#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d90 s SER 2 N 0.00 3.07 -0.18 1.61 1.04 -1.26 -5.09 113.70 112.89 2d90 s SER 2 Ca 0.00 -1.25 -0.17 0.00 0.48 0.00 0.00 55.95 55.01 2d90 s SER 2 Cb 0.00 -0.23 -0.06 0.00 0.10 0.00 0.00 66.02 65.83 2d90 s SER 2 CO 0.00 -0.37 -0.33 -1.20 0.98 0.00 0.00 173.24 172.32 2d90 n SER 3 N -0.70 1.92 -4.63 7.02 7.64 -1.26 -4.92 113.62 118.69 2d90 n SER 3 Ca -0.05 0.37 -0.40 0.00 1.01 0.00 0.00 58.87 59.80 2d90 n SER 3 Cb 0.64 -0.76 -0.07 0.00 -1.01 0.00 0.00 64.21 63.01 2d90 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d90 s GLY 4 N -4.87 1.90 0.38 0.23 0.00 -1.26 -4.94 107.32 98.77 2d90 s GLY 4 Ca -0.28 -0.54 0.21 0.00 0.00 0.00 0.00 44.72 44.11 2d90 s GLY 4 CO 0.41 1.20 1.65 1.48 0.00 0.00 0.00 173.10 177.84 2d90 h SER 5 N 7.85 0.40 -4.35 1.64 4.64 -2.06 -3.40 113.55 118.28 2d90 h SER 5 Ca -0.30 0.17 -0.51 0.00 -0.47 0.00 0.00 61.79 60.68 2d90 h SER 5 Cb 1.14 0.14 0.06 0.00 -0.31 0.00 0.00 62.40 63.43 2d90 h SER 5 CO 0.72 -0.17 0.42 -0.44 -0.87 0.00 0.00 176.83 176.49 2d90 s SER 6 N -4.76 6.21 0.00 4.97 0.01 -1.26 -4.93 113.70 113.94 2d90 s SER 6 Ca -0.09 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2d90 s SER 6 Cb 0.30 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 64.06 2d90 s SER 6 CO 0.80 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2d90 n GLY 7 N -2.65 -1.58 3.15 3.44 0.00 -1.26 -5.01 105.19 101.29 2d90 n GLY 7 Ca 0.06 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 2d90 n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2d90 s ARG 8 N -4.63 2.39 -0.11 1.61 1.70 0.43 -4.92 118.95 115.43 2d90 s ARG 8 Ca 0.00 -0.70 -0.29 0.00 -0.47 0.00 0.00 55.73 54.26 2d90 s ARG 8 Cb 0.00 -1.90 -0.01 0.00 -0.57 0.00 0.00 34.95 32.47 2d90 s ARG 8 CO 0.00 0.17 1.00 0.08 -1.08 0.00 0.00 175.30 175.47 2d90 s VAL 9 N 0.33 4.79 0.27 4.99 1.01 -1.26 -2.37 120.40 128.15 2d90 s VAL 9 Ca -0.13 2.04 0.11 0.00 0.00 0.00 0.00 61.98 63.99 2d90 s VAL 9 Cb -0.16 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 2d90 s VAL 9 CO 0.06 0.01 -0.12 -0.69 0.00 0.00 0.00 175.10 174.36 2d90 s VAL 10 N 2.01 2.89 0.00 2.92 1.01 0.25 -4.95 120.40 124.53 2d90 s VAL 10 Ca 0.48 -2.19 -0.01 0.00 0.00 0.00 0.00 61.98 60.26 2d90 s VAL 10 Cb -0.18 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 2d90 s VAL 10 CO 0.18 -0.38 0.01 -0.69 0.00 0.00 0.00 175.10 174.22 2d90 s VAL 11 N -2.41 0.05 -0.01 2.92 1.01 -1.26 0.16 120.40 120.86 2d90 s VAL 11 Ca 0.30 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 2d90 s VAL 11 Cb -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.17 2d90 s VAL 11 CO 0.17 -0.22 0.15 -0.63 0.00 0.00 0.00 175.10 174.57 2d90 s ILE 12 N -0.65 0.07 -0.12 2.22 1.01 -0.42 -4.66 121.20 118.65 2d90 s ILE 12 Ca -0.07 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 2d90 s ILE 12 Cb -0.04 -0.41 0.03 0.00 0.01 0.00 0.00 42.46 42.04 2d90 s ILE 12 CO -0.00 -0.32 -0.09 -0.54 0.00 0.00 0.00 174.94 173.99 2d90 s LYS 13 N -1.15 1.67 0.64 2.79 1.02 -1.26 -1.08 119.74 122.36 2d90 s LYS 13 Ca -0.12 -0.33 -0.18 0.00 0.02 0.00 0.00 55.97 55.36 2d90 s LYS 13 Cb -0.07 -1.72 -0.13 0.00 -0.52 0.00 0.00 37.83 35.40 2d90 s LYS 13 CO 0.01 -0.27 -0.11 1.17 -0.92 0.00 0.00 175.35 175.23 2d90 n LYS 14 N 4.91 0.08 0.00 1.68 4.81 -0.18 -4.74 118.16 124.71 2d90 n LYS 14 Ca -0.13 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 2d90 n LYS 14 Cb 0.50 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 34.38 2d90 n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2d90 n GLY 15 N 2.52 3.72 0.18 3.14 0.00 -1.24 -5.00 105.19 108.50 2d90 n GLY 15 Ca 0.07 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 2d90 n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d90 n SER 16 N 0.00 1.89 -2.92 1.61 3.41 -1.26 -4.60 113.62 111.75 2d90 n SER 16 Ca 0.00 0.23 -0.39 0.00 -0.26 0.00 0.00 58.87 58.46 2d90 n SER 16 Cb 0.00 -0.70 0.03 0.00 -0.26 0.00 0.00 64.21 63.29 2d90 n SER 16 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2d90 n ASN 17 N -3.99 7.20 -0.35 4.04 4.13 -1.26 -5.04 115.26 119.98 2d90 n ASN 17 Ca -0.50 -3.82 0.00 0.00 1.68 0.00 0.00 54.58 51.94 2d90 n ASN 17 Cb 0.88 -1.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 2d90 n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d90 n GLY 18 N -0.50 -0.11 0.16 7.41 0.00 -1.26 -4.11 105.19 106.78 2d90 n GLY 18 Ca 0.52 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 2d90 n GLY 18 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2d90 h TYR 19 N 0.00 -0.28 0.00 1.61 0.05 -1.95 -3.29 116.97 113.11 2d90 h TYR 19 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2d90 h TYR 19 Cb 0.00 0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.83 2d90 h TYR 19 CO 0.00 0.02 0.00 0.41 -1.05 0.00 0.00 178.16 177.54 2d90 n GLY 20 N -0.46 1.69 3.71 3.88 0.00 -1.26 -1.97 105.19 110.79 2d90 n GLY 20 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2d90 n GLY 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d90 s PHE 21 N -1.72 3.16 0.23 1.61 -0.71 -1.26 -1.20 117.98 118.08 2d90 s PHE 21 Ca 0.00 0.15 0.09 0.00 -1.04 0.00 0.00 56.93 56.13 2d90 s PHE 21 Cb 0.00 -1.72 -0.04 0.00 -1.21 0.00 0.00 43.02 40.05 2d90 s PHE 21 CO 0.00 0.49 -0.06 0.71 -1.34 0.00 0.00 175.22 175.02 2d90 s TYR 22 N -1.07 2.63 -0.01 3.49 2.02 -1.12 -5.00 117.35 118.29 2d90 s TYR 22 Ca 0.19 -0.23 0.07 0.00 -0.37 0.00 0.00 57.07 56.72 2d90 s TYR 22 Cb -0.12 -1.22 -0.02 0.00 -0.40 0.00 0.00 41.96 40.20 2d90 s TYR 22 CO 0.09 0.58 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.93 2d90 s LEU 23 N -3.28 2.38 -0.00 -1.29 1.43 -1.26 -2.92 118.68 113.74 2d90 s LEU 23 Ca 0.28 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 2d90 s LEU 23 Cb -0.07 -1.43 -0.00 0.00 0.03 0.00 0.00 46.19 44.71 2d90 s LEU 23 CO 0.17 0.31 -0.03 -0.60 0.23 0.00 0.00 176.35 176.43 2d90 s ARG 24 N -0.85 0.25 -0.51 1.70 3.52 -0.56 -4.95 118.95 117.55 2d90 s ARG 24 Ca 0.11 -0.14 -0.26 0.00 -0.13 0.00 0.00 55.73 55.31 2d90 s ARG 24 Cb -0.10 -0.23 -0.05 0.00 -1.56 0.00 0.00 34.95 33.01 2d90 s ARG 24 CO 0.01 0.06 2.16 0.00 -0.81 0.00 0.00 175.30 176.72 2d90 s ALA 25 N -0.14 1.97 1.17 6.12 0.00 -1.26 -1.95 121.76 127.66 2d90 s ALA 25 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 2d90 s ALA 25 Cb -0.02 -4.29 0.25 0.00 0.00 0.00 0.00 23.12 19.06 2d90 s ALA 25 CO -0.00 -4.04 0.98 0.41 0.00 0.00 0.00 175.76 173.10 2d90 n GLY 26 N 5.84 -2.44 1.54 0.00 0.00 -1.26 -4.97 105.19 103.90 2d90 n GLY 26 Ca 0.30 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 2d90 n GLY 26 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d90 n PRO 27 N -4.15 -1.96 -0.57 1.61 -0.04 -1.26 -4.77 135.00 123.86 2d90 n PRO 27 Ca 0.13 -0.77 0.43 0.00 -0.04 0.00 0.00 63.50 63.26 2d90 n PRO 27 Cb 0.50 -0.72 0.67 0.00 -0.04 0.00 0.00 33.50 33.91 2d90 n PRO 27 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2d90 n GLU 28 N -2.98 -0.00 -1.43 0.54 -0.58 -1.26 -4.51 120.64 110.42 2d90 n GLU 28 Ca 0.07 0.92 -0.41 0.00 -0.42 0.00 0.00 57.16 57.32 2d90 n GLU 28 Cb 0.26 -2.08 0.01 0.00 -0.57 0.00 0.00 31.44 29.06 2d90 n GLU 28 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2d90 n GLN 29 N -3.69 0.47 -2.89 3.49 1.13 -1.26 -4.89 117.38 109.75 2d90 n GLN 29 Ca 0.37 0.17 -0.42 0.00 -1.94 0.00 0.00 57.00 55.19 2d90 n GLN 29 Cb 1.64 -1.46 -0.04 0.00 0.11 0.00 0.00 30.24 30.49 2d90 n GLN 29 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2d90 s LYS 30 N -1.57 4.25 0.00 -1.09 3.01 -1.26 -4.89 119.74 118.18 2d90 s LYS 30 Ca 0.63 0.98 0.00 0.00 -1.01 0.00 0.00 55.97 56.57 2d90 s LYS 30 Cb -0.57 -3.60 0.00 0.00 -1.01 0.00 0.00 37.83 32.64 2d90 s LYS 30 CO 0.58 -0.41 0.00 0.41 0.51 0.00 0.00 175.35 176.44 2d90 n GLY 31 N 3.59 3.02 3.94 -3.33 0.00 -1.23 -4.72 105.19 106.47 2d90 n GLY 31 Ca 0.05 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.93 2d90 n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d90 s GLN 32 N -3.39 1.64 -0.06 1.61 -1.52 -1.02 -4.35 119.66 112.57 2d90 s GLN 32 Ca 0.00 -0.46 0.05 0.00 -1.95 0.00 0.00 55.36 52.99 2d90 s GLN 32 Cb 0.00 -2.10 -0.00 0.00 -0.22 0.00 0.00 33.01 30.68 2d90 s GLN 32 CO 0.00 -1.63 -0.21 0.42 -0.25 0.00 0.00 175.29 173.62 2d90 s ILE 33 N -3.42 1.74 0.15 1.08 1.01 -0.82 -1.96 121.20 118.98 2d90 s ILE 33 Ca 0.65 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 2d90 s ILE 33 Cb -0.08 -1.49 -0.07 0.00 0.01 0.00 0.00 42.46 40.83 2d90 s ILE 33 CO 0.47 0.49 0.51 -0.63 0.00 0.00 0.00 174.94 175.78 2d90 s ILE 34 N 0.06 4.95 0.03 2.92 1.01 -0.30 -1.50 121.20 128.37 2d90 s ILE 34 Ca -0.07 0.60 -0.29 0.00 0.00 0.00 0.00 60.65 60.90 2d90 s ILE 34 Cb -0.14 -3.68 0.10 0.00 0.01 0.00 0.00 42.46 38.76 2d90 s ILE 34 CO 0.04 0.16 1.20 -1.59 0.00 0.00 0.00 174.94 174.74 2d90 s LYS 35 N -2.22 0.63 -1.31 2.79 -2.85 -1.15 0.56 119.74 116.19 2d90 s LYS 35 Ca 0.40 -0.35 -0.08 0.00 -1.00 0.00 0.00 55.97 54.94 2d90 s LYS 35 Cb -0.14 0.21 0.01 0.00 -2.06 0.00 0.00 37.83 35.85 2d90 s LYS 35 CO 0.20 -0.29 1.14 -0.25 0.10 0.00 0.00 175.35 176.25 2d90 n ASP 36 N -0.53 -5.89 -4.77 0.03 9.92 -1.26 -2.81 116.55 111.24 2d90 n ASP 36 Ca -0.07 -0.53 -0.41 0.00 -0.53 0.00 0.00 54.79 53.24 2d90 n ASP 36 Cb 0.62 -4.93 -0.02 0.00 -0.64 0.00 0.00 41.12 36.16 2d90 n ASP 36 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2d90 s ILE 37 N -3.32 2.51 0.13 0.53 1.01 -1.26 -4.60 121.20 116.20 2d90 s ILE 37 Ca 0.52 0.50 -0.14 0.00 0.00 0.00 0.00 60.65 61.53 2d90 s ILE 37 Cb -0.23 -3.32 -0.07 0.00 0.01 0.00 0.00 42.46 38.86 2d90 s ILE 37 CO 0.71 0.11 0.52 -1.61 0.00 0.00 0.00 174.94 174.67 2d90 s GLU 38 N -1.68 3.94 0.48 2.79 0.41 -0.34 -5.02 118.70 119.28 2d90 s GLU 38 Ca 0.52 0.44 -0.22 0.00 -0.41 0.00 0.00 54.97 55.29 2d90 s GLU 38 Cb -0.42 -2.96 -0.07 0.00 -1.78 0.00 0.00 34.13 28.90 2d90 s GLU 38 CO 0.55 0.50 1.16 -1.25 -0.49 0.00 0.00 175.26 175.73 2d90 s PRO 39 N -1.90 3.66 -0.75 0.39 0.04 -1.26 -3.11 135.00 132.07 2d90 s PRO 39 Ca 0.36 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2d90 s PRO 39 Cb -0.15 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2d90 s PRO 39 CO 0.19 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.01 2d90 n GLY 40 N 0.38 -0.16 3.95 0.56 0.00 -1.26 -4.92 105.19 103.74 2d90 n GLY 40 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2d90 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d90 s SER 41 N -1.93 6.34 0.60 1.61 1.04 -1.18 -4.92 113.70 115.26 2d90 s SER 41 Ca 0.00 0.16 0.28 0.00 0.48 0.00 0.00 55.95 56.87 2d90 s SER 41 Cb 0.00 -1.90 1.28 0.00 0.10 0.00 0.00 66.02 65.50 2d90 s SER 41 CO 0.00 0.04 1.68 -0.65 0.98 0.00 0.00 173.24 175.29 2d90 h PRO 42 N 2.01 0.00 0.00 4.02 0.11 -1.80 0.12 132.00 136.46 2d90 h PRO 42 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2d90 h PRO 42 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2d90 h PRO 42 CO 0.68 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.47 2d90 h ALA 43 N 1.12 -0.00 -0.14 -0.75 0.00 -1.72 -0.86 119.26 116.91 2d90 h ALA 43 Ca 0.30 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2d90 h ALA 43 Cb 1.77 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2d90 h ALA 43 CO -0.00 -0.07 -0.32 1.49 0.00 0.00 0.00 179.25 180.35 2d90 h GLU 44 N -0.86 0.26 0.00 0.00 4.81 -1.15 -2.61 114.58 115.03 2d90 h GLU 44 Ca -0.00 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 2d90 h GLU 44 Cb 0.85 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2d90 h GLU 44 CO 0.00 0.56 -0.50 0.00 -0.73 0.00 0.00 179.01 178.34 2d90 h ALA 45 N 1.44 0.75 0.00 2.92 0.00 -0.97 -3.26 119.26 120.14 2d90 h ALA 45 Ca 0.03 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2d90 h ALA 45 Cb 0.68 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2d90 h ALA 45 CO 0.05 0.44 -0.45 0.00 0.00 0.00 0.00 179.25 179.30 2d90 h ALA 46 N 1.66 1.17 0.00 0.00 0.00 -0.79 -3.47 119.26 117.83 2d90 h ALA 46 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2d90 h ALA 46 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2d90 h ALA 46 CO 0.04 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.26 2d90 n GLY 47 N -0.11 1.25 1.96 0.00 0.00 -1.15 -4.71 105.19 102.43 2d90 n GLY 47 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 2d90 n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d90 n LEU 48 N 0.00 0.00 -3.64 0.99 4.77 -1.03 -5.06 117.00 113.03 2d90 n LEU 48 Ca 0.00 -0.49 -0.09 0.00 -0.03 0.00 0.00 56.01 55.39 2d90 n LEU 48 Cb 0.00 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 40.43 2d90 n LEU 48 CO 0.00 -2.28 0.44 -0.54 -1.33 0.00 0.00 177.39 173.68 2d90 s LYS 49 N -4.00 0.71 0.49 3.23 1.02 -1.26 -4.93 119.74 115.00 2d90 s LYS 49 Ca 0.38 1.03 -0.22 0.00 0.02 0.00 0.00 55.97 57.18 2d90 s LYS 49 Cb -0.07 0.25 -0.09 0.00 -0.52 0.00 0.00 37.83 37.41 2d90 s LYS 49 CO 0.32 -0.12 0.96 0.09 -0.92 0.00 0.00 175.35 175.68 2d90 n ASN 50 N 3.44 0.93 -3.18 2.83 4.13 -1.26 -2.40 115.26 119.75 2d90 n ASN 50 Ca -0.17 0.94 -0.21 0.00 1.68 0.00 0.00 54.58 56.82 2d90 n ASN 50 Cb 0.57 -1.35 0.07 0.00 -1.54 0.00 0.00 39.78 37.53 2d90 n ASN 50 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2d90 n ASN 51 N 0.12 -5.88 -4.68 6.41 3.02 0.19 -4.97 115.26 109.48 2d90 n ASN 51 Ca 0.11 -0.45 -0.39 0.00 -0.03 0.00 0.00 54.58 53.82 2d90 n ASN 51 Cb 0.42 -4.52 -0.07 0.00 -0.61 0.00 0.00 39.78 35.01 2d90 n ASN 51 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2d90 s ASP 52 N -3.22 6.58 -0.41 6.41 1.01 -1.01 -4.77 116.67 121.27 2d90 s ASP 52 Ca 0.49 0.70 -0.20 0.00 0.71 0.00 0.00 52.55 54.25 2d90 s ASP 52 Cb -0.22 -2.29 0.02 0.00 1.01 0.00 0.00 42.92 41.44 2d90 s ASP 52 CO 0.61 -0.12 0.60 -0.22 0.21 0.00 0.00 175.17 176.24 2d90 s LEU 53 N 1.34 4.47 -0.16 1.23 2.96 -1.26 -1.15 118.68 126.12 2d90 s LEU 53 Ca 0.24 -0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.76 2d90 s LEU 53 Cb -0.15 -2.68 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 2d90 s LEU 53 CO 0.10 -0.67 0.39 -0.69 -1.32 0.00 0.00 176.35 174.15 2d90 s VAL 54 N 2.65 5.24 -0.05 1.68 1.01 -0.83 -0.93 120.40 129.18 2d90 s VAL 54 Ca 0.21 0.73 0.10 0.00 0.00 0.00 0.00 61.98 63.03 2d90 s VAL 54 Cb -0.15 -3.72 -0.15 0.00 0.00 0.00 0.00 36.38 32.36 2d90 s VAL 54 CO 0.17 0.33 0.16 1.33 0.00 0.00 0.00 175.10 177.09 2d90 n VAL 55 N 3.81 0.25 -3.96 2.92 0.24 -0.37 -2.44 118.33 118.78 2d90 n VAL 55 Ca -0.09 -0.31 -0.11 0.00 -2.04 0.00 0.00 64.34 61.78 2d90 n VAL 55 Cb 0.52 -0.10 -0.13 0.00 -1.47 0.00 0.00 33.84 32.66 2d90 n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2d90 s ALA 56 N -2.57 0.15 -0.11 2.33 0.00 -1.21 -2.04 121.76 118.31 2d90 s ALA 56 Ca -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 2d90 s ALA 56 Cb 0.06 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.26 2d90 s ALA 56 CO 0.44 -0.05 -0.03 0.08 0.00 0.00 0.00 175.76 176.20 2d90 s VAL 57 N -0.71 0.67 -1.51 0.00 1.01 0.27 -0.53 120.40 119.61 2d90 s VAL 57 Ca -0.07 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 2d90 s VAL 57 Cb -0.05 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.52 2d90 s VAL 57 CO -0.00 0.23 0.63 0.59 0.00 0.00 0.00 175.10 176.55 2d90 n ASN 58 N 5.04 -5.75 -0.96 3.32 3.02 -0.72 -1.61 115.26 117.60 2d90 n ASN 58 Ca -0.09 -0.32 -0.07 0.00 -0.03 0.00 0.00 54.58 54.06 2d90 n ASN 58 Cb 0.49 -4.65 0.00 0.00 -0.61 0.00 0.00 39.78 35.02 2d90 n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d90 n GLY 59 N -1.50 0.19 2.86 7.41 0.00 -1.26 -5.03 105.19 107.85 2d90 n GLY 59 Ca -0.09 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 2d90 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d90 s LYS 60 N -4.62 0.43 -0.40 1.61 -0.14 -0.63 -5.10 119.74 110.89 2d90 s LYS 60 Ca 0.05 -0.01 -0.27 0.00 -1.36 0.00 0.00 55.97 54.38 2d90 s LYS 60 Cb -0.02 -0.54 -0.03 0.00 -1.68 0.00 0.00 37.83 35.56 2d90 s LYS 60 CO 0.06 -0.08 2.00 -1.12 -0.76 0.00 0.00 175.35 175.45 2d90 s SER 61 N 0.79 5.40 -0.02 2.83 0.01 -1.26 -0.56 113.70 120.89 2d90 s SER 61 Ca -0.09 1.15 0.17 0.00 1.31 0.00 0.00 55.95 58.50 2d90 s SER 61 Cb -0.12 -2.52 -0.25 0.00 0.21 0.00 0.00 66.02 63.34 2d90 s SER 61 CO -0.01 -2.12 0.39 1.33 0.41 0.00 0.00 173.24 173.24 2d90 n VAL 62 N 7.54 0.00 0.27 3.43 0.24 -1.03 -4.38 118.33 124.40 2d90 n VAL 62 Ca 0.26 -0.36 0.18 0.00 -2.04 0.00 0.00 64.34 62.38 2d90 n VAL 62 Cb 0.49 0.18 0.88 0.00 -1.47 0.00 0.00 33.84 33.92 2d90 n VAL 62 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2d90 h GLU 63 N 0.00 0.00 0.00 7.34 4.11 -1.65 0.54 114.58 124.92 2d90 h GLU 63 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2d90 h GLU 63 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2d90 h GLU 63 CO 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 179.01 178.61 2d90 h ALA 64 N 1.56 0.75 -1.65 1.06 0.00 -1.86 -3.25 119.26 115.87 2d90 h ALA 64 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.50 2d90 h ALA 64 Cb 0.59 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.52 2d90 h ALA 64 CO -0.00 0.00 0.30 -0.51 0.00 0.00 0.00 179.25 179.04 2d90 s LEU 65 N -5.52 2.82 0.00 0.00 1.43 0.19 -5.10 118.68 112.49 2d90 s LEU 65 Ca 0.04 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2d90 s LEU 65 Cb 0.08 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.32 2d90 s LEU 65 CO 0.72 -2.50 0.27 0.47 0.23 0.00 0.00 176.35 175.53 2d90 n ASP 66 N -3.46 1.82 -0.20 2.29 8.00 -1.26 -4.79 116.55 118.95 2d90 n ASP 66 Ca 0.16 -2.01 -0.10 0.00 0.71 0.00 0.00 54.79 53.56 2d90 n ASP 66 Cb 0.60 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.56 2d90 n ASP 66 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2d90 h HIS 67 N 0.49 -1.37 -0.08 1.24 -0.00 -1.96 0.11 115.15 113.59 2d90 h HIS 67 Ca -0.18 0.08 0.03 0.00 -0.00 0.00 0.00 60.37 60.30 2d90 h HIS 67 Cb 0.70 0.66 -0.04 0.00 -0.00 0.00 0.00 27.41 28.73 2d90 h HIS 67 CO 0.00 -0.34 -0.16 -0.44 -0.00 0.00 0.00 177.93 177.00 2d90 h ASP 68 N -0.17 -0.48 -0.10 3.26 5.19 -1.96 0.70 116.42 122.87 2d90 h ASP 68 Ca 0.08 0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.59 2d90 h ASP 68 Cb 0.39 0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.09 2d90 h ASP 68 CO -0.57 -0.21 -0.26 1.23 -3.12 0.00 0.00 179.24 176.31 2d90 h GLY 69 N -0.22 -1.39 0.52 2.75 0.00 -1.63 1.28 103.07 104.38 2d90 h GLY 69 Ca 0.08 0.71 0.08 0.00 0.00 0.00 0.00 47.33 48.19 2d90 h GLY 69 CO -0.21 -0.42 0.30 -2.08 0.00 0.00 0.00 176.54 174.14 2d90 h VAL 70 N -0.25 0.86 0.00 4.60 2.07 -0.75 0.94 116.25 123.71 2d90 h VAL 70 Ca 0.02 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2d90 h VAL 70 Cb 0.31 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2d90 h VAL 70 CO -0.23 0.10 -0.01 0.58 0.02 0.00 0.00 177.57 178.03 2d90 h VAL 71 N 0.54 0.05 0.01 2.57 2.07 -0.22 -2.92 116.25 118.34 2d90 h VAL 71 Ca 0.31 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 67.30 2d90 h VAL 71 Cb 0.30 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2d90 h VAL 71 CO -0.25 0.01 -0.50 -0.08 0.02 0.00 0.00 177.57 176.78 2d90 h GLU 72 N 0.00 0.33 -0.29 1.57 4.81 0.41 -3.26 114.58 118.15 2d90 h GLU 72 Ca -0.00 -0.36 0.07 0.00 -0.13 0.00 0.00 59.36 58.94 2d90 h GLU 72 Cb 0.38 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.80 2d90 h GLU 72 CO 0.00 1.05 -0.15 0.52 -0.73 0.00 0.00 179.01 179.70 2d90 h MET 73 N -0.25 -0.11 -0.98 1.92 2.86 -1.18 -0.51 114.93 116.68 2d90 h MET 73 Ca -0.06 0.01 0.20 0.00 -2.06 0.00 0.00 59.70 57.79 2d90 h MET 73 Cb 1.23 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.82 2d90 h MET 73 CO 0.10 -0.07 0.62 0.82 1.06 0.00 0.00 176.91 179.43 2d90 h ILE 74 N -0.11 0.68 -0.06 -1.22 2.04 -1.65 0.30 117.51 117.48 2d90 h ILE 74 Ca 0.15 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 2d90 h ILE 74 Cb 0.35 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2d90 h ILE 74 CO -0.36 0.11 -0.45 0.03 0.00 0.00 0.00 178.15 177.48 2d90 h ARG 75 N 0.62 0.15 -0.30 2.37 3.08 -1.16 -2.92 114.38 116.21 2d90 h ARG 75 Ca 0.55 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.44 2d90 h ARG 75 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 2d90 h ARG 75 CO -0.32 0.58 -0.20 0.87 -1.07 0.00 0.00 179.97 179.83 2d90 h LYS 76 N 0.12 0.56 0.00 0.04 1.79 0.40 -2.64 116.57 116.84 2d90 h LYS 76 Ca 0.01 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2d90 h LYS 76 Cb 0.85 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 2d90 h LYS 76 CO 0.07 0.73 0.34 0.78 -1.08 0.00 0.00 179.45 180.28 2d90 h GLY 77 N 0.99 0.00 0.00 3.86 0.00 -1.22 -3.46 103.07 103.24 2d90 h GLY 77 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2d90 h GLY 77 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 2d90 n GLY 78 N -1.24 1.85 0.15 4.60 0.00 -1.00 -3.84 105.19 105.71 2d90 n GLY 78 Ca -0.02 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 2d90 n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d90 n ASP 79 N 5.39 1.95 -4.72 1.61 8.00 -1.26 -4.96 116.55 122.56 2d90 n ASP 79 Ca 0.00 0.31 -0.24 0.00 0.71 0.00 0.00 54.79 55.57 2d90 n ASP 79 Cb 0.00 -0.79 -0.06 0.00 -0.02 0.00 0.00 41.12 40.25 2d90 n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d90 s GLN 80 N -2.51 2.57 -0.06 -1.24 -2.07 -1.25 -1.01 119.66 114.10 2d90 s GLN 80 Ca -0.38 -1.17 -0.25 0.00 -1.82 0.00 0.00 55.36 51.73 2d90 s GLN 80 Cb 0.14 -2.38 0.05 0.00 -1.09 0.00 0.00 33.01 29.74 2d90 s GLN 80 CO 0.49 0.41 0.56 -0.08 -1.32 0.00 0.00 175.29 175.36 2d90 s THR 81 N -2.04 0.02 -0.14 3.63 -1.32 -0.24 -4.50 115.64 111.05 2d90 s THR 81 Ca 0.31 -0.14 -0.06 0.00 -1.21 0.00 0.00 61.69 60.58 2d90 s THR 81 Cb -0.08 -0.87 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 2d90 s THR 81 CO 0.21 -0.08 0.09 -0.89 -2.21 0.00 0.00 174.62 171.75 2d90 s THR 82 N -1.09 5.07 -0.12 5.08 2.01 -1.26 -1.30 115.64 124.03 2d90 s THR 82 Ca -0.11 0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.97 2d90 s THR 82 Cb -0.02 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.27 2d90 s THR 82 CO 0.07 0.56 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.61 2d90 s LEU 83 N -0.48 1.91 -0.40 4.42 1.43 0.12 -1.76 118.68 123.92 2d90 s LEU 83 Ca 0.11 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 2d90 s LEU 83 Cb -0.12 -1.27 0.06 0.00 0.03 0.00 0.00 46.19 44.90 2d90 s LEU 83 CO 0.02 0.05 0.24 -0.22 0.23 0.00 0.00 176.35 176.67 2d90 s LEU 84 N 0.90 5.01 0.17 1.79 0.20 0.31 0.84 118.68 127.90 2d90 s LEU 84 Ca -0.07 -1.33 0.06 0.00 0.69 0.00 0.00 54.13 53.48 2d90 s LEU 84 Cb -0.15 -2.00 -0.04 0.00 -0.43 0.00 0.00 46.19 43.57 2d90 s LEU 84 CO -0.02 -0.49 0.05 0.68 -0.29 0.00 0.00 176.35 176.28 2d90 s VAL 85 N 1.47 4.01 -0.06 1.68 -7.23 -1.00 -1.23 120.40 118.05 2d90 s VAL 85 Ca 0.02 -1.27 -0.17 0.00 -1.81 0.00 0.00 61.98 58.75 2d90 s VAL 85 Cb -0.22 -3.02 -0.05 0.00 0.56 0.00 0.00 36.38 33.65 2d90 s VAL 85 CO 0.04 -0.09 0.46 -0.22 -0.31 0.00 0.00 175.10 174.97 2d90 s LEU 86 N -2.96 4.38 -0.15 1.32 1.98 -0.11 -0.43 118.68 122.71 2d90 s LEU 86 Ca 0.29 0.91 -0.11 0.00 -2.89 0.00 0.00 54.13 52.32 2d90 s LEU 86 Cb -0.10 -2.67 -0.05 0.00 0.66 0.00 0.00 46.19 44.04 2d90 s LEU 86 CO 0.20 0.15 -0.17 -0.90 -1.89 0.00 0.00 176.35 173.75 2d90 n ASP 87 N 2.78 1.83 -0.25 3.68 5.75 -1.26 -3.40 116.55 125.68 2d90 n ASP 87 Ca -0.10 0.58 0.21 0.00 -0.01 0.00 0.00 54.79 55.46 2d90 n ASP 87 Cb 0.52 -0.86 0.39 0.00 -1.03 0.00 0.00 41.12 40.13 2d90 n ASP 87 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2d90 n LYS 88 N -4.57 -0.05 -2.43 0.11 4.81 -1.26 0.11 118.16 114.87 2d90 n LYS 88 Ca -0.11 1.08 -0.28 0.00 -0.87 0.00 0.00 58.31 58.13 2d90 n LYS 88 Cb 0.35 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.52 2d90 n LYS 88 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2d90 n GLU 89 N -4.83 3.39 -0.08 1.64 -0.58 -1.26 -4.73 120.64 114.20 2d90 n GLU 89 Ca 0.26 -4.44 -0.20 0.00 -0.42 0.00 0.00 57.16 52.36 2d90 n GLU 89 Cb 0.88 -2.25 -0.13 0.00 -0.57 0.00 0.00 31.44 29.37 2d90 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d90 n ALA 90 N -0.49 1.21 -1.74 0.62 0.00 0.29 -4.80 120.51 115.60 2d90 n ALA 90 Ca 0.40 -0.90 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 2d90 n ALA 90 Cb 0.64 -0.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 2d90 n ALA 90 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2d90 s GLU 91 N -2.53 4.14 -0.27 0.00 2.12 -1.26 -4.77 118.70 116.13 2d90 s GLU 91 Ca -0.30 2.57 0.01 0.00 0.36 0.00 0.00 54.97 57.61 2d90 s GLU 91 Cb 0.08 -3.43 0.08 0.00 0.26 0.00 0.00 34.13 31.12 2d90 s GLU 91 CO 0.66 -0.80 0.01 0.45 -0.54 0.00 0.00 175.26 175.04 2d90 s SER 92 N 2.21 4.07 0.21 -1.70 0.15 -1.26 -5.12 113.70 112.27 2d90 s SER 92 Ca 0.78 -1.49 0.11 0.00 0.70 0.00 0.00 55.95 56.05 2d90 s SER 92 Cb -0.47 -1.19 -0.05 0.00 -1.71 0.00 0.00 66.02 62.61 2d90 s SER 92 CO 0.35 -0.31 -0.22 0.27 1.20 0.00 0.00 173.24 174.53 2d90 s ILE 93 N 1.35 2.30 0.03 6.45 -5.25 -1.26 -5.13 121.20 119.69 2d90 s ILE 93 Ca 0.02 -2.12 -0.12 0.00 -0.99 0.00 0.00 60.65 57.44 2d90 s ILE 93 Cb -0.18 -2.13 0.01 0.00 2.95 0.00 0.00 42.46 43.11 2d90 s ILE 93 CO -0.11 -0.23 0.25 -0.31 -1.79 0.00 0.00 174.94 172.74 2d90 s TYR 94 N -1.98 -0.04 -0.04 1.37 2.02 -1.26 -5.17 117.35 112.26 2d90 s TYR 94 Ca 0.23 -0.11 0.05 0.00 -0.37 0.00 0.00 57.07 56.87 2d90 s TYR 94 Cb -0.07 0.03 -0.01 0.00 -0.40 0.00 0.00 41.96 41.52 2d90 s TYR 94 CO 0.11 -0.45 -0.18 -1.54 -1.57 0.00 0.00 175.55 171.93 2d90 s SER 95 N -1.94 2.18 -0.12 2.29 1.04 -1.26 -5.13 113.70 110.76 2d90 s SER 95 Ca -0.07 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 55.95 2d90 s SER 95 Cb -0.02 -0.51 0.05 0.00 0.10 0.00 0.00 66.02 65.64 2d90 s SER 95 CO -0.02 0.18 0.27 -0.22 0.98 0.00 0.00 173.24 174.42 2d90 s LEU 96 N -0.10 0.30 -0.30 2.42 0.20 -1.26 -5.13 118.68 114.82 2d90 s LEU 96 Ca -0.01 0.58 -0.11 0.00 0.69 0.00 0.00 54.13 55.28 2d90 s LEU 96 Cb -0.10 0.82 0.18 0.00 -0.43 0.00 0.00 46.19 46.66 2d90 s LEU 96 CO 0.01 -0.17 0.93 -0.55 -0.29 0.00 0.00 176.35 176.28 2d90 s SER 97 N 1.33 -0.71 0.01 3.68 0.15 -1.26 -5.17 113.70 111.73 2d90 s SER 97 Ca -0.09 0.59 -0.02 0.00 0.70 0.00 0.00 55.95 57.13 2d90 s SER 97 Cb -0.10 1.65 -0.01 0.00 -1.71 0.00 0.00 66.02 65.85 2d90 s SER 97 CO -0.09 -0.13 0.02 -0.83 1.20 0.00 0.00 173.24 173.41 2d90 s GLY 98 N 2.79 0.14 0.86 9.45 0.00 -1.26 -5.17 107.32 114.14 2d90 s GLY 98 Ca 0.03 -0.35 -0.14 0.00 0.00 0.00 0.00 44.72 44.26 2d90 s GLY 98 CO -0.15 -0.42 0.77 -1.55 0.00 0.00 0.00 173.10 171.74 2d90 n PRO 99 N 1.84 -2.52 -3.53 2.90 -0.04 -1.26 -5.10 135.00 127.29 2d90 n PRO 99 Ca -0.21 -1.22 -0.15 0.00 -0.04 0.00 0.00 63.50 61.87 2d90 n PRO 99 Cb 0.56 -1.15 -0.05 0.00 -0.04 0.00 0.00 33.50 32.82 2d90 n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d90 s SER 100 N -3.57 -0.54 -0.29 3.54 0.15 -1.26 -5.17 113.70 106.57 2d90 s SER 100 Ca 0.50 0.36 -0.15 0.00 0.70 0.00 0.00 55.95 57.35 2d90 s SER 100 Cb -0.05 0.52 0.11 0.00 -1.71 0.00 0.00 66.02 64.90 2d90 s SER 100 CO 0.38 -0.71 0.78 -0.44 1.20 0.00 0.00 173.24 174.46 2d90 s SER 101 N -1.78 -0.83 0.00 5.45 0.01 -1.26 -5.38 113.70 109.91 2d90 s SER 101 Ca -0.07 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.47 2d90 s SER 101 Cb -0.01 1.50 0.00 0.00 0.21 0.00 0.00 66.02 67.72 2d90 s SER 101 CO 0.01 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.07