#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 0.36 -0.19 2.12 2.36 -1.26 -5.05 119.74 118.08 1t2m s LYS 2 Ca 0.00 0.78 -0.09 0.00 -2.55 0.00 0.00 55.97 54.10 1t2m s LYS 2 Cb 0.00 -0.01 0.04 0.00 -1.05 0.00 0.00 37.83 36.80 1t2m s LYS 2 CO 0.00 -0.17 0.19 0.39 1.55 0.00 0.00 175.35 177.31 1t2m n GLU 3 N 4.35 -4.03 -0.18 4.03 -0.58 -1.26 -5.01 120.64 117.96 1t2m n GLU 3 Ca -0.22 3.10 -0.25 0.00 -0.42 0.00 0.00 57.16 59.37 1t2m n GLU 3 Cb 0.54 -4.78 0.24 0.00 -0.57 0.00 0.00 31.44 26.88 1t2m n GLU 3 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1t2m n PRO 4 N 1.38 -4.42 -3.18 3.49 -0.02 -1.26 -4.93 135.00 126.06 1t2m n PRO 4 Ca -0.32 -1.21 -0.46 0.00 -2.02 0.00 0.00 63.50 59.50 1t2m n PRO 4 Cb 0.49 -1.58 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 1t2m n PRO 4 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1t2m s GLU 5 N -4.72 3.44 -0.14 -0.52 2.12 -1.26 -4.99 118.70 112.63 1t2m s GLU 5 Ca 0.55 -2.00 -0.18 0.00 0.36 0.00 0.00 54.97 53.70 1t2m s GLU 5 Cb -0.10 -4.51 -0.04 0.00 0.26 0.00 0.00 34.13 29.74 1t2m s GLU 5 CO 0.47 -1.46 0.50 0.42 -0.54 0.00 0.00 175.26 174.64 1t2m s ILE 6 N 1.41 5.15 0.01 -3.70 1.09 -1.26 -1.56 121.20 122.34 1t2m s ILE 6 Ca 0.19 0.98 0.00 0.00 -1.10 0.00 0.00 60.65 60.72 1t2m s ILE 6 Cb -0.13 -3.84 -0.01 0.00 -1.06 0.00 0.00 42.46 37.42 1t2m s ILE 6 CO -0.05 0.27 -0.02 0.27 -0.10 0.00 0.00 174.94 175.31 1t2m s ILE 7 N 0.98 0.10 -0.39 2.92 -4.36 0.22 -4.99 121.20 115.68 1t2m s ILE 7 Ca 0.26 -0.36 -0.16 0.00 -0.26 0.00 0.00 60.65 60.13 1t2m s ILE 7 Cb -0.15 -0.15 0.01 0.00 1.25 0.00 0.00 42.46 43.42 1t2m s ILE 7 CO 0.10 -0.16 0.35 -0.89 0.24 0.00 0.00 174.94 174.58 1t2m s THR 8 N -0.54 5.18 -0.01 8.37 2.01 -1.26 -1.10 115.64 128.29 1t2m s THR 8 Ca -0.05 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1t2m s THR 8 Cb -0.04 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1t2m s THR 8 CO -0.00 -0.27 0.01 0.68 -0.69 0.00 0.00 174.62 174.35 1t2m s VAL 9 N 1.91 4.23 -0.05 3.82 -7.23 -0.71 -4.92 120.40 117.45 1t2m s VAL 9 Ca 0.09 -0.53 -0.05 0.00 -1.81 0.00 0.00 61.98 59.68 1t2m s VAL 9 Cb -0.18 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 1t2m s VAL 9 CO 0.12 0.41 0.19 -0.89 -0.31 0.00 0.00 175.10 174.61 1t2m s THR 10 N -1.06 5.43 0.19 5.32 2.01 -1.26 -0.54 115.64 125.73 1t2m s THR 10 Ca 0.19 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.18 1t2m s THR 10 Cb -0.12 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 1t2m s THR 10 CO 0.09 0.45 0.26 -0.22 -0.69 0.00 0.00 174.62 174.51 1t2m s LEU 11 N -1.55 0.96 -0.04 4.42 2.96 0.13 -4.98 118.68 120.58 1t2m s LEU 11 Ca 0.23 -1.07 0.06 0.00 -0.22 0.00 0.00 54.13 53.13 1t2m s LEU 11 Cb -0.13 0.99 -0.02 0.00 0.50 0.00 0.00 46.19 47.54 1t2m s LEU 11 CO 0.13 -0.92 -0.24 -0.75 -1.32 0.00 0.00 176.35 173.25 1t2m s LYS 12 N -4.04 2.37 -0.52 1.98 2.47 -1.26 -0.45 119.74 120.29 1t2m s LYS 12 Ca 0.25 -0.88 -0.26 0.00 -1.56 0.00 0.00 55.97 53.52 1t2m s LYS 12 Cb 0.04 -2.15 -0.05 0.00 -1.46 0.00 0.00 37.83 34.21 1t2m s LYS 12 CO 0.06 0.49 2.17 0.15 0.16 0.00 0.00 175.35 178.38 1t2m s LYS 13 N -0.42 2.37 -1.14 4.03 1.02 -0.38 -4.82 119.74 120.41 1t2m s LYS 13 Ca 0.04 1.12 -0.07 0.00 0.02 0.00 0.00 55.97 57.08 1t2m s LYS 13 Cb -0.12 -4.49 0.26 0.00 -0.52 0.00 0.00 37.83 32.97 1t2m s LYS 13 CO 0.01 -2.99 1.45 0.94 -0.92 0.00 0.00 175.35 173.85 1t2m n GLN 14 N 9.05 3.99 -3.33 1.68 -0.06 -1.26 -4.62 117.38 122.84 1t2m n GLN 14 Ca 0.30 -4.29 -0.24 0.00 -2.00 0.00 0.00 57.00 50.77 1t2m n GLN 14 Cb 0.53 -2.64 0.03 0.00 -4.06 0.00 0.00 30.24 24.10 1t2m n GLN 14 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1t2m n ASN 15 N 2.51 -5.46 0.00 1.69 4.05 -1.26 -4.71 115.26 112.08 1t2m n ASN 15 Ca 0.29 -0.43 0.00 0.00 0.45 0.00 0.00 54.58 54.89 1t2m n ASN 15 Cb 0.36 -4.40 0.00 0.00 1.23 0.00 0.00 39.78 36.97 1t2m n ASN 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1t2m n GLY 16 N -1.56 0.76 1.39 8.20 0.00 -1.26 -5.01 105.19 107.71 1t2m n GLY 16 Ca -0.05 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 0.00 0.00 -2.04 1.61 2.81 -1.26 -4.75 117.12 113.49 1t2m n MET 17 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.86 1t2m n MET 17 Cb 0.00 -0.32 0.02 0.00 -0.71 0.00 0.00 33.22 32.21 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 2.74 0.41 2.92 3.03 0.00 -1.26 -4.11 105.19 108.91 1t2m n GLY 18 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.19 -0.21 -0.71 0.99 1.02 -1.26 0.18 118.68 115.50 1t2m s LEU 19 Ca 0.05 0.39 -0.27 0.00 0.02 0.00 0.00 54.13 54.32 1t2m s LEU 19 Cb -0.01 0.53 0.03 0.00 0.02 0.00 0.00 46.19 46.76 1t2m s LEU 19 CO 0.14 -0.25 1.24 -0.44 0.02 0.00 0.00 176.35 177.06 1t2m s SER 20 N 2.37 6.20 0.50 2.29 0.01 0.36 -4.98 113.70 120.44 1t2m s SER 20 Ca 0.03 -0.43 0.09 0.00 1.31 0.00 0.00 55.95 56.94 1t2m s SER 20 Cb -0.13 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.61 1t2m s SER 20 CO -0.08 -1.76 0.67 0.27 0.41 0.00 0.00 173.24 172.75 1t2m s ILE 21 N 5.49 2.50 -0.24 1.44 -4.36 -1.26 -0.73 121.20 124.03 1t2m s ILE 21 Ca 0.35 -1.03 -0.19 0.00 -0.26 0.00 0.00 60.65 59.51 1t2m s ILE 21 Cb -0.09 -2.53 0.07 0.00 1.25 0.00 0.00 42.46 41.16 1t2m s ILE 21 CO 0.16 0.00 0.63 0.54 0.24 0.00 0.00 174.94 176.51 1t2m s VAL 22 N -2.53 -0.00 -0.77 8.37 0.11 -0.29 -4.84 120.40 120.43 1t2m s VAL 22 Ca 0.57 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.53 1t2m s VAL 22 Cb -0.07 -0.89 0.20 0.00 -1.53 0.00 0.00 36.38 34.09 1t2m s VAL 22 CO 0.35 0.00 0.67 0.00 -3.33 0.00 0.00 175.10 172.80 1t2m s ALA 23 N 0.85 3.95 0.42 1.54 0.00 -1.26 -0.38 121.76 126.88 1t2m s ALA 23 Ca -0.04 -3.33 0.04 0.00 0.00 0.00 0.00 51.96 48.62 1t2m s ALA 23 Cb -0.05 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1t2m s ALA 23 CO -0.07 -2.23 0.13 0.00 0.00 0.00 0.00 175.76 173.59 1t2m s ALA 24 N 0.02 3.03 0.55 0.00 0.00 -0.97 -4.55 121.76 119.84 1t2m s ALA 24 Ca 0.18 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 1t2m s ALA 24 Cb -0.13 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.73 1t2m s ALA 24 CO -0.07 -0.32 0.80 0.21 0.00 0.00 0.00 175.76 176.37 1t2m s LYS 25 N -3.70 2.65 0.00 0.00 2.20 -1.26 -2.18 119.74 117.45 1t2m s LYS 25 Ca 0.22 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 1t2m s LYS 25 Cb 0.02 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 1t2m s LYS 25 CO 0.14 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 1t2m n GLY 26 N -2.39 4.48 3.67 5.54 0.00 -1.26 -4.98 105.19 110.24 1t2m n GLY 26 Ca 0.06 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.43 3.24 -1.81 4.61 0.00 -1.26 -4.43 121.76 120.68 1t2m s ALA 27 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1t2m s ALA 27 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.03 1t2m s ALA 27 CO 0.00 0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1t2m n GLY 28 N 0.26 1.63 2.75 0.00 0.00 -1.26 -4.91 105.19 103.66 1t2m n GLY 28 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.43 0.21 -0.22 1.61 -0.44 -1.26 -5.01 119.66 111.11 1t2m s GLN 29 Ca 0.00 0.18 0.06 0.00 -2.50 0.00 0.00 55.36 53.10 1t2m s GLN 29 Cb 0.00 -1.15 0.48 0.00 -1.64 0.00 0.00 33.01 30.70 1t2m s GLN 29 CO 0.00 -0.69 1.45 -3.47 0.50 0.00 0.00 175.29 173.08 1t2m n ASP 30 N 5.32 3.76 0.00 6.67 -0.08 -1.26 -4.11 116.55 126.85 1t2m n ASP 30 Ca -0.05 -2.81 0.00 0.00 -1.51 0.00 0.00 54.79 50.41 1t2m n ASP 30 Cb 0.49 -0.67 0.00 0.00 2.34 0.00 0.00 41.12 43.28 1t2m n ASP 30 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1t2m n LYS 31 N -0.08 3.20 -3.73 -0.67 4.76 -1.26 -5.05 118.16 115.33 1t2m n LYS 31 Ca 0.28 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.44 1t2m n LYS 31 Cb 1.06 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 34.08 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 1.20 0.32 -0.35 2.96 -1.26 -4.42 118.68 117.13 1t2m s LEU 32 Ca 0.00 -0.86 0.07 0.00 -0.22 0.00 0.00 54.13 53.12 1t2m s LEU 32 Cb 0.00 -0.60 -0.02 0.00 0.50 0.00 0.00 46.19 46.07 1t2m s LEU 32 CO 0.00 -0.31 0.35 -0.83 -1.32 0.00 0.00 176.35 174.24 1t2m s GLY 33 N 1.86 1.65 0.00 7.98 0.00 -0.93 -1.73 107.32 116.15 1t2m s GLY 33 Ca -0.00 -1.54 -0.17 0.00 0.00 0.00 0.00 44.72 43.01 1t2m s GLY 33 CO -0.09 -1.47 0.47 -0.42 0.00 0.00 0.00 173.10 171.58 1t2m s ILE 34 N -2.22 4.97 -0.02 0.90 -1.09 -0.96 -2.30 121.20 120.48 1t2m s ILE 34 Ca 0.41 0.97 0.04 0.00 -2.23 0.00 0.00 60.65 59.84 1t2m s ILE 34 Cb -0.07 -3.79 -0.01 0.00 -1.58 0.00 0.00 42.46 37.01 1t2m s ILE 34 CO 0.28 0.53 -0.12 -0.31 -1.23 0.00 0.00 174.94 174.09 1t2m s TYR 35 N -0.81 1.17 -0.66 3.97 2.02 0.49 0.78 117.35 124.30 1t2m s TYR 35 Ca 0.26 -0.25 -0.22 0.00 -0.37 0.00 0.00 57.07 56.48 1t2m s TYR 35 Cb -0.17 -0.78 0.07 0.00 -0.40 0.00 0.00 41.96 40.68 1t2m s TYR 35 CO 0.15 -0.06 0.96 0.08 -1.57 0.00 0.00 175.55 175.11 1t2m s VAL 36 N -0.14 4.34 0.12 0.71 1.01 0.17 -1.14 120.40 125.46 1t2m s VAL 36 Ca 0.02 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 1t2m s VAL 36 Cb -0.07 -4.68 -0.14 0.00 0.00 0.00 0.00 36.38 31.49 1t2m s VAL 36 CO 0.00 -1.46 1.35 0.11 0.00 0.00 0.00 175.10 175.10 1t2m h LYS 37 N 9.55 0.72 -2.90 2.72 1.57 -1.20 0.64 116.57 127.68 1t2m h LYS 37 Ca -0.28 -0.57 -0.00 0.00 -1.87 0.00 0.00 60.65 57.93 1t2m h LYS 37 Cb 1.07 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 33.37 1t2m h LYS 37 CO 1.18 1.19 0.25 0.45 -0.57 0.00 0.00 179.45 181.95 1t2m s SER 38 N -7.07 -0.54 -0.15 0.86 0.15 -1.15 -3.69 113.70 102.12 1t2m s SER 38 Ca -0.09 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1t2m s SER 38 Cb 0.09 0.57 0.03 0.00 -1.71 0.00 0.00 66.02 65.00 1t2m s SER 38 CO 0.89 -0.92 -0.12 -0.69 1.20 0.00 0.00 173.24 173.60 1t2m s VAL 39 N -3.66 1.45 0.26 4.45 1.01 -1.26 -0.49 120.40 122.16 1t2m s VAL 39 Ca 0.02 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1t2m s VAL 39 Cb -0.01 -1.40 -0.10 0.00 0.00 0.00 0.00 36.38 34.87 1t2m s VAL 39 CO -0.12 0.40 1.41 -0.69 0.00 0.00 0.00 175.10 176.09 1t2m s VAL 40 N 1.53 2.72 0.41 2.92 1.01 0.13 -4.96 120.40 124.16 1t2m s VAL 40 Ca 0.04 0.62 -0.24 0.00 0.00 0.00 0.00 61.98 62.40 1t2m s VAL 40 Cb -0.13 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 1t2m s VAL 40 CO -0.10 0.11 1.11 -0.54 0.00 0.00 0.00 175.10 175.68 1t2m s LYS 41 N -0.58 4.05 0.00 2.72 3.01 -1.26 -3.42 119.74 124.26 1t2m s LYS 41 Ca 0.57 1.68 0.00 0.00 -1.01 0.00 0.00 55.97 57.22 1t2m s LYS 41 Cb -0.41 -2.57 0.00 0.00 -1.01 0.00 0.00 37.83 33.84 1t2m s LYS 41 CO 0.44 -0.28 0.00 0.41 0.51 0.00 0.00 175.35 176.43 1t2m n GLY 42 N 0.49 1.98 0.00 -3.33 0.00 -1.26 -5.06 105.19 98.00 1t2m n GLY 42 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1t2m n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t2m n GLY 43 N -2.00 -2.13 0.13 -0.02 0.00 -1.22 -4.91 105.19 95.04 1t2m n GLY 43 Ca 0.00 -1.47 -0.20 0.00 0.00 0.00 0.00 46.02 44.35 1t2m n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t2m h ALA 44 N -2.00 0.33 -0.14 4.61 0.00 -1.86 -3.27 119.26 116.93 1t2m h ALA 44 Ca 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 54.91 53.53 1t2m h ALA 44 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1t2m h ALA 44 CO 0.00 1.19 -0.42 0.00 0.00 0.00 0.00 179.25 180.03 1t2m h ALA 45 N 0.26 0.24 -0.39 0.00 0.00 -1.92 -0.75 119.26 116.70 1t2m h ALA 45 Ca -0.34 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.06 1t2m h ALA 45 Cb 2.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.80 1t2m h ALA 45 CO 0.14 0.36 0.07 0.22 0.00 0.00 0.00 179.25 180.03 1t2m h ASP 46 N 0.16 0.54 0.26 0.00 3.58 -1.83 -1.52 116.42 117.61 1t2m h ASP 46 Ca -0.01 -0.09 -0.34 0.00 0.42 0.00 0.00 57.03 57.01 1t2m h ASP 46 Cb 1.04 -0.14 0.03 0.00 1.72 0.00 0.00 39.33 41.98 1t2m h ASP 46 CO 0.09 0.56 -1.56 0.58 -2.88 0.00 0.00 179.24 176.03 1t2m h VAL 47 N 0.57 1.18 -0.44 2.25 2.07 -1.60 -3.31 116.25 116.97 1t2m h VAL 47 Ca 0.13 -2.66 -0.03 0.00 0.82 0.00 0.00 66.70 64.96 1t2m h VAL 47 Cb 0.26 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 1t2m h VAL 47 CO 0.00 0.83 0.16 0.44 0.02 0.00 0.00 177.57 179.02 1t2m h ASP 48 N 0.13 0.57 -0.23 0.57 5.19 -0.98 -3.47 116.42 118.19 1t2m h ASP 48 Ca -0.28 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.05 1t2m h ASP 48 Cb 2.15 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 41.51 1t2m h ASP 48 CO 0.24 0.53 -0.02 0.61 -3.12 0.00 0.00 179.24 177.48 1t2m n GLY 49 N -1.13 0.40 0.14 2.75 0.00 -0.58 -4.97 105.19 101.79 1t2m n GLY 49 Ca 0.03 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.01 0.32 -4.43 1.61 2.47 -1.90 -3.49 114.38 108.95 1t2m h ARG 50 Ca -0.02 -0.54 -0.21 0.00 -1.26 0.00 0.00 59.98 57.95 1t2m h ARG 50 Cb 1.01 0.20 -0.14 0.00 -1.65 0.00 0.00 29.97 29.39 1t2m h ARG 50 CO 0.02 1.26 -0.55 -0.48 0.56 0.00 0.00 179.97 180.78 1t2m s LEU 51 N -7.33 1.10 0.00 3.04 0.05 -1.26 -5.07 118.68 109.21 1t2m s LEU 51 Ca -0.19 -1.29 0.00 0.00 0.05 0.00 0.00 54.13 52.70 1t2m s LEU 51 Cb 0.05 0.58 -0.00 0.00 -2.05 0.00 0.00 46.19 44.77 1t2m s LEU 51 CO 0.80 -0.87 0.03 0.00 -0.55 0.00 0.00 176.35 175.77 1t2m n ALA 52 N -0.26 0.03 -1.57 1.48 0.00 -1.26 -4.65 120.51 114.28 1t2m n ALA 52 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 53.44 52.96 1t2m n ALA 52 Cb 0.65 0.13 0.04 0.00 0.00 0.00 0.00 19.45 20.26 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 -1.95 2.55 -0.66 0.00 0.00 -1.26 -3.66 121.76 116.77 1t2m s ALA 53 Ca 0.03 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1t2m s ALA 53 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1t2m s ALA 53 CO 0.02 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.06 1t2m n GLY 54 N -0.59 0.49 3.95 0.00 0.00 0.22 -4.97 105.19 104.30 1t2m n GLY 54 Ca 0.10 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 1t2m n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t2m s ASP 55 N -2.81 5.14 0.30 1.61 2.15 -0.89 -3.63 116.67 118.54 1t2m s ASP 55 Ca 0.00 -0.77 0.08 0.00 0.43 0.00 0.00 52.55 52.29 1t2m s ASP 55 Cb 0.00 -0.26 -0.04 0.00 -0.30 0.00 0.00 42.92 42.32 1t2m s ASP 55 CO 0.00 -0.89 0.15 -1.58 -0.17 0.00 0.00 175.17 172.68 1t2m s GLN 56 N -4.32 2.58 -0.05 4.34 -0.44 -1.07 0.42 119.66 121.12 1t2m s GLN 56 Ca 0.50 -1.33 -0.02 0.00 -2.50 0.00 0.00 55.36 52.02 1t2m s GLN 56 Cb -0.05 -2.34 0.04 0.00 -1.64 0.00 0.00 33.01 29.01 1t2m s GLN 56 CO 0.30 0.25 0.09 -0.51 0.50 0.00 0.00 175.29 175.93 1t2m s LEU 57 N -3.83 0.53 0.01 3.68 1.43 0.23 -2.21 118.68 118.52 1t2m s LEU 57 Ca 0.35 0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.58 1t2m s LEU 57 Cb -0.06 0.08 -0.01 0.00 0.03 0.00 0.00 46.19 46.23 1t2m s LEU 57 CO 0.23 -0.19 -0.07 -0.11 0.23 0.00 0.00 176.35 176.44 1t2m n LEU 58 N 4.70 0.90 -4.53 1.79 7.94 -0.40 -2.25 117.00 125.14 1t2m n LEU 58 Ca -0.17 0.13 -0.31 0.00 -1.11 0.00 0.00 56.01 54.56 1t2m n LEU 58 Cb 0.50 -0.36 -0.11 0.00 0.53 0.00 0.00 43.42 43.98 1t2m n LEU 58 CO 0.13 -0.56 -0.44 -0.94 -1.11 0.00 0.00 177.39 174.47 1t2m s SER 59 N -5.51 4.19 -0.03 1.96 1.04 -1.24 -2.35 113.70 111.76 1t2m s SER 59 Ca -0.06 -0.36 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 1t2m s SER 59 Cb 0.01 -0.79 0.03 0.00 0.10 0.00 0.00 66.02 65.37 1t2m s SER 59 CO 0.09 0.23 0.04 -0.69 0.98 0.00 0.00 173.24 173.89 1t2m s VAL 60 N -1.06 -0.07 -1.46 5.02 1.01 -0.66 0.14 120.40 123.32 1t2m s VAL 60 Ca 0.18 0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 1t2m s VAL 60 Cb -0.11 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.17 1t2m s VAL 60 CO 0.09 0.13 0.86 -0.67 0.00 0.00 0.00 175.10 175.51 1t2m n ASP 61 N 4.64 -5.89 -1.28 3.32 2.03 0.10 -1.53 116.55 117.96 1t2m n ASP 61 Ca -0.18 -0.45 -0.12 0.00 0.52 0.00 0.00 54.79 54.57 1t2m n ASP 61 Cb 0.50 -4.71 -0.01 0.00 -0.72 0.00 0.00 41.12 36.18 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 -1.70 0.07 3.34 0.27 0.00 -1.25 -4.88 105.19 101.04 1t2m n GLY 62 Ca -0.04 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.37 1.30 -0.08 1.61 0.52 -0.58 -5.14 118.95 112.20 1t2m s ARG 63 Ca 0.00 -1.37 -0.14 0.00 -0.52 0.00 0.00 55.73 53.71 1t2m s ARG 63 Cb 0.00 -1.50 -0.05 0.00 0.52 0.00 0.00 34.95 33.92 1t2m s ARG 63 CO 0.00 0.32 0.33 -1.54 0.02 0.00 0.00 175.30 174.44 1t2m s SER 64 N -2.43 6.60 -0.26 0.23 1.04 -1.26 -1.66 113.70 115.96 1t2m s SER 64 Ca 0.14 0.72 0.13 0.00 0.48 0.00 0.00 55.95 57.42 1t2m s SER 64 Cb -0.08 -2.20 0.47 0.00 0.10 0.00 0.00 66.02 64.31 1t2m s SER 64 CO 0.07 0.23 1.17 0.18 0.98 0.00 0.00 173.24 175.86 1t2m n LEU 65 N 2.62 3.58 -4.33 2.42 4.77 -0.99 -4.98 117.00 120.09 1t2m n LEU 65 Ca -0.14 -4.05 -0.46 0.00 -0.03 0.00 0.00 56.01 51.34 1t2m n LEU 65 Cb 0.53 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1t2m n LEU 65 CO 0.38 1.66 0.34 -0.69 -1.33 0.00 0.00 177.39 177.75 1t2m s VAL 66 N -4.07 5.36 0.00 4.08 1.01 -1.26 -4.21 120.40 121.31 1t2m s VAL 66 Ca 0.42 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.46 1t2m s VAL 66 Cb 0.38 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1t2m s VAL 66 CO -0.00 -0.99 0.00 0.61 0.00 0.00 0.00 175.10 174.71 1t2m n GLY 67 N 4.64 1.62 3.65 4.51 0.00 -0.71 -4.74 105.19 114.15 1t2m n GLY 67 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 2.27 0.36 0.99 1.43 -1.21 -4.79 118.68 117.72 1t2m s LEU 68 Ca 0.00 -1.60 0.06 0.00 -1.03 0.00 0.00 54.13 51.55 1t2m s LEU 68 Cb 0.00 -0.54 -0.01 0.00 0.03 0.00 0.00 46.19 45.68 1t2m s LEU 68 CO 0.00 -0.81 0.51 -0.44 0.23 0.00 0.00 176.35 175.84 1t2m s SER 69 N -3.74 5.93 0.54 2.29 0.01 -1.26 -4.68 113.70 112.79 1t2m s SER 69 Ca 0.17 -0.12 0.21 0.00 1.31 0.00 0.00 55.95 57.52 1t2m s SER 69 Cb 0.03 -1.26 1.39 0.00 0.21 0.00 0.00 66.02 66.40 1t2m s SER 69 CO 0.09 -0.49 2.12 -0.61 0.41 0.00 0.00 173.24 174.76 1t2m h GLN 70 N 0.80 0.00 -0.22 12.44 4.15 -1.95 -0.77 115.11 129.56 1t2m h GLN 70 Ca -0.46 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 58.85 1t2m h GLN 70 Cb 1.26 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 1t2m h GLN 70 CO 0.53 0.00 -0.35 1.05 -1.93 0.00 0.00 178.83 178.13 1t2m h GLU 71 N 0.00 0.47 0.28 1.69 4.11 -1.98 -1.56 114.58 117.59 1t2m h GLU 71 Ca 0.06 -0.22 -0.01 0.00 0.07 0.00 0.00 59.36 59.26 1t2m h GLU 71 Cb 0.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1t2m h GLU 71 CO -0.00 0.76 -0.14 0.00 0.07 0.00 0.00 179.01 179.71 1t2m h ARG 72 N 0.40 -0.36 -0.86 1.06 -0.00 -1.53 0.00 114.38 113.09 1t2m h ARG 72 Ca 0.04 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.55 1t2m h ARG 72 Cb 0.81 0.08 -0.04 0.00 0.00 0.00 0.00 29.97 30.82 1t2m h ARG 72 CO 0.07 -0.03 0.54 0.00 0.00 0.00 0.00 179.97 180.55 1t2m h ALA 73 N -0.19 1.09 -0.65 0.04 0.00 -1.52 0.59 119.26 118.62 1t2m h ALA 73 Ca -0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1t2m h ALA 73 Cb 0.50 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1t2m h ALA 73 CO 0.06 0.53 0.06 0.00 0.00 0.00 0.00 179.25 179.90 1t2m h ALA 74 N 1.30 0.86 0.01 0.00 0.00 -1.30 -2.00 119.26 118.13 1t2m h ALA 74 Ca 0.31 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1t2m h ALA 74 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1t2m h ALA 74 CO -0.06 0.66 -0.91 1.49 0.00 0.00 0.00 179.25 180.44 1t2m h GLU 75 N 1.01 0.04 -0.38 0.00 4.57 -0.54 -3.23 114.58 116.05 1t2m h GLU 75 Ca 0.19 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.20 1t2m h GLU 75 Cb 0.49 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1t2m h GLU 75 CO 0.02 0.91 -0.25 -0.07 -1.18 0.00 0.00 179.01 178.44 1t2m h LEU 76 N 0.02 0.88 -0.45 1.64 3.38 0.34 -2.16 115.31 118.96 1t2m h LEU 76 Ca -0.02 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1t2m h LEU 76 Cb 1.59 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1t2m h LEU 76 CO 0.12 1.12 0.29 0.24 0.09 0.00 0.00 178.44 180.30 1t2m h MET 77 N 0.65 0.61 0.00 1.13 2.86 -1.44 -2.05 114.93 116.69 1t2m h MET 77 Ca 0.08 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1t2m h MET 77 Cb 0.82 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1t2m h MET 77 CO 0.07 0.43 -0.34 0.00 1.06 0.00 0.00 176.91 178.12 1t2m h THR 78 N 0.61 1.22 -0.74 2.22 1.03 -1.57 -3.13 112.91 112.54 1t2m h THR 78 Ca 0.16 -1.18 -0.42 0.00 -0.01 0.00 0.00 66.41 64.97 1t2m h THR 78 Cb -0.04 1.64 -0.14 0.00 -1.07 0.00 0.00 68.15 68.54 1t2m h THR 78 CO -0.03 0.33 0.25 0.54 -0.01 0.00 0.00 175.52 176.60 1t2m n ARG 79 N -4.10 2.35 -4.53 0.00 1.74 -0.77 -4.90 116.66 106.46 1t2m n ARG 79 Ca -0.02 -1.98 -0.25 0.00 -0.77 0.00 0.00 57.85 54.84 1t2m n ARG 79 Cb 0.38 -2.12 -0.10 0.00 -1.02 0.00 0.00 32.46 29.60 1t2m n ARG 79 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1t2m s THR 80 N -1.22 1.25 0.11 0.55 -4.23 -1.19 -4.95 115.64 105.96 1t2m s THR 80 Ca 0.61 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1t2m s THR 80 Cb 0.36 -2.70 0.02 0.00 1.34 0.00 0.00 72.50 71.52 1t2m s THR 80 CO -0.15 0.00 0.15 -1.54 -0.54 0.00 0.00 174.62 172.54 1t2m n SER 81 N -0.90 0.10 -0.23 3.99 3.41 -1.26 -4.95 113.62 113.77 1t2m n SER 81 Ca -0.05 -1.11 0.10 0.00 -0.26 0.00 0.00 58.87 57.55 1t2m n SER 81 Cb 0.66 -0.11 0.37 0.00 -0.26 0.00 0.00 64.21 64.88 1t2m n SER 81 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1t2m h SER 82 N -0.14 0.65 -3.43 4.04 0.02 -1.97 -3.41 113.55 109.31 1t2m h SER 82 Ca -0.05 0.03 -0.68 0.00 -0.84 0.00 0.00 61.79 60.24 1t2m h SER 82 Cb 0.16 -0.11 -0.16 0.00 0.14 0.00 0.00 62.40 62.43 1t2m h SER 82 CO 0.04 0.36 -0.64 -0.69 -1.14 0.00 0.00 176.83 174.76 1t2m s VAL 83 N -5.66 4.12 -0.01 2.27 1.01 -1.26 -1.24 120.40 119.63 1t2m s VAL 83 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1t2m s VAL 83 Cb 0.21 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.88 1t2m s VAL 83 CO 0.78 0.60 -0.00 -0.69 0.00 0.00 0.00 175.10 175.79 1t2m s VAL 84 N -0.85 0.06 -0.32 2.92 1.01 0.40 -4.98 120.40 118.64 1t2m s VAL 84 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1t2m s VAL 84 Cb -0.11 -0.09 0.05 0.00 0.00 0.00 0.00 36.38 36.23 1t2m s VAL 84 CO 0.02 0.04 0.04 -0.89 0.00 0.00 0.00 175.10 174.31 1t2m s THR 85 N 0.20 3.30 -0.23 3.92 2.01 -1.26 0.17 115.64 123.75 1t2m s THR 85 Ca -0.02 -1.31 -0.07 0.00 0.31 0.00 0.00 61.69 60.60 1t2m s THR 85 Cb -0.03 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1t2m s THR 85 CO -0.01 -0.15 0.07 -0.76 -0.69 0.00 0.00 174.62 173.09 1t2m s LEU 86 N 1.31 3.55 -0.49 4.42 1.02 0.30 0.03 118.68 128.82 1t2m s LEU 86 Ca -0.04 -0.13 -0.20 0.00 0.02 0.00 0.00 54.13 53.79 1t2m s LEU 86 Cb -0.20 -1.94 0.05 0.00 0.02 0.00 0.00 46.19 44.12 1t2m s LEU 86 CO 0.00 0.02 0.66 -0.70 0.02 0.00 0.00 176.35 176.35 1t2m s GLU 87 N 1.31 3.18 0.44 1.70 2.12 0.12 -1.73 118.70 125.83 1t2m s GLU 87 Ca 0.05 -0.70 0.07 0.00 0.36 0.00 0.00 54.97 54.75 1t2m s GLU 87 Cb -0.15 -4.05 -0.02 0.00 0.26 0.00 0.00 34.13 30.17 1t2m s GLU 87 CO 0.04 -1.19 0.32 0.14 -0.54 0.00 0.00 175.26 174.03 1t2m s VAL 88 N 2.80 2.38 -0.09 3.70 -7.23 -0.26 -1.28 120.40 120.42 1t2m s VAL 88 Ca 0.18 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 58.90 1t2m s VAL 88 Cb -0.17 -2.86 0.01 0.00 0.56 0.00 0.00 36.38 33.92 1t2m s VAL 88 CO 0.14 0.00 -0.17 0.00 -0.31 0.00 0.00 175.10 174.76 1t2m s ALA 89 N -2.56 1.69 -1.04 1.32 0.00 -0.94 -0.61 121.76 119.62 1t2m s ALA 89 Ca 0.44 -0.69 -0.25 0.00 0.00 0.00 0.00 51.96 51.46 1t2m s ALA 89 Cb -0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 23.12 22.28 1t2m s ALA 89 CO 0.25 0.13 2.05 0.15 0.00 0.00 0.00 175.76 178.34 1t2m s LYS 90 N 0.62 2.06 0.32 0.00 3.01 -0.60 -2.59 119.74 122.56 1t2m s LYS 90 Ca -0.14 -0.55 0.10 0.00 -1.01 0.00 0.00 55.97 54.37 1t2m s LYS 90 Cb -0.16 -5.07 -0.06 0.00 -1.01 0.00 0.00 37.83 31.53 1t2m s LYS 90 CO 0.04 -4.28 -0.09 -1.14 0.51 0.00 0.00 175.35 170.39 1t2m s GLN 91 N 7.42 1.89 0.00 1.68 0.74 -1.26 -4.57 119.66 125.55 1t2m s GLN 91 Ca 0.75 -1.79 0.00 0.00 0.05 0.00 0.00 55.36 54.37 1t2m s GLN 91 Cb -0.05 -1.82 0.00 0.00 1.10 0.00 0.00 33.01 32.24 1t2m s GLN 91 CO 0.10 0.22 0.00 0.41 -0.55 0.00 0.00 175.29 175.47 1t2m n GLY 92 N -0.79 2.08 0.51 2.59 0.00 -1.24 -4.29 105.19 104.05 1t2m n GLY 92 Ca -0.05 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32