#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2m s LYS 2 N 0.00 1.84 -0.51 2.12 -0.14 -1.26 -5.11 119.74 116.69 1t2m s LYS 2 Ca 0.00 -1.00 -0.19 0.00 -1.36 0.00 0.00 55.97 53.42 1t2m s LYS 2 Cb 0.00 -1.92 0.06 0.00 -1.68 0.00 0.00 37.83 34.30 1t2m s LYS 2 CO 0.00 0.51 0.60 -1.21 -0.76 0.00 0.00 175.35 174.49 1t2m s GLU 3 N -0.97 3.10 0.40 1.68 8.01 -1.26 -5.07 118.70 124.60 1t2m s GLU 3 Ca 0.10 -0.97 -0.07 0.00 0.01 0.00 0.00 54.97 54.04 1t2m s GLU 3 Cb -0.10 -4.11 0.10 0.00 -4.31 0.00 0.00 34.13 25.71 1t2m s GLU 3 CO 0.01 -1.22 0.37 -0.35 0.01 0.00 0.00 175.26 174.08 1t2m n PRO 4 N 6.07 -1.64 -3.99 0.39 -0.04 -1.26 -5.05 135.00 129.48 1t2m n PRO 4 Ca -0.07 -0.59 -0.31 0.00 -0.04 0.00 0.00 63.50 62.49 1t2m n PRO 4 Cb 0.45 -0.54 -0.15 0.00 -0.04 0.00 0.00 33.50 33.22 1t2m n PRO 4 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1t2m s GLU 5 N -3.83 1.70 -0.04 0.54 2.56 -1.26 -4.92 118.70 113.44 1t2m s GLU 5 Ca 0.24 -1.40 -0.29 0.00 0.00 0.00 0.00 54.97 53.52 1t2m s GLU 5 Cb -0.02 -2.83 -0.02 0.00 2.00 0.00 0.00 34.13 33.25 1t2m s GLU 5 CO 0.18 -0.73 0.97 0.42 -0.56 0.00 0.00 175.26 175.54 1t2m s ILE 6 N 1.16 4.85 -0.06 -3.70 -1.09 -1.26 -2.86 121.20 118.25 1t2m s ILE 6 Ca -0.00 2.02 -0.11 0.00 -2.23 0.00 0.00 60.65 60.33 1t2m s ILE 6 Cb -0.19 -4.30 0.02 0.00 -1.58 0.00 0.00 42.46 36.41 1t2m s ILE 6 CO -0.08 0.11 0.25 0.27 -1.23 0.00 0.00 174.94 174.27 1t2m s ILE 7 N 1.34 0.03 -0.44 2.92 -4.36 -0.51 -4.99 121.20 115.19 1t2m s ILE 7 Ca 0.50 -0.27 -0.12 0.00 -0.26 0.00 0.00 60.65 60.49 1t2m s ILE 7 Cb -0.20 -0.46 0.07 0.00 1.25 0.00 0.00 42.46 43.12 1t2m s ILE 7 CO 0.24 -0.15 0.32 -0.89 0.24 0.00 0.00 174.94 174.70 1t2m s THR 8 N -0.58 4.72 0.09 8.37 2.01 -1.26 -0.87 115.64 128.11 1t2m s THR 8 Ca -0.07 -1.20 -0.10 0.00 0.31 0.00 0.00 61.69 60.63 1t2m s THR 8 Cb -0.04 -3.83 -0.06 0.00 0.01 0.00 0.00 72.50 68.58 1t2m s THR 8 CO 0.02 -0.52 0.42 0.68 -0.69 0.00 0.00 174.62 174.53 1t2m s VAL 9 N 1.53 5.06 -0.55 3.82 -7.23 -0.34 -4.81 120.40 117.89 1t2m s VAL 9 Ca 0.03 0.50 -0.18 0.00 -1.81 0.00 0.00 61.98 60.53 1t2m s VAL 9 Cb -0.23 -3.66 0.09 0.00 0.56 0.00 0.00 36.38 33.14 1t2m s VAL 9 CO 0.05 0.29 0.63 -0.89 -0.31 0.00 0.00 175.10 174.86 1t2m s THR 10 N -1.40 4.92 -0.08 5.32 2.01 -1.26 -1.01 115.64 124.14 1t2m s THR 10 Ca 0.33 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 1t2m s THR 10 Cb -0.14 -4.39 -0.04 0.00 0.01 0.00 0.00 72.50 67.94 1t2m s THR 10 CO 0.18 -0.96 0.11 -0.22 -0.69 0.00 0.00 174.62 173.04 1t2m s LEU 11 N 2.45 4.13 -0.28 4.42 0.20 -0.22 -4.91 118.68 124.47 1t2m s LEU 11 Ca 0.11 0.33 -0.06 0.00 0.69 0.00 0.00 54.13 55.20 1t2m s LEU 11 Cb -0.24 -2.13 0.01 0.00 -0.43 0.00 0.00 46.19 43.41 1t2m s LEU 11 CO 0.07 0.36 0.05 -0.75 -0.29 0.00 0.00 176.35 175.79 1t2m s LYS 12 N -1.25 3.09 0.01 1.98 2.20 -1.26 -0.46 119.74 124.05 1t2m s LYS 12 Ca 0.18 -0.85 -0.33 0.00 -0.36 0.00 0.00 55.97 54.61 1t2m s LYS 12 Cb -0.12 -3.28 -0.12 0.00 -1.51 0.00 0.00 37.83 32.80 1t2m s LYS 12 CO 0.07 -0.41 1.83 1.63 -0.36 0.00 0.00 175.35 178.12 1t2m n LYS 13 N 4.83 2.38 -3.46 4.03 5.02 0.57 -4.67 118.16 126.87 1t2m n LYS 13 Ca -0.15 0.87 -0.31 0.00 -2.02 0.00 0.00 58.31 56.70 1t2m n LYS 13 Cb 0.48 -2.73 -0.07 0.00 -0.02 0.00 0.00 35.03 32.70 1t2m n LYS 13 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1t2m n GLN 14 N 6.01 2.79 -3.37 1.97 7.27 -1.26 -4.78 117.38 126.01 1t2m n GLN 14 Ca 0.20 -4.60 -0.23 0.00 0.07 0.00 0.00 57.00 52.44 1t2m n GLN 14 Cb 0.32 -2.33 0.06 0.00 2.41 0.00 0.00 30.24 30.70 1t2m n GLN 14 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1t2m n ASN 15 N 1.32 -6.25 0.00 1.69 5.15 -1.26 -4.50 115.26 111.41 1t2m n ASN 15 Ca 0.26 -0.44 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1t2m n ASN 15 Cb 0.38 -4.95 0.00 0.00 -0.53 0.00 0.00 39.78 34.68 1t2m n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1t2m n GLY 16 N -1.82 4.46 0.08 8.20 0.00 -1.26 -5.05 105.19 109.80 1t2m n GLY 16 Ca -0.04 -1.38 -0.04 0.00 0.00 0.00 0.00 46.02 44.56 1t2m n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1t2m n MET 17 N -1.89 0.24 -2.00 1.61 2.81 -1.26 -3.86 117.12 112.78 1t2m n MET 17 Ca 0.00 0.10 -0.02 0.00 -1.81 0.00 0.00 57.70 55.97 1t2m n MET 17 Cb 0.00 -0.92 0.01 0.00 -0.71 0.00 0.00 33.22 31.60 1t2m n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1t2m n GLY 18 N 1.55 -0.17 2.69 3.03 0.00 -1.26 -4.16 105.19 106.87 1t2m n GLY 18 Ca -0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 1t2m n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t2m s LEU 19 N -3.13 0.12 -0.41 0.99 1.02 -1.26 -0.20 118.68 115.81 1t2m s LEU 19 Ca 0.07 -0.32 -0.29 0.00 0.02 0.00 0.00 54.13 53.61 1t2m s LEU 19 Cb -0.01 0.04 0.02 0.00 0.02 0.00 0.00 46.19 46.27 1t2m s LEU 19 CO 0.22 -0.32 1.10 -0.44 0.02 0.00 0.00 176.35 176.93 1t2m s SER 20 N 2.22 6.76 0.46 2.29 0.01 0.19 -4.98 113.70 120.66 1t2m s SER 20 Ca 0.04 0.72 0.06 0.00 1.31 0.00 0.00 55.95 58.07 1t2m s SER 20 Cb -0.15 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 1t2m s SER 20 CO -0.09 -1.08 0.18 0.27 0.41 0.00 0.00 173.24 172.93 1t2m s ILE 21 N 4.07 1.89 -0.11 1.44 -4.36 -1.26 -0.25 121.20 122.62 1t2m s ILE 21 Ca 0.46 -1.73 -0.09 0.00 -0.26 0.00 0.00 60.65 59.03 1t2m s ILE 21 Cb -0.09 -2.63 0.03 0.00 1.25 0.00 0.00 42.46 41.02 1t2m s ILE 21 CO 0.24 0.00 0.30 0.54 0.24 0.00 0.00 174.94 176.26 1t2m s VAL 22 N -2.71 -0.01 -0.44 8.37 0.11 0.59 -4.83 120.40 121.48 1t2m s VAL 22 Ca 0.32 0.03 -0.17 0.00 -2.93 0.00 0.00 61.98 59.23 1t2m s VAL 22 Cb 0.02 -0.42 0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1t2m s VAL 22 CO 0.18 0.01 0.41 0.00 -3.33 0.00 0.00 175.10 172.37 1t2m s ALA 23 N 0.43 3.46 0.33 1.54 0.00 -1.26 -1.17 121.76 125.09 1t2m s ALA 23 Ca -0.02 -1.71 -0.10 0.00 0.00 0.00 0.00 51.96 50.13 1t2m s ALA 23 Cb -0.04 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 20.05 1t2m s ALA 23 CO -0.02 -1.63 0.58 0.00 0.00 0.00 0.00 175.76 174.70 1t2m s ALA 24 N 1.97 0.00 0.46 0.00 0.00 -1.16 -4.82 121.76 118.21 1t2m s ALA 24 Ca 0.09 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 51.03 1t2m s ALA 24 Cb -0.19 0.98 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 1t2m s ALA 24 CO 0.11 -0.88 0.36 0.15 0.00 0.00 0.00 175.76 175.50 1t2m s LYS 25 N -3.06 2.39 0.00 0.00 1.02 -1.26 -2.35 119.74 116.47 1t2m s LYS 25 Ca 0.23 -1.74 0.00 0.00 0.02 0.00 0.00 55.97 54.48 1t2m s LYS 25 Cb -0.02 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1t2m s LYS 25 CO 0.15 -0.32 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 1t2m n GLY 26 N -1.57 4.06 3.85 -3.33 0.00 -1.26 -5.01 105.19 101.93 1t2m n GLY 26 Ca 0.02 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 1t2m n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t2m s ALA 27 N -1.22 3.67 -1.55 4.61 0.00 -1.26 -4.33 121.76 121.67 1t2m s ALA 27 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1t2m s ALA 27 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1t2m s ALA 27 CO 0.00 0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.54 1t2m n GLY 28 N -0.86 0.50 2.88 0.00 0.00 -1.26 -4.92 105.19 101.53 1t2m n GLY 28 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1t2m n GLY 28 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1t2m s GLN 29 N -4.22 1.26 -0.00 1.61 0.74 -1.26 -4.97 119.66 112.82 1t2m s GLN 29 Ca 0.00 -1.18 0.07 0.00 0.05 0.00 0.00 55.36 54.31 1t2m s GLN 29 Cb 0.00 -2.52 0.22 0.00 1.10 0.00 0.00 33.01 31.81 1t2m s GLN 29 CO 0.00 -0.79 1.17 -3.47 -0.55 0.00 0.00 175.29 171.65 1t2m n ASP 30 N 4.65 1.37 -0.27 6.67 2.03 -1.26 -4.72 116.55 125.03 1t2m n ASP 30 Ca -0.05 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.24 1t2m n ASP 30 Cb 0.43 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1t2m n ASP 30 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1t2m n LYS 31 N 0.22 0.00 -4.04 -0.67 4.76 -1.26 -5.07 118.16 112.10 1t2m n LYS 31 Ca 0.08 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.17 1t2m n LYS 31 Cb 0.22 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.33 1t2m n LYS 31 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1t2m s LEU 32 N 0.00 3.93 0.16 -0.35 1.98 -1.26 -4.76 118.68 118.37 1t2m s LEU 32 Ca 0.00 0.20 0.10 0.00 -2.89 0.00 0.00 54.13 51.54 1t2m s LEU 32 Cb 0.00 -1.96 -0.04 0.00 0.66 0.00 0.00 46.19 44.84 1t2m s LEU 32 CO 0.00 0.28 -0.19 -0.83 -1.89 0.00 0.00 176.35 173.71 1t2m s GLY 33 N -0.24 1.69 -0.11 7.98 0.00 -0.99 -1.41 107.32 114.24 1t2m s GLY 33 Ca 0.08 -1.49 -0.16 0.00 0.00 0.00 0.00 44.72 43.16 1t2m s GLY 33 CO 0.01 -1.49 0.40 -0.42 0.00 0.00 0.00 173.10 171.61 1t2m s ILE 34 N -1.41 5.19 0.30 0.90 -1.09 -0.90 -3.00 121.20 121.19 1t2m s ILE 34 Ca 0.20 0.80 0.09 0.00 -2.23 0.00 0.00 60.65 59.51 1t2m s ILE 34 Cb -0.09 -3.74 -0.06 0.00 -1.58 0.00 0.00 42.46 36.99 1t2m s ILE 34 CO 0.10 0.40 -0.11 -0.31 -1.23 0.00 0.00 174.94 173.79 1t2m s TYR 35 N 0.20 2.21 -0.08 3.97 2.02 -0.32 0.19 117.35 125.55 1t2m s TYR 35 Ca 0.23 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 1t2m s TYR 35 Cb -0.15 -1.19 -0.02 0.00 -0.40 0.00 0.00 41.96 40.21 1t2m s TYR 35 CO 0.09 0.52 -0.17 0.08 -1.57 0.00 0.00 175.55 174.50 1t2m s VAL 36 N -2.72 2.77 -0.06 0.71 1.01 0.16 -0.30 120.40 121.97 1t2m s VAL 36 Ca 0.30 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1t2m s VAL 36 Cb 0.01 -2.09 -0.06 0.00 0.00 0.00 0.00 36.38 34.24 1t2m s VAL 36 CO 0.14 0.56 -0.01 2.29 0.00 0.00 0.00 175.10 178.08 1t2m n LYS 37 N 2.88 1.97 -3.72 2.72 2.85 0.65 -0.75 118.16 124.76 1t2m n LYS 37 Ca -0.18 0.01 -0.09 0.00 -1.05 0.00 0.00 58.31 57.01 1t2m n LYS 37 Cb 0.52 -1.15 -0.03 0.00 -0.65 0.00 0.00 35.03 33.72 1t2m n LYS 37 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1t2m s SER 38 N -4.09 -0.31 -0.03 -5.58 0.15 -1.11 -3.99 113.70 98.74 1t2m s SER 38 Ca -0.06 -0.45 -0.01 0.00 0.70 0.00 0.00 55.95 56.14 1t2m s SER 38 Cb 0.02 0.62 0.03 0.00 -1.71 0.00 0.00 66.02 64.99 1t2m s SER 38 CO 0.21 -1.12 0.05 -0.69 1.20 0.00 0.00 173.24 172.89 1t2m s VAL 39 N -3.87 -0.08 0.21 4.45 1.01 -1.26 0.55 120.40 121.41 1t2m s VAL 39 Ca 0.09 0.30 -0.31 0.00 0.00 0.00 0.00 61.98 62.05 1t2m s VAL 39 Cb -0.02 -0.12 -0.11 0.00 0.00 0.00 0.00 36.38 36.13 1t2m s VAL 39 CO -0.01 0.12 1.61 -0.69 0.00 0.00 0.00 175.10 176.13 1t2m s VAL 40 N 1.51 2.32 -0.79 2.92 1.01 0.72 -4.92 120.40 123.17 1t2m s VAL 40 Ca -0.04 0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.92 1t2m s VAL 40 Cb -0.13 -3.15 0.04 0.00 0.00 0.00 0.00 36.38 33.14 1t2m s VAL 40 CO -0.03 0.03 1.29 -0.54 0.00 0.00 0.00 175.10 175.84 1t2m s LYS 41 N 0.66 3.26 0.00 2.72 3.01 -1.26 -3.63 119.74 124.49 1t2m s LYS 41 Ca 0.69 -0.44 0.00 0.00 -1.01 0.00 0.00 55.97 55.21 1t2m s LYS 41 Cb -0.46 -4.39 0.00 0.00 -1.01 0.00 0.00 37.83 31.96 1t2m s LYS 41 CO 0.36 -2.14 0.00 0.41 0.51 0.00 0.00 175.35 174.49 1t2m n GLY 42 N 5.64 2.66 3.76 -3.33 0.00 -1.26 -5.11 105.19 107.55 1t2m n GLY 42 Ca 0.08 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1t2m n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t2m s GLY 43 N 0.00 1.67 0.33 -0.02 0.00 -1.24 -4.73 107.32 103.34 1t2m s GLY 43 Ca 0.00 0.29 0.09 0.00 0.00 0.00 0.00 44.72 45.10 1t2m s GLY 43 CO 0.00 0.65 1.79 0.00 0.00 0.00 0.00 173.10 175.54 1t2m h ALA 44 N -1.22 1.81 -0.74 3.20 0.00 -1.76 -0.44 119.26 120.12 1t2m h ALA 44 Ca -0.44 0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.62 1t2m h ALA 44 Cb 1.24 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 1t2m h ALA 44 CO 0.50 -0.17 0.41 0.00 0.00 0.00 0.00 179.25 179.99 1t2m h ALA 45 N 1.64 1.02 0.02 0.00 0.00 -1.85 0.52 119.26 120.61 1t2m h ALA 45 Ca 0.56 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 55.27 1t2m h ALA 45 Cb 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1t2m h ALA 45 CO -0.34 0.05 -0.99 0.22 0.00 0.00 0.00 179.25 178.19 1t2m h ASP 46 N 0.71 0.52 -0.34 0.00 3.58 -1.36 -3.14 116.42 116.38 1t2m h ASP 46 Ca 0.35 -0.43 -0.10 0.00 0.42 0.00 0.00 57.03 57.26 1t2m h ASP 46 Cb 0.29 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1t2m h ASP 46 CO -0.23 1.24 -0.20 0.58 -2.88 0.00 0.00 179.24 177.76 1t2m h VAL 47 N 0.20 1.29 -0.60 2.25 2.07 -0.50 -3.17 116.25 117.80 1t2m h VAL 47 Ca -0.09 -1.33 0.03 0.00 0.82 0.00 0.00 66.70 66.14 1t2m h VAL 47 Cb 1.64 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 1t2m h VAL 47 CO 0.17 0.43 0.35 0.44 0.02 0.00 0.00 177.57 178.98 1t2m h ASP 48 N 0.51 0.56 -0.69 0.57 3.32 -0.06 -3.47 116.42 117.16 1t2m h ASP 48 Ca 0.07 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 1t2m h ASP 48 Cb 0.74 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1t2m h ASP 48 CO 0.06 0.38 -0.14 0.61 -1.72 0.00 0.00 179.24 178.43 1t2m n GLY 49 N -1.27 0.30 0.10 2.75 0.00 -1.19 -4.94 105.19 100.94 1t2m n GLY 49 Ca 0.06 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 1t2m n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1t2m h ARG 50 N 0.00 0.18 0.00 1.61 2.47 -1.90 -3.48 114.38 113.26 1t2m h ARG 50 Ca -0.13 -0.31 -0.53 0.00 -1.26 0.00 0.00 59.98 57.75 1t2m h ARG 50 Cb 0.93 0.12 -0.12 0.00 -1.65 0.00 0.00 29.97 29.25 1t2m h ARG 50 CO 0.17 1.07 -0.44 1.47 0.56 0.00 0.00 179.97 182.79 1t2m n LEU 51 N -3.42 0.00 0.00 3.04 -0.00 -1.26 -5.09 117.00 110.27 1t2m n LEU 51 Ca -0.11 -2.95 0.00 0.00 -0.00 0.00 0.00 56.01 52.95 1t2m n LEU 51 Cb 1.02 0.96 0.00 0.00 -0.00 0.00 0.00 43.42 45.40 1t2m n LEU 51 CO 0.50 -0.45 0.00 0.00 -0.00 0.00 0.00 177.39 177.44 1t2m n ALA 52 N -1.18 0.00 -2.56 1.47 0.00 -1.26 -4.96 120.51 112.02 1t2m n ALA 52 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 1t2m n ALA 52 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 1t2m n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t2m s ALA 53 N -1.70 3.68 -0.33 0.00 0.00 -1.26 -4.50 121.76 117.64 1t2m s ALA 53 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 51.96 51.49 1t2m s ALA 53 Cb 0.00 -2.26 -0.00 0.00 0.00 0.00 0.00 23.12 20.86 1t2m s ALA 53 CO 0.00 0.53 0.28 0.41 0.00 0.00 0.00 175.76 176.97 1t2m n GLY 54 N -0.20 0.23 3.47 0.00 0.00 0.07 -4.85 105.19 103.90 1t2m n GLY 54 Ca -0.01 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 1t2m n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t2m s ASP 55 N -3.36 2.60 0.29 1.61 1.01 -0.93 -1.67 116.67 116.21 1t2m s ASP 55 Ca 0.01 -1.73 0.10 0.00 0.71 0.00 0.00 52.55 51.64 1t2m s ASP 55 Cb -0.00 0.58 -0.05 0.00 1.01 0.00 0.00 42.92 44.46 1t2m s ASP 55 CO 0.20 -1.00 -0.07 -1.58 0.21 0.00 0.00 175.17 172.93 1t2m s GLN 56 N -3.62 2.02 -0.02 8.23 -0.44 -1.09 0.41 119.66 125.15 1t2m s GLN 56 Ca 0.27 -1.63 -0.29 0.00 -2.50 0.00 0.00 55.36 51.22 1t2m s GLN 56 Cb 0.02 -1.96 0.10 0.00 -1.64 0.00 0.00 33.01 29.52 1t2m s GLN 56 CO 0.18 0.30 0.82 -0.48 0.50 0.00 0.00 175.29 176.61 1t2m s LEU 57 N -3.62 -0.46 0.17 3.68 0.05 0.13 0.53 118.68 119.16 1t2m s LEU 57 Ca 0.32 0.24 0.00 0.00 0.05 0.00 0.00 54.13 54.73 1t2m s LEU 57 Cb -0.04 2.19 0.00 0.00 -2.05 0.00 0.00 46.19 46.28 1t2m s LEU 57 CO 0.18 -0.61 0.00 0.18 -0.55 0.00 0.00 176.35 175.55 1t2m n LEU 58 N 0.19 -0.62 -4.72 1.48 4.32 -0.85 -2.13 117.00 114.67 1t2m n LEU 58 Ca -0.13 0.30 -0.41 0.00 -0.02 0.00 0.00 56.01 55.75 1t2m n LEU 58 Cb 0.60 0.73 -0.04 0.00 -1.62 0.00 0.00 43.42 43.10 1t2m n LEU 58 CO 0.15 -0.50 0.79 -0.55 -1.22 0.00 0.00 177.39 176.05 1t2m s SER 59 N -4.22 7.25 -0.14 -1.43 0.15 -1.25 -0.55 113.70 113.51 1t2m s SER 59 Ca 0.00 1.96 -0.04 0.00 0.70 0.00 0.00 55.95 58.57 1t2m s SER 59 Cb 0.00 -2.59 0.07 0.00 -1.71 0.00 0.00 66.02 61.79 1t2m s SER 59 CO 0.00 -0.29 0.22 -0.69 1.20 0.00 0.00 173.24 173.68 1t2m s VAL 60 N 0.40 -0.34 -1.39 4.45 1.01 0.13 -0.17 120.40 124.48 1t2m s VAL 60 Ca 0.52 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.60 1t2m s VAL 60 Cb -0.27 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 35.67 1t2m s VAL 60 CO 0.31 0.04 1.14 -0.67 0.00 0.00 0.00 175.10 175.92 1t2m n ASP 61 N 5.33 -5.95 -0.72 3.32 2.03 0.55 -1.57 116.55 119.55 1t2m n ASP 61 Ca -0.05 -0.59 -0.08 0.00 0.52 0.00 0.00 54.79 54.58 1t2m n ASP 61 Cb 0.50 -4.79 -0.03 0.00 -0.72 0.00 0.00 41.12 36.08 1t2m n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t2m n GLY 62 N -1.93 0.70 3.01 0.27 0.00 -1.25 -4.86 105.19 101.12 1t2m n GLY 62 Ca 0.01 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 1t2m n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t2m s ARG 63 N -3.23 1.70 -0.31 1.61 0.52 -0.61 -5.11 118.95 113.52 1t2m s ARG 63 Ca 0.00 -0.40 -0.26 0.00 -0.52 0.00 0.00 55.73 54.56 1t2m s ARG 63 Cb 0.00 -1.46 0.01 0.00 0.52 0.00 0.00 34.95 34.02 1t2m s ARG 63 CO 0.00 -0.03 0.90 -1.12 0.02 0.00 0.00 175.30 175.08 1t2m s SER 64 N 0.85 6.77 -1.12 0.23 0.01 -1.26 0.20 113.70 119.37 1t2m s SER 64 Ca -0.11 0.81 -0.08 0.00 1.31 0.00 0.00 55.95 57.88 1t2m s SER 64 Cb -0.15 -2.46 0.28 0.00 0.21 0.00 0.00 66.02 63.89 1t2m s SER 64 CO 0.01 -0.72 1.27 0.18 0.41 0.00 0.00 173.24 174.39 1t2m n LEU 65 N 6.47 5.79 -3.94 2.44 4.77 0.29 -4.94 117.00 127.88 1t2m n LEU 65 Ca 0.07 -5.03 -0.30 0.00 -0.03 0.00 0.00 56.01 50.72 1t2m n LEU 65 Cb 0.48 -1.44 -0.15 0.00 -2.33 0.00 0.00 43.42 39.99 1t2m n LEU 65 CO 0.54 1.39 -0.29 -0.69 -1.33 0.00 0.00 177.39 177.02 1t2m s VAL 66 N -1.41 2.08 0.00 4.08 1.01 -1.26 -4.49 120.40 120.41 1t2m s VAL 66 Ca 0.32 -2.48 0.00 0.00 0.00 0.00 0.00 61.98 59.83 1t2m s VAL 66 Cb -0.05 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1t2m s VAL 66 CO -0.02 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.00 1t2m n GLY 67 N 3.99 1.22 3.41 4.51 0.00 -0.50 -4.68 105.19 113.14 1t2m n GLY 67 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1t2m n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t2m s LEU 68 N 0.00 1.87 0.52 0.99 1.02 -1.26 -4.84 118.68 116.98 1t2m s LEU 68 Ca 0.00 -1.74 0.07 0.00 0.02 0.00 0.00 54.13 52.47 1t2m s LEU 68 Cb 0.00 0.24 0.03 0.00 0.02 0.00 0.00 46.19 46.48 1t2m s LEU 68 CO 0.00 -1.02 0.46 -0.44 0.02 0.00 0.00 176.35 175.36 1t2m s SER 69 N -3.50 4.78 0.26 2.29 0.01 -1.26 -4.76 113.70 111.51 1t2m s SER 69 Ca 0.31 -1.09 -0.03 0.00 1.31 0.00 0.00 55.95 56.45 1t2m s SER 69 Cb 0.02 0.19 0.37 0.00 0.21 0.00 0.00 66.02 66.81 1t2m s SER 69 CO 0.21 -1.04 1.90 -0.61 0.41 0.00 0.00 173.24 174.11 1t2m h GLN 70 N 0.73 1.20 0.11 12.44 4.15 -1.92 -1.13 115.11 130.68 1t2m h GLN 70 Ca -0.37 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 58.98 1t2m h GLN 70 Cb 1.29 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.71 1t2m h GLN 70 CO 0.55 0.79 -0.05 0.93 -1.93 0.00 0.00 178.83 179.12 1t2m h GLU 71 N 1.23 -0.14 0.05 1.69 3.07 -1.98 0.15 114.58 118.64 1t2m h GLU 71 Ca 0.41 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1t2m h GLU 71 Cb 0.06 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1t2m h GLU 71 CO -0.14 -0.06 -0.05 0.00 -1.40 0.00 0.00 179.01 177.36 1t2m h ARG 72 N -0.19 -0.11 0.26 2.33 2.47 -1.86 0.33 114.38 117.62 1t2m h ARG 72 Ca -0.02 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1t2m h ARG 72 Cb 0.15 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1t2m h ARG 72 CO 0.02 -0.07 -0.13 0.00 0.56 0.00 0.00 179.97 180.35 1t2m h ALA 73 N 0.84 -0.35 -0.44 0.04 0.00 -1.15 0.07 119.26 118.27 1t2m h ALA 73 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1t2m h ALA 73 Cb 0.12 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1t2m h ALA 73 CO -0.02 -0.70 0.29 0.00 0.00 0.00 0.00 179.25 178.82 1t2m h ALA 74 N 0.39 0.55 -0.62 0.00 0.00 -0.63 0.31 119.26 119.27 1t2m h ALA 74 Ca -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1t2m h ALA 74 Cb 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1t2m h ALA 74 CO 0.06 0.01 0.38 1.49 0.00 0.00 0.00 179.25 181.19 1t2m h GLU 75 N 0.59 0.82 0.07 0.00 4.57 -0.20 0.48 114.58 120.92 1t2m h GLU 75 Ca 0.16 -0.06 -0.28 0.00 -1.18 0.00 0.00 59.36 57.99 1t2m h GLU 75 Cb -0.06 -0.18 0.02 0.00 -0.16 0.00 0.00 28.75 28.37 1t2m h GLU 75 CO -0.03 0.57 -1.16 -0.07 -1.18 0.00 0.00 179.01 177.14 1t2m h LEU 76 N 0.84 0.85 -1.20 1.64 3.38 -0.41 -2.33 115.31 118.08 1t2m h LEU 76 Ca 0.22 -0.75 -0.07 0.00 0.09 0.00 0.00 57.88 57.38 1t2m h LEU 76 Cb -0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1t2m h LEU 76 CO -0.04 1.55 -0.20 0.24 0.09 0.00 0.00 178.44 180.08 1t2m h MET 77 N 0.31 0.31 0.05 1.13 2.86 0.03 -2.77 114.93 116.85 1t2m h MET 77 Ca -0.16 -0.09 -0.23 0.00 -2.06 0.00 0.00 59.70 57.16 1t2m h MET 77 Cb 1.82 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.44 1t2m h MET 77 CO 0.22 0.50 -1.05 0.00 1.06 0.00 0.00 176.91 177.64 1t2m h THR 78 N 0.29 1.58 -0.97 2.22 1.03 -0.95 -3.32 112.91 112.78 1t2m h THR 78 Ca 0.05 -3.08 -0.48 0.00 -0.01 0.00 0.00 66.41 62.89 1t2m h THR 78 Cb 0.51 2.78 -0.16 0.00 -1.07 0.00 0.00 68.15 70.21 1t2m h THR 78 CO 0.03 0.89 0.43 0.54 -0.01 0.00 0.00 175.52 177.41 1t2m n ARG 79 N -3.50 2.48 -4.74 0.00 1.74 -0.88 -4.91 116.66 106.86 1t2m n ARG 79 Ca -0.04 -2.28 -0.33 0.00 -0.77 0.00 0.00 57.85 54.43 1t2m n ARG 79 Cb 0.93 -2.16 -0.07 0.00 -1.02 0.00 0.00 32.46 30.14 1t2m n ARG 79 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1t2m n THR 80 N 1.08 0.00 -2.06 0.55 -2.24 -1.24 -4.95 114.28 105.42 1t2m n THR 80 Ca 0.49 -2.47 -0.08 0.00 -2.27 0.00 0.00 64.05 59.73 1t2m n THR 80 Cb 0.57 0.52 0.04 0.00 -2.10 0.00 0.00 70.33 69.36 1t2m n THR 80 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1t2m n SER 81 N -1.33 0.31 -0.04 3.42 7.64 -1.26 -5.00 113.62 117.37 1t2m n SER 81 Ca -0.21 -1.30 -0.09 0.00 1.01 0.00 0.00 58.87 58.29 1t2m n SER 81 Cb 0.66 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 1t2m n SER 81 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1t2m h SER 82 N -0.28 -0.13 -3.18 6.43 4.64 -1.95 -3.41 113.55 115.67 1t2m h SER 82 Ca -0.11 0.05 -0.60 0.00 -0.47 0.00 0.00 61.79 60.66 1t2m h SER 82 Cb 0.38 0.10 -0.08 0.00 -0.31 0.00 0.00 62.40 62.48 1t2m h SER 82 CO 0.11 -0.04 -0.27 -0.69 -0.87 0.00 0.00 176.83 175.07 1t2m s VAL 83 N -6.20 5.23 -0.03 0.95 1.01 -1.26 -0.31 120.40 119.78 1t2m s VAL 83 Ca -0.13 0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.51 1t2m s VAL 83 Cb 0.10 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.84 1t2m s VAL 83 CO 0.68 0.44 0.04 -0.69 0.00 0.00 0.00 175.10 175.57 1t2m s VAL 84 N -0.00 -0.02 -0.40 2.92 1.01 0.39 -4.95 120.40 119.35 1t2m s VAL 84 Ca 0.20 0.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.27 1t2m s VAL 84 Cb -0.14 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.09 1t2m s VAL 84 CO 0.07 0.14 0.54 0.42 0.00 0.00 0.00 175.10 176.27 1t2m s THR 85 N 1.53 4.97 -0.21 3.92 -4.23 -1.26 -1.05 115.64 119.31 1t2m s THR 85 Ca -0.03 0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 60.51 1t2m s THR 85 Cb -0.13 -4.07 -0.02 0.00 1.34 0.00 0.00 72.50 69.63 1t2m s THR 85 CO -0.03 -0.40 -0.02 -0.76 -0.54 0.00 0.00 174.62 172.87 1t2m s LEU 86 N 2.47 3.10 -0.67 4.79 1.02 -0.18 -0.33 118.68 128.88 1t2m s LEU 86 Ca 0.18 -0.28 -0.20 0.00 0.02 0.00 0.00 54.13 53.85 1t2m s LEU 86 Cb -0.15 -1.79 0.10 0.00 0.02 0.00 0.00 46.19 44.37 1t2m s LEU 86 CO 0.15 0.03 0.87 -0.70 0.02 0.00 0.00 176.35 176.73 1t2m s GLU 87 N 1.17 3.16 0.44 1.70 2.12 0.77 -1.19 118.70 126.87 1t2m s GLU 87 Ca 0.03 -1.21 0.08 0.00 0.36 0.00 0.00 54.97 54.23 1t2m s GLU 87 Cb -0.14 -4.34 0.01 0.00 0.26 0.00 0.00 34.13 29.92 1t2m s GLU 87 CO 0.00 -1.68 0.54 0.14 -0.54 0.00 0.00 175.26 173.72 1t2m s VAL 88 N 3.20 2.74 -0.07 3.70 -7.23 -0.05 -2.01 120.40 120.67 1t2m s VAL 88 Ca 0.19 -1.11 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 1t2m s VAL 88 Cb -0.18 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.91 1t2m s VAL 88 CO 0.05 0.00 -0.17 0.00 -0.31 0.00 0.00 175.10 174.68 1t2m s ALA 89 N -2.44 1.57 -0.82 1.32 0.00 0.19 -1.42 121.76 120.16 1t2m s ALA 89 Ca 0.53 -0.64 -0.25 0.00 0.00 0.00 0.00 51.96 51.60 1t2m s ALA 89 Cb -0.07 -0.61 -0.07 0.00 0.00 0.00 0.00 23.12 22.36 1t2m s ALA 89 CO 0.32 0.21 2.11 0.15 0.00 0.00 0.00 175.76 178.54 1t2m s LYS 90 N 0.40 2.24 0.00 0.00 -0.14 -1.14 -2.66 119.74 118.44 1t2m s LYS 90 Ca -0.13 0.13 0.00 0.00 -1.36 0.00 0.00 55.97 54.62 1t2m s LYS 90 Cb -0.15 -4.88 0.00 0.00 -1.68 0.00 0.00 37.83 31.11 1t2m s LYS 90 CO 0.05 -3.64 0.00 0.94 -0.76 0.00 0.00 175.35 171.93 1t2m n GLN 91 N 8.89 2.48 0.00 1.68 7.27 -1.26 -4.39 117.38 132.04 1t2m n GLN 91 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.47 1t2m n GLN 91 Cb 0.47 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.12 1t2m n GLN 91 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1t2m n GLY 92 N 5.00 3.53 3.73 1.69 0.00 -0.67 -4.75 105.19 113.72 1t2m n GLY 92 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32