#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 3.62 -0.52 0.03 2.36 -1.26 -5.00 119.74 118.98 1t2m s LYS 2 Ca 0.00 0.28 -0.02 0.00 -2.55 0.00 0.00 55.97 53.69 1t2m s LYS 2 Cb 0.00 -3.89 0.14 0.00 -1.05 0.00 0.00 37.83 33.03 1t2m s LYS 2 CO 0.00 -1.15 0.31 -1.21 1.55 0.00 0.00 175.35 174.86 1t2m s GLU 3 N 3.69 2.23 0.99 4.03 0.41 -1.26 -5.10 118.70 123.69 1t2m s GLU 3 Ca 0.37 -2.25 -0.12 0.00 -0.41 0.00 0.00 54.97 52.56 1t2m s GLU 3 Cb -0.11 -3.60 0.15 0.00 -1.78 0.00 0.00 34.13 28.79 1t2m s GLU 3 CO 0.24 -1.12 0.86 -2.30 -0.49 0.00 0.00 175.26 172.46 1t2m n PRO 4 N 3.88 -0.90 -3.30 0.39 -0.02 -1.26 -4.96 135.00 128.83 1t2m n PRO 4 Ca 0.04 -0.21 -0.46 0.00 -2.02 0.00 0.00 63.50 60.84 1t2m n PRO 4 Cb 0.39 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1t2m n PRO 4 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1t2m s GLU 5 N -4.27 3.37 -0.14 -0.52 2.12 -1.22 -4.93 118.70 113.10 1t2m s GLU 5 Ca 0.64 -2.14 -0.20 0.00 0.36 0.00 0.00 54.97 53.63 1t2m s GLU 5 Cb -0.22 -4.39 -0.03 0.00 0.26 0.00 0.00 34.13 29.74 1t2m s GLU 5 CO 0.62 -1.33 0.56 0.42 -0.54 0.00 0.00 175.26 175.00 1t2m s ILE 6 N 0.82 5.11 0.00 -3.70 1.01 -1.26 -1.11 121.20 122.08 1t2m s ILE 6 Ca 0.13 1.10 -0.02 0.00 0.00 0.00 0.00 60.65 61.85 1t2m s ILE 6 Cb -0.17 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 1t2m s ILE 6 CO -0.04 0.23 0.04 0.27 0.00 0.00 0.00 174.94 175.44 1t2m s ILE 7 N 1.16 0.07 0.01 2.92 -4.36 0.46 -4.95 121.20 116.52 1t2m s ILE 7 Ca 0.28 -0.57 -0.01 0.00 -0.26 0.00 0.00 60.65 60.10 1t2m s ILE 7 Cb -0.16 -0.25 -0.04 0.00 1.25 0.00 0.00 42.46 43.26 1t2m s ILE 7 CO 0.12 -0.31 0.16 0.28 0.24 0.00 0.00 174.94 175.42 1t2m s THR 8 N -0.97 5.18 -0.09 8.37 -1.32 -1.26 0.85 115.64 126.41 1t2m s THR 8 Ca -0.11 -0.32 0.03 0.00 -1.21 0.00 0.00 61.69 60.08 1t2m s THR 8 Cb -0.06 -3.44 0.01 0.00 -1.51 0.00 0.00 72.50 67.49 1t2m s THR 8 CO -0.00 0.27 -0.17 0.68 -2.21 0.00 0.00 174.62 173.19 1t2m s VAL 9 N -1.34 1.53 -0.61 5.08 -7.23 -0.80 -4.90 120.40 112.13 1t2m s VAL 9 Ca 0.28 -0.70 -0.23 0.00 -1.81 0.00 0.00 61.98 59.52 1t2m s VAL 9 Cb -0.13 -1.36 0.06 0.00 0.56 0.00 0.00 36.38 35.51 1t2m s VAL 9 CO 0.20 0.44 0.94 -0.89 -0.31 0.00 0.00 175.10 175.48 1t2m s THR 10 N 0.64 4.38 0.32 5.32 2.01 -1.26 -2.42 115.64 124.62 1t2m s THR 10 Ca -0.14 -0.13 0.06 0.00 0.31 0.00 0.00 61.69 61.79 1t2m s THR 10 Cb -0.16 -4.61 -0.06 0.00 0.01 0.00 0.00 72.50 67.68 1t2m s THR 10 CO 0.04 -1.29 -0.01 -0.76 -0.69 0.00 0.00 174.62 171.91 1t2m s LEU 11 N 3.94 2.48 0.36 4.42 1.02 -0.41 -4.92 118.68 125.57 1t2m s LEU 11 Ca 0.25 -1.28 0.04 0.00 0.02 0.00 0.00 54.13 53.16 1t2m s LEU 11 Cb -0.15 -0.63 -0.06 0.00 0.02 0.00 0.00 46.19 45.36 1t2m s LEU 11 CO 0.14 -0.44 0.05 -0.54 0.02 0.00 0.00 176.35 175.58 1t2m s LYS 12 N -3.77 1.76 -0.78 1.70 1.02 -1.26 -0.52 119.74 117.90 1t2m s LYS 12 Ca 0.33 -2.00 -0.25 0.00 0.02 0.00 0.00 55.97 54.07 1t2m s LYS 12 Cb 0.06 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.27 1t2m s LYS 12 CO 0.14 -0.18 1.95 0.15 -0.92 0.00 0.00 175.35 176.49 1t2m s LYS 13 N -3.84 2.53 -1.02 1.68 1.02 -1.25 -4.83 119.74 114.03 1t2m s LYS 13 Ca 0.34 0.13 -0.09 0.00 0.02 0.00 0.00 55.97 56.37 1t2m s LYS 13 Cb 0.08 -4.79 0.26 0.00 -0.52 0.00 0.00 37.83 32.86 1t2m s LYS 13 CO 0.16 -3.18 0.99 -1.14 -0.92 0.00 0.00 175.35 171.26 1t2m s GLN 14 N 7.14 3.93 -1.48 1.68 -0.44 -1.26 -4.62 119.66 124.61 1t2m s GLN 14 Ca 0.71 -3.10 -0.07 0.00 -2.50 0.00 0.00 55.36 50.40 1t2m s GLN 14 Cb -0.09 -4.42 0.02 0.00 -1.64 0.00 0.00 33.01 26.88 1t2m s GLN 14 CO 0.08 -1.25 0.69 -1.71 0.50 0.00 0.00 175.29 173.60 1t2m n ASN 15 N 2.85 -5.66 0.00 6.67 2.85 -1.26 -3.40 115.26 117.31 1t2m n ASN 15 Ca 0.22 -0.37 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 1t2m n ASN 15 Cb 0.40 -4.56 0.00 0.00 1.24 0.00 0.00 39.78 36.86 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 -1.54 1.02 0.00 8.20 0.00 -1.26 -4.88 105.19 106.73 1t2m n GLY 16 Ca -0.07 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1t2m n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1t2m n MET 17 N 1.31 0.00 -1.84 1.61 2.81 -1.26 -2.90 117.12 116.85 1t2m n MET 17 Ca 0.00 0.22 -0.01 0.00 -1.81 0.00 0.00 57.70 56.10 1t2m n MET 17 Cb 0.00 -0.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 1t2m n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1t2m n GLY 18 N 2.02 -0.18 2.91 3.03 0.00 -1.26 -3.08 105.19 108.64 1t2m n GLY 18 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.77 -0.21 -0.84 0.99 1.02 -1.26 0.13 118.68 115.74 1t2m s LEU 19 Ca 0.03 0.36 -0.25 0.00 0.02 0.00 0.00 54.13 54.29 1t2m s LEU 19 Cb -0.00 0.54 0.04 0.00 0.02 0.00 0.00 46.19 46.79 1t2m s LEU 19 CO 0.16 -0.26 1.32 -0.44 0.02 0.00 0.00 176.35 177.15 1t2m s SER 20 N 2.37 6.29 0.52 2.29 0.01 -0.60 -4.99 113.70 119.59 1t2m s SER 20 Ca 0.03 -0.86 0.08 0.00 1.31 0.00 0.00 55.95 56.51 1t2m s SER 20 Cb -0.13 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.59 1t2m s SER 20 CO -0.09 -1.69 0.54 0.27 0.41 0.00 0.00 173.24 172.69 1t2m s ILE 21 N 5.32 2.15 -0.20 1.44 -4.36 -1.26 -0.71 121.20 123.58 1t2m s ILE 21 Ca 0.38 -1.26 -0.21 0.00 -0.26 0.00 0.00 60.65 59.31 1t2m s ILE 21 Cb -0.06 -2.40 0.06 0.00 1.25 0.00 0.00 42.46 41.31 1t2m s ILE 21 CO 0.06 0.00 0.58 0.54 0.24 0.00 0.00 174.94 176.36 1t2m s VAL 22 N -2.64 0.00 -0.78 8.37 0.11 0.20 -4.87 120.40 120.78 1t2m s VAL 22 Ca 0.48 -0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.35 1t2m s VAL 22 Cb -0.04 -0.82 0.17 0.00 -1.53 0.00 0.00 36.38 34.15 1t2m s VAL 22 CO 0.30 -0.01 0.83 0.00 -3.33 0.00 0.00 175.10 172.88 1t2m s ALA 23 N 0.12 3.73 0.47 1.54 0.00 -1.26 0.60 121.76 126.96 1t2m s ALA 23 Ca -0.01 -2.90 0.02 0.00 0.00 0.00 0.00 51.96 49.07 1t2m s ALA 23 Cb -0.04 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1t2m s ALA 23 CO 0.02 -2.45 0.06 0.00 0.00 0.00 0.00 175.76 173.38 1t2m s ALA 24 N 1.42 3.60 0.55 0.00 0.00 -1.00 -4.86 121.76 121.48 1t2m s ALA 24 Ca 0.19 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.44 1t2m s ALA 24 Cb -0.13 0.35 0.04 0.00 0.00 0.00 0.00 23.12 23.37 1t2m s ALA 24 CO -0.05 -0.16 0.30 0.15 0.00 0.00 0.00 175.76 176.00 1t2m s LYS 25 N -3.80 2.23 0.00 0.00 1.02 -1.26 -1.00 119.74 116.94 1t2m s LYS 25 Ca 0.13 -2.19 0.00 0.00 0.02 0.00 0.00 55.97 53.94 1t2m s LYS 25 Cb 0.02 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1t2m s LYS 25 CO 0.08 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 1t2m n GLY 26 N -1.68 3.72 3.61 -3.33 0.00 -1.26 -4.99 105.19 101.26 1t2m n GLY 26 Ca -0.08 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.06 3.10 -2.08 4.61 0.00 -1.26 -4.58 121.76 120.49 1t2m s ALA 27 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1t2m s ALA 27 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1t2m s ALA 27 CO 0.00 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.36 1t2m n GLY 28 N -0.87 1.87 0.00 0.00 0.00 -1.26 -4.92 105.19 100.01 1t2m n GLY 28 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1t2m n GLY 28 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1t2m n GLN 29 N -2.28 3.28 -0.27 1.61 -0.06 -1.26 -5.09 117.38 113.31 1t2m n GLN 29 Ca -0.20 0.00 -0.00 0.00 -2.00 0.00 0.00 57.00 54.80 1t2m n GLN 29 Cb 0.65 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.83 1t2m n GLN 29 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1t2m n ASP 30 N -0.37 -0.03 -0.88 1.69 -0.08 -1.26 -5.07 116.55 110.55 1t2m n ASP 30 Ca 0.00 -0.52 0.00 0.00 -1.51 0.00 0.00 54.79 52.76 1t2m n ASP 30 Cb 0.00 0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.47 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 0.00 0.00 -4.03 -0.67 5.02 -1.26 -4.97 118.16 112.25 1t2m n LYS 31 Ca -0.01 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.93 1t2m n LYS 31 Cb 0.26 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.16 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 3.60 0.04 -0.35 2.96 -1.26 -4.61 118.68 119.06 1t2m s LEU 32 Ca 0.00 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1t2m s LEU 32 Cb 0.00 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1t2m s LEU 32 CO 0.00 0.12 0.06 -0.83 -1.32 0.00 0.00 176.35 174.38 1t2m s GLY 33 N 0.68 1.98 -0.80 7.98 0.00 -0.17 -3.21 107.32 113.78 1t2m s GLY 33 Ca 0.02 -0.97 -0.25 0.00 0.00 0.00 0.00 44.72 43.52 1t2m s GLY 33 CO 0.02 -0.89 1.27 -0.42 0.00 0.00 0.00 173.10 173.08 1t2m s ILE 34 N -1.26 3.89 0.17 0.90 1.09 -1.06 -2.39 121.20 122.54 1t2m s ILE 34 Ca 0.25 -0.05 -0.18 0.00 -1.10 0.00 0.00 60.65 59.58 1t2m s ILE 34 Cb -0.12 -4.92 -0.08 0.00 -1.06 0.00 0.00 42.46 36.29 1t2m s ILE 34 CO 0.17 -1.81 0.64 -0.31 -0.10 0.00 0.00 174.94 173.52 1t2m s TYR 35 N 5.22 3.66 -0.24 3.97 2.02 0.20 0.71 117.35 132.90 1t2m s TYR 35 Ca 0.36 1.26 -0.09 0.00 -0.37 0.00 0.00 57.07 58.23 1t2m s TYR 35 Cb -0.07 -2.51 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 1t2m s TYR 35 CO 0.07 0.41 0.11 0.08 -1.57 0.00 0.00 175.55 174.65 1t2m s VAL 36 N -1.44 4.76 -0.15 0.71 1.01 0.28 0.58 120.40 126.15 1t2m s VAL 36 Ca 0.39 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.28 1t2m s VAL 36 Cb -0.17 -3.22 -0.24 0.00 0.00 0.00 0.00 36.38 32.75 1t2m s VAL 36 CO 0.20 0.35 0.25 0.29 0.00 0.00 0.00 175.10 176.18 1t2m n LYS 37 N 4.57 0.73 -3.83 2.72 5.02 0.11 0.66 118.16 128.14 1t2m n LYS 37 Ca -0.16 0.26 -0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1t2m n LYS 37 Cb 0.52 -1.68 0.01 0.00 -0.02 0.00 0.00 35.03 33.86 1t2m n LYS 37 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1t2m s SER 38 N -6.95 -0.06 0.04 4.39 0.01 -1.18 -4.13 113.70 105.82 1t2m s SER 38 Ca -0.25 -0.72 0.07 0.00 1.31 0.00 0.00 55.95 56.35 1t2m s SER 38 Cb 0.07 0.61 -0.02 0.00 0.21 0.00 0.00 66.02 66.88 1t2m s SER 38 CO 0.73 -1.18 -0.19 -0.69 0.41 0.00 0.00 173.24 172.32 1t2m s VAL 39 N -2.64 1.49 0.28 3.43 1.01 -1.26 -1.56 120.40 121.15 1t2m s VAL 39 Ca 0.17 -1.15 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 1t2m s VAL 39 Cb -0.03 -1.31 -0.09 0.00 0.00 0.00 0.00 36.38 34.95 1t2m s VAL 39 CO 0.06 0.13 0.78 -0.69 0.00 0.00 0.00 175.10 175.38 1t2m s VAL 40 N -0.83 4.54 0.33 2.92 1.01 0.12 -4.95 120.40 123.54 1t2m s VAL 40 Ca 0.06 1.28 -0.28 0.00 0.00 0.00 0.00 61.98 63.03 1t2m s VAL 40 Cb -0.09 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 1t2m s VAL 40 CO 0.02 0.04 1.20 -0.75 0.00 0.00 0.00 175.10 175.61 1t2m s LYS 41 N -2.38 4.39 -0.44 2.72 2.47 -1.26 -3.13 119.74 122.10 1t2m s LYS 41 Ca 0.49 1.98 0.00 0.00 -1.56 0.00 0.00 55.97 56.88 1t2m s LYS 41 Cb -0.14 -3.02 0.00 0.00 -1.46 0.00 0.00 37.83 33.21 1t2m s LYS 41 CO 0.20 -0.08 0.00 0.41 0.16 0.00 0.00 175.35 176.04 1t2m n GLY 42 N 0.90 0.70 4.01 5.54 0.00 -1.26 -5.03 105.19 110.04 1t2m n GLY 42 Ca 0.01 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.77 1.78 0.04 -0.02 0.00 -1.19 -4.84 107.32 100.33 1t2m s GLY 43 Ca 0.00 -1.85 -0.29 0.00 0.00 0.00 0.00 44.72 42.58 1t2m s GLY 43 CO 0.00 -1.40 1.42 0.00 0.00 0.00 0.00 173.10 173.11 1t2m h ALA 44 N -0.03 -1.26 -0.49 3.20 0.00 -1.46 0.21 119.26 119.44 1t2m h ALA 44 Ca -0.35 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.40 1t2m h ALA 44 Cb 1.28 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 1t2m h ALA 44 CO 0.42 -1.19 0.33 0.00 0.00 0.00 0.00 179.25 178.81 1t2m h ALA 45 N -1.50 1.95 0.42 0.00 0.00 -1.88 0.26 119.26 118.51 1t2m h ALA 45 Ca -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1t2m h ALA 45 Cb 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1t2m h ALA 45 CO 0.18 -0.04 -0.20 0.22 0.00 0.00 0.00 179.25 179.40 1t2m h ASP 46 N 0.39 -0.48 -0.18 0.00 1.82 -1.79 0.62 116.42 116.80 1t2m h ASP 46 Ca 0.21 -0.11 -0.08 0.00 -0.39 0.00 0.00 57.03 56.66 1t2m h ASP 46 Cb 0.34 0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.46 1t2m h ASP 46 CO -0.05 -0.08 -0.14 0.58 -1.61 0.00 0.00 179.24 177.94 1t2m h VAL 47 N -0.96 1.24 -0.04 2.25 2.07 -0.70 -3.16 116.25 116.96 1t2m h VAL 47 Ca -0.06 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1t2m h VAL 47 Cb 0.56 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1t2m h VAL 47 CO 0.09 0.36 -0.06 0.44 0.02 0.00 0.00 177.57 178.42 1t2m h ASP 48 N 0.52 0.12 -2.63 0.57 5.19 -0.53 -3.50 116.42 116.16 1t2m h ASP 48 Ca 0.09 -0.55 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1t2m h ASP 48 Cb 0.54 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1t2m h ASP 48 CO 0.03 0.65 0.00 0.61 -3.12 0.00 0.00 179.24 177.41 1t2m n GLY 49 N 0.41 -2.03 2.02 2.75 0.00 0.21 -5.07 105.19 103.48 1t2m n GLY 49 Ca -0.08 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.11 0.00 -4.01 1.61 5.12 -1.25 -5.09 116.66 112.94 1t2m n ARG 50 Ca 0.00 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.63 1t2m n ARG 50 Cb 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.25 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 -5.57 4.02 0.00 0.55 0.05 -1.26 -5.12 118.68 111.34 1t2m s LEU 51 Ca 0.00 0.05 0.00 0.00 0.05 0.00 0.00 54.13 54.23 1t2m s LEU 51 Cb 0.00 -2.64 0.00 0.00 -2.05 0.00 0.00 46.19 41.50 1t2m s LEU 51 CO 0.00 0.12 0.00 0.00 -0.55 0.00 0.00 176.35 175.92 1t2m n ALA 52 N 0.03 0.00 -1.77 1.48 0.00 -1.26 -4.87 120.51 114.12 1t2m n ALA 52 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 1t2m n ALA 52 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.00 3.15 -0.14 0.00 0.00 -1.26 -3.96 121.76 117.55 1t2m s ALA 53 Ca 0.00 1.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.98 1t2m s ALA 53 Cb 0.00 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 1t2m s ALA 53 CO 0.00 -0.61 0.11 0.41 0.00 0.00 0.00 175.76 175.67 1t2m n GLY 54 N 0.63 0.37 3.00 0.00 0.00 0.21 -4.99 105.19 104.41 1t2m n GLY 54 Ca 0.05 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.15 1.48 0.12 1.61 1.11 -1.09 -4.12 116.67 112.62 1t2m s ASP 55 Ca 0.00 -0.24 -0.11 0.00 0.18 0.00 0.00 52.55 52.39 1t2m s ASP 55 Cb -0.00 -0.59 -0.06 0.00 1.07 0.00 0.00 42.92 43.33 1t2m s ASP 55 CO 0.08 0.03 0.46 -1.58 1.18 0.00 0.00 175.17 175.35 1t2m s GLN 56 N 0.53 3.82 -0.18 8.23 0.74 -1.00 0.99 119.66 132.79 1t2m s GLN 56 Ca -0.10 0.26 -0.00 0.00 0.05 0.00 0.00 55.36 55.57 1t2m s GLN 56 Cb -0.13 -2.93 0.01 0.00 1.10 0.00 0.00 33.01 31.05 1t2m s GLN 56 CO 0.02 0.51 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.61 1t2m s LEU 57 N -2.06 2.43 -0.25 3.68 1.43 0.22 0.51 118.68 124.65 1t2m s LEU 57 Ca 0.36 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 1t2m s LEU 57 Cb -0.14 -1.57 -0.16 0.00 0.03 0.00 0.00 46.19 44.35 1t2m s LEU 57 CO 0.19 0.02 -0.14 0.18 0.23 0.00 0.00 176.35 176.83 1t2m n LEU 58 N 4.48 2.20 -4.03 1.79 7.99 -0.72 -2.57 117.00 126.13 1t2m n LEU 58 Ca -0.20 0.25 -0.09 0.00 -0.01 0.00 0.00 56.01 55.96 1t2m n LEU 58 Cb 0.51 -0.90 -0.11 0.00 -0.11 0.00 0.00 43.42 42.81 1t2m n LEU 58 CO 0.28 0.61 -0.37 -0.44 -1.51 0.00 0.00 177.39 175.95 1t2m s SER 59 N -7.13 0.47 -0.14 -1.43 0.01 -1.26 -1.32 113.70 102.91 1t2m s SER 59 Ca -0.34 -0.65 -0.03 0.00 1.31 0.00 0.00 55.95 56.24 1t2m s SER 59 Cb 0.11 0.11 0.05 0.00 0.21 0.00 0.00 66.02 66.50 1t2m s SER 59 CO 0.56 -0.36 0.03 -0.69 0.41 0.00 0.00 173.24 173.19 1t2m s VAL 60 N -2.12 0.34 -1.38 3.43 1.01 -0.39 0.09 120.40 121.39 1t2m s VAL 60 Ca -0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 1t2m s VAL 60 Cb -0.05 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1t2m s VAL 60 CO -0.03 -0.03 0.63 -0.67 0.00 0.00 0.00 175.10 175.01 1t2m n ASP 61 N 5.13 -5.75 0.00 3.32 -0.08 0.98 -1.75 116.55 118.40 1t2m n ASP 61 Ca -0.08 -0.29 0.00 0.00 -1.51 0.00 0.00 54.79 52.91 1t2m n ASP 61 Cb 0.49 -4.54 0.00 0.00 2.34 0.00 0.00 41.12 39.40 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 -1.52 3.02 3.79 0.27 0.00 -1.26 -4.92 105.19 104.57 1t2m n GLY 62 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.37 4.05 -0.33 1.61 0.52 -0.72 -5.02 118.95 118.70 1t2m s ARG 63 Ca 0.00 1.42 -0.16 0.00 -0.52 0.00 0.00 55.73 56.47 1t2m s ARG 63 Cb 0.00 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 1t2m s ARG 63 CO 0.00 -0.22 0.41 -1.54 0.02 0.00 0.00 175.30 173.96 1t2m s SER 64 N -1.77 6.24 -0.59 0.23 1.04 -1.26 -1.26 113.70 116.32 1t2m s SER 64 Ca 0.61 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.99 1t2m s SER 64 Cb -0.19 -2.22 0.50 0.00 0.10 0.00 0.00 66.02 64.21 1t2m s SER 64 CO 0.23 -0.34 1.95 0.18 0.98 0.00 0.00 173.24 176.24 1t2m n LEU 65 N 5.47 7.26 -4.17 2.42 4.32 -0.44 -4.87 117.00 127.00 1t2m n LEU 65 Ca -0.08 -4.16 -0.38 0.00 -0.02 0.00 0.00 56.01 51.38 1t2m n LEU 65 Cb 0.50 -0.90 -0.10 0.00 -1.62 0.00 0.00 43.42 41.29 1t2m n LEU 65 CO 0.41 1.41 -0.12 -0.69 -1.22 0.00 0.00 177.39 177.18 1t2m s VAL 66 N -4.45 3.68 0.00 4.08 1.01 -1.26 -4.42 120.40 119.05 1t2m s VAL 66 Ca 0.62 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.71 1t2m s VAL 66 Cb 0.50 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1t2m s VAL 66 CO 0.02 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.04 1t2m n GLY 67 N 4.73 1.13 3.68 4.51 0.00 -1.20 -4.80 105.19 113.23 1t2m n GLY 67 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 3.16 0.68 0.99 0.05 -1.26 -4.87 118.68 117.44 1t2m s LEU 68 Ca 0.00 -0.79 -0.07 0.00 0.05 0.00 0.00 54.13 53.32 1t2m s LEU 68 Cb 0.00 -1.62 0.05 0.00 -2.05 0.00 0.00 46.19 42.56 1t2m s LEU 68 CO 0.00 -0.18 1.00 -0.94 -0.55 0.00 0.00 176.35 175.68 1t2m s SER 69 N -3.75 5.01 0.55 1.48 1.04 -1.26 -4.80 113.70 111.97 1t2m s SER 69 Ca 0.35 0.57 0.24 0.00 0.48 0.00 0.00 55.95 57.58 1t2m s SER 69 Cb -0.03 -1.30 1.46 0.00 0.10 0.00 0.00 66.02 66.25 1t2m s SER 69 CO 0.21 -1.48 2.08 -0.61 0.98 0.00 0.00 173.24 174.42 1t2m h GLN 70 N -0.53 0.00 -0.04 4.02 4.15 -1.97 -1.75 115.11 118.98 1t2m h GLN 70 Ca -0.45 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.97 1t2m h GLN 70 Cb 1.30 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.99 1t2m h GLN 70 CO 0.61 0.00 0.03 0.93 -1.93 0.00 0.00 178.83 178.46 1t2m h GLU 71 N 0.00 0.05 -0.41 1.69 5.08 -1.99 0.39 114.58 119.39 1t2m h GLU 71 Ca 0.12 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 1t2m h GLU 71 Cb 0.52 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1t2m h GLU 71 CO -0.00 0.07 -0.27 0.00 -1.00 0.00 0.00 179.01 177.81 1t2m h ARG 72 N 0.03 0.87 0.55 2.33 -0.00 -1.72 -0.06 114.38 116.38 1t2m h ARG 72 Ca 0.01 -0.39 -0.03 0.00 -0.50 0.00 0.00 59.98 59.08 1t2m h ARG 72 Cb 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 29.97 29.98 1t2m h ARG 72 CO -0.00 1.03 -0.26 0.00 0.00 0.00 0.00 179.97 180.74 1t2m h ALA 73 N 0.94 -0.74 -0.54 0.04 0.00 -1.12 0.17 119.26 118.02 1t2m h ALA 73 Ca 0.09 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1t2m h ALA 73 Cb 0.82 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1t2m h ALA 73 CO 0.07 -0.88 0.10 0.00 0.00 0.00 0.00 179.25 178.54 1t2m h ALA 74 N -0.38 0.72 -0.59 0.00 0.00 -0.97 -2.02 119.26 116.02 1t2m h ALA 74 Ca -0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1t2m h ALA 74 Cb 0.59 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1t2m h ALA 74 CO 0.12 0.45 0.22 1.49 0.00 0.00 0.00 179.25 181.54 1t2m h GLU 75 N 0.78 0.87 -0.16 0.00 4.57 -0.96 -1.59 114.58 118.09 1t2m h GLU 75 Ca 0.17 -0.14 -0.15 0.00 -1.18 0.00 0.00 59.36 58.06 1t2m h GLU 75 Cb 0.39 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1t2m h GLU 75 CO 0.01 0.72 -0.52 -0.07 -1.18 0.00 0.00 179.01 177.97 1t2m h LEU 76 N 0.85 0.50 -0.40 1.64 3.38 -0.43 -2.33 115.31 118.51 1t2m h LEU 76 Ca 0.20 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1t2m h LEU 76 Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1t2m h LEU 76 CO -0.02 0.93 -0.26 0.24 0.09 0.00 0.00 178.44 179.42 1t2m h MET 77 N 0.35 0.88 -0.36 1.13 2.86 -0.92 -3.09 114.93 115.80 1t2m h MET 77 Ca 0.01 -0.42 -0.11 0.00 -2.06 0.00 0.00 59.70 57.13 1t2m h MET 77 Cb 1.03 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 1t2m h MET 77 CO 0.09 1.07 -0.22 0.00 1.06 0.00 0.00 176.91 178.91 1t2m h THR 78 N 0.70 1.27 -0.93 2.22 1.03 -1.28 -3.21 112.91 112.72 1t2m h THR 78 Ca 0.08 -1.30 -0.62 0.00 -0.01 0.00 0.00 66.41 64.56 1t2m h THR 78 Cb 0.84 1.23 -0.12 0.00 -1.07 0.00 0.00 68.15 69.03 1t2m h THR 78 CO 0.07 0.43 1.75 0.54 -0.01 0.00 0.00 175.52 178.30 1t2m n ARG 79 N -4.12 3.66 -2.91 0.00 1.74 -0.88 -4.91 116.66 109.23 1t2m n ARG 79 Ca 0.00 -2.82 -0.15 0.00 -0.77 0.00 0.00 57.85 54.12 1t2m n ARG 79 Cb 0.42 -2.45 -0.01 0.00 -1.02 0.00 0.00 32.46 29.40 1t2m n ARG 79 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1t2m n THR 80 N 1.71 0.00 -3.08 0.55 -2.24 -1.21 -4.93 114.28 105.08 1t2m n THR 80 Ca 0.59 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1t2m n THR 80 Cb 0.39 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1t2m n THR 80 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1t2m n SER 81 N -1.72 0.20 -0.09 3.42 7.64 -1.26 -4.99 113.62 116.82 1t2m n SER 81 Ca -0.04 -0.98 0.11 0.00 1.01 0.00 0.00 58.87 58.97 1t2m n SER 81 Cb 0.33 0.00 0.48 0.00 -1.01 0.00 0.00 64.21 64.01 1t2m n SER 81 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1t2m h SER 82 N 0.00 0.41 -4.30 6.43 0.87 -2.01 -3.42 113.55 111.53 1t2m h SER 82 Ca 0.00 0.01 -0.70 0.00 -1.23 0.00 0.00 61.79 59.87 1t2m h SER 82 Cb 0.00 -0.08 -0.26 0.00 -0.44 0.00 0.00 62.40 61.62 1t2m h SER 82 CO 0.00 0.25 -0.87 -0.69 -0.53 0.00 0.00 176.83 174.99 1t2m s VAL 83 N -5.43 2.21 -0.04 2.23 1.01 -1.26 -3.75 120.40 115.36 1t2m s VAL 83 Ca -0.08 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 60.53 1t2m s VAL 83 Cb 0.19 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.74 1t2m s VAL 83 CO 0.75 0.39 0.10 -0.69 0.00 0.00 0.00 175.10 175.65 1t2m s VAL 84 N -0.80 -0.01 -0.41 2.92 1.01 0.32 -4.98 120.40 118.45 1t2m s VAL 84 Ca 0.12 0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 1t2m s VAL 84 Cb -0.10 -0.16 0.10 0.00 0.00 0.00 0.00 36.38 36.22 1t2m s VAL 84 CO 0.02 0.02 0.23 0.42 0.00 0.00 0.00 175.10 175.78 1t2m s THR 85 N 0.30 3.70 -0.31 3.92 -4.23 -1.25 -1.28 115.64 116.49 1t2m s THR 85 Ca -0.02 -1.74 -0.17 0.00 -1.18 0.00 0.00 61.69 58.58 1t2m s THR 85 Cb -0.03 -3.39 -0.02 0.00 1.34 0.00 0.00 72.50 70.40 1t2m s THR 85 CO -0.01 -0.59 0.45 -0.76 -0.54 0.00 0.00 174.62 173.17 1t2m s LEU 86 N 1.28 4.23 -0.85 4.79 1.02 -1.02 -0.01 118.68 128.12 1t2m s LEU 86 Ca 0.05 0.12 -0.25 0.00 0.02 0.00 0.00 54.13 54.06 1t2m s LEU 86 Cb -0.23 -2.52 0.04 0.00 0.02 0.00 0.00 46.19 43.50 1t2m s LEU 86 CO -0.01 -0.34 1.33 -1.61 0.02 0.00 0.00 176.35 175.73 1t2m s GLU 87 N 2.23 3.35 0.68 1.70 0.41 0.11 -1.91 118.70 125.28 1t2m s GLU 87 Ca 0.17 -0.62 -0.05 0.00 -0.41 0.00 0.00 54.97 54.05 1t2m s GLU 87 Cb -0.16 -4.65 0.06 0.00 -1.78 0.00 0.00 34.13 27.60 1t2m s GLU 87 CO 0.11 -2.16 0.98 0.14 -0.49 0.00 0.00 175.26 173.84 1t2m s VAL 88 N 5.34 2.34 -0.04 2.63 -7.23 0.25 -1.75 120.40 121.94 1t2m s VAL 88 Ca 0.39 -0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 60.20 1t2m s VAL 88 Cb -0.05 -2.99 0.03 0.00 0.56 0.00 0.00 36.38 33.93 1t2m s VAL 88 CO 0.05 0.00 0.02 0.00 -0.31 0.00 0.00 175.10 174.86 1t2m s ALA 89 N -3.17 0.31 -0.32 1.32 0.00 0.18 -0.40 121.76 119.68 1t2m s ALA 89 Ca 0.60 0.15 -0.25 0.00 0.00 0.00 0.00 51.96 52.47 1t2m s ALA 89 Cb -0.10 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1t2m s ALA 89 CO 0.44 -0.24 0.86 0.15 0.00 0.00 0.00 175.76 176.96 1t2m s LYS 90 N 1.46 3.93 0.00 0.00 -0.14 -0.26 -2.38 119.74 122.35 1t2m s LYS 90 Ca -0.04 0.64 0.00 0.00 -1.36 0.00 0.00 55.97 55.21 1t2m s LYS 90 Cb -0.13 -3.75 0.00 0.00 -1.68 0.00 0.00 37.83 32.27 1t2m s LYS 90 CO -0.03 -0.78 0.00 0.00 -0.76 0.00 0.00 175.35 173.78 1t2m n GLN 91 N 6.43 0.00 0.00 1.68 10.64 -1.26 -3.45 117.38 131.42 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 0.48 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.86 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 2.69 0.00 2.61 0.00 -1.26 -4.91 105.19 104.32 1t2m n GLY 92 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32