#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 5.70 0.09 1.61 0.15 -1.26 -5.05 113.70 114.94 2d90 s SER 2 Ca 0.00 2.32 0.07 0.00 0.70 0.00 0.00 55.95 59.04 2d90 s SER 2 Cb 0.00 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 2d90 s SER 2 CO 0.00 -1.24 -0.19 -0.44 1.20 0.00 0.00 173.24 172.57 2d90 s SER 3 N -1.53 2.31 0.37 5.45 0.01 -1.26 -5.13 113.70 113.92 2d90 s SER 3 Ca 0.71 -0.66 -0.26 0.00 1.31 0.00 0.00 55.95 57.05 2d90 s SER 3 Cb -0.28 -0.12 -0.09 0.00 0.21 0.00 0.00 66.02 65.74 2d90 s SER 3 CO 0.32 0.03 1.16 -0.83 0.41 0.00 0.00 173.24 174.33 2d90 s GLY 4 N -1.82 2.91 0.05 3.44 0.00 -1.26 -4.94 107.32 105.69 2d90 s GLY 4 Ca 0.04 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.72 2d90 s GLY 4 CO 0.04 1.50 0.00 1.44 0.00 0.00 0.00 173.10 176.07 2d90 n SER 5 N 0.36 0.16 -4.50 1.64 7.64 -1.26 -5.02 113.62 112.64 2d90 n SER 5 Ca 0.03 0.07 -0.46 0.00 1.01 0.00 0.00 58.87 59.52 2d90 n SER 5 Cb 0.46 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.59 2d90 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d90 n SER 6 N -2.98 2.35 0.00 6.43 7.64 -1.26 -4.40 113.62 121.40 2d90 n SER 6 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2d90 n SER 6 Cb 0.23 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 2d90 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d90 n GLY 7 N 6.27 1.54 3.89 0.23 0.00 -1.26 -4.95 105.19 110.91 2d90 n GLY 7 Ca 0.39 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.90 2.72 -0.08 1.61 1.70 0.17 -4.86 118.95 118.31 2d90 s ARG 8 Ca 0.00 0.35 0.01 0.00 -0.47 0.00 0.00 55.73 55.62 2d90 s ARG 8 Cb 0.00 -2.04 -0.03 0.00 -0.57 0.00 0.00 34.95 32.32 2d90 s ARG 8 CO 0.00 -1.08 -0.10 0.08 -1.08 0.00 0.00 175.30 173.11 2d90 s VAL 9 N -3.35 3.37 0.15 4.99 1.01 -1.26 -2.51 120.40 122.80 2d90 s VAL 9 Ca 0.58 -0.59 0.11 0.00 0.00 0.00 0.00 61.98 62.08 2d90 s VAL 9 Cb -0.11 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2d90 s VAL 9 CO 0.51 0.57 -0.25 -0.69 0.00 0.00 0.00 175.10 175.24 2d90 s VAL 10 N -0.42 2.21 -0.05 2.92 1.01 0.70 -4.96 120.40 121.81 2d90 s VAL 10 Ca 0.05 -1.85 -0.02 0.00 0.00 0.00 0.00 61.98 60.16 2d90 s VAL 10 Cb -0.12 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.30 2d90 s VAL 10 CO 0.02 -0.02 0.09 -0.69 0.00 0.00 0.00 175.10 174.50 2d90 s VAL 11 N -1.35 -0.15 0.22 2.92 1.01 -1.26 -0.67 120.40 121.12 2d90 s VAL 11 Ca 0.16 0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.59 2d90 s VAL 11 Cb -0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 2d90 s VAL 11 CO 0.07 0.16 -0.12 -0.63 0.00 0.00 0.00 175.10 174.59 2d90 s ILE 12 N 2.08 1.63 -0.24 2.22 1.01 -1.05 -4.64 121.20 122.21 2d90 s ILE 12 Ca 0.03 -2.17 -0.03 0.00 0.00 0.00 0.00 60.65 58.47 2d90 s ILE 12 Cb -0.12 -2.13 0.10 0.00 0.01 0.00 0.00 42.46 40.32 2d90 s ILE 12 CO -0.04 -0.53 0.19 -0.54 0.00 0.00 0.00 174.94 174.02 2d90 s LYS 13 N -3.68 0.20 0.24 2.79 1.02 -1.26 -1.98 119.74 117.07 2d90 s LYS 13 Ca 0.24 -0.11 -0.18 0.00 0.02 0.00 0.00 55.97 55.94 2d90 s LYS 13 Cb 0.01 -1.17 -0.12 0.00 -0.52 0.00 0.00 37.83 36.03 2d90 s LYS 13 CO 0.07 -0.84 0.20 1.17 -0.92 0.00 0.00 175.35 175.03 2d90 n LYS 14 N 5.29 0.00 0.07 1.68 4.81 0.27 -4.84 118.16 125.44 2d90 n LYS 14 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 2d90 n LYS 14 Cb 0.47 -0.74 0.00 0.00 0.02 0.00 0.00 35.03 34.78 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 1.63 -0.12 2.80 3.14 0.00 -1.25 -4.94 105.19 106.45 2d90 n GLY 15 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.53 3.94 -1.33 1.61 0.01 -1.26 -4.87 113.70 106.26 2d90 s SER 16 Ca 0.00 -3.13 -0.08 0.00 1.31 0.00 0.00 55.95 54.05 2d90 s SER 16 Cb 0.00 -1.31 0.08 0.00 0.21 0.00 0.00 66.02 65.00 2d90 s SER 16 CO 0.00 -0.19 0.20 -3.20 0.41 0.00 0.00 173.24 170.46 2d90 n ASN 17 N 2.90 -0.18 0.00 2.44 5.15 -1.26 -4.81 115.26 119.50 2d90 n ASN 17 Ca 0.13 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.11 2d90 n ASN 17 Cb 0.35 -1.25 0.00 0.00 -0.53 0.00 0.00 39.78 38.35 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 -1.69 1.85 0.09 8.20 0.00 -1.26 -5.06 105.19 107.33 2d90 n GLY 18 Ca -0.11 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.09 0.00 1.61 -1.99 -1.95 -3.31 116.97 111.24 2d90 h TYR 19 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2d90 h TYR 19 Cb 0.00 0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.76 2d90 h TYR 19 CO 0.00 0.45 0.00 0.41 -0.00 0.00 0.00 178.16 179.02 2d90 n GLY 20 N 0.60 1.09 3.72 3.88 0.00 -1.26 -2.72 105.19 110.50 2d90 n GLY 20 Ca -0.08 0.00 -0.31 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 -0.58 3.10 0.45 1.61 -0.71 -1.26 -2.07 117.98 118.51 2d90 s PHE 21 Ca 0.00 0.06 0.06 0.00 -1.04 0.00 0.00 56.93 56.01 2d90 s PHE 21 Cb 0.00 -1.62 -0.04 0.00 -1.21 0.00 0.00 43.02 40.15 2d90 s PHE 21 CO 0.00 0.49 0.13 0.71 -1.34 0.00 0.00 175.22 175.21 2d90 s TYR 22 N -1.26 2.32 0.07 3.49 1.51 -1.16 -5.00 117.35 117.33 2d90 s TYR 22 Ca 0.25 -0.71 0.04 0.00 -1.01 0.00 0.00 57.07 55.63 2d90 s TYR 22 Cb -0.12 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 2d90 s TYR 22 CO 0.17 0.18 -0.11 -0.51 -1.11 0.00 0.00 175.55 174.16 2d90 s LEU 23 N -3.90 2.32 -0.12 -1.29 1.43 -1.26 -3.44 118.68 112.42 2d90 s LEU 23 Ca 0.32 -0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 2d90 s LEU 23 Cb 0.04 -0.34 0.04 0.00 0.03 0.00 0.00 46.19 45.96 2d90 s LEU 23 CO 0.17 -0.18 0.39 -0.60 0.23 0.00 0.00 176.35 176.36 2d90 s ARG 24 N -2.08 0.51 -0.49 1.70 3.52 -0.54 -4.95 118.95 116.62 2d90 s ARG 24 Ca -0.01 0.42 -0.26 0.00 -0.13 0.00 0.00 55.73 55.74 2d90 s ARG 24 Cb -0.07 0.24 -0.06 0.00 -1.56 0.00 0.00 34.95 33.50 2d90 s ARG 24 CO 0.01 -0.08 2.34 0.00 -0.81 0.00 0.00 175.30 176.76 2d90 s ALA 25 N -0.08 1.75 1.06 6.12 0.00 -1.26 -1.72 121.76 127.63 2d90 s ALA 25 Ca -0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.87 2d90 s ALA 25 Cb -0.03 -4.33 0.08 0.00 0.00 0.00 0.00 23.12 18.84 2d90 s ALA 25 CO 0.01 -4.31 0.31 0.41 0.00 0.00 0.00 175.76 172.17 2d90 n GLY 26 N 5.96 -2.45 0.14 0.00 0.00 -1.26 -4.94 105.19 102.64 2d90 n GLY 26 Ca 0.35 -1.47 -0.01 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.38 -1.11 -0.48 1.61 -0.04 -1.26 -4.81 135.00 126.52 2d90 n PRO 27 Ca 0.04 -0.07 0.39 0.00 -0.04 0.00 0.00 63.50 63.82 2d90 n PRO 27 Cb 0.16 -0.07 0.69 0.00 -0.04 0.00 0.00 33.50 34.24 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 0.08 -6.49 0.54 4.11 -1.98 -3.41 114.58 107.43 2d90 h GLU 28 Ca -0.02 -0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.80 2d90 h GLU 28 Cb 0.05 -0.02 0.11 0.00 0.50 0.00 0.00 28.75 29.39 2d90 h GLU 28 CO 0.01 0.05 0.17 0.94 0.07 0.00 0.00 179.01 180.25 2d90 n GLN 29 N -4.47 1.41 -2.43 1.06 -0.06 -1.26 -4.90 117.38 106.72 2d90 n GLN 29 Ca 0.37 0.49 -0.41 0.00 -2.00 0.00 0.00 57.00 55.45 2d90 n GLN 29 Cb 1.50 -1.89 -0.03 0.00 -4.06 0.00 0.00 30.24 25.76 2d90 n GLN 29 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2d90 s LYS 30 N -1.52 4.49 0.00 3.69 -0.14 -1.26 -4.85 119.74 120.15 2d90 s LYS 30 Ca 0.59 1.78 0.00 0.00 -1.36 0.00 0.00 55.97 56.98 2d90 s LYS 30 Cb -0.70 -3.30 0.00 0.00 -1.68 0.00 0.00 37.83 32.16 2d90 s LYS 30 CO 0.60 -0.12 0.00 0.41 -0.76 0.00 0.00 175.35 175.48 2d90 n GLY 31 N 2.61 2.92 3.93 -3.33 0.00 -1.24 -4.69 105.19 105.38 2d90 n GLY 31 Ca 0.06 -1.97 -0.27 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.93 3.42 -0.15 1.61 -1.52 -0.46 -4.14 119.66 115.48 2d90 s GLN 32 Ca 0.00 -0.58 -0.07 0.00 -1.95 0.00 0.00 55.36 52.76 2d90 s GLN 32 Cb 0.00 -2.97 -0.04 0.00 -0.22 0.00 0.00 33.01 29.78 2d90 s GLN 32 CO 0.00 0.54 0.11 0.42 -0.25 0.00 0.00 175.29 176.10 2d90 s ILE 33 N -1.69 5.21 0.21 1.08 1.01 -0.70 -0.55 121.20 125.77 2d90 s ILE 33 Ca 0.34 0.10 -0.10 0.00 0.00 0.00 0.00 60.65 61.00 2d90 s ILE 33 Cb -0.11 -3.31 -0.07 0.00 0.01 0.00 0.00 42.46 38.98 2d90 s ILE 33 CO 0.28 0.54 0.53 -0.63 0.00 0.00 0.00 174.94 175.66 2d90 s ILE 34 N -0.36 4.95 0.05 2.92 1.01 -0.25 -1.47 121.20 128.06 2d90 s ILE 34 Ca 0.11 0.46 -0.28 0.00 0.00 0.00 0.00 60.65 60.93 2d90 s ILE 34 Cb -0.12 -3.63 0.10 0.00 0.01 0.00 0.00 42.46 38.82 2d90 s ILE 34 CO 0.01 -0.03 1.14 -1.59 0.00 0.00 0.00 174.94 174.47 2d90 s LYS 35 N -2.72 0.75 -1.09 2.79 -2.85 -1.22 -1.17 119.74 114.22 2d90 s LYS 35 Ca 0.46 -0.41 -0.06 0.00 -1.00 0.00 0.00 55.97 54.96 2d90 s LYS 35 Cb -0.12 0.26 0.01 0.00 -2.06 0.00 0.00 37.83 35.92 2d90 s LYS 35 CO 0.21 -0.34 0.73 -0.25 0.10 0.00 0.00 175.35 175.80 2d90 n ASP 36 N -0.47 -5.22 -4.76 0.03 8.00 -1.26 -2.97 116.55 109.89 2d90 n ASP 36 Ca -0.07 -0.33 -0.41 0.00 0.71 0.00 0.00 54.79 54.68 2d90 n ASP 36 Cb 0.62 -3.92 -0.02 0.00 -0.02 0.00 0.00 41.12 37.78 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 -3.16 2.54 0.04 0.53 1.01 -1.26 -4.67 121.20 116.22 2d90 s ILE 37 Ca 0.36 0.50 -0.10 0.00 0.00 0.00 0.00 60.65 61.41 2d90 s ILE 37 Cb -0.16 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 2d90 s ILE 37 CO 0.45 0.10 0.36 -1.61 0.00 0.00 0.00 174.94 174.24 2d90 s GLU 38 N -1.30 3.75 0.35 2.79 2.02 -0.88 -5.04 118.70 120.39 2d90 s GLU 38 Ca 0.54 0.17 -0.27 0.00 0.02 0.00 0.00 54.97 55.43 2d90 s GLU 38 Cb -0.42 -3.08 -0.09 0.00 0.10 0.00 0.00 34.13 30.64 2d90 s GLU 38 CO 0.51 0.62 1.21 -1.25 0.02 0.00 0.00 175.26 176.37 2d90 s PRO 39 N -1.63 4.27 -0.10 0.39 0.04 -1.26 -2.77 135.00 133.94 2d90 s PRO 39 Ca 0.29 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2d90 s PRO 39 Cb -0.14 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.48 2d90 s PRO 39 CO 0.16 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.43 2d90 n GLY 40 N 0.81 0.09 3.86 0.56 0.00 -1.26 -4.94 105.19 104.31 2d90 n GLY 40 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.98 6.58 0.57 1.61 1.04 -1.11 -4.83 113.70 115.58 2d90 s SER 41 Ca 0.00 1.26 0.33 0.00 0.48 0.00 0.00 55.95 58.02 2d90 s SER 41 Cb 0.00 -2.37 1.44 0.00 0.10 0.00 0.00 66.02 65.18 2d90 s SER 41 CO 0.00 -0.41 1.75 -0.65 0.98 0.00 0.00 173.24 174.91 2d90 h PRO 42 N 1.33 0.00 -0.02 4.02 0.11 -1.85 0.18 132.00 135.78 2d90 h PRO 42 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 2d90 h PRO 42 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.30 2d90 h PRO 42 CO 0.63 0.00 -0.41 0.00 -0.21 0.00 0.00 178.00 178.01 2d90 h ALA 43 N 1.28 0.08 -0.20 -0.75 0.00 -1.84 -1.61 119.26 116.22 2d90 h ALA 43 Ca 0.45 -0.50 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2d90 h ALA 43 Cb 2.06 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 2d90 h ALA 43 CO -0.00 0.22 -0.47 1.49 0.00 0.00 0.00 179.25 180.49 2d90 h GLU 44 N -0.25 0.53 0.00 0.00 4.57 -0.96 -2.80 114.58 115.68 2d90 h GLU 44 Ca -0.05 -0.29 -0.11 0.00 -1.18 0.00 0.00 59.36 57.73 2d90 h GLU 44 Cb 1.12 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 2d90 h GLU 44 CO 0.08 0.88 -0.54 0.00 -1.18 0.00 0.00 179.01 178.26 2d90 h ALA 45 N 1.07 0.85 0.00 2.92 0.00 -0.94 -3.06 119.26 120.10 2d90 h ALA 45 Ca 0.02 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2d90 h ALA 45 Cb 0.98 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2d90 h ALA 45 CO 0.09 0.67 -0.25 0.00 0.00 0.00 0.00 179.25 179.76 2d90 h ALA 46 N 1.46 1.31 0.00 0.00 0.00 -1.12 -3.46 119.26 117.45 2d90 h ALA 46 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2d90 h ALA 46 Cb 1.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 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 -0.48 0.99 3.02 0.00 0.00 -1.16 -4.67 105.19 102.89 2d90 n GLY 47 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.21 -3.65 0.99 4.77 -1.07 -5.05 117.00 111.78 2d90 n LEU 48 Ca 0.00 -0.43 -0.09 0.00 -0.03 0.00 0.00 56.01 55.46 2d90 n LEU 48 Cb 0.00 -0.78 -0.08 0.00 -2.33 0.00 0.00 43.42 40.23 2d90 n LEU 48 CO 0.00 -3.37 0.30 -0.54 -1.33 0.00 0.00 177.39 172.46 2d90 s LYS 49 N -3.60 0.67 0.38 3.23 1.02 -1.26 -4.94 119.74 115.25 2d90 s LYS 49 Ca 0.37 1.09 -0.25 0.00 0.02 0.00 0.00 55.97 57.20 2d90 s LYS 49 Cb -0.07 0.16 -0.12 0.00 -0.52 0.00 0.00 37.83 37.29 2d90 s LYS 49 CO 0.33 -0.14 0.98 0.09 -0.92 0.00 0.00 175.35 175.70 2d90 n ASN 50 N 3.97 1.14 -0.80 2.83 4.13 -1.26 -2.14 115.26 123.12 2d90 n ASN 50 Ca -0.19 1.07 -0.07 0.00 1.68 0.00 0.00 54.58 57.07 2d90 n ASN 50 Cb 0.58 -1.32 -0.00 0.00 -1.54 0.00 0.00 39.78 37.49 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 0.78 -2.75 -4.70 6.41 3.02 -0.32 -4.99 115.26 112.71 2d90 n ASN 51 Ca 0.09 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 2d90 n ASN 51 Cb 0.37 -2.02 -0.04 0.00 -0.61 0.00 0.00 39.78 37.48 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 -2.69 7.05 -0.39 6.41 1.01 -0.91 -4.76 116.67 122.38 2d90 s ASP 52 Ca 0.00 1.27 -0.17 0.00 0.71 0.00 0.00 52.55 54.36 2d90 s ASP 52 Cb 0.00 -2.46 0.01 0.00 1.01 0.00 0.00 42.92 41.48 2d90 s ASP 52 CO 0.00 -0.26 0.46 -0.22 0.21 0.00 0.00 175.17 175.36 2d90 s LEU 53 N 1.41 4.63 -0.20 1.23 2.96 -1.26 -1.09 118.68 126.37 2d90 s LEU 53 Ca 0.41 -0.42 -0.16 0.00 -0.22 0.00 0.00 54.13 53.74 2d90 s LEU 53 Cb -0.18 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 2d90 s LEU 53 CO 0.18 -0.53 0.41 -0.69 -1.32 0.00 0.00 176.35 174.39 2d90 s VAL 54 N 2.24 5.19 -0.06 1.68 1.01 0.29 -2.31 120.40 128.44 2d90 s VAL 54 Ca 0.15 0.74 0.14 0.00 0.00 0.00 0.00 61.98 63.00 2d90 s VAL 54 Cb -0.16 -3.74 -0.20 0.00 0.00 0.00 0.00 36.38 32.27 2d90 s VAL 54 CO 0.14 0.24 0.22 1.33 0.00 0.00 0.00 175.10 177.04 2d90 n VAL 55 N 4.35 0.31 -3.82 2.92 0.24 -0.95 -1.36 118.33 120.02 2d90 n VAL 55 Ca -0.08 -0.41 -0.12 0.00 -2.04 0.00 0.00 64.34 61.69 2d90 n VAL 55 Cb 0.51 -0.10 -0.11 0.00 -1.47 0.00 0.00 33.84 32.67 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 -2.77 -0.47 -0.06 2.33 0.00 -1.25 -1.91 121.76 117.64 2d90 s ALA 56 Ca -0.06 0.30 -0.00 0.00 0.00 0.00 0.00 51.96 52.20 2d90 s ALA 56 Cb 0.07 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.08 2d90 s ALA 56 CO 0.58 -0.15 -0.03 0.08 0.00 0.00 0.00 175.76 176.24 2d90 s VAL 57 N -0.57 0.53 -1.54 0.00 1.01 0.86 -1.65 120.40 119.03 2d90 s VAL 57 Ca -0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 2d90 s VAL 57 Cb -0.04 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2d90 s VAL 57 CO 0.01 0.26 0.46 0.59 0.00 0.00 0.00 175.10 176.42 2d90 n ASN 58 N 4.61 -5.92 -0.64 3.32 3.02 0.11 -1.59 115.26 118.17 2d90 n ASN 58 Ca -0.16 -0.22 -0.07 0.00 -0.03 0.00 0.00 54.58 54.10 2d90 n ASN 58 Cb 0.50 -4.78 -0.02 0.00 -0.61 0.00 0.00 39.78 34.88 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 -1.40 0.51 3.06 7.41 0.00 -1.26 -5.02 105.19 108.49 2d90 n GLY 59 Ca -0.14 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.41 1.22 -0.47 1.61 -0.14 -0.62 -5.09 119.74 112.83 2d90 s LYS 60 Ca 0.00 -0.43 -0.28 0.00 -1.36 0.00 0.00 55.97 53.91 2d90 s LYS 60 Cb 0.00 -1.12 -0.01 0.00 -1.68 0.00 0.00 37.83 35.02 2d90 s LYS 60 CO 0.00 0.19 1.74 -1.12 -0.76 0.00 0.00 175.35 175.40 2d90 s SER 61 N 0.04 5.73 -0.07 2.83 0.01 -1.26 -0.10 113.70 120.88 2d90 s SER 61 Ca -0.02 0.77 0.21 0.00 1.31 0.00 0.00 55.95 58.23 2d90 s SER 61 Cb -0.09 -2.53 -0.32 0.00 0.21 0.00 0.00 66.02 63.29 2d90 s SER 61 CO 0.01 -1.94 0.39 1.33 0.41 0.00 0.00 173.24 173.44 2d90 n VAL 62 N 7.24 0.30 0.33 3.43 0.24 -1.01 -4.29 118.33 124.57 2d90 n VAL 62 Ca 0.20 -0.58 0.12 0.00 -2.04 0.00 0.00 64.34 62.05 2d90 n VAL 62 Cb 0.49 -0.10 0.64 0.00 -1.47 0.00 0.00 33.84 33.40 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 0.13 7.34 4.11 -1.61 0.47 114.58 125.02 2d90 h GLU 63 Ca -0.12 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 58.99 2d90 h GLU 63 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2d90 h GLU 63 CO 0.01 0.00 -1.62 0.00 0.07 0.00 0.00 179.01 177.47 2d90 h ALA 64 N 1.05 0.28 -1.98 1.06 0.00 -1.86 -3.30 119.26 114.51 2d90 h ALA 64 Ca 0.01 -1.15 -0.41 0.00 0.00 0.00 0.00 54.91 53.36 2d90 h ALA 64 Cb 0.97 0.35 0.20 0.00 0.00 0.00 0.00 17.79 19.31 2d90 h ALA 64 CO -0.00 1.15 0.07 -0.51 0.00 0.00 0.00 179.25 179.96 2d90 s LEU 65 N -7.01 0.25 0.48 0.00 1.43 0.16 -5.07 118.68 108.93 2d90 s LEU 65 Ca -0.11 0.65 0.07 0.00 -1.03 0.00 0.00 54.13 53.71 2d90 s LEU 65 Cb 0.07 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 44.00 2d90 s LEU 65 CO 0.85 -4.46 0.38 -1.81 0.23 0.00 0.00 176.35 171.54 2d90 s ASP 66 N -3.75 4.76 0.08 2.29 1.11 -1.26 -4.80 116.67 115.10 2d90 s ASP 66 Ca 0.71 -1.04 -0.16 0.00 0.18 0.00 0.00 52.55 52.24 2d90 s ASP 66 Cb -0.10 -0.05 -0.04 0.00 1.07 0.00 0.00 42.92 43.80 2d90 s ASP 66 CO 0.56 -0.88 1.01 1.57 1.18 0.00 0.00 175.17 178.61 2d90 n HIS 67 N -1.64 -0.23 -0.10 4.23 -0.00 -1.26 0.60 115.22 116.82 2d90 n HIS 67 Ca 0.01 0.66 -0.06 0.00 -0.00 0.00 0.00 57.72 58.34 2d90 n HIS 67 Cb 0.63 -0.51 0.01 0.00 -0.00 0.00 0.00 29.99 30.13 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 -0.19 -0.00 0.26 3.58 -1.97 -1.70 116.42 116.39 2d90 h ASP 68 Ca 0.08 0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.63 2d90 h ASP 68 Cb 0.22 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 2d90 h ASP 68 CO -0.50 -0.06 -0.16 1.23 -2.88 0.00 0.00 179.24 176.87 2d90 h GLY 69 N 0.07 -1.32 -0.14 -0.78 0.00 -0.21 0.24 103.07 100.94 2d90 h GLY 69 Ca 0.17 0.62 0.03 0.00 0.00 0.00 0.00 47.33 48.15 2d90 h GLY 69 CO -0.31 -0.44 -0.48 -2.08 0.00 0.00 0.00 176.54 173.23 2d90 h VAL 70 N -0.20 0.00 -0.03 4.60 2.07 -0.97 0.39 116.25 122.11 2d90 h VAL 70 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2d90 h VAL 70 Cb 0.22 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 2d90 h VAL 70 CO -0.11 0.00 0.51 0.58 0.02 0.00 0.00 177.57 178.57 2d90 h VAL 71 N -0.50 0.01 0.09 2.57 2.07 -1.21 0.21 116.25 119.50 2d90 h VAL 71 Ca 0.03 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.39 2d90 h VAL 71 Cb 0.59 0.50 0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2d90 h VAL 71 CO -0.39 0.00 -0.68 -0.08 0.02 0.00 0.00 177.57 176.43 2d90 h GLU 72 N 0.00 0.30 -0.98 1.57 4.57 0.19 -3.15 114.58 117.08 2d90 h GLU 72 Ca 0.01 -0.45 0.17 0.00 -1.18 0.00 0.00 59.36 57.92 2d90 h GLU 72 Cb 1.03 0.16 -0.10 0.00 -0.16 0.00 0.00 28.75 29.68 2d90 h GLU 72 CO -0.00 1.18 0.59 0.52 -1.18 0.00 0.00 179.01 180.12 2d90 h MET 73 N -0.35 0.75 -0.49 1.92 2.86 0.16 0.14 114.93 119.93 2d90 h MET 73 Ca -0.11 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.39 2d90 h MET 73 Cb 1.49 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.96 2d90 h MET 73 CO 0.13 0.50 -0.07 0.82 1.06 0.00 0.00 176.91 179.35 2d90 h ILE 74 N 0.78 1.27 -0.25 -1.22 2.04 -1.62 -2.17 117.51 116.34 2d90 h ILE 74 Ca 0.55 -1.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.14 2d90 h ILE 74 Cb 0.81 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2d90 h ILE 74 CO -0.37 0.41 -0.25 0.03 0.00 0.00 0.00 178.15 177.97 2d90 h ARG 75 N 0.76 0.47 0.00 2.37 3.08 -1.02 -2.65 114.38 117.39 2d90 h ARG 75 Ca 0.13 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 2d90 h ARG 75 Cb 0.60 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2d90 h ARG 75 CO 0.04 0.69 -0.44 0.87 -1.07 0.00 0.00 179.97 180.06 2d90 h LYS 76 N 0.42 0.00 -0.23 0.04 1.57 -0.64 -2.97 116.57 114.76 2d90 h LYS 76 Ca 0.06 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.91 2d90 h LYS 76 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2d90 h LYS 76 CO 0.05 0.44 0.19 0.78 -0.57 0.00 0.00 179.45 180.34 2d90 h GLY 77 N 1.74 0.00 0.00 3.86 0.00 -1.01 -3.47 103.07 104.18 2d90 h GLY 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2d90 h GLY 77 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.21 2d90 n GLY 78 N -1.50 1.58 1.24 4.60 0.00 -1.12 -4.53 105.19 105.46 2d90 n GLY 78 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 2.35 0.09 -4.63 1.61 9.92 -1.26 -4.97 116.55 119.67 2d90 n ASP 79 Ca 0.00 0.03 -0.30 0.00 -0.53 0.00 0.00 54.79 53.99 2d90 n ASP 79 Cb 0.00 -0.02 -0.09 0.00 -0.64 0.00 0.00 41.12 40.37 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 -2.00 2.34 -0.05 -1.24 -2.07 -1.26 -0.57 119.66 114.82 2d90 s GLN 80 Ca 0.00 -0.92 -0.20 0.00 -1.82 0.00 0.00 55.36 52.41 2d90 s GLN 80 Cb 0.00 -2.42 0.04 0.00 -1.09 0.00 0.00 33.01 29.54 2d90 s GLN 80 CO 0.00 0.53 0.45 -0.08 -1.32 0.00 0.00 175.29 174.87 2d90 s THR 81 N -1.24 0.03 -0.17 3.63 -1.32 -0.84 -4.81 115.64 110.92 2d90 s THR 81 Ca 0.23 -0.26 -0.10 0.00 -1.21 0.00 0.00 61.69 60.35 2d90 s THR 81 Cb -0.11 -0.75 -0.05 0.00 -1.51 0.00 0.00 72.50 70.08 2d90 s THR 81 CO 0.15 -0.14 0.16 -0.89 -2.21 0.00 0.00 174.62 171.69 2d90 s THR 82 N -1.09 5.41 0.23 5.08 2.01 -1.26 -2.54 115.64 123.49 2d90 s THR 82 Ca -0.11 0.25 0.09 0.00 0.31 0.00 0.00 61.69 62.23 2d90 s THR 82 Cb -0.03 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2d90 s THR 82 CO 0.06 0.48 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.69 2d90 s LEU 83 N 0.02 3.19 -0.32 4.42 1.43 0.15 0.04 118.68 127.61 2d90 s LEU 83 Ca 0.11 -0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2d90 s LEU 83 Cb -0.12 -1.77 0.10 0.00 0.03 0.00 0.00 46.19 44.44 2d90 s LEU 83 CO 0.00 0.03 0.11 -0.22 0.23 0.00 0.00 176.35 176.51 2d90 s LEU 84 N -3.40 2.29 0.16 1.79 2.96 -0.66 -0.21 118.68 121.62 2d90 s LEU 84 Ca 0.30 -1.76 0.03 0.00 -0.22 0.00 0.00 54.13 52.48 2d90 s LEU 84 Cb -0.07 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.70 2d90 s LEU 84 CO 0.19 -0.40 0.27 0.68 -1.32 0.00 0.00 176.35 175.77 2d90 s VAL 85 N 1.47 5.17 -0.07 1.68 -7.23 -1.04 -2.24 120.40 118.13 2d90 s VAL 85 Ca 0.11 -0.79 -0.18 0.00 -1.81 0.00 0.00 61.98 59.31 2d90 s VAL 85 Cb -0.18 -3.67 -0.05 0.00 0.56 0.00 0.00 36.38 33.04 2d90 s VAL 85 CO -0.22 -0.12 0.49 -0.22 -0.31 0.00 0.00 175.10 174.72 2d90 s LEU 86 N -3.29 4.35 -0.05 1.32 1.98 -0.98 -0.66 118.68 121.35 2d90 s LEU 86 Ca 0.34 0.92 -0.06 0.00 -2.89 0.00 0.00 54.13 52.44 2d90 s LEU 86 Cb -0.11 -2.72 -0.02 0.00 0.66 0.00 0.00 46.19 44.00 2d90 s LEU 86 CO 0.28 0.09 -0.11 -0.90 -1.89 0.00 0.00 176.35 173.82 2d90 n ASP 87 N 3.09 0.64 -0.24 3.68 5.68 -1.26 -4.12 116.55 124.01 2d90 n ASP 87 Ca -0.08 0.11 -0.06 0.00 -0.50 0.00 0.00 54.79 54.25 2d90 n ASP 87 Cb 0.52 -0.53 -0.06 0.00 -1.14 0.00 0.00 41.12 39.91 2d90 n ASP 87 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2d90 n LYS 88 N -3.14 -0.25 -2.57 0.11 0.00 -1.26 -0.24 118.16 110.82 2d90 n LYS 88 Ca -0.04 0.97 -0.40 0.00 0.00 0.00 0.00 58.31 58.84 2d90 n LYS 88 Cb 0.16 -1.44 0.02 0.00 0.00 0.00 0.00 35.03 33.77 2d90 n LYS 88 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2d90 n GLU 89 N -4.46 4.91 0.03 1.64 -0.58 -1.26 -4.63 120.64 116.28 2d90 n GLU 89 Ca 0.01 -4.53 -0.20 0.00 -0.42 0.00 0.00 57.16 52.02 2d90 n GLU 89 Cb 0.15 -2.42 -0.14 0.00 -0.57 0.00 0.00 31.44 28.45 2d90 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d90 h ALA 90 N 3.94 0.38 -1.92 0.62 0.00 -0.77 -3.46 119.26 118.05 2d90 h ALA 90 Ca 0.51 -1.31 -0.60 0.00 0.00 0.00 0.00 54.91 53.50 2d90 h ALA 90 Cb 0.30 0.59 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2d90 h ALA 90 CO 1.18 1.25 1.29 0.39 0.00 0.00 0.00 179.25 183.37 2d90 n GLU 91 N -3.47 2.07 -3.17 0.00 4.71 -1.26 -4.92 120.64 114.59 2d90 n GLU 91 Ca -0.28 0.69 -0.44 0.00 -0.01 0.00 0.00 57.16 57.12 2d90 n GLU 91 Cb 1.06 -2.86 -0.06 0.00 -1.01 0.00 0.00 31.44 28.57 2d90 n GLU 91 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2d90 s SER 92 N 5.93 6.20 0.48 1.62 0.15 -1.26 -5.03 113.70 121.78 2d90 s SER 92 Ca 0.97 -1.20 -0.14 0.00 0.70 0.00 0.00 55.95 56.28 2d90 s SER 92 Cb -0.57 -2.28 -0.12 0.00 -1.71 0.00 0.00 66.02 61.34 2d90 s SER 92 CO 0.45 -0.95 -0.20 2.30 1.20 0.00 0.00 173.24 176.04 2d90 n ILE 93 N 5.53 0.00 -4.00 6.45 -6.64 -1.26 -4.99 119.36 114.44 2d90 n ILE 93 Ca -0.09 -0.40 -0.10 0.00 -1.77 0.00 0.00 62.75 60.39 2d90 n ILE 93 Cb 0.44 0.00 -0.07 0.00 -1.44 0.00 0.00 39.64 38.57 2d90 n ILE 93 CO 0.00 0.00 0.00 -0.31 -1.77 0.00 0.00 176.55 174.47 2d90 s TYR 94 N -1.62 0.50 -0.06 4.28 2.02 -1.26 -5.09 117.35 116.12 2d90 s TYR 94 Ca 0.44 -0.85 -0.06 0.00 -0.37 0.00 0.00 57.07 56.22 2d90 s TYR 94 Cb -0.36 -0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.07 2d90 s TYR 94 CO 0.56 -0.74 -0.14 0.45 -1.57 0.00 0.00 175.55 174.11 2d90 n SER 95 N -0.24 1.13 -3.46 2.29 2.88 -1.26 -5.01 113.62 109.96 2d90 n SER 95 Ca -0.05 0.18 -0.25 0.00 -1.33 0.00 0.00 58.87 57.41 2d90 n SER 95 Cb 0.63 -0.42 0.02 0.00 -0.75 0.00 0.00 64.21 63.69 2d90 n SER 95 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2d90 n LEU 96 N -3.70 -2.14 -4.76 2.46 4.32 -1.26 -4.88 117.00 107.04 2d90 n LEU 96 Ca -0.14 -0.49 -0.41 0.00 -0.02 0.00 0.00 56.01 54.95 2d90 n LEU 96 Cb 0.43 -2.47 -0.01 0.00 -1.62 0.00 0.00 43.42 39.75 2d90 n LEU 96 CO 0.05 0.28 1.21 -1.54 -1.22 0.00 0.00 177.39 176.17 2d90 n SER 97 N -2.52 3.85 0.00 -1.43 3.41 -1.26 -4.90 113.62 110.77 2d90 n SER 97 Ca -0.02 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 2d90 n SER 97 Cb 0.55 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 2d90 n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d90 n GLY 98 N 1.60 -0.11 0.00 5.00 0.00 -1.26 -4.87 105.19 105.56 2d90 n GLY 98 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 2d90 n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d90 n PRO 99 N -1.81 0.49 -1.47 1.61 -0.04 -1.26 -4.86 135.00 127.66 2d90 n PRO 99 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2d90 n PRO 99 Cb 0.00 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 2d90 n PRO 99 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2d90 n SER 100 N -0.86 -0.59 -3.95 3.54 3.41 -1.26 -5.00 113.62 108.91 2d90 n SER 100 Ca 0.09 0.95 -0.09 0.00 -0.26 0.00 0.00 58.87 59.55 2d90 n SER 100 Cb 0.04 -1.14 -0.07 0.00 -0.26 0.00 0.00 64.21 62.78 2d90 n SER 100 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d90 s SER 101 N -0.91 0.04 0.00 4.04 0.01 -1.26 -5.21 113.70 110.41 2d90 s SER 101 Ca 0.63 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2d90 s SER 101 Cb -0.62 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2d90 s SER 101 CO 0.58 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.95