#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d90 n SER 2 N 0.00 1.35 0.47 1.61 7.64 -1.26 -4.85 113.62 118.58 2d90 n SER 2 Ca 0.00 0.99 -0.18 0.00 1.01 0.00 0.00 58.87 60.68 2d90 n SER 2 Cb 0.00 -0.95 -0.09 0.00 -1.01 0.00 0.00 64.21 62.16 2d90 n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2d90 h SER 3 N 6.91 -1.01 0.00 6.43 0.87 -2.07 -3.47 113.55 121.21 2d90 h SER 3 Ca -0.34 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2d90 h SER 3 Cb 1.37 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 2d90 h SER 3 CO 1.01 -0.70 0.00 0.61 -0.53 0.00 0.00 176.83 177.22 2d90 n GLY 4 N -1.47 -0.36 0.12 5.77 0.00 -1.26 -4.76 105.19 103.23 2d90 n GLY 4 Ca -0.15 0.75 -0.21 0.00 0.00 0.00 0.00 46.02 46.42 2d90 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2d90 h SER 5 N 0.00 0.38 -2.67 1.61 4.64 -2.02 -3.42 113.55 112.08 2d90 h SER 5 Ca 0.00 -0.88 -0.60 0.00 -0.47 0.00 0.00 61.79 59.83 2d90 h SER 5 Cb 0.00 -0.12 -0.41 0.00 -0.31 0.00 0.00 62.40 61.56 2d90 h SER 5 CO 0.00 1.49 -0.71 -1.54 -0.87 0.00 0.00 176.83 175.20 2d90 n SER 6 N -4.06 2.14 0.00 4.97 3.41 -1.26 -5.00 113.62 113.82 2d90 n SER 6 Ca -0.20 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.38 2d90 n SER 6 Cb 0.84 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2d90 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d90 n GLY 7 N 1.90 2.19 3.93 5.00 0.00 -1.26 -4.96 105.19 111.99 2d90 n GLY 7 Ca 0.24 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.46 2.00 -0.10 1.61 1.70 -0.44 -4.75 118.95 115.52 2d90 s ARG 8 Ca 0.00 -0.26 -0.01 0.00 -0.47 0.00 0.00 55.73 55.00 2d90 s ARG 8 Cb 0.00 -2.12 -0.03 0.00 -0.57 0.00 0.00 34.95 32.24 2d90 s ARG 8 CO 0.00 -1.41 -0.06 0.08 -1.08 0.00 0.00 175.30 172.83 2d90 s VAL 9 N -3.35 3.78 0.07 4.99 1.01 -1.26 -2.92 120.40 122.72 2d90 s VAL 9 Ca 0.62 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.24 2d90 s VAL 9 Cb -0.10 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 2d90 s VAL 9 CO 0.46 0.57 -0.19 -0.69 0.00 0.00 0.00 175.10 175.25 2d90 s VAL 10 N -0.44 1.55 -0.07 2.92 1.01 -0.23 -4.96 120.40 120.18 2d90 s VAL 10 Ca 0.07 -1.31 -0.00 0.00 0.00 0.00 0.00 61.98 60.74 2d90 s VAL 10 Cb -0.12 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.89 2d90 s VAL 10 CO 0.02 0.04 -0.04 -0.69 0.00 0.00 0.00 175.10 174.43 2d90 s VAL 11 N -0.98 0.66 0.03 2.92 1.01 -1.26 -0.07 120.40 122.71 2d90 s VAL 11 Ca 0.05 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.95 2d90 s VAL 11 Cb -0.09 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 2d90 s VAL 11 CO 0.03 0.29 -0.08 -0.63 0.00 0.00 0.00 175.10 174.70 2d90 s ILE 12 N 1.45 0.62 -0.16 2.22 1.01 -1.20 -4.45 121.20 120.69 2d90 s ILE 12 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2d90 s ILE 12 Cb -0.13 -0.61 0.03 0.00 0.01 0.00 0.00 42.46 41.76 2d90 s ILE 12 CO -0.03 -0.15 -0.11 -0.54 0.00 0.00 0.00 174.94 174.11 2d90 s LYS 13 N -1.04 1.97 0.11 2.79 1.02 -1.26 -1.93 119.74 121.40 2d90 s LYS 13 Ca -0.04 -0.57 -0.36 0.00 0.02 0.00 0.00 55.97 55.03 2d90 s LYS 13 Cb -0.07 -2.08 -0.16 0.00 -0.52 0.00 0.00 37.83 35.00 2d90 s LYS 13 CO 0.00 -0.32 1.29 1.17 -0.92 0.00 0.00 175.35 176.57 2d90 n LYS 14 N 4.80 1.15 0.00 1.68 4.81 0.65 -4.77 118.16 126.48 2d90 n LYS 14 Ca -0.15 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 2d90 n LYS 14 Cb 0.49 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.53 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 2.37 0.47 0.06 3.14 0.00 -0.35 -4.94 105.19 105.94 2d90 n GLY 15 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 2d90 n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d90 n SER 16 N 0.00 2.92 -1.24 1.61 2.88 -1.26 -4.58 113.62 113.95 2d90 n SER 16 Ca 0.00 -0.05 0.09 0.00 -1.33 0.00 0.00 58.87 57.59 2d90 n SER 16 Cb 0.00 0.08 0.29 0.00 -0.75 0.00 0.00 64.21 63.84 2d90 n SER 16 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2d90 n ASN 17 N -2.71 4.00 0.00 -3.46 2.85 -1.26 -5.07 115.26 109.61 2d90 n ASN 17 Ca -0.20 -2.21 0.00 0.00 -0.11 0.00 0.00 54.58 52.06 2d90 n ASN 17 Cb 0.76 -0.47 0.00 0.00 1.24 0.00 0.00 39.78 41.31 2d90 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2d90 n GLY 18 N 1.09 0.09 0.10 8.20 0.00 -1.26 -4.70 105.19 108.70 2d90 n GLY 18 Ca 0.22 -1.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.10 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 0.10 0.00 1.61 -1.99 -1.93 -0.91 116.97 113.85 2d90 h TYR 19 Ca 0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.65 2d90 h TYR 19 Cb 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2d90 h TYR 19 CO 0.00 1.35 0.00 0.41 -0.00 0.00 0.00 178.16 179.92 2d90 n GLY 20 N 1.56 1.65 3.77 3.88 0.00 -1.26 -1.43 105.19 113.35 2d90 n GLY 20 Ca -0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.52 3.08 0.47 1.61 -0.71 -1.26 -0.71 117.98 118.93 2d90 s PHE 21 Ca 0.00 -0.05 0.04 0.00 -1.04 0.00 0.00 56.93 55.88 2d90 s PHE 21 Cb 0.00 -1.48 -0.04 0.00 -1.21 0.00 0.00 43.02 40.29 2d90 s PHE 21 CO 0.00 0.52 0.02 0.71 -1.34 0.00 0.00 175.22 175.13 2d90 s TYR 22 N -1.75 2.16 0.01 3.49 1.51 -1.19 -5.00 117.35 116.58 2d90 s TYR 22 Ca 0.30 -0.82 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 2d90 s TYR 22 Cb -0.10 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 40.04 2d90 s TYR 22 CO 0.22 0.31 -0.03 -0.51 -1.11 0.00 0.00 175.55 174.43 2d90 s LEU 23 N -3.82 2.09 0.01 -1.29 1.43 -1.26 -3.69 118.68 112.15 2d90 s LEU 23 Ca 0.20 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.03 2d90 s LEU 23 Cb 0.05 -0.07 -0.00 0.00 0.03 0.00 0.00 46.19 46.20 2d90 s LEU 23 CO 0.10 -0.07 0.13 0.00 0.23 0.00 0.00 176.35 176.74 2d90 s ARG 24 N -0.54 0.51 -0.50 1.70 1.70 -0.38 -4.91 118.95 116.53 2d90 s ARG 24 Ca -0.04 -0.48 -0.28 0.00 -0.47 0.00 0.00 55.73 54.47 2d90 s ARG 24 Cb -0.04 0.21 -0.01 0.00 -0.57 0.00 0.00 34.95 34.54 2d90 s ARG 24 CO -0.00 -0.12 1.67 0.00 -1.08 0.00 0.00 175.30 175.77 2d90 s ALA 25 N -1.66 2.63 1.00 7.88 0.00 -1.26 -0.86 121.76 129.49 2d90 s ALA 25 Ca -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2d90 s ALA 25 Cb -0.06 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.93 2d90 s ALA 25 CO 0.00 -3.13 0.00 0.41 0.00 0.00 0.00 175.76 173.05 2d90 n GLY 26 N 5.44 -1.43 0.09 0.00 0.00 -1.25 -4.95 105.19 103.09 2d90 n GLY 26 Ca 0.18 -1.59 -0.01 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.82 -1.08 -0.23 1.61 -0.04 -1.26 -4.79 135.00 128.38 2d90 n PRO 27 Ca 0.00 -0.05 0.20 0.00 -0.04 0.00 0.00 63.50 63.62 2d90 n PRO 27 Cb 0.00 -0.04 0.38 0.00 -0.04 0.00 0.00 33.50 33.79 2d90 n PRO 27 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2d90 n GLU 28 N -1.60 -0.05 -1.34 0.54 0.28 -1.26 -4.50 120.64 112.71 2d90 n GLU 28 Ca 0.00 1.00 -0.43 0.00 -0.16 0.00 0.00 57.16 57.58 2d90 n GLU 28 Cb 0.02 -1.76 -0.01 0.00 1.43 0.00 0.00 31.44 31.12 2d90 n GLU 28 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2d90 n GLN 29 N -4.69 0.07 -3.10 3.44 3.00 -1.26 -4.88 117.38 109.96 2d90 n GLN 29 Ca 0.25 0.03 -0.40 0.00 -0.01 0.00 0.00 57.00 56.87 2d90 n GLN 29 Cb 0.84 -1.06 -0.06 0.00 0.00 0.00 0.00 30.24 29.97 2d90 n GLN 29 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2d90 s LYS 30 N -1.07 4.26 0.00 -1.09 -0.14 -1.26 -4.81 119.74 115.62 2d90 s LYS 30 Ca 0.61 0.68 0.00 0.00 -1.36 0.00 0.00 55.97 55.89 2d90 s LYS 30 Cb -0.69 -3.55 0.00 0.00 -1.68 0.00 0.00 37.83 31.91 2d90 s LYS 30 CO 0.61 -0.18 0.00 0.41 -0.76 0.00 0.00 175.35 175.43 2d90 n GLY 31 N 3.64 1.86 3.58 -3.33 0.00 -1.26 -4.58 105.19 105.10 2d90 n GLY 31 Ca -0.01 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.50 2.63 0.01 1.61 -1.52 -0.65 -3.97 119.66 116.27 2d90 s GLN 32 Ca 0.00 -0.65 -0.17 0.00 -1.95 0.00 0.00 55.36 52.59 2d90 s GLN 32 Cb 0.00 -2.53 -0.06 0.00 -0.22 0.00 0.00 33.01 30.20 2d90 s GLN 32 CO 0.00 0.63 0.47 0.42 -0.25 0.00 0.00 175.29 176.56 2d90 s ILE 33 N -0.91 4.96 0.19 1.08 1.01 -0.04 -0.14 121.20 127.35 2d90 s ILE 33 Ca 0.15 0.97 -0.07 0.00 0.00 0.00 0.00 60.65 61.70 2d90 s ILE 33 Cb -0.11 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 2d90 s ILE 33 CO 0.05 0.54 0.47 -0.63 0.00 0.00 0.00 174.94 175.37 2d90 s ILE 34 N -0.88 5.05 -0.01 2.92 1.01 0.25 -1.25 121.20 128.28 2d90 s ILE 34 Ca 0.26 0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 2d90 s ILE 34 Cb -0.17 -3.63 0.12 0.00 0.01 0.00 0.00 42.46 38.79 2d90 s ILE 34 CO 0.15 -0.04 1.27 -1.59 0.00 0.00 0.00 174.94 174.73 2d90 s LYS 35 N -2.79 0.43 -1.31 2.79 -2.85 -1.24 -0.42 119.74 114.33 2d90 s LYS 35 Ca 0.44 -0.23 -0.07 0.00 -1.00 0.00 0.00 55.97 55.10 2d90 s LYS 35 Cb -0.12 0.15 0.01 0.00 -2.06 0.00 0.00 37.83 35.81 2d90 s LYS 35 CO 0.23 -0.19 1.14 -0.25 0.10 0.00 0.00 175.35 176.38 2d90 n ASP 36 N -0.48 -5.62 -4.76 0.03 8.00 -1.26 -3.18 116.55 109.27 2d90 n ASP 36 Ca -0.08 -0.55 -0.39 0.00 0.71 0.00 0.00 54.79 54.48 2d90 n ASP 36 Cb 0.63 -4.99 0.01 0.00 -0.02 0.00 0.00 41.12 36.75 2d90 n ASP 36 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2d90 s ILE 37 N -3.32 2.53 0.11 0.53 1.01 -1.26 -4.68 121.20 116.12 2d90 s ILE 37 Ca 0.48 0.44 -0.16 0.00 0.00 0.00 0.00 60.65 61.42 2d90 s ILE 37 Cb -0.21 -3.24 -0.07 0.00 0.01 0.00 0.00 42.46 38.95 2d90 s ILE 37 CO 0.72 0.04 0.54 -1.61 0.00 0.00 0.00 174.94 174.62 2d90 s GLU 38 N -2.51 4.03 0.52 2.79 0.41 0.11 -5.01 118.70 119.04 2d90 s GLU 38 Ca 0.62 0.55 -0.20 0.00 -0.41 0.00 0.00 54.97 55.52 2d90 s GLU 38 Cb -0.37 -3.05 -0.06 0.00 -1.78 0.00 0.00 34.13 28.87 2d90 s GLU 38 CO 0.47 0.55 1.14 -1.25 -0.49 0.00 0.00 175.26 175.67 2d90 s PRO 39 N -1.63 3.47 -0.53 0.39 0.04 -1.26 -3.15 135.00 132.33 2d90 s PRO 39 Ca 0.34 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2d90 s PRO 39 Cb -0.16 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2d90 s PRO 39 CO 0.19 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2d90 n GLY 40 N 0.24 -0.29 3.93 0.56 0.00 -1.26 -4.91 105.19 103.46 2d90 n GLY 40 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.92 6.18 0.44 1.61 1.04 -1.19 -4.95 113.70 114.92 2d90 s SER 41 Ca 0.00 0.07 0.24 0.00 0.48 0.00 0.00 55.95 56.75 2d90 s SER 41 Cb 0.00 -1.80 1.25 0.00 0.10 0.00 0.00 66.02 65.57 2d90 s SER 41 CO 0.00 0.01 1.76 -0.65 0.98 0.00 0.00 173.24 175.34 2d90 h PRO 42 N 1.82 0.25 0.24 4.02 0.11 -1.85 -0.11 132.00 136.48 2d90 h PRO 42 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2d90 h PRO 42 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2d90 h PRO 42 CO 0.65 0.17 -0.11 0.00 -0.21 0.00 0.00 178.00 178.49 2d90 h ALA 43 N 1.57 -0.32 -0.71 -0.75 0.00 -1.57 0.27 119.26 117.73 2d90 h ALA 43 Ca 0.61 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 2d90 h ALA 43 Cb 1.82 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 2d90 h ALA 43 CO -0.24 -0.57 0.31 1.49 0.00 0.00 0.00 179.25 180.25 2d90 h GLU 44 N -0.55 1.05 -0.05 0.00 4.57 -1.37 -2.38 114.58 115.85 2d90 h GLU 44 Ca -0.03 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 57.91 2d90 h GLU 44 Cb 0.40 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2d90 h GLU 44 CO 0.05 0.85 -0.28 0.00 -1.18 0.00 0.00 179.01 178.45 2d90 h ALA 45 N 1.15 1.43 -0.21 2.92 0.00 -1.05 -2.58 119.26 120.92 2d90 h ALA 45 Ca 0.24 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2d90 h ALA 45 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2d90 h ALA 45 CO -0.03 0.42 0.01 0.00 0.00 0.00 0.00 179.25 179.65 2d90 h ALA 46 N 1.63 1.62 0.00 0.00 0.00 -0.40 -3.46 119.26 118.65 2d90 h ALA 46 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2d90 h ALA 46 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2d90 h ALA 46 CO 0.04 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2d90 n GLY 47 N -1.14 1.69 1.77 0.00 0.00 -0.97 -4.61 105.19 101.92 2d90 n GLY 47 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.18 -5.08 117.00 112.87 2d90 n LEU 48 Ca 0.00 -0.57 -0.06 0.00 -0.03 0.00 0.00 56.01 55.35 2d90 n LEU 48 Cb 0.00 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 2d90 n LEU 48 CO 0.00 -1.68 0.49 -0.54 -1.33 0.00 0.00 177.39 174.33 2d90 s LYS 49 N -4.24 0.58 0.46 3.23 1.02 -1.26 -4.96 119.74 114.57 2d90 s LYS 49 Ca 0.36 0.99 -0.22 0.00 0.02 0.00 0.00 55.97 57.12 2d90 s LYS 49 Cb -0.04 0.13 -0.11 0.00 -0.52 0.00 0.00 37.83 37.29 2d90 s LYS 49 CO 0.28 -0.12 0.61 0.09 -0.92 0.00 0.00 175.35 175.29 2d90 n ASN 50 N 3.97 -0.60 -0.67 2.83 4.13 -1.26 -2.08 115.26 121.57 2d90 n ASN 50 Ca -0.19 0.89 -0.07 0.00 1.68 0.00 0.00 54.58 56.89 2d90 n ASN 50 Cb 0.58 -1.16 -0.02 0.00 -1.54 0.00 0.00 39.78 37.64 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 0.98 -3.25 -4.64 6.41 4.13 0.44 -4.99 115.26 114.33 2d90 n ASN 51 Ca 0.11 0.08 -0.41 0.00 1.68 0.00 0.00 54.58 56.05 2d90 n ASN 51 Cb 0.41 -1.98 -0.06 0.00 -1.54 0.00 0.00 39.78 36.61 2d90 n ASN 51 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2d90 s ASP 52 N -2.80 6.70 -0.24 6.41 1.01 -0.88 -4.23 116.67 122.64 2d90 s ASP 52 Ca 0.00 0.86 -0.15 0.00 0.71 0.00 0.00 52.55 53.97 2d90 s ASP 52 Cb 0.00 -2.37 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 2d90 s ASP 52 CO 0.00 -0.37 0.36 -0.22 0.21 0.00 0.00 175.17 175.15 2d90 s LEU 53 N 2.36 4.10 -0.22 1.23 0.20 -1.26 0.85 118.68 125.94 2d90 s LEU 53 Ca 0.30 0.36 -0.09 0.00 0.69 0.00 0.00 54.13 55.39 2d90 s LEU 53 Cb -0.16 -2.43 -0.05 0.00 -0.43 0.00 0.00 46.19 43.13 2d90 s LEU 53 CO 0.09 -0.11 0.12 -0.69 -0.29 0.00 0.00 176.35 175.47 2d90 s VAL 54 N 1.63 5.12 -0.20 1.68 1.01 0.79 -1.93 120.40 128.52 2d90 s VAL 54 Ca 0.16 0.09 0.15 0.00 0.00 0.00 0.00 61.98 62.38 2d90 s VAL 54 Cb -0.15 -3.36 -0.23 0.00 0.00 0.00 0.00 36.38 32.64 2d90 s VAL 54 CO 0.08 0.38 0.03 1.33 0.00 0.00 0.00 175.10 176.93 2d90 n VAL 55 N 4.07 1.34 -4.10 2.92 0.24 -1.09 -1.63 118.33 120.08 2d90 n VAL 55 Ca -0.16 -0.78 -0.08 0.00 -2.04 0.00 0.00 64.34 61.28 2d90 n VAL 55 Cb 0.52 -0.61 -0.10 0.00 -1.47 0.00 0.00 33.84 32.18 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 -2.47 0.59 -0.10 2.33 0.00 -1.25 -1.63 121.76 119.23 2d90 s ALA 56 Ca -0.13 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 50.63 2d90 s ALA 56 Cb 0.06 0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.45 2d90 s ALA 56 CO 0.76 -0.30 0.12 0.08 0.00 0.00 0.00 175.76 176.42 2d90 s VAL 57 N -3.49 -0.19 -1.21 0.00 1.01 0.89 -2.32 120.40 115.09 2d90 s VAL 57 Ca 0.05 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 2d90 s VAL 57 Cb 0.05 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 36.10 2d90 s VAL 57 CO -0.07 0.05 0.65 0.59 0.00 0.00 0.00 175.10 176.32 2d90 n ASN 58 N 5.31 -5.38 -1.78 3.32 3.02 -0.11 -2.98 115.26 116.65 2d90 n ASN 58 Ca -0.05 -0.30 -0.08 0.00 -0.03 0.00 0.00 54.58 54.13 2d90 n ASN 58 Cb 0.50 -4.14 0.03 0.00 -0.61 0.00 0.00 39.78 35.56 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 0.27 3.40 7.41 0.00 -1.26 -5.04 105.19 108.47 2d90 n GLY 59 Ca -0.06 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 -5.00 0.59 -0.37 1.61 1.02 -1.16 -5.12 119.74 111.32 2d90 s LYS 60 Ca 0.11 0.70 -0.29 0.00 0.02 0.00 0.00 55.97 56.51 2d90 s LYS 60 Cb -0.05 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.55 2d90 s LYS 60 CO 0.27 -0.07 1.43 -1.12 -0.92 0.00 0.00 175.35 174.94 2d90 s SER 61 N 0.27 6.39 -0.20 2.83 0.01 -1.26 -0.07 113.70 121.66 2d90 s SER 61 Ca -0.00 1.01 0.16 0.00 1.31 0.00 0.00 55.95 58.42 2d90 s SER 61 Cb -0.04 -2.54 -0.24 0.00 0.21 0.00 0.00 66.02 63.42 2d90 s SER 61 CO 0.01 -1.36 0.06 1.33 0.41 0.00 0.00 173.24 173.69 2d90 n VAL 62 N 6.85 1.41 -0.32 3.43 0.24 -0.65 -4.41 118.33 124.88 2d90 n VAL 62 Ca 0.17 -0.82 0.29 0.00 -2.04 0.00 0.00 64.34 61.94 2d90 n VAL 62 Cb 0.47 -0.61 0.55 0.00 -1.47 0.00 0.00 33.84 32.79 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 0.03 -0.59 7.34 -0.00 -1.68 1.05 114.58 120.72 2d90 h GLU 63 Ca -0.54 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 58.81 2d90 h GLU 63 Cb 2.20 -0.01 -0.03 0.00 -0.00 0.00 0.00 28.75 30.91 2d90 h GLU 63 CO 0.02 0.02 0.33 0.00 -0.00 0.00 0.00 179.01 179.38 2d90 h ALA 64 N 1.99 0.76 -1.95 1.06 0.00 -1.87 -3.38 119.26 115.86 2d90 h ALA 64 Ca 0.81 -0.09 -0.38 0.00 0.00 0.00 0.00 54.91 55.26 2d90 h ALA 64 Cb 2.09 -0.24 0.22 0.00 0.00 0.00 0.00 17.79 19.86 2d90 h ALA 64 CO -0.77 0.26 -0.13 -0.51 0.00 0.00 0.00 179.25 178.10 2d90 s LEU 65 N -9.99 -1.35 0.45 0.00 1.43 0.36 -5.05 118.68 104.53 2d90 s LEU 65 Ca -0.13 0.76 0.07 0.00 -1.03 0.00 0.00 54.13 53.81 2d90 s LEU 65 Cb 0.13 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 2d90 s LEU 65 CO 0.77 -5.53 0.38 1.51 0.23 0.00 0.00 176.35 173.71 2d90 s ASP 66 N -3.25 4.90 0.16 2.29 -4.77 -1.26 -4.81 116.67 109.93 2d90 s ASP 66 Ca 0.69 -0.89 -0.14 0.00 -3.30 0.00 0.00 52.55 48.90 2d90 s ASP 66 Cb -0.11 -0.31 0.14 0.00 -1.09 0.00 0.00 42.92 41.55 2d90 s ASP 66 CO 0.57 -0.77 1.14 1.57 0.70 0.00 0.00 175.17 178.37 2d90 n HIS 67 N -1.60 -0.03 0.25 2.11 -0.00 -1.26 -0.11 115.22 114.58 2d90 n HIS 67 Ca 0.03 0.91 -0.15 0.00 -0.00 0.00 0.00 57.72 58.50 2d90 n HIS 67 Cb 0.63 -0.74 -0.08 0.00 -0.00 0.00 0.00 29.99 29.79 2d90 n HIS 67 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 2d90 h ASP 68 N 0.00 -0.53 -0.75 0.26 3.58 -1.98 -2.40 116.42 114.60 2d90 h ASP 68 Ca 0.23 -0.06 0.08 0.00 0.42 0.00 0.00 57.03 57.71 2d90 h ASP 68 Cb 0.42 0.14 -0.11 0.00 1.72 0.00 0.00 39.33 41.49 2d90 h ASP 68 CO -0.72 -0.26 -0.54 1.23 -2.88 0.00 0.00 179.24 176.07 2d90 h GLY 69 N -0.79 -0.76 0.08 -0.78 0.00 -0.88 0.28 103.07 100.22 2d90 h GLY 69 Ca -0.06 0.72 -0.00 0.00 0.00 0.00 0.00 47.33 47.98 2d90 h GLY 69 CO 0.11 -0.06 -0.07 -2.08 0.00 0.00 0.00 176.54 174.44 2d90 h VAL 70 N -0.16 0.00 -0.89 4.60 2.07 -1.05 -1.70 116.25 119.13 2d90 h VAL 70 Ca 0.15 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.93 2d90 h VAL 70 Cb 0.51 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2d90 h VAL 70 CO -0.80 0.00 0.99 0.58 0.02 0.00 0.00 177.57 178.36 2d90 h VAL 71 N -0.15 0.11 -0.07 2.57 2.07 -1.15 0.63 116.25 120.27 2d90 h VAL 71 Ca -0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 2d90 h VAL 71 Cb 0.13 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2d90 h VAL 71 CO -0.00 0.00 -0.23 -0.08 0.02 0.00 0.00 177.57 177.27 2d90 h GLU 72 N 0.00 0.27 -0.71 1.57 4.57 0.41 -3.21 114.58 117.48 2d90 h GLU 72 Ca 0.42 -0.21 0.15 0.00 -1.18 0.00 0.00 59.36 58.55 2d90 h GLU 72 Cb 2.40 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 30.92 2d90 h GLU 72 CO -0.00 0.84 0.12 0.52 -1.18 0.00 0.00 179.01 179.30 2d90 h MET 73 N -0.24 0.21 -0.97 1.92 2.86 0.10 0.35 114.93 119.16 2d90 h MET 73 Ca -0.01 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 2d90 h MET 73 Cb 0.87 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.41 2d90 h MET 73 CO 0.05 0.14 0.63 0.82 1.06 0.00 0.00 176.91 179.60 2d90 h ILE 74 N 0.21 1.05 -0.03 -1.22 5.03 -1.58 -1.33 117.51 119.64 2d90 h ILE 74 Ca 0.39 -0.38 -0.22 0.00 -0.12 0.00 0.00 64.86 64.53 2d90 h ILE 74 Cb 0.66 -0.14 0.00 0.00 -3.03 0.00 0.00 36.82 34.32 2d90 h ILE 74 CO -0.53 0.20 -0.90 0.03 -0.68 0.00 0.00 178.15 176.27 2d90 h ARG 75 N 1.10 0.50 0.00 2.37 3.08 -0.74 -3.15 114.38 117.54 2d90 h ARG 75 Ca 0.43 -0.49 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2d90 h ARG 75 Cb 0.23 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2d90 h ARG 75 CO -0.18 1.13 -0.13 0.87 -1.07 0.00 0.00 179.97 180.60 2d90 h LYS 76 N 0.30 0.00 -1.97 0.04 1.57 0.35 -3.02 116.57 113.84 2d90 h LYS 76 Ca -0.07 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 2d90 h LYS 76 Cb 1.52 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.78 2d90 h LYS 76 CO 0.16 0.13 -0.15 0.41 -0.57 0.00 0.00 179.45 179.43 2d90 n GLY 77 N -1.07 2.98 7.00 3.86 0.00 -0.58 -4.96 105.19 112.42 2d90 n GLY 77 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2d90 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d90 n GLY 78 N 1.90 3.27 0.12 -0.02 0.00 -1.14 -3.34 105.19 105.98 2d90 n GLY 78 Ca 0.27 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 2.78 1.76 -4.66 1.61 9.92 -1.26 -4.69 116.55 122.00 2d90 n ASP 79 Ca 0.00 0.21 -0.32 0.00 -0.53 0.00 0.00 54.79 54.14 2d90 n ASP 79 Cb 0.00 -0.57 -0.09 0.00 -0.64 0.00 0.00 41.12 39.82 2d90 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2d90 s GLN 80 N -2.56 2.68 -0.23 -1.24 -2.07 -1.21 -0.25 119.66 114.78 2d90 s GLN 80 Ca -0.19 -0.67 -0.19 0.00 -1.82 0.00 0.00 55.36 52.48 2d90 s GLN 80 Cb 0.07 -2.60 0.06 0.00 -1.09 0.00 0.00 33.01 29.45 2d90 s GLN 80 CO 0.77 0.61 0.60 -0.08 -1.32 0.00 0.00 175.29 175.86 2d90 s THR 81 N -1.09 -0.00 0.26 3.63 -1.32 -0.81 -4.78 115.64 111.52 2d90 s THR 81 Ca 0.20 0.01 -0.21 0.00 -1.21 0.00 0.00 61.69 60.47 2d90 s THR 81 Cb -0.11 -0.84 -0.09 0.00 -1.51 0.00 0.00 72.50 69.94 2d90 s THR 81 CO 0.10 0.00 0.79 -0.89 -2.21 0.00 0.00 174.62 172.42 2d90 s THR 82 N 0.59 4.46 0.22 5.08 2.01 -1.26 -3.25 115.64 123.50 2d90 s THR 82 Ca -0.02 1.44 0.10 0.00 0.31 0.00 0.00 61.69 63.52 2d90 s THR 82 Cb -0.05 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 2d90 s THR 82 CO -0.03 0.17 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.14 2d90 s LEU 83 N -2.03 2.54 -0.34 4.42 1.43 0.90 -0.93 118.68 124.67 2d90 s LEU 83 Ca 0.46 -0.99 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2d90 s LEU 83 Cb -0.17 -0.88 0.11 0.00 0.03 0.00 0.00 46.19 45.28 2d90 s LEU 83 CO 0.22 -0.05 0.11 -0.22 0.23 0.00 0.00 176.35 176.64 2d90 s LEU 84 N -3.23 2.92 0.09 1.79 2.96 -0.98 -1.07 118.68 121.17 2d90 s LEU 84 Ca 0.24 -1.95 -0.00 0.00 -0.22 0.00 0.00 54.13 52.20 2d90 s LEU 84 Cb -0.04 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 2d90 s LEU 84 CO 0.10 -0.38 0.26 0.68 -1.32 0.00 0.00 176.35 175.69 2d90 s VAL 85 N 1.21 5.33 -0.05 1.68 -7.23 -1.15 -2.67 120.40 117.52 2d90 s VAL 85 Ca 0.12 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.92 2d90 s VAL 85 Cb -0.19 -3.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.07 2d90 s VAL 85 CO -0.17 0.07 -0.04 -0.76 -0.31 0.00 0.00 175.10 173.89 2d90 s LEU 86 N -2.69 3.33 -0.05 1.32 2.01 -0.81 -1.32 118.68 120.46 2d90 s LEU 86 Ca 0.36 0.01 -0.19 0.00 0.01 0.00 0.00 54.13 54.32 2d90 s LEU 86 Cb -0.12 -1.78 -0.31 0.00 0.01 0.00 0.00 46.19 43.98 2d90 s LEU 86 CO 0.28 0.35 0.83 -2.24 1.01 0.00 0.00 176.35 176.58 2d90 h ASP 87 N 5.01 0.51 -0.59 2.29 2.03 -1.95 -3.03 116.42 120.70 2d90 h ASP 87 Ca -0.49 -0.93 0.01 0.00 -0.73 0.00 0.00 57.03 54.89 2d90 h ASP 87 Cb 1.18 -0.17 -0.03 0.00 -0.83 0.00 0.00 39.33 39.48 2d90 h ASP 87 CO 0.54 1.50 0.38 0.11 -1.03 0.00 0.00 179.24 180.73 2d90 h LYS 88 N -0.27 0.74 -1.04 4.15 1.79 -1.98 -2.14 116.57 117.82 2d90 h LYS 88 Ca -0.20 -0.04 -0.51 0.00 -2.18 0.00 0.00 60.65 57.72 2d90 h LYS 88 Cb 1.76 -0.17 -0.27 0.00 -1.58 0.00 0.00 32.23 31.98 2d90 h LYS 88 CO 0.15 0.49 0.65 0.39 -1.08 0.00 0.00 179.45 180.05 2d90 n GLU 89 N -4.71 2.24 -0.11 3.15 -0.58 -1.26 -4.38 120.64 114.99 2d90 n GLU 89 Ca 0.04 -2.73 -0.23 0.00 -0.42 0.00 0.00 57.16 53.82 2d90 n GLU 89 Cb 0.04 -2.07 -0.10 0.00 -0.57 0.00 0.00 31.44 28.74 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 -0.83 0.90 -2.59 0.62 0.00 -0.80 -4.20 120.51 113.61 2d90 n ALA 90 Ca 0.54 -0.68 -0.38 0.00 0.00 0.00 0.00 53.44 52.91 2d90 n ALA 90 Cb 1.21 -0.31 -0.11 0.00 0.00 0.00 0.00 19.45 20.24 2d90 n ALA 90 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2d90 s GLU 91 N -2.41 3.95 -0.24 0.00 2.02 -1.26 -4.47 118.70 116.29 2d90 s GLU 91 Ca -0.31 -0.29 -0.09 0.00 0.02 0.00 0.00 54.97 54.29 2d90 s GLU 91 Cb 0.08 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 2d90 s GLU 91 CO 0.54 -0.19 0.13 0.45 0.02 0.00 0.00 175.26 176.21 2d90 s SER 92 N 1.75 5.81 0.15 -0.19 0.15 -1.26 -5.08 113.70 115.04 2d90 s SER 92 Ca 0.08 0.01 0.08 0.00 0.70 0.00 0.00 55.95 56.81 2d90 s SER 92 Cb -0.16 -2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 2d90 s SER 92 CO 0.11 0.04 -0.06 0.27 1.20 0.00 0.00 173.24 174.80 2d90 s ILE 93 N 1.22 3.48 -0.12 6.45 -5.25 -1.26 -5.13 121.20 120.59 2d90 s ILE 93 Ca 0.06 -1.43 -0.12 0.00 -0.99 0.00 0.00 60.65 58.17 2d90 s ILE 93 Cb -0.14 -2.71 0.03 0.00 2.95 0.00 0.00 42.46 42.59 2d90 s ILE 93 CO 0.05 -0.04 0.35 -0.31 -1.79 0.00 0.00 174.94 173.20 2d90 s TYR 94 N -1.57 -0.37 -0.30 1.37 1.51 -1.26 -5.15 117.35 111.59 2d90 s TYR 94 Ca 0.25 0.89 -0.07 0.00 -1.01 0.00 0.00 57.07 57.13 2d90 s TYR 94 Cb -0.10 0.13 0.15 0.00 -0.11 0.00 0.00 41.96 42.03 2d90 s TYR 94 CO 0.16 -0.20 0.63 -1.12 -1.11 0.00 0.00 175.55 173.90 2d90 s SER 95 N 0.06 -1.18 -0.26 2.29 0.01 -1.26 -5.13 113.70 108.22 2d90 s SER 95 Ca -0.01 1.33 0.01 0.00 1.31 0.00 0.00 55.95 58.59 2d90 s SER 95 Cb -0.03 2.23 0.07 0.00 0.21 0.00 0.00 66.02 68.50 2d90 s SER 95 CO 0.01 -0.23 -0.01 -0.22 0.41 0.00 0.00 173.24 173.19 2d90 s LEU 96 N 2.88 2.89 -0.65 2.44 1.98 -1.26 -5.08 118.68 121.87 2d90 s LEU 96 Ca 0.03 -1.41 -0.27 0.00 -2.89 0.00 0.00 54.13 49.59 2d90 s LEU 96 Cb -0.13 -1.21 0.03 0.00 0.66 0.00 0.00 46.19 45.54 2d90 s LEU 96 CO -0.19 -0.29 1.21 -0.55 -1.89 0.00 0.00 176.35 174.64 2d90 s SER 97 N 1.35 6.30 0.24 3.68 0.15 -1.26 -5.00 113.70 119.15 2d90 s SER 97 Ca -0.01 -0.21 -0.30 0.00 0.70 0.00 0.00 55.95 56.13 2d90 s SER 97 Cb -0.19 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.49 2d90 s SER 97 CO -0.09 -1.63 1.01 -0.83 1.20 0.00 0.00 173.24 172.89 2d90 s GLY 98 N 3.34 3.07 -0.91 9.45 0.00 -1.26 -4.95 107.32 116.07 2d90 s GLY 98 Ca 0.38 0.73 -0.25 0.00 0.00 0.00 0.00 44.72 45.58 2d90 s GLY 98 CO 0.20 1.35 1.94 2.56 0.00 0.00 0.00 173.10 179.15 2d90 s PRO 99 N -1.12 2.56 0.58 2.90 0.04 -1.26 -4.96 135.00 133.73 2d90 s PRO 99 Ca 0.43 -0.30 -0.07 0.00 0.04 0.00 0.00 61.00 61.10 2d90 s PRO 99 Cb -0.28 -5.07 -0.01 0.00 0.04 0.00 0.00 34.50 29.18 2d90 s PRO 99 CO 0.35 -3.38 0.91 -1.12 0.04 0.00 0.00 177.00 173.81 2d90 s SER 100 N 8.00 5.89 -0.13 6.66 0.01 -1.26 -5.08 113.70 127.80 2d90 s SER 100 Ca 0.70 0.96 -0.04 0.00 1.31 0.00 0.00 55.95 58.88 2d90 s SER 100 Cb -0.07 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 2d90 s SER 100 CO -0.01 -0.92 0.01 -0.94 0.41 0.00 0.00 173.24 171.80 2d90 s SER 101 N -4.23 5.26 0.00 2.44 1.04 -1.26 -5.32 113.70 111.63 2d90 s SER 101 Ca 0.53 0.07 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2d90 s SER 101 Cb -0.11 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.32 2d90 s SER 101 CO 0.47 0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.58