#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 2.14 0.07 3.17 1.02 -1.26 -5.00 119.74 119.87 1t2m s LYS 2 Ca 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 55.97 54.25 1t2m s LYS 2 Cb 0.00 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1t2m s LYS 2 CO 0.00 0.09 0.00 0.39 -0.92 0.00 0.00 175.35 174.91 1t2m n GLU 3 N -1.02 -3.52 -0.42 1.68 1.02 -1.26 -5.00 120.64 112.13 1t2m n GLU 3 Ca -0.04 2.70 -0.27 0.00 -0.02 0.00 0.00 57.16 59.54 1t2m n GLU 3 Cb 0.63 -3.07 0.23 0.00 -0.02 0.00 0.00 31.44 29.21 1t2m n GLU 3 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1t2m n PRO 4 N 1.22 -3.26 -2.97 3.49 -0.02 -1.26 -4.89 135.00 127.31 1t2m n PRO 4 Ca 0.00 -0.96 -0.44 0.00 -2.02 0.00 0.00 63.50 60.08 1t2m n PRO 4 Cb 0.00 -1.79 -0.02 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 -4.23 3.80 -0.26 -0.52 2.12 -1.26 -4.95 118.70 113.39 1t2m s GLU 5 Ca 0.56 -2.15 -0.11 0.00 0.36 0.00 0.00 54.97 53.63 1t2m s GLU 5 Cb -0.13 -4.93 -0.05 0.00 0.26 0.00 0.00 34.13 29.29 1t2m s GLU 5 CO 0.53 -1.72 0.19 0.42 -0.54 0.00 0.00 175.26 174.13 1t2m s ILE 6 N 2.00 5.32 -0.03 -3.70 1.09 -1.26 -1.90 121.20 122.71 1t2m s ILE 6 Ca 0.35 0.21 -0.02 0.00 -1.10 0.00 0.00 60.65 60.09 1t2m s ILE 6 Cb -0.05 -3.53 0.02 0.00 -1.06 0.00 0.00 42.46 37.84 1t2m s ILE 6 CO -0.06 0.28 0.08 0.27 -0.10 0.00 0.00 174.94 175.41 1t2m s ILE 7 N 1.52 -0.02 -0.11 2.92 -5.25 0.08 -4.92 121.20 115.43 1t2m s ILE 7 Ca 0.08 0.06 -0.08 0.00 -0.99 0.00 0.00 60.65 59.71 1t2m s ILE 7 Cb -0.15 -0.13 -0.04 0.00 2.95 0.00 0.00 42.46 45.09 1t2m s ILE 7 CO 0.09 0.02 0.18 0.28 -1.79 0.00 0.00 174.94 173.72 1t2m s THR 8 N 0.36 5.43 -0.01 8.37 -1.32 -1.26 0.10 115.64 127.32 1t2m s THR 8 Ca -0.03 0.30 0.01 0.00 -1.21 0.00 0.00 61.69 60.76 1t2m s THR 8 Cb -0.04 -3.45 0.01 0.00 -1.51 0.00 0.00 72.50 67.51 1t2m s THR 8 CO -0.01 0.59 -0.02 0.68 -2.21 0.00 0.00 174.62 173.65 1t2m s VAL 9 N -0.88 0.23 -0.85 5.08 -7.23 -0.83 -4.88 120.40 111.04 1t2m s VAL 9 Ca 0.16 -0.06 -0.25 0.00 -1.81 0.00 0.00 61.98 60.02 1t2m s VAL 9 Cb -0.13 -0.25 0.04 0.00 0.56 0.00 0.00 36.38 36.61 1t2m s VAL 9 CO 0.05 0.10 1.34 0.42 -0.31 0.00 0.00 175.10 176.70 1t2m s THR 10 N 0.34 3.81 -0.02 5.32 -4.23 -1.26 -2.04 115.64 117.57 1t2m s THR 10 Ca -0.03 -0.08 -0.20 0.00 -1.18 0.00 0.00 61.69 60.19 1t2m s THR 10 Cb -0.06 -4.97 -0.05 0.00 1.34 0.00 0.00 72.50 68.75 1t2m s THR 10 CO -0.01 -1.89 0.59 -0.76 -0.54 0.00 0.00 174.62 172.02 1t2m s LEU 11 N 5.39 4.40 0.72 4.79 1.02 0.14 -4.73 118.68 130.41 1t2m s LEU 11 Ca 0.39 1.13 -0.02 0.00 0.02 0.00 0.00 54.13 55.66 1t2m s LEU 11 Cb -0.05 -2.91 0.12 0.00 0.02 0.00 0.00 46.19 43.37 1t2m s LEU 11 CO 0.05 0.08 1.00 -0.75 0.02 0.00 0.00 176.35 176.74 1t2m s LYS 12 N -0.07 1.71 -0.09 1.70 2.20 -1.26 -0.26 119.74 123.67 1t2m s LYS 12 Ca 0.31 -1.00 0.04 0.00 -0.36 0.00 0.00 55.97 54.96 1t2m s LYS 12 Cb -0.18 -2.31 -0.00 0.00 -1.51 0.00 0.00 37.83 33.83 1t2m s LYS 12 CO 0.17 -1.43 -0.24 0.15 -0.36 0.00 0.00 175.35 173.64 1t2m s LYS 13 N -5.16 2.94 -0.22 4.03 1.02 -0.61 -4.68 119.74 117.06 1t2m s LYS 13 Ca 0.66 -0.87 -0.05 0.00 0.02 0.00 0.00 55.97 55.73 1t2m s LYS 13 Cb -0.06 -2.25 -0.11 0.00 -0.52 0.00 0.00 37.83 34.88 1t2m s LYS 13 CO 0.44 0.20 -0.24 1.04 -0.92 0.00 0.00 175.35 175.88 1t2m n GLN 14 N 3.45 0.49 -2.61 1.68 6.02 -1.26 -4.88 117.38 120.27 1t2m n GLN 14 Ca -0.19 0.17 -0.03 0.00 -0.01 0.00 0.00 57.00 56.93 1t2m n GLN 14 Cb 0.53 -1.35 0.11 0.00 1.02 0.00 0.00 30.24 30.55 1t2m n GLN 14 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1t2m n ASN 15 N -3.58 -1.50 0.00 1.08 2.85 -1.26 -5.08 115.26 107.78 1t2m n ASN 15 Ca -0.41 -2.20 0.00 0.00 -0.11 0.00 0.00 54.58 51.87 1t2m n ASN 15 Cb 0.85 0.75 0.00 0.00 1.24 0.00 0.00 39.78 42.62 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 -1.16 0.44 3.03 8.20 0.00 -1.26 -4.97 105.19 109.48 1t2m n GLY 16 Ca -0.13 -2.27 -0.32 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.13 1.55 -1.23 1.61 -1.94 -1.26 -4.76 119.30 113.15 1t2m s MET 17 Ca 0.00 -1.87 -0.11 0.00 -1.71 0.00 0.00 55.69 51.99 1t2m s MET 17 Cb 0.00 -3.26 0.18 0.00 2.01 0.00 0.00 34.83 33.76 1t2m s MET 17 CO 0.00 -0.96 1.59 0.41 -0.01 0.00 0.00 175.02 176.05 1t2m n GLY 18 N 4.30 4.04 2.82 -0.03 0.00 -1.26 -4.88 105.19 110.18 1t2m n GLY 18 Ca 0.03 -2.11 -0.14 0.00 0.00 0.00 0.00 46.02 43.80 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 0.53 -0.34 -1.18 0.99 1.02 -1.26 -2.64 118.68 115.80 1t2m s LEU 19 Ca 0.40 -0.13 -0.17 0.00 0.02 0.00 0.00 54.13 54.26 1t2m s LEU 19 Cb 0.02 0.70 0.12 0.00 0.02 0.00 0.00 46.19 47.05 1t2m s LEU 19 CO 0.00 -0.33 1.49 -0.44 0.02 0.00 0.00 176.35 177.10 1t2m s SER 20 N 2.42 6.88 0.87 2.29 0.01 -0.55 -4.99 113.70 120.63 1t2m s SER 20 Ca 0.10 -2.54 -0.11 0.00 1.31 0.00 0.00 55.95 54.70 1t2m s SER 20 Cb -0.15 -2.47 0.15 0.00 0.21 0.00 0.00 66.02 63.76 1t2m s SER 20 CO -0.17 -1.00 1.21 0.27 0.41 0.00 0.00 173.24 173.96 1t2m s ILE 21 N 2.90 2.06 -0.09 1.44 -5.25 -1.26 -2.35 121.20 118.65 1t2m s ILE 21 Ca 0.45 -0.14 -0.19 0.00 -0.99 0.00 0.00 60.65 59.78 1t2m s ILE 21 Cb -0.01 -2.92 0.04 0.00 2.95 0.00 0.00 42.46 42.53 1t2m s ILE 21 CO 0.00 0.00 0.45 0.54 -1.79 0.00 0.00 174.94 174.15 1t2m s VAL 22 N -3.63 0.02 -0.55 8.37 0.11 0.36 -4.87 120.40 120.21 1t2m s VAL 22 Ca 0.69 -0.18 -0.17 0.00 -2.93 0.00 0.00 61.98 59.40 1t2m s VAL 22 Cb -0.06 -0.71 0.12 0.00 -1.53 0.00 0.00 36.38 34.20 1t2m s VAL 22 CO 0.50 -0.10 0.56 0.00 -3.33 0.00 0.00 175.10 172.73 1t2m s ALA 23 N -0.63 3.58 0.31 1.54 0.00 -1.26 -1.09 121.76 124.21 1t2m s ALA 23 Ca -0.07 -2.45 0.04 0.00 0.00 0.00 0.00 51.96 49.48 1t2m s ALA 23 Cb -0.03 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1t2m s ALA 23 CO 0.04 -2.11 0.20 0.00 0.00 0.00 0.00 175.76 173.89 1t2m s ALA 24 N 1.90 1.87 0.56 0.00 0.00 -1.23 -4.91 121.76 119.94 1t2m s ALA 24 Ca 0.05 -1.84 0.08 0.00 0.00 0.00 0.00 51.96 50.26 1t2m s ALA 24 Cb -0.28 1.30 0.07 0.00 0.00 0.00 0.00 23.12 24.20 1t2m s ALA 24 CO 0.04 -0.57 0.62 0.21 0.00 0.00 0.00 175.76 176.06 1t2m s LYS 25 N -3.71 2.29 0.00 0.00 2.20 -1.26 -2.40 119.74 116.86 1t2m s LYS 25 Ca 0.37 -1.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.18 1t2m s LYS 25 Cb 0.04 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.95 1t2m s LYS 25 CO 0.21 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 1t2m n GLY 26 N -2.03 4.37 3.67 5.54 0.00 -1.25 -4.99 105.19 110.49 1t2m n GLY 26 Ca 0.08 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.36 3.23 -1.42 4.61 0.00 -1.26 -4.40 121.76 121.16 1t2m s ALA 27 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1t2m s ALA 27 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1t2m s ALA 27 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.84 1t2m n GLY 28 N 0.97 1.28 2.64 0.00 0.00 -1.26 -4.91 105.19 103.91 1t2m n GLY 28 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.09 0.12 -0.21 1.61 -0.44 -1.26 -5.01 119.66 111.38 1t2m s GLN 29 Ca 0.00 -0.06 0.07 0.00 -2.50 0.00 0.00 55.36 52.87 1t2m s GLN 29 Cb 0.00 -1.56 0.52 0.00 -1.64 0.00 0.00 33.01 30.33 1t2m s GLN 29 CO 0.00 -0.72 1.44 -3.47 0.50 0.00 0.00 175.29 173.04 1t2m n ASP 30 N 5.29 3.95 0.00 6.67 2.03 -1.26 -3.92 116.55 129.30 1t2m n ASP 30 Ca -0.06 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.46 1t2m n ASP 30 Cb 0.48 -0.66 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 0.06 3.92 -3.75 -0.67 4.01 -1.26 -5.03 118.16 115.43 1t2m n LYS 31 Ca 0.26 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.78 1t2m n LYS 31 Cb 1.03 0.00 -0.16 0.00 -0.51 0.00 0.00 35.03 35.39 1t2m n LYS 31 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1t2m s LEU 32 N 0.00 1.63 0.34 -0.35 1.02 -1.26 -4.35 118.68 115.71 1t2m s LEU 32 Ca 0.00 -1.12 -0.10 0.00 0.02 0.00 0.00 54.13 52.94 1t2m s LEU 32 Cb 0.00 -0.74 -0.07 0.00 0.02 0.00 0.00 46.19 45.41 1t2m s LEU 32 CO 0.00 -0.33 0.68 -0.83 0.02 0.00 0.00 176.35 175.89 1t2m s GLY 33 N 1.74 2.03 -0.99 -3.19 0.00 -1.01 -3.57 107.32 102.33 1t2m s GLY 33 Ca 0.02 -0.26 -0.23 0.00 0.00 0.00 0.00 44.72 44.25 1t2m s GLY 33 CO -0.14 -0.10 1.40 -0.42 0.00 0.00 0.00 173.10 173.85 1t2m s ILE 34 N -2.17 3.99 0.62 0.90 -1.09 -1.06 -3.55 121.20 118.84 1t2m s ILE 34 Ca 0.49 -0.76 -0.10 0.00 -2.23 0.00 0.00 60.65 58.05 1t2m s ILE 34 Cb -0.10 -5.02 -0.02 0.00 -1.58 0.00 0.00 42.46 35.73 1t2m s ILE 34 CO 0.27 -1.89 1.01 -0.31 -1.23 0.00 0.00 174.94 172.79 1t2m s TYR 35 N 4.80 3.52 -0.12 3.97 2.02 -0.25 0.57 117.35 131.87 1t2m s TYR 35 Ca 0.44 1.13 0.02 0.00 -0.37 0.00 0.00 57.07 58.29 1t2m s TYR 35 Cb -0.01 -2.76 0.01 0.00 -0.40 0.00 0.00 41.96 38.80 1t2m s TYR 35 CO -0.08 -0.77 -0.19 0.08 -1.57 0.00 0.00 175.55 173.02 1t2m s VAL 36 N -3.16 1.75 -0.04 0.71 1.01 0.24 -0.48 120.40 120.42 1t2m s VAL 36 Ca 0.55 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1t2m s VAL 36 Cb -0.11 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1t2m s VAL 36 CO 0.52 0.49 0.02 2.29 0.00 0.00 0.00 175.10 178.41 1t2m n LYS 37 N 4.06 3.27 -4.12 2.72 2.85 -0.99 0.55 118.16 126.49 1t2m n LYS 37 Ca -0.20 -0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 56.95 1t2m n LYS 37 Cb 0.52 -1.10 -0.10 0.00 -0.65 0.00 0.00 35.03 33.69 1t2m n LYS 37 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1t2m s SER 38 N -3.44 0.92 -0.04 -5.58 0.15 -1.18 -4.50 113.70 100.03 1t2m s SER 38 Ca -0.02 -0.85 -0.02 0.00 0.70 0.00 0.00 55.95 55.77 1t2m s SER 38 Cb 0.01 0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.44 1t2m s SER 38 CO 0.16 -0.40 0.09 -0.69 1.20 0.00 0.00 173.24 173.60 1t2m s VAL 39 N -2.90 -0.04 0.27 4.45 1.01 -1.26 -1.49 120.40 120.45 1t2m s VAL 39 Ca 0.03 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1t2m s VAL 39 Cb 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 36.38 36.12 1t2m s VAL 39 CO -0.04 0.05 1.60 0.68 0.00 0.00 0.00 175.10 177.40 1t2m s VAL 40 N 0.75 2.14 -0.91 2.92 -7.23 -1.08 -4.91 120.40 112.08 1t2m s VAL 40 Ca -0.06 0.11 -0.24 0.00 -1.81 0.00 0.00 61.98 59.99 1t2m s VAL 40 Cb -0.08 -3.07 0.05 0.00 0.56 0.00 0.00 36.38 33.84 1t2m s VAL 40 CO -0.03 0.02 1.33 -0.75 -0.31 0.00 0.00 175.10 175.36 1t2m s LYS 41 N -0.13 3.45 0.00 4.82 2.36 -1.26 -3.44 119.74 125.53 1t2m s LYS 41 Ca 0.65 -0.93 0.00 0.00 -2.55 0.00 0.00 55.97 53.14 1t2m s LYS 41 Cb -0.47 -4.91 0.00 0.00 -1.05 0.00 0.00 37.83 31.40 1t2m s LYS 41 CO 0.44 -2.12 0.00 0.41 1.55 0.00 0.00 175.35 175.63 1t2m n GLY 42 N 6.21 2.00 0.00 5.54 0.00 -1.26 -5.10 105.19 112.57 1t2m n GLY 42 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.58 1.62 0.11 -0.02 0.00 -1.22 -4.93 105.19 100.16 1t2m n GLY 43 Ca 0.00 -1.56 -0.13 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 n ALA 44 N -3.00 1.48 -0.04 4.61 0.00 -1.26 -4.07 120.51 118.23 1t2m n ALA 44 Ca 0.00 -1.25 -0.19 0.00 0.00 0.00 0.00 53.44 52.00 1t2m n ALA 44 Cb 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 19.45 19.16 1t2m n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t2m h ALA 45 N 0.64 0.10 -0.91 0.00 0.00 -1.88 -2.87 119.26 114.35 1t2m h ALA 45 Ca -0.56 -0.88 0.04 0.00 0.00 0.00 0.00 54.91 53.51 1t2m h ALA 45 Cb 2.12 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 20.20 1t2m h ALA 45 CO -0.01 0.48 0.59 0.22 0.00 0.00 0.00 179.25 180.53 1t2m h ASP 46 N -0.69 0.97 0.54 0.00 1.82 -1.81 -1.72 116.42 115.52 1t2m h ASP 46 Ca -0.20 -0.01 -0.21 0.00 -0.39 0.00 0.00 57.03 56.22 1t2m h ASP 46 Cb 1.40 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 41.19 1t2m h ASP 46 CO -0.01 0.66 -0.94 0.58 -1.61 0.00 0.00 179.24 177.92 1t2m h VAL 47 N 1.12 1.48 -0.33 2.25 2.07 -1.71 -3.28 116.25 117.84 1t2m h VAL 47 Ca 0.36 -2.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.22 1t2m h VAL 47 Cb 0.04 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1t2m h VAL 47 CO -0.11 0.78 0.18 -0.78 0.02 0.00 0.00 177.57 177.65 1t2m h ASP 48 N 0.13 0.42 0.00 0.57 1.82 -1.15 -3.47 116.42 114.73 1t2m h ASP 48 Ca -0.06 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1t2m h ASP 48 Cb 1.59 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.49 1t2m h ASP 48 CO 0.15 0.39 0.00 0.61 -1.61 0.00 0.00 179.24 178.78 1t2m n GLY 49 N -0.95 0.87 0.13 -0.78 0.00 -0.71 -4.99 105.19 98.76 1t2m n GLY 49 Ca -0.01 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 1t2m n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t2m n ARG 50 N -1.08 0.62 -4.32 1.61 5.12 -1.26 -5.03 116.66 112.33 1t2m n ARG 50 Ca 0.00 0.16 -0.17 0.00 -1.93 0.00 0.00 57.85 55.91 1t2m n ARG 50 Cb 0.33 -1.49 -0.10 0.00 -1.16 0.00 0.00 32.46 30.03 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 -6.63 2.44 0.00 0.55 0.05 -1.26 -5.10 118.68 108.73 1t2m s LEU 51 Ca -0.34 -1.09 -0.04 0.00 0.05 0.00 0.00 54.13 52.70 1t2m s LEU 51 Cb 0.10 -0.45 0.02 0.00 -2.05 0.00 0.00 46.19 43.81 1t2m s LEU 51 CO 0.56 -0.34 0.33 0.00 -0.55 0.00 0.00 176.35 176.35 1t2m n ALA 52 N -0.35 -0.53 -1.92 1.48 0.00 -1.26 -4.60 120.51 113.33 1t2m n ALA 52 Ca -0.08 -0.77 -0.41 0.00 0.00 0.00 0.00 53.44 52.18 1t2m n ALA 52 Cb 0.62 0.62 -0.03 0.00 0.00 0.00 0.00 19.45 20.66 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 -1.91 3.56 0.00 0.00 0.00 -1.26 -3.91 121.76 118.24 1t2m s ALA 53 Ca 0.12 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1t2m s ALA 53 Cb -0.01 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1t2m s ALA 53 CO 0.09 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1t2m n GLY 54 N 2.10 0.67 3.37 0.00 0.00 0.19 -4.95 105.19 106.57 1t2m n GLY 54 Ca 0.06 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.94 1.75 0.02 1.61 1.01 -1.07 -4.64 116.67 113.42 1t2m s ASP 55 Ca 0.00 -1.50 0.04 0.00 0.71 0.00 0.00 52.55 51.80 1t2m s ASP 55 Cb 0.00 0.27 -0.02 0.00 1.01 0.00 0.00 42.92 44.18 1t2m s ASP 55 CO 0.00 -0.81 -0.12 -1.58 0.21 0.00 0.00 175.17 172.87 1t2m s GLN 56 N -3.88 0.88 -0.20 8.23 0.74 -0.90 0.79 119.66 125.33 1t2m s GLN 56 Ca 0.35 -0.62 -0.03 0.00 0.05 0.00 0.00 55.36 55.11 1t2m s GLN 56 Cb 0.06 -0.86 -0.01 0.00 1.10 0.00 0.00 33.01 33.30 1t2m s GLN 56 CO 0.16 0.22 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.53 1t2m s LEU 57 N -0.84 2.80 -0.17 3.68 1.02 0.19 0.72 118.68 126.09 1t2m s LEU 57 Ca 0.02 -0.39 -0.14 0.00 0.02 0.00 0.00 54.13 53.64 1t2m s LEU 57 Cb -0.07 -1.69 -0.06 0.00 0.02 0.00 0.00 46.19 44.39 1t2m s LEU 57 CO 0.01 0.02 -0.22 -0.11 0.02 0.00 0.00 176.35 176.07 1t2m n LEU 58 N 4.49 1.87 -4.07 1.79 0.00 -0.73 -2.57 117.00 117.79 1t2m n LEU 58 Ca -0.18 0.49 -0.09 0.00 0.00 0.00 0.00 56.01 56.23 1t2m n LEU 58 Cb 0.51 -0.83 -0.10 0.00 0.00 0.00 0.00 43.42 43.00 1t2m n LEU 58 CO 0.29 -0.26 -0.37 -0.44 0.00 0.00 0.00 177.39 176.61 1t2m s SER 59 N -6.02 0.55 0.00 1.96 0.01 -1.26 -1.84 113.70 107.10 1t2m s SER 59 Ca -0.23 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1t2m s SER 59 Cb 0.04 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1t2m s SER 59 CO 0.35 -0.46 0.00 0.52 0.41 0.00 0.00 173.24 174.06 1t2m n VAL 60 N 0.63 0.00 -0.89 3.43 0.31 0.59 -0.07 118.33 122.34 1t2m n VAL 60 Ca -0.17 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.75 1t2m n VAL 60 Cb 0.59 -0.85 -0.07 0.00 -0.91 0.00 0.00 33.84 32.59 1t2m n VAL 60 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1t2m n ASP 61 N -2.06 2.17 0.00 4.52 5.75 0.22 -2.70 116.55 124.45 1t2m n ASP 61 Ca 0.00 -2.57 0.00 0.00 -0.01 0.00 0.00 54.79 52.21 1t2m n ASP 61 Cb 0.00 -0.91 0.00 0.00 -1.03 0.00 0.00 41.12 39.18 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 4.58 1.48 3.05 6.12 0.00 -1.26 -4.97 105.19 114.18 1t2m n GLY 62 Ca 0.46 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.67 0.53 -0.30 1.61 0.52 -1.10 -5.13 118.95 114.41 1t2m s ARG 63 Ca 0.00 -0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 54.54 1t2m s ARG 63 Cb 0.00 -0.36 0.04 0.00 0.52 0.00 0.00 34.95 35.15 1t2m s ARG 63 CO 0.00 0.07 0.02 -1.12 0.02 0.00 0.00 175.30 174.29 1t2m s SER 64 N -1.25 4.91 -1.03 0.23 0.01 -1.26 -0.30 113.70 115.01 1t2m s SER 64 Ca -0.07 -1.16 -0.03 0.00 1.31 0.00 0.00 55.95 56.00 1t2m s SER 64 Cb -0.08 -1.75 0.31 0.00 0.21 0.00 0.00 66.02 64.71 1t2m s SER 64 CO 0.00 -0.25 1.46 0.18 0.41 0.00 0.00 173.24 175.04 1t2m n LEU 65 N 4.68 6.31 -3.73 2.44 4.77 -0.77 -4.91 117.00 125.78 1t2m n LEU 65 Ca -0.14 -5.27 -0.30 0.00 -0.03 0.00 0.00 56.01 50.28 1t2m n LEU 65 Cb 0.44 -1.20 -0.14 0.00 -2.33 0.00 0.00 43.42 40.19 1t2m n LEU 65 CO 0.28 1.78 -0.31 -0.69 -1.33 0.00 0.00 177.39 177.12 1t2m s VAL 66 N -3.01 1.03 0.00 4.08 1.01 -1.26 -4.48 120.40 117.77 1t2m s VAL 66 Ca 0.33 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1t2m s VAL 66 Cb 0.08 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1t2m s VAL 66 CO 0.07 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 175.05 1t2m n GLY 67 N 4.52 0.99 3.65 4.51 0.00 -1.23 -4.83 105.19 112.79 1t2m n GLY 67 Ca 0.01 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1t2m n GLY 67 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1t2m s LEU 68 N 0.00 1.57 0.54 0.99 0.05 -1.26 -4.61 118.68 115.96 1t2m s LEU 68 Ca 0.00 1.29 -0.01 0.00 0.05 0.00 0.00 54.13 55.46 1t2m s LEU 68 Cb 0.00 -3.47 0.02 0.00 -2.05 0.00 0.00 46.19 40.69 1t2m s LEU 68 CO 0.00 -3.25 0.79 -0.94 -0.55 0.00 0.00 176.35 172.39 1t2m s SER 69 N -3.29 5.47 0.58 1.48 1.04 -1.26 -4.70 113.70 113.03 1t2m s SER 69 Ca 0.66 0.26 0.28 0.00 0.48 0.00 0.00 55.95 57.63 1t2m s SER 69 Cb -0.20 -1.27 1.58 0.00 0.10 0.00 0.00 66.02 66.24 1t2m s SER 69 CO 0.59 -1.02 2.04 -0.61 0.98 0.00 0.00 173.24 175.21 1t2m h GLN 70 N 0.07 0.00 -0.16 4.02 4.15 -1.94 -1.27 115.11 119.98 1t2m h GLN 70 Ca -0.44 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 58.94 1t2m h GLN 70 Cb 1.28 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.96 1t2m h GLN 70 CO 0.56 0.00 -0.04 1.49 -1.93 0.00 0.00 178.83 178.91 1t2m h GLU 71 N 0.00 0.32 -0.10 1.69 4.57 -1.99 -1.92 114.58 117.15 1t2m h GLU 71 Ca 0.13 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1t2m h GLU 71 Cb 0.71 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1t2m h GLU 71 CO -0.00 0.60 0.06 0.00 -1.18 0.00 0.00 179.01 178.49 1t2m h ARG 72 N 0.02 0.13 0.08 1.92 -0.00 -1.61 -0.21 114.38 114.70 1t2m h ARG 72 Ca 0.04 -0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.52 1t2m h ARG 72 Cb 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.41 1t2m h ARG 72 CO 0.02 0.08 -0.10 0.00 0.00 0.00 0.00 179.97 179.97 1t2m h ALA 73 N 1.04 -0.18 -0.68 0.04 0.00 -1.51 0.79 119.26 118.76 1t2m h ALA 73 Ca 0.04 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1t2m h ALA 73 Cb -0.01 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1t2m h ALA 73 CO -0.01 -0.62 0.39 0.00 0.00 0.00 0.00 179.25 179.01 1t2m h ALA 74 N 0.69 0.91 -0.32 0.00 0.00 -1.23 0.18 119.26 119.50 1t2m h ALA 74 Ca 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1t2m h ALA 74 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1t2m h ALA 74 CO -0.05 0.08 -0.10 1.49 0.00 0.00 0.00 179.25 180.67 1t2m h GLU 75 N 0.72 0.53 -0.04 0.00 4.57 -0.68 -0.02 114.58 119.66 1t2m h GLU 75 Ca 0.30 -0.15 -0.21 0.00 -1.18 0.00 0.00 59.36 58.13 1t2m h GLU 75 Cb 0.17 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1t2m h GLU 75 CO -0.17 0.63 -0.85 -0.07 -1.18 0.00 0.00 179.01 177.37 1t2m h LEU 76 N 0.49 0.53 -0.29 1.64 3.38 0.13 -2.75 115.31 118.43 1t2m h LEU 76 Ca 0.09 -0.39 -0.20 0.00 0.09 0.00 0.00 57.88 57.48 1t2m h LEU 76 Cb 0.47 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1t2m h LEU 76 CO 0.03 1.16 -0.69 0.24 0.09 0.00 0.00 178.44 179.27 1t2m h MET 77 N 0.26 0.70 -0.06 1.13 2.86 -0.40 -3.14 114.93 116.27 1t2m h MET 77 Ca -0.06 -0.52 -0.09 0.00 -2.06 0.00 0.00 59.70 56.97 1t2m h MET 77 Cb 1.46 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.20 1t2m h MET 77 CO 0.15 1.14 -0.38 0.00 1.06 0.00 0.00 176.91 178.88 1t2m h THR 78 N 0.50 1.29 -0.97 2.22 1.03 -1.04 -3.20 112.91 112.73 1t2m h THR 78 Ca -0.03 -1.38 -0.55 0.00 -0.01 0.00 0.00 66.41 64.45 1t2m h THR 78 Cb 1.29 1.67 -0.15 0.00 -1.07 0.00 0.00 68.15 69.89 1t2m h THR 78 CO 0.14 0.40 1.01 0.54 -0.01 0.00 0.00 175.52 177.60 1t2m n ARG 79 N -4.07 3.04 -4.43 0.00 1.74 -1.04 -4.91 116.66 107.00 1t2m n ARG 79 Ca -0.02 -2.55 -0.21 0.00 -0.77 0.00 0.00 57.85 54.31 1t2m n ARG 79 Cb 0.44 -2.29 -0.10 0.00 -1.02 0.00 0.00 32.46 29.48 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 -1.52 1.42 0.02 0.55 -4.23 -1.21 -4.98 115.64 105.68 1t2m s THR 80 Ca 0.59 -2.06 -0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1t2m s THR 80 Cb 0.32 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1t2m s THR 80 CO -0.16 -0.20 0.03 -1.54 -0.54 0.00 0.00 174.62 172.21 1t2m n SER 81 N -0.61 0.02 -0.25 3.99 3.41 -1.26 -4.97 113.62 113.95 1t2m n SER 81 Ca -0.04 -1.02 0.02 0.00 -0.26 0.00 0.00 58.87 57.57 1t2m n SER 81 Cb 0.65 -0.02 0.15 0.00 -0.26 0.00 0.00 64.21 64.73 1t2m n SER 81 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1t2m h SER 82 N -0.03 0.45 -3.09 4.04 0.02 -1.96 -3.40 113.55 109.57 1t2m h SER 82 Ca -0.01 0.07 -0.65 0.00 -0.84 0.00 0.00 61.79 60.36 1t2m h SER 82 Cb 0.03 -0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.44 1t2m h SER 82 CO 0.01 0.24 -0.55 -0.69 -1.14 0.00 0.00 176.83 174.70 1t2m s VAL 83 N -6.05 4.92 -0.04 2.27 1.01 -1.26 -1.58 120.40 119.68 1t2m s VAL 83 Ca -0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 1t2m s VAL 83 Cb 0.19 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.44 1t2m s VAL 83 CO 0.76 0.55 0.05 -0.69 0.00 0.00 0.00 175.10 175.77 1t2m s VAL 84 N -0.40 -0.09 -0.21 2.92 1.01 0.64 -4.94 120.40 119.33 1t2m s VAL 84 Ca 0.10 0.38 -0.18 0.00 0.00 0.00 0.00 61.98 62.28 1t2m s VAL 84 Cb -0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1t2m s VAL 84 CO 0.02 0.16 0.51 -0.89 0.00 0.00 0.00 175.10 174.90 1t2m s THR 85 N 1.95 5.11 -0.04 3.92 2.01 -1.26 0.26 115.64 127.60 1t2m s THR 85 Ca 0.02 0.92 0.02 0.00 0.31 0.00 0.00 61.69 62.97 1t2m s THR 85 Cb -0.12 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.57 1t2m s THR 85 CO -0.03 0.18 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.22 1t2m s LEU 86 N 1.67 1.72 -0.42 4.42 1.43 -0.87 0.69 118.68 127.31 1t2m s LEU 86 Ca 0.23 -0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 52.84 1t2m s LEU 86 Cb -0.15 -0.61 0.02 0.00 0.03 0.00 0.00 46.19 45.48 1t2m s LEU 86 CO 0.09 0.05 1.06 -1.61 0.23 0.00 0.00 176.35 176.17 1t2m s GLU 87 N 0.35 3.79 -0.18 1.70 2.02 0.90 -1.97 118.70 125.31 1t2m s GLU 87 Ca -0.06 0.61 -0.10 0.00 0.02 0.00 0.00 54.97 55.45 1t2m s GLU 87 Cb -0.11 -3.86 -0.05 0.00 0.10 0.00 0.00 34.13 30.22 1t2m s GLU 87 CO 0.01 -1.19 0.14 0.08 0.02 0.00 0.00 175.26 174.33 1t2m s VAL 88 N 4.02 5.42 -0.04 2.63 1.01 0.29 -1.77 120.40 131.97 1t2m s VAL 88 Ca 0.44 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.65 1t2m s VAL 88 Cb -0.09 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1t2m s VAL 88 CO 0.25 0.48 -0.04 0.00 0.00 0.00 0.00 175.10 175.80 1t2m s ALA 89 N 0.03 3.12 -0.25 5.51 0.00 0.22 -0.74 121.76 129.66 1t2m s ALA 89 Ca 0.10 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 51.05 1t2m s ALA 89 Cb -0.11 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 1t2m s ALA 89 CO -0.00 0.60 0.13 0.15 0.00 0.00 0.00 175.76 176.64 1t2m s LYS 90 N -1.15 3.88 0.06 0.00 -0.14 -0.80 -2.12 119.74 119.47 1t2m s LYS 90 Ca 0.15 -0.36 -0.02 0.00 -1.36 0.00 0.00 55.97 54.38 1t2m s LYS 90 Cb -0.11 -3.47 0.01 0.00 -1.68 0.00 0.00 37.83 32.58 1t2m s LYS 90 CO 0.05 -0.08 0.11 0.00 -0.76 0.00 0.00 175.35 174.68 1t2m n GLN 91 N 4.66 0.16 0.00 1.68 0.00 -1.26 -4.14 117.38 118.47 1t2m n GLN 91 Ca -0.15 -0.31 0.00 0.00 0.00 0.00 0.00 57.00 56.54 1t2m n GLN 91 Cb 0.52 0.39 0.00 0.00 0.00 0.00 0.00 30.24 31.15 1t2m n GLN 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1t2m n GLY 92 N -0.07 3.58 0.00 2.61 0.00 -1.26 -4.91 105.19 105.14 1t2m n GLY 92 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32