#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 7.45 -3.67 1.61 3.41 -1.26 -4.91 113.62 116.26 2d90 n SER 2 Ca 0.00 -3.80 -0.12 0.00 -0.26 0.00 0.00 58.87 54.69 2d90 n SER 2 Cb 0.00 -0.95 -0.08 0.00 -0.26 0.00 0.00 64.21 62.92 2d90 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d90 s SER 3 N -1.82 -0.67 0.00 4.04 0.01 -1.26 -4.99 113.70 109.01 2d90 s SER 3 Ca 0.61 1.23 0.00 0.00 1.31 0.00 0.00 55.95 59.10 2d90 s SER 3 Cb 0.49 1.20 0.00 0.00 0.21 0.00 0.00 66.02 67.92 2d90 s SER 3 CO -0.09 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2d90 n GLY 4 N 3.22 3.70 3.62 3.44 0.00 -1.26 -5.14 105.19 112.77 2d90 n GLY 4 Ca -0.16 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 2d90 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d90 s SER 5 N 0.00 1.56 -0.80 1.61 0.01 -1.26 -5.00 113.70 109.82 2d90 s SER 5 Ca 0.00 0.88 0.02 0.00 1.31 0.00 0.00 55.95 58.16 2d90 s SER 5 Cb 0.00 -1.33 0.22 0.00 0.21 0.00 0.00 66.02 65.12 2d90 s SER 5 CO 0.00 -3.76 0.75 -1.20 0.41 0.00 0.00 173.24 169.45 2d90 n SER 6 N -4.55 3.96 0.00 2.44 7.64 -1.26 -4.95 113.62 116.90 2d90 n SER 6 Ca 0.09 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.71 2d90 n SER 6 Cb 0.58 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 1.76 1.69 3.89 0.23 0.00 -1.26 -5.03 105.19 106.47 2d90 n GLY 7 Ca 0.24 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.49 3.64 -0.17 1.61 1.70 0.78 -4.90 118.95 118.11 2d90 s ARG 8 Ca 0.00 0.39 -0.04 0.00 -0.47 0.00 0.00 55.73 55.61 2d90 s ARG 8 Cb 0.00 -2.33 -0.03 0.00 -0.57 0.00 0.00 34.95 32.03 2d90 s ARG 8 CO 0.00 -0.21 -0.03 0.08 -1.08 0.00 0.00 175.30 174.06 2d90 s VAL 9 N -2.69 3.89 0.10 4.99 1.01 -1.26 -2.67 120.40 123.77 2d90 s VAL 9 Ca 0.50 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 62.22 2d90 s VAL 9 Cb -0.10 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2d90 s VAL 9 CO 0.42 0.47 -0.22 -0.69 0.00 0.00 0.00 175.10 175.08 2d90 s VAL 10 N 0.58 2.55 -0.07 2.92 1.01 -0.13 -4.96 120.40 122.30 2d90 s VAL 10 Ca -0.02 -1.53 -0.02 0.00 0.00 0.00 0.00 61.98 60.41 2d90 s VAL 10 Cb -0.14 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.15 2d90 s VAL 10 CO 0.02 0.17 0.03 -0.69 0.00 0.00 0.00 175.10 174.63 2d90 s VAL 11 N -1.04 0.20 0.13 2.92 1.01 -1.26 -0.39 120.40 121.97 2d90 s VAL 11 Ca 0.15 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.38 2d90 s VAL 11 Cb -0.10 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 2d90 s VAL 11 CO 0.07 0.18 -0.17 -0.63 0.00 0.00 0.00 175.10 174.55 2d90 s ILE 12 N 2.04 1.59 -0.14 2.22 1.01 -1.06 -4.62 121.20 122.24 2d90 s ILE 12 Ca 0.05 -1.75 -0.02 0.00 0.00 0.00 0.00 60.65 58.93 2d90 s ILE 12 Cb -0.13 -1.64 0.04 0.00 0.01 0.00 0.00 42.46 40.75 2d90 s ILE 12 CO -0.05 -0.30 0.00 -0.54 0.00 0.00 0.00 174.94 174.05 2d90 s LYS 13 N -2.54 0.79 0.21 2.79 1.02 -1.26 -1.54 119.74 119.22 2d90 s LYS 13 Ca 0.11 -0.21 -0.21 0.00 0.02 0.00 0.00 55.97 55.68 2d90 s LYS 13 Cb -0.06 -1.60 -0.13 0.00 -0.52 0.00 0.00 37.83 35.51 2d90 s LYS 13 CO 0.05 -0.45 0.31 1.17 -0.92 0.00 0.00 175.35 175.50 2d90 n LYS 14 N 5.06 0.00 0.06 1.68 4.81 -0.12 -4.78 118.16 124.87 2d90 n LYS 14 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 2d90 n LYS 14 Cb 0.49 -0.80 0.00 0.00 0.02 0.00 0.00 35.03 34.73 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 1.69 -1.83 3.50 3.14 0.00 -0.46 -4.98 105.19 106.25 2d90 n GLY 15 Ca 0.13 0.54 -0.43 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.46 6.60 -1.24 1.61 0.15 -1.26 -4.42 113.70 113.68 2d90 s SER 16 Ca 0.00 -1.84 -0.16 0.00 0.70 0.00 0.00 55.95 54.65 2d90 s SER 16 Cb 0.00 -2.48 0.16 0.00 -1.71 0.00 0.00 66.02 61.99 2d90 s SER 16 CO 0.00 -1.25 0.39 -3.20 1.20 0.00 0.00 173.24 170.38 2d90 n ASN 17 N 7.61 -1.52 0.00 5.45 5.15 -1.26 -4.32 115.26 126.36 2d90 n ASN 17 Ca 0.29 -0.66 0.00 0.00 -0.60 0.00 0.00 54.58 53.62 2d90 n ASN 17 Cb 0.50 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.37 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 -0.86 0.49 0.19 8.20 0.00 -1.26 -4.94 105.19 107.01 2d90 n GLY 18 Ca 0.08 -1.55 -0.12 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 3.22 0.00 0.00 1.61 4.01 -1.26 -1.36 117.16 123.38 2d90 n TYR 19 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2d90 n TYR 19 Cb 0.00 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.48 2d90 n TYR 19 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2d90 n GLY 20 N 1.61 1.44 3.62 2.72 0.00 -1.26 -1.90 105.19 111.42 2d90 n GLY 20 Ca -0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.78 -0.82 0.33 1.61 -0.12 -1.26 -2.83 117.98 113.11 2d90 s PHE 21 Ca 0.00 1.93 0.07 0.00 -0.05 0.00 0.00 56.93 58.88 2d90 s PHE 21 Cb 0.00 0.32 -0.02 0.00 -0.63 0.00 0.00 43.02 42.69 2d90 s PHE 21 CO 0.00 -0.39 0.39 0.71 -0.05 0.00 0.00 175.22 175.87 2d90 s TYR 22 N 0.55 3.02 -0.02 3.49 1.51 -1.13 -4.99 117.35 119.78 2d90 s TYR 22 Ca -0.01 -0.26 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 2d90 s TYR 22 Cb -0.05 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 2d90 s TYR 22 CO -0.02 0.08 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.87 2d90 s LEU 23 N -4.09 1.96 0.30 -1.29 1.43 -1.26 -3.38 118.68 112.35 2d90 s LEU 23 Ca 0.43 -0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.34 2d90 s LEU 23 Cb -0.08 -0.68 -0.06 0.00 0.03 0.00 0.00 46.19 45.40 2d90 s LEU 23 CO 0.29 0.14 0.00 -0.13 0.23 0.00 0.00 176.35 176.88 2d90 s ARG 24 N -0.16 1.59 -0.59 1.70 3.00 -0.37 -4.93 118.95 119.18 2d90 s ARG 24 Ca 0.02 -1.84 -0.19 0.00 0.00 0.00 0.00 55.73 53.72 2d90 s ARG 24 Cb -0.07 -0.98 0.10 0.00 0.00 0.00 0.00 34.95 34.00 2d90 s ARG 24 CO 0.00 -0.08 0.73 0.00 0.00 0.00 0.00 175.30 175.94 2d90 s ALA 25 N -3.17 3.38 1.05 2.13 0.00 -1.26 -2.53 121.76 121.36 2d90 s ALA 25 Ca 0.33 -2.17 -0.16 0.00 0.00 0.00 0.00 51.96 49.96 2d90 s ALA 25 Cb 0.07 -3.55 0.22 0.00 0.00 0.00 0.00 23.12 19.85 2d90 s ALA 25 CO 0.13 -2.38 1.17 0.20 0.00 0.00 0.00 175.76 174.88 2d90 s GLY 26 N 3.60 1.63 0.00 0.00 0.00 -1.26 -4.99 107.32 106.29 2d90 s GLY 26 Ca 0.13 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.01 2d90 s GLY 26 CO 0.07 -0.10 0.00 -1.55 0.00 0.00 0.00 173.10 171.52 2d90 n PRO 27 N -4.20 0.18 -0.56 2.90 -0.04 -1.26 -4.72 135.00 127.29 2d90 n PRO 27 Ca 0.11 0.00 0.44 0.00 -0.04 0.00 0.00 63.50 64.01 2d90 n PRO 27 Cb 0.59 0.00 0.67 0.00 -0.04 0.00 0.00 33.50 34.72 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 -0.61 0.00 -1.54 0.54 1.02 -1.26 -4.19 120.64 114.60 2d90 n GLU 28 Ca 0.00 0.93 -0.38 0.00 -0.02 0.00 0.00 57.16 57.69 2d90 n GLU 28 Cb 0.00 -2.17 -0.05 0.00 -0.02 0.00 0.00 31.44 29.20 2d90 n GLU 28 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2d90 n GLN 29 N -3.57 0.94 -1.67 3.49 1.13 -1.26 -4.85 117.38 111.59 2d90 n GLN 29 Ca 0.36 0.03 -0.51 0.00 -1.94 0.00 0.00 57.00 54.95 2d90 n GLN 29 Cb 1.70 -3.13 -0.05 0.00 0.11 0.00 0.00 30.24 28.87 2d90 n GLN 29 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2d90 n LYS 30 N 8.90 1.69 0.00 -1.09 4.76 -1.26 -4.76 118.16 126.39 2d90 n LYS 30 Ca 0.41 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 56.47 2d90 n LYS 30 Cb 0.46 -2.36 0.00 0.00 -1.84 0.00 0.00 35.03 31.29 2d90 n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2d90 n GLY 31 N 3.75 3.61 3.94 0.72 0.00 -1.26 -4.65 105.19 111.30 2d90 n GLY 31 Ca 0.22 -1.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.18 2d90 n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d90 s GLN 32 N -3.25 3.48 0.08 1.61 -1.52 -0.65 -3.99 119.66 115.42 2d90 s GLN 32 Ca 0.00 -0.48 0.02 0.00 -1.95 0.00 0.00 55.36 52.96 2d90 s GLN 32 Cb 0.00 -2.90 -0.04 0.00 -0.22 0.00 0.00 33.01 29.85 2d90 s GLN 32 CO 0.00 0.45 0.11 0.42 -0.25 0.00 0.00 175.29 176.02 2d90 s ILE 33 N -1.82 4.72 0.00 1.08 1.01 -1.05 -0.05 121.20 125.09 2d90 s ILE 33 Ca 0.36 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.34 2d90 s ILE 33 Cb -0.11 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 2d90 s ILE 33 CO 0.29 0.12 0.01 -0.63 0.00 0.00 0.00 174.94 174.73 2d90 s ILE 34 N -1.42 4.20 0.09 2.92 1.01 -0.41 -1.24 121.20 126.34 2d90 s ILE 34 Ca 0.31 -0.60 -0.27 0.00 0.00 0.00 0.00 60.65 60.09 2d90 s ILE 34 Cb -0.12 -2.88 0.08 0.00 0.01 0.00 0.00 42.46 39.55 2d90 s ILE 34 CO 0.23 0.37 1.01 -1.59 0.00 0.00 0.00 174.94 174.96 2d90 s LYS 35 N -1.60 0.97 -1.17 2.79 -2.85 -1.22 -0.07 119.74 116.61 2d90 s LYS 35 Ca 0.20 -0.51 -0.06 0.00 -1.00 0.00 0.00 55.97 54.60 2d90 s LYS 35 Cb -0.12 0.35 0.01 0.00 -2.06 0.00 0.00 37.83 36.01 2d90 s LYS 35 CO 0.11 -0.44 0.81 -0.25 0.10 0.00 0.00 175.35 175.67 2d90 n ASP 36 N -0.43 -5.50 -4.77 0.03 8.00 -1.26 -2.85 116.55 109.77 2d90 n ASP 36 Ca -0.07 -0.37 -0.41 0.00 0.71 0.00 0.00 54.79 54.65 2d90 n ASP 36 Cb 0.61 -4.19 -0.01 0.00 -0.02 0.00 0.00 41.12 37.51 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 -3.19 2.21 0.09 0.53 1.01 -1.26 -4.65 121.20 115.94 2d90 s ILE 37 Ca 0.40 0.20 -0.17 0.00 0.00 0.00 0.00 60.65 61.08 2d90 s ILE 37 Cb -0.18 -3.13 -0.07 0.00 0.01 0.00 0.00 42.46 39.10 2d90 s ILE 37 CO 0.50 0.04 0.54 -1.61 0.00 0.00 0.00 174.94 174.41 2d90 s GLU 38 N -1.37 4.09 0.57 2.79 2.02 -1.13 -5.02 118.70 120.64 2d90 s GLU 38 Ca 0.56 0.62 -0.19 0.00 0.02 0.00 0.00 54.97 55.98 2d90 s GLU 38 Cb -0.45 -3.13 -0.05 0.00 0.10 0.00 0.00 34.13 30.59 2d90 s GLU 38 CO 0.55 0.59 1.12 -1.25 0.02 0.00 0.00 175.26 176.30 2d90 s PRO 39 N -1.39 3.25 -0.73 0.39 0.04 -1.26 -2.98 135.00 132.33 2d90 s PRO 39 Ca 0.31 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2d90 s PRO 39 Cb -0.18 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2d90 s PRO 39 CO 0.18 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.71 2d90 n GLY 40 N 0.01 0.65 3.89 0.56 0.00 -1.26 -4.91 105.19 104.14 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 -1.71 6.52 0.52 1.61 1.04 -1.16 -4.91 113.70 115.60 2d90 s SER 41 Ca 0.00 0.78 0.34 0.00 0.48 0.00 0.00 55.95 57.54 2d90 s SER 41 Cb 0.00 -2.17 1.48 0.00 0.10 0.00 0.00 66.02 65.43 2d90 s SER 41 CO 0.00 -0.11 1.79 -0.65 0.98 0.00 0.00 173.24 175.25 2d90 h PRO 42 N 2.18 0.07 -0.28 4.02 0.11 -1.82 0.20 132.00 136.48 2d90 h PRO 42 Ca -0.47 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2d90 h PRO 42 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2d90 h PRO 42 CO 0.68 0.04 -0.20 0.00 -0.21 0.00 0.00 178.00 178.31 2d90 h ALA 43 N 1.44 0.40 -0.06 -0.75 0.00 -1.61 0.33 119.26 119.02 2d90 h ALA 43 Ca 0.58 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2d90 h ALA 43 Cb 2.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 2d90 h ALA 43 CO -0.07 0.34 -0.67 1.49 0.00 0.00 0.00 179.25 180.34 2d90 h GLU 44 N 0.36 0.25 0.00 0.00 4.57 -0.88 -2.80 114.58 116.08 2d90 h GLU 44 Ca 0.05 -0.19 -0.14 0.00 -1.18 0.00 0.00 59.36 57.91 2d90 h GLU 44 Cb 0.75 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 2d90 h GLU 44 CO 0.05 0.83 -0.65 0.00 -1.18 0.00 0.00 179.01 178.07 2d90 h ALA 45 N 1.12 0.70 -0.11 2.92 0.00 -1.01 -3.18 119.26 119.71 2d90 h ALA 45 Ca -0.02 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 2d90 h ALA 45 Cb 1.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2d90 h ALA 45 CO 0.11 0.81 -0.28 0.00 0.00 0.00 0.00 179.25 179.89 2d90 h ALA 46 N 1.35 1.33 0.00 0.00 0.00 -0.84 -3.46 119.26 117.65 2d90 h ALA 46 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2d90 h ALA 46 Cb 1.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2d90 h ALA 46 CO 0.08 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2d90 n GLY 47 N -0.54 1.41 1.55 0.00 0.00 -1.20 -4.66 105.19 101.75 2d90 n GLY 47 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.06 -5.06 117.00 112.99 2d90 n LEU 48 Ca 0.00 -0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 55.63 2d90 n LEU 48 Cb 0.00 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 2d90 n LEU 48 CO 0.00 -1.97 0.58 -0.54 -1.33 0.00 0.00 177.39 174.13 2d90 s LYS 49 N -3.07 0.49 0.41 3.23 1.02 -1.26 -4.97 119.74 115.59 2d90 s LYS 49 Ca 0.23 0.82 -0.24 0.00 0.02 0.00 0.00 55.97 56.80 2d90 s LYS 49 Cb -0.04 0.11 -0.11 0.00 -0.52 0.00 0.00 37.83 37.27 2d90 s LYS 49 CO 0.19 -0.10 0.90 0.09 -0.92 0.00 0.00 175.35 175.51 2d90 n ASN 50 N 3.73 0.72 -0.69 2.83 4.13 -1.26 -2.15 115.26 122.57 2d90 n ASN 50 Ca -0.18 1.01 -0.07 0.00 1.68 0.00 0.00 54.58 57.02 2d90 n ASN 50 Cb 0.58 -1.29 -0.01 0.00 -1.54 0.00 0.00 39.78 37.52 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 0.72 -2.86 -4.67 6.41 3.02 0.91 -4.97 115.26 113.82 2d90 n ASN 51 Ca 0.10 0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.27 2d90 n ASN 51 Cb 0.39 -1.89 -0.04 0.00 -0.61 0.00 0.00 39.78 37.63 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 -2.76 6.98 -0.46 6.41 1.11 -0.91 -4.75 116.67 122.28 2d90 s ASP 52 Ca 0.00 1.21 -0.19 0.00 0.18 0.00 0.00 52.55 53.75 2d90 s ASP 52 Cb 0.00 -2.47 0.04 0.00 1.07 0.00 0.00 42.92 41.56 2d90 s ASP 52 CO 0.00 -0.44 0.57 -0.22 1.18 0.00 0.00 175.17 176.26 2d90 s LEU 53 N 2.30 4.83 -0.36 1.23 2.96 -1.25 -1.29 118.68 127.09 2d90 s LEU 53 Ca 0.39 -0.70 -0.20 0.00 -0.22 0.00 0.00 54.13 53.40 2d90 s LEU 53 Cb -0.16 -2.50 0.00 0.00 0.50 0.00 0.00 46.19 44.03 2d90 s LEU 53 CO 0.12 -0.77 0.61 -0.69 -1.32 0.00 0.00 176.35 174.30 2d90 s VAL 54 N 2.52 4.92 -0.10 1.68 1.01 0.93 -2.37 120.40 128.99 2d90 s VAL 54 Ca 0.16 0.49 0.20 0.00 0.00 0.00 0.00 61.98 62.84 2d90 s VAL 54 Cb -0.17 -4.06 -0.27 0.00 0.00 0.00 0.00 36.38 31.87 2d90 s VAL 54 CO 0.14 -0.31 0.44 1.33 0.00 0.00 0.00 175.10 176.70 2d90 n VAL 55 N 5.57 0.52 -3.83 2.92 0.24 -0.98 -1.64 118.33 121.12 2d90 n VAL 55 Ca -0.02 -0.62 -0.12 0.00 -2.04 0.00 0.00 64.34 61.54 2d90 n VAL 55 Cb 0.49 -0.21 -0.11 0.00 -1.47 0.00 0.00 33.84 32.53 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 -3.18 -0.41 -0.10 2.33 0.00 -1.23 -2.07 121.76 117.10 2d90 s ALA 56 Ca -0.08 0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 2d90 s ALA 56 Cb 0.11 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.15 2d90 s ALA 56 CO 0.87 -0.15 -0.05 0.08 0.00 0.00 0.00 175.76 176.52 2d90 s VAL 57 N -0.61 0.82 -1.50 0.00 1.01 0.12 -1.13 120.40 119.11 2d90 s VAL 57 Ca -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2d90 s VAL 57 Cb -0.04 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.45 2d90 s VAL 57 CO 0.01 0.33 0.00 0.59 0.00 0.00 0.00 175.10 176.02 2d90 n ASN 58 N 5.01 -5.02 0.00 3.32 3.02 0.22 -1.68 115.26 120.12 2d90 n ASN 58 Ca -0.11 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2d90 n ASN 58 Cb 0.50 -4.11 0.00 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 -1.00 0.41 3.12 7.41 0.00 -1.26 -5.02 105.19 108.85 2d90 n GLY 59 Ca -0.20 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.60 2.58 -0.39 1.61 -0.14 -0.68 -5.07 119.74 116.05 2d90 s LYS 60 Ca 0.00 -0.70 -0.27 0.00 -1.36 0.00 0.00 55.97 53.64 2d90 s LYS 60 Cb 0.00 -2.09 -0.05 0.00 -1.68 0.00 0.00 37.83 34.01 2d90 s LYS 60 CO 0.00 0.01 2.25 -1.12 -0.76 0.00 0.00 175.35 175.73 2d90 s SER 61 N 0.77 4.99 -0.16 2.83 0.01 -1.26 -0.70 113.70 120.18 2d90 s SER 61 Ca -0.10 1.35 0.13 0.00 1.31 0.00 0.00 55.95 58.63 2d90 s SER 61 Cb -0.16 -2.51 -0.24 0.00 0.21 0.00 0.00 66.02 63.33 2d90 s SER 61 CO 0.01 -2.41 0.23 1.33 0.41 0.00 0.00 173.24 172.80 2d90 n VAL 62 N 7.81 1.50 -0.36 3.43 0.24 -1.02 -4.33 118.33 125.59 2d90 n VAL 62 Ca 0.32 -0.79 0.34 0.00 -2.04 0.00 0.00 64.34 62.17 2d90 n VAL 62 Cb 0.50 -0.84 0.61 0.00 -1.47 0.00 0.00 33.84 32.65 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 0.01 0.01 -0.46 7.34 4.11 -1.63 1.20 114.58 125.16 2d90 h GLU 63 Ca -0.47 -0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.89 2d90 h GLU 63 Cb 2.12 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.35 2d90 h GLU 63 CO 0.03 0.01 0.00 0.00 0.07 0.00 0.00 179.01 179.12 2d90 h ALA 64 N 1.89 0.61 -1.92 1.06 0.00 -1.85 -3.35 119.26 115.69 2d90 h ALA 64 Ca 0.86 -0.27 -0.36 0.00 0.00 0.00 0.00 54.91 55.14 2d90 h ALA 64 Cb 2.41 -0.17 0.21 0.00 0.00 0.00 0.00 17.79 20.24 2d90 h ALA 64 CO -0.68 0.41 -0.17 1.28 0.00 0.00 0.00 179.25 180.09 2d90 n LEU 65 N -4.38 -0.43 -4.87 0.00 4.77 0.41 -5.05 117.00 107.45 2d90 n LEU 65 Ca 0.00 -0.81 -0.24 0.00 -0.03 0.00 0.00 56.01 54.93 2d90 n LEU 65 Cb 0.30 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 40.36 2d90 n LEU 65 CO 0.41 -4.50 0.01 1.51 -1.33 0.00 0.00 177.39 173.50 2d90 s ASP 66 N -2.98 4.78 0.19 -1.43 1.47 -1.26 -4.79 116.67 112.64 2d90 s ASP 66 Ca 0.65 -1.01 -0.11 0.00 1.18 0.00 0.00 52.55 53.26 2d90 s ASP 66 Cb -0.12 -0.12 0.23 0.00 -0.34 0.00 0.00 42.92 42.57 2d90 s ASP 66 CO 0.55 -0.85 1.18 1.57 0.68 0.00 0.00 175.17 178.30 2d90 n HIS 67 N -1.62 0.09 0.39 2.11 -0.00 -1.26 -0.67 115.22 114.27 2d90 n HIS 67 Ca 0.01 0.93 -0.15 0.00 -0.00 0.00 0.00 57.72 58.51 2d90 n HIS 67 Cb 0.63 -0.83 -0.07 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 -0.85 -0.85 0.26 3.32 -1.97 -2.00 116.42 114.33 2d90 h ASP 68 Ca 0.29 0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.47 2d90 h ASP 68 Cb 0.48 0.22 -0.12 0.00 0.22 0.00 0.00 39.33 40.13 2d90 h ASP 68 CO -0.76 -0.55 -0.51 1.23 -1.72 0.00 0.00 179.24 176.93 2d90 h GLY 69 N -1.12 -0.57 0.34 2.75 0.00 -1.26 0.79 103.07 104.00 2d90 h GLY 69 Ca -0.10 0.68 0.03 0.00 0.00 0.00 0.00 47.33 47.94 2d90 h GLY 69 CO 0.17 -0.07 -0.30 -2.08 0.00 0.00 0.00 176.54 174.25 2d90 h VAL 70 N -0.09 0.33 0.00 4.60 2.07 -0.93 0.96 116.25 123.19 2d90 h VAL 70 Ca 0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2d90 h VAL 70 Cb 0.51 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2d90 h VAL 70 CO -0.86 0.00 0.00 0.58 0.02 0.00 0.00 177.57 177.31 2d90 h VAL 71 N -0.46 0.00 0.21 2.57 2.07 -0.38 -2.31 116.25 117.94 2d90 h VAL 71 Ca 0.06 -0.11 -0.28 0.00 0.82 0.00 0.00 66.70 67.18 2d90 h VAL 71 Cb 0.54 0.83 0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2d90 h VAL 71 CO -0.25 0.00 -1.23 -0.08 0.02 0.00 0.00 177.57 176.03 2d90 h GLU 72 N 0.00 0.44 -0.88 1.57 4.81 0.29 -3.31 114.58 117.51 2d90 h GLU 72 Ca 0.00 -0.76 0.07 0.00 -0.13 0.00 0.00 59.36 58.54 2d90 h GLU 72 Cb 0.14 0.28 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 2d90 h GLU 72 CO 0.00 1.36 0.54 0.52 -0.73 0.00 0.00 179.01 180.71 2d90 h MET 73 N -0.06 0.94 -0.48 1.92 2.86 -0.58 0.27 114.93 119.80 2d90 h MET 73 Ca -0.22 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.43 2d90 h MET 73 Cb 1.96 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 33.36 2d90 h MET 73 CO 0.22 0.62 0.18 0.82 1.06 0.00 0.00 176.91 179.82 2d90 h ILE 74 N 0.97 0.86 0.00 -1.22 2.04 -1.65 -1.55 117.51 116.97 2d90 h ILE 74 Ca 0.39 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.99 2d90 h ILE 74 Cb 0.21 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2d90 h ILE 74 CO -0.19 0.07 -0.62 0.03 0.00 0.00 0.00 178.15 177.44 2d90 h ARG 75 N 0.37 0.00 0.00 2.37 3.08 -1.47 -2.74 114.38 115.98 2d90 h ARG 75 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2d90 h ARG 75 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2d90 h ARG 75 CO -0.22 0.62 0.00 1.63 -1.07 0.00 0.00 179.97 180.93 2d90 n LYS 76 N -3.79 0.41 -1.22 0.04 5.02 0.02 -2.75 118.16 115.89 2d90 n LYS 76 Ca -0.01 0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.08 2d90 n LYS 76 Cb 0.62 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.29 2d90 n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2d90 n GLY 77 N -0.05 4.89 7.00 0.72 0.00 -1.04 -5.03 105.19 111.69 2d90 n GLY 77 Ca 0.10 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.09 2.34 0.21 -0.02 0.00 -1.11 -3.11 105.19 102.41 2d90 n GLY 78 Ca 0.57 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 46.59 2d90 n GLY 78 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2d90 n ASP 79 N 10.68 1.94 -4.86 1.61 -0.08 -1.26 -4.87 116.55 119.71 2d90 n ASP 79 Ca 0.00 0.10 -0.25 0.00 -1.51 0.00 0.00 54.79 53.13 2d90 n ASP 79 Cb 0.00 -0.52 -0.04 0.00 2.34 0.00 0.00 41.12 42.90 2d90 n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2d90 s GLN 80 N -2.42 3.11 -0.18 -0.67 -2.07 -1.18 -0.94 119.66 115.30 2d90 s GLN 80 Ca -0.30 -0.80 -0.26 0.00 -1.82 0.00 0.00 55.36 52.17 2d90 s GLN 80 Cb 0.10 -2.75 0.07 0.00 -1.09 0.00 0.00 33.01 29.34 2d90 s GLN 80 CO 0.44 0.48 0.68 -0.08 -1.32 0.00 0.00 175.29 175.49 2d90 s THR 81 N -1.82 0.00 -0.15 3.63 -1.32 -0.59 -4.67 115.64 110.73 2d90 s THR 81 Ca 0.32 -0.01 -0.12 0.00 -1.21 0.00 0.00 61.69 60.67 2d90 s THR 81 Cb -0.10 -0.96 -0.05 0.00 -1.51 0.00 0.00 72.50 69.88 2d90 s THR 81 CO 0.26 -0.01 0.24 -0.89 -2.21 0.00 0.00 174.62 172.01 2d90 s THR 82 N -0.21 5.34 0.18 5.08 2.01 -1.26 -2.58 115.64 124.20 2d90 s THR 82 Ca -0.04 0.44 0.08 0.00 0.31 0.00 0.00 61.69 62.47 2d90 s THR 82 Cb -0.03 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 2d90 s THR 82 CO 0.04 0.46 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.64 2d90 s LEU 83 N 0.04 3.21 -0.33 4.42 1.43 0.47 0.70 118.68 128.62 2d90 s LEU 83 Ca 0.15 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2d90 s LEU 83 Cb -0.13 -1.86 0.11 0.00 0.03 0.00 0.00 46.19 44.33 2d90 s LEU 83 CO 0.03 0.09 0.11 -0.22 0.23 0.00 0.00 176.35 176.59 2d90 s LEU 84 N -2.97 2.75 0.21 1.79 2.96 -0.28 -0.96 118.68 122.19 2d90 s LEU 84 Ca 0.27 -1.87 0.08 0.00 -0.22 0.00 0.00 54.13 52.39 2d90 s LEU 84 Cb -0.09 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 2d90 s LEU 84 CO 0.18 -0.39 0.02 0.68 -1.32 0.00 0.00 176.35 175.52 2d90 s VAL 85 N 1.31 3.72 0.01 1.68 -7.23 -1.09 -2.33 120.40 116.46 2d90 s VAL 85 Ca 0.11 -1.58 -0.02 0.00 -1.81 0.00 0.00 61.98 58.69 2d90 s VAL 85 Cb -0.19 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 2d90 s VAL 85 CO -0.19 -0.22 0.16 -0.76 -0.31 0.00 0.00 175.10 173.79 2d90 s LEU 86 N -3.28 4.26 -0.21 1.32 2.01 -1.00 -0.16 118.68 121.63 2d90 s LEU 86 Ca 0.29 0.29 -0.15 0.00 0.01 0.00 0.00 54.13 54.57 2d90 s LEU 86 Cb -0.08 -2.60 -0.08 0.00 0.01 0.00 0.00 46.19 43.44 2d90 s LEU 86 CO 0.20 0.25 -0.33 -0.67 1.01 0.00 0.00 176.35 176.81 2d90 n ASP 87 N 0.87 1.85 -0.13 2.29 -0.08 -1.26 -4.22 116.55 115.87 2d90 n ASP 87 Ca -0.10 0.32 -0.10 0.00 -1.51 0.00 0.00 54.79 53.39 2d90 n ASP 87 Cb 0.52 -0.73 -0.02 0.00 2.34 0.00 0.00 41.12 43.23 2d90 n ASP 87 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2d90 h LYS 88 N -0.93 0.61 -1.41 -0.67 1.63 -1.96 -2.84 116.57 111.01 2d90 h LYS 88 Ca -0.30 -0.16 -0.29 0.00 -0.85 0.00 0.00 60.65 59.04 2d90 h LYS 88 Cb 1.22 -0.07 -0.14 0.00 -0.60 0.00 0.00 32.23 32.65 2d90 h LYS 88 CO -0.18 0.68 0.38 0.39 -3.45 0.00 0.00 179.45 177.26 2d90 n GLU 89 N -4.56 1.72 -0.10 1.90 -0.58 -1.26 -4.13 120.64 113.63 2d90 n GLU 89 Ca -0.01 -1.48 -0.23 0.00 -0.42 0.00 0.00 57.16 55.02 2d90 n GLU 89 Cb 0.23 -1.58 -0.12 0.00 -0.57 0.00 0.00 31.44 29.40 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 0.23 1.17 -2.44 0.62 0.00 -1.07 -4.78 120.51 114.23 2d90 n ALA 90 Ca 0.29 -0.92 -0.39 0.00 0.00 0.00 0.00 53.44 52.42 2d90 n ALA 90 Cb 0.69 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 2d90 n ALA 90 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2d90 s GLU 91 N -2.50 3.24 -0.39 0.00 2.12 -1.26 -4.81 118.70 115.11 2d90 s GLU 91 Ca -0.33 -0.58 0.08 0.00 0.36 0.00 0.00 54.97 54.49 2d90 s GLU 91 Cb 0.10 -4.87 0.44 0.00 0.26 0.00 0.00 34.13 30.06 2d90 s GLU 91 CO 0.60 -2.39 1.11 -1.13 -0.54 0.00 0.00 175.26 172.90 2d90 n SER 92 N 10.06 4.28 -4.73 -1.70 3.41 -1.26 -5.05 113.62 118.64 2d90 n SER 92 Ca 0.24 -3.55 -0.36 0.00 -0.26 0.00 0.00 58.87 54.93 2d90 n SER 92 Cb 0.50 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 2d90 n SER 92 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2d90 s ILE 93 N -5.01 5.33 0.17 -1.33 1.09 -1.26 -5.07 121.20 115.12 2d90 s ILE 93 Ca 0.46 0.46 0.03 0.00 -1.10 0.00 0.00 60.65 60.49 2d90 s ILE 93 Cb 0.41 -3.59 -0.05 0.00 -1.06 0.00 0.00 42.46 38.17 2d90 s ILE 93 CO -0.11 0.40 -0.03 -0.31 -0.10 0.00 0.00 174.94 174.79 2d90 s TYR 94 N 0.45 1.24 0.33 3.97 1.51 -1.26 -5.17 117.35 118.43 2d90 s TYR 94 Ca 0.14 -0.93 -0.16 0.00 -1.01 0.00 0.00 57.07 55.12 2d90 s TYR 94 Cb -0.12 -0.69 0.03 0.00 -0.11 0.00 0.00 41.96 41.06 2d90 s TYR 94 CO 0.02 -0.10 0.70 0.45 -1.11 0.00 0.00 175.55 175.51 2d90 s SER 95 N -3.18 0.00 -0.15 2.29 0.15 -1.26 -5.17 113.70 106.38 2d90 s SER 95 Ca 0.21 -0.99 -0.08 0.00 0.70 0.00 0.00 55.95 55.80 2d90 s SER 95 Cb 0.05 0.77 0.06 0.00 -1.71 0.00 0.00 66.02 65.18 2d90 s SER 95 CO 0.03 -1.48 0.36 -0.22 1.20 0.00 0.00 173.24 173.12 2d90 s LEU 96 N -3.03 -0.03 0.17 3.45 2.96 -1.26 -5.16 118.68 115.77 2d90 s LEU 96 Ca 0.16 0.79 0.06 0.00 -0.22 0.00 0.00 54.13 54.92 2d90 s LEU 96 Cb -0.04 1.15 -0.04 0.00 0.50 0.00 0.00 46.19 47.75 2d90 s LEU 96 CO 0.11 -0.19 0.10 -0.44 -1.32 0.00 0.00 176.35 174.60 2d90 s SER 97 N 1.55 5.31 0.27 3.68 0.01 -1.26 -5.13 113.70 118.13 2d90 s SER 97 Ca -0.08 -0.21 0.10 0.00 1.31 0.00 0.00 55.95 57.06 2d90 s SER 97 Cb -0.09 -1.32 -0.05 0.00 0.21 0.00 0.00 66.02 64.76 2d90 s SER 97 CO -0.11 0.07 -0.14 -0.83 0.41 0.00 0.00 173.24 172.63 2d90 s GLY 98 N -3.10 1.81 -0.46 3.44 0.00 -1.26 -5.08 107.32 102.67 2d90 s GLY 98 Ca 0.30 -1.86 -0.28 0.00 0.00 0.00 0.00 44.72 42.88 2d90 s GLY 98 CO 0.22 -1.90 1.77 2.56 0.00 0.00 0.00 173.10 175.75 2d90 s PRO 99 N -3.60 3.08 0.14 2.90 0.04 -1.26 -4.88 135.00 131.42 2d90 s PRO 99 Ca 0.28 1.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.17 2d90 s PRO 99 Cb -0.01 -4.25 -0.01 0.00 0.04 0.00 0.00 34.50 30.27 2d90 s PRO 99 CO 0.13 -2.18 1.80 0.77 0.04 0.00 0.00 177.00 177.56 2d90 h SER 100 N 13.43 0.35 0.00 6.66 0.02 -2.07 -3.26 113.55 128.68 2d90 h SER 100 Ca -0.30 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2d90 h SER 100 Cb 1.16 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2d90 h SER 100 CO 1.12 0.25 0.00 -0.24 -1.14 0.00 0.00 176.83 176.82 2d90 n SER 101 N -4.88 0.00 -0.02 3.07 2.88 -1.26 -5.36 113.62 108.05 2d90 n SER 101 Ca -0.01 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 2d90 n SER 101 Cb 0.04 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2d90 n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42