#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 6.86 -0.29 1.61 0.15 -1.26 -5.01 113.70 115.77 2d90 s SER 2 Ca 0.00 1.07 -0.18 0.00 0.70 0.00 0.00 55.95 57.54 2d90 s SER 2 Cb 0.00 -2.44 0.15 0.00 -1.71 0.00 0.00 66.02 62.02 2d90 s SER 2 CO 0.00 -0.48 1.01 -0.94 1.20 0.00 0.00 173.24 174.04 2d90 s SER 3 N 1.28 -0.46 0.00 5.45 1.04 -1.26 -5.06 113.70 114.69 2d90 s SER 3 Ca 0.36 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.55 2d90 s SER 3 Cb -0.16 1.11 0.00 0.00 0.10 0.00 0.00 66.02 67.07 2d90 s SER 3 CO 0.09 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.79 2d90 n GLY 4 N 3.37 1.71 3.09 7.32 0.00 -1.26 -4.95 105.19 114.48 2d90 n GLY 4 Ca -0.17 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 2d90 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d90 n SER 5 N 0.00 -5.21 -4.07 1.61 7.64 -1.26 -4.97 113.62 107.36 2d90 n SER 5 Ca 0.00 -0.42 -0.35 0.00 1.01 0.00 0.00 58.87 59.12 2d90 n SER 5 Cb 0.00 -3.97 -0.08 0.00 -1.01 0.00 0.00 64.21 59.15 2d90 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d90 s SER 6 N -3.28 5.62 0.00 6.43 1.04 -1.26 -4.95 113.70 117.30 2d90 s SER 6 Ca 0.43 -3.53 0.00 0.00 0.48 0.00 0.00 55.95 53.33 2d90 s SER 6 Cb -0.19 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.08 2d90 s SER 6 CO 0.56 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.17 2d90 n GLY 7 N 2.56 2.77 3.89 7.32 0.00 -1.26 -4.94 105.19 115.53 2d90 n GLY 7 Ca 0.18 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 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 -5.18 3.70 -0.05 1.61 1.70 0.17 -4.88 118.95 116.02 2d90 s ARG 8 Ca 0.00 0.12 -0.16 0.00 -0.47 0.00 0.00 55.73 55.22 2d90 s ARG 8 Cb 0.00 -2.65 -0.05 0.00 -0.57 0.00 0.00 34.95 31.68 2d90 s ARG 8 CO 0.00 0.25 0.42 0.08 -1.08 0.00 0.00 175.30 174.97 2d90 s VAL 9 N -1.97 5.11 0.12 4.99 1.01 -1.26 -2.51 120.40 125.89 2d90 s VAL 9 Ca 0.45 0.85 0.10 0.00 0.00 0.00 0.00 61.98 63.38 2d90 s VAL 9 Cb -0.11 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2d90 s VAL 9 CO 0.26 0.48 -0.26 -0.69 0.00 0.00 0.00 175.10 174.89 2d90 s VAL 10 N -0.36 2.14 -0.05 2.92 1.01 0.88 -4.96 120.40 121.98 2d90 s VAL 10 Ca 0.24 -1.71 -0.02 0.00 0.00 0.00 0.00 61.98 60.49 2d90 s VAL 10 Cb -0.16 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.36 2d90 s VAL 10 CO 0.11 0.06 0.10 -0.69 0.00 0.00 0.00 175.10 174.68 2d90 s VAL 11 N -1.08 -0.07 0.06 2.92 1.01 -1.26 -0.50 120.40 121.48 2d90 s VAL 11 Ca 0.12 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.33 2d90 s VAL 11 Cb -0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 2d90 s VAL 11 CO 0.06 0.09 -0.05 -0.63 0.00 0.00 0.00 175.10 174.56 2d90 s ILE 12 N 1.27 0.46 -0.14 2.22 1.01 -1.21 -4.67 121.20 120.13 2d90 s ILE 12 Ca -0.08 -1.58 -0.03 0.00 0.00 0.00 0.00 60.65 58.96 2d90 s ILE 12 Cb -0.12 -1.22 0.05 0.00 0.01 0.00 0.00 42.46 41.17 2d90 s ILE 12 CO -0.05 -0.75 0.04 -0.54 0.00 0.00 0.00 174.94 173.64 2d90 s LYS 13 N -3.06 0.45 0.01 2.79 1.02 -1.26 -2.21 119.74 117.47 2d90 s LYS 13 Ca 0.02 -0.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.59 2d90 s LYS 13 Cb 0.01 -1.60 -0.15 0.00 -0.52 0.00 0.00 37.83 35.57 2d90 s LYS 13 CO -0.05 -0.53 0.76 1.17 -0.92 0.00 0.00 175.35 175.79 2d90 n LYS 14 N 5.15 0.00 0.10 1.68 4.81 0.60 -4.75 118.16 125.76 2d90 n LYS 14 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 2d90 n LYS 14 Cb 0.49 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 34.46 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 1.12 -1.17 3.37 3.14 0.00 -0.92 -4.99 105.19 105.73 2d90 n GLY 15 Ca 0.15 0.20 -0.46 0.00 0.00 0.00 0.00 46.02 45.90 2d90 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d90 s SER 16 N -2.07 6.70 -1.47 1.61 0.01 -1.26 -4.63 113.70 112.60 2d90 s SER 16 Ca 0.00 -2.45 -0.19 0.00 1.31 0.00 0.00 55.95 54.62 2d90 s SER 16 Cb 0.00 -2.27 0.19 0.00 0.21 0.00 0.00 66.02 64.15 2d90 s SER 16 CO 0.00 -0.74 0.47 -3.20 0.41 0.00 0.00 173.24 170.18 2d90 n ASN 17 N 4.83 -1.45 0.00 2.44 5.15 -1.26 -4.24 115.26 120.72 2d90 n ASN 17 Ca 0.16 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 2d90 n ASN 17 Cb 0.47 -1.28 0.00 0.00 -0.53 0.00 0.00 39.78 38.45 2d90 n ASN 17 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2d90 n GLY 18 N -0.93 0.40 0.53 8.20 0.00 -1.26 -4.92 105.19 107.21 2d90 n GLY 18 Ca 0.09 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 2d90 n GLY 18 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2d90 n TYR 19 N 1.77 0.00 0.00 1.61 4.02 -1.26 -2.17 117.16 121.13 2d90 n TYR 19 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2d90 n TYR 19 Cb 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 38.85 2d90 n TYR 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2d90 n GLY 20 N 2.14 1.58 3.47 2.72 0.00 -1.26 -1.50 105.19 112.34 2d90 n GLY 20 Ca -0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 -0.58 0.42 1.61 -0.71 -1.26 -2.65 117.98 112.81 2d90 s PHE 21 Ca 0.00 0.87 0.05 0.00 -1.04 0.00 0.00 56.93 56.81 2d90 s PHE 21 Cb 0.00 0.40 -0.06 0.00 -1.21 0.00 0.00 43.02 42.15 2d90 s PHE 21 CO 0.00 -0.63 0.02 0.71 -1.34 0.00 0.00 175.22 173.98 2d90 s TYR 22 N -1.73 2.23 -0.02 3.49 1.51 -1.17 -5.01 117.35 116.66 2d90 s TYR 22 Ca -0.09 -0.82 0.01 0.00 -1.01 0.00 0.00 57.07 55.16 2d90 s TYR 22 Cb -0.01 -1.62 0.01 0.00 -0.11 0.00 0.00 41.96 40.24 2d90 s TYR 22 CO 0.05 0.28 -0.02 -0.51 -1.11 0.00 0.00 175.55 174.24 2d90 s LEU 23 N -3.70 1.54 -0.03 -1.29 1.43 -1.26 -3.45 118.68 111.92 2d90 s LEU 23 Ca 0.28 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 2d90 s LEU 23 Cb 0.07 -0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.08 2d90 s LEU 23 CO 0.14 -0.04 -0.10 -0.60 0.23 0.00 0.00 176.35 175.98 2d90 s ARG 24 N 0.54 1.09 -0.35 1.70 3.52 -0.25 -4.96 118.95 120.24 2d90 s ARG 24 Ca -0.05 -0.34 -0.27 0.00 -0.13 0.00 0.00 55.73 54.93 2d90 s ARG 24 Cb -0.09 -1.00 -0.06 0.00 -1.56 0.00 0.00 34.95 32.25 2d90 s ARG 24 CO -0.01 0.12 2.32 0.00 -0.81 0.00 0.00 175.30 176.92 2d90 n ALA 25 N 3.30 1.33 -1.00 6.12 0.00 -1.26 -2.45 120.51 126.54 2d90 n ALA 25 Ca -0.18 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.70 2d90 n ALA 25 Cb 0.54 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.95 2d90 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d90 n GLY 26 N 5.90 -1.84 0.00 0.00 0.00 -1.26 -4.98 105.19 103.01 2d90 n GLY 26 Ca 0.34 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.84 -0.41 0.31 1.61 -0.04 -1.26 -4.78 135.00 129.59 2d90 n PRO 27 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2d90 n PRO 27 Cb 0.00 0.00 0.51 0.00 -0.04 0.00 0.00 33.50 33.97 2d90 n PRO 27 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2d90 h GLU 28 N 0.00 0.00 -6.64 0.54 4.11 -1.99 -3.41 114.58 107.18 2d90 h GLU 28 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.91 2d90 h GLU 28 Cb 0.00 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.30 2d90 h GLU 28 CO 0.00 0.00 0.96 -1.14 0.07 0.00 0.00 179.01 178.90 2d90 s GLN 29 N -3.95 4.16 0.11 1.06 2.00 -1.26 -4.93 119.66 116.85 2d90 s GLN 29 Ca -0.02 2.52 -0.31 0.00 -2.00 0.00 0.00 55.36 55.55 2d90 s GLN 29 Cb 0.05 -3.10 -0.08 0.00 0.80 0.00 0.00 33.01 30.68 2d90 s GLN 29 CO 0.17 -0.70 1.39 0.15 -0.50 0.00 0.00 175.29 175.80 2d90 s LYS 30 N 1.11 4.32 0.00 1.67 -0.14 -1.26 -4.79 119.74 120.64 2d90 s LYS 30 Ca 0.73 2.07 0.00 0.00 -1.36 0.00 0.00 55.97 57.41 2d90 s LYS 30 Cb -0.48 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 32.43 2d90 s LYS 30 CO 0.32 -0.43 0.00 0.41 -0.76 0.00 0.00 175.35 174.89 2d90 n GLY 31 N 3.48 2.80 3.46 -3.33 0.00 -1.17 -4.79 105.19 105.65 2d90 n GLY 31 Ca 0.11 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.14 2.66 0.09 1.61 -1.52 -0.68 -4.21 119.66 115.48 2d90 s GLN 32 Ca 0.00 -0.69 -0.11 0.00 -1.95 0.00 0.00 55.36 52.61 2d90 s GLN 32 Cb 0.00 -2.43 -0.06 0.00 -0.22 0.00 0.00 33.01 30.30 2d90 s GLN 32 CO 0.00 0.55 0.44 0.42 -0.25 0.00 0.00 175.29 176.45 2d90 s ILE 33 N -0.55 5.03 0.21 1.08 1.01 -1.03 -0.10 121.20 126.85 2d90 s ILE 33 Ca 0.08 0.57 -0.00 0.00 0.00 0.00 0.00 60.65 61.29 2d90 s ILE 33 Cb -0.12 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2d90 s ILE 33 CO 0.01 0.29 0.40 -0.63 0.00 0.00 0.00 174.94 175.01 2d90 s ILE 34 N -1.40 5.20 -0.16 2.92 1.01 0.22 -1.09 121.20 127.90 2d90 s ILE 34 Ca 0.34 -0.39 -0.34 0.00 0.00 0.00 0.00 60.65 60.26 2d90 s ILE 34 Cb -0.14 -3.74 0.13 0.00 0.01 0.00 0.00 42.46 38.72 2d90 s ILE 34 CO 0.18 -0.20 1.18 -1.59 0.00 0.00 0.00 174.94 174.51 2d90 s LYS 35 N -3.39 0.37 -0.91 2.79 -2.85 -1.22 -1.41 119.74 113.12 2d90 s LYS 35 Ca 0.38 -0.14 -0.03 0.00 -1.00 0.00 0.00 55.97 55.18 2d90 s LYS 35 Cb -0.11 0.17 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2d90 s LYS 35 CO 0.29 -0.16 0.77 -0.25 0.10 0.00 0.00 175.35 176.10 2d90 n ASP 36 N -0.13 -3.44 -4.75 0.03 8.00 -1.26 -3.02 116.55 111.99 2d90 n ASP 36 Ca -0.01 -0.42 -0.41 0.00 0.71 0.00 0.00 54.79 54.66 2d90 n ASP 36 Cb 0.59 -3.77 -0.03 0.00 -0.02 0.00 0.00 41.12 37.89 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 -3.24 3.17 0.13 0.53 1.01 -1.26 -4.59 121.20 116.95 2d90 s ILE 37 Ca 0.19 1.03 -0.22 0.00 0.00 0.00 0.00 60.65 61.65 2d90 s ILE 37 Cb -0.08 -3.66 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 2d90 s ILE 37 CO 0.52 0.19 0.68 -1.61 0.00 0.00 0.00 174.94 174.72 2d90 s GLU 38 N -0.70 4.39 0.57 2.79 2.02 -1.09 -5.01 118.70 121.68 2d90 s GLU 38 Ca 0.53 0.96 -0.18 0.00 0.02 0.00 0.00 54.97 56.29 2d90 s GLU 38 Cb -0.36 -3.22 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 2d90 s GLU 38 CO 0.42 0.59 1.12 -1.25 0.02 0.00 0.00 175.26 176.16 2d90 s PRO 39 N -1.21 3.22 -1.01 0.39 0.04 -1.26 -3.04 135.00 132.12 2d90 s PRO 39 Ca 0.34 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2d90 s PRO 39 Cb -0.21 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2d90 s PRO 39 CO 0.23 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.73 2d90 n GLY 40 N -0.01 0.91 3.91 0.56 0.00 -1.26 -4.90 105.19 104.39 2d90 n GLY 40 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.81 6.46 0.62 1.61 1.04 -1.17 -4.92 113.70 115.53 2d90 s SER 41 Ca 0.00 0.57 0.25 0.00 0.48 0.00 0.00 55.95 57.25 2d90 s SER 41 Cb 0.00 -2.08 1.19 0.00 0.10 0.00 0.00 66.02 65.23 2d90 s SER 41 CO 0.00 -0.02 1.64 -0.65 0.98 0.00 0.00 173.24 175.19 2d90 h PRO 42 N 2.40 0.00 -0.00 4.02 0.11 -1.84 0.95 132.00 137.63 2d90 h PRO 42 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2d90 h PRO 42 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2d90 h PRO 42 CO 0.70 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.45 2d90 h ALA 43 N 1.02 0.01 -0.28 -0.75 0.00 -1.49 -1.76 119.26 116.01 2d90 h ALA 43 Ca 0.22 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2d90 h ALA 43 Cb 1.62 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2d90 h ALA 43 CO -0.00 -0.10 -0.35 1.49 0.00 0.00 0.00 179.25 180.28 2d90 h GLU 44 N -0.66 0.63 -0.03 0.00 4.57 -1.08 -2.78 114.58 115.23 2d90 h GLU 44 Ca -0.00 -0.30 -0.12 0.00 -1.18 0.00 0.00 59.36 57.75 2d90 h GLU 44 Cb 0.76 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 2d90 h GLU 44 CO 0.01 0.89 -0.53 0.00 -1.18 0.00 0.00 179.01 178.20 2d90 h ALA 45 N 1.08 1.05 -0.13 2.92 0.00 -1.21 -2.94 119.26 120.02 2d90 h ALA 45 Ca 0.05 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2d90 h ALA 45 Cb 0.86 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2d90 h ALA 45 CO 0.07 0.67 -0.12 0.00 0.00 0.00 0.00 179.25 179.88 2d90 h ALA 46 N 1.39 1.57 0.00 0.00 0.00 -1.13 -3.46 119.26 117.63 2d90 h ALA 46 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2d90 h ALA 46 Cb 0.96 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2d90 h ALA 46 CO 0.07 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.04 2d90 n GLY 47 N -0.96 0.82 1.86 0.00 0.00 -1.11 -4.74 105.19 101.07 2d90 n GLY 47 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.07 -5.05 117.00 113.01 2d90 n LEU 48 Ca 0.00 -0.33 -0.06 0.00 -0.03 0.00 0.00 56.01 55.58 2d90 n LEU 48 Cb 0.00 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.52 2d90 n LEU 48 CO 0.00 -2.06 0.67 -0.54 -1.33 0.00 0.00 177.39 174.13 2d90 s LYS 49 N -3.10 0.48 0.37 3.23 1.02 -1.26 -4.92 119.74 115.55 2d90 s LYS 49 Ca 0.25 0.69 -0.26 0.00 0.02 0.00 0.00 55.97 56.67 2d90 s LYS 49 Cb -0.04 0.17 -0.12 0.00 -0.52 0.00 0.00 37.83 37.32 2d90 s LYS 49 CO 0.21 -0.08 1.09 0.09 -0.92 0.00 0.00 175.35 175.75 2d90 n ASN 50 N 3.03 1.69 -0.64 2.83 4.13 -1.26 -2.05 115.26 122.99 2d90 n ASN 50 Ca -0.16 1.12 -0.06 0.00 1.68 0.00 0.00 54.58 57.16 2d90 n ASN 50 Cb 0.57 -1.37 -0.01 0.00 -1.54 0.00 0.00 39.78 37.42 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 0.75 -2.81 -4.66 6.41 4.13 -0.50 -4.98 115.26 113.59 2d90 n ASN 51 Ca 0.08 0.04 -0.40 0.00 1.68 0.00 0.00 54.58 55.98 2d90 n ASN 51 Cb 0.36 -1.81 -0.06 0.00 -1.54 0.00 0.00 39.78 36.74 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 -2.78 6.69 -0.30 6.41 1.11 -0.87 -3.82 116.67 123.12 2d90 s ASP 52 Ca 0.00 0.84 -0.12 0.00 0.18 0.00 0.00 52.55 53.45 2d90 s ASP 52 Cb 0.00 -2.34 -0.04 0.00 1.07 0.00 0.00 42.92 41.61 2d90 s ASP 52 CO 0.00 -0.25 0.23 -0.22 1.18 0.00 0.00 175.17 176.11 2d90 s LEU 53 N 1.78 4.18 -0.20 1.23 0.20 -1.26 0.71 118.68 125.32 2d90 s LEU 53 Ca 0.29 -0.11 -0.12 0.00 0.69 0.00 0.00 54.13 54.87 2d90 s LEU 53 Cb -0.16 -2.16 -0.05 0.00 -0.43 0.00 0.00 46.19 43.39 2d90 s LEU 53 CO 0.11 -0.13 0.24 -0.69 -0.29 0.00 0.00 176.35 175.59 2d90 s VAL 54 N 1.79 5.32 -0.08 1.68 1.01 0.86 -1.56 120.40 129.42 2d90 s VAL 54 Ca 0.08 0.40 0.21 0.00 0.00 0.00 0.00 61.98 62.66 2d90 s VAL 54 Cb -0.16 -3.58 -0.31 0.00 0.00 0.00 0.00 36.38 32.33 2d90 s VAL 54 CO 0.11 0.36 0.40 1.33 0.00 0.00 0.00 175.10 177.29 2d90 n VAL 55 N 3.93 0.36 -3.96 2.92 0.24 -0.56 -1.69 118.33 119.57 2d90 n VAL 55 Ca -0.13 -0.59 -0.09 0.00 -2.04 0.00 0.00 64.34 61.49 2d90 n VAL 55 Cb 0.52 -0.13 -0.10 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 -3.26 0.05 -0.04 2.33 0.00 -1.23 -1.34 121.76 118.26 2d90 s ALA 56 Ca -0.08 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 2d90 s ALA 56 Cb 0.12 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.44 2d90 s ALA 56 CO 0.89 -0.21 0.07 0.08 0.00 0.00 0.00 175.76 176.58 2d90 s VAL 57 N -1.83 -0.12 -1.46 0.00 1.01 -0.18 -1.54 120.40 116.28 2d90 s VAL 57 Ca -0.12 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 2d90 s VAL 57 Cb -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.16 2d90 s VAL 57 CO -0.02 0.17 0.31 0.59 0.00 0.00 0.00 175.10 176.15 2d90 n ASN 58 N 5.20 -5.48 -0.86 3.32 4.13 0.16 -1.99 115.26 119.75 2d90 n ASN 58 Ca -0.05 -0.15 -0.08 0.00 1.68 0.00 0.00 54.58 55.98 2d90 n ASN 58 Cb 0.50 -4.41 -0.00 0.00 -1.54 0.00 0.00 39.78 34.33 2d90 n ASN 58 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d90 n GLY 59 N -1.26 0.07 2.91 7.41 0.00 -1.26 -5.00 105.19 108.07 2d90 n GLY 59 Ca -0.15 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 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 -4.35 0.87 -0.07 1.61 -0.14 -0.84 -5.10 119.74 111.72 2d90 s LYS 60 Ca 0.00 -0.14 -0.29 0.00 -1.36 0.00 0.00 55.97 54.18 2d90 s LYS 60 Cb 0.00 -0.85 -0.07 0.00 -1.68 0.00 0.00 37.83 35.23 2d90 s LYS 60 CO 0.00 -0.05 1.98 0.45 -0.76 0.00 0.00 175.35 176.97 2d90 s SER 61 N 0.80 6.18 -0.01 2.83 0.15 -1.26 -1.01 113.70 121.37 2d90 s SER 61 Ca -0.11 2.32 0.07 0.00 0.70 0.00 0.00 55.95 58.93 2d90 s SER 61 Cb -0.14 -2.53 -0.10 0.00 -1.71 0.00 0.00 66.02 61.54 2d90 s SER 61 CO 0.01 -1.32 0.16 1.33 1.20 0.00 0.00 173.24 174.62 2d90 n VAL 62 N 6.25 0.00 0.17 4.45 0.24 -0.74 -4.53 118.33 124.16 2d90 n VAL 62 Ca 0.22 -0.17 0.09 0.00 -2.04 0.00 0.00 64.34 62.44 2d90 n VAL 62 Cb 0.43 0.40 0.48 0.00 -1.47 0.00 0.00 33.84 33.68 2d90 n VAL 62 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2d90 n GLU 63 N -1.69 0.12 0.01 7.34 0.28 -0.45 0.28 120.64 126.53 2d90 n GLU 63 Ca -0.01 0.61 0.08 0.00 -0.16 0.00 0.00 57.16 57.68 2d90 n GLU 63 Cb 0.17 -2.04 -0.13 0.00 1.43 0.00 0.00 31.44 30.88 2d90 n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2d90 n ALA 64 N -1.67 2.56 -1.88 -1.84 0.00 -1.26 -3.07 120.51 113.35 2d90 n ALA 64 Ca -0.01 -0.55 -0.30 0.00 0.00 0.00 0.00 53.44 52.58 2d90 n ALA 64 Cb 0.18 -0.78 0.18 0.00 0.00 0.00 0.00 19.45 19.04 2d90 n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2d90 s LEU 65 N -4.87 2.58 0.43 0.00 1.43 0.14 -5.08 118.68 113.32 2d90 s LEU 65 Ca -0.06 0.32 0.08 0.00 -1.03 0.00 0.00 54.13 53.43 2d90 s LEU 65 Cb 0.12 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 2d90 s LEU 65 CO 0.87 -2.77 0.42 -1.81 0.23 0.00 0.00 176.35 173.29 2d90 s ASP 66 N -4.81 5.09 0.17 2.29 1.01 -1.26 -4.81 116.67 114.35 2d90 s ASP 66 Ca 0.73 -0.74 -0.12 0.00 0.71 0.00 0.00 52.55 53.13 2d90 s ASP 66 Cb -0.05 -0.49 0.20 0.00 1.01 0.00 0.00 42.92 43.59 2d90 s ASP 66 CO 0.53 -0.72 1.14 1.57 0.21 0.00 0.00 175.17 177.90 2d90 n HIS 67 N -1.62 0.05 0.44 4.23 -0.00 -1.26 -0.05 115.22 117.00 2d90 n HIS 67 Ca 0.04 0.91 -0.19 0.00 -0.00 0.00 0.00 57.72 58.48 2d90 n HIS 67 Cb 0.62 -0.79 -0.09 0.00 -0.00 0.00 0.00 29.99 29.72 2d90 n HIS 67 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 2d90 h ASP 68 N 0.00 -0.92 -0.59 0.26 3.32 -1.96 -0.73 116.42 115.80 2d90 h ASP 68 Ca 0.27 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.41 2d90 h ASP 68 Cb 0.45 0.24 -0.09 0.00 0.22 0.00 0.00 39.33 40.15 2d90 h ASP 68 CO -0.73 -0.66 -0.52 1.23 -1.72 0.00 0.00 179.24 176.84 2d90 h GLY 69 N -1.09 -1.07 0.62 2.75 0.00 -0.83 1.11 103.07 104.56 2d90 h GLY 69 Ca -0.11 0.78 -0.01 0.00 0.00 0.00 0.00 47.33 47.99 2d90 h GLY 69 CO 0.18 -0.13 -0.40 -2.08 0.00 0.00 0.00 176.54 174.11 2d90 h VAL 70 N -0.21 0.18 0.00 4.60 2.07 -1.15 0.21 116.25 121.95 2d90 h VAL 70 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2d90 h VAL 70 Cb 0.47 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2d90 h VAL 70 CO -0.67 0.00 0.10 0.58 0.02 0.00 0.00 177.57 177.60 2d90 h VAL 71 N -0.85 0.00 0.05 2.57 2.07 -0.54 -1.92 116.25 117.62 2d90 h VAL 71 Ca -0.04 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 2d90 h VAL 71 Cb 0.75 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2d90 h VAL 71 CO -0.05 0.00 -0.46 -0.08 0.02 0.00 0.00 177.57 177.00 2d90 h GLU 72 N 0.00 0.10 -1.01 1.57 4.57 0.27 -3.27 114.58 116.80 2d90 h GLU 72 Ca 0.00 -0.17 0.24 0.00 -1.18 0.00 0.00 59.36 58.26 2d90 h GLU 72 Cb 0.19 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 28.75 2d90 h GLU 72 CO 0.00 1.08 0.64 0.52 -1.18 0.00 0.00 179.01 180.07 2d90 h MET 73 N -0.78 0.46 -0.37 1.92 2.86 -0.19 0.94 114.93 119.76 2d90 h MET 73 Ca -0.10 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 2d90 h MET 73 Cb 1.26 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 2d90 h MET 73 CO 0.02 0.30 0.07 0.82 1.06 0.00 0.00 176.91 179.19 2d90 h ILE 74 N 0.47 1.23 -0.55 -1.22 2.04 -1.64 -2.55 117.51 115.30 2d90 h ILE 74 Ca 0.58 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 2d90 h ILE 74 Cb 1.34 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 2d90 h ILE 74 CO -0.31 0.28 0.22 0.03 0.00 0.00 0.00 178.15 178.37 2d90 h ARG 75 N 0.45 0.82 -0.18 2.37 -0.00 -0.92 -2.39 114.38 114.52 2d90 h ARG 75 Ca 0.11 -0.15 0.02 0.00 -0.50 0.00 0.00 59.98 59.47 2d90 h ARG 75 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 29.97 30.17 2d90 h ARG 75 CO 0.01 0.71 0.12 0.87 0.00 0.00 0.00 179.97 181.68 2d90 h LYS 76 N 0.75 0.15 -0.95 0.04 1.57 -1.10 -2.04 116.57 114.99 2d90 h LYS 76 Ca 0.18 -0.01 0.23 0.00 -1.87 0.00 0.00 60.65 59.18 2d90 h LYS 76 Cb 0.19 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 2d90 h LYS 76 CO -0.02 0.10 0.63 0.78 -0.57 0.00 0.00 179.45 180.38 2d90 h GLY 77 N 0.16 0.85 0.00 3.86 0.00 -1.00 -3.47 103.07 103.47 2d90 h GLY 77 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2d90 h GLY 77 CO -0.01 -0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.10 2d90 n GLY 78 N -1.53 0.96 0.09 4.60 0.00 -0.77 -4.47 105.19 104.08 2d90 n GLY 78 Ca 0.21 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 1.85 -4.53 1.61 8.00 -1.26 -4.89 116.55 117.33 2d90 n ASP 79 Ca 0.00 0.50 -0.28 0.00 0.71 0.00 0.00 54.79 55.72 2d90 n ASP 79 Cb 0.00 -0.91 -0.10 0.00 -0.02 0.00 0.00 41.12 40.08 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 -2.34 1.91 -0.20 -1.24 -2.07 -1.26 -0.29 119.66 114.17 2d90 s GLN 80 Ca -0.24 -1.23 -0.14 0.00 -1.82 0.00 0.00 55.36 51.93 2d90 s GLN 80 Cb 0.05 -2.13 0.06 0.00 -1.09 0.00 0.00 33.01 29.90 2d90 s GLN 80 CO 0.44 0.46 0.50 -0.08 -1.32 0.00 0.00 175.29 175.28 2d90 s THR 81 N -1.44 -0.01 0.17 3.63 -1.32 -0.94 -4.78 115.64 110.95 2d90 s THR 81 Ca 0.21 0.04 -0.22 0.00 -1.21 0.00 0.00 61.69 60.51 2d90 s THR 81 Cb -0.10 -0.72 -0.08 0.00 -1.51 0.00 0.00 72.50 70.10 2d90 s THR 81 CO 0.13 0.02 0.72 -0.89 -2.21 0.00 0.00 174.62 172.38 2d90 s THR 82 N 1.02 4.50 0.23 5.08 2.01 -1.26 -3.36 115.64 123.87 2d90 s THR 82 Ca -0.06 1.47 0.09 0.00 0.31 0.00 0.00 61.69 63.50 2d90 s THR 82 Cb -0.06 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 2d90 s THR 82 CO -0.09 0.42 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.34 2d90 s LEU 83 N -1.43 2.57 -0.24 4.42 1.43 0.34 0.40 118.68 126.17 2d90 s LEU 83 Ca 0.37 -1.03 -0.03 0.00 -1.03 0.00 0.00 54.13 52.42 2d90 s LEU 83 Cb -0.20 -0.82 0.08 0.00 0.03 0.00 0.00 46.19 45.27 2d90 s LEU 83 CO 0.23 -0.10 0.07 -0.22 0.23 0.00 0.00 176.35 176.56 2d90 s LEU 84 N -3.39 1.29 0.19 1.79 2.96 -0.59 -0.09 118.68 120.85 2d90 s LEU 84 Ca 0.25 -1.08 0.08 0.00 -0.22 0.00 0.00 54.13 53.16 2d90 s LEU 84 Cb -0.02 -0.60 -0.04 0.00 0.50 0.00 0.00 46.19 46.03 2d90 s LEU 84 CO 0.10 -0.36 0.01 0.68 -1.32 0.00 0.00 176.35 175.46 2d90 s VAL 85 N 1.85 3.72 0.27 1.68 -7.23 -1.04 -1.50 120.40 118.16 2d90 s VAL 85 Ca 0.03 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 2d90 s VAL 85 Cb -0.17 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 2d90 s VAL 85 CO -0.17 -0.15 0.42 -0.76 -0.31 0.00 0.00 175.10 174.13 2d90 s LEU 86 N -3.07 4.21 -0.22 1.32 2.01 -0.60 -0.66 118.68 121.68 2d90 s LEU 86 Ca 0.28 0.24 -0.17 0.00 0.01 0.00 0.00 54.13 54.49 2d90 s LEU 86 Cb -0.09 -3.05 -0.18 0.00 0.01 0.00 0.00 46.19 42.88 2d90 s LEU 86 CO 0.19 -0.14 0.09 -0.90 1.01 0.00 0.00 176.35 176.61 2d90 n ASP 87 N -1.40 1.92 0.13 2.29 5.75 -1.26 -3.62 116.55 120.36 2d90 n ASP 87 Ca -0.07 0.36 -0.22 0.00 -0.01 0.00 0.00 54.79 54.85 2d90 n ASP 87 Cb 0.56 -0.90 -0.15 0.00 -1.03 0.00 0.00 41.12 39.59 2d90 n ASP 87 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2d90 h LYS 88 N -0.84 0.45 -0.62 0.11 1.79 -1.97 -3.23 116.57 112.27 2d90 h LYS 88 Ca -0.44 -0.76 0.00 0.00 -2.18 0.00 0.00 60.65 57.26 2d90 h LYS 88 Cb 1.48 0.28 0.00 0.00 -1.58 0.00 0.00 32.23 32.42 2d90 h LYS 88 CO -0.22 1.37 0.00 0.39 -1.08 0.00 0.00 179.45 179.91 2d90 n GLU 89 N -3.65 1.93 -0.08 3.15 1.02 -1.26 -3.99 120.64 117.76 2d90 n GLU 89 Ca -0.14 -0.90 -0.14 0.00 -0.02 0.00 0.00 57.16 55.96 2d90 n GLU 89 Cb 1.08 -1.52 -0.09 0.00 -0.02 0.00 0.00 31.44 30.89 2d90 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d90 h ALA 90 N 2.92 0.11 -2.67 0.62 0.00 -1.62 -3.40 119.26 115.23 2d90 h ALA 90 Ca 0.00 -0.72 -0.51 0.00 0.00 0.00 0.00 54.91 53.68 2d90 h ALA 90 Cb 0.70 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2d90 h ALA 90 CO 0.09 0.35 0.39 -1.83 0.00 0.00 0.00 179.25 178.25 2d90 s GLU 91 N -2.20 4.73 -0.08 0.00 4.04 -1.25 -4.30 118.70 119.65 2d90 s GLU 91 Ca -0.20 1.55 0.00 0.00 0.04 0.00 0.00 54.97 56.36 2d90 s GLU 91 Cb 0.02 -3.31 0.02 0.00 0.02 0.00 0.00 34.13 30.88 2d90 s GLU 91 CO 0.50 0.30 -0.07 0.45 -1.84 0.00 0.00 175.26 174.59 2d90 s SER 92 N -0.52 1.73 0.44 0.83 0.15 -1.26 -5.06 113.70 110.01 2d90 s SER 92 Ca 0.45 -0.23 0.08 0.00 0.70 0.00 0.00 55.95 56.94 2d90 s SER 92 Cb -0.26 -0.69 -0.00 0.00 -1.71 0.00 0.00 66.02 63.35 2d90 s SER 92 CO 0.33 -0.08 0.43 0.27 1.20 0.00 0.00 173.24 175.39 2d90 s ILE 93 N 1.31 2.56 0.04 6.45 -5.25 -1.26 -5.13 121.20 119.92 2d90 s ILE 93 Ca -0.03 -1.29 0.01 0.00 -0.99 0.00 0.00 60.65 58.34 2d90 s ILE 93 Cb -0.14 -2.85 -0.04 0.00 2.95 0.00 0.00 42.46 42.39 2d90 s ILE 93 CO -0.03 0.00 0.10 -0.72 -1.79 0.00 0.00 174.94 172.50 2d90 s TYR 94 N -2.50 3.28 0.37 1.37 -0.85 -1.26 -5.11 117.35 112.65 2d90 s TYR 94 Ca 0.48 0.16 -0.13 0.00 -0.52 0.00 0.00 57.07 57.06 2d90 s TYR 94 Cb -0.04 -1.69 -0.08 0.00 0.38 0.00 0.00 41.96 40.53 2d90 s TYR 94 CO 0.29 0.55 0.78 -1.54 -1.52 0.00 0.00 175.55 174.10 2d90 s SER 95 N -2.13 6.66 0.00 -0.18 1.04 -1.26 -4.98 113.70 112.85 2d90 s SER 95 Ca 0.27 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.96 2d90 s SER 95 Cb -0.12 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2d90 s SER 95 CO 0.19 -0.32 0.40 0.00 0.98 0.00 0.00 173.24 174.49 2d90 n LEU 96 N -0.85 0.42 -4.57 2.42 -0.00 -1.26 -5.02 117.00 108.14 2d90 n LEU 96 Ca 0.03 -0.42 -0.41 0.00 -0.00 0.00 0.00 56.01 55.21 2d90 n LEU 96 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.93 2d90 n LEU 96 CO 0.44 0.10 1.19 -0.94 -0.00 0.00 0.00 177.39 178.19 2d90 s SER 97 N -0.14 6.19 -0.46 1.45 1.04 -1.26 -4.85 113.70 115.67 2d90 s SER 97 Ca 0.00 0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.49 2d90 s SER 97 Cb 0.00 -2.55 0.22 0.00 0.10 0.00 0.00 66.02 63.79 2d90 s SER 97 CO 0.00 -1.71 0.90 0.61 0.98 0.00 0.00 173.24 174.02 2d90 n GLY 98 N 5.26 -0.61 3.75 7.32 0.00 -1.26 -5.16 105.19 114.49 2d90 n GLY 98 Ca 0.09 0.50 -0.31 0.00 0.00 0.00 0.00 46.02 46.30 2d90 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d90 s PRO 99 N 0.72 1.93 0.22 1.61 0.04 -1.26 -5.08 135.00 133.17 2d90 s PRO 99 Ca 0.30 1.06 -0.14 0.00 0.04 0.00 0.00 61.00 62.25 2d90 s PRO 99 Cb 0.13 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.81 2d90 s PRO 99 CO -0.14 -1.84 0.48 0.45 0.04 0.00 0.00 177.00 175.99 2d90 s SER 100 N -3.40 -0.14 0.02 6.66 0.15 -1.26 -5.18 113.70 110.56 2d90 s SER 100 Ca 0.62 -0.75 0.02 0.00 0.70 0.00 0.00 55.95 56.54 2d90 s SER 100 Cb -0.17 0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 64.69 2d90 s SER 100 CO 0.56 -1.09 -0.08 -0.94 1.20 0.00 0.00 173.24 172.90 2d90 s SER 101 N -2.96 0.86 0.00 5.45 1.04 -1.26 -5.36 113.70 111.47 2d90 s SER 101 Ca 0.16 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.23 2d90 s SER 101 Cb -0.01 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2d90 s SER 101 CO 0.04 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.80