#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 2.60 -0.16 0.03 -0.14 -1.26 -5.12 119.74 115.69 1t2m s LYS 2 Ca 0.00 -1.27 -0.00 0.00 -1.36 0.00 0.00 55.97 53.34 1t2m s LYS 2 Cb 0.00 -2.67 0.04 0.00 -1.68 0.00 0.00 37.83 33.51 1t2m s LYS 2 CO 0.00 -0.53 -0.08 -1.21 -0.76 0.00 0.00 175.35 172.77 1t2m s GLU 3 N -4.52 1.66 0.41 1.68 2.02 -1.26 -5.13 118.70 113.55 1t2m s GLU 3 Ca 0.58 -0.55 -0.25 0.00 0.02 0.00 0.00 54.97 54.76 1t2m s GLU 3 Cb -0.09 -2.04 -0.08 0.00 0.10 0.00 0.00 34.13 32.02 1t2m s GLU 3 CO 0.36 -0.39 1.19 -1.25 0.02 0.00 0.00 175.26 175.19 1t2m s PRO 4 N 1.58 4.00 -0.39 0.39 0.04 -1.26 -4.96 135.00 134.40 1t2m s PRO 4 Ca 0.01 1.88 0.01 0.00 0.04 0.00 0.00 61.00 62.94 1t2m s PRO 4 Cb -0.15 -2.66 0.11 0.00 0.04 0.00 0.00 34.50 31.84 1t2m s PRO 4 CO -0.08 -0.38 0.14 -2.00 0.04 0.00 0.00 177.00 174.72 1t2m s GLU 5 N -2.33 1.78 -0.79 4.56 2.12 -1.12 -4.96 118.70 117.95 1t2m s GLU 5 Ca 0.58 -1.90 -0.26 0.00 0.36 0.00 0.00 54.97 53.75 1t2m s GLU 5 Cb -0.32 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.70 1t2m s GLU 5 CO 0.40 -1.02 1.31 0.42 -0.54 0.00 0.00 175.26 175.83 1t2m s ILE 6 N 0.94 3.77 0.21 -3.70 1.09 -1.26 -2.13 121.20 120.13 1t2m s ILE 6 Ca 0.10 0.17 0.06 0.00 -1.10 0.00 0.00 60.65 59.89 1t2m s ILE 6 Cb -0.21 -4.94 -0.04 0.00 -1.06 0.00 0.00 42.46 36.21 1t2m s ILE 6 CO -0.06 -1.87 0.16 0.27 -0.10 0.00 0.00 174.94 173.34 1t2m s ILE 7 N 5.57 4.39 -0.09 2.92 -4.36 1.00 -4.91 121.20 125.72 1t2m s ILE 7 Ca 0.37 -1.30 0.03 0.00 -0.26 0.00 0.00 60.65 59.49 1t2m s ILE 7 Cb -0.07 -3.32 0.01 0.00 1.25 0.00 0.00 42.46 40.34 1t2m s ILE 7 CO 0.10 -0.25 -0.18 -0.89 0.24 0.00 0.00 174.94 173.97 1t2m s THR 8 N -1.97 1.59 0.04 8.37 2.01 -1.26 -0.91 115.64 123.50 1t2m s THR 8 Ca 0.32 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1t2m s THR 8 Cb -0.09 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1t2m s THR 8 CO 0.24 0.46 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.87 1t2m s VAL 9 N 0.62 0.41 -0.52 3.82 1.01 -0.59 -4.99 120.40 120.16 1t2m s VAL 9 Ca -0.14 -1.17 -0.23 0.00 0.00 0.00 0.00 61.98 60.44 1t2m s VAL 9 Cb -0.16 -0.68 0.04 0.00 0.00 0.00 0.00 36.38 35.58 1t2m s VAL 9 CO 0.04 -0.51 0.83 0.42 0.00 0.00 0.00 175.10 175.88 1t2m s THR 10 N -1.81 4.57 0.28 3.92 -4.23 -1.26 -2.43 115.64 114.67 1t2m s THR 10 Ca -0.08 0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 60.46 1t2m s THR 10 Cb -0.07 -4.44 -0.05 0.00 1.34 0.00 0.00 72.50 69.28 1t2m s THR 10 CO -0.01 -0.97 0.53 -0.76 -0.54 0.00 0.00 174.62 172.87 1t2m s LEU 11 N 3.47 4.08 -0.05 4.79 2.01 -0.43 -4.88 118.68 127.67 1t2m s LEU 11 Ca 0.26 0.65 0.06 0.00 0.01 0.00 0.00 54.13 55.11 1t2m s LEU 11 Cb -0.14 -3.46 -0.02 0.00 0.01 0.00 0.00 46.19 42.57 1t2m s LEU 11 CO 0.18 -0.18 -0.21 -0.75 1.01 0.00 0.00 176.35 176.40 1t2m s LYS 12 N -3.55 2.45 -0.35 1.70 2.20 -1.26 -1.62 119.74 119.32 1t2m s LYS 12 Ca 0.43 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.92 1t2m s LYS 12 Cb -0.11 -2.22 -0.00 0.00 -1.51 0.00 0.00 37.83 33.99 1t2m s LYS 12 CO 0.30 0.50 1.53 0.21 -0.36 0.00 0.00 175.35 177.53 1t2m s LYS 13 N -0.44 3.59 -0.84 4.03 2.20 -0.84 -4.61 119.74 122.83 1t2m s LYS 13 Ca 0.05 1.22 -0.08 0.00 -0.36 0.00 0.00 55.97 56.80 1t2m s LYS 13 Cb -0.12 -4.05 0.21 0.00 -1.51 0.00 0.00 37.83 32.37 1t2m s LYS 13 CO 0.01 -1.54 0.75 -1.14 -0.36 0.00 0.00 175.35 173.07 1t2m s GLN 14 N 4.98 3.37 -1.46 4.03 2.00 -1.26 -4.65 119.66 126.67 1t2m s GLN 14 Ca 0.67 -2.79 -0.09 0.00 -2.00 0.00 0.00 55.36 51.15 1t2m s GLN 14 Cb -0.18 -4.17 0.04 0.00 0.80 0.00 0.00 33.01 29.50 1t2m s GLN 14 CO 0.31 -1.25 0.89 -1.71 -0.50 0.00 0.00 175.29 173.03 1t2m n ASN 15 N 3.27 -5.54 0.00 6.67 2.85 -1.26 -4.69 115.26 116.56 1t2m n ASN 15 Ca 0.16 -0.52 0.00 0.00 -0.11 0.00 0.00 54.58 54.10 1t2m n ASN 15 Cb 0.41 -4.43 0.00 0.00 1.24 0.00 0.00 39.78 37.00 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 -1.69 0.41 2.62 8.20 0.00 -1.26 -4.98 105.19 108.49 1t2m n GLY 16 Ca -0.02 -2.27 -0.29 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 0.00 0.42 -1.20 1.61 -1.94 -1.26 -4.76 119.30 112.17 1t2m s MET 17 Ca 0.00 -0.79 -0.08 0.00 -1.71 0.00 0.00 55.69 53.11 1t2m s MET 17 Cb 0.00 -1.51 0.22 0.00 2.01 0.00 0.00 34.83 35.55 1t2m s MET 17 CO 0.00 -1.01 1.64 0.41 -0.01 0.00 0.00 175.02 176.05 1t2m n GLY 18 N 5.03 4.64 2.85 -0.03 0.00 -1.26 -4.93 105.19 111.49 1t2m n GLY 18 Ca -0.04 -2.29 -0.15 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.74 0.72 -0.03 0.99 1.02 -1.26 -1.46 118.68 117.92 1t2m s LEU 19 Ca 0.37 0.21 -0.23 0.00 0.02 0.00 0.00 54.13 54.50 1t2m s LEU 19 Cb 0.05 0.19 -0.05 0.00 0.02 0.00 0.00 46.19 46.40 1t2m s LEU 19 CO 0.03 -0.16 0.68 -0.44 0.02 0.00 0.00 176.35 176.48 1t2m s SER 20 N 1.31 7.02 0.28 2.29 0.01 0.02 -5.00 113.70 119.64 1t2m s SER 20 Ca -0.07 1.23 0.02 0.00 1.31 0.00 0.00 55.95 58.43 1t2m s SER 20 Cb -0.12 -2.41 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 1t2m s SER 20 CO -0.05 -0.03 0.10 0.27 0.41 0.00 0.00 173.24 173.95 1t2m s ILE 21 N 0.35 0.58 -0.23 1.44 -4.36 -1.26 -0.23 121.20 117.49 1t2m s ILE 21 Ca 0.36 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.54 1t2m s ILE 21 Cb -0.18 -2.62 0.06 0.00 1.25 0.00 0.00 42.46 40.97 1t2m s ILE 21 CO 0.19 0.00 0.62 0.54 0.24 0.00 0.00 174.94 176.52 1t2m s VAL 22 N -3.66 -0.00 -0.64 8.37 0.11 0.19 -4.77 120.40 119.99 1t2m s VAL 22 Ca 0.37 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.25 1t2m s VAL 22 Cb 0.07 -0.86 0.13 0.00 -1.53 0.00 0.00 36.38 34.19 1t2m s VAL 22 CO 0.15 0.00 0.69 0.00 -3.33 0.00 0.00 175.10 172.60 1t2m s ALA 23 N 0.49 3.60 0.40 1.54 0.00 -1.26 -0.13 121.76 126.40 1t2m s ALA 23 Ca -0.01 -2.56 0.05 0.00 0.00 0.00 0.00 51.96 49.44 1t2m s ALA 23 Cb -0.05 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1t2m s ALA 23 CO -0.02 -2.29 0.18 0.00 0.00 0.00 0.00 175.76 173.64 1t2m n ALA 24 N 5.60 0.62 -4.75 0.00 0.00 -1.20 -4.86 120.51 115.93 1t2m n ALA 24 Ca -0.04 -2.10 -0.32 0.00 0.00 0.00 0.00 53.44 50.97 1t2m n ALA 24 Cb 0.43 1.48 -0.07 0.00 0.00 0.00 0.00 19.45 21.29 1t2m n ALA 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1t2m n LYS 25 N -0.88 0.77 0.00 0.00 4.81 -1.26 -2.60 118.16 119.00 1t2m n LYS 25 Ca -0.03 -3.69 0.00 0.00 -0.87 0.00 0.00 58.31 53.72 1t2m n LYS 25 Cb 0.63 1.01 0.00 0.00 0.02 0.00 0.00 35.03 36.69 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 -1.05 2.79 3.92 3.14 0.00 -1.26 -5.05 105.19 107.68 1t2m n GLY 26 Ca -0.21 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 3.90 -1.72 4.61 0.00 -1.26 -4.24 121.76 122.05 1t2m s ALA 27 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1t2m s ALA 27 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1t2m s ALA 27 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.65 1t2m n GLY 28 N -0.67 0.88 2.89 0.00 0.00 -1.26 -4.92 105.19 102.10 1t2m n GLY 28 Ca -0.07 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 -4.04 1.24 0.00 1.61 2.00 -1.26 -4.96 119.66 114.25 1t2m s GLN 29 Ca 0.00 -1.29 0.10 0.00 -2.00 0.00 0.00 55.36 52.17 1t2m s GLN 29 Cb 0.00 -2.56 0.32 0.00 0.80 0.00 0.00 33.01 31.57 1t2m s GLN 29 CO 0.00 -0.84 1.25 -3.47 -0.50 0.00 0.00 175.29 171.73 1t2m n ASP 30 N 4.61 1.42 -0.75 6.67 2.03 -1.26 -4.67 116.55 124.60 1t2m n ASP 30 Ca -0.03 -1.95 0.00 0.00 0.52 0.00 0.00 54.79 53.33 1t2m n ASP 30 Cb 0.43 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.26 0.00 -4.66 -0.67 5.02 -1.26 -4.99 118.16 111.86 1t2m n LYS 31 Ca 0.10 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.06 1t2m n LYS 31 Cb 0.23 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.11 1t2m n LYS 31 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1t2m s LEU 32 N 0.00 2.95 0.16 -0.35 2.96 -1.26 -4.76 118.68 118.37 1t2m s LEU 32 Ca 0.00 -0.20 0.08 0.00 -0.22 0.00 0.00 54.13 53.79 1t2m s LEU 32 Cb 0.00 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1t2m s LEU 32 CO 0.00 0.22 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.33 1t2m s GLY 33 N 0.04 1.74 -0.67 7.98 0.00 -1.07 -1.58 107.32 113.76 1t2m s GLY 33 Ca -0.03 -1.39 -0.25 0.00 0.00 0.00 0.00 44.72 43.05 1t2m s GLY 33 CO 0.04 -1.40 1.12 -0.42 0.00 0.00 0.00 173.10 172.44 1t2m s ILE 34 N -1.56 4.03 0.04 0.90 -1.09 -1.01 -3.23 121.20 119.29 1t2m s ILE 34 Ca 0.24 0.18 -0.21 0.00 -2.23 0.00 0.00 60.65 58.63 1t2m s ILE 34 Cb -0.09 -4.78 -0.06 0.00 -1.58 0.00 0.00 42.46 35.95 1t2m s ILE 34 CO 0.15 -1.58 0.63 -0.31 -1.23 0.00 0.00 174.94 172.60 1t2m s TYR 35 N 4.88 3.75 -0.34 3.97 2.02 0.81 0.79 117.35 133.23 1t2m s TYR 35 Ca 0.31 1.30 -0.19 0.00 -0.37 0.00 0.00 57.07 58.11 1t2m s TYR 35 Cb -0.11 -2.62 -0.00 0.00 -0.40 0.00 0.00 41.96 38.82 1t2m s TYR 35 CO 0.15 0.42 0.58 0.08 -1.57 0.00 0.00 175.55 175.21 1t2m s VAL 36 N -0.51 4.95 0.02 0.71 1.01 0.24 0.55 120.40 127.38 1t2m s VAL 36 Ca 0.32 0.57 -0.20 0.00 0.00 0.00 0.00 61.98 62.68 1t2m s VAL 36 Cb -0.19 -4.01 -0.19 0.00 0.00 0.00 0.00 36.38 31.99 1t2m s VAL 36 CO 0.19 -0.22 1.19 0.11 0.00 0.00 0.00 175.10 176.37 1t2m h LYS 37 N 8.38 0.42 -1.72 2.72 1.57 -0.90 0.10 116.57 127.13 1t2m h LYS 37 Ca -0.27 -0.35 0.30 0.00 -1.87 0.00 0.00 60.65 58.46 1t2m h LYS 37 Cb 1.12 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 33.40 1t2m h LYS 37 CO 0.80 0.99 0.79 0.45 -0.57 0.00 0.00 179.45 181.91 1t2m s SER 38 N -6.55 -0.05 -0.04 0.86 0.15 -1.19 -3.70 113.70 103.18 1t2m s SER 38 Ca -0.14 -0.21 0.05 0.00 0.70 0.00 0.00 55.95 56.36 1t2m s SER 38 Cb 0.04 0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.56 1t2m s SER 38 CO 0.80 -0.41 -0.19 -0.69 1.20 0.00 0.00 173.24 173.95 1t2m s VAL 39 N -2.43 1.56 0.31 4.45 1.01 -1.26 -0.80 120.40 123.24 1t2m s VAL 39 Ca 0.17 -0.81 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 1t2m s VAL 39 Cb 0.03 -1.32 -0.09 0.00 0.00 0.00 0.00 36.38 34.99 1t2m s VAL 39 CO -0.02 0.44 1.00 -0.69 0.00 0.00 0.00 175.10 175.84 1t2m s VAL 40 N -0.16 3.90 0.27 2.92 1.01 -0.53 -5.00 120.40 122.81 1t2m s VAL 40 Ca 0.00 1.70 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 1t2m s VAL 40 Cb -0.10 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 1t2m s VAL 40 CO 0.01 0.25 1.17 -0.54 0.00 0.00 0.00 175.10 176.00 1t2m s LYS 41 N -1.80 4.54 0.00 2.72 -0.14 -1.26 -3.16 119.74 120.64 1t2m s LYS 41 Ca 0.48 1.92 0.00 0.00 -1.36 0.00 0.00 55.97 57.02 1t2m s LYS 41 Cb -0.24 -3.17 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 1t2m s LYS 41 CO 0.31 0.05 0.00 0.41 -0.76 0.00 0.00 175.35 175.36 1t2m n GLY 42 N 1.30 1.81 0.00 -3.33 0.00 -1.26 -5.06 105.19 98.66 1t2m n GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.86 0.09 -0.02 0.00 -1.19 -4.87 105.19 95.34 1t2m n GLY 43 Ca 0.00 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.09 -1.01 4.61 0.00 -1.87 -3.09 119.26 115.82 1t2m h ALA 44 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1t2m h ALA 44 Cb 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1t2m h ALA 44 CO 0.00 -0.13 0.66 0.00 0.00 0.00 0.00 179.25 179.78 1t2m h ALA 45 N -0.39 1.34 -0.55 0.00 0.00 -1.92 0.19 119.26 117.93 1t2m h ALA 45 Ca -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1t2m h ALA 45 Cb 0.54 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1t2m h ALA 45 CO 0.02 0.56 0.34 0.22 0.00 0.00 0.00 179.25 180.38 1t2m h ASP 46 N 1.27 0.56 0.44 0.00 3.58 -1.80 -2.36 116.42 118.11 1t2m h ASP 46 Ca 0.40 -0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.65 1t2m h ASP 46 Cb 0.01 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1t2m h ASP 46 CO -0.13 0.39 -0.88 0.58 -2.88 0.00 0.00 179.24 176.33 1t2m h VAL 47 N 0.67 1.44 -0.95 2.25 2.07 -1.34 -3.22 116.25 117.18 1t2m h VAL 47 Ca 0.22 -2.47 0.10 0.00 0.82 0.00 0.00 66.70 65.36 1t2m h VAL 47 Cb -0.00 2.39 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 1t2m h VAL 47 CO -0.08 0.73 0.61 -0.78 0.02 0.00 0.00 177.57 178.06 1t2m h ASP 48 N 0.18 0.89 -1.78 0.57 1.82 -0.26 -3.46 116.42 114.38 1t2m h ASP 48 Ca -0.05 0.03 -0.31 0.00 -0.39 0.00 0.00 57.03 56.30 1t2m h ASP 48 Cb 1.50 -0.16 -0.05 0.00 0.68 0.00 0.00 39.33 41.30 1t2m h ASP 48 CO 0.14 0.52 -0.37 0.61 -1.61 0.00 0.00 179.24 178.53 1t2m n GLY 49 N -1.38 0.28 0.10 -0.78 0.00 -0.92 -4.89 105.19 97.59 1t2m n GLY 49 Ca 0.16 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.51 0.87 -4.67 1.61 5.12 -1.26 -5.03 116.66 110.79 1t2m n ARG 50 Ca -0.18 0.05 -0.30 0.00 -1.93 0.00 0.00 57.85 55.50 1t2m n ARG 50 Cb 0.60 -1.45 -0.09 0.00 -1.16 0.00 0.00 32.46 30.36 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 -5.75 2.35 0.00 0.55 0.05 -1.26 -5.07 118.68 109.54 1t2m s LEU 51 Ca -0.18 -1.58 -0.01 0.00 0.05 0.00 0.00 54.13 52.41 1t2m s LEU 51 Cb 0.06 -0.63 0.00 0.00 -2.05 0.00 0.00 46.19 43.58 1t2m s LEU 51 CO 0.64 -0.77 0.07 0.00 -0.55 0.00 0.00 176.35 175.75 1t2m n ALA 52 N -1.10 -0.15 -1.62 1.48 0.00 -1.26 -4.88 120.51 112.98 1t2m n ALA 52 Ca -0.13 -0.14 -0.33 0.00 0.00 0.00 0.00 53.44 52.84 1t2m n ALA 52 Cb 0.67 0.11 0.02 0.00 0.00 0.00 0.00 19.45 20.25 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 -1.27 2.61 -0.56 0.00 0.00 -1.26 -4.12 121.76 117.16 1t2m s ALA 53 Ca 0.02 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 1t2m s ALA 53 Cb -0.00 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 1t2m s ALA 53 CO 0.02 -0.99 0.47 0.41 0.00 0.00 0.00 175.76 175.66 1t2m n GLY 54 N -0.47 0.01 3.45 0.00 0.00 0.34 -4.90 105.19 103.62 1t2m n GLY 54 Ca 0.10 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.51 3.42 -0.31 1.61 1.11 -1.06 -3.98 116.67 113.94 1t2m s ASP 55 Ca 0.07 -1.04 -0.03 0.00 0.18 0.00 0.00 52.55 51.74 1t2m s ASP 55 Cb -0.01 -0.27 0.05 0.00 1.07 0.00 0.00 42.92 43.75 1t2m s ASP 55 CO 0.36 -0.01 0.03 -1.58 1.18 0.00 0.00 175.17 175.15 1t2m s GLN 56 N -3.54 2.47 -0.26 8.23 -0.44 -0.96 0.83 119.66 126.00 1t2m s GLN 56 Ca 0.29 -1.25 -0.24 0.00 -2.50 0.00 0.00 55.36 51.66 1t2m s GLN 56 Cb -0.04 -3.25 -0.00 0.00 -1.64 0.00 0.00 33.01 28.07 1t2m s GLN 56 CO 0.14 -0.63 0.80 -0.51 0.50 0.00 0.00 175.29 175.58 1t2m s LEU 57 N 1.29 4.08 -0.14 3.68 1.43 0.24 -0.92 118.68 128.33 1t2m s LEU 57 Ca -0.04 0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 53.85 1t2m s LEU 57 Cb -0.20 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 1t2m s LEU 57 CO -0.00 -0.53 -0.24 -0.11 0.23 0.00 0.00 176.35 175.70 1t2m n LEU 58 N 6.03 1.62 -4.43 1.79 0.00 -0.64 -2.39 117.00 118.98 1t2m n LEU 58 Ca 0.05 0.42 -0.25 0.00 0.00 0.00 0.00 56.01 56.22 1t2m n LEU 58 Cb 0.48 -0.76 -0.11 0.00 0.00 0.00 0.00 43.42 43.03 1t2m n LEU 58 CO 0.48 -0.38 -0.50 -0.44 0.00 0.00 0.00 177.39 176.54 1t2m s SER 59 N -5.55 3.41 -0.14 1.96 0.01 -1.26 -1.91 113.70 110.22 1t2m s SER 59 Ca -0.20 -0.94 -0.02 0.00 1.31 0.00 0.00 55.95 56.10 1t2m s SER 59 Cb 0.03 -0.26 0.05 0.00 0.21 0.00 0.00 66.02 66.04 1t2m s SER 59 CO 0.29 0.06 0.03 -0.69 0.41 0.00 0.00 173.24 173.34 1t2m s VAL 60 N -2.11 0.40 -1.71 3.43 1.01 0.95 -2.59 120.40 119.78 1t2m s VAL 60 Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1t2m s VAL 60 Cb -0.06 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1t2m s VAL 60 CO 0.12 -0.04 0.00 -0.67 0.00 0.00 0.00 175.10 174.51 1t2m n ASP 61 N 5.11 -4.96 0.00 3.32 -0.08 0.21 -2.25 116.55 117.91 1t2m n ASP 61 Ca -0.08 0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 1t2m n ASP 61 Cb 0.48 -3.90 0.00 0.00 2.34 0.00 0.00 41.12 40.04 1t2m n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1t2m n GLY 62 N -0.98 2.69 3.82 0.27 0.00 -1.25 -4.86 105.19 104.88 1t2m n GLY 62 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1t2m n GLY 62 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t2m s ARG 63 N -0.41 4.19 -0.23 1.61 1.70 -0.95 -5.03 118.95 119.82 1t2m s ARG 63 Ca 0.00 0.74 -0.17 0.00 -0.47 0.00 0.00 55.73 55.84 1t2m s ARG 63 Cb 0.00 -3.05 -0.03 0.00 -0.57 0.00 0.00 34.95 31.30 1t2m s ARG 63 CO 0.00 0.52 0.44 0.45 -1.08 0.00 0.00 175.30 175.63 1t2m s SER 64 N -1.44 6.42 -0.62 -2.89 0.15 -1.26 -0.03 113.70 114.02 1t2m s SER 64 Ca 0.36 0.50 -0.01 0.00 0.70 0.00 0.00 55.95 57.50 1t2m s SER 64 Cb -0.18 -2.25 0.45 0.00 -1.71 0.00 0.00 66.02 62.34 1t2m s SER 64 CO 0.20 -0.16 1.92 0.18 1.20 0.00 0.00 173.24 176.58 1t2m n LEU 65 N 4.94 7.32 -4.36 3.45 4.77 -0.80 -4.90 117.00 127.41 1t2m n LEU 65 Ca -0.07 -4.35 -0.45 0.00 -0.03 0.00 0.00 56.01 51.11 1t2m n LEU 65 Cb 0.51 -0.89 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 1t2m n LEU 65 CO 0.40 1.56 0.43 -0.69 -1.33 0.00 0.00 177.39 177.75 1t2m s VAL 66 N -4.79 5.02 0.00 4.08 1.01 -1.26 -4.17 120.40 120.30 1t2m s VAL 66 Ca 0.63 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1t2m s VAL 66 Cb 0.50 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1t2m s VAL 66 CO -0.00 -1.11 0.00 0.61 0.00 0.00 0.00 175.10 174.60 1t2m n GLY 67 N 5.06 1.18 3.28 4.51 0.00 -0.61 -4.61 105.19 114.00 1t2m n GLY 67 Ca -0.02 0.00 -0.17 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 1.55 0.44 0.99 1.43 -1.26 -4.84 118.68 117.00 1t2m s LEU 68 Ca 0.00 -1.58 0.02 0.00 -1.03 0.00 0.00 54.13 51.54 1t2m s LEU 68 Cb 0.00 0.38 0.00 0.00 0.03 0.00 0.00 46.19 46.60 1t2m s LEU 68 CO 0.00 -0.94 0.65 -0.44 0.23 0.00 0.00 176.35 175.85 1t2m s SER 69 N -3.31 5.75 0.48 2.29 0.01 -1.26 -4.73 113.70 112.93 1t2m s SER 69 Ca 0.38 0.11 0.19 0.00 1.31 0.00 0.00 55.95 57.95 1t2m s SER 69 Cb 0.05 -1.32 1.21 0.00 0.21 0.00 0.00 66.02 66.17 1t2m s SER 69 CO 0.19 -0.73 1.99 -0.61 0.41 0.00 0.00 173.24 174.50 1t2m h GLN 70 N 0.44 0.19 0.63 12.44 4.15 -1.97 -2.44 115.11 128.56 1t2m h GLN 70 Ca -0.45 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 58.93 1t2m h GLN 70 Cb 1.26 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.92 1t2m h GLN 70 CO 0.55 0.13 -0.30 0.93 -1.93 0.00 0.00 178.83 178.20 1t2m h GLU 71 N 0.20 -0.82 -0.44 1.69 3.07 -1.98 0.86 114.58 117.16 1t2m h GLU 71 Ca 0.26 0.06 0.08 0.00 -0.50 0.00 0.00 59.36 59.25 1t2m h GLU 71 Cb 0.74 0.19 -0.07 0.00 -0.84 0.00 0.00 28.75 28.77 1t2m h GLU 71 CO -0.04 -0.50 0.05 0.00 -1.40 0.00 0.00 179.01 177.11 1t2m h ARG 72 N -1.05 0.16 -0.10 2.33 2.47 -1.86 0.38 114.38 116.72 1t2m h ARG 72 Ca -0.09 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 1t2m h ARG 72 Cb 0.69 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.97 1t2m h ARG 72 CO 0.14 0.11 0.02 0.00 0.56 0.00 0.00 179.97 180.80 1t2m h ALA 73 N 1.36 0.13 -0.33 0.04 0.00 -1.47 -2.25 119.26 116.73 1t2m h ALA 73 Ca 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1t2m h ALA 73 Cb 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1t2m h ALA 73 CO -0.32 -0.23 0.18 0.00 0.00 0.00 0.00 179.25 178.89 1t2m h ALA 74 N 0.79 0.43 -0.02 0.00 0.00 -0.50 0.24 119.26 120.20 1t2m h ALA 74 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1t2m h ALA 74 Cb 0.28 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1t2m h ALA 74 CO 0.00 -0.05 0.02 1.49 0.00 0.00 0.00 179.25 180.71 1t2m h GLU 75 N 0.42 0.00 0.03 0.00 4.57 -0.23 -0.08 114.58 119.29 1t2m h GLU 75 Ca 0.12 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.09 1t2m h GLU 75 Cb 0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1t2m h GLU 75 CO -0.02 0.00 -1.13 -0.07 -1.18 0.00 0.00 179.01 176.61 1t2m h LEU 76 N 0.00 0.09 -1.86 1.64 3.38 -0.76 -3.23 115.31 114.57 1t2m h LEU 76 Ca 0.01 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1t2m h LEU 76 Cb 0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1t2m h LEU 76 CO -0.00 1.46 0.10 0.24 0.09 0.00 0.00 178.44 180.33 1t2m h MET 77 N -0.81 0.18 -0.01 1.13 2.86 -0.33 -1.20 114.93 116.75 1t2m h MET 77 Ca -0.29 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.18 1t2m h MET 77 Cb 1.38 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.98 1t2m h MET 77 CO -0.11 0.12 -0.73 0.00 1.06 0.00 0.00 176.91 177.25 1t2m h THR 78 N 0.19 1.48 -0.70 2.22 1.03 -1.16 -3.28 112.91 112.69 1t2m h THR 78 Ca 0.06 -2.40 -0.39 0.00 -0.01 0.00 0.00 66.41 63.67 1t2m h THR 78 Cb -0.00 2.29 -0.14 0.00 -1.07 0.00 0.00 68.15 69.23 1t2m h THR 78 CO -0.01 0.69 0.13 0.54 -0.01 0.00 0.00 175.52 176.86 1t2m n ARG 79 N -3.72 2.24 -3.37 0.00 5.12 -0.45 -4.92 116.66 111.56 1t2m n ARG 79 Ca -0.02 -1.87 -0.19 0.00 -1.93 0.00 0.00 57.85 53.84 1t2m n ARG 79 Cb 0.71 -2.07 -0.01 0.00 -1.16 0.00 0.00 32.46 29.92 1t2m n ARG 79 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1t2m s THR 80 N -1.18 2.99 0.00 0.55 -4.23 -1.24 -5.00 115.64 107.54 1t2m s THR 80 Ca 0.60 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1t2m s THR 80 Cb 0.36 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1t2m s THR 80 CO -0.14 -0.03 0.00 -0.24 -0.54 0.00 0.00 174.62 173.66 1t2m n SER 81 N -1.65 0.19 -0.24 3.99 2.88 -1.26 -4.99 113.62 112.53 1t2m n SER 81 Ca 0.04 -0.81 0.10 0.00 -1.33 0.00 0.00 58.87 56.87 1t2m n SER 81 Cb 0.60 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.43 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 0.00 0.66 -4.29 -3.46 4.64 -1.94 -3.40 113.55 105.76 1t2m h SER 82 Ca 0.00 0.03 -0.63 0.00 -0.47 0.00 0.00 61.79 60.72 1t2m h SER 82 Cb 0.00 -0.11 -0.30 0.00 -0.31 0.00 0.00 62.40 61.68 1t2m h SER 82 CO 0.00 0.37 -0.86 -0.69 -0.87 0.00 0.00 176.83 174.78 1t2m s VAL 83 N -5.68 1.75 0.01 0.95 1.01 -1.26 -1.99 120.40 115.18 1t2m s VAL 83 Ca -0.10 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 1t2m s VAL 83 Cb 0.21 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1t2m s VAL 83 CO 0.78 0.49 0.03 -0.69 0.00 0.00 0.00 175.10 175.71 1t2m s VAL 84 N -0.36 0.08 -0.53 2.92 1.01 -0.64 -5.00 120.40 117.88 1t2m s VAL 84 Ca 0.04 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 1t2m s VAL 84 Cb -0.10 -0.26 0.13 0.00 0.00 0.00 0.00 36.38 36.15 1t2m s VAL 84 CO 0.00 -0.36 0.46 -0.89 0.00 0.00 0.00 175.10 174.31 1t2m s THR 85 N -1.11 4.84 -0.12 3.92 2.01 -1.26 -1.32 115.64 122.61 1t2m s THR 85 Ca -0.12 -1.69 -0.03 0.00 0.31 0.00 0.00 61.69 60.16 1t2m s THR 85 Cb -0.07 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 1t2m s THR 85 CO -0.00 -0.85 0.01 -0.76 -0.69 0.00 0.00 174.62 172.33 1t2m s LEU 86 N 1.40 3.59 -0.36 4.42 2.01 -1.02 0.67 118.68 129.38 1t2m s LEU 86 Ca 0.05 0.09 0.01 0.00 0.01 0.00 0.00 54.13 54.30 1t2m s LEU 86 Cb -0.27 -1.84 0.10 0.00 0.01 0.00 0.00 46.19 44.18 1t2m s LEU 86 CO 0.01 0.31 0.09 -1.83 1.01 0.00 0.00 176.35 175.94 1t2m s GLU 87 N -0.45 1.75 0.36 1.70 1.03 -1.07 -1.54 118.70 120.48 1t2m s GLU 87 Ca 0.08 -1.80 0.07 0.00 0.03 0.00 0.00 54.97 53.35 1t2m s GLU 87 Cb -0.12 -3.33 -0.02 0.00 -0.80 0.00 0.00 34.13 29.87 1t2m s GLU 87 CO 0.02 -0.95 0.38 0.14 -1.33 0.00 0.00 175.26 173.52 1t2m s VAL 88 N 1.01 3.45 -0.22 1.83 -7.23 -0.09 -1.62 120.40 117.53 1t2m s VAL 88 Ca 0.08 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 1t2m s VAL 88 Cb -0.20 -3.19 0.05 0.00 0.56 0.00 0.00 36.38 33.59 1t2m s VAL 88 CO -0.06 -0.12 -0.12 0.00 -0.31 0.00 0.00 175.10 174.49 1t2m s ALA 89 N -2.31 2.25 0.04 1.32 0.00 -0.09 -0.00 121.76 122.97 1t2m s ALA 89 Ca 0.45 -1.42 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 1t2m s ALA 89 Cb -0.07 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 1t2m s ALA 89 CO 0.29 -0.90 1.03 -1.59 0.00 0.00 0.00 175.76 174.58 1t2m s LYS 90 N 1.28 4.56 0.00 0.00 -2.85 -0.90 -2.26 119.74 119.56 1t2m s LYS 90 Ca -0.03 1.51 0.00 0.00 -1.00 0.00 0.00 55.97 56.45 1t2m s LYS 90 Cb -0.17 -3.41 0.00 0.00 -2.06 0.00 0.00 37.83 32.19 1t2m s LYS 90 CO -0.08 -0.03 0.00 0.00 0.10 0.00 0.00 175.35 175.34 1t2m n GLN 91 N 3.60 0.00 0.00 1.78 10.64 -1.26 -2.80 117.38 129.35 1t2m n GLN 91 Ca 0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 1t2m n GLN 91 Cb 0.49 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.87 1t2m n GLN 91 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1t2m n GLY 92 N 0.00 1.70 0.00 2.61 0.00 -1.26 -4.91 105.19 103.33 1t2m n GLY 92 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.16 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32