#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3m s GLU 2 N 0.00 3.07 0.40 0.00 0.41 -1.26 -5.09 118.70 116.23 2a3m s GLU 2 Ca 0.00 -0.43 -0.26 0.00 -0.41 0.00 0.00 54.97 53.88 2a3m s GLU 2 Cb 0.00 -2.87 -0.09 0.00 -1.78 0.00 0.00 34.13 29.39 2a3m s GLU 2 CO 0.00 0.68 1.27 0.00 -0.49 0.00 0.00 175.26 176.71 2a3m s ALA 3 N -1.08 3.23 0.90 5.21 0.00 -1.26 -5.02 121.76 123.73 2a3m s ALA 3 Ca 0.19 1.16 -0.13 0.00 0.00 0.00 0.00 51.96 53.18 2a3m s ALA 3 Cb -0.12 -3.46 0.13 0.00 0.00 0.00 0.00 23.12 19.68 2a3m s ALA 3 CO 0.09 -0.75 1.16 -1.25 0.00 0.00 0.00 175.76 175.01 2a3m s PRO 4 N -2.25 1.21 0.81 0.00 0.04 -1.26 -5.03 135.00 128.52 2a3m s PRO 4 Ca 0.57 0.20 -0.12 0.00 0.04 0.00 0.00 61.00 61.69 2a3m s PRO 4 Cb -0.36 -1.85 0.09 0.00 0.04 0.00 0.00 34.50 32.41 2a3m s PRO 4 CO 0.46 -2.13 1.15 0.00 0.04 0.00 0.00 177.00 176.52 2a3m s ALA 5 N -3.37 1.90 0.90 8.56 0.00 -1.26 -4.59 121.76 123.90 2a3m s ALA 5 Ca 0.64 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 2a3m s ALA 5 Cb -0.13 -3.41 0.13 0.00 0.00 0.00 0.00 23.12 19.71 2a3m s ALA 5 CO 0.52 -2.18 1.12 -0.51 0.00 0.00 0.00 175.76 174.71 2a3m s ASP 6 N -2.64 3.22 0.00 0.00 1.11 -1.26 -4.34 116.67 112.75 2a3m s ASP 6 Ca 0.68 1.97 0.00 0.00 0.18 0.00 0.00 52.55 55.38 2a3m s ASP 6 Cb -0.23 -2.50 0.00 0.00 1.07 0.00 0.00 42.92 41.26 2a3m s ASP 6 CO 0.53 -2.88 0.00 0.61 1.18 0.00 0.00 175.17 174.61 2a3m n GLY 7 N -0.24 0.86 3.72 0.21 0.00 -1.22 -5.02 105.19 103.50 2a3m n GLY 7 Ca 0.10 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2a3m n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a3m s LEU 8 N 0.00 4.39 -0.35 0.99 0.20 -0.92 -4.80 118.68 118.19 2a3m s LEU 8 Ca 0.00 2.26 -0.17 0.00 0.69 0.00 0.00 54.13 56.91 2a3m s LEU 8 Cb 0.00 -3.59 -0.01 0.00 -0.43 0.00 0.00 46.19 42.16 2a3m s LEU 8 CO 0.00 -0.54 0.45 -0.54 -0.29 0.00 0.00 176.35 175.43 2a3m s LYS 9 N 0.62 3.57 -0.52 1.98 3.01 -1.26 -0.27 119.74 126.88 2a3m s LYS 9 Ca 0.60 -0.29 -0.25 0.00 -1.01 0.00 0.00 55.97 55.02 2a3m s LYS 9 Cb -0.35 -3.81 0.04 0.00 -1.01 0.00 0.00 37.83 32.70 2a3m s LYS 9 CO 0.33 -0.60 0.93 -1.64 0.51 0.00 0.00 175.35 174.87 2a3m s MET 10 N 2.23 3.40 -0.32 1.68 -1.94 0.14 -4.94 119.30 119.56 2a3m s MET 10 Ca 0.16 -0.11 0.18 0.00 -1.71 0.00 0.00 55.69 54.21 2a3m s MET 10 Cb -0.16 -4.00 0.47 0.00 2.01 0.00 0.00 34.83 33.14 2a3m s MET 10 CO 0.13 -1.38 0.98 -0.85 -0.01 0.00 0.00 175.02 173.89 2a3m n GLU 11 N 7.33 1.34 0.07 2.03 -0.00 -1.26 -1.49 120.64 128.65 2a3m n GLU 11 Ca 0.03 -3.35 0.13 0.00 -0.00 0.00 0.00 57.16 53.98 2a3m n GLU 11 Cb 0.48 -1.34 0.42 0.00 -0.00 0.00 0.00 31.44 31.00 2a3m n GLU 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2a3m n ASN 12 N -0.16 0.62 -4.15 -1.84 3.02 -1.26 -4.94 115.26 106.55 2a3m n ASN 12 Ca 0.10 0.49 -0.26 0.00 -0.03 0.00 0.00 54.58 54.89 2a3m n ASN 12 Cb 0.81 -0.61 -0.08 0.00 -0.61 0.00 0.00 39.78 39.29 2a3m n ASN 12 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2a3m s THR 13 N -3.08 0.64 -2.05 3.41 -4.23 -1.26 -5.03 115.64 104.03 2a3m s THR 13 Ca 0.11 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.80 2a3m s THR 13 Cb 0.14 -2.36 0.50 0.00 1.34 0.00 0.00 72.50 72.12 2a3m s THR 13 CO 0.60 0.00 1.66 0.29 -0.54 0.00 0.00 174.62 176.63 2a3m n LYS 14 N -0.92 1.13 -3.14 3.99 4.01 -1.26 -3.97 118.16 118.00 2a3m n LYS 14 Ca -0.06 -0.19 -0.26 0.00 -0.51 0.00 0.00 58.31 57.29 2a3m n LYS 14 Cb 0.65 -1.30 -0.05 0.00 -0.51 0.00 0.00 35.03 33.82 2a3m n LYS 14 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2a3m n MET 15 N -0.59 2.59 -1.82 1.97 2.81 -1.26 -5.11 117.12 115.71 2a3m n MET 15 Ca 0.14 -4.52 -0.34 0.00 -1.81 0.00 0.00 57.70 51.16 2a3m n MET 15 Cb 0.11 -2.11 0.05 0.00 -0.71 0.00 0.00 33.22 30.55 2a3m n MET 15 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2a3m s PRO 16 N -2.89 2.80 -0.00 0.03 0.04 -1.26 -5.01 135.00 128.71 2a3m s PRO 16 Ca 0.44 1.55 0.03 0.00 0.04 0.00 0.00 61.00 63.07 2a3m s PRO 16 Cb 0.24 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.83 2a3m s PRO 16 CO -0.09 -1.28 -0.11 0.08 0.04 0.00 0.00 177.00 175.64 2a3m s VAL 17 N -2.07 0.86 -0.27 -0.36 1.01 -0.56 -4.91 120.40 114.10 2a3m s VAL 17 Ca 0.71 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.99 2a3m s VAL 17 Cb -0.24 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2a3m s VAL 17 CO 0.38 0.21 0.58 -0.63 0.00 0.00 0.00 175.10 175.65 2a3m s ILE 18 N -0.31 5.01 -0.21 2.22 1.01 -1.26 -0.69 121.20 126.97 2a3m s ILE 18 Ca 0.04 0.95 -0.07 0.00 0.00 0.00 0.00 60.65 61.58 2a3m s ILE 18 Cb -0.04 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 2a3m s ILE 18 CO -0.00 0.00 0.05 0.12 0.00 0.00 0.00 174.94 175.11 2a3m s PHE 19 N 2.45 3.11 -0.32 3.97 5.36 0.63 -4.92 117.98 128.27 2a3m s PHE 19 Ca 0.24 -0.28 -0.06 0.00 -0.96 0.00 0.00 56.93 55.87 2a3m s PHE 19 Cb -0.15 -2.14 0.03 0.00 -0.34 0.00 0.00 43.02 40.42 2a3m s PHE 19 CO 0.10 -0.17 0.07 -0.80 -1.46 0.00 0.00 175.22 172.96 2a3m s ASN 20 N 1.05 5.14 0.52 6.13 0.01 -1.26 -2.16 114.94 124.36 2a3m s ASN 20 Ca 0.03 -1.04 0.18 0.00 -0.71 0.00 0.00 52.86 51.32 2a3m s ASN 20 Cb -0.14 -1.83 1.31 0.00 0.41 0.00 0.00 41.25 41.00 2a3m s ASN 20 CO 0.03 -0.27 2.14 0.45 -1.51 0.00 0.00 177.10 177.93 2a3m h HIS 21 N 8.18 0.00 0.00 2.20 3.86 -1.83 -2.47 115.15 125.09 2a3m h HIS 21 Ca -0.25 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.94 2a3m h HIS 21 Cb 1.09 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.56 2a3m h HIS 21 CO 0.60 0.03 -0.06 0.66 0.86 0.00 0.00 177.93 180.02 2a3m h SER 22 N 0.00 0.00 0.21 2.45 4.64 -1.94 -0.59 113.55 118.32 2a3m h SER 22 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a3m h SER 22 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2a3m h SER 22 CO 0.00 0.06 -0.06 -1.54 -0.87 0.00 0.00 176.83 174.43 2a3m n SER 23 N -3.72 0.53 -0.17 4.97 3.41 -0.93 -3.82 113.62 113.89 2a3m n SER 23 Ca -0.02 -0.84 0.04 0.00 -0.26 0.00 0.00 58.87 57.78 2a3m n SER 23 Cb 0.16 -0.05 0.05 0.00 -0.26 0.00 0.00 64.21 64.11 2a3m n SER 23 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2a3m n HIS 24 N -0.76 0.00 0.31 7.33 8.25 -0.27 -4.87 115.22 125.21 2a3m n HIS 24 Ca 0.18 -0.47 0.21 0.00 -0.26 0.00 0.00 57.72 57.37 2a3m n HIS 24 Cb 0.25 -0.08 0.99 0.00 1.12 0.00 0.00 29.99 32.27 2a3m n HIS 24 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2a3m h SER 25 N 0.00 0.00 0.17 0.41 0.02 -1.55 -2.27 113.55 110.34 2a3m h SER 25 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a3m h SER 25 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2a3m h SER 25 CO 0.00 0.00 -0.10 -1.20 -1.14 0.00 0.00 176.83 174.39 2a3m n SER 26 N -3.09 0.88 -4.90 3.07 7.64 -1.26 -4.83 113.62 111.13 2a3m n SER 26 Ca -0.01 -0.99 -0.33 0.00 1.01 0.00 0.00 58.87 58.55 2a3m n SER 26 Cb 0.17 0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.34 2a3m n SER 26 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2a3m s TYR 27 N -2.28 3.54 0.47 1.43 1.51 -0.86 -5.08 117.35 116.07 2a3m s TYR 27 Ca 0.33 0.49 -0.23 0.00 -1.01 0.00 0.00 57.07 56.64 2a3m s TYR 27 Cb 0.20 -1.94 -0.07 0.00 -0.11 0.00 0.00 41.96 40.04 2a3m s TYR 27 CO 0.43 0.56 1.24 -0.65 -1.11 0.00 0.00 175.55 176.02 2a3m s GLN 28 N -2.17 3.67 0.25 -0.62 -1.52 -1.26 -4.92 119.66 113.09 2a3m s GLN 28 Ca 0.33 1.97 -0.03 0.00 -1.95 0.00 0.00 55.36 55.68 2a3m s GLN 28 Cb -0.13 -2.46 0.47 0.00 -0.22 0.00 0.00 33.01 30.67 2a3m s GLN 28 CO 0.21 -0.68 1.78 0.00 -0.25 0.00 0.00 175.29 176.35 2a3m n ALA 30 N -2.40 1.65 0.28 0.00 0.00 -1.26 -0.89 120.51 117.89 2a3m n ALA 30 Ca 0.15 -0.05 0.16 0.00 0.00 0.00 0.00 53.44 53.70 2a3m n ALA 30 Cb 0.36 -1.21 0.83 0.00 0.00 0.00 0.00 19.45 19.42 2a3m n ALA 30 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2a3m h ASP 31 N 0.00 0.00 0.00 0.00 3.45 -1.52 -3.26 116.42 115.09 2a3m h ASP 31 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2a3m h ASP 31 Cb 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 2a3m h ASP 31 CO 0.00 0.07 -0.70 0.00 -1.57 0.00 0.00 179.24 177.04 2a3m n HIS 33 N -3.13 3.43 -1.93 0.00 8.25 -0.07 -4.98 115.22 116.81 2a3m n HIS 33 Ca 0.00 -2.96 -0.39 0.00 -0.26 0.00 0.00 57.72 54.11 2a3m n HIS 33 Cb 0.35 -2.49 0.02 0.00 1.12 0.00 0.00 29.99 28.99 2a3m n HIS 33 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2a3m s HIS 34 N 2.86 2.52 0.80 4.41 -3.43 -1.23 -4.15 115.29 117.06 2a3m s HIS 34 Ca 0.47 1.39 -0.13 0.00 -0.80 0.00 0.00 55.06 56.00 2a3m s HIS 34 Cb 0.14 -3.72 0.08 0.00 -1.43 0.00 0.00 32.58 27.65 2a3m s HIS 34 CO -0.08 -2.49 1.17 -1.25 -2.00 0.00 0.00 174.74 170.08 2a3m s PRO 35 N -2.68 1.80 -0.06 -0.38 0.04 -1.26 -4.39 135.00 128.07 2a3m s PRO 35 Ca 0.66 1.59 0.01 0.00 0.04 0.00 0.00 61.00 63.30 2a3m s PRO 35 Cb -0.38 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.37 2a3m s PRO 35 CO 0.47 -2.06 -0.06 0.08 0.04 0.00 0.00 177.00 175.47 2a3m s VAL 36 N -2.35 0.68 -1.42 -0.36 1.01 -0.49 -4.82 120.40 112.65 2a3m s VAL 36 Ca 0.70 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 2a3m s VAL 36 Cb -0.25 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.45 2a3m s VAL 36 CO 0.51 0.27 0.37 0.47 0.00 0.00 0.00 175.10 176.72 2a3m n ASP 37 N 4.25 -5.01 -0.14 3.32 8.00 -1.26 -1.33 116.55 124.37 2a3m n ASP 37 Ca -0.21 -0.19 -0.02 0.00 0.71 0.00 0.00 54.79 55.09 2a3m n ASP 37 Cb 0.51 -4.12 -0.01 0.00 -0.02 0.00 0.00 41.12 37.48 2a3m n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a3m n GLY 38 N -1.22 0.54 3.31 0.44 0.00 -1.26 -5.03 105.19 101.97 2a3m n GLY 38 Ca -0.11 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 2a3m n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3m s LYS 39 N -1.30 1.18 0.35 1.61 1.02 -0.44 -5.11 119.74 117.05 2a3m s LYS 39 Ca 0.00 -1.21 -0.27 0.00 0.02 0.00 0.00 55.97 54.50 2a3m s LYS 39 Cb 0.00 -1.48 -0.12 0.00 -0.52 0.00 0.00 37.83 35.71 2a3m s LYS 39 CO 0.00 0.34 1.19 0.39 -0.92 0.00 0.00 175.35 176.35 2a3m n GLU 40 N 0.99 1.83 -3.62 1.68 -0.58 -1.26 -1.40 120.64 118.29 2a3m n GLU 40 Ca -0.19 0.64 -0.29 0.00 -0.42 0.00 0.00 57.16 56.90 2a3m n GLU 40 Cb 0.54 -2.19 -0.15 0.00 -0.57 0.00 0.00 31.44 29.07 2a3m n GLU 40 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2a3m s ASN 41 N -0.45 3.69 -0.13 1.62 2.47 -1.26 -4.76 114.94 116.11 2a3m s ASN 41 Ca 0.58 -1.55 0.15 0.00 0.42 0.00 0.00 52.86 52.46 2a3m s ASN 41 Cb -0.59 -0.58 0.53 0.00 -1.45 0.00 0.00 41.25 39.17 2a3m s ASN 41 CO 0.60 -0.41 1.45 0.18 -3.72 0.00 0.00 177.10 175.20 2a3m n LEU 42 N 4.93 3.98 -4.79 3.21 4.77 -1.26 -4.48 117.00 123.36 2a3m n LEU 42 Ca -0.02 -2.70 -0.33 0.00 -0.03 0.00 0.00 56.01 52.93 2a3m n LEU 42 Cb 0.41 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 2a3m n LEU 42 CO 0.08 0.70 0.73 0.00 -1.33 0.00 0.00 177.39 177.58 2a3m s ALA 43 N -2.27 2.63 0.29 -1.18 0.00 -1.26 -4.96 121.76 115.01 2a3m s ALA 43 Ca 0.40 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 2a3m s ALA 43 Cb 0.30 -3.28 -0.12 0.00 0.00 0.00 0.00 23.12 20.02 2a3m s ALA 43 CO 0.13 -0.98 1.53 1.63 0.00 0.00 0.00 175.76 178.07 2a3m n LYS 44 N -2.07 2.54 -0.19 0.00 4.76 -1.26 -4.89 118.16 117.04 2a3m n LYS 44 Ca 0.10 0.90 0.01 0.00 -2.87 0.00 0.00 58.31 56.45 2a3m n LYS 44 Cb 0.52 -2.64 0.27 0.00 -1.84 0.00 0.00 35.03 31.34 2a3m n LYS 44 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2a3m n ALA 46 N -2.43 2.80 -1.61 0.00 0.00 -1.26 -1.28 120.51 116.74 2a3m n ALA 46 Ca 0.08 -0.73 -0.46 0.00 0.00 0.00 0.00 53.44 52.33 2a3m n ALA 46 Cb 0.04 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 2a3m n ALA 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2a3m n THR 47 N 0.38 1.46 -1.59 0.00 -1.04 -0.71 -4.42 114.28 108.35 2a3m n THR 47 Ca 0.12 -0.36 -0.56 0.00 -2.04 0.00 0.00 64.05 61.21 2a3m n THR 47 Cb 0.49 -1.06 -0.07 0.00 -1.82 0.00 0.00 70.33 67.87 2a3m n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a3m n ALA 48 N 0.93 -1.56 0.00 2.41 0.00 -1.26 -0.43 120.51 120.59 2a3m n ALA 48 Ca 0.11 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2a3m n ALA 48 Cb 0.30 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.74 2a3m n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a3m n GLY 49 N 2.59 2.92 0.00 0.00 0.00 -1.26 -4.98 105.19 104.46 2a3m n GLY 49 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2a3m n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3m n HIS 51 N 0.00 2.64 0.15 0.00 8.25 -0.40 -4.41 115.22 121.45 2a3m n HIS 51 Ca 0.00 -2.71 0.08 0.00 -0.26 0.00 0.00 57.72 54.83 2a3m n HIS 51 Cb 0.00 -1.64 0.15 0.00 1.12 0.00 0.00 29.99 29.62 2a3m n HIS 51 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2a3m n ASP 52 N 2.11 2.91 -4.61 0.41 3.85 -0.70 -3.94 116.55 116.59 2a3m n ASP 52 Ca 0.44 -1.86 -0.38 0.00 -0.71 0.00 0.00 54.79 52.27 2a3m n ASP 52 Cb 0.31 -0.19 -0.10 0.00 -1.35 0.00 0.00 41.12 39.79 2a3m n ASP 52 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2a3m s VAL 53 N -1.15 5.24 -2.05 2.12 1.01 -0.52 -4.94 120.40 120.11 2a3m s VAL 53 Ca 0.27 0.41 0.23 0.00 0.00 0.00 0.00 61.98 62.89 2a3m s VAL 53 Cb 0.16 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 2a3m s VAL 53 CO 0.22 0.21 1.10 0.49 0.00 0.00 0.00 175.10 177.11 2a3m n PHE 54 N 5.13 0.00 -1.72 5.22 3.72 -1.26 -1.16 117.46 127.38 2a3m n PHE 54 Ca -0.11 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.87 2a3m n PHE 54 Cb 0.51 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 2a3m n PHE 54 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2a3m s ASP 55 N -2.47 6.28 0.54 4.37 -1.08 -1.26 -4.85 116.67 118.19 2a3m s ASP 55 Ca 0.19 2.42 0.23 0.00 -0.52 0.00 0.00 52.55 54.86 2a3m s ASP 55 Cb 0.18 -2.53 1.47 0.00 -1.46 0.00 0.00 42.92 40.59 2a3m s ASP 55 CO 0.57 -1.22 2.15 0.11 0.52 0.00 0.00 175.17 177.30 2a3m h LYS 56 N 11.34 0.00 0.00 4.34 1.57 -2.01 -1.91 116.57 129.90 2a3m h LYS 56 Ca -0.46 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 2a3m h LYS 56 Cb 1.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 2a3m h LYS 56 CO 0.95 0.05 -0.08 0.87 -0.57 0.00 0.00 179.45 180.68 2a3m h LYS 57 N 0.00 0.00 -6.51 3.15 1.57 -1.99 -3.45 116.57 109.33 2a3m h LYS 57 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2a3m h LYS 57 Cb 0.11 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.45 2a3m h LYS 57 CO 0.01 0.08 0.83 0.34 -0.57 0.00 0.00 179.45 180.14 2a3m s ASP 58 N -6.03 6.73 -0.11 0.86 -1.08 -0.72 -4.91 116.67 111.41 2a3m s ASP 58 Ca 0.04 2.39 0.14 0.00 -0.52 0.00 0.00 52.55 54.59 2a3m s ASP 58 Cb 0.07 -2.58 0.32 0.00 -1.46 0.00 0.00 42.92 39.27 2a3m s ASP 58 CO 0.62 -0.75 1.22 0.29 0.52 0.00 0.00 175.17 177.07 2a3m n LYS 59 N 4.53 2.23 -1.61 4.34 4.01 -1.26 -4.66 118.16 125.73 2a3m n LYS 59 Ca 0.13 -2.43 -0.29 0.00 -0.51 0.00 0.00 58.31 55.21 2a3m n LYS 59 Cb 0.41 -1.50 0.14 0.00 -0.51 0.00 0.00 35.03 33.57 2a3m n LYS 59 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2a3m s SER 60 N -2.08 3.54 0.65 4.39 1.04 -1.26 -4.93 113.70 115.05 2a3m s SER 60 Ca 0.29 0.86 0.42 0.00 0.48 0.00 0.00 55.95 58.00 2a3m s SER 60 Cb 0.24 -1.36 2.28 0.00 0.10 0.00 0.00 66.02 67.27 2a3m s SER 60 CO 0.06 -2.52 2.33 1.62 0.98 0.00 0.00 173.24 175.71 2a3m h VAL 61 N -1.48 0.07 -0.00 5.02 3.04 -1.97 -1.93 116.25 119.00 2a3m h VAL 61 Ca -0.49 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 2a3m h VAL 61 Cb 1.32 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 2a3m h VAL 61 CO 0.60 0.00 -0.14 1.41 -1.01 0.00 0.00 177.57 178.43 2a3m n HIS 62 N -3.18 0.00 -2.12 3.17 8.25 -1.26 -4.67 115.22 115.41 2a3m n HIS 62 Ca -0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 2a3m n HIS 62 Cb 0.09 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.00 2a3m n HIS 62 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2a3m s SER 63 N -2.50 6.48 0.18 0.41 0.15 -0.73 -1.44 113.70 116.25 2a3m s SER 63 Ca 0.27 1.75 -0.08 0.00 0.70 0.00 0.00 55.95 58.59 2a3m s SER 63 Cb 0.20 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 62.04 2a3m s SER 63 CO 0.49 -1.15 1.57 0.22 1.20 0.00 0.00 173.24 175.56 2a3m h TYR 64 N 10.30 1.06 -0.91 3.44 3.20 -1.26 -3.02 116.97 129.76 2a3m h TYR 64 Ca -0.34 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.27 2a3m h TYR 64 Cb 1.15 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 2a3m h TYR 64 CO 0.90 1.06 0.58 -0.92 -1.64 0.00 0.00 178.16 178.14 2a3m h TYR 65 N 0.79 1.17 -0.40 -3.82 5.03 -1.87 -3.13 116.97 114.74 2a3m h TYR 65 Ca 0.10 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.35 2a3m h TYR 65 Cb 0.80 -0.39 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 2a3m h TYR 65 CO 0.05 0.76 -0.05 -0.22 -1.32 0.00 0.00 178.16 177.37 2a3m h LYS 66 N 1.25 0.75 0.00 1.82 3.64 -1.81 -0.39 116.57 121.82 2a3m h LYS 66 Ca 0.33 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2a3m h LYS 66 Cb -0.11 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2a3m h LYS 66 CO -0.07 0.86 0.00 -0.84 -2.27 0.00 0.00 179.45 177.13 2a3m h ILE 67 N 0.57 0.00 0.01 2.00 3.07 -1.48 -1.45 117.51 120.24 2a3m h ILE 67 Ca 0.11 -0.26 -0.40 0.00 1.55 0.00 0.00 64.86 65.86 2a3m h ILE 67 Cb 0.56 1.11 -0.06 0.00 -0.27 0.00 0.00 36.82 38.16 2a3m h ILE 67 CO 0.03 0.00 -2.38 -0.38 -1.05 0.00 0.00 178.15 174.37 2a3m n ILE 68 N -2.74 1.54 0.60 0.16 5.41 -1.12 -3.74 119.36 119.47 2a3m n ILE 68 Ca -0.00 -0.49 0.06 0.00 1.00 0.00 0.00 62.75 63.33 2a3m n ILE 68 Cb 0.20 -1.64 -0.08 0.00 -0.71 0.00 0.00 39.64 37.41 2a3m n ILE 68 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2a3m n HIS 69 N -3.67 0.00 -1.88 1.39 8.25 -0.17 -1.38 115.22 117.75 2a3m n HIS 69 Ca -0.46 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.58 2a3m n HIS 69 Cb 0.94 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 32.02 2a3m n HIS 69 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2a3m s ASP 70 N -2.35 6.51 0.45 0.41 -1.08 -0.56 -4.76 116.67 115.29 2a3m s ASP 70 Ca 0.05 2.79 0.25 0.00 -0.52 0.00 0.00 52.55 55.12 2a3m s ASP 70 Cb 0.10 -2.62 0.78 0.00 -1.46 0.00 0.00 42.92 39.72 2a3m s ASP 70 CO 0.56 -0.83 1.76 0.03 0.52 0.00 0.00 175.17 177.21 2a3m h ARG 71 N 5.39 0.00 -5.71 4.34 3.08 -1.91 -3.14 114.38 116.44 2a3m h ARG 71 Ca -0.46 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.02 2a3m h ARG 71 Cb 1.21 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.96 2a3m h ARG 71 CO 0.82 0.13 -0.84 0.15 -1.07 0.00 0.00 179.97 179.16 2a3m s LYS 72 N -3.44 1.65 0.02 0.04 3.01 -1.26 -4.32 119.74 115.44 2a3m s LYS 72 Ca 0.03 -0.67 0.00 0.00 -1.01 0.00 0.00 55.97 54.32 2a3m s LYS 72 Cb 0.08 -1.54 -0.02 0.00 -1.01 0.00 0.00 37.83 35.35 2a3m s LYS 72 CO 0.63 0.37 -0.03 0.00 0.51 0.00 0.00 175.35 176.83 2a3m s ALA 73 N -0.31 0.14 0.05 5.17 0.00 -1.26 -4.94 121.76 120.60 2a3m s ALA 73 Ca 0.04 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 2a3m s ALA 73 Cb -0.09 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2a3m s ALA 73 CO 0.00 -0.12 -0.03 2.41 0.00 0.00 0.00 175.76 178.02 2a3m n THR 74 N 1.83 0.92 -0.06 0.00 -1.04 -1.26 -4.93 114.28 109.75 2a3m n THR 74 Ca -0.22 0.26 -0.21 0.00 -2.04 0.00 0.00 64.05 61.84 2a3m n THR 74 Cb 0.56 -1.62 -0.13 0.00 -1.82 0.00 0.00 70.33 67.32 2a3m n THR 74 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2a3m h THR 75 N -0.09 0.96 -3.40 12.58 1.35 -2.03 -3.46 112.91 118.82 2a3m h THR 75 Ca -0.02 -2.27 -0.48 0.00 -0.55 0.00 0.00 66.41 63.10 2a3m h THR 75 Cb 0.38 2.47 -0.34 0.00 -1.73 0.00 0.00 68.15 68.93 2a3m h THR 75 CO -0.01 0.52 -0.80 -0.69 -0.25 0.00 0.00 175.52 174.30 2a3m s VAL 76 N -2.41 0.88 0.63 6.82 1.01 -1.26 -5.13 120.40 120.94 2a3m s VAL 76 Ca -0.25 -0.31 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 2a3m s VAL 76 Cb 0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 2a3m s VAL 76 CO 0.67 0.31 1.31 0.00 0.00 0.00 0.00 175.10 177.39 2a3m s ALA 77 N 0.93 2.47 0.34 5.51 0.00 -1.26 -4.83 121.76 124.91 2a3m s ALA 77 Ca -0.10 1.25 0.07 0.00 0.00 0.00 0.00 51.96 53.17 2a3m s ALA 77 Cb -0.15 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 2a3m s ALA 77 CO 0.01 -1.55 0.48 0.95 0.00 0.00 0.00 175.76 175.64 2a3m s THR 78 N -1.37 4.02 0.18 0.00 -4.23 -1.26 -4.95 115.64 108.03 2a3m s THR 78 Ca 0.80 -1.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.18 2a3m s THR 78 Cb -0.38 -3.39 0.08 0.00 1.34 0.00 0.00 72.50 70.15 2a3m s THR 78 CO 0.42 -0.15 1.72 0.00 -0.54 0.00 0.00 174.62 176.07 2a3m h MET 80 N 0.23 0.69 -0.56 0.00 1.85 -1.46 -0.89 114.93 114.80 2a3m h MET 80 Ca 0.22 -0.27 -0.07 0.00 -0.61 0.00 0.00 59.70 58.98 2a3m h MET 80 Cb 0.28 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.25 2a3m h MET 80 CO -0.29 0.85 0.08 0.66 -0.40 0.00 0.00 176.91 177.81 2a3m h SER 81 N 0.49 0.86 -0.10 1.39 4.64 -1.45 0.18 113.55 119.56 2a3m h SER 81 Ca 0.09 -0.19 -0.20 0.00 -0.47 0.00 0.00 61.79 61.02 2a3m h SER 81 Cb 0.60 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2a3m h SER 81 CO 0.04 0.88 -0.72 0.00 -0.87 0.00 0.00 176.83 176.16 2a3m h HIS 83 N 0.32 0.41 -0.75 0.00 3.86 -0.87 -0.04 115.15 118.08 2a3m h HIS 83 Ca -0.06 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2a3m h HIS 83 Cb 1.36 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.69 2a3m h HIS 83 CO 0.10 0.55 0.48 -0.07 0.86 0.00 0.00 177.93 179.85 2a3m h LEU 84 N 0.35 0.89 -0.35 2.43 3.38 -0.66 0.41 115.31 121.75 2a3m h LEU 84 Ca 0.06 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2a3m h LEU 84 Cb 0.53 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2a3m h LEU 84 CO 0.03 0.67 0.06 -0.08 0.09 0.00 0.00 178.44 179.21 2a3m h GLU 85 N 1.03 0.58 -0.21 1.13 4.81 -1.27 -2.53 114.58 118.11 2a3m h GLU 85 Ca 0.27 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 2a3m h GLU 85 Cb -0.08 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2a3m h GLU 85 CO -0.06 0.65 -0.24 0.00 -0.73 0.00 0.00 179.01 178.64 2a3m h ALA 86 N 0.90 1.21 0.02 2.92 0.00 -0.61 -2.84 119.26 120.86 2a3m h ALA 86 Ca 0.11 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 2a3m h ALA 86 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2a3m h ALA 86 CO 0.01 0.51 -0.94 0.00 0.00 0.00 0.00 179.25 178.83 2a3m h ALA 87 N 1.41 0.45 -0.92 0.00 0.00 -0.92 -3.48 119.26 115.79 2a3m h ALA 87 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2a3m h ALA 87 Cb 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2a3m h ALA 87 CO 0.04 0.96 0.00 0.41 0.00 0.00 0.00 179.25 180.67 2a3m n GLY 88 N 1.01 3.79 0.01 0.00 0.00 -0.96 -3.43 105.19 105.62 2a3m n GLY 88 Ca -0.04 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.08 2a3m n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2a3m n SER 89 N 6.06 0.66 -4.75 1.61 2.88 -1.26 -4.91 113.62 113.91 2a3m n SER 89 Ca 0.00 -0.37 -0.40 0.00 -1.33 0.00 0.00 58.87 56.77 2a3m n SER 89 Cb 0.00 1.55 -0.06 0.00 -0.75 0.00 0.00 64.21 64.95 2a3m n SER 89 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2a3m s ASP 90 N -3.69 7.60 0.25 -3.46 1.47 -1.22 -4.97 116.67 112.64 2a3m s ASP 90 Ca -0.02 1.90 -0.06 0.00 1.18 0.00 0.00 52.55 55.55 2a3m s ASP 90 Cb 0.13 -2.59 0.26 0.00 -0.34 0.00 0.00 42.92 40.38 2a3m s ASP 90 CO 0.80 0.16 1.92 0.11 0.68 0.00 0.00 175.17 178.84 2a3m h LYS 91 N 4.22 1.27 -0.14 2.11 6.56 -1.94 -2.46 116.57 126.19 2a3m h LYS 91 Ca -0.45 -0.08 -0.04 0.00 -1.06 0.00 0.00 60.65 59.02 2a3m h LYS 91 Cb 1.20 -0.29 -0.00 0.00 -0.57 0.00 0.00 32.23 32.57 2a3m h LYS 91 CO 0.68 0.84 -0.06 -0.44 -2.06 0.00 0.00 179.45 178.41 2a3m h ASP 92 N 1.31 0.29 -0.41 0.86 3.32 -1.96 -0.83 116.42 119.00 2a3m h ASP 92 Ca 0.36 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 2a3m h ASP 92 Cb -0.13 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2a3m h ASP 92 CO -0.08 0.63 0.06 -0.07 -1.72 0.00 0.00 179.24 178.06 2a3m h LEU 93 N -0.05 0.72 -0.49 1.55 3.38 -1.85 0.31 115.31 118.89 2a3m h LEU 93 Ca 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2a3m h LEU 93 Cb 0.52 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2a3m h LEU 93 CO 0.02 0.75 0.26 0.11 0.09 0.00 0.00 178.44 179.67 2a3m h LYS 94 N 0.73 0.68 -0.26 1.13 1.57 -1.37 0.14 116.57 119.20 2a3m h LYS 94 Ca 0.15 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2a3m h LYS 94 Cb 0.36 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2a3m h LYS 94 CO 0.01 0.55 0.15 -0.22 -0.57 0.00 0.00 179.45 179.36 2a3m h LYS 95 N 0.64 0.36 -0.10 3.15 3.11 -0.64 -0.35 116.57 122.74 2a3m h LYS 95 Ca 0.17 -0.04 -0.20 0.00 -2.81 0.00 0.00 60.65 57.78 2a3m h LYS 95 Cb 0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.22 2a3m h LYS 95 CO -0.03 0.30 -0.75 0.93 -2.81 0.00 0.00 179.45 177.09 2a3m h GLU 96 N 0.32 0.52 0.00 1.90 5.08 -0.80 -3.29 114.58 118.31 2a3m h GLU 96 Ca 0.09 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 2a3m h GLU 96 Cb 0.04 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2a3m h GLU 96 CO -0.02 1.06 -1.62 1.28 -1.00 0.00 0.00 179.01 178.71 2a3m n LEU 97 N -3.86 0.00 0.00 1.33 4.77 0.47 -0.33 117.00 119.38 2a3m n LEU 97 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2a3m n LEU 97 Cb 0.72 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 2a3m n LEU 97 CO 0.50 0.02 -0.06 0.35 -1.33 0.00 0.00 177.39 176.87 2a3m n THR 98 N -2.00 0.00 -2.13 -5.08 -2.24 -0.21 -4.84 114.28 97.78 2a3m n THR 98 Ca -0.04 -0.31 -0.34 0.00 -2.27 0.00 0.00 64.05 61.08 2a3m n THR 98 Cb 0.39 0.90 0.01 0.00 -2.10 0.00 0.00 70.33 69.53 2a3m n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2a3m s GLY 99 N -0.86 2.45 0.41 3.38 0.00 -0.81 -4.95 107.32 106.94 2a3m s GLY 99 Ca 0.00 0.69 0.22 0.00 0.00 0.00 0.00 44.72 45.63 2a3m s GLY 99 CO 0.00 1.04 1.63 0.00 0.00 0.00 0.00 173.10 175.78 2a3m s LYS 101 N -3.25 0.80 -1.29 0.00 2.47 -1.26 -4.73 119.74 112.49 2a3m s LYS 101 Ca 0.05 -0.31 0.00 0.00 -1.56 0.00 0.00 55.97 54.15 2a3m s LYS 101 Cb 0.07 0.35 0.00 0.00 -1.46 0.00 0.00 37.83 36.79 2a3m s LYS 101 CO 0.67 -0.25 0.00 1.63 0.16 0.00 0.00 175.35 177.56 2a3m n LYS 102 N 0.84 -1.01 -3.27 4.03 4.76 0.30 -4.96 118.16 118.85 2a3m n LYS 102 Ca -0.20 0.91 -0.19 0.00 -2.87 0.00 0.00 58.31 55.96 2a3m n LYS 102 Cb 0.58 -4.98 -0.01 0.00 -1.84 0.00 0.00 35.03 28.78 2a3m n LYS 102 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2a3m s SER 103 N -2.75 5.34 0.49 4.39 1.04 -0.92 -4.65 113.70 116.64 2a3m s SER 103 Ca 0.00 -0.60 0.27 0.00 0.48 0.00 0.00 55.95 56.10 2a3m s SER 103 Cb 0.00 -0.55 1.17 0.00 0.10 0.00 0.00 66.02 66.74 2a3m s SER 103 CO 0.00 -0.75 1.93 0.11 0.98 0.00 0.00 173.24 175.50 2a3m h LYS 104 N 0.79 0.00 0.05 4.02 1.57 -0.90 -1.44 116.57 120.66 2a3m h LYS 104 Ca -0.40 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2a3m h LYS 104 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2a3m h LYS 104 CO 0.50 0.15 -0.03 0.00 -0.57 0.00 0.00 179.45 179.51 2a3m s HIS 106 N -2.89 3.48 -2.00 0.00 3.76 -1.14 -4.60 115.29 111.90 2a3m s HIS 106 Ca -0.14 -3.28 0.05 0.00 -0.15 0.00 0.00 55.06 51.54 2a3m s HIS 106 Cb -0.01 -2.77 0.31 0.00 1.11 0.00 0.00 32.58 31.22 2a3m s HIS 106 CO 0.54 -0.61 0.78 -2.30 -0.85 0.00 0.00 174.74 172.30