#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t2m n LYS 2 N 0.00 0.00 -3.19 0.03 4.81 -1.26 -5.05 118.16 113.50 1t2m n LYS 2 Ca 0.00 -1.05 -0.16 0.00 -0.87 0.00 0.00 58.31 56.22 1t2m n LYS 2 Cb 0.00 0.46 -0.06 0.00 0.02 0.00 0.00 35.03 35.45 1t2m n LYS 2 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1t2m s GLU 3 N 0.00 0.88 0.99 1.64 2.02 -1.26 -5.16 118.70 117.81 1t2m s GLU 3 Ca 0.02 -1.39 -0.12 0.00 0.02 0.00 0.00 54.97 53.50 1t2m s GLU 3 Cb 0.03 -0.76 0.18 0.00 0.10 0.00 0.00 34.13 33.67 1t2m s GLU 3 CO -0.01 -1.31 1.10 -1.25 0.02 0.00 0.00 175.26 173.81 1t2m s PRO 4 N 0.75 0.51 -0.64 0.39 0.04 -1.26 -5.01 135.00 129.78 1t2m s PRO 4 Ca 0.27 0.49 -0.09 0.00 0.04 0.00 0.00 61.00 61.71 1t2m s PRO 4 Cb -0.03 -1.75 0.16 0.00 0.04 0.00 0.00 34.50 32.92 1t2m s PRO 4 CO -0.10 -2.67 0.52 -2.00 0.04 0.00 0.00 177.00 172.79 1t2m s GLU 5 N -5.00 2.90 -0.25 4.56 2.12 -1.25 -5.01 118.70 116.78 1t2m s GLU 5 Ca 0.65 -2.21 -0.14 0.00 0.36 0.00 0.00 54.97 53.63 1t2m s GLU 5 Cb -0.18 -4.06 -0.04 0.00 0.26 0.00 0.00 34.13 30.11 1t2m s GLU 5 CO 0.57 -1.23 0.31 0.42 -0.54 0.00 0.00 175.26 174.79 1t2m s ILE 6 N 0.57 5.24 0.09 -3.70 1.09 -1.26 -0.49 121.20 122.74 1t2m s ILE 6 Ca 0.13 0.47 0.07 0.00 -1.10 0.00 0.00 60.65 60.21 1t2m s ILE 6 Cb -0.20 -3.64 -0.03 0.00 -1.06 0.00 0.00 42.46 37.53 1t2m s ILE 6 CO -0.04 0.23 -0.18 0.27 -0.10 0.00 0.00 174.94 175.12 1t2m s ILE 7 N 1.62 1.50 -0.24 2.92 -4.36 0.71 -4.98 121.20 118.35 1t2m s ILE 7 Ca 0.13 -1.48 -0.21 0.00 -0.26 0.00 0.00 60.65 58.83 1t2m s ILE 7 Cb -0.15 -1.40 -0.02 0.00 1.25 0.00 0.00 42.46 42.14 1t2m s ILE 7 CO 0.08 -0.14 0.66 -0.89 0.24 0.00 0.00 174.94 174.89 1t2m s THR 8 N -1.27 4.97 -0.07 8.37 2.01 -1.26 -0.68 115.64 127.71 1t2m s THR 8 Ca 0.04 1.20 0.01 0.00 0.31 0.00 0.00 61.69 63.25 1t2m s THR 8 Cb -0.10 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1t2m s THR 8 CO 0.04 0.03 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.22 1t2m s VAL 9 N 2.44 3.57 -0.32 3.82 1.01 -0.54 -4.94 120.40 125.44 1t2m s VAL 9 Ca 0.28 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1t2m s VAL 9 Cb -0.16 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.83 1t2m s VAL 9 CO 0.09 0.59 0.03 -0.89 0.00 0.00 0.00 175.10 174.92 1t2m s THR 10 N -0.66 2.91 0.33 3.92 2.01 -1.26 -0.35 115.64 122.54 1t2m s THR 10 Ca 0.10 -1.62 0.07 0.00 0.31 0.00 0.00 61.69 60.54 1t2m s THR 10 Cb -0.11 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 1t2m s THR 10 CO 0.02 -0.26 0.44 -0.76 -0.69 0.00 0.00 174.62 173.37 1t2m s LEU 11 N 1.19 3.95 -0.16 4.42 1.43 0.40 -4.90 118.68 125.00 1t2m s LEU 11 Ca -0.01 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 1t2m s LEU 11 Cb -0.20 -2.70 0.06 0.00 0.03 0.00 0.00 46.19 43.37 1t2m s LEU 11 CO -0.03 -0.41 0.07 -0.54 0.23 0.00 0.00 176.35 175.68 1t2m s LYS 12 N -4.14 0.20 -0.47 1.70 3.01 -1.26 -0.42 119.74 118.36 1t2m s LYS 12 Ca 0.44 -0.12 -0.28 0.00 -1.01 0.00 0.00 55.97 55.00 1t2m s LYS 12 Cb -0.09 -1.77 -0.09 0.00 -1.01 0.00 0.00 37.83 34.87 1t2m s LYS 12 CO 0.30 -0.63 2.38 0.36 0.51 0.00 0.00 175.35 178.27 1t2m n LYS 13 N 5.22 1.13 -0.08 1.68 2.85 -0.72 -4.69 118.16 123.56 1t2m n LYS 13 Ca -0.07 0.16 -0.13 0.00 -1.05 0.00 0.00 58.31 57.21 1t2m n LYS 13 Cb 0.49 -3.03 -0.09 0.00 -0.65 0.00 0.00 35.03 31.75 1t2m n LYS 13 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1t2m h GLN 14 N 16.67 0.00 -0.20 -1.58 5.75 -1.95 -3.44 115.11 130.36 1t2m h GLN 14 Ca -0.26 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.04 1t2m h GLN 14 Cb 1.28 0.00 -0.28 0.00 1.07 0.00 0.00 27.48 29.55 1t2m h GLN 14 CO 1.12 0.69 -0.71 -1.71 -2.65 0.00 0.00 178.83 175.57 1t2m n ASN 15 N -4.58 0.11 0.00 -0.69 2.85 -1.26 -5.10 115.26 106.59 1t2m n ASN 15 Ca -0.16 -2.10 0.00 0.00 -0.11 0.00 0.00 54.58 52.21 1t2m n ASN 15 Cb 0.44 0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.53 1t2m n ASN 15 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1t2m n GLY 16 N -0.90 0.42 2.49 8.20 0.00 -1.26 -4.97 105.19 109.17 1t2m n GLY 16 Ca -0.06 -2.25 -0.27 0.00 0.00 0.00 0.00 46.02 43.45 1t2m n GLY 16 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1t2m s MET 17 N -0.42 1.21 -1.25 1.61 -1.94 -1.26 -4.34 119.30 112.91 1t2m s MET 17 Ca 0.00 -2.35 -0.17 0.00 -1.71 0.00 0.00 55.69 51.46 1t2m s MET 17 Cb 0.00 -1.81 0.09 0.00 2.01 0.00 0.00 34.83 35.12 1t2m s MET 17 CO 0.00 -1.37 1.64 0.20 -0.01 0.00 0.00 175.02 175.48 1t2m s GLY 18 N -0.23 1.81 -0.18 -0.03 0.00 -1.26 -4.90 107.32 102.53 1t2m s GLY 18 Ca 0.31 -2.98 -0.16 0.00 0.00 0.00 0.00 44.72 41.89 1t2m s GLY 18 CO -0.19 2.55 0.48 0.48 0.00 0.00 0.00 173.10 176.42 1t2m s LEU 19 N 3.60 0.12 -0.15 0.66 0.05 -1.26 0.28 118.68 121.98 1t2m s LEU 19 Ca 0.50 0.97 -0.08 0.00 0.05 0.00 0.00 54.13 55.58 1t2m s LEU 19 Cb 0.02 1.64 -0.04 0.00 -2.05 0.00 0.00 46.19 45.76 1t2m s LEU 19 CO 0.05 -0.17 0.12 -0.44 -0.55 0.00 0.00 176.35 175.36 1t2m s SER 20 N 0.36 6.21 0.44 1.48 0.01 0.22 -4.98 113.70 117.45 1t2m s SER 20 Ca -0.01 0.34 0.03 0.00 1.31 0.00 0.00 55.95 57.62 1t2m s SER 20 Cb -0.04 -2.04 -0.02 0.00 0.21 0.00 0.00 66.02 64.13 1t2m s SER 20 CO -0.01 0.31 0.09 0.27 0.41 0.00 0.00 173.24 174.31 1t2m s ILE 21 N -0.41 0.78 0.24 1.44 -5.25 -1.26 -0.71 121.20 116.04 1t2m s ILE 21 Ca 0.11 -2.00 0.03 0.00 -0.99 0.00 0.00 60.65 57.80 1t2m s ILE 21 Cb -0.12 -2.29 -0.05 0.00 2.95 0.00 0.00 42.46 42.95 1t2m s ILE 21 CO 0.01 0.00 0.03 -0.69 -1.79 0.00 0.00 174.94 172.50 1t2m s VAL 22 N -3.09 0.90 -0.43 8.37 1.01 0.83 -4.70 120.40 123.28 1t2m s VAL 22 Ca 0.18 -2.02 0.05 0.00 0.00 0.00 0.00 61.98 60.19 1t2m s VAL 22 Cb 0.02 -2.44 0.17 0.00 0.00 0.00 0.00 36.38 34.13 1t2m s VAL 22 CO 0.11 -0.23 0.43 0.00 0.00 0.00 0.00 175.10 175.42 1t2m s ALA 23 N -3.51 0.40 0.34 5.51 0.00 -1.26 -2.14 121.76 121.11 1t2m s ALA 23 Ca 0.31 -1.85 -0.03 0.00 0.00 0.00 0.00 51.96 50.40 1t2m s ALA 23 Cb 0.07 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.30 1t2m s ALA 23 CO 0.10 -2.05 0.50 0.00 0.00 0.00 0.00 175.76 174.31 1t2m n ALA 24 N 2.98 -0.43 -1.90 0.00 0.00 -1.10 -4.61 120.51 115.45 1t2m n ALA 24 Ca 0.25 -1.55 -0.29 0.00 0.00 0.00 0.00 53.44 51.85 1t2m n ALA 24 Cb 0.49 1.25 0.12 0.00 0.00 0.00 0.00 19.45 21.31 1t2m n ALA 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1t2m s LYS 25 N -2.73 1.59 0.00 0.00 2.20 -1.26 -2.21 119.74 117.34 1t2m s LYS 25 Ca 0.27 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 1t2m s LYS 25 Cb -0.01 -1.92 0.00 0.00 -1.51 0.00 0.00 37.83 34.39 1t2m s LYS 25 CO 0.20 -1.83 0.00 0.41 -0.36 0.00 0.00 175.35 173.77 1t2m n GLY 26 N -3.40 4.48 3.64 5.54 0.00 -1.26 -4.92 105.19 109.28 1t2m n GLY 26 Ca 0.10 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.44 3.16 -1.84 4.61 0.00 -1.26 -4.44 121.76 120.55 1t2m s ALA 27 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1t2m s ALA 27 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1t2m s ALA 27 CO 0.00 0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.78 1t2m n GLY 28 N 0.38 1.65 2.87 0.00 0.00 -1.26 -4.91 105.19 103.91 1t2m n GLY 28 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.45 0.22 -0.22 1.61 -0.44 -1.26 -5.02 119.66 111.10 1t2m s GLN 29 Ca 0.00 0.44 0.07 0.00 -2.50 0.00 0.00 55.36 53.37 1t2m s GLN 29 Cb 0.00 -0.69 0.52 0.00 -1.64 0.00 0.00 33.01 31.20 1t2m s GLN 29 CO 0.00 -0.55 1.46 -3.47 0.50 0.00 0.00 175.29 173.23 1t2m n ASP 30 N 5.34 3.95 0.00 6.67 -0.08 -1.26 -4.08 116.55 127.09 1t2m n ASP 30 Ca -0.05 -2.81 0.00 0.00 -1.51 0.00 0.00 54.79 50.42 1t2m n ASP 30 Cb 0.50 -0.67 0.00 0.00 2.34 0.00 0.00 41.12 43.29 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 0.02 3.13 -3.90 -0.67 4.76 -1.26 -5.08 118.16 115.15 1t2m n LYS 31 Ca 0.27 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.44 1t2m n LYS 31 Cb 1.05 0.00 -0.17 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 1.25 0.34 -0.35 2.96 -1.26 -4.34 118.68 117.28 1t2m s LEU 32 Ca 0.00 -0.37 0.09 0.00 -0.22 0.00 0.00 54.13 53.63 1t2m s LEU 32 Cb 0.00 -0.85 -0.05 0.00 0.50 0.00 0.00 46.19 45.79 1t2m s LEU 32 CO 0.00 -0.13 0.04 -0.83 -1.32 0.00 0.00 176.35 174.11 1t2m s GLY 33 N 1.70 2.02 -0.17 7.98 0.00 -0.94 -0.34 107.32 117.57 1t2m s GLY 33 Ca 0.04 -1.92 -0.10 0.00 0.00 0.00 0.00 44.72 42.75 1t2m s GLY 33 CO -0.08 -1.86 0.15 -0.42 0.00 0.00 0.00 173.10 170.89 1t2m s ILE 34 N -2.49 5.42 0.39 0.90 -1.09 -1.03 -2.71 121.20 120.59 1t2m s ILE 34 Ca 0.35 0.24 0.08 0.00 -2.23 0.00 0.00 60.65 59.09 1t2m s ILE 34 Cb -0.01 -3.47 -0.06 0.00 -1.58 0.00 0.00 42.46 37.34 1t2m s ILE 34 CO 0.20 0.49 0.06 -0.31 -1.23 0.00 0.00 174.94 174.16 1t2m s TYR 35 N -0.06 2.55 -0.34 3.97 1.51 -0.91 0.12 117.35 124.20 1t2m s TYR 35 Ca 0.11 -0.58 -0.05 0.00 -1.01 0.00 0.00 57.07 55.54 1t2m s TYR 35 Cb -0.12 -1.76 0.05 0.00 -0.11 0.00 0.00 41.96 40.03 1t2m s TYR 35 CO 0.00 0.37 0.09 0.08 -1.11 0.00 0.00 175.55 174.98 1t2m s VAL 36 N -2.62 3.53 0.07 0.71 1.01 0.89 -0.12 120.40 123.86 1t2m s VAL 36 Ca 0.37 -1.29 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1t2m s VAL 36 Cb 0.05 -3.05 -0.17 0.00 0.00 0.00 0.00 36.38 33.22 1t2m s VAL 36 CO 0.20 -0.21 1.26 0.11 0.00 0.00 0.00 175.10 176.46 1t2m h LYS 37 N 8.15 0.65 -1.37 2.72 1.57 -1.20 0.51 116.57 127.61 1t2m h LYS 37 Ca -0.22 -0.53 0.31 0.00 -1.87 0.00 0.00 60.65 58.35 1t2m h LYS 37 Cb 1.07 0.11 -0.15 0.00 0.08 0.00 0.00 32.23 33.34 1t2m h LYS 37 CO 0.60 1.15 0.86 0.45 -0.57 0.00 0.00 179.45 181.93 1t2m s SER 38 N -6.87 -0.07 -0.10 0.86 0.15 -1.16 -3.97 113.70 102.55 1t2m s SER 38 Ca -0.12 -0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.50 1t2m s SER 38 Cb 0.07 0.12 0.01 0.00 -1.71 0.00 0.00 66.02 64.51 1t2m s SER 38 CO 0.86 -0.22 -0.19 -0.69 1.20 0.00 0.00 173.24 174.21 1t2m s VAL 39 N -2.34 1.69 0.33 4.45 1.01 -1.26 -0.61 120.40 123.68 1t2m s VAL 39 Ca 0.13 -0.79 -0.23 0.00 0.00 0.00 0.00 61.98 61.09 1t2m s VAL 39 Cb 0.03 -1.50 -0.10 0.00 0.00 0.00 0.00 36.38 34.81 1t2m s VAL 39 CO -0.04 0.48 0.89 -0.69 0.00 0.00 0.00 175.10 175.74 1t2m s VAL 40 N 0.61 4.36 0.42 2.92 1.01 0.14 -4.98 120.40 124.88 1t2m s VAL 40 Ca -0.14 1.57 -0.25 0.00 0.00 0.00 0.00 61.98 63.16 1t2m s VAL 40 Cb -0.17 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 1t2m s VAL 40 CO 0.04 0.00 1.29 -0.75 0.00 0.00 0.00 175.10 175.69 1t2m s LYS 41 N -2.42 3.87 0.00 2.72 2.47 -1.26 -3.03 119.74 122.10 1t2m s LYS 41 Ca 0.52 2.12 0.00 0.00 -1.56 0.00 0.00 55.97 57.06 1t2m s LYS 41 Cb -0.15 -2.68 0.00 0.00 -1.46 0.00 0.00 37.83 33.54 1t2m s LYS 41 CO 0.20 -0.56 0.00 0.41 0.16 0.00 0.00 175.35 175.56 1t2m n GLY 42 N 0.65 3.00 3.74 5.54 0.00 -1.26 -5.00 105.19 111.86 1t2m n GLY 42 Ca 0.05 -0.22 -0.36 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 -2.39 2.78 0.37 -0.02 0.00 -1.17 -4.80 107.32 102.09 1t2m s GLY 43 Ca 0.00 1.12 0.12 0.00 0.00 0.00 0.00 44.72 45.96 1t2m s GLY 43 CO 0.00 1.53 1.84 0.00 0.00 0.00 0.00 173.10 176.47 1t2m h ALA 44 N 0.60 1.97 -0.18 3.20 0.00 -1.84 -1.45 119.26 121.55 1t2m h ALA 44 Ca -0.51 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1t2m h ALA 44 Cb 1.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1t2m h ALA 44 CO 0.54 -0.25 -0.02 0.00 0.00 0.00 0.00 179.25 179.51 1t2m h ALA 45 N 1.61 0.25 -0.98 0.00 0.00 -1.90 0.09 119.26 118.33 1t2m h ALA 45 Ca 0.49 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1t2m h ALA 45 Cb 0.96 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1t2m h ALA 45 CO -0.23 -0.01 0.65 0.22 0.00 0.00 0.00 179.25 179.87 1t2m h ASP 46 N 0.07 1.11 0.54 0.00 3.58 -1.55 -2.18 116.42 118.00 1t2m h ASP 46 Ca 0.05 -0.03 -0.16 0.00 0.42 0.00 0.00 57.03 57.31 1t2m h ASP 46 Cb 0.43 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1t2m h ASP 46 CO 0.01 0.80 -0.73 0.58 -2.88 0.00 0.00 179.24 177.03 1t2m h VAL 47 N 1.31 1.46 0.59 2.25 2.07 -1.24 -3.31 116.25 119.38 1t2m h VAL 47 Ca 0.36 -2.33 -0.03 0.00 0.82 0.00 0.00 66.70 65.52 1t2m h VAL 47 Cb -0.14 2.25 0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1t2m h VAL 47 CO -0.08 0.68 -0.28 -0.78 0.02 0.00 0.00 177.57 177.12 1t2m h ASP 48 N 0.10 -0.67 0.00 0.57 1.82 -0.36 -3.48 116.42 114.41 1t2m h ASP 48 Ca -0.02 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1t2m h ASP 48 Cb 1.29 0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.47 1t2m h ASP 48 CO 0.11 -0.45 0.00 0.61 -1.61 0.00 0.00 179.24 177.89 1t2m n GLY 49 N -1.33 0.70 0.13 -0.78 0.00 -0.96 -4.99 105.19 97.97 1t2m n GLY 49 Ca -0.13 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 1t2m n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t2m n ARG 50 N -1.13 0.62 -3.84 1.61 5.12 -1.26 -5.03 116.66 112.75 1t2m n ARG 50 Ca 0.00 0.23 -0.26 0.00 -1.93 0.00 0.00 57.85 55.90 1t2m n ARG 50 Cb 0.37 -1.52 -0.01 0.00 -1.16 0.00 0.00 32.46 30.14 1t2m n ARG 50 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 1t2m s LEU 51 N -7.14 2.76 0.35 0.55 2.34 -1.26 -5.13 118.68 111.15 1t2m s LEU 51 Ca -0.36 -1.20 -0.10 0.00 0.06 0.00 0.00 54.13 52.53 1t2m s LEU 51 Cb 0.12 -1.25 0.02 0.00 -0.56 0.00 0.00 46.19 44.52 1t2m s LEU 51 CO 0.55 -1.08 0.62 0.00 -1.06 0.00 0.00 176.35 175.37 1t2m s ALA 52 N -2.75 -0.02 0.63 1.48 0.00 -1.26 -4.96 121.76 114.88 1t2m s ALA 52 Ca 0.36 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 1t2m s ALA 52 Cb -0.02 0.94 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 1t2m s ALA 52 CO 0.22 -0.89 1.16 0.00 0.00 0.00 0.00 175.76 176.26 1t2m s ALA 53 N -2.86 2.45 -0.65 0.00 0.00 -1.26 -3.90 121.76 115.54 1t2m s ALA 53 Ca 0.23 0.81 -0.00 0.00 0.00 0.00 0.00 51.96 52.99 1t2m s ALA 53 Cb -0.03 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1t2m s ALA 53 CO 0.15 -1.29 0.54 0.41 0.00 0.00 0.00 175.76 175.57 1t2m n GLY 54 N 0.12 0.03 3.67 0.00 0.00 0.18 -4.98 105.19 104.20 1t2m n GLY 54 Ca 0.12 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.68 3.90 0.29 1.61 1.11 -1.06 -4.68 116.67 114.17 1t2m s ASP 55 Ca 0.03 -1.50 0.10 0.00 0.18 0.00 0.00 52.55 51.36 1t2m s ASP 55 Cb -0.01 0.02 -0.05 0.00 1.07 0.00 0.00 42.92 43.95 1t2m s ASP 55 CO 0.39 -0.64 -0.06 -1.58 1.18 0.00 0.00 175.17 174.47 1t2m s GLN 56 N -3.79 2.06 -0.07 8.23 -0.44 -1.07 -0.08 119.66 124.50 1t2m s GLN 56 Ca 0.23 -1.61 -0.03 0.00 -2.50 0.00 0.00 55.36 51.45 1t2m s GLN 56 Cb 0.06 -1.99 0.04 0.00 -1.64 0.00 0.00 33.01 29.49 1t2m s GLN 56 CO 0.12 0.29 0.16 -1.17 0.50 0.00 0.00 175.29 175.19 1t2m s LEU 57 N -3.64 0.61 -0.09 3.68 1.98 0.33 -1.35 118.68 120.20 1t2m s LEU 57 Ca 0.32 0.33 -0.12 0.00 -2.89 0.00 0.00 54.13 51.77 1t2m s LEU 57 Cb -0.04 0.40 -0.04 0.00 0.66 0.00 0.00 46.19 47.17 1t2m s LEU 57 CO 0.18 -0.16 -0.23 0.18 -1.89 0.00 0.00 176.35 174.43 1t2m n LEU 58 N 4.31 1.60 -4.43 -0.68 4.77 -1.10 -2.48 117.00 119.00 1t2m n LEU 58 Ca -0.25 0.26 -0.28 0.00 -0.03 0.00 0.00 56.01 55.72 1t2m n LEU 58 Cb 0.52 -0.61 -0.12 0.00 -2.33 0.00 0.00 43.42 40.88 1t2m n LEU 58 CO 0.16 -0.42 -0.53 -0.44 -1.33 0.00 0.00 177.39 174.83 1t2m s SER 59 N -5.85 3.50 -0.03 -1.43 0.01 -1.26 -3.52 113.70 105.12 1t2m s SER 59 Ca -0.19 -0.79 0.01 0.00 1.31 0.00 0.00 55.95 56.29 1t2m s SER 59 Cb 0.03 -0.30 0.02 0.00 0.21 0.00 0.00 66.02 65.97 1t2m s SER 59 CO 0.28 0.14 -0.03 -0.69 0.41 0.00 0.00 173.24 173.36 1t2m s VAL 60 N -1.46 0.37 -1.45 3.43 1.01 -0.75 -2.38 120.40 119.17 1t2m s VAL 60 Ca 0.19 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 1t2m s VAL 60 Cb -0.09 -0.41 0.05 0.00 0.00 0.00 0.00 36.38 35.93 1t2m s VAL 60 CO 0.09 0.17 0.71 -0.67 0.00 0.00 0.00 175.10 175.41 1t2m n ASP 61 N 3.88 -5.08 -1.32 3.32 2.03 0.13 -0.97 116.55 118.54 1t2m n ASP 61 Ca -0.24 -0.46 -0.12 0.00 0.52 0.00 0.00 54.79 54.49 1t2m n ASP 61 Cb 0.52 -4.10 -0.01 0.00 -0.72 0.00 0.00 41.12 36.81 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 -1.50 0.06 3.31 0.27 0.00 -1.25 -4.91 105.19 101.17 1t2m n GLY 62 Ca -0.03 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.40 1.56 -0.41 1.61 0.52 -0.14 -5.11 118.95 112.58 1t2m s ARG 63 Ca 0.00 -1.07 -0.21 0.00 -0.52 0.00 0.00 55.73 53.93 1t2m s ARG 63 Cb 0.00 -1.75 0.02 0.00 0.52 0.00 0.00 34.95 33.73 1t2m s ARG 63 CO 0.00 0.44 0.66 -1.12 0.02 0.00 0.00 175.30 175.31 1t2m s SER 64 N -1.34 6.37 -0.64 0.23 0.01 -1.26 -1.81 113.70 115.26 1t2m s SER 64 Ca 0.10 -0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.27 1t2m s SER 64 Cb -0.10 -2.33 0.20 0.00 0.21 0.00 0.00 66.02 64.00 1t2m s SER 64 CO 0.02 -0.74 0.55 0.00 0.41 0.00 0.00 173.24 173.48 1t2m n LEU 65 N 6.27 2.65 -3.97 2.44 -0.00 -1.23 -5.02 117.00 118.14 1t2m n LEU 65 Ca -0.01 -5.15 -0.31 0.00 -0.00 0.00 0.00 56.01 50.55 1t2m n LEU 65 Cb 0.48 -0.50 -0.15 0.00 -0.00 0.00 0.00 43.42 43.26 1t2m n LEU 65 CO 0.53 1.87 -0.28 -0.69 -0.00 0.00 0.00 177.39 178.82 1t2m s VAL 66 N -1.56 2.26 0.00 1.47 1.01 -1.26 -4.66 120.40 117.67 1t2m s VAL 66 Ca 0.31 -2.63 0.00 0.00 0.00 0.00 0.00 61.98 59.66 1t2m s VAL 66 Cb 0.03 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1t2m s VAL 66 CO -0.13 -0.68 0.00 0.61 0.00 0.00 0.00 175.10 174.90 1t2m n GLY 67 N 3.87 1.39 3.63 4.51 0.00 0.54 -4.49 105.19 114.64 1t2m n GLY 67 Ca 0.04 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1t2m n GLY 67 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1t2m s LEU 68 N 0.00 1.46 0.63 0.99 0.05 -1.26 -4.54 118.68 116.01 1t2m s LEU 68 Ca 0.00 1.32 -0.01 0.00 0.05 0.00 0.00 54.13 55.49 1t2m s LEU 68 Cb 0.00 -3.45 0.07 0.00 -2.05 0.00 0.00 46.19 40.75 1t2m s LEU 68 CO 0.00 -3.40 0.88 -0.44 -0.55 0.00 0.00 176.35 172.85 1t2m s SER 69 N -3.18 4.90 0.55 1.48 0.01 -1.26 -4.80 113.70 111.40 1t2m s SER 69 Ca 0.66 -0.03 0.26 0.00 1.31 0.00 0.00 55.95 58.15 1t2m s SER 69 Cb -0.20 -0.66 1.45 0.00 0.21 0.00 0.00 66.02 66.82 1t2m s SER 69 CO 0.59 -1.45 2.01 -0.61 0.41 0.00 0.00 173.24 174.20 1t2m h GLN 70 N -0.23 0.00 -0.10 12.44 4.15 -1.90 -1.79 115.11 127.68 1t2m h GLN 70 Ca -0.41 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.01 1t2m h GLN 70 Cb 1.29 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.98 1t2m h GLN 70 CO 0.50 0.00 0.05 0.93 -1.93 0.00 0.00 178.83 178.38 1t2m h GLU 71 N 0.00 0.14 -0.02 1.69 5.08 -1.98 0.10 114.58 119.60 1t2m h GLU 71 Ca 0.21 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1t2m h GLU 71 Cb 0.90 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1t2m h GLU 71 CO -0.00 0.19 0.01 0.00 -1.00 0.00 0.00 179.01 178.20 1t2m h ARG 72 N 0.06 0.03 0.43 2.33 -0.00 -1.71 0.91 114.38 116.43 1t2m h ARG 72 Ca 0.04 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.49 1t2m h ARG 72 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.06 1t2m h ARG 72 CO -0.01 0.21 -0.21 0.00 0.00 0.00 0.00 179.97 179.96 1t2m h ALA 73 N 0.82 -0.59 -0.63 0.04 0.00 -1.44 0.39 119.26 117.85 1t2m h ALA 73 Ca 0.01 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1t2m h ALA 73 Cb 0.19 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1t2m h ALA 73 CO -0.00 -0.83 0.41 0.00 0.00 0.00 0.00 179.25 178.83 1t2m h ALA 74 N -0.02 0.80 -0.35 0.00 0.00 -0.83 -1.80 119.26 117.06 1t2m h ALA 74 Ca -0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1t2m h ALA 74 Cb 0.45 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1t2m h ALA 74 CO 0.09 0.21 -0.09 1.49 0.00 0.00 0.00 179.25 180.96 1t2m h GLU 75 N 0.84 0.60 -0.00 0.00 4.57 -0.67 -2.47 114.58 117.45 1t2m h GLU 75 Ca 0.23 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 58.17 1t2m h GLU 75 Cb -0.08 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1t2m h GLU 75 CO -0.06 0.68 -0.35 -0.07 -1.18 0.00 0.00 179.01 178.03 1t2m h LEU 76 N 0.55 0.01 -0.15 1.64 3.38 0.43 -2.46 115.31 118.71 1t2m h LEU 76 Ca 0.10 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.84 1t2m h LEU 76 Cb 0.49 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.25 1t2m h LEU 76 CO 0.03 0.36 -0.82 0.24 0.09 0.00 0.00 178.44 178.34 1t2m h MET 77 N 0.01 0.77 -0.04 1.13 2.86 -0.90 -3.21 114.93 115.54 1t2m h MET 77 Ca -0.00 -0.65 -0.10 0.00 -2.06 0.00 0.00 59.70 56.88 1t2m h MET 77 Cb 0.63 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1t2m h MET 77 CO 0.05 1.26 -0.43 0.00 1.06 0.00 0.00 176.91 178.84 1t2m h THR 78 N 0.51 1.32 -0.96 2.22 1.03 -1.33 -3.20 112.91 112.50 1t2m h THR 78 Ca -0.06 -1.53 -0.47 0.00 -0.01 0.00 0.00 66.41 64.34 1t2m h THR 78 Cb 1.45 1.77 -0.17 0.00 -1.07 0.00 0.00 68.15 70.13 1t2m h THR 78 CO 0.17 0.44 0.33 -2.11 -0.01 0.00 0.00 175.52 174.34 1t2m n ARG 79 N -4.02 2.34 -4.57 0.00 1.85 -0.94 -4.92 116.66 106.41 1t2m n ARG 79 Ca -0.02 -2.21 -0.26 0.00 -1.00 0.00 0.00 57.85 54.37 1t2m n ARG 79 Cb 0.47 -2.11 -0.10 0.00 -1.05 0.00 0.00 32.46 29.67 1t2m n ARG 79 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1t2m s THR 80 N -1.99 1.43 0.12 8.89 -4.23 -1.21 -4.98 115.64 113.66 1t2m s THR 80 Ca 0.58 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1t2m s THR 80 Cb 0.37 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 71.51 1t2m s THR 80 CO -0.20 0.00 0.16 -0.24 -0.54 0.00 0.00 174.62 173.81 1t2m n SER 81 N -0.95 0.14 -0.20 3.99 2.88 -1.26 -4.98 113.62 113.23 1t2m n SER 81 Ca -0.06 -1.13 0.01 0.00 -1.33 0.00 0.00 58.87 56.35 1t2m n SER 81 Cb 0.67 -0.11 0.12 0.00 -0.75 0.00 0.00 64.21 64.13 1t2m n SER 81 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1t2m h SER 82 N -0.14 0.02 -2.86 -3.46 4.64 -1.95 -3.40 113.55 106.39 1t2m h SER 82 Ca -0.05 0.11 -0.64 0.00 -0.47 0.00 0.00 61.79 60.74 1t2m h SER 82 Cb 0.18 0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 62.34 1t2m h SER 82 CO 0.05 0.01 -0.40 -0.69 -0.87 0.00 0.00 176.83 174.94 1t2m s VAL 83 N -6.10 5.36 -0.06 0.95 1.01 -1.26 -1.75 120.40 118.55 1t2m s VAL 83 Ca -0.13 0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.27 1t2m s VAL 83 Cb 0.18 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 33.06 1t2m s VAL 83 CO 0.74 0.57 -0.13 -0.69 0.00 0.00 0.00 175.10 175.59 1t2m s VAL 84 N -0.75 1.16 -0.54 2.92 1.01 0.44 -4.98 120.40 119.66 1t2m s VAL 84 Ca 0.17 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1t2m s VAL 84 Cb -0.13 -1.05 0.14 0.00 0.00 0.00 0.00 36.38 35.34 1t2m s VAL 84 CO 0.06 0.36 0.45 0.42 0.00 0.00 0.00 175.10 176.39 1t2m s THR 85 N 0.56 4.70 -0.26 3.92 -4.23 -1.26 -0.45 115.64 118.62 1t2m s THR 85 Ca -0.13 -1.82 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 1t2m s THR 85 Cb -0.15 -4.04 0.02 0.00 1.34 0.00 0.00 72.50 69.68 1t2m s THR 85 CO 0.03 -0.84 -0.04 -0.76 -0.54 0.00 0.00 174.62 172.48 1t2m s LEU 86 N 1.24 3.32 -0.58 4.79 1.02 0.52 0.21 118.68 129.20 1t2m s LEU 86 Ca 0.07 -0.85 -0.25 0.00 0.02 0.00 0.00 54.13 53.11 1t2m s LEU 86 Cb -0.26 -1.70 0.04 0.00 0.02 0.00 0.00 46.19 44.29 1t2m s LEU 86 CO -0.00 -0.14 1.01 -1.83 0.02 0.00 0.00 176.35 175.41 1t2m s GLU 87 N 1.35 3.33 0.54 1.70 -1.05 -1.00 -1.47 118.70 122.11 1t2m s GLU 87 Ca 0.00 -0.22 -0.00 0.00 -0.15 0.00 0.00 54.97 54.60 1t2m s GLU 87 Cb -0.17 -4.07 0.03 0.00 -0.44 0.00 0.00 34.13 29.48 1t2m s GLU 87 CO -0.03 -1.60 0.78 0.14 0.95 0.00 0.00 175.26 175.50 1t2m s VAL 88 N 4.27 3.01 -0.05 1.83 -7.23 0.14 -2.70 120.40 119.68 1t2m s VAL 88 Ca 0.32 -0.54 0.03 0.00 -1.81 0.00 0.00 61.98 59.99 1t2m s VAL 88 Cb -0.12 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.68 1t2m s VAL 88 CO 0.19 -0.11 -0.15 0.00 -0.31 0.00 0.00 175.10 174.73 1t2m s ALA 89 N -2.78 1.36 -0.23 1.32 0.00 -0.46 -0.21 121.76 120.77 1t2m s ALA 89 Ca 0.55 -0.56 -0.16 0.00 0.00 0.00 0.00 51.96 51.80 1t2m s ALA 89 Cb -0.10 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1t2m s ALA 89 CO 0.39 0.20 0.40 0.21 0.00 0.00 0.00 175.76 176.97 1t2m s LYS 90 N 0.27 4.11 0.00 0.00 2.20 0.36 -2.61 119.74 124.07 1t2m s LYS 90 Ca -0.08 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 1t2m s LYS 90 Cb -0.13 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 1t2m s LYS 90 CO 0.03 -0.15 0.00 0.00 -0.36 0.00 0.00 175.35 174.87 1t2m n GLN 91 N 4.85 0.00 0.00 4.03 0.00 -1.26 -3.74 117.38 121.26 1t2m n GLN 91 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.92 1t2m n GLN 91 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.75 1t2m n GLN 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1t2m n GLY 92 N 0.00 2.28 0.00 2.61 0.00 -1.26 -4.95 105.19 103.87 1t2m n GLY 92 Ca 0.00 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32