#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 -3.44 -2.91 0.03 4.81 -1.26 -4.73 118.16 110.67 1t2m n LYS 2 Ca 0.00 2.72 -0.08 0.00 -0.87 0.00 0.00 58.31 60.08 1t2m n LYS 2 Cb 0.00 -4.38 0.01 0.00 0.02 0.00 0.00 35.03 30.68 1t2m n LYS 2 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1t2m n GLU 3 N 1.11 -2.25 -1.39 1.64 1.02 -1.26 -5.00 120.64 114.51 1t2m n GLU 3 Ca -0.23 2.02 -0.29 0.00 -0.02 0.00 0.00 57.16 58.64 1t2m n GLU 3 Cb 0.36 -5.54 0.13 0.00 -0.02 0.00 0.00 31.44 26.37 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 -2.66 1.27 -0.47 3.49 0.04 -1.26 -5.03 135.00 130.37 1t2m s PRO 4 Ca 0.23 0.55 -0.03 0.00 0.04 0.00 0.00 61.00 61.78 1t2m s PRO 4 Cb -0.06 -1.83 0.12 0.00 0.04 0.00 0.00 34.50 32.77 1t2m s PRO 4 CO 0.77 -2.17 0.27 -2.00 0.04 0.00 0.00 177.00 173.92 1t2m s GLU 5 N -5.10 2.16 -0.08 4.56 2.12 -1.26 -4.96 118.70 116.14 1t2m s GLU 5 Ca 0.63 -2.03 -0.24 0.00 0.36 0.00 0.00 54.97 53.69 1t2m s GLU 5 Cb -0.16 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 1t2m s GLU 5 CO 0.55 -1.10 0.75 0.42 -0.54 0.00 0.00 175.26 175.34 1t2m s ILE 6 N 0.79 5.00 -0.00 -3.70 1.01 -1.26 -1.43 121.20 121.62 1t2m s ILE 6 Ca 0.11 1.53 -0.09 0.00 0.00 0.00 0.00 60.65 62.20 1t2m s ILE 6 Cb -0.22 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.17 1t2m s ILE 6 CO -0.04 0.21 0.18 0.27 0.00 0.00 0.00 174.94 175.56 1t2m s ILE 7 N 1.04 0.07 -0.04 2.92 -4.36 0.24 -4.97 121.20 116.10 1t2m s ILE 7 Ca 0.39 -0.61 -0.00 0.00 -0.26 0.00 0.00 60.65 60.16 1t2m s ILE 7 Cb -0.18 -0.48 -0.04 0.00 1.25 0.00 0.00 42.46 43.02 1t2m s ILE 7 CO 0.18 -0.34 0.02 0.28 0.24 0.00 0.00 174.94 175.32 1t2m s THR 8 N -1.32 4.34 -0.02 8.37 -1.32 -1.26 0.12 115.64 124.55 1t2m s THR 8 Ca -0.14 -0.39 0.03 0.00 -1.21 0.00 0.00 61.69 59.98 1t2m s THR 8 Cb -0.07 -2.89 -0.00 0.00 -1.51 0.00 0.00 72.50 68.03 1t2m s THR 8 CO 0.02 0.48 -0.11 0.68 -2.21 0.00 0.00 174.62 173.49 1t2m s VAL 9 N -1.01 0.88 -0.41 5.08 -7.23 -0.93 -4.93 120.40 111.86 1t2m s VAL 9 Ca 0.17 -0.44 -0.24 0.00 -1.81 0.00 0.00 61.98 59.67 1t2m s VAL 9 Cb -0.12 -0.77 0.02 0.00 0.56 0.00 0.00 36.38 36.08 1t2m s VAL 9 CO 0.07 0.26 0.82 -0.89 -0.31 0.00 0.00 175.10 175.05 1t2m s THR 10 N 0.03 4.65 0.31 5.32 2.01 -1.26 -2.37 115.64 124.33 1t2m s THR 10 Ca -0.01 0.74 0.09 0.00 0.31 0.00 0.00 61.69 62.82 1t2m s THR 10 Cb -0.07 -4.29 -0.06 0.00 0.01 0.00 0.00 72.50 68.08 1t2m s THR 10 CO 0.00 -0.59 -0.09 -0.76 -0.69 0.00 0.00 174.62 172.49 1t2m s LEU 11 N 3.29 2.62 0.10 4.42 1.43 0.12 -4.94 118.68 125.73 1t2m s LEU 11 Ca 0.32 -1.18 0.09 0.00 -1.03 0.00 0.00 54.13 52.34 1t2m s LEU 11 Cb -0.12 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 1t2m s LEU 11 CO 0.20 -0.24 -0.24 -0.54 0.23 0.00 0.00 176.35 175.77 1t2m s LYS 12 N -3.65 1.33 -0.52 1.70 1.02 -1.26 -0.34 119.74 118.02 1t2m s LYS 12 Ca 0.31 -1.20 -0.25 0.00 0.02 0.00 0.00 55.97 54.85 1t2m s LYS 12 Cb 0.02 -1.66 0.04 0.00 -0.52 0.00 0.00 37.83 35.71 1t2m s LYS 12 CO 0.14 0.40 0.97 0.15 -0.92 0.00 0.00 175.35 176.09 1t2m s LYS 13 N -1.79 3.42 -1.02 1.68 1.02 -1.14 -4.71 119.74 117.20 1t2m s LYS 13 Ca 0.10 -0.05 -0.04 0.00 0.02 0.00 0.00 55.97 56.00 1t2m s LYS 13 Cb -0.10 -4.00 0.16 0.00 -0.52 0.00 0.00 37.83 33.37 1t2m s LYS 13 CO 0.04 -1.42 2.36 0.00 -0.92 0.00 0.00 175.35 175.41 1t2m n GLN 14 N 7.49 4.08 -3.66 1.68 0.00 -1.26 -4.70 117.38 121.00 1t2m n GLN 14 Ca 0.04 -3.41 -0.26 0.00 0.00 0.00 0.00 57.00 53.37 1t2m n GLN 14 Cb 0.48 -2.46 0.06 0.00 0.00 0.00 0.00 30.24 28.32 1t2m n GLN 14 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1t2m n ASN 15 N 1.02 -5.77 0.00 2.61 3.02 -1.26 -4.92 115.26 109.96 1t2m n ASN 15 Ca 0.56 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1t2m n ASN 15 Cb 0.32 -4.57 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 1t2m n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t2m n GLY 16 N -1.85 0.42 1.94 7.41 0.00 -1.26 -5.11 105.19 106.74 1t2m n GLY 16 Ca 0.01 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.21 0.00 -3.23 1.61 2.81 -1.26 -4.59 117.12 112.24 1t2m n MET 17 Ca 0.00 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.79 1t2m n MET 17 Cb 0.00 -0.01 0.03 0.00 -0.71 0.00 0.00 33.22 32.53 1t2m n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1t2m n GLY 18 N 1.63 -1.20 2.73 3.03 0.00 -1.26 -3.94 105.19 106.17 1t2m n GLY 18 Ca 0.00 0.52 -0.20 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.80 -0.04 -0.81 0.99 1.43 -1.26 -0.87 118.68 113.33 1t2m s LEU 19 Ca 0.21 -0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 52.71 1t2m s LEU 19 Cb -0.04 0.29 0.04 0.00 0.03 0.00 0.00 46.19 46.51 1t2m s LEU 19 CO 0.77 -0.34 1.29 -0.44 0.23 0.00 0.00 176.35 177.86 1t2m s SER 20 N 2.30 6.26 0.55 2.29 0.01 -0.27 -5.00 113.70 119.85 1t2m s SER 20 Ca 0.07 -0.81 0.07 0.00 1.31 0.00 0.00 55.95 56.59 1t2m s SER 20 Cb -0.16 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.60 1t2m s SER 20 CO -0.14 -1.69 0.76 0.27 0.41 0.00 0.00 173.24 172.85 1t2m s ILE 21 N 5.30 2.42 -0.26 1.44 -4.36 -1.26 0.34 121.20 124.80 1t2m s ILE 21 Ca 0.37 -0.91 -0.23 0.00 -0.26 0.00 0.00 60.65 59.61 1t2m s ILE 21 Cb -0.07 -2.50 0.07 0.00 1.25 0.00 0.00 42.46 41.21 1t2m s ILE 21 CO 0.07 0.00 0.70 0.54 0.24 0.00 0.00 174.94 176.49 1t2m s VAL 22 N -2.66 -0.00 -0.39 8.37 0.11 0.10 -4.77 120.40 121.16 1t2m s VAL 22 Ca 0.60 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.56 1t2m s VAL 22 Cb -0.07 -0.98 0.06 0.00 -1.53 0.00 0.00 36.38 33.86 1t2m s VAL 22 CO 0.38 0.00 0.21 0.00 -3.33 0.00 0.00 175.10 172.36 1t2m s ALA 23 N 0.52 3.23 0.36 1.54 0.00 -1.26 0.70 121.76 126.86 1t2m s ALA 23 Ca -0.01 -1.94 -0.02 0.00 0.00 0.00 0.00 51.96 49.99 1t2m s ALA 23 Cb -0.05 -2.55 0.01 0.00 0.00 0.00 0.00 23.12 20.53 1t2m s ALA 23 CO -0.02 -1.51 0.51 0.00 0.00 0.00 0.00 175.76 174.74 1t2m s ALA 24 N 1.45 0.79 0.45 0.00 0.00 -1.09 -4.70 121.76 118.65 1t2m s ALA 24 Ca 0.02 -1.54 0.05 0.00 0.00 0.00 0.00 51.96 50.48 1t2m s ALA 24 Cb -0.21 1.13 0.01 0.00 0.00 0.00 0.00 23.12 24.05 1t2m s ALA 24 CO 0.04 -0.80 0.63 0.21 0.00 0.00 0.00 175.76 175.83 1t2m s LYS 25 N -2.85 2.82 0.00 0.00 2.20 -1.26 -2.03 119.74 118.63 1t2m s LYS 25 Ca 0.30 -0.97 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 1t2m s LYS 25 Cb -0.01 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 1t2m s LYS 25 CO 0.21 -0.35 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 1t2m n GLY 26 N -1.99 4.42 3.71 5.54 0.00 -1.25 -5.00 105.19 110.63 1t2m n GLY 26 Ca 0.06 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.39 3.37 -1.53 4.61 0.00 -1.26 -4.37 121.76 121.19 1t2m s ALA 27 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1t2m s ALA 27 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.85 1t2m s ALA 27 CO 0.00 0.72 0.00 0.41 0.00 0.00 0.00 175.76 176.89 1t2m n GLY 28 N 0.55 1.38 2.77 0.00 0.00 -1.26 -4.90 105.19 103.72 1t2m n GLY 28 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.18 0.24 -0.22 1.61 -0.44 -1.26 -5.02 119.66 111.38 1t2m s GLN 29 Ca 0.00 0.19 0.05 0.00 -2.50 0.00 0.00 55.36 53.10 1t2m s GLN 29 Cb 0.00 -1.01 0.47 0.00 -1.64 0.00 0.00 33.01 30.83 1t2m s GLN 29 CO 0.00 -0.72 1.45 -3.47 0.50 0.00 0.00 175.29 173.05 1t2m n ASP 30 N 5.32 3.74 0.00 6.67 2.03 -1.26 -3.81 116.55 129.24 1t2m n ASP 30 Ca -0.05 -2.83 0.00 0.00 0.52 0.00 0.00 54.79 52.44 1t2m n ASP 30 Cb 0.49 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 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 -0.11 3.71 -3.71 -0.67 4.76 -1.26 -5.10 118.16 115.78 1t2m n LYS 31 Ca 0.29 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.43 1t2m n LYS 31 Cb 1.07 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 34.11 1t2m n LYS 31 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1t2m s LEU 32 N 0.00 2.11 0.37 -0.35 1.02 -1.26 -4.15 118.68 116.42 1t2m s LEU 32 Ca 0.00 -1.70 -0.08 0.00 0.02 0.00 0.00 54.13 52.37 1t2m s LEU 32 Cb 0.00 -0.83 -0.06 0.00 0.02 0.00 0.00 46.19 45.32 1t2m s LEU 32 CO 0.00 -0.40 0.69 -0.83 0.02 0.00 0.00 176.35 175.83 1t2m s GLY 33 N 1.55 1.90 -0.65 -3.19 0.00 -0.86 -3.63 107.32 102.43 1t2m s GLY 33 Ca 0.11 -0.34 -0.22 0.00 0.00 0.00 0.00 44.72 44.26 1t2m s GLY 33 CO -0.24 -0.18 0.93 -0.42 0.00 0.00 0.00 173.10 173.19 1t2m s ILE 34 N -2.28 4.39 0.32 0.90 -1.09 -0.91 -2.69 121.20 119.84 1t2m s ILE 34 Ca 0.48 -0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 58.39 1t2m s ILE 34 Cb -0.10 -4.66 -0.06 0.00 -1.58 0.00 0.00 42.46 36.06 1t2m s ILE 34 CO 0.31 -1.41 0.63 -0.31 -1.23 0.00 0.00 174.94 172.93 1t2m s TYR 35 N 3.88 3.46 -0.36 3.97 2.02 0.22 0.81 117.35 131.35 1t2m s TYR 35 Ca 0.21 0.83 -0.14 0.00 -0.37 0.00 0.00 57.07 57.60 1t2m s TYR 35 Cb -0.18 -2.25 -0.01 0.00 -0.40 0.00 0.00 41.96 39.13 1t2m s TYR 35 CO 0.10 0.09 0.26 0.08 -1.57 0.00 0.00 175.55 174.51 1t2m s VAL 36 N -2.14 5.28 -0.02 0.71 1.01 0.85 0.02 120.40 126.10 1t2m s VAL 36 Ca 0.47 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1t2m s VAL 36 Cb -0.11 -3.79 -0.33 0.00 0.00 0.00 0.00 36.38 32.16 1t2m s VAL 36 CO 0.29 -0.11 0.82 0.11 0.00 0.00 0.00 175.10 176.21 1t2m h LYS 37 N 8.54 0.44 -2.66 2.72 1.57 -0.42 0.61 116.57 127.37 1t2m h LYS 37 Ca -0.30 -0.74 0.11 0.00 -1.87 0.00 0.00 60.65 57.85 1t2m h LYS 37 Cb 1.15 0.28 -0.05 0.00 0.08 0.00 0.00 32.23 33.68 1t2m h LYS 37 CO 0.67 1.36 0.40 -1.12 -0.57 0.00 0.00 179.45 180.18 1t2m s SER 38 N -7.36 -0.13 0.04 0.86 0.01 -1.10 -4.21 113.70 101.81 1t2m s SER 38 Ca -0.13 -0.64 0.01 0.00 1.31 0.00 0.00 55.95 56.50 1t2m s SER 38 Cb 0.04 0.62 -0.03 0.00 0.21 0.00 0.00 66.02 66.86 1t2m s SER 38 CO 0.88 -1.18 -0.06 -0.69 0.41 0.00 0.00 173.24 172.61 1t2m s VAL 39 N -3.06 0.41 -0.09 3.43 1.01 -1.26 -1.11 120.40 119.72 1t2m s VAL 39 Ca 0.14 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 1t2m s VAL 39 Cb -0.03 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1t2m s VAL 39 CO 0.06 -0.53 0.11 -0.69 0.00 0.00 0.00 175.10 174.05 1t2m s VAL 40 N -1.88 5.21 -0.26 2.92 1.01 -0.05 -4.98 120.40 122.37 1t2m s VAL 40 Ca -0.08 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 1t2m s VAL 40 Cb -0.07 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1t2m s VAL 40 CO -0.01 0.57 2.05 -0.75 0.00 0.00 0.00 175.10 176.96 1t2m s LYS 41 N -1.14 3.21 0.00 2.72 2.47 -1.26 -2.17 119.74 123.57 1t2m s LYS 41 Ca 0.16 1.78 0.00 0.00 -1.56 0.00 0.00 55.97 56.36 1t2m s LYS 41 Cb -0.12 -4.30 0.00 0.00 -1.46 0.00 0.00 37.83 31.95 1t2m s LYS 41 CO 0.06 -2.01 0.00 0.41 0.16 0.00 0.00 175.35 173.97 1t2m n GLY 42 N 5.63 1.30 3.70 5.54 0.00 -1.26 -5.09 105.19 115.00 1t2m n GLY 42 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 1t2m n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t2m s GLY 43 N -0.85 1.69 0.12 -0.02 0.00 -0.92 -4.65 107.32 102.68 1t2m s GLY 43 Ca 0.00 0.52 -0.28 0.00 0.00 0.00 0.00 44.72 44.96 1t2m s GLY 43 CO 0.00 0.92 1.62 0.00 0.00 0.00 0.00 173.10 175.64 1t2m h ALA 44 N -1.69 -0.54 -0.32 3.20 0.00 -1.81 0.16 119.26 118.26 1t2m h ALA 44 Ca -0.43 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1t2m h ALA 44 Cb 1.26 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 1t2m h ALA 44 CO 0.44 -0.86 0.22 0.00 0.00 0.00 0.00 179.25 179.04 1t2m h ALA 45 N 0.13 1.94 0.25 0.00 0.00 -1.92 0.20 119.26 119.86 1t2m h ALA 45 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1t2m h ALA 45 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1t2m h ALA 45 CO -0.21 0.01 -0.12 0.22 0.00 0.00 0.00 179.25 179.15 1t2m h ASP 46 N 0.29 -0.28 -0.26 0.00 3.58 -1.58 -1.00 116.42 117.16 1t2m h ASP 46 Ca 0.14 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.32 1t2m h ASP 46 Cb 0.19 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1t2m h ASP 46 CO -0.03 0.19 0.09 0.58 -2.88 0.00 0.00 179.24 177.19 1t2m h VAL 47 N -0.87 1.19 -0.26 2.25 2.07 -0.49 -2.85 116.25 117.29 1t2m h VAL 47 Ca -0.03 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1t2m h VAL 47 Cb 0.51 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1t2m h VAL 47 CO 0.06 0.19 -0.02 -0.78 0.02 0.00 0.00 177.57 177.03 1t2m h ASP 48 N 0.26 0.37 -3.62 0.57 1.82 -0.72 -3.47 116.42 111.63 1t2m h ASP 48 Ca 0.08 -0.06 -0.28 0.00 -0.39 0.00 0.00 57.03 56.38 1t2m h ASP 48 Cb 0.21 -0.10 0.06 0.00 0.68 0.00 0.00 39.33 40.19 1t2m h ASP 48 CO -0.00 0.45 -0.44 0.61 -1.61 0.00 0.00 179.24 178.25 1t2m n GLY 49 N -0.96 -0.12 0.09 -0.78 0.00 -0.38 -4.93 105.19 98.10 1t2m n GLY 49 Ca 0.01 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.29 0.09 -4.86 1.61 2.47 -1.87 -3.48 114.38 107.05 1t2m h ARG 50 Ca -0.38 -0.16 -0.42 0.00 -1.26 0.00 0.00 59.98 57.77 1t2m h ARG 50 Cb 1.25 0.06 -0.14 0.00 -1.65 0.00 0.00 29.97 29.49 1t2m h ARG 50 CO 0.39 0.88 -0.54 -0.48 0.56 0.00 0.00 179.97 180.78 1t2m s LEU 51 N -6.61 1.65 0.00 3.04 2.34 -1.26 -5.10 118.68 112.74 1t2m s LEU 51 Ca -0.05 -1.60 0.01 0.00 0.06 0.00 0.00 54.13 52.55 1t2m s LEU 51 Cb 0.08 0.30 -0.00 0.00 -0.56 0.00 0.00 46.19 46.00 1t2m s LEU 51 CO 0.83 -0.93 0.03 0.00 -1.06 0.00 0.00 176.35 175.22 1t2m n ALA 52 N -0.58 0.07 -1.77 1.48 0.00 -1.26 -4.83 120.51 113.62 1t2m n ALA 52 Ca 0.02 -0.21 -0.35 0.00 0.00 0.00 0.00 53.44 52.90 1t2m n ALA 52 Cb 0.64 0.17 -0.00 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 -2.11 2.72 -0.59 0.00 0.00 -1.26 -3.98 121.76 116.55 1t2m s ALA 53 Ca 0.04 0.82 -0.00 0.00 0.00 0.00 0.00 51.96 52.82 1t2m s ALA 53 Cb 0.00 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 1t2m s ALA 53 CO 0.03 -0.74 0.49 0.41 0.00 0.00 0.00 175.76 175.96 1t2m n GLY 54 N 0.16 0.03 3.71 0.00 0.00 0.21 -4.89 105.19 104.41 1t2m n GLY 54 Ca 0.11 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.63 3.99 -0.02 1.61 1.01 -1.08 -2.92 116.67 115.64 1t2m s ASP 55 Ca 0.02 -1.58 0.04 0.00 0.71 0.00 0.00 52.55 51.74 1t2m s ASP 55 Cb -0.00 0.29 -0.01 0.00 1.01 0.00 0.00 42.92 44.21 1t2m s ASP 55 CO 0.36 -0.75 -0.14 -1.58 0.21 0.00 0.00 175.17 173.27 1t2m s GLN 56 N -3.83 1.24 -0.06 8.23 -0.44 -1.08 -0.11 119.66 123.62 1t2m s GLN 56 Ca 0.14 -0.52 0.06 0.00 -2.50 0.00 0.00 55.36 52.54 1t2m s GLN 56 Cb 0.04 -1.18 -0.01 0.00 -1.64 0.00 0.00 33.01 30.22 1t2m s GLN 56 CO 0.07 0.29 -0.24 -0.51 0.50 0.00 0.00 175.29 175.40 1t2m s LEU 57 N -0.25 2.12 -0.16 3.68 1.02 0.24 0.11 118.68 125.44 1t2m s LEU 57 Ca 0.04 -0.49 -0.16 0.00 0.02 0.00 0.00 54.13 53.53 1t2m s LEU 57 Cb -0.07 -1.39 -0.06 0.00 0.02 0.00 0.00 46.19 44.70 1t2m s LEU 57 CO -0.00 0.25 -0.32 0.18 0.02 0.00 0.00 176.35 176.48 1t2m n LEU 58 N 2.92 1.87 -4.57 1.79 4.32 0.56 -2.15 117.00 121.75 1t2m n LEU 58 Ca -0.17 0.31 -0.25 0.00 -0.02 0.00 0.00 56.01 55.88 1t2m n LEU 58 Cb 0.52 -0.71 -0.09 0.00 -1.62 0.00 0.00 43.42 41.52 1t2m n LEU 58 CO 0.25 -0.27 -0.37 -0.44 -1.22 0.00 0.00 177.39 175.35 1t2m s SER 59 N -5.98 3.96 -0.09 -1.43 0.01 -1.26 -1.31 113.70 107.61 1t2m s SER 59 Ca -0.27 -1.02 -0.06 0.00 1.31 0.00 0.00 55.95 55.91 1t2m s SER 59 Cb 0.04 -0.46 0.03 0.00 0.21 0.00 0.00 66.02 65.84 1t2m s SER 59 CO 0.40 -0.14 0.22 -0.69 0.41 0.00 0.00 173.24 173.43 1t2m s VAL 60 N -2.52 -0.02 -1.36 3.43 1.01 -0.45 -1.58 120.40 118.91 1t2m s VAL 60 Ca 0.33 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 1t2m s VAL 60 Cb -0.01 -0.32 0.14 0.00 0.00 0.00 0.00 36.38 36.19 1t2m s VAL 60 CO 0.18 0.02 0.51 -0.90 0.00 0.00 0.00 175.10 174.91 1t2m n ASP 61 N 3.42 -2.56 -1.41 3.32 5.75 -0.23 -0.24 116.55 124.60 1t2m n ASP 61 Ca -0.17 -0.66 -0.07 0.00 -0.01 0.00 0.00 54.79 53.88 1t2m n ASP 61 Cb 0.56 -2.17 0.02 0.00 -1.03 0.00 0.00 41.12 38.50 1t2m n ASP 61 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1t2m n GLY 62 N -1.07 0.50 3.07 6.12 0.00 -1.25 -4.83 105.19 107.73 1t2m n GLY 62 Ca 0.05 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.31 0.53 -0.10 1.61 0.52 0.67 -5.14 118.95 111.73 1t2m s ARG 63 Ca 0.16 -0.96 -0.23 0.00 -0.52 0.00 0.00 55.73 54.18 1t2m s ARG 63 Cb -0.07 0.19 -0.03 0.00 0.52 0.00 0.00 34.95 35.56 1t2m s ARG 63 CO 0.21 -0.11 0.71 -1.12 0.02 0.00 0.00 175.30 175.02 1t2m s SER 64 N -2.37 6.95 -0.19 0.23 0.01 -1.26 -1.34 113.70 115.73 1t2m s SER 64 Ca -0.02 1.15 0.22 0.00 1.31 0.00 0.00 55.95 58.62 1t2m s SER 64 Cb 0.01 -2.41 0.48 0.00 0.21 0.00 0.00 66.02 64.31 1t2m s SER 64 CO -0.07 -0.18 1.14 0.18 0.41 0.00 0.00 173.24 174.72 1t2m n LEU 65 N 4.13 1.70 -2.39 2.44 4.32 -0.43 -4.88 117.00 121.90 1t2m n LEU 65 Ca -0.00 -2.90 -0.29 0.00 -0.02 0.00 0.00 56.01 52.79 1t2m n LEU 65 Cb 0.51 0.26 0.02 0.00 -1.62 0.00 0.00 43.42 42.59 1t2m n LEU 65 CO 0.47 0.98 0.58 0.55 -1.22 0.00 0.00 177.39 178.75 1t2m n VAL 66 N -0.33 2.79 0.00 4.08 3.14 -1.17 -4.35 118.33 122.49 1t2m n VAL 66 Ca 0.10 -4.34 0.00 0.00 -2.96 0.00 0.00 64.34 57.14 1t2m n VAL 66 Cb 0.90 -1.21 0.00 0.00 -1.06 0.00 0.00 33.84 32.47 1t2m n VAL 66 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1t2m n GLY 67 N -0.62 0.00 3.36 7.55 0.00 -1.24 -4.24 105.19 109.99 1t2m n GLY 67 Ca 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 0.81 0.90 0.99 0.05 -1.25 -4.86 118.68 115.32 1t2m s LEU 68 Ca 0.00 -1.20 -0.12 0.00 0.05 0.00 0.00 54.13 52.85 1t2m s LEU 68 Cb 0.00 0.95 0.18 0.00 -2.05 0.00 0.00 46.19 45.26 1t2m s LEU 68 CO 0.00 -0.96 1.24 -0.55 -0.55 0.00 0.00 176.35 175.53 1t2m s SER 69 N -3.10 3.47 0.36 1.48 0.15 -1.26 -4.60 113.70 110.19 1t2m s SER 69 Ca 0.32 0.17 0.05 0.00 0.70 0.00 0.00 55.95 57.19 1t2m s SER 69 Cb 0.04 -0.31 0.67 0.00 -1.71 0.00 0.00 66.02 64.71 1t2m s SER 69 CO 0.11 -2.49 1.91 -0.61 1.20 0.00 0.00 173.24 173.35 1t2m h GLN 70 N -1.37 0.49 0.01 5.44 4.15 -1.96 -2.58 115.11 119.29 1t2m h GLN 70 Ca -0.43 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 58.91 1t2m h GLN 70 Cb 1.25 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1t2m h GLN 70 CO 0.40 0.50 -0.06 1.49 -1.93 0.00 0.00 178.83 179.22 1t2m h GLU 71 N 0.47 -0.11 -0.61 1.69 4.81 -1.98 0.31 114.58 119.15 1t2m h GLU 71 Ca 0.11 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1t2m h GLU 71 Cb 0.27 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1t2m h GLU 71 CO 0.00 -0.08 0.28 0.00 -0.73 0.00 0.00 179.01 178.49 1t2m h ARG 72 N -0.12 0.89 0.27 1.92 2.47 -1.90 0.24 114.38 118.16 1t2m h ARG 72 Ca 0.02 -0.14 -0.01 0.00 -1.26 0.00 0.00 59.98 58.59 1t2m h ARG 72 Cb 0.15 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1t2m h ARG 72 CO -0.06 0.73 -0.13 0.00 0.56 0.00 0.00 179.97 181.06 1t2m h ALA 73 N 1.12 -0.37 -0.60 0.04 0.00 -1.22 -1.53 119.26 116.69 1t2m h ALA 73 Ca 0.21 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1t2m h ALA 73 Cb 0.14 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1t2m h ALA 73 CO -0.02 -0.53 0.40 0.00 0.00 0.00 0.00 179.25 179.09 1t2m h ALA 74 N -0.13 1.63 0.00 0.00 0.00 -0.40 -0.54 119.26 119.82 1t2m h ALA 74 Ca -0.04 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1t2m h ALA 74 Cb 0.49 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1t2m h ALA 74 CO 0.06 0.32 -0.46 1.49 0.00 0.00 0.00 179.25 180.65 1t2m h GLU 75 N 0.75 0.00 0.17 0.00 4.57 -0.89 -2.40 114.58 116.78 1t2m h GLU 75 Ca 0.23 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 58.11 1t2m h GLU 75 Cb 0.01 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1t2m h GLU 75 CO -0.06 0.46 -1.32 -0.07 -1.18 0.00 0.00 179.01 176.84 1t2m h LEU 76 N 0.00 0.66 -0.96 1.64 3.38 -0.13 -3.11 115.31 116.79 1t2m h LEU 76 Ca -0.00 -0.68 -0.10 0.00 0.09 0.00 0.00 57.88 57.18 1t2m h LEU 76 Cb 0.85 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1t2m h LEU 76 CO 0.06 1.53 -0.40 0.24 0.09 0.00 0.00 178.44 179.96 1t2m h MET 77 N 0.14 0.24 -0.00 1.13 2.86 -1.08 -2.94 114.93 115.27 1t2m h MET 77 Ca -0.19 -0.11 -0.15 0.00 -2.06 0.00 0.00 59.70 57.20 1t2m h MET 77 Cb 2.03 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.66 1t2m h MET 77 CO 0.24 0.60 -0.69 0.00 1.06 0.00 0.00 176.91 178.12 1t2m h THR 78 N 0.20 1.49 -0.91 2.22 1.03 -1.51 -3.23 112.91 112.20 1t2m h THR 78 Ca 0.02 -2.35 -0.49 0.00 -0.01 0.00 0.00 66.41 63.58 1t2m h THR 78 Cb 0.80 2.27 -0.19 0.00 -1.07 0.00 0.00 68.15 69.96 1t2m h THR 78 CO 0.06 0.67 0.55 -2.11 -0.01 0.00 0.00 175.52 174.69 1t2m n ARG 79 N -3.73 2.25 -3.96 0.00 1.85 -1.11 -4.95 116.66 107.02 1t2m n ARG 79 Ca -0.01 -2.31 -0.21 0.00 -1.00 0.00 0.00 57.85 54.32 1t2m n ARG 79 Cb 0.68 -1.97 -0.03 0.00 -1.05 0.00 0.00 32.46 30.09 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 -2.98 4.65 0.00 8.89 -4.23 -1.22 -5.00 115.64 115.74 1t2m s THR 80 Ca 0.48 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1t2m s THR 80 Cb 0.36 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1t2m s THR 80 CO -0.12 -0.30 0.00 -1.54 -0.54 0.00 0.00 174.62 172.12 1t2m n SER 81 N -1.34 0.00 -0.33 3.99 3.41 -1.26 -4.98 113.62 113.10 1t2m n SER 81 Ca -0.07 -0.65 0.08 0.00 -0.26 0.00 0.00 58.87 57.97 1t2m n SER 81 Cb 0.58 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.79 1t2m n SER 81 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1t2m h SER 82 N 0.00 0.87 -3.00 4.04 0.87 -1.95 -3.41 113.55 110.96 1t2m h SER 82 Ca 0.00 0.04 -0.67 0.00 -1.23 0.00 0.00 61.79 59.93 1t2m h SER 82 Cb 0.00 -0.14 -0.10 0.00 -0.44 0.00 0.00 62.40 61.72 1t2m h SER 82 CO 0.00 0.48 -0.55 -0.69 -0.53 0.00 0.00 176.83 175.54 1t2m s VAL 83 N -5.89 4.90 -0.06 2.23 1.01 -1.26 -2.87 120.40 118.45 1t2m s VAL 83 Ca -0.11 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 1t2m s VAL 83 Cb 0.22 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.46 1t2m s VAL 83 CO 0.80 0.51 0.20 -0.69 0.00 0.00 0.00 175.10 175.93 1t2m s VAL 84 N -1.06 0.02 -0.22 2.92 1.01 0.54 -4.94 120.40 118.66 1t2m s VAL 84 Ca 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1t2m s VAL 84 Cb -0.12 -0.33 0.05 0.00 0.00 0.00 0.00 36.38 35.98 1t2m s VAL 84 CO 0.07 -0.08 -0.10 -0.89 0.00 0.00 0.00 175.10 174.11 1t2m s THR 85 N -0.21 1.79 -0.23 3.92 2.01 -1.26 0.16 115.64 121.81 1t2m s THR 85 Ca -0.03 -1.23 -0.05 0.00 0.31 0.00 0.00 61.69 60.69 1t2m s THR 85 Cb -0.03 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 1t2m s THR 85 CO 0.01 0.08 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.24 1t2m s LEU 86 N 1.31 3.09 -1.13 4.42 1.02 -1.00 -1.06 118.68 125.32 1t2m s LEU 86 Ca -0.04 -0.38 -0.20 0.00 0.02 0.00 0.00 54.13 53.53 1t2m s LEU 86 Cb -0.18 -1.79 0.07 0.00 0.02 0.00 0.00 46.19 44.32 1t2m s LEU 86 CO -0.07 -0.04 1.54 -0.70 0.02 0.00 0.00 176.35 177.10 1t2m s GLU 87 N 1.51 3.78 0.86 1.70 2.12 -0.61 -2.18 118.70 125.88 1t2m s GLU 87 Ca 0.06 -1.61 -0.13 0.00 0.36 0.00 0.00 54.97 53.64 1t2m s GLU 87 Cb -0.15 -5.37 0.12 0.00 0.26 0.00 0.00 34.13 28.99 1t2m s GLU 87 CO -0.01 -2.16 1.23 0.14 -0.54 0.00 0.00 175.26 173.91 1t2m s VAL 88 N 4.27 2.01 -0.08 3.70 -7.23 0.33 -0.32 120.40 123.08 1t2m s VAL 88 Ca 0.48 -0.02 -0.03 0.00 -1.81 0.00 0.00 61.98 60.60 1t2m s VAL 88 Cb 0.01 -3.00 0.04 0.00 0.56 0.00 0.00 36.38 34.00 1t2m s VAL 88 CO -0.02 0.00 0.16 0.00 -0.31 0.00 0.00 175.10 174.93 1t2m s ALA 89 N -3.68 -0.24 -0.92 1.32 0.00 0.30 0.80 121.76 119.33 1t2m s ALA 89 Ca 0.66 0.65 -0.25 0.00 0.00 0.00 0.00 51.96 53.03 1t2m s ALA 89 Cb -0.08 -0.62 -0.09 0.00 0.00 0.00 0.00 23.12 22.33 1t2m s ALA 89 CO 0.50 -0.33 2.08 0.15 0.00 0.00 0.00 175.76 178.17 1t2m s LYS 90 N 1.64 2.18 0.00 0.00 -0.14 -0.51 -2.62 119.74 120.28 1t2m s LYS 90 Ca -0.04 -0.21 0.00 0.00 -1.36 0.00 0.00 55.97 54.36 1t2m s LYS 90 Cb -0.12 -5.01 0.00 0.00 -1.68 0.00 0.00 37.83 31.03 1t2m s LYS 90 CO -0.06 -3.92 0.00 0.94 -0.76 0.00 0.00 175.35 171.55 1t2m n GLN 91 N 8.72 1.90 0.00 1.68 7.27 -1.25 -4.18 117.38 131.50 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 4.71 0.00 1.69 0.00 -1.15 -4.76 105.19 110.68 1t2m n GLY 92 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32