#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 3.12 0.06 0.03 1.02 -1.26 -5.13 119.74 117.58 1t2m s LYS 2 Ca 0.00 -1.00 0.06 0.00 0.02 0.00 0.00 55.97 55.05 1t2m s LYS 2 Cb 0.00 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 1t2m s LYS 2 CO 0.00 0.06 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.12 1t2m s GLU 3 N -4.18 0.97 0.91 1.68 2.02 -1.26 -5.15 118.70 113.69 1t2m s GLU 3 Ca 0.45 -0.93 -0.12 0.00 0.02 0.00 0.00 54.97 54.40 1t2m s GLU 3 Cb -0.10 -1.04 0.14 0.00 0.10 0.00 0.00 34.13 33.23 1t2m s GLU 3 CO 0.31 0.25 1.09 -1.25 0.02 0.00 0.00 175.26 175.68 1t2m s PRO 4 N -1.51 1.16 -1.17 0.39 0.04 -1.26 -4.90 135.00 127.75 1t2m s PRO 4 Ca 0.02 0.80 -0.21 0.00 0.04 0.00 0.00 61.00 61.65 1t2m s PRO 4 Cb -0.09 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1t2m s PRO 4 CO 0.02 -2.30 1.78 -2.00 0.04 0.00 0.00 177.00 174.54 1t2m s GLU 5 N -4.93 3.30 -0.77 4.56 2.12 -1.24 -4.91 118.70 116.83 1t2m s GLU 5 Ca 0.64 -1.40 -0.18 0.00 0.36 0.00 0.00 54.97 54.38 1t2m s GLU 5 Cb -0.18 -5.36 0.13 0.00 0.26 0.00 0.00 34.13 28.97 1t2m s GLU 5 CO 0.57 -2.91 0.91 0.42 -0.54 0.00 0.00 175.26 173.70 1t2m s ILE 6 N 7.13 4.85 -0.12 -3.70 -1.09 -1.26 -0.82 121.20 126.18 1t2m s ILE 6 Ca 0.59 -1.37 -0.05 0.00 -2.23 0.00 0.00 60.65 57.58 1t2m s ILE 6 Cb 0.01 -4.62 -0.04 0.00 -1.58 0.00 0.00 42.46 36.23 1t2m s ILE 6 CO 0.06 -1.30 0.06 0.27 -1.23 0.00 0.00 174.94 172.80 1t2m s ILE 7 N 2.44 4.81 -0.08 2.92 -5.25 -0.61 -4.89 121.20 120.55 1t2m s ILE 7 Ca 0.22 -0.05 -0.21 0.00 -0.99 0.00 0.00 60.65 59.62 1t2m s ILE 7 Cb -0.14 -3.09 -0.04 0.00 2.95 0.00 0.00 42.46 42.14 1t2m s ILE 7 CO -0.02 0.57 0.60 -0.89 -1.79 0.00 0.00 174.94 173.41 1t2m s THR 8 N -0.56 5.09 -0.30 8.37 2.01 -1.26 -0.74 115.64 128.25 1t2m s THR 8 Ca 0.11 1.22 -0.03 0.00 0.31 0.00 0.00 61.69 63.30 1t2m s THR 8 Cb -0.12 -3.94 0.04 0.00 0.01 0.00 0.00 72.50 68.50 1t2m s THR 8 CO 0.02 0.30 0.01 0.68 -0.69 0.00 0.00 174.62 174.95 1t2m s VAL 9 N 0.59 3.18 -0.57 3.82 -7.23 0.25 -4.95 120.40 115.50 1t2m s VAL 9 Ca 0.32 -1.22 -0.19 0.00 -1.81 0.00 0.00 61.98 59.08 1t2m s VAL 9 Cb -0.17 -2.77 0.09 0.00 0.56 0.00 0.00 36.38 34.09 1t2m s VAL 9 CO 0.15 -0.05 0.69 -0.89 -0.31 0.00 0.00 175.10 174.69 1t2m s THR 10 N 1.31 4.82 0.28 5.32 2.01 -1.26 -2.60 115.64 125.52 1t2m s THR 10 Ca -0.03 -0.84 0.10 0.00 0.31 0.00 0.00 61.69 61.23 1t2m s THR 10 Cb -0.19 -4.44 -0.05 0.00 0.01 0.00 0.00 72.50 67.82 1t2m s THR 10 CO -0.01 -1.05 -0.14 -0.76 -0.69 0.00 0.00 174.62 171.98 1t2m s LEU 11 N 2.71 2.59 0.09 4.42 1.43 -0.82 -4.95 118.68 124.16 1t2m s LEU 11 Ca 0.13 -1.09 0.03 0.00 -1.03 0.00 0.00 54.13 52.16 1t2m s LEU 11 Cb -0.23 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1t2m s LEU 11 CO 0.08 -0.13 0.10 -0.54 0.23 0.00 0.00 176.35 176.09 1t2m s LYS 12 N -3.60 2.93 -0.36 1.70 3.01 -1.26 -0.32 119.74 121.84 1t2m s LYS 12 Ca 0.29 -0.70 -0.21 0.00 -1.01 0.00 0.00 55.97 54.33 1t2m s LYS 12 Cb -0.01 -2.74 0.00 0.00 -1.01 0.00 0.00 37.83 34.08 1t2m s LYS 12 CO 0.13 0.55 0.66 0.21 0.51 0.00 0.00 175.35 177.42 1t2m s LYS 13 N -2.53 3.67 -0.19 1.68 2.20 0.12 -4.89 119.74 119.80 1t2m s LYS 13 Ca 0.30 0.08 0.04 0.00 -0.36 0.00 0.00 55.97 56.03 1t2m s LYS 13 Cb -0.12 -3.82 -0.14 0.00 -1.51 0.00 0.00 37.83 32.25 1t2m s LYS 13 CO 0.23 -0.77 -0.13 0.00 -0.36 0.00 0.00 175.35 174.32 1t2m n GLN 14 N 6.12 0.68 -2.66 4.03 0.00 -1.26 -4.85 117.38 119.44 1t2m n GLN 14 Ca -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 57.00 57.05 1t2m n GLN 14 Cb 0.48 -1.39 0.13 0.00 0.00 0.00 0.00 30.24 29.46 1t2m n GLN 14 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1t2m n ASN 15 N -2.98 -1.56 0.00 2.61 6.94 -1.26 -5.10 115.26 113.92 1t2m n ASN 15 Ca -0.33 -2.26 0.00 0.00 -0.02 0.00 0.00 54.58 51.97 1t2m n ASN 15 Cb 0.89 0.77 0.00 0.00 -2.36 0.00 0.00 39.78 39.08 1t2m n ASN 15 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1t2m n GLY 16 N -1.30 -1.94 0.37 4.83 0.00 -1.26 -4.77 105.19 101.13 1t2m n GLY 16 Ca -0.14 -1.89 -0.18 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.02 0.39 -2.67 1.61 0.00 -1.26 -2.47 117.12 112.70 1t2m n MET 17 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 57.70 57.80 1t2m n MET 17 Cb 0.00 -1.18 0.01 0.00 0.00 0.00 0.00 33.22 32.05 1t2m n MET 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1t2m n GLY 18 N 2.03 -1.20 3.52 3.03 0.00 -1.26 -3.58 105.19 107.73 1t2m n GLY 18 Ca -0.34 0.95 -0.15 0.00 0.00 0.00 0.00 46.02 46.47 1t2m n GLY 18 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1t2m s LEU 19 N -2.56 -0.46 -0.86 0.99 0.05 -1.26 0.22 118.68 114.80 1t2m s LEU 19 Ca 0.18 1.00 -0.17 0.00 0.05 0.00 0.00 54.13 55.19 1t2m s LEU 19 Cb -0.05 2.28 0.17 0.00 -2.05 0.00 0.00 46.19 46.54 1t2m s LEU 19 CO 0.65 -0.39 0.94 -0.44 -0.55 0.00 0.00 176.35 176.56 1t2m s SER 20 N -0.37 6.65 0.37 1.48 0.01 0.93 -4.93 113.70 117.84 1t2m s SER 20 Ca -0.05 -2.27 0.03 0.00 1.31 0.00 0.00 55.95 54.97 1t2m s SER 20 Cb -0.03 -2.31 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 1t2m s SER 20 CO 0.05 -0.86 0.55 0.27 0.41 0.00 0.00 173.24 173.66 1t2m s ILE 21 N 1.61 4.36 -0.02 1.44 -4.36 -1.26 -1.33 121.20 121.64 1t2m s ILE 21 Ca 0.25 -0.71 -0.01 0.00 -0.26 0.00 0.00 60.65 59.92 1t2m s ILE 21 Cb -0.09 -3.57 0.01 0.00 1.25 0.00 0.00 42.46 40.06 1t2m s ILE 21 CO -0.08 -0.31 0.04 0.54 0.24 0.00 0.00 174.94 175.37 1t2m s VAL 22 N -2.33 -0.01 -0.75 8.37 0.11 0.17 -4.92 120.40 121.05 1t2m s VAL 22 Ca 0.44 0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 59.43 1t2m s VAL 22 Cb -0.10 -0.07 0.20 0.00 -1.53 0.00 0.00 36.38 34.88 1t2m s VAL 22 CO 0.34 0.01 0.63 0.00 -3.33 0.00 0.00 175.10 172.76 1t2m s ALA 23 N 0.18 3.88 0.42 1.54 0.00 -1.26 0.63 121.76 127.15 1t2m s ALA 23 Ca -0.01 -3.32 0.03 0.00 0.00 0.00 0.00 51.96 48.66 1t2m s ALA 23 Cb -0.02 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1t2m s ALA 23 CO -0.01 -2.21 0.08 0.00 0.00 0.00 0.00 175.76 173.62 1t2m s ALA 24 N 0.03 3.09 0.46 0.00 0.00 -1.05 -4.68 121.76 119.61 1t2m s ALA 24 Ca 0.18 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.92 1t2m s ALA 24 Cb -0.14 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.53 1t2m s ALA 24 CO -0.07 -0.25 0.64 0.21 0.00 0.00 0.00 175.76 176.30 1t2m s LYS 25 N -3.78 2.79 0.00 0.00 2.20 -1.26 -1.63 119.74 118.06 1t2m s LYS 25 Ca 0.23 -0.97 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 1t2m s LYS 25 Cb 0.04 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 1t2m s LYS 25 CO 0.12 -0.38 0.00 0.41 -0.36 0.00 0.00 175.35 175.14 1t2m n GLY 26 N -2.02 3.99 3.73 5.54 0.00 -1.26 -4.98 105.19 110.19 1t2m n GLY 26 Ca 0.06 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.19 3.39 -1.70 4.61 0.00 -1.26 -4.40 121.76 121.21 1t2m s ALA 27 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1t2m s ALA 27 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1t2m s ALA 27 CO 0.00 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.70 1t2m n GLY 28 N -0.10 1.53 2.73 0.00 0.00 -1.26 -4.90 105.19 103.18 1t2m n GLY 28 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.33 0.19 -0.46 1.61 -0.44 -1.26 -5.02 119.66 110.94 1t2m s GLN 29 Ca 0.00 0.10 -0.00 0.00 -2.50 0.00 0.00 55.36 52.96 1t2m s GLN 29 Cb 0.00 -1.21 0.39 0.00 -1.64 0.00 0.00 33.01 30.55 1t2m s GLN 29 CO 0.00 -0.72 1.94 -3.47 0.50 0.00 0.00 175.29 173.54 1t2m n ASP 30 N 5.31 6.17 0.00 6.67 2.03 -1.26 -4.17 116.55 131.30 1t2m n ASP 30 Ca -0.05 -3.40 0.00 0.00 0.52 0.00 0.00 54.79 51.86 1t2m n ASP 30 Cb 0.49 -0.95 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 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 -0.45 0.00 -3.73 -0.67 4.76 -1.26 -5.03 118.16 111.77 1t2m n LYS 31 Ca 0.47 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.62 1t2m n LYS 31 Cb 0.83 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.87 1t2m n LYS 31 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1t2m s LEU 32 N 0.00 1.88 0.26 -0.35 2.96 -1.26 -4.36 118.68 117.80 1t2m s LEU 32 Ca 0.00 -1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 52.34 1t2m s LEU 32 Cb 0.00 -0.78 -0.09 0.00 0.50 0.00 0.00 46.19 45.82 1t2m s LEU 32 CO 0.00 -0.38 0.76 -0.83 -1.32 0.00 0.00 176.35 174.58 1t2m s GLY 33 N 1.70 2.56 -0.68 7.98 0.00 -0.64 -3.06 107.32 115.17 1t2m s GLY 33 Ca 0.06 0.18 -0.23 0.00 0.00 0.00 0.00 44.72 44.74 1t2m s GLY 33 CO -0.20 0.51 1.00 -0.42 0.00 0.00 0.00 173.10 173.99 1t2m s ILE 34 N -1.66 4.30 0.19 0.90 -1.09 -0.96 -2.51 121.20 120.36 1t2m s ILE 34 Ca 0.47 -0.38 -0.12 0.00 -2.23 0.00 0.00 60.65 58.39 1t2m s ILE 34 Cb -0.15 -4.71 -0.07 0.00 -1.58 0.00 0.00 42.46 35.95 1t2m s ILE 34 CO 0.20 -1.50 0.55 -0.31 -1.23 0.00 0.00 174.94 172.65 1t2m s TYR 35 N 4.13 3.51 -0.27 3.97 2.02 0.20 0.60 117.35 131.51 1t2m s TYR 35 Ca 0.24 0.96 -0.10 0.00 -0.37 0.00 0.00 57.07 57.80 1t2m s TYR 35 Cb -0.15 -2.31 -0.04 0.00 -0.40 0.00 0.00 41.96 39.05 1t2m s TYR 35 CO 0.09 0.35 0.16 0.08 -1.57 0.00 0.00 175.55 174.65 1t2m s VAL 36 N -1.65 5.07 -0.18 0.71 1.01 0.15 0.45 120.40 125.97 1t2m s VAL 36 Ca 0.43 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.56 1t2m s VAL 36 Cb -0.13 -3.40 -0.22 0.00 0.00 0.00 0.00 36.38 32.63 1t2m s VAL 36 CO 0.20 0.29 0.14 0.29 0.00 0.00 0.00 175.10 176.01 1t2m n LYS 37 N 4.90 0.68 -3.46 2.72 5.02 -0.44 0.40 118.16 127.99 1t2m n LYS 37 Ca -0.15 0.15 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1t2m n LYS 37 Cb 0.52 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 1t2m n LYS 37 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1t2m s SER 38 N -6.26 -0.51 -0.10 4.39 0.15 -1.20 -4.22 113.70 105.96 1t2m s SER 38 Ca -0.20 0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.55 1t2m s SER 38 Cb 0.07 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 64.91 1t2m s SER 38 CO 0.74 -0.82 -0.18 -0.69 1.20 0.00 0.00 173.24 173.49 1t2m s VAL 39 N -3.28 1.67 -0.06 4.45 1.01 -1.26 -0.05 120.40 122.87 1t2m s VAL 39 Ca 0.01 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 1t2m s VAL 39 Cb -0.01 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1t2m s VAL 39 CO -0.10 0.47 1.57 -0.69 0.00 0.00 0.00 175.10 176.36 1t2m s VAL 40 N 0.64 3.66 -0.25 2.92 1.01 0.13 -4.91 120.40 123.60 1t2m s VAL 40 Ca -0.14 0.85 -0.28 0.00 0.00 0.00 0.00 61.98 62.41 1t2m s VAL 40 Cb -0.16 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1t2m s VAL 40 CO 0.04 -0.06 2.25 1.17 0.00 0.00 0.00 175.10 178.49 1t2m n LYS 41 N 6.77 1.83 0.00 2.72 0.00 -1.26 -1.71 118.16 126.51 1t2m n LYS 41 Ca 0.16 0.47 0.00 0.00 0.00 0.00 0.00 58.31 58.94 1t2m n LYS 41 Cb 0.43 -3.23 0.00 0.00 0.00 0.00 0.00 35.03 32.23 1t2m n LYS 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1t2m n GLY 42 N 5.84 1.56 3.75 3.14 0.00 -1.26 -5.09 105.19 113.12 1t2m n GLY 42 Ca 0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.99 1.86 0.31 -0.02 0.00 -0.69 -4.67 107.32 103.11 1t2m s GLY 43 Ca 0.00 0.45 0.08 0.00 0.00 0.00 0.00 44.72 45.25 1t2m s GLY 43 CO 0.00 0.82 1.70 0.00 0.00 0.00 0.00 173.10 175.62 1t2m h ALA 44 N -0.88 1.67 0.22 3.20 0.00 -1.54 0.90 119.26 122.83 1t2m h ALA 44 Ca -0.45 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1t2m h ALA 44 Cb 1.25 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1t2m h ALA 44 CO 0.50 -0.35 -0.11 0.00 0.00 0.00 0.00 179.25 179.30 1t2m h ALA 45 N 1.74 -0.30 -0.93 0.00 0.00 -1.81 0.70 119.26 118.67 1t2m h ALA 45 Ca 0.63 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1t2m h ALA 45 Cb 1.23 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1t2m h ALA 45 CO -0.52 -0.54 0.61 0.22 0.00 0.00 0.00 179.25 179.02 1t2m h ASP 46 N -0.55 1.08 -0.24 0.00 1.82 -1.55 -1.26 116.42 115.71 1t2m h ASP 46 Ca -0.03 -0.03 -0.18 0.00 -0.39 0.00 0.00 57.03 56.40 1t2m h ASP 46 Cb 0.41 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1t2m h ASP 46 CO 0.05 0.79 -0.55 0.58 -1.61 0.00 0.00 179.24 178.49 1t2m h VAL 47 N 1.26 1.29 0.39 2.25 2.07 -0.83 -3.31 116.25 119.37 1t2m h VAL 47 Ca 0.34 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 1t2m h VAL 47 Cb -0.13 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1t2m h VAL 47 CO -0.07 0.56 -0.19 0.44 0.02 0.00 0.00 177.57 178.33 1t2m h ASP 48 N 0.54 -0.44 -1.32 0.57 3.32 -0.55 -3.49 116.42 115.04 1t2m h ASP 48 Ca -0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1t2m h ASP 48 Cb 1.17 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1t2m h ASP 48 CO 0.12 -0.17 0.00 0.61 -1.72 0.00 0.00 179.24 178.08 1t2m n GLY 49 N -0.79 0.11 2.01 2.75 0.00 -0.50 -5.08 105.19 103.69 1t2m n GLY 49 Ca -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.23 0.00 -4.14 1.61 5.12 -1.26 -5.12 116.66 112.64 1t2m n ARG 50 Ca 0.00 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 1t2m n ARG 50 Cb 0.01 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.24 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 -5.28 3.14 0.00 0.55 0.05 -1.26 -5.13 118.68 110.75 1t2m s LEU 51 Ca 0.00 -0.97 0.00 0.00 0.05 0.00 0.00 54.13 53.21 1t2m s LEU 51 Cb 0.00 -1.53 0.00 0.00 -2.05 0.00 0.00 46.19 42.61 1t2m s LEU 51 CO 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 176.35 175.37 1t2m n ALA 52 N -1.18 0.00 -1.99 1.48 0.00 -1.26 -4.87 120.51 112.70 1t2m n ALA 52 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 1t2m n ALA 52 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 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 3.19 0.00 0.00 0.00 -1.26 -4.31 121.76 117.38 1t2m s ALA 53 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1t2m s ALA 53 Cb 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1t2m s ALA 53 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.40 1t2m n GLY 54 N -0.51 0.92 3.46 0.00 0.00 0.16 -4.99 105.19 104.24 1t2m n GLY 54 Ca 0.05 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.82 2.48 0.12 1.61 1.01 -1.06 -4.82 116.67 113.19 1t2m s ASP 55 Ca 0.00 -1.65 0.10 0.00 0.71 0.00 0.00 52.55 51.71 1t2m s ASP 55 Cb 0.00 0.46 -0.04 0.00 1.01 0.00 0.00 42.92 44.35 1t2m s ASP 55 CO 0.00 -0.92 -0.24 -1.58 0.21 0.00 0.00 175.17 172.64 1t2m s GLN 56 N -3.72 1.29 -0.10 8.23 0.74 -1.08 0.33 119.66 125.35 1t2m s GLN 56 Ca 0.28 -1.29 0.01 0.00 0.05 0.00 0.00 55.36 54.41 1t2m s GLN 56 Cb 0.03 -1.68 0.02 0.00 1.10 0.00 0.00 33.01 32.48 1t2m s GLN 56 CO 0.16 0.39 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.68 1t2m s LEU 57 N -2.04 1.43 -0.10 3.68 1.43 0.20 0.86 118.68 124.14 1t2m s LEU 57 Ca 0.11 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 1t2m s LEU 57 Cb -0.10 -0.89 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 1t2m s LEU 57 CO 0.05 -0.05 -0.17 0.18 0.23 0.00 0.00 176.35 176.60 1t2m n LEU 58 N 4.48 1.19 -4.63 1.79 4.77 -1.06 -2.25 117.00 121.28 1t2m n LEU 58 Ca -0.17 0.35 -0.29 0.00 -0.03 0.00 0.00 56.01 55.87 1t2m n LEU 58 Cb 0.51 -0.69 -0.09 0.00 -2.33 0.00 0.00 43.42 40.82 1t2m n LEU 58 CO 0.21 -0.42 -0.37 -0.44 -1.33 0.00 0.00 177.39 175.04 1t2m s SER 59 N -5.07 4.66 -0.03 -1.43 0.01 -1.26 0.18 113.70 110.75 1t2m s SER 59 Ca -0.14 -0.35 -0.01 0.00 1.31 0.00 0.00 55.95 56.75 1t2m s SER 59 Cb 0.02 -0.97 0.03 0.00 0.21 0.00 0.00 66.02 65.31 1t2m s SER 59 CO 0.21 0.14 0.07 -0.69 0.41 0.00 0.00 173.24 173.38 1t2m s VAL 60 N -1.44 -0.04 -1.60 3.43 1.01 0.14 -2.15 120.40 119.75 1t2m s VAL 60 Ca 0.25 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1t2m s VAL 60 Cb -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1t2m s VAL 60 CO 0.16 0.06 0.00 -0.67 0.00 0.00 0.00 175.10 174.66 1t2m n ASP 61 N 3.93 -5.07 0.00 3.32 2.03 -0.07 -0.88 116.55 119.81 1t2m n ASP 61 Ca -0.24 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1t2m n ASP 61 Cb 0.53 -4.31 0.00 0.00 -0.72 0.00 0.00 41.12 36.61 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 -0.80 1.42 3.51 0.27 0.00 -1.18 -4.80 105.19 103.61 1t2m n GLY 62 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1t2m n GLY 62 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t2m s ARG 63 N -0.47 3.09 0.10 1.61 1.70 -0.06 -5.09 118.95 119.83 1t2m s ARG 63 Ca 0.00 -0.58 -0.31 0.00 -0.47 0.00 0.00 55.73 54.37 1t2m s ARG 63 Cb 0.00 -2.66 -0.07 0.00 -0.57 0.00 0.00 34.95 31.65 1t2m s ARG 63 CO 0.00 0.46 1.29 -1.12 -1.08 0.00 0.00 175.30 174.85 1t2m s SER 64 N -0.26 6.96 -0.34 -2.89 0.01 -1.26 0.27 113.70 116.18 1t2m s SER 64 Ca 0.03 2.18 0.07 0.00 1.31 0.00 0.00 55.95 59.54 1t2m s SER 64 Cb -0.13 -2.58 0.49 0.00 0.21 0.00 0.00 66.02 64.01 1t2m s SER 64 CO 0.03 -0.55 1.48 0.18 0.41 0.00 0.00 173.24 174.79 1t2m n LEU 65 N 3.81 4.81 -4.15 2.44 4.77 0.13 -4.89 117.00 123.92 1t2m n LEU 65 Ca 0.10 -4.08 -0.39 0.00 -0.03 0.00 0.00 56.01 51.60 1t2m n LEU 65 Cb 0.44 -0.62 -0.08 0.00 -2.33 0.00 0.00 43.42 40.84 1t2m n LEU 65 CO 0.57 1.50 0.13 0.54 -1.33 0.00 0.00 177.39 178.80 1t2m s VAL 66 N -3.78 4.16 0.00 4.08 0.11 -1.23 -4.41 120.40 119.34 1t2m s VAL 66 Ca 0.49 -2.86 0.00 0.00 -2.93 0.00 0.00 61.98 56.68 1t2m s VAL 66 Cb 0.42 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.60 1t2m s VAL 66 CO 0.00 -0.92 0.00 0.61 -3.33 0.00 0.00 175.10 171.47 1t2m n GLY 67 N 3.58 1.01 0.00 6.54 0.00 -1.17 -4.57 105.19 110.57 1t2m n GLY 67 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1t2m n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t2m n LEU 68 N 0.00 0.00 -5.00 0.99 4.77 -1.26 -4.62 117.00 111.88 1t2m n LEU 68 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 1t2m n LEU 68 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1t2m n LEU 68 CO 0.00 -0.48 0.19 -0.55 -1.33 0.00 0.00 177.39 175.22 1t2m s SER 69 N -1.00 5.60 0.49 -1.43 0.15 -1.26 -4.66 113.70 111.59 1t2m s SER 69 Ca 0.00 -0.31 0.20 0.00 0.70 0.00 0.00 55.95 56.54 1t2m s SER 69 Cb 0.00 -0.75 1.25 0.00 -1.71 0.00 0.00 66.02 64.82 1t2m s SER 69 CO 0.00 -0.82 2.00 -0.61 1.20 0.00 0.00 173.24 175.01 1t2m h GLN 70 N 0.53 0.15 -0.07 5.44 4.15 -1.96 -1.81 115.11 121.53 1t2m h GLN 70 Ca -0.41 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 58.97 1t2m h GLN 70 Cb 1.28 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.94 1t2m h GLN 70 CO 0.47 0.10 -0.08 1.49 -1.93 0.00 0.00 178.83 178.88 1t2m h GLU 71 N 0.15 0.18 -0.92 1.69 4.81 -1.98 -1.24 114.58 117.27 1t2m h GLU 71 Ca 0.25 -0.10 0.09 0.00 -0.13 0.00 0.00 59.36 59.47 1t2m h GLU 71 Cb 0.77 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.09 1t2m h GLU 71 CO -0.03 0.62 0.60 0.00 -0.73 0.00 0.00 179.01 179.46 1t2m h ARG 72 N -0.25 0.94 0.13 1.92 2.47 -1.72 0.27 114.38 118.14 1t2m h ARG 72 Ca 0.01 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1t2m h ARG 72 Cb 0.59 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1t2m h ARG 72 CO 0.02 0.62 -0.06 0.00 0.56 0.00 0.00 179.97 181.11 1t2m h ALA 73 N 1.53 -0.18 -0.85 0.04 0.00 -1.44 -1.71 119.26 116.66 1t2m h ALA 73 Ca 0.42 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1t2m h ALA 73 Cb 0.34 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1t2m h ALA 73 CO -0.18 -0.29 0.55 0.00 0.00 0.00 0.00 179.25 179.33 1t2m h ALA 74 N -0.13 1.55 -0.05 0.00 0.00 -0.96 0.42 119.26 120.10 1t2m h ALA 74 Ca -0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1t2m h ALA 74 Cb 0.54 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1t2m h ALA 74 CO 0.03 0.33 -0.73 1.49 0.00 0.00 0.00 179.25 180.37 1t2m h GLU 75 N 0.97 0.29 0.22 0.00 4.81 -0.52 -2.48 114.58 117.86 1t2m h GLU 75 Ca 0.36 -0.24 -0.32 0.00 -0.13 0.00 0.00 59.36 59.02 1t2m h GLU 75 Cb 0.18 0.05 0.03 0.00 0.63 0.00 0.00 28.75 29.64 1t2m h GLU 75 CO -0.13 0.89 -1.42 -0.07 -0.73 0.00 0.00 179.01 177.56 1t2m h LEU 76 N 0.19 0.79 -1.02 1.64 3.38 -0.51 -2.97 115.31 116.80 1t2m h LEU 76 Ca -0.03 -0.83 -0.08 0.00 0.09 0.00 0.00 57.88 57.03 1t2m h LEU 76 Cb 1.29 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1t2m h LEU 76 CO 0.12 1.64 -0.19 0.24 0.09 0.00 0.00 178.44 180.34 1t2m h MET 77 N 0.15 0.48 -0.22 1.13 2.86 -0.24 -2.93 114.93 116.16 1t2m h MET 77 Ca -0.23 -0.16 -0.18 0.00 -2.06 0.00 0.00 59.70 57.07 1t2m h MET 77 Cb 2.11 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 33.73 1t2m h MET 77 CO 0.26 0.65 -0.59 0.00 1.06 0.00 0.00 176.91 178.29 1t2m h THR 78 N 0.43 1.30 -1.23 2.22 1.03 -1.52 -3.28 112.91 111.86 1t2m h THR 78 Ca 0.07 -1.81 -0.70 0.00 -0.01 0.00 0.00 66.41 63.96 1t2m h THR 78 Cb 0.58 1.76 -0.15 0.00 -1.07 0.00 0.00 68.15 69.27 1t2m h THR 78 CO 0.04 0.58 1.92 0.54 -0.01 0.00 0.00 175.52 178.58 1t2m n ARG 79 N -3.97 4.24 -4.18 0.00 1.74 -1.11 -4.95 116.66 108.44 1t2m n ARG 79 Ca -0.04 -3.35 -0.22 0.00 -0.77 0.00 0.00 57.85 53.46 1t2m n ARG 79 Cb 0.64 -2.52 -0.06 0.00 -1.02 0.00 0.00 32.46 29.50 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 -1.66 3.77 1.03 0.55 -4.23 -1.24 -4.94 115.64 108.93 1t2m s THR 80 Ca 0.54 -1.67 -0.17 0.00 -1.18 0.00 0.00 61.69 59.20 1t2m s THR 80 Cb 0.23 -3.08 0.25 0.00 1.34 0.00 0.00 72.50 71.23 1t2m s THR 80 CO -0.13 -0.33 1.15 -1.20 -0.54 0.00 0.00 174.62 173.57 1t2m n SER 81 N -1.05 -0.90 -0.33 3.99 7.64 -1.26 -4.93 113.62 116.78 1t2m n SER 81 Ca -0.06 -1.30 0.11 0.00 1.01 0.00 0.00 58.87 58.62 1t2m n SER 81 Cb 0.59 -0.95 0.32 0.00 -1.01 0.00 0.00 64.21 63.15 1t2m n SER 81 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1t2m h SER 82 N -2.11 0.78 -3.26 6.43 0.02 -1.96 -3.40 113.55 110.05 1t2m h SER 82 Ca -0.40 0.06 -0.66 0.00 -0.84 0.00 0.00 61.79 59.95 1t2m h SER 82 Cb 1.15 -0.10 -0.16 0.00 0.14 0.00 0.00 62.40 63.44 1t2m h SER 82 CO 0.27 0.37 -0.61 -0.69 -1.14 0.00 0.00 176.83 175.04 1t2m s VAL 83 N -5.82 4.43 0.02 2.27 1.01 -1.26 0.16 120.40 121.21 1t2m s VAL 83 Ca -0.11 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1t2m s VAL 83 Cb 0.23 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 1t2m s VAL 83 CO 0.80 0.56 -0.20 -0.69 0.00 0.00 0.00 175.10 175.57 1t2m s VAL 84 N -0.43 1.62 -0.33 2.92 1.01 0.56 -4.96 120.40 120.80 1t2m s VAL 84 Ca 0.08 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1t2m s VAL 84 Cb -0.12 -1.38 0.10 0.00 0.00 0.00 0.00 36.38 34.98 1t2m s VAL 84 CO 0.02 0.31 0.06 -0.89 0.00 0.00 0.00 175.10 174.61 1t2m s THR 85 N -0.65 1.76 -0.05 3.92 2.01 -1.26 -1.93 115.64 119.44 1t2m s THR 85 Ca 0.07 -1.99 0.04 0.00 0.31 0.00 0.00 61.69 60.13 1t2m s THR 85 Cb -0.08 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 1t2m s THR 85 CO 0.01 -0.62 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.39 1t2m s LEU 86 N 1.17 2.60 -0.45 4.42 1.02 -1.07 -0.89 118.68 125.48 1t2m s LEU 86 Ca 0.10 -0.26 -0.09 0.00 0.02 0.00 0.00 54.13 53.91 1t2m s LEU 86 Cb -0.18 -1.52 0.11 0.00 0.02 0.00 0.00 46.19 44.62 1t2m s LEU 86 CO -0.14 0.33 0.31 -1.83 0.02 0.00 0.00 176.35 175.04 1t2m s GLU 87 N -0.63 2.47 0.04 1.70 -1.05 -0.91 0.88 118.70 121.20 1t2m s GLU 87 Ca 0.09 -1.69 -0.20 0.00 -0.15 0.00 0.00 54.97 53.02 1t2m s GLU 87 Cb -0.11 -3.86 -0.06 0.00 -0.44 0.00 0.00 34.13 29.66 1t2m s GLU 87 CO 0.01 -1.13 0.58 0.54 0.95 0.00 0.00 175.26 176.22 1t2m s VAL 88 N 1.36 4.81 -0.28 1.83 0.11 0.09 -2.58 120.40 125.74 1t2m s VAL 88 Ca 0.05 1.24 -0.15 0.00 -2.93 0.00 0.00 61.98 60.19 1t2m s VAL 88 Cb -0.25 -3.92 -0.03 0.00 -1.53 0.00 0.00 36.38 30.65 1t2m s VAL 88 CO -0.00 0.49 0.37 0.00 -3.33 0.00 0.00 175.10 172.63 1t2m s ALA 89 N -0.67 3.55 -0.34 1.54 0.00 0.25 -1.58 121.76 124.51 1t2m s ALA 89 Ca 0.30 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 1t2m s ALA 89 Cb -0.19 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 1t2m s ALA 89 CO 0.18 -0.72 0.25 0.15 0.00 0.00 0.00 175.76 175.62 1t2m s LYS 90 N 2.07 3.53 0.00 0.00 1.02 -0.00 -2.64 119.74 123.72 1t2m s LYS 90 Ca 0.15 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.53 1t2m s LYS 90 Cb -0.16 -3.80 0.00 0.00 -0.52 0.00 0.00 37.83 33.35 1t2m s LYS 90 CO 0.10 -0.43 0.00 0.00 -0.92 0.00 0.00 175.35 174.10 1t2m n GLN 91 N 5.12 0.00 0.00 1.68 0.00 -1.26 -3.72 117.38 119.20 1t2m n GLN 91 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.88 1t2m n GLN 91 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.74 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 0.00 0.67 0.00 2.61 0.00 -1.26 -5.05 105.19 102.16 1t2m n GLY 92 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1t2m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32