#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 2.62 -4.04 1.61 7.64 -1.26 -4.91 113.62 115.28 2d90 n SER 2 Ca 0.00 0.93 -0.29 0.00 1.01 0.00 0.00 58.87 60.53 2d90 n SER 2 Cb 0.00 -1.22 0.19 0.00 -1.01 0.00 0.00 64.21 62.17 2d90 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d90 n SER 3 N 6.51 -2.64 0.00 6.43 7.64 -1.26 -4.95 113.62 125.35 2d90 n SER 3 Ca 0.28 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2d90 n SER 3 Cb 0.19 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 2d90 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d90 n GLY 4 N 2.00 0.91 3.77 0.23 0.00 -1.26 -5.04 105.19 105.81 2d90 n GLY 4 Ca 0.03 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.68 2d90 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d90 n SER 5 N 1.65 -3.72 -4.46 1.61 2.88 -1.26 -4.89 113.62 105.42 2d90 n SER 5 Ca 0.00 -0.75 -0.44 0.00 -1.33 0.00 0.00 58.87 56.35 2d90 n SER 5 Cb 0.00 -4.18 -0.02 0.00 -0.75 0.00 0.00 64.21 59.26 2d90 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d90 s SER 6 N -3.71 6.71 0.00 -3.46 0.01 -1.26 -4.75 113.70 107.24 2d90 s SER 6 Ca 0.40 -2.20 0.00 0.00 1.31 0.00 0.00 55.95 55.47 2d90 s SER 6 Cb -0.20 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2d90 s SER 6 CO 0.80 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2d90 n GLY 7 N 5.30 -0.60 3.91 3.44 0.00 -1.26 -5.02 105.19 110.96 2d90 n GLY 7 Ca 0.27 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.95 3.59 -0.18 1.61 1.70 0.14 -4.90 118.95 117.97 2d90 s ARG 8 Ca 0.00 -0.14 -0.13 0.00 -0.47 0.00 0.00 55.73 54.99 2d90 s ARG 8 Cb 0.00 -2.81 -0.05 0.00 -0.57 0.00 0.00 34.95 31.52 2d90 s ARG 8 CO 0.00 0.40 0.26 0.08 -1.08 0.00 0.00 175.30 174.96 2d90 s VAL 9 N -1.79 5.33 0.08 4.99 1.01 -1.26 -2.39 120.40 126.36 2d90 s VAL 9 Ca 0.41 0.46 0.10 0.00 0.00 0.00 0.00 61.98 62.94 2d90 s VAL 9 Cb -0.12 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2d90 s VAL 9 CO 0.27 0.39 -0.25 -0.69 0.00 0.00 0.00 175.10 174.82 2d90 s VAL 10 N 0.52 2.30 -0.04 2.92 1.01 0.15 -4.96 120.40 122.30 2d90 s VAL 10 Ca 0.14 -1.50 0.01 0.00 0.00 0.00 0.00 61.98 60.63 2d90 s VAL 10 Cb -0.13 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.32 2d90 s VAL 10 CO 0.03 0.25 -0.03 -0.69 0.00 0.00 0.00 175.10 174.66 2d90 s VAL 11 N -0.93 0.40 0.14 2.92 1.01 -1.26 -0.10 120.40 122.58 2d90 s VAL 11 Ca 0.13 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.09 2d90 s VAL 11 Cb -0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2d90 s VAL 11 CO 0.04 0.20 -0.03 -0.63 0.00 0.00 0.00 175.10 174.68 2d90 s ILE 12 N 0.97 0.72 -0.08 2.22 1.01 -0.96 -4.60 121.20 120.48 2d90 s ILE 12 Ca -0.10 -1.97 -0.03 0.00 0.00 0.00 0.00 60.65 58.55 2d90 s ILE 12 Cb -0.14 -1.94 0.04 0.00 0.01 0.00 0.00 42.46 40.43 2d90 s ILE 12 CO -0.01 -0.64 0.07 -0.54 0.00 0.00 0.00 174.94 173.82 2d90 s LYS 13 N -3.87 -0.02 -0.01 2.79 1.02 -1.26 -1.78 119.74 116.61 2d90 s LYS 13 Ca 0.19 0.25 -0.33 0.00 0.02 0.00 0.00 55.97 56.10 2d90 s LYS 13 Cb 0.05 -0.88 -0.16 0.00 -0.52 0.00 0.00 37.83 36.32 2d90 s LYS 13 CO 0.00 -0.42 0.88 1.17 -0.92 0.00 0.00 175.35 176.07 2d90 n LYS 14 N 5.29 0.00 0.00 1.68 4.81 -0.00 -4.78 118.16 125.16 2d90 n LYS 14 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 2d90 n LYS 14 Cb 0.50 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 34.33 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 1.28 0.41 3.71 3.14 0.00 -0.44 -5.00 105.19 108.29 2d90 n GLY 15 Ca 0.17 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 2d90 n GLY 15 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d90 s SER 16 N 1.92 6.97 -1.25 1.61 0.15 -1.26 -3.56 113.70 118.28 2d90 s SER 16 Ca 0.00 2.14 -0.00 0.00 0.70 0.00 0.00 55.95 58.79 2d90 s SER 16 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2d90 s SER 16 CO 0.00 -0.55 0.01 0.59 1.20 0.00 0.00 173.24 174.49 2d90 n ASN 17 N 3.95 0.74 0.00 5.45 4.13 -1.26 -4.21 115.26 124.06 2d90 n ASN 17 Ca 0.10 -1.03 0.00 0.00 1.68 0.00 0.00 54.58 55.33 2d90 n ASN 17 Cb 0.45 -1.27 0.00 0.00 -1.54 0.00 0.00 39.78 37.41 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 -2.25 0.41 0.08 7.41 0.00 -1.23 -4.21 105.19 105.39 2d90 n GLY 18 Ca -0.26 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 0.00 1.61 0.05 -1.90 -1.17 116.97 115.55 2d90 h TYR 19 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2d90 h TYR 19 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2d90 h TYR 19 CO 0.00 1.01 0.00 0.41 -1.05 0.00 0.00 178.16 178.53 2d90 n GLY 20 N 1.57 1.41 3.70 3.88 0.00 -1.26 -0.99 105.19 113.49 2d90 n GLY 20 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.07 2.72 0.25 1.61 -0.71 -1.26 -0.28 117.98 119.24 2d90 s PHE 21 Ca 0.00 -0.30 0.03 0.00 -1.04 0.00 0.00 56.93 55.61 2d90 s PHE 21 Cb 0.00 -1.43 -0.05 0.00 -1.21 0.00 0.00 43.02 40.33 2d90 s PHE 21 CO 0.00 0.48 0.04 0.71 -1.34 0.00 0.00 175.22 175.11 2d90 s TYR 22 N -2.37 1.59 -0.02 3.49 1.51 -1.13 -5.00 117.35 115.42 2d90 s TYR 22 Ca 0.35 -1.02 0.06 0.00 -1.01 0.00 0.00 57.07 55.44 2d90 s TYR 22 Cb -0.04 -0.95 -0.01 0.00 -0.11 0.00 0.00 41.96 40.84 2d90 s TYR 22 CO 0.21 -0.14 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.80 2d90 s LEU 23 N -3.33 2.03 0.00 -1.29 1.43 -1.26 -3.25 118.68 113.02 2d90 s LEU 23 Ca 0.32 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2d90 s LEU 23 Cb 0.07 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.22 2d90 s LEU 23 CO 0.11 0.24 -0.02 -0.60 0.23 0.00 0.00 176.35 176.31 2d90 s ARG 24 N -0.43 0.19 -0.49 1.70 3.52 -0.83 -4.97 118.95 117.64 2d90 s ARG 24 Ca 0.07 -0.19 -0.26 0.00 -0.13 0.00 0.00 55.73 55.21 2d90 s ARG 24 Cb -0.08 -0.11 -0.05 0.00 -1.56 0.00 0.00 34.95 33.14 2d90 s ARG 24 CO -0.00 0.03 2.19 0.00 -0.81 0.00 0.00 175.30 176.70 2d90 s ALA 25 N -0.34 1.97 1.00 6.12 0.00 -1.26 -2.74 121.76 126.50 2d90 s ALA 25 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2d90 s ALA 25 Cb -0.03 -4.29 0.00 0.00 0.00 0.00 0.00 23.12 18.80 2d90 s ALA 25 CO -0.00 -4.03 0.00 0.41 0.00 0.00 0.00 175.76 172.14 2d90 n GLY 26 N 5.85 -1.21 0.00 0.00 0.00 -1.26 -5.00 105.19 103.57 2d90 n GLY 26 Ca 0.30 -1.48 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 0.00 0.14 0.13 1.61 -0.04 -1.26 -4.85 135.00 130.73 2d90 n PRO 27 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2d90 n PRO 27 Cb 0.00 0.00 0.50 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.64 0.15 -1.95 0.54 1.02 -1.26 -4.68 120.64 113.83 2d90 n GLU 28 Ca 0.00 0.51 -0.42 0.00 -0.02 0.00 0.00 57.16 57.23 2d90 n GLU 28 Cb 0.00 -1.88 -0.03 0.00 -0.02 0.00 0.00 31.44 29.52 2d90 n GLU 28 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2d90 s GLN 29 N -3.39 4.18 0.15 3.49 -0.21 -1.26 -4.92 119.66 117.71 2d90 s GLN 29 Ca 0.01 2.28 -0.34 0.00 0.02 0.00 0.00 55.36 57.33 2d90 s GLN 29 Cb 0.08 -3.90 -0.14 0.00 1.00 0.00 0.00 33.01 30.04 2d90 s GLN 29 CO 0.29 -0.82 1.54 1.63 -2.12 0.00 0.00 175.29 175.81 2d90 n LYS 30 N 6.75 2.01 0.00 2.91 4.01 -1.26 -4.79 118.16 127.79 2d90 n LYS 30 Ca 0.17 0.73 0.00 0.00 -0.51 0.00 0.00 58.31 58.70 2d90 n LYS 30 Cb 0.42 -2.48 0.00 0.00 -0.51 0.00 0.00 35.03 32.46 2d90 n LYS 30 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2d90 n GLY 31 N 3.29 3.44 3.93 0.72 0.00 -1.14 -4.85 105.19 110.57 2d90 n GLY 31 Ca 0.17 -1.68 -0.26 0.00 0.00 0.00 0.00 46.02 44.25 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 -4.29 3.49 0.08 1.61 -1.52 -0.84 -4.50 119.66 113.69 2d90 s GLN 32 Ca 0.00 -0.08 0.06 0.00 -1.95 0.00 0.00 55.36 53.38 2d90 s GLN 32 Cb 0.00 -2.52 -0.04 0.00 -0.22 0.00 0.00 33.01 30.24 2d90 s GLN 32 CO 0.00 -0.05 -0.06 0.42 -0.25 0.00 0.00 175.29 175.35 2d90 s ILE 33 N -2.54 3.66 0.02 1.08 1.01 -1.11 -0.11 121.20 123.21 2d90 s ILE 33 Ca 0.44 -1.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 2d90 s ILE 33 Cb -0.10 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 2d90 s ILE 33 CO 0.40 0.16 0.11 -0.63 0.00 0.00 0.00 174.94 174.98 2d90 s ILE 34 N -1.22 4.86 0.04 2.92 1.01 -0.15 -1.97 121.20 126.70 2d90 s ILE 34 Ca 0.22 -0.44 -0.28 0.00 0.00 0.00 0.00 60.65 60.16 2d90 s ILE 34 Cb -0.11 -3.27 0.09 0.00 0.01 0.00 0.00 42.46 39.18 2d90 s ILE 34 CO 0.15 0.28 1.02 -1.59 0.00 0.00 0.00 174.94 174.80 2d90 s LYS 35 N -1.97 0.86 -1.02 2.79 -2.85 -1.20 -1.02 119.74 115.34 2d90 s LYS 35 Ca 0.26 -0.43 -0.05 0.00 -1.00 0.00 0.00 55.97 54.75 2d90 s LYS 35 Cb -0.12 0.33 0.01 0.00 -2.06 0.00 0.00 37.83 35.98 2d90 s LYS 35 CO 0.18 -0.39 0.88 -3.47 0.10 0.00 0.00 175.35 172.65 2d90 n ASP 36 N -0.37 -4.51 -4.72 0.03 2.03 -1.26 -2.85 116.55 104.89 2d90 n ASP 36 Ca -0.07 -0.43 -0.42 0.00 0.52 0.00 0.00 54.79 54.39 2d90 n ASP 36 Cb 0.61 -4.02 -0.03 0.00 -0.72 0.00 0.00 41.12 36.96 2d90 n ASP 36 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2d90 s ILE 37 N -3.25 3.04 0.22 5.18 1.01 -1.25 -4.64 121.20 121.51 2d90 s ILE 37 Ca 0.34 0.78 -0.21 0.00 0.00 0.00 0.00 60.65 61.55 2d90 s ILE 37 Cb -0.15 -3.50 -0.08 0.00 0.01 0.00 0.00 42.46 38.74 2d90 s ILE 37 CO 0.56 0.08 0.75 -1.61 0.00 0.00 0.00 174.94 174.72 2d90 s GLU 38 N 0.75 4.34 0.55 2.79 0.41 0.62 -5.01 118.70 123.15 2d90 s GLU 38 Ca 0.64 0.97 -0.19 0.00 -0.41 0.00 0.00 54.97 55.98 2d90 s GLU 38 Cb -0.39 -2.95 -0.05 0.00 -1.78 0.00 0.00 34.13 28.96 2d90 s GLU 38 CO 0.33 0.42 1.13 -1.25 -0.49 0.00 0.00 175.26 175.40 2d90 s PRO 39 N -1.82 3.31 -0.56 0.39 0.04 -1.26 -3.07 135.00 132.04 2d90 s PRO 39 Ca 0.42 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2d90 s PRO 39 Cb -0.18 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2d90 s PRO 39 CO 0.22 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.80 2d90 n GLY 40 N 0.09 0.37 3.92 0.56 0.00 -1.26 -4.88 105.19 103.99 2d90 n GLY 40 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.54 6.40 0.58 1.61 1.04 -1.17 -4.88 113.70 115.74 2d90 s SER 41 Ca 0.00 0.55 0.32 0.00 0.48 0.00 0.00 55.95 57.30 2d90 s SER 41 Cb 0.00 -2.07 1.39 0.00 0.10 0.00 0.00 66.02 65.44 2d90 s SER 41 CO 0.00 -0.14 1.73 -0.65 0.98 0.00 0.00 173.24 175.16 2d90 h PRO 42 N 1.73 0.00 0.04 4.02 0.11 -1.82 0.32 132.00 136.40 2d90 h PRO 42 Ca -0.48 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.38 2d90 h PRO 42 Cb 1.19 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.33 2d90 h PRO 42 CO 0.66 0.00 -1.00 0.00 -0.21 0.00 0.00 178.00 177.45 2d90 h ALA 43 N 1.23 0.06 -0.15 -0.75 0.00 -1.38 -2.56 119.26 115.72 2d90 h ALA 43 Ca 0.41 -0.69 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 2d90 h ALA 43 Cb 1.99 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.85 2d90 h ALA 43 CO -0.00 0.60 -0.43 1.49 0.00 0.00 0.00 179.25 180.91 2d90 h GLU 44 N 0.22 0.55 -0.11 0.00 4.22 -0.64 -2.96 114.58 115.85 2d90 h GLU 44 Ca -0.14 -0.39 -0.05 0.00 0.08 0.00 0.00 59.36 58.86 2d90 h GLU 44 Cb 1.68 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.99 2d90 h GLU 44 CO 0.19 1.01 -0.15 0.00 -2.18 0.00 0.00 179.01 177.89 2d90 h ALA 45 N 0.53 1.55 0.00 2.92 0.00 -1.10 -2.20 119.26 120.96 2d90 h ALA 45 Ca -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2d90 h ALA 45 Cb 1.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2d90 h ALA 45 CO 0.09 0.32 -0.09 0.00 0.00 0.00 0.00 179.25 179.58 2d90 h ALA 46 N 1.69 1.85 0.00 0.00 0.00 -1.42 -3.46 119.26 117.93 2d90 h ALA 46 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2d90 h ALA 46 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2d90 h ALA 46 CO 0.02 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2d90 n GLY 47 N -1.29 1.38 3.23 0.00 0.00 -0.83 -4.71 105.19 102.98 2d90 n GLY 47 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.86 -3.65 0.99 4.77 -1.12 -5.06 117.00 112.06 2d90 n LEU 48 Ca 0.00 -0.64 -0.09 0.00 -0.03 0.00 0.00 56.01 55.25 2d90 n LEU 48 Cb 0.00 -1.01 -0.08 0.00 -2.33 0.00 0.00 43.42 40.00 2d90 n LEU 48 CO 0.00 -4.12 0.30 -0.54 -1.33 0.00 0.00 177.39 171.70 2d90 s LYS 49 N -4.61 0.67 0.46 3.23 1.02 -1.26 -4.95 119.74 114.29 2d90 s LYS 49 Ca 0.62 1.07 -0.23 0.00 0.02 0.00 0.00 55.97 57.46 2d90 s LYS 49 Cb -0.14 0.17 -0.10 0.00 -0.52 0.00 0.00 37.83 37.24 2d90 s LYS 49 CO 0.55 -0.14 0.95 0.09 -0.92 0.00 0.00 175.35 175.88 2d90 n ASN 50 N 3.93 0.93 -1.25 2.83 4.13 -1.26 -2.41 115.26 122.16 2d90 n ASN 50 Ca -0.19 0.97 -0.10 0.00 1.68 0.00 0.00 54.58 56.95 2d90 n ASN 50 Cb 0.57 -1.34 0.00 0.00 -1.54 0.00 0.00 39.78 37.48 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 0.35 -3.37 -4.70 6.41 4.13 -0.19 -4.99 115.26 112.90 2d90 n ASN 51 Ca 0.10 -0.06 -0.39 0.00 1.68 0.00 0.00 54.58 55.91 2d90 n ASN 51 Cb 0.41 -2.49 -0.06 0.00 -1.54 0.00 0.00 39.78 36.10 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 -2.70 6.71 -0.41 6.41 1.11 -1.01 -4.65 116.67 122.12 2d90 s ASP 52 Ca 0.06 0.85 -0.18 0.00 0.18 0.00 0.00 52.55 53.46 2d90 s ASP 52 Cb -0.03 -2.32 0.02 0.00 1.07 0.00 0.00 42.92 41.66 2d90 s ASP 52 CO 0.07 -0.09 0.48 -0.22 1.18 0.00 0.00 175.17 176.59 2d90 s LEU 53 N 1.04 4.72 -0.18 1.23 2.96 -1.26 -0.98 118.68 126.22 2d90 s LEU 53 Ca 0.28 -0.52 -0.20 0.00 -0.22 0.00 0.00 54.13 53.46 2d90 s LEU 53 Cb -0.16 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 2d90 s LEU 53 CO 0.11 -0.60 0.60 -0.69 -1.32 0.00 0.00 176.35 174.46 2d90 s VAL 54 N 2.29 5.05 -0.17 1.68 1.01 0.84 -2.43 120.40 128.68 2d90 s VAL 54 Ca 0.15 1.15 0.14 0.00 0.00 0.00 0.00 61.98 63.42 2d90 s VAL 54 Cb -0.16 -3.92 -0.21 0.00 0.00 0.00 0.00 36.38 32.09 2d90 s VAL 54 CO 0.15 0.15 0.04 1.33 0.00 0.00 0.00 175.10 176.77 2d90 n VAL 55 N 4.49 1.18 -3.99 2.92 0.24 -0.14 -1.98 118.33 121.05 2d90 n VAL 55 Ca -0.02 -0.71 -0.10 0.00 -2.04 0.00 0.00 64.34 61.47 2d90 n VAL 55 Cb 0.50 -0.60 -0.12 0.00 -1.47 0.00 0.00 33.84 32.16 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 -2.41 0.21 -0.05 2.33 0.00 -1.21 -0.30 121.76 120.33 2d90 s ALA 56 Ca -0.10 -0.55 -0.00 0.00 0.00 0.00 0.00 51.96 51.31 2d90 s ALA 56 Cb 0.05 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.30 2d90 s ALA 56 CO 0.68 -0.10 -0.01 0.08 0.00 0.00 0.00 175.76 176.41 2d90 s VAL 57 N -1.24 0.33 -1.50 0.00 1.01 0.38 -0.68 120.40 118.71 2d90 s VAL 57 Ca -0.12 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 2d90 s VAL 57 Cb -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2d90 s VAL 57 CO -0.01 0.21 0.01 0.59 0.00 0.00 0.00 175.10 175.91 2d90 n ASN 58 N 4.60 -5.14 -0.68 3.32 4.13 0.97 -2.19 115.26 120.28 2d90 n ASN 58 Ca -0.17 -0.02 -0.04 0.00 1.68 0.00 0.00 54.58 56.03 2d90 n ASN 58 Cb 0.50 -4.22 0.00 0.00 -1.54 0.00 0.00 39.78 34.53 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 -1.02 0.34 2.95 7.41 0.00 -1.26 -4.97 105.19 108.63 2d90 n GLY 59 Ca -0.21 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 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 -4.53 0.27 -0.26 1.61 -0.14 -0.93 -5.11 119.74 110.64 2d90 s LYS 60 Ca 0.04 -0.32 -0.29 0.00 -1.36 0.00 0.00 55.97 54.04 2d90 s LYS 60 Cb -0.02 -0.12 -0.02 0.00 -1.68 0.00 0.00 37.83 36.00 2d90 s LYS 60 CO 0.04 0.02 1.52 -1.54 -0.76 0.00 0.00 175.35 174.64 2d90 s SER 61 N -0.65 6.43 -0.01 2.83 1.04 -1.26 -0.47 113.70 121.61 2d90 s SER 61 Ca -0.05 1.42 0.07 0.00 0.48 0.00 0.00 55.95 57.88 2d90 s SER 61 Cb -0.05 -2.53 -0.11 0.00 0.10 0.00 0.00 66.02 63.43 2d90 s SER 61 CO -0.00 -1.25 0.19 1.33 0.98 0.00 0.00 173.24 174.49 2d90 n VAL 62 N 6.47 0.00 0.09 5.02 0.24 -0.13 -4.52 118.33 125.50 2d90 n VAL 62 Ca 0.18 -0.20 0.05 0.00 -2.04 0.00 0.00 64.34 62.33 2d90 n VAL 62 Cb 0.46 0.48 0.29 0.00 -1.47 0.00 0.00 33.84 33.60 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 -1.62 0.07 -0.00 7.34 0.00 0.59 0.03 120.64 127.04 2d90 n GLU 63 Ca -0.01 0.55 0.11 0.00 0.00 0.00 0.00 57.16 57.81 2d90 n GLU 63 Cb 0.17 -1.76 -0.13 0.00 0.00 0.00 0.00 31.44 29.72 2d90 n GLU 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2d90 n ALA 64 N -1.62 3.71 -1.96 -1.84 0.00 -1.26 -2.89 120.51 114.65 2d90 n ALA 64 Ca -0.01 -0.54 -0.27 0.00 0.00 0.00 0.00 53.44 52.62 2d90 n ALA 64 Cb 0.05 -0.78 0.16 0.00 0.00 0.00 0.00 19.45 18.89 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 -3.82 2.83 0.50 0.00 1.43 0.10 -5.08 118.68 114.64 2d90 s LEU 65 Ca -0.00 -0.07 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 2d90 s LEU 65 Cb 0.15 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.37 2d90 s LEU 65 CO 0.88 -2.47 0.44 1.51 0.23 0.00 0.00 176.35 176.94 2d90 s ASP 66 N -4.87 4.82 0.20 2.29 -4.77 -1.26 -4.77 116.67 108.30 2d90 s ASP 66 Ca 0.72 -1.02 -0.14 0.00 -3.30 0.00 0.00 52.55 48.81 2d90 s ASP 66 Cb -0.03 0.05 0.23 0.00 -1.09 0.00 0.00 42.92 42.07 2d90 s ASP 66 CO 0.50 -0.97 1.31 1.57 0.70 0.00 0.00 175.17 178.28 2d90 n HIS 67 N -1.74 0.06 0.18 2.11 -0.00 -1.26 -0.39 115.22 114.19 2d90 n HIS 67 Ca 0.02 1.04 -0.14 0.00 -0.00 0.00 0.00 57.72 58.65 2d90 n HIS 67 Cb 0.63 -0.84 -0.08 0.00 -0.00 0.00 0.00 29.99 29.70 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 -0.39 -0.49 0.26 5.19 -1.97 -1.06 116.42 117.96 2d90 h ASP 68 Ca 0.31 -0.13 0.08 0.00 -0.62 0.00 0.00 57.03 56.67 2d90 h ASP 68 Cb 0.52 0.10 -0.10 0.00 0.18 0.00 0.00 39.33 40.03 2d90 h ASP 68 CO -0.84 -0.08 -0.45 1.23 -3.12 0.00 0.00 179.24 175.98 2d90 h GLY 69 N -0.71 -0.57 0.97 2.75 0.00 -1.11 0.74 103.07 105.13 2d90 h GLY 69 Ca -0.05 0.58 -0.02 0.00 0.00 0.00 0.00 47.33 47.84 2d90 h GLY 69 CO 0.08 -0.16 -0.21 -2.08 0.00 0.00 0.00 176.54 174.17 2d90 h VAL 70 N -0.29 0.57 -0.25 4.60 2.07 -0.77 -2.25 116.25 119.95 2d90 h VAL 70 Ca 0.15 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.67 2d90 h VAL 70 Cb 0.57 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2d90 h VAL 70 CO -0.63 0.01 0.26 0.58 0.02 0.00 0.00 177.57 177.81 2d90 h VAL 71 N -0.62 0.48 -0.17 2.57 2.07 -0.64 -1.37 116.25 118.56 2d90 h VAL 71 Ca -0.06 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 2d90 h VAL 71 Cb 0.47 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2d90 h VAL 71 CO 0.10 0.00 -0.05 -0.08 0.02 0.00 0.00 177.57 177.56 2d90 h GLU 72 N 0.00 0.33 -0.51 1.57 4.57 0.11 -3.05 114.58 117.60 2d90 h GLU 72 Ca 0.12 -0.13 0.10 0.00 -1.18 0.00 0.00 59.36 58.27 2d90 h GLU 72 Cb 0.63 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 29.10 2d90 h GLU 72 CO -0.00 0.61 -0.21 0.52 -1.18 0.00 0.00 179.01 178.75 2d90 h MET 73 N 0.04 -0.09 -0.69 1.92 2.86 -0.98 0.25 114.93 118.23 2d90 h MET 73 Ca 0.04 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.79 2d90 h MET 73 Cb 0.49 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 2d90 h MET 73 CO 0.02 -0.06 0.46 0.82 1.06 0.00 0.00 176.91 179.20 2d90 h ILE 74 N -0.10 0.91 0.00 -1.22 5.03 -1.56 0.99 117.51 121.56 2d90 h ILE 74 Ca 0.24 -0.19 -0.08 0.00 -0.12 0.00 0.00 64.86 64.71 2d90 h ILE 74 Cb 0.47 0.32 -0.01 0.00 -3.03 0.00 0.00 36.82 34.57 2d90 h ILE 74 CO -0.57 0.10 -0.37 0.03 -0.68 0.00 0.00 178.15 176.65 2d90 h ARG 75 N 0.55 0.00 0.06 2.37 3.08 -0.47 -3.10 114.38 116.86 2d90 h ARG 75 Ca 0.32 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.10 2d90 h ARG 75 Cb 0.51 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.58 2d90 h ARG 75 CO -0.10 0.37 -1.10 0.87 -1.07 0.00 0.00 179.97 178.93 2d90 h LYS 76 N 0.00 0.52 -0.70 0.04 1.57 0.65 -3.22 116.57 115.43 2d90 h LYS 76 Ca -0.00 -0.64 0.20 0.00 -1.87 0.00 0.00 60.65 58.34 2d90 h LYS 76 Cb 0.89 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 2d90 h LYS 76 CO 0.05 1.25 0.71 0.78 -0.57 0.00 0.00 179.45 181.67 2d90 h GLY 77 N 0.82 0.00 0.00 3.86 0.00 -1.24 -3.46 103.07 103.05 2d90 h GLY 77 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2d90 h GLY 77 CO 0.20 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.35 2d90 n GLY 78 N -1.59 1.72 0.08 4.60 0.00 -1.22 -4.09 105.19 104.69 2d90 n GLY 78 Ca 0.14 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 4.91 1.88 -4.77 1.61 8.00 -1.26 -4.87 116.55 122.04 2d90 n ASP 79 Ca 0.00 0.47 -0.27 0.00 0.71 0.00 0.00 54.79 55.70 2d90 n ASP 79 Cb 0.00 -0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 40.23 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 -2.58 2.82 0.04 -1.24 -2.07 -1.26 -0.82 119.66 114.54 2d90 s GLN 80 Ca -0.23 -0.87 -0.14 0.00 -1.82 0.00 0.00 55.36 52.31 2d90 s GLN 80 Cb 0.03 -2.62 0.02 0.00 -1.09 0.00 0.00 33.01 29.36 2d90 s GLN 80 CO 0.34 0.50 0.30 -0.08 -1.32 0.00 0.00 175.29 175.03 2d90 s THR 81 N -1.66 0.08 -0.15 3.63 -1.32 -0.73 -4.64 115.64 110.84 2d90 s THR 81 Ca 0.30 -0.66 -0.05 0.00 -1.21 0.00 0.00 61.69 60.07 2d90 s THR 81 Cb -0.10 -0.90 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 2d90 s THR 81 CO 0.22 -0.36 0.03 -0.89 -2.21 0.00 0.00 174.62 171.41 2d90 s THR 82 N -2.42 4.55 -0.12 5.08 2.01 -1.26 -2.28 115.64 121.21 2d90 s THR 82 Ca -0.06 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 61.83 2d90 s THR 82 Cb -0.01 -3.01 -0.00 0.00 0.01 0.00 0.00 72.50 69.49 2d90 s THR 82 CO -0.02 0.51 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.46 2d90 s LEU 83 N 0.01 2.32 -0.42 4.42 1.43 0.85 -0.02 118.68 127.27 2d90 s LEU 83 Ca 0.04 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2d90 s LEU 83 Cb -0.12 -1.49 0.11 0.00 0.03 0.00 0.00 46.19 44.71 2d90 s LEU 83 CO 0.01 0.14 0.25 -0.22 0.23 0.00 0.00 176.35 176.76 2d90 s LEU 84 N 0.46 5.32 0.29 1.79 2.96 0.14 0.29 118.68 129.94 2d90 s LEU 84 Ca -0.14 -1.89 0.09 0.00 -0.22 0.00 0.00 54.13 51.97 2d90 s LEU 84 Cb -0.17 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2d90 s LEU 84 CO 0.06 -0.58 0.02 0.68 -1.32 0.00 0.00 176.35 175.21 2d90 s VAL 85 N 1.25 3.24 0.12 1.68 -7.23 -1.00 -0.96 120.40 117.50 2d90 s VAL 85 Ca 0.06 -1.89 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 2d90 s VAL 85 Cb -0.24 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 2d90 s VAL 85 CO -0.02 -0.32 0.11 -0.76 -0.31 0.00 0.00 175.10 173.80 2d90 s LEU 86 N -3.71 3.81 0.01 1.32 1.02 -1.02 0.23 118.68 120.35 2d90 s LEU 86 Ca 0.33 -0.06 -0.04 0.00 0.02 0.00 0.00 54.13 54.38 2d90 s LEU 86 Cb -0.05 -2.46 -0.01 0.00 0.02 0.00 0.00 46.19 43.69 2d90 s LEU 86 CO 0.20 0.12 -0.07 0.47 0.02 0.00 0.00 176.35 177.09 2d90 n ASP 87 N 0.07 0.93 -0.32 2.29 9.92 -1.26 -4.31 116.55 123.88 2d90 n ASP 87 Ca -0.08 0.13 0.01 0.00 -0.53 0.00 0.00 54.79 54.32 2d90 n ASP 87 Cb 0.53 -0.36 0.05 0.00 -0.64 0.00 0.00 41.12 40.71 2d90 n ASP 87 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2d90 n LYS 88 N -3.38 -0.17 -3.41 -1.24 3.00 -1.26 -1.94 118.16 109.77 2d90 n LYS 88 Ca -0.03 1.29 -0.27 0.00 -0.00 0.00 0.00 58.31 59.30 2d90 n LYS 88 Cb 0.10 -1.91 -0.08 0.00 0.00 0.00 0.00 35.03 33.14 2d90 n LYS 88 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2d90 n GLU 89 N -5.26 2.37 -0.09 1.64 0.00 -1.26 -4.81 120.64 113.23 2d90 n GLU 89 Ca 0.10 -4.55 -0.13 0.00 0.00 0.00 0.00 57.16 52.57 2d90 n GLU 89 Cb 0.35 -2.17 -0.08 0.00 0.00 0.00 0.00 31.44 29.54 2d90 n GLU 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2d90 n ALA 90 N 0.91 1.61 -2.89 -1.84 0.00 -0.82 -4.84 120.51 112.64 2d90 n ALA 90 Ca 0.29 -0.78 -0.43 0.00 0.00 0.00 0.00 53.44 52.51 2d90 n ALA 90 Cb 0.42 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.37 3.36 -0.47 0.00 0.41 -1.26 -4.71 118.70 113.66 2d90 s GLU 91 Ca -0.25 -1.32 0.03 0.00 -0.41 0.00 0.00 54.97 53.02 2d90 s GLU 91 Cb 0.07 -4.61 0.15 0.00 -1.78 0.00 0.00 34.13 27.95 2d90 s GLU 91 CO 0.42 -1.80 0.30 0.45 -0.49 0.00 0.00 175.26 174.14 2d90 s SER 92 N 3.71 3.33 -0.15 -0.19 0.15 -1.26 -5.10 113.70 114.19 2d90 s SER 92 Ca 0.28 -2.91 -0.07 0.00 0.70 0.00 0.00 55.95 53.95 2d90 s SER 92 Cb -0.11 -0.97 -0.04 0.00 -1.71 0.00 0.00 66.02 63.20 2d90 s SER 92 CO -0.00 -0.22 0.10 0.27 1.20 0.00 0.00 173.24 174.59 2d90 s ILE 93 N 0.02 5.15 0.04 6.45 -5.25 -1.26 -5.01 121.20 121.34 2d90 s ILE 93 Ca 0.22 0.08 -0.33 0.00 -0.99 0.00 0.00 60.65 59.64 2d90 s ILE 93 Cb -0.15 -3.27 -0.11 0.00 2.95 0.00 0.00 42.46 41.88 2d90 s ILE 93 CO -0.07 0.54 1.83 0.00 -1.79 0.00 0.00 174.94 175.45 2d90 n TYR 94 N 2.71 2.44 -2.57 1.37 0.18 -1.26 -4.98 117.16 115.05 2d90 n TYR 94 Ca -0.18 -0.06 -0.22 0.00 1.88 0.00 0.00 57.90 59.31 2d90 n TYR 94 Cb 0.53 -2.69 0.12 0.00 -0.38 0.00 0.00 39.34 36.92 2d90 n TYR 94 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 2d90 n SER 95 N 5.94 1.24 -1.80 9.48 7.64 -1.26 -5.03 113.62 129.83 2d90 n SER 95 Ca 0.20 -2.06 -0.20 0.00 1.01 0.00 0.00 58.87 57.82 2d90 n SER 95 Cb 0.33 -0.63 0.06 0.00 -1.01 0.00 0.00 64.21 62.96 2d90 n SER 95 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2d90 n LEU 96 N 0.00 4.70 -4.71 -3.43 4.32 -1.26 -5.06 117.00 111.57 2d90 n LEU 96 Ca 0.16 -4.58 -0.63 0.00 -0.02 0.00 0.00 56.01 50.94 2d90 n LEU 96 Cb 0.56 -0.40 -0.09 0.00 -1.62 0.00 0.00 43.42 41.87 2d90 n LEU 96 CO 0.38 1.96 1.26 -0.24 -1.22 0.00 0.00 177.39 179.53 2d90 n SER 97 N -0.79 1.73 0.00 -1.43 2.88 -1.26 -4.62 113.62 110.13 2d90 n SER 97 Ca 0.41 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 59.06 2d90 n SER 97 Cb 0.92 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2d90 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d90 n GLY 98 N 4.27 2.69 0.21 0.46 0.00 -1.26 -4.87 105.19 106.69 2d90 n GLY 98 Ca 0.30 -1.64 0.07 0.00 0.00 0.00 0.00 46.02 44.74 2d90 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d90 h PRO 99 N 0.00 0.00 -0.73 1.61 0.13 -2.06 -3.31 132.00 127.64 2d90 h PRO 99 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 2d90 h PRO 99 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 2d90 h PRO 99 CO 0.00 0.31 -0.42 -1.13 -0.23 0.00 0.00 178.00 176.53 2d90 n SER 100 N -3.65 -0.75 -4.64 1.44 3.41 -1.26 -3.88 113.62 104.30 2d90 n SER 100 Ca -0.01 1.29 -0.43 0.00 -0.26 0.00 0.00 58.87 59.46 2d90 n SER 100 Cb 0.43 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 2d90 n SER 100 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d90 s SER 101 N -5.36 6.66 0.00 4.04 0.15 -1.25 -5.24 113.70 112.71 2d90 s SER 101 Ca -0.09 1.39 0.00 0.00 0.70 0.00 0.00 55.95 57.95 2d90 s SER 101 Cb 0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2d90 s SER 101 CO 0.45 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 174.45