#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9w n ASN 2 N 0.00 -6.68 -4.87 0.00 2.85 -1.26 -4.97 115.26 100.34 1m9w n ASN 2 Ca 0.00 0.05 -0.30 0.00 -0.11 0.00 0.00 54.58 54.22 1m9w n ASN 2 Cb 0.00 -3.57 0.06 0.00 1.24 0.00 0.00 39.78 37.51 1m9w n ASN 2 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1m9w s ALA 3 N -2.26 2.74 -0.10 5.20 0.00 0.57 -4.94 121.76 122.97 1m9w s ALA 3 Ca 0.25 -0.34 -0.14 0.00 0.00 0.00 0.00 51.96 51.73 1m9w s ALA 3 Cb -0.04 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 20.07 1m9w s ALA 3 CO 0.82 -1.30 0.36 0.99 0.00 0.00 0.00 175.76 176.63 1m9w s THR 4 N -3.33 0.01 0.02 0.00 2.01 -1.26 -1.41 115.64 111.68 1m9w s THR 4 Ca 0.59 -0.12 -0.14 0.00 0.31 0.00 0.00 61.69 62.33 1m9w s THR 4 Cb -0.12 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.86 1m9w s THR 4 CO 0.52 -0.07 0.30 0.54 -0.69 0.00 0.00 174.62 175.23 1m9w s VAL 5 N -0.22 0.07 -0.18 3.82 0.11 -0.56 -4.46 120.40 118.98 1m9w s VAL 5 Ca -0.04 -0.61 -0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1m9w s VAL 5 Cb -0.03 -0.82 0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1m9w s VAL 5 CO 0.02 -0.34 -0.16 -0.54 -3.33 0.00 0.00 175.10 170.75 1m9w s LYS 6 N -2.11 3.11 -0.20 1.54 1.02 -0.11 -1.25 119.74 121.74 1m9w s LYS 6 Ca -0.08 -0.77 -0.26 0.00 0.02 0.00 0.00 55.97 54.87 1m9w s LYS 6 Cb -0.02 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1m9w s LYS 6 CO -0.01 -0.17 0.90 -1.64 -0.92 0.00 0.00 175.35 173.51 1m9w s MET 7 N 1.25 4.27 0.00 1.68 -1.94 0.11 -0.96 119.30 123.71 1m9w s MET 7 Ca 0.03 1.11 0.00 0.00 -1.71 0.00 0.00 55.69 55.13 1m9w s MET 7 Cb -0.14 -3.61 0.00 0.00 2.01 0.00 0.00 34.83 33.10 1m9w s MET 7 CO -0.08 -0.45 0.00 0.41 -0.01 0.00 0.00 175.02 174.89 1m9w n GLY 8 N 3.47 -1.77 3.71 -0.03 0.00 -0.36 -0.40 105.19 109.81 1m9w n GLY 8 Ca 0.07 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1m9w n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m9w s SER 9 N 0.00 3.91 0.66 1.61 0.15 -0.04 -3.07 113.70 116.92 1m9w s SER 9 Ca 0.00 2.34 0.34 0.00 0.70 0.00 0.00 55.95 59.33 1m9w s SER 9 Cb 0.00 -2.59 1.86 0.00 -1.71 0.00 0.00 66.02 63.58 1m9w s SER 9 CO 0.00 -2.45 2.06 0.44 1.20 0.00 0.00 173.24 174.49 1m9w h ASP 10 N -0.62 0.00 0.22 5.45 3.32 -1.92 0.20 116.42 123.07 1m9w h ASP 10 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1m9w h ASP 10 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1m9w h ASP 10 CO 0.48 0.00 -0.07 -1.20 -1.72 0.00 0.00 179.24 176.72 1m9w n SER 11 N -3.01 0.59 0.00 6.45 7.64 -1.26 -4.91 113.62 119.12 1m9w n SER 11 Ca -0.02 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1m9w n SER 11 Cb 0.30 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1m9w n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1m9w n GLY 12 N 1.21 0.59 3.70 0.23 0.00 0.06 -5.04 105.19 105.94 1m9w n GLY 12 Ca 0.17 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1m9w n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9w s ALA 13 N -2.00 3.27 -0.58 4.61 0.00 -1.25 -4.84 121.76 120.97 1m9w s ALA 13 Ca 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.22 1m9w s ALA 13 Cb 0.00 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.74 1m9w s ALA 13 CO 0.00 -0.30 1.77 1.28 0.00 0.00 0.00 175.76 178.51 1m9w n LEU 14 N 4.18 3.23 -4.02 0.00 7.99 -1.26 -0.86 117.00 126.25 1m9w n LEU 14 Ca 0.05 -2.35 -0.08 0.00 -0.01 0.00 0.00 56.01 53.62 1m9w n LEU 14 Cb 0.50 -0.91 -0.10 0.00 -0.11 0.00 0.00 43.42 42.80 1m9w n LEU 14 CO 0.51 -0.36 -0.34 0.54 -1.51 0.00 0.00 177.39 176.22 1m9w s VAL 15 N 4.63 0.16 -0.14 4.08 0.11 -1.26 -3.49 120.40 124.50 1m9w s VAL 15 Ca 0.41 -1.35 -0.07 0.00 -2.93 0.00 0.00 61.98 58.04 1m9w s VAL 15 Cb 0.10 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1m9w s VAL 15 CO 0.06 -0.74 0.11 0.72 -3.33 0.00 0.00 175.10 171.92 1m9w s PHE 16 N -2.74 3.46 -0.26 1.54 -0.12 -1.26 -1.22 117.98 117.38 1m9w s PHE 16 Ca -0.04 0.39 0.02 0.00 -0.05 0.00 0.00 56.93 57.25 1m9w s PHE 16 Cb -0.01 -1.98 0.06 0.00 -0.63 0.00 0.00 43.02 40.47 1m9w s PHE 16 CO -0.06 0.55 -0.08 -1.83 -0.05 0.00 0.00 175.22 173.75 1m9w s GLU 17 N -0.58 1.97 0.28 1.99 -1.05 -0.13 -1.01 118.70 120.17 1m9w s GLU 17 Ca 0.12 -1.28 -0.29 0.00 -0.15 0.00 0.00 54.97 53.38 1m9w s GLU 17 Cb -0.12 -2.81 -0.09 0.00 -0.44 0.00 0.00 34.13 30.67 1m9w s GLU 17 CO 0.02 -0.61 0.99 -1.25 0.95 0.00 0.00 175.26 175.36 1m9w s PRO 18 N 1.18 4.70 0.27 -4.83 0.04 -1.26 -0.93 135.00 134.16 1m9w s PRO 18 Ca -0.06 1.54 0.26 0.00 0.04 0.00 0.00 61.00 62.77 1m9w s PRO 18 Cb -0.20 -3.11 0.83 0.00 0.04 0.00 0.00 34.50 32.07 1m9w s PRO 18 CO -0.06 0.34 1.75 0.77 0.04 0.00 0.00 177.00 179.85 1m9w h SER 19 N 3.75 0.00 -3.42 6.66 0.02 -1.42 -3.43 113.55 115.70 1m9w h SER 19 Ca -0.46 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.39 1m9w h SER 19 Cb 1.20 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.49 1m9w h SER 19 CO 0.67 0.00 -0.21 -0.89 -1.14 0.00 0.00 176.83 175.25 1m9w s THR 20 N -3.20 -0.01 0.16 -2.27 2.01 -1.25 -1.43 115.64 109.65 1m9w s THR 20 Ca 0.08 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.11 1m9w s THR 20 Cb 0.10 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1m9w s THR 20 CO 0.55 0.02 0.10 0.54 -0.69 0.00 0.00 174.62 175.15 1m9w s VAL 21 N 1.05 0.06 -0.13 3.82 0.11 -1.25 -5.00 120.40 119.06 1m9w s VAL 21 Ca -0.06 -1.91 -0.03 0.00 -2.93 0.00 0.00 61.98 57.05 1m9w s VAL 21 Cb -0.06 -2.20 0.05 0.00 -1.53 0.00 0.00 36.38 32.63 1m9w s VAL 21 CO -0.09 -0.28 0.04 0.28 -3.33 0.00 0.00 175.10 171.72 1m9w s THR 22 N -4.08 0.25 0.12 5.04 -1.32 -1.26 -1.06 115.64 113.34 1m9w s THR 22 Ca 0.29 -0.15 0.01 0.00 -1.21 0.00 0.00 61.69 60.64 1m9w s THR 22 Cb 0.07 -0.67 -0.01 0.00 -1.51 0.00 0.00 72.50 70.38 1m9w s THR 22 CO 0.06 -0.05 0.05 2.30 -2.21 0.00 0.00 174.62 174.77 1m9w n ILE 23 N 5.17 0.00 -4.55 5.08 -5.35 -0.57 -3.92 119.36 115.21 1m9w n ILE 23 Ca -0.07 -0.74 -0.25 0.00 -0.27 0.00 0.00 62.75 61.41 1m9w n ILE 23 Cb 0.49 0.28 -0.10 0.00 -1.74 0.00 0.00 39.64 38.57 1m9w n ILE 23 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1m9w s LYS 24 N -2.48 1.84 -0.98 6.28 -2.85 -1.26 -0.65 119.74 119.64 1m9w s LYS 24 Ca 0.07 -2.06 -0.26 0.00 -1.00 0.00 0.00 55.97 52.73 1m9w s LYS 24 Cb 0.00 -1.19 -0.18 0.00 -2.06 0.00 0.00 37.83 34.41 1m9w s LYS 24 CO 0.05 -0.18 2.19 0.00 0.10 0.00 0.00 175.35 177.52 1m9w s ALA 25 N -3.04 0.70 0.00 0.59 0.00 -1.26 -0.83 121.76 117.93 1m9w s ALA 25 Ca 0.32 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1m9w s ALA 25 Cb 0.08 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.55 1m9w s ALA 25 CO 0.15 -6.36 0.00 0.41 0.00 0.00 0.00 175.76 169.96 1m9w n GLY 26 N 6.39 1.74 3.94 0.00 0.00 -0.93 -4.84 105.19 111.50 1m9w n GLY 26 Ca 0.43 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 1m9w n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1m9w s GLU 27 N 0.00 2.31 0.30 1.61 2.12 -0.01 -4.98 118.70 120.05 1m9w s GLU 27 Ca 0.00 -1.85 0.11 0.00 0.36 0.00 0.00 54.97 53.59 1m9w s GLU 27 Cb 0.00 -2.29 -0.06 0.00 0.26 0.00 0.00 34.13 32.04 1m9w s GLU 27 CO 0.00 -0.63 -0.16 -1.83 -0.54 0.00 0.00 175.26 172.11 1m9w s GLU 28 N -4.37 1.70 -0.27 4.30 -1.05 -1.26 -3.31 118.70 114.44 1m9w s GLU 28 Ca 0.44 -1.82 -0.01 0.00 -0.15 0.00 0.00 54.97 53.43 1m9w s GLU 28 Cb -0.03 -1.69 0.13 0.00 -0.44 0.00 0.00 34.13 32.10 1m9w s GLU 28 CO 0.27 0.25 0.33 0.08 0.95 0.00 0.00 175.26 177.13 1m9w s VAL 29 N -2.59 -0.49 -0.43 1.83 1.01 0.05 -0.31 120.40 119.47 1m9w s VAL 29 Ca 0.30 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 1m9w s VAL 29 Cb -0.02 -0.90 0.08 0.00 0.00 0.00 0.00 36.38 35.55 1m9w s VAL 29 CO 0.15 -0.31 0.29 -1.59 0.00 0.00 0.00 175.10 173.64 1m9w s LYS 30 N 2.44 2.62 -0.27 2.72 -2.85 -0.50 -0.93 119.74 122.96 1m9w s LYS 30 Ca 0.10 -1.50 -0.10 0.00 -1.00 0.00 0.00 55.97 53.48 1m9w s LYS 30 Cb -0.14 -3.84 -0.04 0.00 -2.06 0.00 0.00 37.83 31.75 1m9w s LYS 30 CO -0.25 -1.00 0.14 1.67 0.10 0.00 0.00 175.35 176.01 1m9w s TRP 31 N 1.43 3.17 0.09 1.78 -2.14 -1.11 -1.49 118.94 120.67 1m9w s TRP 31 Ca 0.03 -0.15 0.02 0.00 2.66 0.00 0.00 56.10 58.67 1m9w s TRP 31 Cb -0.24 -2.33 -0.04 0.00 -3.10 0.00 0.00 33.47 27.77 1m9w s TRP 31 CO 0.02 -0.26 0.15 0.08 -2.66 0.00 0.00 176.95 174.27 1m9w s VAL 32 N 1.69 4.85 -0.38 -0.66 1.01 -0.38 -1.35 120.40 125.18 1m9w s VAL 32 Ca 0.07 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 1m9w s VAL 32 Cb -0.16 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1m9w s VAL 32 CO 0.08 0.07 1.12 0.21 0.00 0.00 0.00 175.10 176.57 1m9w s ASN 33 N -2.63 6.80 0.00 3.32 3.84 0.50 0.05 114.94 126.82 1m9w s ASN 33 Ca 0.32 0.84 0.00 0.00 0.21 0.00 0.00 52.86 54.22 1m9w s ASN 33 Cb -0.12 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.03 1m9w s ASN 33 CO 0.25 -1.04 0.00 -3.20 -2.79 0.00 0.00 177.10 170.32 1m9w n ASN 34 N 7.31 3.10 -3.66 -4.21 5.15 0.46 -0.98 115.26 122.42 1m9w n ASN 34 Ca 0.12 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.00 1m9w n ASN 34 Cb 0.48 0.39 -0.05 0.00 -0.53 0.00 0.00 39.78 40.07 1m9w n ASN 34 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1m9w s LYS 35 N -1.52 1.02 0.00 1.20 2.20 -0.67 -4.93 119.74 117.03 1m9w s LYS 35 Ca 0.00 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1m9w s LYS 35 Cb 0.00 0.44 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 1m9w s LYS 35 CO 0.00 -0.38 0.00 -0.11 -0.36 0.00 0.00 175.35 174.50 1m9w n LEU 36 N -0.08 0.00 -1.14 5.43 -0.00 -1.26 -4.44 117.00 115.51 1m9w n LEU 36 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1m9w n LEU 36 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 1m9w n LEU 36 CO 0.18 0.00 -0.34 -1.20 -0.00 0.00 0.00 177.39 176.03 1m9w n SER 37 N 2.84 -6.18 -3.84 1.96 7.64 -1.26 -5.08 113.62 109.71 1m9w n SER 37 Ca 0.00 1.25 -0.30 0.00 1.01 0.00 0.00 58.87 60.83 1m9w n SER 37 Cb 0.00 -3.34 0.23 0.00 -1.01 0.00 0.00 64.21 60.09 1m9w n SER 37 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1m9w s PRO 38 N -4.87 -0.59 0.08 1.43 0.04 -1.26 -5.09 135.00 124.75 1m9w s PRO 38 Ca 0.00 -0.30 -0.07 0.00 0.04 0.00 0.00 61.00 60.66 1m9w s PRO 38 Cb 0.00 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 32.84 1m9w s PRO 38 CO 0.00 -3.25 0.15 -3.38 0.04 0.00 0.00 177.00 170.56 1m9w s HIS 39 N -3.43 0.23 0.04 0.56 -3.43 0.53 -4.99 115.29 104.80 1m9w s HIS 39 Ca 0.74 -0.68 -0.13 0.00 -0.80 0.00 0.00 55.06 54.18 1m9w s HIS 39 Cb -0.06 -0.13 0.02 0.00 -1.43 0.00 0.00 32.58 30.99 1m9w s HIS 39 CO 0.55 -0.52 0.29 1.21 -2.00 0.00 0.00 174.74 174.27 1m9w s ASN 40 N -2.88 -0.11 -0.40 7.38 3.84 -1.26 -0.48 114.94 121.04 1m9w s ASN 40 Ca 0.06 -0.20 0.03 0.00 0.21 0.00 0.00 52.86 52.95 1m9w s ASN 40 Cb 0.05 0.35 0.11 0.00 -0.55 0.00 0.00 41.25 41.22 1m9w s ASN 40 CO -0.10 -0.60 0.15 -0.63 -2.79 0.00 0.00 177.10 173.13 1m9w s ILE 41 N -2.50 1.85 -0.20 -5.21 1.09 -1.26 -3.92 121.20 111.05 1m9w s ILE 41 Ca -0.05 -2.41 0.02 0.00 -1.10 0.00 0.00 60.65 57.10 1m9w s ILE 41 Cb -0.01 -2.34 0.03 0.00 -1.06 0.00 0.00 42.46 39.08 1m9w s ILE 41 CO -0.03 -0.73 -0.17 0.68 -0.10 0.00 0.00 174.94 174.59 1m9w s VAL 42 N 0.66 2.07 0.11 2.92 -7.23 0.03 0.12 120.40 119.08 1m9w s VAL 42 Ca 0.14 -1.14 -0.30 0.00 -1.81 0.00 0.00 61.98 58.86 1m9w s VAL 42 Cb -0.21 -1.97 -0.06 0.00 0.56 0.00 0.00 36.38 34.69 1m9w s VAL 42 CO -0.08 0.36 1.00 -0.36 -0.31 0.00 0.00 175.10 175.71 1m9w s PHE 43 N 1.24 3.74 -0.82 2.82 0.40 -1.26 -1.49 117.98 122.61 1m9w s PHE 43 Ca 0.01 1.73 0.15 0.00 -0.60 0.00 0.00 56.93 58.22 1m9w s PHE 43 Cb -0.15 -3.12 0.65 0.00 0.51 0.00 0.00 43.02 40.91 1m9w s PHE 43 CO -0.10 -0.02 1.47 0.00 0.70 0.00 0.00 175.22 177.26 1m9w n ALA 44 N 2.86 1.52 -2.76 5.36 0.00 0.46 -4.93 120.51 123.01 1m9w n ALA 44 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 1m9w n ALA 44 Cb 0.49 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1m9w n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m9w n ALA 45 N -1.58 -2.37 0.34 0.00 0.00 -1.26 -4.91 120.51 110.72 1m9w n ALA 45 Ca 0.02 0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.58 1m9w n ALA 45 Cb 0.15 -1.38 0.20 0.00 0.00 0.00 0.00 19.45 18.42 1m9w n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1m9w n ASP 46 N -1.52 0.00 0.00 0.00 9.92 -1.26 -4.84 116.55 118.85 1m9w n ASP 46 Ca 0.01 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.64 1m9w n ASP 46 Cb 0.49 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 1m9w n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1m9w n GLY 47 N -0.60 0.71 0.01 0.44 0.00 -1.26 -4.87 105.19 99.63 1m9w n GLY 47 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1m9w n GLY 47 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1m9w n VAL 48 N -2.00 0.05 -4.61 1.61 0.24 -1.26 -4.97 118.33 107.38 1m9w n VAL 48 Ca 0.00 -0.15 -0.31 0.00 -2.04 0.00 0.00 64.34 61.84 1m9w n VAL 48 Cb 0.00 0.55 -0.12 0.00 -1.47 0.00 0.00 33.84 32.80 1m9w n VAL 48 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1m9w s ASP 49 N -3.50 3.96 -1.33 -1.34 -4.77 -1.26 -4.70 116.67 103.73 1m9w s ASP 49 Ca 0.05 -0.38 -0.10 0.00 -3.30 0.00 0.00 52.55 48.82 1m9w s ASP 49 Cb 0.15 -0.70 0.13 0.00 -1.09 0.00 0.00 42.92 41.41 1m9w s ASP 49 CO 0.84 0.26 2.06 0.00 0.70 0.00 0.00 175.17 179.03 1m9w n ALA 50 N 1.52 5.71 -0.24 2.11 0.00 -1.26 -4.81 120.51 123.55 1m9w n ALA 50 Ca -0.16 -4.18 -0.05 0.00 0.00 0.00 0.00 53.44 49.05 1m9w n ALA 50 Cb 0.52 -3.06 0.01 0.00 0.00 0.00 0.00 19.45 16.92 1m9w n ALA 50 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1m9w h ASP 51 N 5.58 -1.25 0.11 0.00 2.03 -1.94 -0.56 116.42 120.39 1m9w h ASP 51 Ca 0.49 0.24 0.00 0.00 -0.73 0.00 0.00 57.03 57.03 1m9w h ASP 51 Cb 0.57 0.62 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1m9w h ASP 51 CO 1.66 -0.30 0.00 1.07 -1.03 0.00 0.00 179.24 180.63 1m9w n THR 52 N -5.44 0.94 -0.12 1.15 5.66 -1.26 -0.97 114.28 114.24 1m9w n THR 52 Ca 0.05 0.24 0.00 0.00 -3.05 0.00 0.00 64.05 61.28 1m9w n THR 52 Cb 0.36 -1.14 0.00 0.00 -1.55 0.00 0.00 70.33 68.00 1m9w n THR 52 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1m9w n ALA 53 N -1.29 1.92 -0.11 1.79 0.00 -0.34 -4.79 120.51 117.70 1m9w n ALA 53 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1m9w n ALA 53 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1m9w n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m9w n ALA 54 N -0.27 2.13 -2.17 0.00 0.00 -0.14 -4.98 120.51 115.07 1m9w n ALA 54 Ca 0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 53.44 52.74 1m9w n ALA 54 Cb 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.38 1m9w n ALA 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1m9w s LYS 55 N -0.27 0.86 0.47 0.00 -2.85 -0.63 -4.86 119.74 112.47 1m9w s LYS 55 Ca 0.00 -1.37 0.25 0.00 -1.00 0.00 0.00 55.97 53.86 1m9w s LYS 55 Cb 0.00 -0.12 1.14 0.00 -2.06 0.00 0.00 37.83 36.79 1m9w s LYS 55 CO 0.00 -0.07 1.92 -0.07 0.10 0.00 0.00 175.35 177.23 1m9w h LEU 56 N 2.93 0.00 -2.32 2.77 3.38 -0.66 -3.47 115.31 117.94 1m9w h LEU 56 Ca -0.35 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.62 1m9w h LEU 56 Cb 1.17 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.83 1m9w h LEU 56 CO 0.64 0.19 -1.08 -0.24 0.09 0.00 0.00 178.44 178.03 1m9w n SER 57 N -3.48 -1.22 0.00 -0.43 2.88 -1.26 -2.78 113.62 107.33 1m9w n SER 57 Ca -0.01 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1m9w n SER 57 Cb 0.35 -3.96 0.00 0.00 -0.75 0.00 0.00 64.21 59.86 1m9w n SER 57 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1m9w n HIS 58 N 1.12 0.00 -0.56 0.66 8.25 -1.26 -0.80 115.22 122.64 1m9w n HIS 58 Ca -0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 1m9w n HIS 58 Cb 0.42 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1m9w n HIS 58 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1m9w n LYS 59 N 0.11 0.38 -1.90 -0.41 3.00 -1.26 -4.99 118.16 113.09 1m9w n LYS 59 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 1m9w n LYS 59 Cb 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 35.03 35.04 1m9w n LYS 59 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1m9w s GLY 60 N 0.00 2.82 0.04 3.14 0.00 0.02 -5.00 107.32 108.35 1m9w s GLY 60 Ca 0.00 1.15 -0.01 0.00 0.00 0.00 0.00 44.72 45.86 1m9w s GLY 60 CO 0.00 1.59 -0.01 -2.27 0.00 0.00 0.00 173.10 172.41 1m9w s LEU 61 N -3.91 2.33 -0.33 0.66 2.96 -1.26 -4.58 118.68 114.54 1m9w s LEU 61 Ca 0.76 -0.82 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1m9w s LEU 61 Cb -0.35 0.24 0.10 0.00 0.50 0.00 0.00 46.19 46.67 1m9w s LEU 61 CO 0.39 -0.52 0.04 0.00 -1.32 0.00 0.00 176.35 174.94 1m9w s ALA 62 N -3.16 2.82 -0.03 5.97 0.00 0.36 -4.97 121.76 122.75 1m9w s ALA 62 Ca -0.00 -2.43 0.09 0.00 0.00 0.00 0.00 51.96 49.61 1m9w s ALA 62 Cb 0.02 -1.92 -0.14 0.00 0.00 0.00 0.00 23.12 21.09 1m9w s ALA 62 CO -0.07 -1.64 0.21 1.97 0.00 0.00 0.00 175.76 176.22 1m9w n PHE 63 N 4.29 0.00 -5.15 0.00 -1.74 -1.26 -0.34 117.46 113.25 1m9w n PHE 63 Ca 0.02 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.61 1m9w n PHE 63 Cb 0.42 -0.19 -0.16 0.00 1.52 0.00 0.00 39.48 41.06 1m9w n PHE 63 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1m9w s ALA 64 N -2.58 2.01 -0.35 1.98 0.00 -1.26 -4.58 121.76 116.98 1m9w s ALA 64 Ca -0.03 -0.94 -0.38 0.00 0.00 0.00 0.00 51.96 50.61 1m9w s ALA 64 Cb 0.06 -0.66 -0.14 0.00 0.00 0.00 0.00 23.12 22.38 1m9w s ALA 64 CO 0.37 0.36 2.05 0.00 0.00 0.00 0.00 175.76 178.54 1m9w n ALA 65 N 3.11 0.60 0.00 0.00 0.00 -1.26 -0.95 120.51 122.01 1m9w n ALA 65 Ca -0.18 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1m9w n ALA 65 Cb 0.52 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1m9w n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9w n GLY 66 N 5.99 1.24 3.69 0.00 0.00 -0.15 -5.02 105.19 110.94 1m9w n GLY 66 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 1m9w n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m9w s GLU 67 N -0.40 1.06 0.07 1.61 2.02 -0.12 -4.70 118.70 118.25 1m9w s GLU 67 Ca 0.00 0.91 -0.27 0.00 0.02 0.00 0.00 54.97 55.62 1m9w s GLU 67 Cb 0.00 -1.78 0.09 0.00 0.10 0.00 0.00 34.13 32.54 1m9w s GLU 67 CO 0.00 -2.40 0.98 -1.54 0.02 0.00 0.00 175.26 172.32 1m9w s SER 68 N -3.26 -0.23 -0.01 -0.19 1.04 -1.26 -0.37 113.70 109.42 1m9w s SER 68 Ca 0.64 -0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.85 1m9w s SER 68 Cb -0.19 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.35 1m9w s SER 68 CO 0.58 -0.71 0.03 0.72 0.98 0.00 0.00 173.24 174.83 1m9w s PHE 69 N -3.10 -0.01 -0.01 5.02 -0.71 -0.46 -4.99 117.98 113.73 1m9w s PHE 69 Ca 0.10 0.09 0.01 0.00 -1.04 0.00 0.00 56.93 56.08 1m9w s PHE 69 Cb -0.01 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1m9w s PHE 69 CO -0.03 -0.04 0.02 -0.08 -1.34 0.00 0.00 175.22 173.75 1m9w s THR 70 N 0.42 4.33 0.01 -4.49 -1.32 -1.26 -2.75 115.64 110.57 1m9w s THR 70 Ca -0.03 -0.52 0.07 0.00 -1.21 0.00 0.00 61.69 60.00 1m9w s THR 70 Cb -0.05 -2.94 -0.03 0.00 -1.51 0.00 0.00 72.50 67.98 1m9w s THR 70 CO -0.01 0.39 -0.21 -0.94 -2.21 0.00 0.00 174.62 171.64 1m9w s SER 71 N -1.54 3.54 -0.39 8.08 1.04 -0.11 -5.00 113.70 119.32 1m9w s SER 71 Ca 0.20 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.26 1m9w s SER 71 Cb -0.12 -0.53 0.16 0.00 0.10 0.00 0.00 66.02 65.63 1m9w s SER 71 CO 0.10 0.29 0.46 -0.89 0.98 0.00 0.00 173.24 174.19 1m9w s THR 72 N -0.78 -0.51 0.12 2.02 2.01 -1.26 -0.77 115.64 116.48 1m9w s THR 72 Ca 0.12 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.33 1m9w s THR 72 Cb -0.10 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 1m9w s THR 72 CO 0.02 -0.44 0.15 0.72 -0.69 0.00 0.00 174.62 174.38 1m9w s PHE 73 N 1.43 3.27 0.00 4.92 -0.12 -1.21 -4.96 117.98 121.31 1m9w s PHE 73 Ca 0.18 0.07 0.00 0.00 -0.05 0.00 0.00 56.93 57.13 1m9w s PHE 73 Cb -0.11 -1.61 0.00 0.00 -0.63 0.00 0.00 43.02 40.67 1m9w s PHE 73 CO -0.04 0.53 0.39 -2.37 -0.05 0.00 0.00 175.22 173.68 1m9w n THR 74 N -0.03 0.13 -2.99 -4.49 5.66 -1.26 -2.18 114.28 109.12 1m9w n THR 74 Ca -0.08 -0.34 -0.44 0.00 -3.05 0.00 0.00 64.05 60.15 1m9w n THR 74 Cb 0.53 1.28 -0.05 0.00 -1.55 0.00 0.00 70.33 70.54 1m9w n THR 74 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1m9w s GLU 75 N -0.13 3.15 0.03 1.09 1.03 -1.26 -4.34 118.70 118.27 1m9w s GLU 75 Ca 0.00 -0.83 -0.33 0.00 0.03 0.00 0.00 54.97 53.84 1m9w s GLU 75 Cb 0.00 -4.16 -0.12 0.00 -0.80 0.00 0.00 34.13 29.05 1m9w s GLU 75 CO 0.00 -1.52 1.80 -0.35 -1.33 0.00 0.00 175.26 173.86 1m9w n PRO 76 N 6.94 2.36 0.00 -4.83 -0.04 -1.26 -4.82 135.00 133.34 1m9w n PRO 76 Ca -0.05 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1m9w n PRO 76 Cb 0.45 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 1m9w n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1m9w n GLY 77 N 4.12 1.59 3.39 0.55 0.00 -0.36 -4.96 105.19 109.54 1m9w n GLY 77 Ca 0.20 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 1m9w n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1m9w s THR 78 N -2.00 3.49 -0.06 2.61 -1.32 -1.26 -1.26 115.64 115.83 1m9w s THR 78 Ca 0.00 -0.48 0.03 0.00 -1.21 0.00 0.00 61.69 60.02 1m9w s THR 78 Cb 0.00 -2.54 0.01 0.00 -1.51 0.00 0.00 72.50 68.47 1m9w s THR 78 CO 0.00 0.47 -0.12 -0.72 -2.21 0.00 0.00 174.62 172.04 1m9w s TYR 79 N 0.79 1.42 0.30 9.09 1.13 -0.55 -4.83 117.35 124.70 1m9w s TYR 79 Ca -0.02 -0.49 -0.16 0.00 -1.41 0.00 0.00 57.07 54.98 1m9w s TYR 79 Cb -0.15 -1.03 -0.09 0.00 -1.10 0.00 0.00 41.96 39.59 1m9w s TYR 79 CO 0.02 -0.24 0.74 0.99 -2.51 0.00 0.00 175.55 174.54 1m9w s THR 80 N 0.54 4.64 0.17 -3.49 2.01 -1.26 -1.48 115.64 116.77 1m9w s THR 80 Ca -0.12 1.05 -0.15 0.00 0.31 0.00 0.00 61.69 62.78 1m9w s THR 80 Cb -0.15 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.71 1m9w s THR 80 CO 0.03 -0.08 0.43 -0.72 -0.69 0.00 0.00 174.62 173.59 1m9w s TYR 81 N -1.86 -0.02 0.38 4.92 1.13 -0.73 -0.40 117.35 120.76 1m9w s TYR 81 Ca 0.51 -0.33 -0.15 0.00 -1.41 0.00 0.00 57.07 55.70 1m9w s TYR 81 Cb -0.12 0.25 0.05 0.00 -1.10 0.00 0.00 41.96 41.04 1m9w s TYR 81 CO 0.18 -0.81 0.76 1.52 -2.51 0.00 0.00 175.55 174.69 1m9w s TYR 82 N -3.88 0.18 -0.32 -3.49 -0.85 -0.55 -0.55 117.35 107.89 1m9w s TYR 82 Ca 0.09 -0.81 -0.03 0.00 -0.52 0.00 0.00 57.07 55.80 1m9w s TYR 82 Cb 0.01 0.76 0.05 0.00 0.38 0.00 0.00 41.96 43.16 1m9w s TYR 82 CO -0.05 -1.52 0.05 0.00 -1.52 0.00 0.00 175.55 172.51 1m9w n GLU 84 N 4.67 -0.35 0.02 0.00 -0.58 -1.26 -0.45 120.64 122.69 1m9w n GLU 84 Ca -0.12 1.31 0.05 0.00 -0.42 0.00 0.00 57.16 57.98 1m9w n GLU 84 Cb 0.43 -1.93 0.23 0.00 -0.57 0.00 0.00 31.44 29.60 1m9w n GLU 84 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1m9w n PRO 85 N -4.85 0.02 0.00 3.49 -0.04 -1.26 -3.35 135.00 129.01 1m9w n PRO 85 Ca 0.02 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1m9w n PRO 85 Cb 0.21 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1m9w n PRO 85 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1m9w n HIS 86 N -1.60 0.00 -0.27 0.54 8.25 -0.31 -4.83 115.22 117.00 1m9w n HIS 86 Ca 0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.56 1m9w n HIS 86 Cb 0.10 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.44 1m9w n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1m9w h ARG 87 N 0.00 0.28 0.00 -0.41 1.12 -0.76 0.24 114.38 114.85 1m9w h ARG 87 Ca 0.00 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 1m9w h ARG 87 Cb 0.16 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.06 1m9w h ARG 87 CO 0.00 0.19 0.00 0.41 -3.11 0.00 0.00 179.97 177.46 1m9w n GLY 88 N -1.36 -1.22 0.56 2.80 0.00 -1.26 -1.57 105.19 103.14 1m9w n GLY 88 Ca 0.17 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.39 1m9w n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9w n ALA 89 N -1.78 3.12 0.00 4.61 0.00 -0.05 -4.99 120.51 121.42 1m9w n ALA 89 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1m9w n ALA 89 Cb 0.20 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1m9w n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9w n GLY 90 N 1.27 0.92 2.54 0.00 0.00 -0.61 -4.99 105.19 104.31 1m9w n GLY 90 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1m9w n GLY 90 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1m9w n MET 91 N -1.15 3.41 -4.13 1.61 0.00 -0.49 -4.80 117.12 111.57 1m9w n MET 91 Ca 0.00 -2.56 -0.10 0.00 -0.00 0.00 0.00 57.70 55.04 1m9w n MET 91 Cb 0.00 -3.00 -0.10 0.00 0.00 0.00 0.00 33.22 30.12 1m9w n MET 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1m9w s VAL 92 N 2.22 0.54 0.00 1.12 0.11 -1.26 -0.19 120.40 122.95 1m9w s VAL 92 Ca 0.57 -1.76 0.00 0.00 -2.93 0.00 0.00 61.98 57.86 1m9w s VAL 92 Cb 0.16 -1.46 0.00 0.00 -1.53 0.00 0.00 36.38 33.55 1m9w s VAL 92 CO -0.07 -0.83 0.00 0.61 -3.33 0.00 0.00 175.10 171.48 1m9w n GLY 93 N 0.24 0.92 3.41 6.54 0.00 0.29 -4.88 105.19 111.71 1m9w n GLY 93 Ca -0.14 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.84 1m9w n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m9w s LYS 94 N -1.58 1.66 -0.13 1.61 2.47 -0.51 -1.78 119.74 121.48 1m9w s LYS 94 Ca 0.00 -1.95 -0.13 0.00 -1.56 0.00 0.00 55.97 52.33 1m9w s LYS 94 Cb 0.00 -0.47 0.03 0.00 -1.46 0.00 0.00 37.83 35.93 1m9w s LYS 94 CO 0.00 -0.35 0.36 0.08 0.16 0.00 0.00 175.35 175.59 1m9w s VAL 95 N -3.45 0.00 -0.08 4.02 1.01 -0.55 -3.77 120.40 117.59 1m9w s VAL 95 Ca 0.33 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1m9w s VAL 95 Cb 0.06 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1m9w s VAL 95 CO 0.15 -0.02 -0.14 -0.69 0.00 0.00 0.00 175.10 174.41 1m9w s VAL 96 N 0.07 1.28 0.00 2.92 1.01 -0.22 -1.48 120.40 123.99 1m9w s VAL 96 Ca -0.01 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1m9w s VAL 96 Cb -0.03 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1m9w s VAL 96 CO 0.01 0.39 -0.07 0.68 0.00 0.00 0.00 175.10 176.11 1m9w s VAL 97 N 0.69 0.56 0.00 2.92 -7.23 -0.39 -1.52 120.40 115.43 1m9w s VAL 97 Ca -0.14 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 1m9w s VAL 97 Cb -0.16 -0.50 0.00 0.00 0.56 0.00 0.00 36.38 36.28 1m9w s VAL 97 CO 0.04 0.07 0.00 -1.84 -0.31 0.00 0.00 175.10 173.05