#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 0.00 -4.86 0.00 2.85 -1.26 -4.93 115.26 107.07 1m9w n ASN 2 Ca 0.00 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.26 1m9w n ASN 2 Cb 0.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 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 0.00 3.93 0.05 5.20 0.00 0.55 -4.98 121.76 126.51 1m9w s ALA 3 Ca 0.00 -1.77 -0.09 0.00 0.00 0.00 0.00 51.96 50.10 1m9w s ALA 3 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1m9w s ALA 3 CO 0.00 -0.10 0.18 0.99 0.00 0.00 0.00 175.76 176.83 1m9w s THR 4 N -2.39 0.12 0.03 0.00 2.01 -1.26 -0.89 115.64 113.25 1m9w s THR 4 Ca 0.44 -0.97 -0.18 0.00 0.31 0.00 0.00 61.69 61.29 1m9w s THR 4 Cb -0.04 -0.99 0.03 0.00 0.01 0.00 0.00 72.50 71.51 1m9w s THR 4 CO 0.27 -0.54 0.40 0.54 -0.69 0.00 0.00 174.62 174.61 1m9w s VAL 5 N -2.81 0.05 -0.21 3.82 0.11 -1.26 -4.53 120.40 115.58 1m9w s VAL 5 Ca -0.03 -0.45 -0.03 0.00 -2.93 0.00 0.00 61.98 58.54 1m9w s VAL 5 Cb 0.00 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 1m9w s VAL 5 CO -0.05 -0.25 -0.06 -0.54 -3.33 0.00 0.00 175.10 170.87 1m9w s LYS 6 N -2.21 3.34 -0.23 1.54 1.02 0.02 -0.95 119.74 122.27 1m9w s LYS 6 Ca -0.07 -0.65 -0.29 0.00 0.02 0.00 0.00 55.97 54.99 1m9w s LYS 6 Cb -0.01 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1m9w s LYS 6 CO -0.01 -0.18 1.03 -1.64 -0.92 0.00 0.00 175.35 173.63 1m9w s MET 7 N 1.41 4.25 0.00 1.68 -1.94 0.98 -0.34 119.30 125.35 1m9w s MET 7 Ca 0.05 1.33 0.00 0.00 -1.71 0.00 0.00 55.69 55.37 1m9w s MET 7 Cb -0.14 -3.64 0.00 0.00 2.01 0.00 0.00 34.83 33.06 1m9w s MET 7 CO -0.04 -0.63 0.00 0.41 -0.01 0.00 0.00 175.02 174.75 1m9w n GLY 8 N 3.35 -1.49 3.68 -0.03 0.00 -0.56 -0.31 105.19 109.83 1m9w n GLY 8 Ca 0.12 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 1m9w n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1m9w n SER 9 N 0.00 0.91 0.27 1.61 2.88 -0.12 -3.21 113.62 115.96 1m9w n SER 9 Ca 0.00 0.58 0.16 0.00 -1.33 0.00 0.00 58.87 58.28 1m9w n SER 9 Cb 0.00 -1.50 0.85 0.00 -0.75 0.00 0.00 64.21 62.81 1m9w n SER 9 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1m9w h ASP 10 N -0.90 0.00 0.28 -3.46 3.32 -1.92 0.36 116.42 114.10 1m9w h ASP 10 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1m9w h ASP 10 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1m9w h ASP 10 CO 0.46 0.00 -0.09 -0.24 -1.72 0.00 0.00 179.24 177.64 1m9w n SER 11 N -2.68 0.56 0.00 6.45 2.88 -1.26 -4.91 113.62 114.66 1m9w n SER 11 Ca -0.02 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.79 1m9w n SER 11 Cb 0.16 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1m9w n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1m9w n GLY 12 N 1.24 0.59 3.76 0.46 0.00 0.12 -5.05 105.19 106.31 1m9w n GLY 12 Ca 0.16 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 3.44 -0.63 4.61 0.00 -1.25 -4.77 121.76 121.16 1m9w s ALA 13 Ca 0.00 0.20 -0.15 0.00 0.00 0.00 0.00 51.96 52.01 1m9w s ALA 13 Cb 0.00 -2.87 -0.13 0.00 0.00 0.00 0.00 23.12 20.12 1m9w s ALA 13 CO 0.00 0.18 1.83 1.28 0.00 0.00 0.00 175.76 179.05 1m9w n LEU 14 N 2.42 3.51 -3.84 0.00 7.99 -1.26 -0.95 117.00 124.88 1m9w n LEU 14 Ca -0.05 -2.49 -0.12 0.00 -0.01 0.00 0.00 56.01 53.34 1m9w n LEU 14 Cb 0.50 -0.96 -0.10 0.00 -0.11 0.00 0.00 43.42 42.75 1m9w n LEU 14 CO 0.45 -0.32 -0.13 0.54 -1.51 0.00 0.00 177.39 176.42 1m9w s VAL 15 N 4.68 0.07 -0.05 4.08 0.11 -1.26 -3.36 120.40 124.67 1m9w s VAL 15 Ca 0.45 -0.55 -0.16 0.00 -2.93 0.00 0.00 61.98 58.79 1m9w s VAL 15 Cb 0.11 -0.45 -0.05 0.00 -1.53 0.00 0.00 36.38 34.46 1m9w s VAL 15 CO 0.08 -0.30 0.43 0.72 -3.33 0.00 0.00 175.10 172.69 1m9w s PHE 16 N -1.16 3.64 -0.27 1.54 -0.12 -1.26 -1.49 117.98 118.86 1m9w s PHE 16 Ca -0.12 0.94 0.01 0.00 -0.05 0.00 0.00 56.93 57.70 1m9w s PHE 16 Cb -0.06 -2.38 0.05 0.00 -0.63 0.00 0.00 43.02 39.99 1m9w s PHE 16 CO 0.02 0.46 -0.08 -1.83 -0.05 0.00 0.00 175.22 173.74 1m9w s GLU 17 N -0.41 2.40 0.31 1.99 -1.05 0.54 -0.55 118.70 121.93 1m9w s GLU 17 Ca 0.24 -1.26 -0.27 0.00 -0.15 0.00 0.00 54.97 53.53 1m9w s GLU 17 Cb -0.16 -2.97 -0.09 0.00 -0.44 0.00 0.00 34.13 30.46 1m9w s GLU 17 CO 0.12 -0.55 0.99 -1.25 0.95 0.00 0.00 175.26 175.51 1m9w s PRO 18 N 1.18 4.59 0.00 -4.83 0.04 -1.26 -0.80 135.00 133.91 1m9w s PRO 18 Ca -0.06 1.48 0.28 0.00 0.04 0.00 0.00 61.00 62.73 1m9w s PRO 18 Cb -0.19 -2.93 1.02 0.00 0.04 0.00 0.00 34.50 32.44 1m9w s PRO 18 CO -0.04 0.25 1.73 -1.13 0.04 0.00 0.00 177.00 177.85 1m9w n SER 19 N 0.77 0.87 -3.69 6.66 3.41 0.29 -4.73 113.62 117.20 1m9w n SER 19 Ca 0.01 -0.89 -0.10 0.00 -0.26 0.00 0.00 58.87 57.63 1m9w n SER 19 Cb 0.48 0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 1m9w n SER 19 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1m9w s THR 20 N -2.39 -0.07 0.16 6.66 2.01 -1.26 -2.81 115.64 117.95 1m9w s THR 20 Ca 0.29 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 62.29 1m9w s THR 20 Cb 0.20 -0.63 -0.00 0.00 0.01 0.00 0.00 72.50 72.07 1m9w s THR 20 CO 0.47 0.04 0.30 0.54 -0.69 0.00 0.00 174.62 175.28 1m9w s VAL 21 N 1.50 0.07 -0.15 3.82 0.11 -1.20 -5.02 120.40 119.53 1m9w s VAL 21 Ca -0.09 -1.31 -0.03 0.00 -2.93 0.00 0.00 61.98 57.62 1m9w s VAL 21 Cb -0.08 -1.78 0.05 0.00 -1.53 0.00 0.00 36.38 33.03 1m9w s VAL 21 CO -0.13 -0.30 0.04 0.28 -3.33 0.00 0.00 175.10 171.65 1m9w s THR 22 N -3.95 0.35 0.42 5.04 -1.32 -1.26 -1.32 115.64 113.60 1m9w s THR 22 Ca 0.16 -0.26 0.03 0.00 -1.21 0.00 0.00 61.69 60.40 1m9w s THR 22 Cb 0.03 -0.78 -0.03 0.00 -1.51 0.00 0.00 72.50 70.21 1m9w s THR 22 CO -0.01 -0.08 0.07 0.27 -2.21 0.00 0.00 174.62 172.66 1m9w s ILE 23 N 1.95 0.97 0.00 5.08 -4.36 -0.65 -4.24 121.20 119.96 1m9w s ILE 23 Ca 0.01 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.46 1m9w s ILE 23 Cb -0.15 -2.43 -0.02 0.00 1.25 0.00 0.00 42.46 41.11 1m9w s ILE 23 CO -0.07 0.00 -0.19 -1.59 0.24 0.00 0.00 174.94 173.33 1m9w s LYS 24 N -3.79 1.44 0.00 0.37 0.00 -1.26 -0.55 119.74 115.95 1m9w s LYS 24 Ca 0.22 -0.72 0.00 0.00 0.00 0.00 0.00 55.97 55.47 1m9w s LYS 24 Cb 0.04 -1.43 0.00 0.00 0.00 0.00 0.00 37.83 36.44 1m9w s LYS 24 CO 0.12 0.38 0.00 0.00 0.00 0.00 0.00 175.35 175.85 1m9w n ALA 25 N 2.42 0.00 0.00 0.59 0.00 -0.08 -1.60 120.51 121.84 1m9w n ALA 25 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1m9w n ALA 25 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1m9w n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m9w n GLY 26 N 0.00 1.42 3.84 0.00 0.00 -0.15 -4.85 105.19 105.45 1m9w n GLY 26 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1m9w n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m9w s GLU 27 N -0.43 1.01 0.43 1.61 2.02 -0.63 -4.64 118.70 118.07 1m9w s GLU 27 Ca 0.00 -0.00 0.03 0.00 0.02 0.00 0.00 54.97 55.02 1m9w s GLU 27 Cb 0.00 -1.85 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 1m9w s GLU 27 CO 0.00 -2.23 0.06 -1.83 0.02 0.00 0.00 175.26 171.28 1m9w s GLU 28 N -5.56 1.99 -0.20 1.61 1.03 -1.26 -2.12 118.70 114.19 1m9w s GLU 28 Ca 0.67 -2.21 -0.04 0.00 0.03 0.00 0.00 54.97 53.41 1m9w s GLU 28 Cb -0.10 -1.11 0.08 0.00 -0.80 0.00 0.00 34.13 32.19 1m9w s GLU 28 CO 0.52 -0.34 0.14 0.08 -1.33 0.00 0.00 175.26 174.33 1m9w s VAL 29 N -3.04 -0.17 -0.79 1.83 1.01 1.00 -0.33 120.40 119.91 1m9w s VAL 29 Ca 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 1m9w s VAL 29 Cb 0.04 -0.66 0.36 0.00 0.00 0.00 0.00 36.38 36.12 1m9w s VAL 29 CO 0.11 -0.31 1.76 2.29 0.00 0.00 0.00 175.10 178.95 1m9w n LYS 30 N 5.29 3.42 -1.55 2.72 2.85 -0.07 -0.83 118.16 129.99 1m9w n LYS 30 Ca -0.06 -4.00 -0.43 0.00 -1.05 0.00 0.00 58.31 52.77 1m9w n LYS 30 Cb 0.48 -2.30 -0.00 0.00 -0.65 0.00 0.00 35.03 32.56 1m9w n LYS 30 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 1m9w n TRP 31 N -0.42 0.69 -4.28 5.58 2.14 -1.21 -4.43 117.44 115.51 1m9w n TRP 31 Ca 0.49 0.64 -0.21 0.00 2.07 0.00 0.00 57.50 60.48 1m9w n TRP 31 Cb 0.32 -2.16 -0.12 0.00 -0.81 0.00 0.00 31.31 28.55 1m9w n TRP 31 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1m9w s VAL 32 N -1.24 1.61 -0.17 -1.67 1.01 -0.13 -1.78 120.40 118.02 1m9w s VAL 32 Ca 0.62 -1.69 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 1m9w s VAL 32 Cb -0.63 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 1m9w s VAL 32 CO 0.58 -0.24 1.02 0.21 0.00 0.00 0.00 175.10 176.67 1m9w s ASN 33 N -2.27 7.16 0.00 3.32 3.84 0.37 -0.01 114.94 127.35 1m9w s ASN 33 Ca 0.09 1.44 0.00 0.00 0.21 0.00 0.00 52.86 54.60 1m9w s ASN 33 Cb -0.07 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.08 1m9w s ASN 33 CO 0.05 -0.56 0.00 -3.20 -2.79 0.00 0.00 177.10 170.59 1m9w n ASN 34 N 5.71 0.92 -3.61 -4.21 5.15 0.58 -0.69 115.26 119.12 1m9w n ASN 34 Ca 0.10 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.96 1m9w n ASN 34 Cb 0.47 0.09 -0.05 0.00 -0.53 0.00 0.00 39.78 39.77 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 -1.18 1.04 -1.37 1.20 2.20 -0.43 -4.94 119.74 116.26 1m9w s LYS 35 Ca 0.00 -0.49 -0.04 0.00 -0.36 0.00 0.00 55.97 55.07 1m9w s LYS 35 Cb 0.00 0.46 0.01 0.00 -1.51 0.00 0.00 37.83 36.79 1m9w s LYS 35 CO 0.00 -0.39 0.08 -0.11 -0.36 0.00 0.00 175.35 174.57 1m9w n LEU 36 N 0.09 -0.77 -4.44 5.43 7.94 -1.26 -4.15 117.00 119.85 1m9w n LEU 36 Ca -0.17 -1.17 -0.38 0.00 -1.11 0.00 0.00 56.01 53.18 1m9w n LEU 36 Cb 0.62 -1.45 0.05 0.00 0.53 0.00 0.00 43.42 43.17 1m9w n LEU 36 CO 0.18 0.47 -0.02 -1.20 -1.11 0.00 0.00 177.39 175.71 1m9w n SER 37 N -2.50 -1.40 -4.08 1.96 7.64 -1.26 -4.78 113.62 109.20 1m9w n SER 37 Ca -0.27 0.67 -0.30 0.00 1.01 0.00 0.00 58.87 59.98 1m9w n SER 37 Cb 0.62 -1.15 0.21 0.00 -1.01 0.00 0.00 64.21 62.87 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 -2.21 -0.27 0.06 1.43 0.04 -1.26 -5.07 135.00 127.72 1m9w s PRO 38 Ca 0.66 -0.10 -0.10 0.00 0.04 0.00 0.00 61.00 61.50 1m9w s PRO 38 Cb -0.41 -1.71 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1m9w s PRO 38 CO 0.57 -3.07 0.22 -3.38 0.04 0.00 0.00 177.00 171.37 1m9w s HIS 39 N -3.31 0.06 0.12 0.56 -3.43 0.36 -4.99 115.29 104.65 1m9w s HIS 39 Ca 0.71 -0.35 -0.09 0.00 -0.80 0.00 0.00 55.06 54.53 1m9w s HIS 39 Cb -0.09 -0.01 -0.00 0.00 -1.43 0.00 0.00 32.58 31.05 1m9w s HIS 39 CO 0.55 -0.50 0.23 1.21 -2.00 0.00 0.00 174.74 174.23 1m9w s ASN 40 N -2.41 0.09 -0.30 7.38 3.84 -1.26 -0.40 114.94 121.87 1m9w s ASN 40 Ca -0.01 -0.72 -0.03 0.00 0.21 0.00 0.00 52.86 52.31 1m9w s ASN 40 Cb 0.01 0.37 0.11 0.00 -0.55 0.00 0.00 41.25 41.19 1m9w s ASN 40 CO -0.07 -0.79 0.14 -0.63 -2.79 0.00 0.00 177.10 172.96 1m9w s ILE 41 N -3.90 0.18 -0.16 -5.21 -1.09 -1.26 -4.00 121.20 105.77 1m9w s ILE 41 Ca 0.09 -1.04 0.02 0.00 -2.23 0.00 0.00 60.65 57.49 1m9w s ILE 41 Cb 0.04 -1.16 0.02 0.00 -1.58 0.00 0.00 42.46 39.78 1m9w s ILE 41 CO -0.07 -0.75 -0.20 0.68 -1.23 0.00 0.00 174.94 173.36 1m9w s VAL 42 N 1.84 2.00 0.62 2.92 -7.23 0.20 0.43 120.40 121.19 1m9w s VAL 42 Ca 0.10 -0.92 -0.09 0.00 -1.81 0.00 0.00 61.98 59.26 1m9w s VAL 42 Cb -0.17 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 1m9w s VAL 42 CO -0.29 0.53 0.99 -0.36 -0.31 0.00 0.00 175.10 175.66 1m9w s PHE 43 N 1.11 3.48 -0.69 2.82 0.40 -1.26 -1.29 117.98 122.55 1m9w s PHE 43 Ca -0.00 1.05 0.24 0.00 -0.60 0.00 0.00 56.93 57.62 1m9w s PHE 43 Cb -0.14 -2.76 0.28 0.00 0.51 0.00 0.00 43.02 40.91 1m9w s PHE 43 CO -0.08 -0.79 1.25 0.00 0.70 0.00 0.00 175.22 176.30 1m9w n ALA 44 N -2.73 3.15 -2.88 5.36 0.00 0.46 -4.90 120.51 118.97 1m9w n ALA 44 Ca 0.05 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 1m9w n ALA 44 Cb 0.56 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.78 -0.47 -0.03 0.00 0.00 -1.26 -4.96 120.51 112.00 1m9w n ALA 45 Ca 0.03 0.15 0.22 0.00 0.00 0.00 0.00 53.44 53.84 1m9w n ALA 45 Cb 0.42 -2.32 0.49 0.00 0.00 0.00 0.00 19.45 18.04 1m9w n ALA 45 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1m9w h ASP 46 N -0.97 0.00 0.00 0.00 5.19 -1.90 -3.43 116.42 115.31 1m9w h ASP 46 Ca -0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 1m9w h ASP 46 Cb 1.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1m9w h ASP 46 CO 0.21 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.94 1m9w n GLY 47 N -1.60 1.62 0.00 2.75 0.00 -1.26 -5.06 105.19 101.65 1m9w n GLY 47 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1m9w n GLY 47 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1m9w n VAL 48 N 0.00 0.00 -2.08 1.61 3.14 -1.26 -5.07 118.33 114.67 1m9w n VAL 48 Ca 0.00 -0.33 -0.34 0.00 -2.96 0.00 0.00 64.34 60.71 1m9w n VAL 48 Cb 0.00 1.01 0.02 0.00 -1.06 0.00 0.00 33.84 33.80 1m9w n VAL 48 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1m9w s ASP 49 N -0.65 5.53 -1.31 6.55 2.15 -1.26 -4.92 116.67 122.77 1m9w s ASP 49 Ca 0.00 2.08 -0.17 0.00 0.43 0.00 0.00 52.55 54.88 1m9w s ASP 49 Cb 0.00 -2.57 0.03 0.00 -0.30 0.00 0.00 42.92 40.09 1m9w s ASP 49 CO 0.00 -1.34 1.92 0.00 -0.17 0.00 0.00 175.17 175.57 1m9w n ALA 50 N -1.74 3.98 -0.05 3.66 0.00 -1.26 -4.75 120.51 120.35 1m9w n ALA 50 Ca 0.11 -3.75 0.23 0.00 0.00 0.00 0.00 53.44 50.03 1m9w n ALA 50 Cb 0.52 -3.58 0.71 0.00 0.00 0.00 0.00 19.45 17.10 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 7.32 0.00 0.00 0.00 2.03 -1.95 -0.41 116.42 123.40 1m9w h ASP 51 Ca 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 1m9w h ASP 51 Cb 0.79 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 1m9w h ASP 51 CO 1.60 0.00 0.00 1.07 -1.03 0.00 0.00 179.24 180.88 1m9w n THR 52 N -4.22 0.00 -0.47 1.15 5.66 -1.26 -0.76 114.28 114.38 1m9w n THR 52 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1m9w n THR 52 Cb 0.75 -0.84 0.00 0.00 -1.55 0.00 0.00 70.33 68.69 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 -0.93 1.40 -0.66 1.79 0.00 -0.17 -4.77 120.51 117.18 1m9w n ALA 53 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1m9w n ALA 53 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.11 1.35 -2.26 0.00 0.00 0.06 -4.60 120.51 114.95 1m9w n ALA 54 Ca 0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 53.44 52.62 1m9w n ALA 54 Cb 0.22 -0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.35 1.14 -0.00 0.00 -2.85 -0.58 -4.59 119.74 112.51 1m9w s LYS 55 Ca 0.00 -1.53 -0.03 0.00 -1.00 0.00 0.00 55.97 53.41 1m9w s LYS 55 Cb 0.00 -0.48 -0.02 0.00 -2.06 0.00 0.00 37.83 35.27 1m9w s LYS 55 CO 0.00 -0.04 0.65 -0.07 0.10 0.00 0.00 175.35 175.99 1m9w h LEU 56 N 2.68 -0.09 0.00 2.77 3.38 -0.36 -3.47 115.31 120.21 1m9w h LEU 56 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1m9w h LEU 56 Cb 1.20 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1m9w h LEU 56 CO 0.64 -0.04 0.00 -0.24 0.09 0.00 0.00 178.44 178.89 1m9w n SER 57 N -2.44 0.00 -0.25 -0.43 2.88 -1.26 -4.66 113.62 107.46 1m9w n SER 57 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1m9w n SER 57 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 -1.46 0.00 -0.05 0.66 -0.00 -1.26 -1.56 115.22 111.55 1m9w n HIS 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1m9w n HIS 58 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 29.97 1m9w n HIS 58 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1m9w n LYS 59 N -0.12 3.61 -1.32 -0.41 3.00 -1.26 -5.04 118.16 116.62 1m9w n LYS 59 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 1m9w n LYS 59 Cb 0.06 -0.30 0.11 0.00 0.00 0.00 0.00 35.03 34.90 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 2.30 -0.10 3.14 0.00 -0.60 -5.04 107.32 107.01 1m9w s GLY 60 Ca 0.00 0.88 -0.14 0.00 0.00 0.00 0.00 44.72 45.46 1m9w s GLY 60 CO 0.00 1.30 0.37 -2.27 0.00 0.00 0.00 173.10 172.50 1m9w s LEU 61 N -5.35 0.58 -0.32 0.66 2.96 -1.26 -4.74 118.68 111.22 1m9w s LEU 61 Ca 0.74 0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 55.20 1m9w s LEU 61 Cb -0.29 1.35 0.06 0.00 0.50 0.00 0.00 46.19 47.80 1m9w s LEU 61 CO 0.47 -0.24 0.03 0.00 -1.32 0.00 0.00 176.35 175.29 1m9w s ALA 62 N -0.30 2.87 -0.05 5.97 0.00 0.46 -4.96 121.76 125.76 1m9w s ALA 62 Ca -0.04 -1.85 0.07 0.00 0.00 0.00 0.00 51.96 50.13 1m9w s ALA 62 Cb -0.03 -2.02 -0.10 0.00 0.00 0.00 0.00 23.12 20.97 1m9w s ALA 62 CO 0.02 -1.34 0.08 1.97 0.00 0.00 0.00 175.76 176.49 1m9w n PHE 63 N 4.63 0.00 -4.40 0.00 -1.74 -1.26 -0.48 117.46 114.20 1m9w n PHE 63 Ca -0.12 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.43 1m9w n PHE 63 Cb 0.43 -0.29 -0.11 0.00 1.52 0.00 0.00 39.48 41.04 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 -2.31 3.13 -0.24 1.98 0.00 -1.26 -4.63 121.76 118.43 1m9w s ALA 64 Ca -0.03 -0.82 -0.34 0.00 0.00 0.00 0.00 51.96 50.77 1m9w s ALA 64 Cb 0.03 -1.50 -0.11 0.00 0.00 0.00 0.00 23.12 21.55 1m9w s ALA 64 CO 0.31 0.41 2.07 0.00 0.00 0.00 0.00 175.76 178.54 1m9w n ALA 65 N 2.81 1.06 0.00 0.00 0.00 -1.26 -1.15 120.51 121.96 1m9w n ALA 65 Ca -0.18 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1m9w n ALA 65 Cb 0.53 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 5.55 1.16 3.63 0.00 0.00 0.14 -5.01 105.19 110.67 1m9w n GLY 66 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.43 0.60 0.16 1.61 2.02 -0.30 -4.63 118.70 117.73 1m9w s GLU 67 Ca 0.00 1.27 -0.23 0.00 0.02 0.00 0.00 54.97 56.02 1m9w s GLU 67 Cb 0.00 -1.70 0.06 0.00 0.10 0.00 0.00 34.13 32.59 1m9w s GLU 67 CO 0.00 -2.82 0.68 0.45 0.02 0.00 0.00 175.26 173.59 1m9w s SER 68 N -2.75 -0.46 -0.00 -0.19 0.15 -1.26 -0.48 113.70 108.70 1m9w s SER 68 Ca 0.66 -0.15 -0.03 0.00 0.70 0.00 0.00 55.95 57.14 1m9w s SER 68 Cb -0.22 0.59 -0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1m9w s SER 68 CO 0.60 -1.00 0.06 0.72 1.20 0.00 0.00 173.24 174.82 1m9w s PHE 69 N -3.68 0.06 0.12 3.44 -0.71 -0.73 -5.01 117.98 111.47 1m9w s PHE 69 Ca 0.04 -0.13 0.10 0.00 -1.04 0.00 0.00 56.93 55.90 1m9w s PHE 69 Cb -0.02 -0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 1m9w s PHE 69 CO -0.08 -0.17 -0.24 -0.08 -1.34 0.00 0.00 175.22 173.32 1m9w s THR 70 N -0.88 2.43 0.01 -4.49 -1.32 -1.26 -3.35 115.64 106.78 1m9w s THR 70 Ca -0.10 -1.66 0.03 0.00 -1.21 0.00 0.00 61.69 58.75 1m9w s THR 70 Cb -0.06 -2.08 -0.01 0.00 -1.51 0.00 0.00 72.50 68.84 1m9w s THR 70 CO 0.00 0.11 -0.08 -0.94 -2.21 0.00 0.00 174.62 171.50 1m9w s SER 71 N -2.04 0.95 -0.03 8.08 1.04 -0.01 -4.78 113.70 116.91 1m9w s SER 71 Ca 0.15 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 1m9w s SER 71 Cb -0.10 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 65.97 1m9w s SER 71 CO 0.07 0.04 0.04 -0.89 0.98 0.00 0.00 173.24 173.49 1m9w s THR 72 N -0.41 -0.06 -0.01 2.02 2.01 -1.26 -0.00 115.64 117.92 1m9w s THR 72 Ca 0.01 0.32 -0.05 0.00 0.31 0.00 0.00 61.69 62.28 1m9w s THR 72 Cb -0.04 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.33 1m9w s THR 72 CO -0.00 0.14 0.11 0.72 -0.69 0.00 0.00 174.62 174.91 1m9w s PHE 73 N 1.67 0.00 -0.03 4.92 -0.12 -0.90 -4.77 117.98 118.75 1m9w s PHE 73 Ca -0.01 -0.00 0.04 0.00 -0.05 0.00 0.00 56.93 56.90 1m9w s PHE 73 Cb -0.12 -0.03 0.06 0.00 -0.63 0.00 0.00 43.02 42.30 1m9w s PHE 73 CO -0.03 -0.20 0.90 -2.37 -0.05 0.00 0.00 175.22 173.47 1m9w n THR 74 N 2.04 0.61 -3.20 -4.49 5.66 -1.26 -0.98 114.28 112.66 1m9w n THR 74 Ca -0.19 -0.69 -0.43 0.00 -3.05 0.00 0.00 64.05 59.68 1m9w n THR 74 Cb 0.57 0.48 -0.07 0.00 -1.55 0.00 0.00 70.33 69.75 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 -0.83 3.17 -0.18 1.09 -1.05 -1.26 -4.59 118.70 115.06 1m9w s GLU 75 Ca 0.07 -0.64 -0.36 0.00 -0.15 0.00 0.00 54.97 53.88 1m9w s GLU 75 Cb 0.06 -3.99 -0.13 0.00 -0.44 0.00 0.00 34.13 29.63 1m9w s GLU 75 CO 0.01 -1.00 1.86 -0.35 0.95 0.00 0.00 175.26 176.73 1m9w n PRO 76 N 5.98 1.76 -1.52 -4.83 -0.04 -1.26 -4.69 135.00 130.41 1m9w n PRO 76 Ca -0.05 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1m9w n PRO 76 Cb 0.47 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 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 4.50 -0.42 3.44 0.55 0.00 -1.26 -5.04 105.19 106.96 1m9w n GLY 77 Ca 0.25 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.48 3.38 -0.04 2.61 -1.32 -1.26 -1.45 115.64 116.07 1m9w s THR 78 Ca 0.00 -0.55 0.06 0.00 -1.21 0.00 0.00 61.69 59.99 1m9w s THR 78 Cb 0.00 -2.43 -0.01 0.00 -1.51 0.00 0.00 72.50 68.55 1m9w s THR 78 CO 0.00 0.53 -0.23 -0.72 -2.21 0.00 0.00 174.62 171.99 1m9w s TYR 79 N 0.18 2.16 0.32 9.09 1.13 0.39 -4.92 117.35 125.70 1m9w s TYR 79 Ca -0.05 -0.55 -0.18 0.00 -1.41 0.00 0.00 57.07 54.88 1m9w s TYR 79 Cb -0.15 -1.41 -0.09 0.00 -1.10 0.00 0.00 41.96 39.21 1m9w s TYR 79 CO 0.04 -0.13 0.79 0.99 -2.51 0.00 0.00 175.55 174.73 1m9w s THR 80 N -0.29 4.56 0.24 -3.49 2.01 -1.26 -0.18 115.64 117.24 1m9w s THR 80 Ca 0.02 1.19 -0.17 0.00 0.31 0.00 0.00 61.69 63.04 1m9w s THR 80 Cb -0.11 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1m9w s THR 80 CO 0.02 -0.10 0.57 -0.72 -0.69 0.00 0.00 174.62 173.70 1m9w s TYR 81 N -1.89 0.05 0.16 4.92 1.13 -0.86 -0.40 117.35 120.45 1m9w s TYR 81 Ca 0.53 -0.44 -0.24 0.00 -1.41 0.00 0.00 57.07 55.50 1m9w s TYR 81 Cb -0.12 0.41 0.07 0.00 -1.10 0.00 0.00 41.96 41.23 1m9w s TYR 81 CO 0.18 -1.05 1.00 1.52 -2.51 0.00 0.00 175.55 174.69 1m9w s TYR 82 N -3.95 -0.06 -0.31 -3.49 1.13 -0.41 -0.97 117.35 109.30 1m9w s TYR 82 Ca 0.15 -0.27 -0.09 0.00 -1.41 0.00 0.00 57.07 55.46 1m9w s TYR 82 Cb -0.03 0.66 0.00 0.00 -1.10 0.00 0.00 41.96 41.49 1m9w s TYR 82 CO 0.05 -0.83 0.13 0.00 -2.51 0.00 0.00 175.55 172.39 1m9w h GLU 84 N 8.31 -0.08 0.00 0.00 4.39 -1.88 0.15 114.58 125.47 1m9w h GLU 84 Ca -0.31 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1m9w h GLU 84 Cb 1.13 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1m9w h GLU 84 CO 0.62 -0.05 0.00 -0.35 -1.16 0.00 0.00 179.01 178.06 1m9w n PRO 85 N -4.94 0.52 0.00 2.33 -0.04 -1.26 -3.23 135.00 128.39 1m9w n PRO 85 Ca 0.01 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1m9w n PRO 85 Cb 0.24 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.04 0.00 -0.40 0.54 8.25 -0.42 -4.89 115.22 117.25 1m9w n HIS 86 Ca 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.49 1m9w n HIS 86 Cb 0.07 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.10 1m9w n HIS 86 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1m9w n ARG 87 N -0.19 -0.41 0.09 -0.41 0.63 0.38 -0.80 116.66 115.95 1m9w n ARG 87 Ca 0.00 1.46 0.09 0.00 -0.92 0.00 0.00 57.85 58.49 1m9w n ARG 87 Cb 0.08 -2.15 0.42 0.00 0.45 0.00 0.00 32.46 31.25 1m9w n ARG 87 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1m9w n GLY 88 N -1.26 -1.02 0.37 5.14 0.00 -1.26 -1.68 105.19 105.47 1m9w n GLY 88 Ca 0.03 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.68 3.83 0.00 4.61 0.00 0.02 -4.99 120.51 122.28 1m9w n ALA 89 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1m9w n ALA 89 Cb 0.14 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 1.44 0.98 2.44 0.00 0.00 -0.67 -4.97 105.19 104.40 1m9w n GLY 90 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.26 3.60 -4.15 1.61 0.00 -0.83 -4.82 117.12 111.27 1m9w n MET 91 Ca 0.00 -2.45 -0.17 0.00 -0.00 0.00 0.00 57.70 55.08 1m9w n MET 91 Cb 0.00 -2.90 -0.12 0.00 0.00 0.00 0.00 33.22 30.20 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 2.03 0.90 0.33 1.12 0.11 -1.26 -0.09 120.40 123.53 1m9w s VAL 92 Ca 0.62 -1.17 -0.13 0.00 -2.93 0.00 0.00 61.98 58.38 1m9w s VAL 92 Cb 0.17 -0.89 0.05 0.00 -1.53 0.00 0.00 36.38 34.18 1m9w s VAL 92 CO -0.07 -0.24 0.68 0.61 -3.33 0.00 0.00 175.10 172.75 1m9w n GLY 93 N 1.45 1.11 2.93 6.54 0.00 -0.14 -4.96 105.19 112.13 1m9w n GLY 93 Ca -0.21 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.07 0.10 0.21 1.61 2.20 -1.12 -2.04 119.74 118.62 1m9w s LYS 94 Ca 0.14 0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 56.27 1m9w s LYS 94 Cb -0.04 -0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 36.06 1m9w s LYS 94 CO 0.10 -0.24 0.42 0.08 -0.36 0.00 0.00 175.35 175.34 1m9w s VAL 95 N 1.86 5.17 -0.04 4.02 1.01 0.74 -3.23 120.40 129.93 1m9w s VAL 95 Ca -0.03 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1m9w s VAL 95 Cb -0.12 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1m9w s VAL 95 CO -0.07 -0.16 -0.11 -0.69 0.00 0.00 0.00 175.10 174.07 1m9w s VAL 96 N -1.87 0.96 -0.52 2.92 1.01 -0.43 -0.46 120.40 122.01 1m9w s VAL 96 Ca 0.40 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 62.01 1m9w s VAL 96 Cb -0.11 -0.86 0.30 0.00 0.00 0.00 0.00 36.38 35.71 1m9w s VAL 96 CO 0.28 0.30 0.76 1.33 0.00 0.00 0.00 175.10 177.77 1m9w n VAL 97 N 3.37 1.48 -1.15 2.92 0.24 -0.53 -1.63 118.33 123.03 1m9w n VAL 97 Ca -0.19 -4.97 0.00 0.00 -2.04 0.00 0.00 64.34 57.14 1m9w n VAL 97 Cb 0.53 -1.50 0.00 0.00 -1.47 0.00 0.00 33.84 31.40 1m9w n VAL 97 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85