#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 1.23 -0.22 3.17 -0.14 -1.26 -5.15 119.74 117.36 1t2m s LYS 2 Ca 0.00 -1.39 0.00 0.00 -1.36 0.00 0.00 55.97 53.22 1t2m s LYS 2 Cb 0.00 0.34 0.03 0.00 -1.68 0.00 0.00 37.83 36.52 1t2m s LYS 2 CO 0.00 -0.44 -0.13 -1.21 -0.76 0.00 0.00 175.35 172.82 1t2m s GLU 3 N -4.06 2.80 0.47 1.68 2.02 -1.26 -4.96 118.70 115.39 1t2m s GLU 3 Ca 0.27 -0.98 -0.08 0.00 0.02 0.00 0.00 54.97 54.20 1t2m s GLU 3 Cb 0.04 -2.80 0.12 0.00 0.10 0.00 0.00 34.13 31.59 1t2m s GLU 3 CO 0.07 -0.35 0.45 -0.35 0.02 0.00 0.00 175.26 175.09 1t2m n PRO 4 N 4.60 -1.64 -4.02 0.39 -0.04 -1.26 -5.04 135.00 127.99 1t2m n PRO 4 Ca -0.18 -0.71 -0.32 0.00 -0.04 0.00 0.00 63.50 62.25 1t2m n PRO 4 Cb 0.47 -0.63 -0.15 0.00 -0.04 0.00 0.00 33.50 33.15 1t2m n PRO 4 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1t2m s GLU 5 N -4.01 1.74 -0.19 0.54 2.56 -1.22 -4.95 118.70 113.17 1t2m s GLU 5 Ca 0.28 -1.71 -0.16 0.00 0.00 0.00 0.00 54.97 53.38 1t2m s GLU 5 Cb -0.02 -3.14 -0.04 0.00 2.00 0.00 0.00 34.13 32.93 1t2m s GLU 5 CO 0.21 -0.83 0.39 0.42 -0.56 0.00 0.00 175.26 174.89 1t2m s ILE 6 N 0.98 5.21 0.01 -3.70 1.09 -1.26 -1.56 121.20 121.96 1t2m s ILE 6 Ca 0.05 0.70 0.01 0.00 -1.10 0.00 0.00 60.65 60.30 1t2m s ILE 6 Cb -0.19 -3.72 -0.01 0.00 -1.06 0.00 0.00 42.46 37.48 1t2m s ILE 6 CO -0.07 0.27 -0.03 0.27 -0.10 0.00 0.00 174.94 175.28 1t2m s ILE 7 N 1.18 0.20 -0.12 2.92 -4.36 0.54 -4.91 121.20 116.66 1t2m s ILE 7 Ca 0.19 -0.37 -0.12 0.00 -0.26 0.00 0.00 60.65 60.08 1t2m s ILE 7 Cb -0.15 -0.23 -0.05 0.00 1.25 0.00 0.00 42.46 43.29 1t2m s ILE 7 CO 0.08 -0.11 0.28 -0.89 0.24 0.00 0.00 174.94 174.54 1t2m s THR 8 N -0.49 5.28 -0.13 8.37 2.01 -1.26 0.56 115.64 129.99 1t2m s THR 8 Ca -0.04 0.54 0.02 0.00 0.31 0.00 0.00 61.69 62.52 1t2m s THR 8 Cb -0.04 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1t2m s THR 8 CO -0.00 0.48 -0.19 0.54 -0.69 0.00 0.00 174.62 174.76 1t2m s VAL 9 N -0.21 2.40 -0.69 3.82 0.11 -0.79 -4.87 120.40 120.18 1t2m s VAL 9 Ca 0.18 -0.87 -0.24 0.00 -2.93 0.00 0.00 61.98 58.12 1t2m s VAL 9 Cb -0.14 -1.98 0.06 0.00 -1.53 0.00 0.00 36.38 32.80 1t2m s VAL 9 CO 0.06 0.54 1.05 -0.89 -3.33 0.00 0.00 175.10 172.52 1t2m s THR 10 N 0.63 4.18 0.21 5.04 2.01 -1.26 -2.54 115.64 123.92 1t2m s THR 10 Ca -0.10 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 61.78 1t2m s THR 10 Cb -0.16 -4.75 -0.04 0.00 0.01 0.00 0.00 72.50 67.56 1t2m s THR 10 CO 0.02 -1.56 0.11 -0.76 -0.69 0.00 0.00 174.62 171.75 1t2m s LEU 11 N 4.46 3.63 -0.04 4.42 1.43 0.13 -4.89 118.68 127.82 1t2m s LEU 11 Ca 0.26 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.12 1t2m s LEU 11 Cb -0.14 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 1t2m s LEU 11 CO 0.11 0.02 -0.24 -0.54 0.23 0.00 0.00 176.35 175.93 1t2m s LYS 12 N -3.44 2.31 -0.26 1.70 1.02 -1.26 0.32 119.74 120.13 1t2m s LYS 12 Ca 0.31 -0.88 -0.29 0.00 0.02 0.00 0.00 55.97 55.13 1t2m s LYS 12 Cb -0.09 -2.14 -0.01 0.00 -0.52 0.00 0.00 37.83 35.07 1t2m s LYS 12 CO 0.23 0.52 1.49 0.15 -0.92 0.00 0.00 175.35 176.81 1t2m s LYS 13 N -0.50 3.82 -0.26 1.68 1.02 -0.71 -4.82 119.74 119.98 1t2m s LYS 13 Ca 0.06 1.47 -0.00 0.00 0.02 0.00 0.00 55.97 57.52 1t2m s LYS 13 Cb -0.11 -3.98 -0.17 0.00 -0.52 0.00 0.00 37.83 33.05 1t2m s LYS 13 CO 0.01 -1.25 -0.21 0.94 -0.92 0.00 0.00 175.35 173.91 1t2m n GLN 14 N 7.56 0.65 -2.67 1.68 7.27 -1.26 -4.83 117.38 125.78 1t2m n GLN 14 Ca 0.17 0.17 -0.04 0.00 0.07 0.00 0.00 57.00 57.37 1t2m n GLN 14 Cb 0.46 -1.53 0.12 0.00 2.41 0.00 0.00 30.24 31.70 1t2m n GLN 14 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1t2m n ASN 15 N -3.38 -1.63 0.00 1.69 2.85 -1.26 -5.15 115.26 108.39 1t2m n ASN 15 Ca -0.46 -2.30 0.00 0.00 -0.11 0.00 0.00 54.58 51.71 1t2m n ASN 15 Cb 0.98 0.82 0.00 0.00 1.24 0.00 0.00 39.78 42.82 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 -1.15 -3.72 2.97 8.20 0.00 -1.26 -4.89 105.19 105.35 1t2m n GLY 16 Ca -0.12 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.76 1.79 -1.37 1.61 -1.94 -1.26 -4.66 119.30 112.71 1t2m s MET 17 Ca 0.00 -2.35 -0.13 0.00 -1.71 0.00 0.00 55.69 51.50 1t2m s MET 17 Cb 0.00 -3.26 0.09 0.00 2.01 0.00 0.00 34.83 33.67 1t2m s MET 17 CO 0.00 -1.05 2.02 0.41 -0.01 0.00 0.00 175.02 176.39 1t2m n GLY 18 N 3.52 4.34 2.88 -0.03 0.00 -1.26 -4.84 105.19 109.79 1t2m n GLY 18 Ca 0.05 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 44.13 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 1.51 -0.22 -0.01 0.99 1.02 -1.26 0.63 118.68 121.34 1t2m s LEU 19 Ca 0.45 0.23 -0.30 0.00 0.02 0.00 0.00 54.13 54.53 1t2m s LEU 19 Cb 0.11 0.56 -0.03 0.00 0.02 0.00 0.00 46.19 46.85 1t2m s LEU 19 CO -0.04 -0.28 0.98 -0.44 0.02 0.00 0.00 176.35 176.59 1t2m s SER 20 N 2.38 7.35 0.44 2.29 0.01 -0.58 -5.01 113.70 120.58 1t2m s SER 20 Ca 0.04 1.64 0.03 0.00 1.31 0.00 0.00 55.95 58.98 1t2m s SER 20 Cb -0.14 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1t2m s SER 20 CO -0.10 -0.28 0.05 0.27 0.41 0.00 0.00 173.24 173.59 1t2m s ILE 21 N 1.11 1.09 -0.01 1.44 -5.25 -1.26 -1.73 121.20 116.60 1t2m s ILE 21 Ca 0.51 -2.00 -0.22 0.00 -0.99 0.00 0.00 60.65 57.95 1t2m s ILE 21 Cb -0.21 -2.41 0.05 0.00 2.95 0.00 0.00 42.46 42.84 1t2m s ILE 21 CO 0.27 0.00 0.49 0.54 -1.79 0.00 0.00 174.94 174.45 1t2m s VAL 22 N -3.01 0.03 -0.30 8.37 0.11 -0.73 -4.85 120.40 120.01 1t2m s VAL 22 Ca 0.19 -0.27 -0.08 0.00 -2.93 0.00 0.00 61.98 58.90 1t2m s VAL 22 Cb 0.04 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 1t2m s VAL 22 CO 0.10 -0.15 0.10 0.00 -3.33 0.00 0.00 175.10 171.83 1t2m s ALA 23 N -1.63 3.13 0.38 1.54 0.00 -1.26 -0.20 121.76 123.72 1t2m s ALA 23 Ca -0.10 -1.43 -0.13 0.00 0.00 0.00 0.00 51.96 50.30 1t2m s ALA 23 Cb -0.02 -2.21 0.05 0.00 0.00 0.00 0.00 23.12 20.94 1t2m s ALA 23 CO 0.04 -0.91 0.73 0.00 0.00 0.00 0.00 175.76 175.63 1t2m n ALA 24 N 4.90 -1.56 -2.18 0.00 0.00 -1.13 -4.94 120.51 115.60 1t2m n ALA 24 Ca -0.14 -1.27 -0.21 0.00 0.00 0.00 0.00 53.44 51.81 1t2m n ALA 24 Cb 0.48 1.02 0.02 0.00 0.00 0.00 0.00 19.45 20.97 1t2m n ALA 24 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1t2m s LYS 25 N -2.17 2.85 0.00 0.00 1.02 -1.26 -2.68 119.74 117.50 1t2m s LYS 25 Ca 0.17 -0.71 0.00 0.00 0.02 0.00 0.00 55.97 55.45 1t2m s LYS 25 Cb -0.04 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 1t2m s LYS 25 CO 0.13 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 1t2m n GLY 26 N -2.12 4.66 3.69 -3.33 0.00 -1.24 -5.03 105.19 101.82 1t2m n GLY 26 Ca 0.04 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.50 3.30 -1.41 4.61 0.00 -1.26 -4.38 121.76 121.13 1t2m s ALA 27 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1t2m s ALA 27 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.85 1t2m s ALA 27 CO 0.00 0.68 0.00 0.41 0.00 0.00 0.00 175.76 176.85 1t2m n GLY 28 N 0.91 1.26 2.76 0.00 0.00 -1.26 -4.91 105.19 103.96 1t2m n GLY 28 Ca -0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.11 0.23 -0.23 1.61 -0.44 -1.26 -5.02 119.66 111.44 1t2m s GLN 29 Ca 0.00 0.15 0.06 0.00 -2.50 0.00 0.00 55.36 53.07 1t2m s GLN 29 Cb 0.00 -1.04 0.50 0.00 -1.64 0.00 0.00 33.01 30.83 1t2m s GLN 29 CO 0.00 -0.73 1.48 -3.47 0.50 0.00 0.00 175.29 173.07 1t2m n ASP 30 N 5.32 3.84 0.00 6.67 2.03 -1.26 -3.73 116.55 129.42 1t2m n ASP 30 Ca -0.05 -2.86 0.00 0.00 0.52 0.00 0.00 54.79 52.40 1t2m n ASP 30 Cb 0.49 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 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 3.94 -3.77 -0.67 4.01 -1.26 -5.09 118.16 115.21 1t2m n LYS 31 Ca 0.30 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.81 1t2m n LYS 31 Cb 1.10 0.00 -0.16 0.00 -0.51 0.00 0.00 35.03 35.46 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 1.57 0.00 -0.35 1.02 -1.26 -4.19 118.68 115.46 1t2m s LEU 32 Ca 0.00 -1.00 0.05 0.00 0.02 0.00 0.00 54.13 53.20 1t2m s LEU 32 Cb 0.00 -0.73 0.05 0.00 0.02 0.00 0.00 46.19 45.53 1t2m s LEU 32 CO 0.00 -0.31 0.43 0.61 0.02 0.00 0.00 176.35 177.10 1t2m n GLY 33 N 4.96 2.58 3.72 -3.19 0.00 -1.09 -1.54 105.19 110.61 1t2m n GLY 33 Ca -0.09 -2.26 -0.36 0.00 0.00 0.00 0.00 46.02 43.31 1t2m n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t2m s ILE 34 N -2.25 5.33 0.36 -0.61 -1.09 -0.96 -2.82 121.20 119.15 1t2m s ILE 34 Ca 0.33 0.42 0.08 0.00 -2.23 0.00 0.00 60.65 59.26 1t2m s ILE 34 Cb -0.03 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 1t2m s ILE 34 CO 0.21 0.38 0.09 -0.31 -1.23 0.00 0.00 174.94 174.08 1t2m s TYR 35 N 0.59 2.61 -0.32 3.97 1.51 0.72 0.89 117.35 127.32 1t2m s TYR 35 Ca 0.13 -0.45 -0.04 0.00 -1.01 0.00 0.00 57.07 55.70 1t2m s TYR 35 Cb -0.13 -1.64 0.05 0.00 -0.11 0.00 0.00 41.96 40.13 1t2m s TYR 35 CO 0.03 0.37 0.06 0.08 -1.11 0.00 0.00 175.55 174.98 1t2m s VAL 36 N -2.51 3.38 -0.00 0.71 1.01 0.13 -1.78 120.40 121.34 1t2m s VAL 36 Ca 0.37 -1.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1t2m s VAL 36 Cb 0.00 -2.94 -0.27 0.00 0.00 0.00 0.00 36.38 33.17 1t2m s VAL 36 CO 0.21 -0.16 0.83 0.07 0.00 0.00 0.00 175.10 176.05 1t2m h LYS 37 N 8.10 0.20 -2.08 2.72 2.10 -1.64 0.61 116.57 126.59 1t2m h LYS 37 Ca -0.22 -0.35 0.22 0.00 -2.00 0.00 0.00 60.65 58.31 1t2m h LYS 37 Cb 1.07 0.13 -0.09 0.00 -0.90 0.00 0.00 32.23 32.44 1t2m h LYS 37 CO 0.57 1.04 0.60 0.45 -2.00 0.00 0.00 179.45 180.11 1t2m s SER 38 N -6.86 -0.12 0.08 7.07 0.15 -1.21 -4.22 113.70 108.59 1t2m s SER 38 Ca -0.09 -0.35 0.05 0.00 0.70 0.00 0.00 55.95 56.27 1t2m s SER 38 Cb 0.07 0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 64.74 1t2m s SER 38 CO 0.84 -0.72 -0.14 -0.69 1.20 0.00 0.00 173.24 173.73 1t2m s VAL 39 N -2.92 1.13 -0.11 4.45 1.01 -1.26 -1.53 120.40 121.17 1t2m s VAL 39 Ca 0.14 -1.42 -0.06 0.00 0.00 0.00 0.00 61.98 60.64 1t2m s VAL 39 Cb 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1t2m s VAL 39 CO 0.01 -0.30 0.11 -0.69 0.00 0.00 0.00 175.10 174.23 1t2m s VAL 40 N -1.56 5.24 0.30 2.92 1.01 0.21 -4.97 120.40 123.56 1t2m s VAL 40 Ca 0.01 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1t2m s VAL 40 Cb -0.08 -3.27 -0.12 0.00 0.00 0.00 0.00 36.38 32.91 1t2m s VAL 40 CO 0.02 0.61 1.53 0.29 0.00 0.00 0.00 175.10 177.56 1t2m n LYS 41 N 2.04 2.57 0.00 2.72 4.76 -1.26 -2.38 118.16 126.61 1t2m n LYS 41 Ca -0.20 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.15 1t2m n LYS 41 Cb 0.55 -2.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.08 1t2m n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1t2m n GLY 42 N 1.75 3.19 3.75 0.72 0.00 -1.26 -5.04 105.19 108.31 1t2m n GLY 42 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.86 2.19 0.40 -0.02 0.00 -1.00 -4.78 107.32 101.24 1t2m s GLY 43 Ca 0.00 1.48 0.18 0.00 0.00 0.00 0.00 44.72 46.39 1t2m s GLY 43 CO 0.00 2.45 1.78 0.00 0.00 0.00 0.00 173.10 177.33 1t2m h ALA 44 N 4.92 2.22 0.05 3.20 0.00 -1.88 0.69 119.26 128.47 1t2m h ALA 44 Ca -0.47 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1t2m h ALA 44 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1t2m h ALA 44 CO 0.79 -0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.39 1t2m h ALA 45 N 1.62 -0.07 -0.14 0.00 0.00 -1.92 0.14 119.26 118.89 1t2m h ALA 45 Ca 0.59 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.39 1t2m h ALA 45 Cb 1.48 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1t2m h ALA 45 CO -0.29 -0.53 -0.23 0.22 0.00 0.00 0.00 179.25 178.42 1t2m h ASP 46 N -0.08 0.44 -0.65 0.00 1.82 -1.51 -2.10 116.42 114.33 1t2m h ASP 46 Ca -0.01 -0.53 0.01 0.00 -0.39 0.00 0.00 57.03 56.11 1t2m h ASP 46 Cb 0.07 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 39.92 1t2m h ASP 46 CO 0.01 0.89 0.43 0.58 -1.61 0.00 0.00 179.24 179.54 1t2m h VAL 47 N 0.01 1.16 -0.00 2.25 2.07 -0.88 -2.92 116.25 117.93 1t2m h VAL 47 Ca 0.01 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1t2m h VAL 47 Cb 0.80 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1t2m h VAL 47 CO 0.05 0.16 -0.01 -0.78 0.02 0.00 0.00 177.57 177.01 1t2m h ASP 48 N 0.87 0.02 -0.74 0.57 3.58 -0.70 -3.49 116.42 116.52 1t2m h ASP 48 Ca 0.24 -0.63 0.00 0.00 0.42 0.00 0.00 57.03 57.06 1t2m h ASP 48 Cb -0.08 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1t2m h ASP 48 CO -0.05 0.64 0.00 0.61 -2.88 0.00 0.00 179.24 177.56 1t2m n GLY 49 N 0.61 0.89 1.17 -0.78 0.00 -0.79 -5.07 105.19 101.22 1t2m n GLY 49 Ca -0.09 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.37 0.00 -4.66 1.61 5.12 -1.23 -5.10 116.66 112.03 1t2m n ARG 50 Ca 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 1t2m n ARG 50 Cb 0.12 -0.42 -0.09 0.00 -1.16 0.00 0.00 32.46 30.92 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 -5.94 2.34 0.00 0.55 0.05 -1.26 -5.14 118.68 109.28 1t2m s LEU 51 Ca 0.00 -1.58 -0.04 0.00 0.05 0.00 0.00 54.13 52.56 1t2m s LEU 51 Cb 0.00 -0.62 0.02 0.00 -2.05 0.00 0.00 46.19 43.54 1t2m s LEU 51 CO 0.00 -0.77 0.32 0.00 -0.55 0.00 0.00 176.35 175.35 1t2m n ALA 52 N -1.09 -0.52 -1.20 1.48 0.00 -1.26 -4.70 120.51 113.22 1t2m n ALA 52 Ca -0.13 -0.73 -0.30 0.00 0.00 0.00 0.00 53.44 52.29 1t2m n ALA 52 Cb 0.67 0.58 0.14 0.00 0.00 0.00 0.00 19.45 20.84 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 -1.86 1.44 -0.91 0.00 0.00 -1.26 -4.16 121.76 115.00 1t2m s ALA 53 Ca 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 1t2m s ALA 53 Cb -0.01 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1t2m s ALA 53 CO 0.08 -2.44 0.78 0.41 0.00 0.00 0.00 175.76 174.59 1t2m n GLY 54 N -1.12 -0.13 3.38 0.00 0.00 0.21 -4.99 105.19 102.54 1t2m n GLY 54 Ca 0.07 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.66 1.77 0.46 1.61 1.01 -1.08 -4.74 116.67 112.04 1t2m s ASP 55 Ca 0.18 -1.50 0.06 0.00 0.71 0.00 0.00 52.55 52.01 1t2m s ASP 55 Cb -0.08 0.26 -0.02 0.00 1.01 0.00 0.00 42.92 44.09 1t2m s ASP 55 CO 0.53 -0.80 0.25 -1.58 0.21 0.00 0.00 175.17 173.77 1t2m s GLN 56 N -3.88 2.26 -0.22 8.23 0.74 -0.80 0.21 119.66 126.21 1t2m s GLN 56 Ca 0.34 -1.92 -0.15 0.00 0.05 0.00 0.00 55.36 53.69 1t2m s GLN 56 Cb 0.06 -2.01 0.07 0.00 1.10 0.00 0.00 33.01 32.23 1t2m s GLN 56 CO 0.16 -0.29 0.56 -1.17 -0.55 0.00 0.00 175.29 173.99 1t2m s LEU 57 N -4.03 -0.42 0.03 3.68 2.96 0.26 -1.48 118.68 119.67 1t2m s LEU 57 Ca 0.36 1.19 -0.04 0.00 -0.22 0.00 0.00 54.13 55.42 1t2m s LEU 57 Cb 0.01 1.90 -0.01 0.00 0.50 0.00 0.00 46.19 48.59 1t2m s LEU 57 CO 0.21 -0.21 -0.08 0.18 -1.32 0.00 0.00 176.35 175.13 1t2m n LEU 58 N 3.83 1.24 -4.89 -0.68 7.99 -0.76 -2.27 117.00 121.45 1t2m n LEU 58 Ca -0.19 0.17 -0.34 0.00 -0.01 0.00 0.00 56.01 55.65 1t2m n LEU 58 Cb 0.57 -0.42 -0.05 0.00 -0.11 0.00 0.00 43.42 43.41 1t2m n LEU 58 CO 0.04 -0.64 -0.05 -0.55 -1.51 0.00 0.00 177.39 174.68 1t2m s SER 59 N -5.92 6.48 -0.03 -1.43 0.15 -1.26 -2.37 113.70 109.32 1t2m s SER 59 Ca -0.06 0.53 -0.01 0.00 0.70 0.00 0.00 55.95 57.11 1t2m s SER 59 Cb 0.01 -2.07 0.03 0.00 -1.71 0.00 0.00 66.02 62.28 1t2m s SER 59 CO 0.09 0.21 0.05 -0.69 1.20 0.00 0.00 173.24 174.10 1t2m s VAL 60 N -1.39 -0.08 -1.47 4.45 1.01 0.78 -1.04 120.40 122.66 1t2m s VAL 60 Ca 0.31 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.46 1t2m s VAL 60 Cb -0.13 -0.12 0.06 0.00 0.00 0.00 0.00 36.38 36.18 1t2m s VAL 60 CO 0.19 0.12 0.87 -0.67 0.00 0.00 0.00 175.10 175.61 1t2m n ASP 61 N 4.56 -5.17 0.00 3.32 2.03 0.20 -0.75 116.55 120.73 1t2m n ASP 61 Ca -0.20 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 54.53 1t2m n ASP 61 Cb 0.50 -4.14 0.00 0.00 -0.72 0.00 0.00 41.12 36.76 1t2m n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1t2m n GLY 62 N -1.63 2.72 3.92 0.27 0.00 -1.24 -4.85 105.19 104.37 1t2m n GLY 62 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.14 3.55 -0.32 1.61 0.52 0.07 -5.08 118.95 119.16 1t2m s ARG 63 Ca 0.00 -0.02 -0.02 0.00 -0.52 0.00 0.00 55.73 55.17 1t2m s ARG 63 Cb 0.00 -2.53 0.06 0.00 0.52 0.00 0.00 34.95 33.00 1t2m s ARG 63 CO 0.00 0.01 0.03 -1.12 0.02 0.00 0.00 175.30 174.24 1t2m s SER 64 N -3.86 4.95 -0.51 0.23 0.01 -1.26 -0.16 113.70 113.10 1t2m s SER 64 Ca 0.44 -1.42 -0.05 0.00 1.31 0.00 0.00 55.95 56.23 1t2m s SER 64 Cb -0.10 -1.73 0.13 0.00 0.21 0.00 0.00 66.02 64.53 1t2m s SER 64 CO 0.38 -0.31 0.33 -1.48 0.41 0.00 0.00 173.24 172.58 1t2m s LEU 65 N 1.22 5.43 -0.44 2.44 2.34 -1.00 -5.01 118.68 123.67 1t2m s LEU 65 Ca -0.02 -2.28 0.03 0.00 0.06 0.00 0.00 54.13 51.92 1t2m s LEU 65 Cb -0.20 -1.90 0.12 0.00 -0.56 0.00 0.00 46.19 43.65 1t2m s LEU 65 CO -0.02 -0.53 0.20 -0.69 -1.06 0.00 0.00 176.35 174.25 1t2m s VAL 66 N 0.79 1.90 0.00 1.48 1.01 -1.26 -4.71 120.40 119.61 1t2m s VAL 66 Ca 0.11 -2.67 0.00 0.00 0.00 0.00 0.00 61.98 59.42 1t2m s VAL 66 Cb -0.22 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1t2m s VAL 66 CO -0.03 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 174.88 1t2m n GLY 67 N 3.64 1.38 3.70 4.51 0.00 -0.59 -4.70 105.19 113.13 1t2m n GLY 67 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1t2m n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t2m s LEU 68 N 0.00 2.54 0.34 0.99 1.43 -1.15 -4.83 118.68 118.01 1t2m s LEU 68 Ca 0.00 -1.53 0.05 0.00 -1.03 0.00 0.00 54.13 51.61 1t2m s LEU 68 Cb 0.00 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 1t2m s LEU 68 CO 0.00 -0.68 0.50 -0.44 0.23 0.00 0.00 176.35 175.95 1t2m s SER 69 N -3.80 6.03 0.55 2.29 0.01 -1.26 -4.76 113.70 112.75 1t2m s SER 69 Ca 0.18 0.00 0.24 0.00 1.31 0.00 0.00 55.95 57.68 1t2m s SER 69 Cb 0.05 -1.47 1.46 0.00 0.21 0.00 0.00 66.02 66.27 1t2m s SER 69 CO 0.09 -0.41 2.08 -0.61 0.41 0.00 0.00 173.24 174.81 1t2m h GLN 70 N 0.84 0.00 -0.05 12.44 4.15 -1.96 -1.51 115.11 129.02 1t2m h GLN 70 Ca -0.47 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.94 1t2m h GLN 70 Cb 1.25 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.94 1t2m h GLN 70 CO 0.56 0.00 0.00 0.93 -1.93 0.00 0.00 178.83 178.39 1t2m h GLU 71 N 0.00 0.09 -0.29 1.69 5.08 -1.98 0.92 114.58 120.09 1t2m h GLU 71 Ca 0.12 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1t2m h GLU 71 Cb 0.51 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1t2m h GLU 71 CO -0.00 0.37 0.02 0.00 -1.00 0.00 0.00 179.01 178.40 1t2m h ARG 72 N -0.21 0.50 0.11 2.33 -0.00 -1.77 -0.64 114.38 114.71 1t2m h ARG 72 Ca 0.01 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.98 59.34 1t2m h ARG 72 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.25 1t2m h ARG 72 CO 0.00 0.63 -0.05 0.00 0.00 0.00 0.00 179.97 180.54 1t2m h ALA 73 N 0.85 -0.15 -0.70 0.04 0.00 -1.32 -0.57 119.26 117.41 1t2m h ALA 73 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1t2m h ALA 73 Cb 0.38 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1t2m h ALA 73 CO 0.01 -0.46 0.46 0.00 0.00 0.00 0.00 179.25 179.25 1t2m h ALA 74 N 0.46 1.48 -0.38 0.00 0.00 -0.85 0.88 119.26 120.86 1t2m h ALA 74 Ca -0.02 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1t2m h ALA 74 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1t2m h ALA 74 CO 0.03 0.47 -0.24 1.49 0.00 0.00 0.00 179.25 181.00 1t2m h GLU 75 N 0.96 0.77 -0.14 0.00 4.57 -0.98 -2.33 114.58 117.42 1t2m h GLU 75 Ca 0.26 -0.31 -0.21 0.00 -1.18 0.00 0.00 59.36 57.91 1t2m h GLU 75 Cb -0.09 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1t2m h GLU 75 CO -0.05 0.93 -0.72 -0.07 -1.18 0.00 0.00 179.01 177.91 1t2m h LEU 76 N 0.67 0.88 -1.44 1.64 3.38 -0.31 -2.27 115.31 117.86 1t2m h LEU 76 Ca 0.09 -0.63 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 1t2m h LEU 76 Cb 0.75 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1t2m h LEU 76 CO 0.06 1.37 -0.04 0.24 0.09 0.00 0.00 178.44 180.16 1t2m h MET 77 N 0.45 0.32 0.08 1.13 2.86 -0.80 -2.71 114.93 116.26 1t2m h MET 77 Ca -0.05 -0.06 -0.25 0.00 -2.06 0.00 0.00 59.70 57.28 1t2m h MET 77 Cb 1.36 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.96 1t2m h MET 77 CO 0.15 0.38 -1.15 0.00 1.06 0.00 0.00 176.91 177.36 1t2m h THR 78 N 0.31 1.56 -0.71 2.22 1.03 -1.41 -3.32 112.91 112.60 1t2m h THR 78 Ca 0.07 -3.12 -0.39 0.00 -0.01 0.00 0.00 66.41 62.96 1t2m h THR 78 Cb 0.28 2.88 -0.15 0.00 -1.07 0.00 0.00 68.15 70.09 1t2m h THR 78 CO 0.01 0.91 0.31 -2.11 -0.01 0.00 0.00 175.52 174.62 1t2m n ARG 79 N -3.50 2.10 -3.60 0.00 1.85 -0.86 -4.92 116.66 107.73 1t2m n ARG 79 Ca -0.06 -1.85 -0.21 0.00 -1.00 0.00 0.00 57.85 54.74 1t2m n ARG 79 Cb 0.98 -1.90 -0.03 0.00 -1.05 0.00 0.00 32.46 30.46 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 -1.86 2.89 0.00 8.89 -4.23 -1.24 -4.97 115.64 115.13 1t2m s THR 80 Ca 0.48 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1t2m s THR 80 Cb 0.31 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1t2m s THR 80 CO -0.11 -0.04 0.00 -0.24 -0.54 0.00 0.00 174.62 173.68 1t2m n SER 81 N -1.52 0.00 -0.37 3.99 2.88 -1.26 -4.95 113.62 112.39 1t2m n SER 81 Ca 0.02 -0.70 -0.02 0.00 -1.33 0.00 0.00 58.87 56.85 1t2m n SER 81 Cb 0.61 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.19 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 1.13 -3.14 -3.46 4.64 -1.96 -3.42 113.55 107.34 1t2m h SER 82 Ca 0.00 -0.03 -0.67 0.00 -0.47 0.00 0.00 61.79 60.63 1t2m h SER 82 Cb 0.00 -0.28 -0.12 0.00 -0.31 0.00 0.00 62.40 61.69 1t2m h SER 82 CO 0.00 0.82 -0.59 -0.69 -0.87 0.00 0.00 176.83 175.50 1t2m s VAL 83 N -6.10 4.63 0.01 0.95 1.01 -1.26 -1.73 120.40 117.91 1t2m s VAL 83 Ca -0.13 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1t2m s VAL 83 Cb 0.18 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1t2m s VAL 83 CO 0.82 0.48 -0.06 -0.69 0.00 0.00 0.00 175.10 175.64 1t2m s VAL 84 N -1.05 0.46 -0.17 2.92 1.01 0.15 -4.98 120.40 118.73 1t2m s VAL 84 Ca 0.18 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1t2m s VAL 84 Cb -0.12 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.84 1t2m s VAL 84 CO 0.08 -0.07 -0.16 0.42 0.00 0.00 0.00 175.10 175.37 1t2m s THR 85 N -0.59 1.82 -0.17 3.92 -4.23 -1.26 0.20 115.64 115.33 1t2m s THR 85 Ca -0.02 -0.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 1t2m s THR 85 Cb -0.05 -1.71 0.02 0.00 1.34 0.00 0.00 72.50 72.10 1t2m s THR 85 CO 0.00 0.44 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.56 1t2m s LEU 86 N 1.37 2.11 -0.91 4.79 1.02 -1.05 0.58 118.68 126.58 1t2m s LEU 86 Ca 0.04 -0.64 -0.23 0.00 0.02 0.00 0.00 54.13 53.32 1t2m s LEU 86 Cb -0.14 -1.46 0.06 0.00 0.02 0.00 0.00 46.19 44.67 1t2m s LEU 86 CO -0.11 0.01 1.34 -0.70 0.02 0.00 0.00 176.35 176.90 1t2m s GLU 87 N 1.22 3.46 0.05 1.70 2.12 -0.20 -1.88 118.70 125.17 1t2m s GLU 87 Ca 0.03 -0.96 -0.21 0.00 0.36 0.00 0.00 54.97 54.20 1t2m s GLU 87 Cb -0.13 -4.93 -0.06 0.00 0.26 0.00 0.00 34.13 29.26 1t2m s GLU 87 CO -0.11 -2.12 0.62 0.54 -0.54 0.00 0.00 175.26 173.65 1t2m s VAL 88 N 4.84 4.78 -0.20 3.70 0.11 0.19 -1.84 120.40 131.98 1t2m s VAL 88 Ca 0.40 1.31 -0.07 0.00 -2.93 0.00 0.00 61.98 60.70 1t2m s VAL 88 Cb -0.04 -3.96 -0.03 0.00 -1.53 0.00 0.00 36.38 30.82 1t2m s VAL 88 CO -0.02 0.48 0.04 0.00 -3.33 0.00 0.00 175.10 172.27 1t2m s ALA 89 N -0.62 3.24 -0.58 1.54 0.00 -0.55 -0.34 121.76 124.46 1t2m s ALA 89 Ca 0.31 -0.89 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 1t2m s ALA 89 Cb -0.19 -1.90 0.09 0.00 0.00 0.00 0.00 23.12 21.12 1t2m s ALA 89 CO 0.19 -0.04 0.70 0.15 0.00 0.00 0.00 175.76 176.76 1t2m s LYS 90 N 0.79 3.06 0.11 0.00 -0.14 -0.60 -1.91 119.74 121.05 1t2m s LYS 90 Ca 0.02 -1.21 0.02 0.00 -1.36 0.00 0.00 55.97 53.44 1t2m s LYS 90 Cb -0.14 -4.23 -0.01 0.00 -1.68 0.00 0.00 37.83 31.78 1t2m s LYS 90 CO 0.02 -1.48 0.07 0.00 -0.76 0.00 0.00 175.35 173.19 1t2m n GLN 91 N 6.35 0.46 0.00 1.68 0.00 -1.26 -3.37 117.38 121.24 1t2m n GLN 91 Ca -0.09 -1.02 0.00 0.00 0.00 0.00 0.00 57.00 55.89 1t2m n GLN 91 Cb 0.43 0.70 0.00 0.00 0.00 0.00 0.00 30.24 31.37 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 0.57 4.08 0.34 2.61 0.00 -1.26 -4.94 105.19 106.58 1t2m n GLY 92 Ca 0.00 -0.36 0.15 0.00 0.00 0.00 0.00 46.02 45.81 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32