VAL 128 Ca 0.15 -1.80 0.12 0.00 -1.81 0.00 0.00 61.98 58.64 1j7h s VAL 128 Cb -0.01 -2.47 0.45 0.00 0.56 0.00 0.00 36.38 34.91 1j7h s VAL 128 CO 0.03 -0.14 1.07 -1.14 -0.31 0.00 0.00 175.10 174.60 1j7h n ARG 129 N 0.00 2.43 -0.41 4.82 0.00 0.27 -4.80 116.66 118.97 1j7h n ARG 129 Ca -0.11 -3.88 0.00 0.00 -0.00 0.00 0.00 57.85 53.86 1j7h n ARG 129 Cb 0.56 -1.82 0.00 0.00 0.00 0.00 0.00 32.46 31.20 1j7h n ARG 129 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26