#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 -1.49 -0.96 3.17 4.01 -1.26 -4.87 118.16 116.76 1t2m n LYS 2 Ca 0.00 1.55 0.00 0.00 -0.51 0.00 0.00 58.31 59.35 1t2m n LYS 2 Cb 0.00 -4.82 0.00 0.00 -0.51 0.00 0.00 35.03 29.70 1t2m n LYS 2 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1t2m n GLU 3 N -0.92 -2.62 -1.50 1.97 1.02 -1.26 -5.00 120.64 112.33 1t2m n GLU 3 Ca 0.05 2.00 -0.30 0.00 -0.02 0.00 0.00 57.16 58.89 1t2m n GLU 3 Cb 0.43 -2.40 0.21 0.00 -0.02 0.00 0.00 31.44 29.65 1t2m n GLU 3 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1t2m s PRO 4 N -4.76 -0.30 -0.76 3.49 0.04 -1.26 -5.00 135.00 126.45 1t2m s PRO 4 Ca 0.00 -0.24 -0.14 0.00 0.04 0.00 0.00 61.00 60.66 1t2m s PRO 4 Cb 0.00 -1.72 0.20 0.00 0.04 0.00 0.00 34.50 33.02 1t2m s PRO 4 CO 0.00 -3.07 0.69 -2.00 0.04 0.00 0.00 177.00 172.66 1t2m s GLU 5 N -5.65 3.42 -0.20 4.56 2.12 -1.26 -5.03 118.70 116.66 1t2m s GLU 5 Ca 0.72 -2.31 -0.04 0.00 0.36 0.00 0.00 54.97 53.70 1t2m s GLU 5 Cb -0.07 -4.37 -0.02 0.00 0.26 0.00 0.00 34.13 29.94 1t2m s GLU 5 CO 0.54 -1.29 -0.03 0.42 -0.54 0.00 0.00 175.26 174.36 1t2m s ILE 6 N 0.45 3.61 -0.02 -3.70 1.09 -1.26 -1.46 121.20 119.90 1t2m s ILE 6 Ca 0.15 -0.43 0.05 0.00 -1.10 0.00 0.00 60.65 59.32 1t2m s ILE 6 Cb -0.15 -2.62 -0.01 0.00 -1.06 0.00 0.00 42.46 38.62 1t2m s ILE 6 CO -0.06 0.44 -0.17 0.27 -0.10 0.00 0.00 174.94 175.31 1t2m s ILE 7 N 1.07 1.40 -0.26 2.92 -4.36 0.01 -4.93 121.20 117.05 1t2m s ILE 7 Ca 0.01 -0.74 -0.16 0.00 -0.26 0.00 0.00 60.65 59.50 1t2m s ILE 7 Cb -0.15 -1.18 -0.03 0.00 1.25 0.00 0.00 42.46 42.35 1t2m s ILE 7 CO 0.00 0.40 0.44 -0.89 0.24 0.00 0.00 174.94 175.13 1t2m s THR 8 N -0.28 5.13 0.02 8.37 2.01 -1.26 -0.98 115.64 128.64 1t2m s THR 8 Ca 0.04 0.73 0.07 0.00 0.31 0.00 0.00 61.69 62.83 1t2m s THR 8 Cb -0.08 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1t2m s THR 8 CO 0.00 0.13 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.17 1t2m s VAL 9 N 2.12 1.64 0.37 3.82 1.01 -1.00 -4.94 120.40 123.44 1t2m s VAL 9 Ca 0.18 -1.05 -0.23 0.00 0.00 0.00 0.00 61.98 60.88 1t2m s VAL 9 Cb -0.16 -1.40 -0.10 0.00 0.00 0.00 0.00 36.38 34.72 1t2m s VAL 9 CO 0.09 0.32 0.94 0.42 0.00 0.00 0.00 175.10 176.87 1t2m s THR 10 N -0.65 4.32 -0.08 3.92 -4.23 -1.26 -1.55 115.64 116.11 1t2m s THR 10 Ca 0.08 1.62 -0.04 0.00 -1.18 0.00 0.00 61.69 62.17 1t2m s THR 10 Cb -0.08 -3.79 0.04 0.00 1.34 0.00 0.00 72.50 70.01 1t2m s THR 10 CO 0.01 -0.10 0.18 -0.76 -0.54 0.00 0.00 174.62 173.41 1t2m s LEU 11 N -2.64 0.53 0.16 4.79 1.43 0.99 -4.91 118.68 119.02 1t2m s LEU 11 Ca 0.56 0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 53.92 1t2m s LEU 11 Cb -0.14 0.47 -0.07 0.00 0.03 0.00 0.00 46.19 46.49 1t2m s LEU 11 CO 0.18 -0.17 0.52 -0.75 0.23 0.00 0.00 176.35 176.36 1t2m s LYS 12 N 1.34 3.88 -0.32 1.70 2.20 -1.26 -0.18 119.74 127.09 1t2m s LYS 12 Ca -0.08 0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 55.60 1t2m s LYS 12 Cb -0.11 -2.86 -0.01 0.00 -1.51 0.00 0.00 37.83 33.33 1t2m s LYS 12 CO -0.07 0.45 1.70 0.15 -0.36 0.00 0.00 175.35 177.23 1t2m s LYS 13 N -2.21 3.45 -1.05 4.03 1.02 -1.15 -4.76 119.74 119.08 1t2m s LYS 13 Ca 0.40 1.39 -0.03 0.00 0.02 0.00 0.00 55.97 57.74 1t2m s LYS 13 Cb -0.14 -4.14 0.31 0.00 -0.52 0.00 0.00 37.83 33.34 1t2m s LYS 13 CO 0.20 -1.71 1.50 0.94 -0.92 0.00 0.00 175.35 175.35 1t2m n GLN 14 N 8.25 4.52 -3.69 1.68 -0.06 -1.26 -4.70 117.38 122.12 1t2m n GLN 14 Ca 0.21 -4.58 -0.26 0.00 -2.00 0.00 0.00 57.00 50.37 1t2m n GLN 14 Cb 0.47 -2.49 0.06 0.00 -4.06 0.00 0.00 30.24 24.22 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 1.10 -5.89 0.00 1.69 5.15 -1.26 -4.63 115.26 111.41 1t2m n ASN 15 Ca 0.29 -0.61 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 1t2m n ASN 15 Cb 0.33 -4.69 0.00 0.00 -0.53 0.00 0.00 39.78 34.88 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 -1.91 1.36 2.80 8.20 0.00 -1.26 -5.04 105.19 109.34 1t2m n GLY 16 Ca 0.02 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.23 0.94 -1.13 1.61 -1.94 -1.26 -4.56 119.30 111.73 1t2m s MET 17 Ca 0.00 -1.05 -0.10 0.00 -1.71 0.00 0.00 55.69 52.84 1t2m s MET 17 Cb 0.00 -2.25 0.27 0.00 2.01 0.00 0.00 34.83 34.86 1t2m s MET 17 CO 0.00 -0.86 1.17 0.41 -0.01 0.00 0.00 175.02 175.73 1t2m n GLY 18 N 4.78 4.12 3.02 -0.03 0.00 -1.26 -4.96 105.19 110.86 1t2m n GLY 18 Ca -0.04 -2.51 -0.13 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.93 0.01 0.05 0.99 1.02 -1.26 -0.57 118.68 117.98 1t2m s LEU 19 Ca 0.33 0.56 -0.19 0.00 0.02 0.00 0.00 54.13 54.84 1t2m s LEU 19 Cb -0.09 0.70 -0.06 0.00 0.02 0.00 0.00 46.19 46.76 1t2m s LEU 19 CO -0.07 -0.21 0.56 -0.44 0.02 0.00 0.00 176.35 176.22 1t2m s SER 20 N 1.92 7.02 0.22 2.29 0.01 0.17 -5.00 113.70 120.33 1t2m s SER 20 Ca -0.03 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.44 1t2m s SER 20 Cb -0.11 -2.35 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 1t2m s SER 20 CO -0.08 0.23 0.10 0.27 0.41 0.00 0.00 173.24 174.16 1t2m s ILE 21 N -0.85 0.34 -0.21 1.44 -5.25 -1.26 -1.02 121.20 114.39 1t2m s ILE 21 Ca 0.29 -1.99 -0.23 0.00 -0.99 0.00 0.00 60.65 57.73 1t2m s ILE 21 Cb -0.19 -2.49 0.06 0.00 2.95 0.00 0.00 42.46 42.79 1t2m s ILE 21 CO 0.18 -0.08 0.63 0.54 -1.79 0.00 0.00 174.94 174.42 1t2m s VAL 22 N -3.91 0.00 -0.72 8.37 0.11 0.48 -4.73 120.40 120.00 1t2m s VAL 22 Ca 0.36 -0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 59.23 1t2m s VAL 22 Cb 0.07 -0.89 0.16 0.00 -1.53 0.00 0.00 36.38 34.19 1t2m s VAL 22 CO 0.11 -0.01 0.75 0.00 -3.33 0.00 0.00 175.10 172.62 1t2m s ALA 23 N 0.12 3.71 0.43 1.54 0.00 -1.26 -0.05 121.76 126.25 1t2m s ALA 23 Ca -0.02 -2.79 0.04 0.00 0.00 0.00 0.00 51.96 49.19 1t2m s ALA 23 Cb -0.04 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 1t2m s ALA 23 CO 0.02 -2.35 0.13 0.00 0.00 0.00 0.00 175.76 173.57 1t2m s ALA 24 N 1.50 3.07 0.49 0.00 0.00 -1.22 -4.87 121.76 120.73 1t2m s ALA 24 Ca 0.15 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1t2m s ALA 24 Cb -0.17 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 1t2m s ALA 24 CO -0.03 -0.33 0.05 1.17 0.00 0.00 0.00 175.76 176.63 1t2m n LYS 25 N -0.96 0.69 0.00 0.00 4.81 -1.26 -3.08 118.16 118.35 1t2m n LYS 25 Ca -0.07 -3.72 0.00 0.00 -0.87 0.00 0.00 58.31 53.65 1t2m n LYS 25 Cb 0.65 1.31 0.00 0.00 0.02 0.00 0.00 35.03 37.00 1t2m n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1t2m n GLY 26 N -1.11 3.63 3.89 3.14 0.00 -1.26 -5.08 105.19 108.39 1t2m n GLY 26 Ca -0.17 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.00 3.83 -1.74 4.61 0.00 -1.26 -4.26 121.76 121.95 1t2m s ALA 27 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1t2m s ALA 27 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.47 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 -0.24 1.09 2.98 0.00 0.00 -1.26 -4.92 105.19 102.84 1t2m n GLY 28 Ca -0.07 0.00 -0.31 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 -3.87 1.47 -0.08 1.61 2.00 -1.26 -4.96 119.66 114.58 1t2m s GLN 29 Ca 0.00 -1.62 0.09 0.00 -2.00 0.00 0.00 55.36 51.82 1t2m s GLN 29 Cb 0.00 -2.94 0.40 0.00 0.80 0.00 0.00 33.01 31.27 1t2m s GLN 29 CO 0.00 -0.87 1.20 -3.47 -0.50 0.00 0.00 175.29 171.65 1t2m n ASP 30 N 4.39 3.01 -0.90 6.67 2.03 -1.26 -4.66 116.55 125.84 1t2m n ASP 30 Ca -0.00 -2.32 0.00 0.00 0.52 0.00 0.00 54.79 52.98 1t2m n ASP 30 Cb 0.42 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.43 0.00 -5.23 -0.67 4.01 -1.26 -5.05 118.16 110.39 1t2m n LYS 31 Ca 0.14 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.62 1t2m n LYS 31 Cb 0.61 0.00 -0.16 0.00 -0.51 0.00 0.00 35.03 34.96 1t2m n LYS 31 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1t2m s LEU 32 N 0.00 2.11 0.08 -0.35 2.96 -1.26 -4.78 118.68 117.45 1t2m s LEU 32 Ca 0.00 -0.51 0.09 0.00 -0.22 0.00 0.00 54.13 53.48 1t2m s LEU 32 Cb 0.00 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 1t2m s LEU 32 CO 0.00 0.22 -0.20 -0.83 -1.32 0.00 0.00 176.35 174.22 1t2m s GLY 33 N -0.00 1.61 -0.95 7.98 0.00 -1.18 -2.02 107.32 112.75 1t2m s GLY 33 Ca -0.08 -1.30 -0.23 0.00 0.00 0.00 0.00 44.72 43.10 1t2m s GLY 33 CO 0.05 -1.24 1.38 -0.42 0.00 0.00 0.00 173.10 172.88 1t2m s ILE 34 N -1.02 3.95 0.59 0.90 -1.09 -0.95 -3.37 121.20 120.22 1t2m s ILE 34 Ca 0.16 -0.60 -0.15 0.00 -2.23 0.00 0.00 60.65 57.82 1t2m s ILE 34 Cb -0.10 -5.01 -0.04 0.00 -1.58 0.00 0.00 42.46 35.73 1t2m s ILE 34 CO 0.07 -1.88 1.05 -0.31 -1.23 0.00 0.00 174.94 172.64 1t2m s TYR 35 N 4.92 3.07 -0.40 3.97 2.02 0.93 0.71 117.35 132.58 1t2m s TYR 35 Ca 0.42 1.49 -0.13 0.00 -0.37 0.00 0.00 57.07 58.49 1t2m s TYR 35 Cb -0.02 -2.96 0.03 0.00 -0.40 0.00 0.00 41.96 38.61 1t2m s TYR 35 CO -0.05 -1.02 0.27 0.08 -1.57 0.00 0.00 175.55 173.26 1t2m s VAL 36 N -2.54 4.89 0.10 0.71 1.01 0.17 -0.39 120.40 124.35 1t2m s VAL 36 Ca 0.62 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 1t2m s VAL 36 Cb -0.15 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 1t2m s VAL 36 CO 0.38 -0.33 1.45 0.11 0.00 0.00 0.00 175.10 176.71 1t2m h LYS 37 N 8.55 0.70 -2.01 2.72 1.57 -1.37 0.43 116.57 127.16 1t2m h LYS 37 Ca -0.26 -0.34 0.39 0.00 -1.87 0.00 0.00 60.65 58.57 1t2m h LYS 37 Cb 1.11 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.34 1t2m h LYS 37 CO 0.72 0.95 0.98 0.45 -0.57 0.00 0.00 179.45 181.98 1t2m s SER 38 N -6.47 0.00 0.07 0.86 0.15 -1.22 -3.94 113.70 103.15 1t2m s SER 38 Ca -0.12 -0.07 0.08 0.00 0.70 0.00 0.00 55.95 56.54 1t2m s SER 38 Cb 0.09 0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.42 1t2m s SER 38 CO 0.82 -0.11 -0.22 -0.69 1.20 0.00 0.00 173.24 174.24 1t2m s VAL 39 N -2.01 1.83 -0.15 4.45 1.01 -1.26 -0.66 120.40 123.61 1t2m s VAL 39 Ca 0.31 -1.40 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 1t2m s VAL 39 Cb 0.00 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1t2m s VAL 39 CO -0.02 0.14 0.30 -0.69 0.00 0.00 0.00 175.10 174.83 1t2m s VAL 40 N -0.94 5.29 0.34 2.92 1.01 0.27 -4.96 120.40 124.33 1t2m s VAL 40 Ca 0.09 0.57 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 1t2m s VAL 40 Cb -0.09 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 1t2m s VAL 40 CO 0.03 0.41 1.42 -0.75 0.00 0.00 0.00 175.10 176.21 1t2m s LYS 41 N 0.33 4.23 0.00 2.72 2.47 -1.26 -2.60 119.74 125.62 1t2m s LYS 41 Ca 0.17 2.40 0.00 0.00 -1.56 0.00 0.00 55.97 56.98 1t2m s LYS 41 Cb -0.13 -3.03 0.00 0.00 -1.46 0.00 0.00 37.83 33.21 1t2m s LYS 41 CO 0.05 -0.39 0.00 0.41 0.16 0.00 0.00 175.35 175.57 1t2m n GLY 42 N 0.94 2.62 0.00 5.54 0.00 -1.26 -5.06 105.19 107.96 1t2m n GLY 42 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.96 0.13 -0.02 0.00 -1.07 -4.92 105.19 95.35 1t2m n GLY 43 Ca 0.00 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.33 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 0.24 -0.34 4.61 0.00 -1.82 -3.30 119.26 116.65 1t2m h ALA 44 Ca 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 54.91 53.63 1t2m h ALA 44 Cb 0.00 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1t2m h ALA 44 CO 0.00 0.93 -0.19 0.00 0.00 0.00 0.00 179.25 179.98 1t2m h ALA 45 N -0.06 0.48 -0.44 0.00 0.00 -1.90 -0.94 119.26 116.40 1t2m h ALA 45 Ca -0.34 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.23 1t2m h ALA 45 Cb 1.79 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1t2m h ALA 45 CO 0.04 0.43 0.27 0.22 0.00 0.00 0.00 179.25 180.21 1t2m h ASP 46 N 0.51 0.44 0.36 0.00 1.82 -1.80 -1.81 116.42 115.95 1t2m h ASP 46 Ca 0.07 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.54 1t2m h ASP 46 Cb 0.74 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.65 1t2m h ASP 46 CO 0.06 0.32 -0.71 0.58 -1.61 0.00 0.00 179.24 177.87 1t2m h VAL 47 N 0.54 1.40 0.54 2.25 2.07 -1.63 -3.30 116.25 118.13 1t2m h VAL 47 Ca 0.17 -2.17 -0.03 0.00 0.82 0.00 0.00 66.70 65.50 1t2m h VAL 47 Cb -0.00 2.14 0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1t2m h VAL 47 CO -0.07 0.64 -0.26 0.44 0.02 0.00 0.00 177.57 178.34 1t2m h ASP 48 N 0.21 -0.61 -1.99 0.57 5.19 -0.81 -3.49 116.42 115.49 1t2m h ASP 48 Ca -0.02 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1t2m h ASP 48 Cb 1.27 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.93 1t2m h ASP 48 CO 0.11 -0.42 0.00 0.61 -3.12 0.00 0.00 179.24 176.43 1t2m n GLY 49 N -1.33 0.82 0.48 2.75 0.00 -0.71 -5.05 105.19 102.15 1t2m n GLY 49 Ca -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.96 0.00 -4.46 1.61 5.12 -1.26 -5.11 116.66 111.61 1t2m n ARG 50 Ca 0.00 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 1t2m n ARG 50 Cb 0.33 -0.74 -0.09 0.00 -1.16 0.00 0.00 32.46 30.80 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 -5.33 1.99 0.00 0.55 0.05 -1.26 -5.14 118.68 109.53 1t2m s LEU 51 Ca 0.00 -1.54 0.00 0.00 0.05 0.00 0.00 54.13 52.64 1t2m s LEU 51 Cb 0.00 -0.16 0.00 0.00 -2.05 0.00 0.00 46.19 43.98 1t2m s LEU 51 CO 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 176.35 175.00 1t2m n ALA 52 N -0.76 0.00 -1.77 1.48 0.00 -1.26 -4.92 120.51 113.28 1t2m n ALA 52 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 1t2m n ALA 52 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.75 3.24 0.00 0.00 0.00 -1.26 -4.05 121.76 117.93 1t2m s ALA 53 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1t2m s ALA 53 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1t2m s ALA 53 CO 0.00 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1t2m n GLY 54 N 0.74 0.47 3.56 0.00 0.00 0.15 -4.95 105.19 105.16 1t2m n GLY 54 Ca 0.03 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1t2m n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t2m n ASP 55 N -0.75 1.94 -4.01 1.61 9.92 -1.10 -2.67 116.55 121.50 1t2m n ASP 55 Ca 0.00 -3.26 -0.22 0.00 -0.53 0.00 0.00 54.79 50.78 1t2m n ASP 55 Cb 0.42 0.84 -0.16 0.00 -0.64 0.00 0.00 41.12 41.59 1t2m n ASP 55 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1t2m s GLN 56 N -3.70 1.21 -0.14 -1.24 0.74 -1.07 0.42 119.66 115.88 1t2m s GLN 56 Ca 0.15 -0.35 -0.02 0.00 0.05 0.00 0.00 55.36 55.19 1t2m s GLN 56 Cb 0.01 -1.09 -0.02 0.00 1.10 0.00 0.00 33.01 33.01 1t2m s GLN 56 CO 0.10 0.10 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.36 1t2m s LEU 57 N 0.33 3.07 -0.17 3.68 1.43 0.22 0.12 118.68 127.37 1t2m s LEU 57 Ca -0.06 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 1t2m s LEU 57 Cb -0.11 -1.71 -0.07 0.00 0.03 0.00 0.00 46.19 44.33 1t2m s LEU 57 CO 0.01 0.19 -0.30 0.18 0.23 0.00 0.00 176.35 176.67 1t2m n LEU 58 N 3.36 1.76 -4.43 1.79 7.99 -0.54 -2.25 117.00 124.67 1t2m n LEU 58 Ca -0.18 0.30 -0.30 0.00 -0.01 0.00 0.00 56.01 55.82 1t2m n LEU 58 Cb 0.53 -0.68 -0.13 0.00 -0.11 0.00 0.00 43.42 43.03 1t2m n LEU 58 CO 0.31 -0.08 -0.53 -0.55 -1.51 0.00 0.00 177.39 175.04 1t2m s SER 59 N -6.31 3.57 -0.29 -1.43 0.15 -1.26 -1.63 113.70 106.52 1t2m s SER 59 Ca -0.27 -0.57 0.01 0.00 0.70 0.00 0.00 55.95 55.82 1t2m s SER 59 Cb 0.06 -0.44 0.08 0.00 -1.71 0.00 0.00 66.02 64.02 1t2m s SER 59 CO 0.38 0.22 0.03 -0.69 1.20 0.00 0.00 173.24 174.38 1t2m s VAL 60 N -0.98 1.43 -1.33 4.45 1.01 0.24 -1.46 120.40 123.76 1t2m s VAL 60 Ca 0.15 -1.53 -0.08 0.00 0.00 0.00 0.00 61.98 60.51 1t2m s VAL 60 Cb -0.10 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1t2m s VAL 60 CO 0.06 -0.44 1.07 -0.67 0.00 0.00 0.00 175.10 175.12 1t2m n ASP 61 N 4.65 -6.21 0.00 3.32 2.03 -0.83 -1.92 116.55 117.58 1t2m n ASP 61 Ca -0.04 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.78 1t2m n ASP 61 Cb 0.43 -4.86 0.00 0.00 -0.72 0.00 0.00 41.12 35.97 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 -1.90 3.15 3.72 0.27 0.00 -1.26 -4.87 105.19 104.31 1t2m n GLY 62 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.43 4.49 -0.25 1.61 0.52 -0.81 -5.01 118.95 119.07 1t2m s ARG 63 Ca 0.00 1.77 -0.19 0.00 -0.52 0.00 0.00 55.73 56.79 1t2m s ARG 63 Cb 0.00 -3.31 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 1t2m s ARG 63 CO 0.00 -0.14 0.56 -1.54 0.02 0.00 0.00 175.30 174.20 1t2m s SER 64 N 0.58 6.51 -0.53 0.23 1.04 -1.26 -0.59 113.70 119.67 1t2m s SER 64 Ca 0.55 0.61 0.02 0.00 0.48 0.00 0.00 55.95 57.62 1t2m s SER 64 Cb -0.30 -2.30 0.43 0.00 0.10 0.00 0.00 66.02 63.95 1t2m s SER 64 CO 0.32 -0.31 1.60 0.18 0.98 0.00 0.00 173.24 176.01 1t2m n LEU 65 N 5.52 6.24 -4.49 2.42 4.32 -0.64 -4.93 117.00 125.44 1t2m n LEU 65 Ca -0.03 -4.70 -0.43 0.00 -0.02 0.00 0.00 56.01 50.83 1t2m n LEU 65 Cb 0.49 -0.69 -0.02 0.00 -1.62 0.00 0.00 43.42 41.58 1t2m n LEU 65 CO 0.41 1.86 1.27 -0.69 -1.22 0.00 0.00 177.39 179.03 1t2m s VAL 66 N -4.92 4.61 0.00 4.08 1.01 -1.26 -3.62 120.40 120.29 1t2m s VAL 66 Ca 0.55 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1t2m s VAL 66 Cb 0.45 -4.90 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1t2m s VAL 66 CO -0.09 -1.66 0.00 0.61 0.00 0.00 0.00 175.10 173.95 1t2m n GLY 67 N 5.38 1.90 3.89 4.51 0.00 -0.86 -4.80 105.19 115.21 1t2m n GLY 67 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 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 2.90 0.39 0.99 1.43 -1.24 -4.80 118.68 118.35 1t2m s LEU 68 Ca 0.00 -1.11 0.08 0.00 -1.03 0.00 0.00 54.13 52.07 1t2m s LEU 68 Cb 0.00 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 1t2m s LEU 68 CO 0.00 -0.97 0.33 -0.44 0.23 0.00 0.00 176.35 175.50 1t2m s SER 69 N -4.24 5.05 0.38 2.29 0.01 -1.26 -4.77 113.70 111.16 1t2m s SER 69 Ca 0.39 -0.70 0.08 0.00 1.31 0.00 0.00 55.95 57.03 1t2m s SER 69 Cb -0.02 -0.68 0.82 0.00 0.21 0.00 0.00 66.02 66.35 1t2m s SER 69 CO 0.24 -0.55 1.97 -0.61 0.41 0.00 0.00 173.24 174.70 1t2m h GLN 70 N 1.14 0.64 0.38 12.44 4.15 -1.94 -1.30 115.11 130.61 1t2m h GLN 70 Ca -0.42 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.95 1t2m h GLN 70 Cb 1.26 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 1t2m h GLN 70 CO 0.59 0.42 -0.24 0.93 -1.93 0.00 0.00 178.83 178.60 1t2m h GLU 71 N 0.66 -0.57 -0.35 1.69 5.08 -1.99 0.17 114.58 119.27 1t2m h GLU 71 Ca 0.29 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 1t2m h GLU 71 Cb 0.29 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1t2m h GLU 71 CO -0.09 -0.38 0.19 0.00 -1.00 0.00 0.00 179.01 177.73 1t2m h ARG 72 N -0.59 0.49 0.40 2.33 2.47 -1.87 -0.73 114.38 116.88 1t2m h ARG 72 Ca -0.04 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 1t2m h ARG 72 Cb 0.49 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 1t2m h ARG 72 CO 0.04 0.41 -0.28 0.00 0.56 0.00 0.00 179.97 180.70 1t2m h ALA 73 N 1.05 -0.66 -0.38 0.04 0.00 -1.12 0.02 119.26 118.21 1t2m h ALA 73 Ca 0.12 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1t2m h ALA 73 Cb 0.07 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1t2m h ALA 73 CO -0.02 -0.89 0.15 0.00 0.00 0.00 0.00 179.25 178.49 1t2m h ALA 74 N -0.13 0.46 -0.30 0.00 0.00 -0.62 0.46 119.26 119.13 1t2m h ALA 74 Ca -0.04 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1t2m h ALA 74 Cb 0.56 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1t2m h ALA 74 CO 0.02 -0.23 0.16 1.49 0.00 0.00 0.00 179.25 180.69 1t2m h GLU 75 N 0.32 0.40 0.23 0.00 4.57 -0.97 0.16 114.58 119.29 1t2m h GLU 75 Ca 0.17 -0.03 -0.32 0.00 -1.18 0.00 0.00 59.36 58.00 1t2m h GLU 75 Cb 0.13 -0.09 0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1t2m h GLU 75 CO -0.16 0.30 -1.45 -0.07 -1.18 0.00 0.00 179.01 176.45 1t2m h LEU 76 N 0.41 0.75 -0.49 1.64 3.38 -0.08 -3.21 115.31 117.71 1t2m h LEU 76 Ca 0.11 -0.93 -0.09 0.00 0.09 0.00 0.00 57.88 57.06 1t2m h LEU 76 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1t2m h LEU 76 CO -0.02 1.69 -0.06 0.24 0.09 0.00 0.00 178.44 180.38 1t2m h MET 77 N 0.06 0.91 -0.30 1.13 2.86 0.22 -2.92 114.93 116.88 1t2m h MET 77 Ca -0.26 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.04 1t2m h MET 77 Cb 2.08 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 33.66 1t2m h MET 77 CO 0.24 0.97 0.11 0.00 1.06 0.00 0.00 176.91 179.28 1t2m h THR 78 N 0.76 1.13 -2.56 2.22 1.03 -0.81 -3.16 112.91 111.52 1t2m h THR 78 Ca 0.13 -0.40 -0.79 0.00 -0.01 0.00 0.00 66.41 65.34 1t2m h THR 78 Cb 0.60 0.79 -0.29 0.00 -1.07 0.00 0.00 68.15 68.17 1t2m h THR 78 CO 0.04 0.15 0.78 0.54 -0.01 0.00 0.00 175.52 177.02 1t2m n ARG 79 N -4.40 4.79 -4.09 0.00 1.74 -1.10 -5.01 116.66 108.58 1t2m n ARG 79 Ca 0.01 -4.63 -0.22 0.00 -0.77 0.00 0.00 57.85 52.25 1t2m n ARG 79 Cb 0.14 -2.47 -0.04 0.00 -1.02 0.00 0.00 32.46 29.07 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 -3.56 4.58 0.24 0.55 -4.23 -1.20 -4.93 115.64 107.10 1t2m s THR 80 Ca 0.36 -1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 59.49 1t2m s THR 80 Cb 0.13 -3.48 0.06 0.00 1.34 0.00 0.00 72.50 70.54 1t2m s THR 80 CO -0.01 -0.35 0.29 -0.24 -0.54 0.00 0.00 174.62 173.77 1t2m n SER 81 N -1.22 -0.39 -0.18 3.99 2.88 -1.26 -4.91 113.62 112.53 1t2m n SER 81 Ca -0.08 -0.96 0.19 0.00 -1.33 0.00 0.00 58.87 56.69 1t2m n SER 81 Cb 0.58 -0.23 0.56 0.00 -0.75 0.00 0.00 64.21 64.36 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 -0.73 0.30 -3.39 -3.46 4.64 -2.00 -3.39 113.55 105.53 1t2m h SER 82 Ca -0.10 0.03 -0.47 0.00 -0.47 0.00 0.00 61.79 60.77 1t2m h SER 82 Cb 0.28 -0.03 -0.34 0.00 -0.31 0.00 0.00 62.40 61.99 1t2m h SER 82 CO 0.07 0.14 -0.79 -0.69 -0.87 0.00 0.00 176.83 174.68 1t2m s VAL 83 N -5.32 0.86 -0.14 0.95 1.01 -1.26 -2.92 120.40 113.58 1t2m s VAL 83 Ca -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1t2m s VAL 83 Cb 0.22 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1t2m s VAL 83 CO 0.77 0.30 -0.11 0.54 0.00 0.00 0.00 175.10 176.61 1t2m s VAL 84 N 1.00 3.21 -0.98 2.92 0.11 0.74 -4.84 120.40 122.57 1t2m s VAL 84 Ca -0.09 -0.60 -0.13 0.00 -2.93 0.00 0.00 61.98 58.23 1t2m s VAL 84 Cb -0.15 -2.37 0.22 0.00 -1.53 0.00 0.00 36.38 32.56 1t2m s VAL 84 CO 0.00 0.51 1.00 0.42 -3.33 0.00 0.00 175.10 173.71 1t2m s THR 85 N 0.42 5.56 -0.27 5.04 -4.23 -1.26 -0.01 115.64 120.90 1t2m s THR 85 Ca -0.09 -2.69 -0.23 0.00 -1.18 0.00 0.00 61.69 57.51 1t2m s THR 85 Cb -0.15 -4.61 -0.01 0.00 1.34 0.00 0.00 72.50 69.07 1t2m s THR 85 CO 0.05 -1.21 0.75 -0.76 -0.54 0.00 0.00 174.62 172.90 1t2m s LEU 86 N 0.19 4.08 -0.60 4.79 2.01 -0.60 -1.97 118.68 126.58 1t2m s LEU 86 Ca 0.27 0.80 -0.22 0.00 0.01 0.00 0.00 54.13 54.98 1t2m s LEU 86 Cb -0.09 -3.04 0.06 0.00 0.01 0.00 0.00 46.19 43.14 1t2m s LEU 86 CO -0.08 -0.50 0.90 -0.70 1.01 0.00 0.00 176.35 176.98 1t2m s GLU 87 N 2.76 3.18 0.09 1.70 2.12 -0.53 -2.37 118.70 125.65 1t2m s GLU 87 Ca 0.31 -0.69 -0.05 0.00 0.36 0.00 0.00 54.97 54.90 1t2m s GLU 87 Cb -0.15 -4.16 -0.05 0.00 0.26 0.00 0.00 34.13 30.03 1t2m s GLU 87 CO 0.09 -1.61 0.34 0.54 -0.54 0.00 0.00 175.26 174.08 1t2m s VAL 88 N 3.75 5.21 -0.13 3.70 0.11 -0.16 -1.47 120.40 131.41 1t2m s VAL 88 Ca 0.23 0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 59.36 1t2m s VAL 88 Cb -0.16 -3.61 -0.02 0.00 -1.53 0.00 0.00 36.38 31.06 1t2m s VAL 88 CO 0.13 0.16 -0.12 0.00 -3.33 0.00 0.00 175.10 171.94 1t2m s ALA 89 N -1.52 2.66 -1.06 1.54 0.00 0.33 -0.81 121.76 122.91 1t2m s ALA 89 Ca 0.36 -0.88 -0.24 0.00 0.00 0.00 0.00 51.96 51.20 1t2m s ALA 89 Cb -0.13 -1.25 -0.11 0.00 0.00 0.00 0.00 23.12 21.62 1t2m s ALA 89 CO 0.22 0.24 2.03 0.15 0.00 0.00 0.00 175.76 178.40 1t2m s LYS 90 N 0.36 2.13 0.00 0.00 3.01 -0.54 -2.61 119.74 122.10 1t2m s LYS 90 Ca -0.10 -0.64 0.00 0.00 -1.01 0.00 0.00 55.97 54.22 1t2m s LYS 90 Cb -0.16 -5.10 0.00 0.00 -1.01 0.00 0.00 37.83 31.56 1t2m s LYS 90 CO 0.05 -4.22 0.00 0.94 0.51 0.00 0.00 175.35 172.63 1t2m n GLN 91 N 8.45 1.70 0.00 1.68 7.27 -1.26 -4.78 117.38 130.44 1t2m n GLN 91 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.50 1t2m n GLN 91 Cb 0.46 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.11 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 4.24 0.00 1.69 0.00 -1.09 -4.69 105.19 110.34 1t2m n GLY 92 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32