#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 -3.86 -4.92 0.00 2.85 -1.26 -4.94 115.26 103.12 1m9w n ASN 2 Ca 0.00 -0.23 -0.26 0.00 -0.11 0.00 0.00 54.58 53.98 1m9w n ASN 2 Cb 0.00 -1.15 0.05 0.00 1.24 0.00 0.00 39.78 39.92 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 -1.34 3.25 -0.04 5.20 0.00 0.32 -4.96 121.76 124.18 1m9w s ALA 3 Ca 0.23 -0.78 -0.06 0.00 0.00 0.00 0.00 51.96 51.35 1m9w s ALA 3 Cb -0.02 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.50 1m9w s ALA 3 CO 0.64 -1.00 0.14 0.99 0.00 0.00 0.00 175.76 176.54 1m9w s THR 4 N -3.09 0.02 0.02 0.00 2.01 -1.26 -0.71 115.64 112.62 1m9w s THR 4 Ca 0.56 -0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.32 1m9w s THR 4 Cb -0.11 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.14 1m9w s THR 4 CO 0.45 -0.09 0.16 0.54 -0.69 0.00 0.00 174.62 174.99 1m9w s VAL 5 N -0.26 0.10 -0.16 3.82 0.11 -1.12 -4.52 120.40 118.37 1m9w s VAL 5 Ca -0.03 -0.79 -0.02 0.00 -2.93 0.00 0.00 61.98 58.21 1m9w s VAL 5 Cb -0.03 -0.63 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1m9w s VAL 5 CO 0.00 -0.44 -0.10 -0.54 -3.33 0.00 0.00 175.10 170.70 1m9w s LYS 6 N -1.86 3.41 -0.17 1.54 1.02 -0.08 -0.89 119.74 122.71 1m9w s LYS 6 Ca -0.11 -0.65 -0.19 0.00 0.02 0.00 0.00 55.97 55.04 1m9w s LYS 6 Cb -0.05 -2.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.45 1m9w s LYS 6 CO -0.00 0.09 0.55 -1.64 -0.92 0.00 0.00 175.35 173.42 1m9w s MET 7 N 0.70 4.25 0.00 1.68 -1.94 0.82 -0.68 119.30 124.13 1m9w s MET 7 Ca -0.05 0.51 0.00 0.00 -1.71 0.00 0.00 55.69 54.44 1m9w s MET 7 Cb -0.15 -3.53 0.00 0.00 2.01 0.00 0.00 34.83 33.16 1m9w s MET 7 CO 0.02 -0.08 0.00 0.41 -0.01 0.00 0.00 175.02 175.36 1m9w n GLY 8 N 3.65 -1.90 3.49 -0.03 0.00 -0.12 0.04 105.19 110.32 1m9w n GLY 8 Ca -0.04 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.92 0.21 1.61 2.88 -0.02 -2.79 113.62 114.59 1m9w n SER 9 Ca 0.00 0.58 0.14 0.00 -1.33 0.00 0.00 58.87 58.27 1m9w n SER 9 Cb 0.00 -1.25 0.75 0.00 -0.75 0.00 0.00 64.21 62.96 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 -0.45 0.00 0.25 -3.46 3.32 -1.92 0.14 116.42 114.30 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 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1m9w h ASP 10 CO 0.43 0.00 -0.04 -0.24 -1.72 0.00 0.00 179.24 177.66 1m9w n SER 11 N -2.48 0.35 0.00 6.45 2.88 -1.26 -4.91 113.62 114.65 1m9w n SER 11 Ca -0.02 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.81 1m9w n SER 11 Cb 0.05 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 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 1.19 0.72 3.75 0.46 0.00 0.49 -5.05 105.19 106.75 1m9w n GLY 12 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.56 3.34 -0.93 4.61 0.00 -1.25 -4.71 121.76 120.26 1m9w s ALA 13 Ca 0.00 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.43 1m9w s ALA 13 Cb 0.00 -3.25 -0.12 0.00 0.00 0.00 0.00 23.12 19.75 1m9w s ALA 13 CO 0.00 0.07 1.96 1.28 0.00 0.00 0.00 175.76 179.08 1m9w n LEU 14 N 1.71 4.38 -3.73 0.00 7.99 -1.26 -0.84 117.00 125.24 1m9w n LEU 14 Ca -0.01 -3.13 -0.10 0.00 -0.01 0.00 0.00 56.01 52.76 1m9w n LEU 14 Cb 0.47 -1.28 -0.06 0.00 -0.11 0.00 0.00 43.42 42.43 1m9w n LEU 14 CO 0.51 -0.32 0.05 0.54 -1.51 0.00 0.00 177.39 176.66 1m9w s VAL 15 N 5.46 0.10 -0.12 4.08 0.11 -1.26 -3.52 120.40 125.25 1m9w s VAL 15 Ca 0.57 -0.80 -0.05 0.00 -2.93 0.00 0.00 61.98 58.77 1m9w s VAL 15 Cb 0.12 -1.18 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1m9w s VAL 15 CO 0.09 -0.44 0.06 0.72 -3.33 0.00 0.00 175.10 172.19 1m9w s PHE 16 N -3.54 3.31 -0.28 1.54 -0.12 -1.26 -0.95 117.98 116.68 1m9w s PHE 16 Ca 0.02 0.25 0.03 0.00 -0.05 0.00 0.00 56.93 57.19 1m9w s PHE 16 Cb 0.02 -1.90 0.07 0.00 -0.63 0.00 0.00 43.02 40.58 1m9w s PHE 16 CO -0.10 0.47 -0.06 -1.83 -0.05 0.00 0.00 175.22 173.65 1m9w s GLU 17 N -0.61 2.00 0.24 1.99 -1.05 0.14 -0.90 118.70 120.51 1m9w s GLU 17 Ca 0.11 -1.50 -0.29 0.00 -0.15 0.00 0.00 54.97 53.15 1m9w s GLU 17 Cb -0.12 -2.97 -0.09 0.00 -0.44 0.00 0.00 34.13 30.51 1m9w s GLU 17 CO 0.02 -0.68 0.91 -1.25 0.95 0.00 0.00 175.26 175.22 1m9w s PRO 18 N 1.05 4.78 0.00 -4.83 0.04 -1.26 -0.91 135.00 133.87 1m9w s PRO 18 Ca -0.03 1.41 0.29 0.00 0.04 0.00 0.00 61.00 62.71 1m9w s PRO 18 Cb -0.20 -3.21 1.18 0.00 0.04 0.00 0.00 34.50 32.31 1m9w s PRO 18 CO -0.06 0.50 1.88 0.43 0.04 0.00 0.00 177.00 179.79 1m9w n SER 19 N 1.38 0.06 -3.71 6.66 7.64 -0.08 -4.71 113.62 120.86 1m9w n SER 19 Ca -0.02 0.37 -0.11 0.00 1.01 0.00 0.00 58.87 60.12 1m9w n SER 19 Cb 0.48 -0.40 -0.12 0.00 -1.01 0.00 0.00 64.21 63.16 1m9w n SER 19 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1m9w s THR 20 N -2.97 -0.05 0.18 0.44 2.01 -1.26 -2.66 115.64 111.33 1m9w s THR 20 Ca 0.15 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 1m9w s THR 20 Cb 0.19 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 1m9w s THR 20 CO 0.54 0.05 0.17 0.54 -0.69 0.00 0.00 174.62 175.23 1m9w s VAL 21 N 1.38 0.05 -0.10 3.82 0.11 -1.21 -5.02 120.40 119.43 1m9w s VAL 21 Ca -0.09 -1.79 -0.03 0.00 -2.93 0.00 0.00 61.98 57.14 1m9w s VAL 21 Cb -0.09 -2.19 0.04 0.00 -1.53 0.00 0.00 36.38 32.60 1m9w s VAL 21 CO -0.11 -0.21 0.06 0.28 -3.33 0.00 0.00 175.10 171.78 1m9w s THR 22 N -4.07 0.04 0.30 5.04 -1.32 -1.26 -1.30 115.64 113.07 1m9w s THR 22 Ca 0.28 0.11 0.03 0.00 -1.21 0.00 0.00 61.69 60.90 1m9w s THR 22 Cb 0.06 -0.43 -0.04 0.00 -1.51 0.00 0.00 72.50 70.58 1m9w s THR 22 CO 0.06 0.02 0.15 0.27 -2.21 0.00 0.00 174.62 172.91 1m9w s ILE 23 N 2.10 0.37 0.04 5.08 -4.36 -0.55 -1.83 121.20 122.04 1m9w s ILE 23 Ca 0.04 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.47 1m9w s ILE 23 Cb -0.14 -2.53 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 1m9w s ILE 23 CO -0.06 0.00 -0.12 -1.59 0.24 0.00 0.00 174.94 173.41 1m9w s LYS 24 N -3.85 0.80 0.00 0.37 0.00 -1.26 -0.54 119.74 115.26 1m9w s LYS 24 Ca 0.36 -0.74 0.00 0.00 0.00 0.00 0.00 55.97 55.58 1m9w s LYS 24 Cb 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 37.83 37.11 1m9w s LYS 24 CO 0.17 0.18 0.00 0.00 0.00 0.00 0.00 175.35 175.70 1m9w n ALA 25 N 1.81 0.00 0.00 0.59 0.00 -1.26 -1.14 120.51 120.51 1m9w n ALA 25 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1m9w n ALA 25 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 0.80 0.79 0.00 0.00 -0.09 -4.92 105.19 101.76 1m9w n GLY 26 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1m9w n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1m9w n GLU 27 N -0.93 -2.20 -4.17 1.61 1.02 -0.29 -4.68 120.64 111.01 1m9w n GLU 27 Ca 0.00 -0.38 -0.11 0.00 -0.02 0.00 0.00 57.16 56.66 1m9w n GLU 27 Cb 0.00 -0.42 -0.10 0.00 -0.02 0.00 0.00 31.44 30.90 1m9w n GLU 27 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1m9w s GLU 28 N -3.53 0.86 -0.28 3.49 -1.05 -1.26 -3.57 118.70 113.35 1m9w s GLU 28 Ca 0.16 -1.36 -0.03 0.00 -0.15 0.00 0.00 54.97 53.60 1m9w s GLU 28 Cb -0.02 -0.13 0.11 0.00 -0.44 0.00 0.00 34.13 33.65 1m9w s GLU 28 CO 0.13 -0.06 0.20 0.08 0.95 0.00 0.00 175.26 176.56 1m9w s VAL 29 N -3.69 -0.21 -0.95 1.83 1.01 0.65 -0.52 120.40 118.51 1m9w s VAL 29 Ca 0.14 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 1m9w s VAL 29 Cb 0.06 -0.96 0.24 0.00 0.00 0.00 0.00 36.38 35.72 1m9w s VAL 29 CO -0.04 -0.60 0.91 -1.59 0.00 0.00 0.00 175.10 173.79 1m9w s LYS 30 N 2.21 3.80 0.25 2.72 -2.85 0.11 -1.35 119.74 124.63 1m9w s LYS 30 Ca 0.09 -2.88 -0.26 0.00 -1.00 0.00 0.00 55.97 51.92 1m9w s LYS 30 Cb -0.15 -4.41 -0.09 0.00 -2.06 0.00 0.00 37.83 31.11 1m9w s LYS 30 CO -0.34 -1.26 0.88 1.67 0.10 0.00 0.00 175.35 176.40 1m9w s TRP 31 N -0.63 3.82 0.15 1.78 -2.14 -1.18 -2.78 118.94 117.95 1m9w s TRP 31 Ca 0.24 1.74 0.06 0.00 2.66 0.00 0.00 56.10 60.81 1m9w s TRP 31 Cb -0.10 -2.87 -0.04 0.00 -3.10 0.00 0.00 33.47 27.36 1m9w s TRP 31 CO -0.09 0.36 -0.14 0.08 -2.66 0.00 0.00 176.95 174.50 1m9w s VAL 32 N -1.39 1.47 0.28 -0.66 1.01 -0.07 -1.60 120.40 119.44 1m9w s VAL 32 Ca 0.44 -1.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.23 1m9w s VAL 32 Cb -0.21 -1.73 -0.09 0.00 0.00 0.00 0.00 36.38 34.34 1m9w s VAL 32 CO 0.26 -0.48 1.06 0.20 0.00 0.00 0.00 175.10 176.14 1m9w s ASN 33 N -2.76 7.33 0.00 3.32 -0.87 0.39 -0.12 114.94 122.23 1m9w s ASN 33 Ca 0.14 2.19 0.00 0.00 -1.57 0.00 0.00 52.86 53.61 1m9w s ASN 33 Cb -0.03 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.58 1m9w s ASN 33 CO 0.04 -0.09 0.00 -3.20 -2.57 0.00 0.00 177.10 171.28 1m9w n ASN 34 N 1.19 0.00 -3.50 -1.22 4.05 0.11 -2.64 115.26 113.25 1m9w n ASN 34 Ca -0.01 0.00 -0.13 0.00 0.45 0.00 0.00 54.58 54.89 1m9w n ASN 34 Cb 0.45 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.43 1m9w n ASN 34 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1m9w s LYS 35 N -1.00 1.17 -1.30 1.20 2.20 -0.67 -4.93 119.74 116.42 1m9w s LYS 35 Ca 0.00 -0.38 -0.09 0.00 -0.36 0.00 0.00 55.97 55.14 1m9w s LYS 35 Cb 0.00 0.53 0.01 0.00 -1.51 0.00 0.00 37.83 36.87 1m9w s LYS 35 CO 0.00 -0.47 0.17 -0.11 -0.36 0.00 0.00 175.35 174.58 1m9w n LEU 36 N -0.04 -0.64 -4.53 5.43 7.94 -1.26 -4.18 117.00 119.72 1m9w n LEU 36 Ca -0.17 -1.15 -0.36 0.00 -1.11 0.00 0.00 56.01 53.22 1m9w n LEU 36 Cb 0.63 -1.41 0.07 0.00 0.53 0.00 0.00 43.42 43.24 1m9w n LEU 36 CO 0.16 0.51 0.27 -1.20 -1.11 0.00 0.00 177.39 176.02 1m9w n SER 37 N -2.33 -0.43 -4.56 1.96 7.64 -1.26 -4.77 113.62 109.87 1m9w n SER 37 Ca -0.24 0.65 -0.29 0.00 1.01 0.00 0.00 58.87 60.00 1m9w n SER 37 Cb 0.59 -1.29 0.18 0.00 -1.01 0.00 0.00 64.21 62.67 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 -2.91 0.25 0.05 1.43 0.04 -1.26 -5.08 135.00 127.52 1m9w s PRO 38 Ca 0.69 0.35 -0.05 0.00 0.04 0.00 0.00 61.00 62.04 1m9w s PRO 38 Cb -0.36 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1m9w s PRO 38 CO 0.54 -2.82 0.08 -3.38 0.04 0.00 0.00 177.00 171.46 1m9w s HIS 39 N -3.05 0.29 0.05 0.56 -3.43 -0.84 -5.00 115.29 103.87 1m9w s HIS 39 Ca 0.66 -0.70 -0.07 0.00 -0.80 0.00 0.00 55.06 54.16 1m9w s HIS 39 Cb -0.16 -0.20 -0.01 0.00 -1.43 0.00 0.00 32.58 30.78 1m9w s HIS 39 CO 0.57 -0.41 0.12 1.21 -2.00 0.00 0.00 174.74 174.23 1m9w s ASN 40 N -2.52 0.17 -0.54 7.38 3.84 -1.26 -0.44 114.94 121.57 1m9w s ASN 40 Ca 0.01 -0.59 0.04 0.00 0.21 0.00 0.00 52.86 52.52 1m9w s ASN 40 Cb 0.03 0.27 0.14 0.00 -0.55 0.00 0.00 41.25 41.14 1m9w s ASN 40 CO -0.08 -0.59 0.32 -0.63 -2.79 0.00 0.00 177.10 173.33 1m9w s ILE 41 N -3.09 2.21 -0.20 -5.21 1.09 -1.26 -3.86 121.20 110.88 1m9w s ILE 41 Ca -0.01 -3.31 -0.01 0.00 -1.10 0.00 0.00 60.65 56.22 1m9w s ILE 41 Cb 0.02 -2.51 0.01 0.00 -1.06 0.00 0.00 42.46 38.92 1m9w s ILE 41 CO -0.07 -0.90 -0.13 0.68 -0.10 0.00 0.00 174.94 174.42 1m9w s VAL 42 N -0.38 2.54 0.19 2.92 -7.23 -0.30 0.14 120.40 118.28 1m9w s VAL 42 Ca 0.20 -0.85 -0.23 0.00 -1.81 0.00 0.00 61.98 59.29 1m9w s VAL 42 Cb -0.19 -2.14 -0.08 0.00 0.56 0.00 0.00 36.38 34.53 1m9w s VAL 42 CO -0.05 0.44 0.76 -0.36 -0.31 0.00 0.00 175.10 175.58 1m9w s PHE 43 N 1.34 3.79 0.62 2.82 0.40 -1.26 -1.28 117.98 124.42 1m9w s PHE 43 Ca 0.04 1.54 -0.14 0.00 -0.60 0.00 0.00 56.93 57.78 1m9w s PHE 43 Cb -0.14 -2.72 -0.03 0.00 0.51 0.00 0.00 43.02 40.65 1m9w s PHE 43 CO -0.09 0.43 1.05 0.00 0.70 0.00 0.00 175.22 177.31 1m9w s ALA 44 N -1.32 2.77 -1.29 5.36 0.00 0.40 -4.92 121.76 122.77 1m9w s ALA 44 Ca 0.39 0.24 -0.16 0.00 0.00 0.00 0.00 51.96 52.43 1m9w s ALA 44 Cb -0.20 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 1m9w s ALA 44 CO 0.24 -0.88 2.11 0.00 0.00 0.00 0.00 175.76 177.22 1m9w n ALA 45 N -2.39 4.75 0.43 0.00 0.00 -1.26 -4.71 120.51 117.33 1m9w n ALA 45 Ca 0.08 -3.73 0.13 0.00 0.00 0.00 0.00 53.44 49.92 1m9w n ALA 45 Cb 0.53 -3.57 0.49 0.00 0.00 0.00 0.00 19.45 16.90 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 6.68 0.00 0.00 0.00 3.32 -1.92 -3.49 116.42 121.02 1m9w h ASP 46 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1m9w h ASP 46 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1m9w h ASP 46 CO 1.84 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 179.97 1m9w n GLY 47 N 0.32 2.48 0.80 2.75 0.00 -1.26 -5.02 105.19 105.26 1m9w n GLY 47 Ca 0.03 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.00 -1.23 1.61 0.24 -1.26 -4.97 118.33 112.71 1m9w n VAL 48 Ca 0.00 -0.42 -0.31 0.00 -2.04 0.00 0.00 64.34 61.57 1m9w n VAL 48 Cb 0.00 1.19 0.10 0.00 -1.47 0.00 0.00 33.84 33.66 1m9w n VAL 48 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1m9w s ASP 49 N -2.02 4.36 -1.39 -1.34 -1.08 -1.26 -4.91 116.67 109.03 1m9w s ASP 49 Ca 0.30 1.89 -0.16 0.00 -0.52 0.00 0.00 52.55 54.07 1m9w s ASP 49 Cb 0.20 -2.53 0.04 0.00 -1.46 0.00 0.00 42.92 39.17 1m9w s ASP 49 CO 0.32 -2.13 2.07 0.00 0.52 0.00 0.00 175.17 175.95 1m9w n ALA 50 N -3.51 4.83 -0.25 3.66 0.00 -1.26 -4.76 120.51 119.22 1m9w n ALA 50 Ca 0.10 -3.84 0.13 0.00 0.00 0.00 0.00 53.44 49.82 1m9w n ALA 50 Cb 0.53 -3.56 0.41 0.00 0.00 0.00 0.00 19.45 16.83 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 6.58 0.58 0.08 0.00 2.03 -1.90 0.12 116.42 123.91 1m9w h ASP 51 Ca 0.52 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.86 1m9w h ASP 51 Cb 0.71 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1m9w h ASP 51 CO 1.75 0.29 0.00 1.07 -1.03 0.00 0.00 179.24 181.32 1m9w n THR 52 N -4.55 0.22 0.00 1.15 5.66 -1.26 -2.43 114.28 113.07 1m9w n THR 52 Ca 0.17 0.05 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 1m9w n THR 52 Cb 0.51 -0.84 0.00 0.00 -1.55 0.00 0.00 70.33 68.44 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 -1.09 0.52 -0.65 1.79 0.00 -0.06 -4.80 120.51 116.21 1m9w n ALA 53 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.61 1m9w n ALA 53 Cb 0.06 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.32 3.04 -2.79 0.00 0.00 0.23 -4.98 120.51 115.68 1m9w n ALA 54 Ca 0.00 -1.69 -0.10 0.00 0.00 0.00 0.00 53.44 51.66 1m9w n ALA 54 Cb 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.98 1.23 -1.23 0.00 -2.85 -1.02 -4.75 119.74 109.14 1m9w s LYS 55 Ca 0.47 -1.19 -0.16 0.00 -1.00 0.00 0.00 55.97 54.09 1m9w s LYS 55 Cb 0.31 0.39 0.13 0.00 -2.06 0.00 0.00 37.83 36.61 1m9w s LYS 55 CO 0.20 -0.46 1.54 -0.51 0.10 0.00 0.00 175.35 176.22 1m9w s LEU 56 N -2.98 4.56 0.00 2.77 1.43 0.12 -4.91 118.68 119.67 1m9w s LEU 56 Ca 0.19 -2.73 0.00 0.00 -1.03 0.00 0.00 54.13 50.56 1m9w s LEU 56 Cb 0.03 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1m9w s LEU 56 CO 0.02 -0.93 0.00 -1.20 0.23 0.00 0.00 176.35 174.47 1m9w n SER 57 N 6.78 0.00 0.00 2.29 7.64 -1.26 -1.86 113.62 127.21 1m9w n SER 57 Ca 0.41 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1m9w n SER 57 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1m9w n SER 57 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1m9w n HIS 58 N 0.00 0.00 -0.57 1.43 8.25 -1.26 -3.84 115.22 119.23 1m9w n HIS 58 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1m9w n HIS 58 Cb 0.00 -1.06 0.00 0.00 1.12 0.00 0.00 29.99 30.05 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 -0.35 0.24 -2.06 -0.41 3.00 -1.20 -4.93 118.16 112.44 1m9w n LYS 59 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 1m9w n LYS 59 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 35.03 35.06 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 2.87 0.18 3.14 0.00 -0.78 -5.01 107.32 107.72 1m9w s GLY 60 Ca 0.00 1.16 -0.11 0.00 0.00 0.00 0.00 44.72 45.77 1m9w s GLY 60 CO 0.00 1.69 0.34 0.48 0.00 0.00 0.00 173.10 175.61 1m9w s LEU 61 N -2.84 0.74 -0.33 0.66 2.34 -1.26 -4.62 118.68 113.37 1m9w s LEU 61 Ca 0.62 -0.80 0.04 0.00 0.06 0.00 0.00 54.13 54.05 1m9w s LEU 61 Cb -0.36 1.42 0.10 0.00 -0.56 0.00 0.00 46.19 46.79 1m9w s LEU 61 CO 0.44 -0.94 0.04 0.00 -1.06 0.00 0.00 176.35 174.83 1m9w s ALA 62 N -3.95 2.87 -0.24 1.48 0.00 0.42 -4.98 121.76 117.36 1m9w s ALA 62 Ca 0.16 -2.45 0.19 0.00 0.00 0.00 0.00 51.96 49.85 1m9w s ALA 62 Cb 0.02 -1.94 0.09 0.00 0.00 0.00 0.00 23.12 21.29 1m9w s ALA 62 CO 0.00 -1.64 1.30 0.27 0.00 0.00 0.00 175.76 175.70 1m9w h PHE 63 N 7.64 0.00 -3.59 0.00 -0.00 -1.95 -2.24 116.94 116.80 1m9w h PHE 63 Ca -0.06 0.00 -0.68 0.00 -0.00 0.00 0.00 57.97 57.23 1m9w h PHE 63 Cb 1.02 0.00 -0.18 0.00 -0.00 0.00 0.00 35.95 36.79 1m9w h PHE 63 CO 0.48 0.30 -0.68 0.00 -0.00 0.00 0.00 178.31 178.41 1m9w s ALA 64 N -3.08 3.05 0.06 12.09 0.00 -1.26 -4.46 121.76 128.15 1m9w s ALA 64 Ca 0.03 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 1m9w s ALA 64 Cb 0.07 -1.25 -0.09 0.00 0.00 0.00 0.00 23.12 21.85 1m9w s ALA 64 CO 0.75 0.59 1.94 0.00 0.00 0.00 0.00 175.76 179.03 1m9w n ALA 65 N 2.05 1.77 0.00 0.00 0.00 -1.26 -1.80 120.51 121.26 1m9w n ALA 65 Ca -0.17 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1m9w n ALA 65 Cb 0.53 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.32 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 4.47 1.33 3.65 0.00 0.00 -1.08 -5.00 105.19 108.57 1m9w n GLY 66 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.62 0.54 -0.04 1.61 2.02 -0.75 -4.65 118.70 116.81 1m9w s GLU 67 Ca 0.00 0.81 -0.30 0.00 0.02 0.00 0.00 54.97 55.50 1m9w s GLU 67 Cb 0.00 -1.73 0.11 0.00 0.10 0.00 0.00 34.13 32.61 1m9w s GLU 67 CO 0.00 -2.73 0.96 0.45 0.02 0.00 0.00 175.26 173.96 1m9w s SER 68 N -3.17 -0.31 0.01 -0.19 0.15 -1.26 -0.46 113.70 108.46 1m9w s SER 68 Ca 0.65 -0.01 -0.02 0.00 0.70 0.00 0.00 55.95 57.27 1m9w s SER 68 Cb -0.20 0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 64.44 1m9w s SER 68 CO 0.59 -0.55 0.03 0.72 1.20 0.00 0.00 173.24 175.23 1m9w s PHE 69 N -2.98 0.13 0.12 3.44 -0.71 -0.63 -5.00 117.98 112.35 1m9w s PHE 69 Ca 0.06 -0.27 0.08 0.00 -1.04 0.00 0.00 56.93 55.75 1m9w s PHE 69 Cb -0.01 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.65 1m9w s PHE 69 CO -0.08 -0.18 -0.10 -0.08 -1.34 0.00 0.00 175.22 173.44 1m9w s THR 70 N -1.10 3.32 -0.04 -4.49 -1.32 -1.26 -3.11 115.64 107.63 1m9w s THR 70 Ca -0.12 -1.37 0.02 0.00 -1.21 0.00 0.00 61.69 59.01 1m9w s THR 70 Cb -0.07 -2.57 0.01 0.00 -1.51 0.00 0.00 72.50 68.35 1m9w s THR 70 CO -0.00 0.05 -0.08 -0.94 -2.21 0.00 0.00 174.62 171.44 1m9w s SER 71 N -2.37 1.23 -0.01 8.08 1.04 -0.46 -4.99 113.70 116.22 1m9w s SER 71 Ca 0.22 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.47 1m9w s SER 71 Cb -0.10 -0.44 0.01 0.00 0.10 0.00 0.00 66.02 65.59 1m9w s SER 71 CO 0.14 0.03 -0.01 -0.89 0.98 0.00 0.00 173.24 173.49 1m9w s THR 72 N 0.45 0.17 0.24 2.02 2.01 -1.26 -0.25 115.64 119.02 1m9w s THR 72 Ca -0.07 -0.02 -0.17 0.00 0.31 0.00 0.00 61.69 61.74 1m9w s THR 72 Cb -0.11 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.21 1m9w s THR 72 CO 0.01 0.09 0.56 0.72 -0.69 0.00 0.00 174.62 175.31 1m9w s PHE 73 N 0.36 0.07 -0.38 4.92 -0.12 -1.23 -4.99 117.98 116.61 1m9w s PHE 73 Ca -0.03 -0.45 0.12 0.00 -0.05 0.00 0.00 56.93 56.51 1m9w s PHE 73 Cb -0.06 0.40 0.40 0.00 -0.63 0.00 0.00 43.02 43.13 1m9w s PHE 73 CO -0.01 -1.05 1.13 -2.37 -0.05 0.00 0.00 175.22 172.87 1m9w n THR 74 N -0.39 0.33 -3.96 -4.49 5.66 -1.26 -0.92 114.28 109.25 1m9w n THR 74 Ca -0.05 -2.33 -0.31 0.00 -3.05 0.00 0.00 64.05 58.31 1m9w n THR 74 Cb 0.61 0.83 -0.15 0.00 -1.55 0.00 0.00 70.33 70.07 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 -1.19 1.40 -0.38 1.09 -1.05 -1.26 -4.85 118.70 112.46 1m9w s GLU 75 Ca 0.25 -1.58 -0.37 0.00 -0.15 0.00 0.00 54.97 53.12 1m9w s GLU 75 Cb 0.40 -2.87 -0.13 0.00 -0.44 0.00 0.00 34.13 31.09 1m9w s GLU 75 CO -0.04 -0.88 2.17 -0.35 0.95 0.00 0.00 175.26 177.10 1m9w n PRO 76 N 4.43 0.84 0.00 -4.83 -0.04 -1.26 -4.59 135.00 129.55 1m9w n PRO 76 Ca -0.00 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1m9w n PRO 76 Cb 0.42 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 6.71 -0.44 3.38 0.55 0.00 -0.08 -5.02 105.19 110.30 1m9w n GLY 77 Ca 0.44 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.34 -0.01 -0.06 2.61 -1.32 -1.26 -0.77 115.64 114.49 1m9w s THR 78 Ca 0.00 0.04 0.03 0.00 -1.21 0.00 0.00 61.69 60.55 1m9w s THR 78 Cb 0.00 -0.71 0.01 0.00 -1.51 0.00 0.00 72.50 70.29 1m9w s THR 78 CO 0.00 0.02 -0.15 -0.72 -2.21 0.00 0.00 174.62 171.55 1m9w s TYR 79 N 0.98 1.67 0.51 9.09 1.13 -0.02 -4.96 117.35 125.74 1m9w s TYR 79 Ca -0.06 -0.58 -0.17 0.00 -1.41 0.00 0.00 57.07 54.84 1m9w s TYR 79 Cb -0.06 -1.17 -0.08 0.00 -1.10 0.00 0.00 41.96 39.55 1m9w s TYR 79 CO -0.09 -0.26 0.99 0.99 -2.51 0.00 0.00 175.55 174.67 1m9w s THR 80 N 0.42 4.42 0.20 -3.49 2.01 -1.26 -0.33 115.64 117.61 1m9w s THR 80 Ca -0.12 1.23 -0.20 0.00 0.31 0.00 0.00 61.69 62.92 1m9w s THR 80 Cb -0.15 -3.66 0.04 0.00 0.01 0.00 0.00 72.50 68.74 1m9w s THR 80 CO 0.04 -0.59 0.58 -0.72 -0.69 0.00 0.00 174.62 173.24 1m9w s TYR 81 N -2.51 -0.28 0.14 4.92 1.13 -0.75 -0.45 117.35 119.55 1m9w s TYR 81 Ca 0.60 -0.04 -0.25 0.00 -1.41 0.00 0.00 57.07 55.98 1m9w s TYR 81 Cb -0.10 0.50 0.06 0.00 -1.10 0.00 0.00 41.96 41.32 1m9w s TYR 81 CO 0.28 -0.94 0.83 1.52 -2.51 0.00 0.00 175.55 174.73 1m9w s TYR 82 N -3.84 -0.26 -0.44 -3.49 -0.85 -0.40 -0.88 117.35 107.19 1m9w s TYR 82 Ca 0.06 -0.02 -0.12 0.00 -0.52 0.00 0.00 57.07 56.47 1m9w s TYR 82 Cb -0.02 0.62 0.07 0.00 0.38 0.00 0.00 41.96 43.01 1m9w s TYR 82 CO -0.05 -0.85 0.32 0.00 -1.52 0.00 0.00 175.55 173.45 1m9w n GLU 84 N 5.06 -0.38 0.15 0.00 -0.58 -1.26 -1.02 120.64 122.61 1m9w n GLU 84 Ca -0.11 1.37 0.10 0.00 -0.42 0.00 0.00 57.16 58.10 1m9w n GLU 84 Cb 0.44 -2.02 0.54 0.00 -0.57 0.00 0.00 31.44 29.83 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 -4.97 0.13 -0.02 3.49 -0.04 -1.26 -1.75 135.00 130.58 1m9w n PRO 85 Ca 0.02 0.61 0.02 0.00 -0.04 0.00 0.00 63.50 64.11 1m9w n PRO 85 Cb 0.22 -1.92 0.03 0.00 -0.04 0.00 0.00 33.50 31.79 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 -2.20 0.00 -0.20 0.54 8.25 -0.19 -4.84 115.22 116.58 1m9w n HIS 86 Ca -0.01 -0.57 0.01 0.00 -0.26 0.00 0.00 57.72 56.89 1m9w n HIS 86 Cb 0.05 -0.07 0.11 0.00 1.12 0.00 0.00 29.99 31.20 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 0.20 0.00 -0.41 2.43 -0.28 -0.60 114.38 115.71 1m9w h ARG 87 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1m9w h ARG 87 Cb 0.65 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1m9w h ARG 87 CO 0.00 0.13 0.00 0.41 -1.51 0.00 0.00 179.97 179.00 1m9w n GLY 88 N -1.34 -1.34 0.50 2.80 0.00 -1.26 -3.03 105.19 101.52 1m9w n GLY 88 Ca 0.09 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.39 3.52 0.00 4.61 0.00 -0.32 -4.99 120.51 121.94 1m9w n ALA 89 Ca 0.10 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1m9w n ALA 89 Cb 0.27 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 1.42 0.92 2.58 0.00 0.00 -0.90 -4.97 105.19 104.23 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 -1.55 3.27 -4.06 1.61 0.00 -0.67 -4.83 117.12 110.89 1m9w n MET 91 Ca 0.00 -2.54 -0.13 0.00 -0.00 0.00 0.00 57.70 55.03 1m9w n MET 91 Cb 0.00 -3.07 -0.12 0.00 0.00 0.00 0.00 33.22 30.04 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 2.51 0.50 0.28 1.12 0.11 -1.26 -0.17 120.40 123.49 1m9w s VAL 92 Ca 0.55 -1.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.51 1m9w s VAL 92 Cb 0.15 -0.56 0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1m9w s VAL 92 CO -0.07 -0.35 0.55 0.61 -3.33 0.00 0.00 175.10 172.51 1m9w n GLY 93 N 1.59 1.37 2.91 6.54 0.00 -0.06 -4.96 105.19 112.58 1m9w n GLY 93 Ca -0.22 -1.22 -0.15 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.11 0.09 0.19 1.61 2.47 -1.09 -1.80 119.74 119.09 1m9w s LYS 94 Ca 0.12 0.61 -0.11 0.00 -1.56 0.00 0.00 55.97 55.04 1m9w s LYS 94 Cb -0.03 -0.17 -0.07 0.00 -1.46 0.00 0.00 37.83 36.09 1m9w s LYS 94 CO 0.09 -0.28 0.53 0.08 0.16 0.00 0.00 175.35 175.92 1m9w s VAL 95 N 2.21 4.94 -0.09 4.02 1.01 0.55 -3.36 120.40 129.68 1m9w s VAL 95 Ca 0.01 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.55 1m9w s VAL 95 Cb -0.12 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1m9w s VAL 95 CO -0.07 0.05 -0.15 -0.69 0.00 0.00 0.00 175.10 174.24 1m9w s VAL 96 N -1.68 1.43 -0.01 2.92 1.01 -0.42 -0.84 120.40 122.82 1m9w s VAL 96 Ca 0.43 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.84 1m9w s VAL 96 Cb -0.12 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1m9w s VAL 96 CO 0.21 0.42 -0.18 0.68 0.00 0.00 0.00 175.10 176.22 1m9w s VAL 97 N 0.75 1.45 0.00 2.92 -7.23 0.05 -1.49 120.40 116.86 1m9w s VAL 97 Ca -0.12 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1m9w s VAL 97 Cb -0.16 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 35.57 1m9w s VAL 97 CO 0.02 0.41 0.00 -1.84 -0.31 0.00 0.00 175.10 173.38