#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d90 h SER 2 N 0.00 -1.17 -0.54 1.61 0.02 -2.08 -3.45 113.55 107.94 2d90 h SER 2 Ca 0.00 0.10 -0.63 0.00 -0.84 0.00 0.00 61.79 60.42 2d90 h SER 2 Cb 0.00 0.40 -0.09 0.00 0.14 0.00 0.00 62.40 62.85 2d90 h SER 2 CO 0.00 -0.52 -0.43 -0.94 -1.14 0.00 0.00 176.83 173.80 2d90 s SER 3 N -4.02 4.35 0.00 3.07 1.04 -1.26 -5.11 113.70 111.78 2d90 s SER 3 Ca -0.14 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 54.84 2d90 s SER 3 Cb 0.04 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2d90 s SER 3 CO 0.48 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2d90 n GLY 4 N -1.47 0.75 3.42 7.32 0.00 -1.26 -4.97 105.19 108.99 2d90 n GLY 4 Ca -0.11 -2.21 -0.44 0.00 0.00 0.00 0.00 46.02 43.26 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 -1.43 6.36 -0.71 1.61 0.01 -1.26 -4.95 113.70 113.34 2d90 s SER 5 Ca 0.00 -1.56 0.05 0.00 1.31 0.00 0.00 55.95 55.75 2d90 s SER 5 Cb 0.00 -2.37 0.17 0.00 0.21 0.00 0.00 66.02 64.03 2d90 s SER 5 CO 0.00 -1.18 0.50 -0.55 0.41 0.00 0.00 173.24 172.42 2d90 s SER 6 N 3.56 4.86 0.00 2.44 0.15 -1.26 -4.99 113.70 118.47 2d90 s SER 6 Ca 0.22 -3.82 0.00 0.00 0.70 0.00 0.00 55.95 53.05 2d90 s SER 6 Cb -0.15 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 2d90 s SER 6 CO 0.02 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2d90 n GLY 7 N 2.03 1.77 3.88 9.45 0.00 -1.26 -4.95 105.19 116.11 2d90 n GLY 7 Ca 0.19 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 -4.42 3.66 -0.15 1.61 1.70 -0.14 -4.88 118.95 116.34 2d90 s ARG 8 Ca 0.00 0.50 -0.06 0.00 -0.47 0.00 0.00 55.73 55.69 2d90 s ARG 8 Cb 0.00 -2.27 -0.04 0.00 -0.57 0.00 0.00 34.95 32.07 2d90 s ARG 8 CO 0.00 -0.27 0.07 0.08 -1.08 0.00 0.00 175.30 174.10 2d90 s VAL 9 N -2.75 4.90 0.12 4.99 1.01 -1.26 -2.79 120.40 124.62 2d90 s VAL 9 Ca 0.52 -0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.58 2d90 s VAL 9 Cb -0.10 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2d90 s VAL 9 CO 0.42 0.53 -0.24 -0.69 0.00 0.00 0.00 175.10 175.13 2d90 s VAL 10 N -0.27 1.99 -0.07 2.92 1.01 0.87 -4.97 120.40 121.88 2d90 s VAL 10 Ca 0.09 -1.68 -0.02 0.00 0.00 0.00 0.00 61.98 60.37 2d90 s VAL 10 Cb -0.12 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.50 2d90 s VAL 10 CO 0.01 -0.01 0.03 -0.69 0.00 0.00 0.00 175.10 174.45 2d90 s VAL 11 N -1.18 0.16 0.21 2.92 1.01 -1.26 -0.52 120.40 121.74 2d90 s VAL 11 Ca 0.11 0.18 0.11 0.00 0.00 0.00 0.00 61.98 62.38 2d90 s VAL 11 Cb -0.10 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 2d90 s VAL 11 CO 0.05 0.16 -0.21 -0.63 0.00 0.00 0.00 175.10 174.48 2d90 s ILE 12 N 2.05 2.20 -0.13 2.22 1.01 -1.05 -4.73 121.20 122.78 2d90 s ILE 12 Ca 0.04 -2.13 -0.03 0.00 0.00 0.00 0.00 60.65 58.53 2d90 s ILE 12 Cb -0.13 -2.10 0.05 0.00 0.01 0.00 0.00 42.46 40.29 2d90 s ILE 12 CO -0.05 -0.29 0.05 -0.54 0.00 0.00 0.00 174.94 174.11 2d90 s LYS 13 N -3.04 0.29 0.21 2.79 1.02 -1.26 -1.95 119.74 117.81 2d90 s LYS 13 Ca 0.22 -0.02 -0.18 0.00 0.02 0.00 0.00 55.97 56.01 2d90 s LYS 13 Cb -0.06 -1.42 -0.12 0.00 -0.52 0.00 0.00 37.83 35.71 2d90 s LYS 13 CO 0.10 -0.51 0.24 1.17 -0.92 0.00 0.00 175.35 175.43 2d90 n LYS 14 N 5.20 0.00 0.00 1.68 4.81 0.57 -4.79 118.16 125.63 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 -0.73 0.00 0.00 0.02 0.00 0.00 35.03 34.81 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 1.58 1.08 0.50 3.14 0.00 -0.87 -4.97 105.19 105.65 2d90 n GLY 15 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 2d90 n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d90 n SER 16 N 0.00 1.39 -0.07 1.61 7.64 -1.26 -4.82 113.62 118.11 2d90 n SER 16 Ca 0.00 0.23 -0.12 0.00 1.01 0.00 0.00 58.87 59.98 2d90 n SER 16 Cb 0.00 -0.53 -0.11 0.00 -1.01 0.00 0.00 64.21 62.56 2d90 n SER 16 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2d90 h ASN 17 N -0.58 0.00 0.00 6.43 -0.73 -2.02 -3.50 115.58 115.17 2d90 h ASN 17 Ca -0.18 -0.79 0.00 0.00 1.87 0.00 0.00 56.30 57.19 2d90 h ASN 17 Cb 0.93 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.52 2d90 h ASN 17 CO -0.11 0.96 0.00 0.61 -0.37 0.00 0.00 177.43 178.52 2d90 n GLY 18 N 1.62 1.77 0.12 1.57 0.00 -1.26 -5.06 105.19 103.95 2d90 n GLY 18 Ca -0.10 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.23 0.00 1.61 4.01 -1.26 -2.05 117.16 119.70 2d90 n TYR 19 Ca 0.00 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2d90 n TYR 19 Cb 0.00 -0.91 0.00 0.00 -0.31 0.00 0.00 39.34 38.12 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 1.34 1.53 3.63 2.72 0.00 -1.26 -0.51 105.19 112.65 2d90 n GLY 20 Ca -0.40 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.39 2.86 0.38 1.61 -0.71 -1.26 -1.25 117.98 119.22 2d90 s PHE 21 Ca 0.00 -0.09 0.08 0.00 -1.04 0.00 0.00 56.93 55.88 2d90 s PHE 21 Cb 0.00 -1.49 -0.06 0.00 -1.21 0.00 0.00 43.02 40.27 2d90 s PHE 21 CO 0.00 0.45 0.08 0.71 -1.34 0.00 0.00 175.22 175.12 2d90 s TYR 22 N -1.26 2.57 -0.01 3.49 1.51 -1.20 -5.00 117.35 117.45 2d90 s TYR 22 Ca 0.23 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 2d90 s TYR 22 Cb -0.11 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 2d90 s TYR 22 CO 0.16 0.36 -0.13 -0.51 -1.11 0.00 0.00 175.55 174.32 2d90 s LEU 23 N -3.79 2.02 -0.01 -1.29 1.43 -1.26 -3.41 118.68 112.38 2d90 s LEU 23 Ca 0.37 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2d90 s LEU 23 Cb 0.03 -0.68 0.01 0.00 0.03 0.00 0.00 46.19 45.58 2d90 s LEU 23 CO 0.20 0.16 -0.00 -0.60 0.23 0.00 0.00 176.35 176.34 2d90 s ARG 24 N -0.31 0.11 -0.53 1.70 3.52 -0.73 -4.93 118.95 117.79 2d90 s ARG 24 Ca 0.05 0.01 -0.31 0.00 -0.13 0.00 0.00 55.73 55.35 2d90 s ARG 24 Cb -0.05 -0.19 -0.12 0.00 -1.56 0.00 0.00 34.95 33.03 2d90 s ARG 24 CO -0.01 -0.03 2.38 0.00 -0.81 0.00 0.00 175.30 176.83 2d90 n ALA 25 N 3.41 0.84 -1.45 6.12 0.00 -1.26 -2.36 120.51 125.81 2d90 n ALA 25 Ca -0.17 -0.40 -0.30 0.00 0.00 0.00 0.00 53.44 52.57 2d90 n ALA 25 Cb 0.56 -2.71 0.22 0.00 0.00 0.00 0.00 19.45 17.52 2d90 n ALA 25 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2d90 s GLY 26 N 9.31 1.67 0.00 0.00 0.00 -1.26 -4.95 107.32 112.08 2d90 s GLY 26 Ca 1.11 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 44.78 2d90 s GLY 26 CO 0.41 -0.22 0.00 -1.55 0.00 0.00 0.00 173.10 171.74 2d90 n PRO 27 N -4.34 -0.81 -0.51 2.90 -0.04 -1.26 -4.76 135.00 126.18 2d90 n PRO 27 Ca 0.14 0.00 0.40 0.00 -0.04 0.00 0.00 63.50 64.00 2d90 n PRO 27 Cb 0.59 0.00 0.64 0.00 -0.04 0.00 0.00 33.50 34.70 2d90 n PRO 27 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2d90 n GLU 28 N -1.35 -0.01 -1.54 0.54 0.28 -1.26 -4.48 120.64 112.81 2d90 n GLU 28 Ca 0.00 0.98 -0.42 0.00 -0.16 0.00 0.00 57.16 57.56 2d90 n GLU 28 Cb 0.00 -2.11 0.01 0.00 1.43 0.00 0.00 31.44 30.77 2d90 n GLU 28 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2d90 n GLN 29 N -3.97 0.98 -2.99 3.44 1.13 -1.26 -4.91 117.38 109.80 2d90 n GLN 29 Ca 0.36 0.35 -0.41 0.00 -1.94 0.00 0.00 57.00 55.36 2d90 n GLN 29 Cb 1.55 -1.78 -0.05 0.00 0.11 0.00 0.00 30.24 30.06 2d90 n GLN 29 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2d90 s LYS 30 N -1.80 4.10 0.00 -1.09 3.01 -1.26 -4.84 119.74 117.86 2d90 s LYS 30 Ca 0.63 0.71 0.00 0.00 -1.01 0.00 0.00 55.97 56.30 2d90 s LYS 30 Cb -0.59 -3.66 0.00 0.00 -1.01 0.00 0.00 37.83 32.56 2d90 s LYS 30 CO 0.57 -0.51 0.00 0.41 0.51 0.00 0.00 175.35 176.33 2d90 n GLY 31 N 4.01 3.60 3.88 -3.33 0.00 -1.24 -4.68 105.19 107.42 2d90 n GLY 31 Ca 0.03 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.78 3.32 0.00 1.61 -1.52 -0.94 -4.23 119.66 114.12 2d90 s GLN 32 Ca 0.00 0.64 0.04 0.00 -1.95 0.00 0.00 55.36 54.08 2d90 s GLN 32 Cb 0.00 -2.06 -0.03 0.00 -0.22 0.00 0.00 33.01 30.70 2d90 s GLN 32 CO 0.00 -0.75 -0.08 0.42 -0.25 0.00 0.00 175.29 174.63 2d90 s ILE 33 N -3.25 3.53 -0.05 1.08 1.01 -0.99 -1.79 121.20 120.74 2d90 s ILE 33 Ca 0.56 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 2d90 s ILE 33 Cb -0.11 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 2d90 s ILE 33 CO 0.53 0.41 0.16 -0.63 0.00 0.00 0.00 174.94 175.41 2d90 s ILE 34 N -0.96 5.39 -0.10 2.92 1.01 -0.71 -1.76 121.20 126.99 2d90 s ILE 34 Ca 0.16 -0.05 -0.32 0.00 0.00 0.00 0.00 60.65 60.45 2d90 s ILE 34 Cb -0.11 -3.45 0.12 0.00 0.01 0.00 0.00 42.46 39.03 2d90 s ILE 34 CO 0.07 0.44 1.06 -1.59 0.00 0.00 0.00 174.94 174.91 2d90 s LYS 35 N -1.58 0.56 -0.70 2.79 -2.85 -1.22 0.12 119.74 116.86 2d90 s LYS 35 Ca 0.22 -0.21 -0.04 0.00 -1.00 0.00 0.00 55.97 54.94 2d90 s LYS 35 Cb -0.12 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 35.91 2d90 s LYS 35 CO 0.13 -0.25 0.53 -3.47 0.10 0.00 0.00 175.35 172.39 2d90 n ASP 36 N -0.18 -4.11 -4.77 0.03 -0.08 -1.26 -3.23 116.55 102.95 2d90 n ASP 36 Ca -0.04 -0.24 -0.41 0.00 -1.51 0.00 0.00 54.79 52.59 2d90 n ASP 36 Cb 0.60 -2.75 -0.01 0.00 2.34 0.00 0.00 41.12 41.30 2d90 n ASP 36 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2d90 s ILE 37 N -3.09 2.12 -0.07 5.18 1.01 -1.26 -4.68 121.20 120.41 2d90 s ILE 37 Ca 0.26 0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.97 2d90 s ILE 37 Cb -0.12 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 2d90 s ILE 37 CO 0.32 0.02 0.17 -1.61 0.00 0.00 0.00 174.94 173.85 2d90 s GLU 38 N -1.53 3.45 0.65 2.79 2.02 -0.38 -5.03 118.70 120.67 2d90 s GLU 38 Ca 0.56 -0.20 -0.15 0.00 0.02 0.00 0.00 54.97 55.19 2d90 s GLU 38 Cb -0.46 -3.15 -0.01 0.00 0.10 0.00 0.00 34.13 30.61 2d90 s GLU 38 CO 0.57 0.73 1.11 -1.25 0.02 0.00 0.00 175.26 176.45 2d90 s PRO 39 N -1.44 2.86 -0.54 0.39 0.04 -1.26 -3.13 135.00 131.92 2d90 s PRO 39 Ca 0.21 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.67 2d90 s PRO 39 Cb -0.12 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2d90 s PRO 39 CO 0.11 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.35 2d90 n GLY 40 N -0.44 0.33 3.94 0.56 0.00 -1.26 -4.88 105.19 103.44 2d90 n GLY 40 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.55 6.35 0.60 1.61 1.04 -1.18 -4.89 113.70 115.69 2d90 s SER 41 Ca 0.00 0.30 0.28 0.00 0.48 0.00 0.00 55.95 57.01 2d90 s SER 41 Cb 0.00 -1.97 1.28 0.00 0.10 0.00 0.00 66.02 65.43 2d90 s SER 41 CO 0.00 -0.06 1.68 -0.65 0.98 0.00 0.00 173.24 175.19 2d90 h PRO 42 N 1.74 0.00 0.04 4.02 0.11 -1.58 0.16 132.00 136.49 2d90 h PRO 42 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2d90 h PRO 42 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2d90 h PRO 42 CO 0.66 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.43 2d90 h ALA 43 N 1.11 -0.06 -0.84 -0.75 0.00 -1.10 -2.90 119.26 114.73 2d90 h ALA 43 Ca 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2d90 h ALA 43 Cb 1.78 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 2d90 h ALA 43 CO -0.00 -0.07 0.46 1.49 0.00 0.00 0.00 179.25 181.14 2d90 h GLU 44 N -0.99 1.17 -0.35 0.00 4.57 -1.36 -2.21 114.58 115.41 2d90 h GLU 44 Ca -0.01 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.01 2d90 h GLU 44 Cb 0.41 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2d90 h GLU 44 CO 0.01 0.85 0.08 0.00 -1.18 0.00 0.00 179.01 178.77 2d90 h ALA 45 N 1.25 1.50 0.00 2.92 0.00 -0.88 -1.89 119.26 122.16 2d90 h ALA 45 Ca 0.30 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2d90 h ALA 45 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2d90 h ALA 45 CO -0.05 0.37 -0.31 0.00 0.00 0.00 0.00 179.25 179.26 2d90 h ALA 46 N 1.60 1.33 0.00 0.00 0.00 -1.18 -3.47 119.26 117.54 2d90 h ALA 46 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2d90 h ALA 46 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2d90 h ALA 46 CO -0.00 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.05 2d90 n GLY 47 N -0.44 1.41 3.41 0.00 0.00 -0.71 -4.81 105.19 104.05 2d90 n GLY 47 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2d90 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d90 s LEU 48 N 0.00 -0.05 0.01 0.99 1.43 -1.09 -5.05 118.68 114.92 2d90 s LEU 48 Ca 0.00 1.19 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 2d90 s LEU 48 Cb 0.00 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 2d90 s LEU 48 CO 0.00 -4.72 -0.06 -0.54 0.23 0.00 0.00 176.35 171.26 2d90 s LYS 49 N -4.75 0.46 0.19 1.70 -0.14 -1.26 -4.92 119.74 111.03 2d90 s LYS 49 Ca 0.69 -0.37 -0.30 0.00 -1.36 0.00 0.00 55.97 54.62 2d90 s LYS 49 Cb -0.20 -0.38 -0.09 0.00 -1.68 0.00 0.00 37.83 35.49 2d90 s LYS 49 CO 0.62 0.09 1.34 -0.80 -0.76 0.00 0.00 175.35 175.84 2d90 s ASN 50 N -0.59 6.85 -0.48 2.83 -0.87 -1.26 -2.69 114.94 118.72 2d90 s ASN 50 Ca -0.02 2.43 0.00 0.00 -1.57 0.00 0.00 52.86 53.70 2d90 s ASN 50 Cb -0.05 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.58 2d90 s ASN 50 CO 0.00 -0.57 0.00 0.59 -2.57 0.00 0.00 177.10 174.55 2d90 n ASN 51 N 2.83 -2.51 -4.73 -1.22 3.02 0.33 -4.98 115.26 108.00 2d90 n ASN 51 Ca 0.07 0.02 -0.29 0.00 -0.03 0.00 0.00 54.58 54.35 2d90 n ASN 51 Cb 0.42 -1.65 0.14 0.00 -0.61 0.00 0.00 39.78 38.08 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 -2.79 3.48 -0.30 6.41 1.01 -1.09 -4.52 116.67 118.86 2d90 s ASP 52 Ca 0.00 1.33 0.01 0.00 0.71 0.00 0.00 52.55 54.60 2d90 s ASP 52 Cb 0.00 -2.01 0.09 0.00 1.01 0.00 0.00 42.92 42.02 2d90 s ASP 52 CO 0.00 -2.62 0.05 -0.22 0.21 0.00 0.00 175.17 172.60 2d90 s LEU 53 N -6.17 3.03 -0.39 1.23 2.96 -1.26 -1.74 118.68 116.35 2d90 s LEU 53 Ca 0.63 -1.69 -0.22 0.00 -0.22 0.00 0.00 54.13 52.64 2d90 s LEU 53 Cb -0.17 -1.14 0.01 0.00 0.50 0.00 0.00 46.19 45.39 2d90 s LEU 53 CO 0.56 -0.37 0.73 -0.69 -1.32 0.00 0.00 176.35 175.27 2d90 s VAL 54 N 1.37 4.76 -0.12 1.68 1.01 -0.74 -2.76 120.40 125.60 2d90 s VAL 54 Ca 0.07 0.65 0.18 0.00 0.00 0.00 0.00 61.98 62.88 2d90 s VAL 54 Cb -0.18 -4.20 -0.21 0.00 0.00 0.00 0.00 36.38 31.79 2d90 s VAL 54 CO -0.16 -0.48 0.53 1.33 0.00 0.00 0.00 175.10 176.33 2d90 n VAL 55 N 5.82 1.04 -3.94 2.92 0.24 -1.00 -2.21 118.33 121.20 2d90 n VAL 55 Ca 0.01 -0.71 -0.10 0.00 -2.04 0.00 0.00 64.34 61.51 2d90 n VAL 55 Cb 0.48 -0.53 -0.11 0.00 -1.47 0.00 0.00 33.84 32.22 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 -2.90 -0.03 -0.03 2.33 0.00 -1.23 -1.88 121.76 118.03 2d90 s ALA 56 Ca -0.06 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.50 2d90 s ALA 56 Cb 0.09 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.35 2d90 s ALA 56 CO 0.84 -0.17 -0.03 0.08 0.00 0.00 0.00 175.76 176.48 2d90 s VAL 57 N -1.36 0.37 -1.59 0.00 1.01 0.47 -1.69 120.40 117.60 2d90 s VAL 57 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2d90 s VAL 57 Cb -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.89 2d90 s VAL 57 CO -0.00 0.17 0.00 0.59 0.00 0.00 0.00 175.10 175.86 2d90 n ASN 58 N 3.81 -4.87 -0.14 3.32 3.02 0.87 -0.50 115.26 120.77 2d90 n ASN 58 Ca -0.23 0.20 -0.01 0.00 -0.03 0.00 0.00 54.58 54.50 2d90 n ASN 58 Cb 0.52 -4.18 -0.00 0.00 -0.61 0.00 0.00 39.78 35.51 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 -0.71 0.41 3.15 7.41 0.00 -1.26 -4.99 105.19 109.20 2d90 n GLY 59 Ca -0.19 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.01 0.88 -0.19 1.61 -0.14 0.34 -5.11 119.74 114.13 2d90 s LYS 60 Ca 0.00 -0.83 -0.29 0.00 -1.36 0.00 0.00 55.97 53.49 2d90 s LYS 60 Cb 0.00 -0.88 -0.03 0.00 -1.68 0.00 0.00 37.83 35.24 2d90 s LYS 60 CO 0.00 0.21 1.55 -1.54 -0.76 0.00 0.00 175.35 174.81 2d90 s SER 61 N -1.37 6.54 -0.01 2.83 1.04 -1.26 -0.40 113.70 121.07 2d90 s SER 61 Ca 0.00 1.72 0.04 0.00 0.48 0.00 0.00 55.95 58.19 2d90 s SER 61 Cb -0.09 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.43 2d90 s SER 61 CO 0.02 -1.10 0.10 1.33 0.98 0.00 0.00 173.24 174.56 2d90 n VAL 62 N 6.05 0.01 0.27 5.02 0.24 -1.08 -4.58 118.33 124.26 2d90 n VAL 62 Ca 0.17 -0.10 0.18 0.00 -2.04 0.00 0.00 64.34 62.55 2d90 n VAL 62 Cb 0.45 0.36 0.91 0.00 -1.47 0.00 0.00 33.84 34.08 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 0.00 7.34 9.09 -1.61 0.35 114.58 129.76 2d90 h GLU 63 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 2d90 h GLU 63 Cb 0.24 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.34 2d90 h GLU 63 CO 0.00 0.00 -0.72 0.00 0.05 0.00 0.00 179.01 178.34 2d90 h ALA 64 N 1.66 0.65 -2.24 1.06 0.00 -1.86 -3.29 119.26 115.24 2d90 h ALA 64 Ca 0.05 -0.03 -0.46 0.00 0.00 0.00 0.00 54.91 54.47 2d90 h ALA 64 Cb 0.48 0.01 0.13 0.00 0.00 0.00 0.00 17.79 18.41 2d90 h ALA 64 CO -0.00 0.04 0.39 -0.51 0.00 0.00 0.00 179.25 179.17 2d90 s LEU 65 N -5.63 2.65 0.44 0.00 1.43 0.12 -5.09 118.68 112.60 2d90 s LEU 65 Ca 0.02 0.45 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 2d90 s LEU 65 Cb 0.08 -2.71 0.01 0.00 0.03 0.00 0.00 46.19 43.60 2d90 s LEU 65 CO 0.76 -2.31 0.52 -1.81 0.23 0.00 0.00 176.35 173.74 2d90 s ASP 66 N -4.74 5.34 0.20 2.29 1.01 -1.26 -4.74 116.67 114.76 2d90 s ASP 66 Ca 0.68 -0.62 -0.13 0.00 0.71 0.00 0.00 52.55 53.19 2d90 s ASP 66 Cb -0.07 -0.47 0.23 0.00 1.01 0.00 0.00 42.92 43.62 2d90 s ASP 66 CO 0.51 -0.81 1.28 1.57 0.21 0.00 0.00 175.17 177.93 2d90 n HIS 67 N -1.79 0.07 -0.10 4.23 -0.00 -1.26 0.75 115.22 117.13 2d90 n HIS 67 Ca 0.07 1.02 -0.13 0.00 -0.00 0.00 0.00 57.72 58.68 2d90 n HIS 67 Cb 0.60 -0.84 -0.04 0.00 -0.00 0.00 0.00 29.99 29.71 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 0.68 -0.02 0.26 3.58 -1.96 -1.59 116.42 117.37 2d90 h ASP 68 Ca 0.31 -0.44 0.03 0.00 0.42 0.00 0.00 57.03 57.35 2d90 h ASP 68 Cb 0.51 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.32 2d90 h ASP 68 CO -0.83 0.98 -0.29 1.23 -2.88 0.00 0.00 179.24 177.45 2d90 h GLY 69 N 0.39 -0.46 0.71 -0.78 0.00 -0.02 0.69 103.07 103.62 2d90 h GLY 69 Ca 0.06 0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 2d90 h GLY 69 CO 0.06 -0.22 -0.06 -2.08 0.00 0.00 0.00 176.54 174.23 2d90 h VAL 70 N -0.43 1.01 0.00 4.60 2.07 -0.68 -2.57 116.25 120.25 2d90 h VAL 70 Ca 0.07 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2d90 h VAL 70 Cb 0.53 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2d90 h VAL 70 CO -0.26 0.14 0.12 0.52 0.02 0.00 0.00 177.57 178.11 2d90 n VAL 71 N -5.04 0.85 0.01 2.57 0.31 -0.60 -1.82 118.33 114.61 2d90 n VAL 71 Ca -0.09 0.75 -0.10 0.00 -0.01 0.00 0.00 64.34 64.89 2d90 n VAL 71 Cb 0.20 -1.75 -0.08 0.00 -0.91 0.00 0.00 33.84 31.30 2d90 n VAL 71 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2d90 h GLU 72 N 0.00 -0.13 -0.77 5.55 4.81 -0.43 -3.28 114.58 120.34 2d90 h GLU 72 Ca 0.00 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.40 2d90 h GLU 72 Cb 0.25 0.03 -0.14 0.00 0.63 0.00 0.00 28.75 29.51 2d90 h GLU 72 CO 0.00 0.37 -0.11 0.52 -0.73 0.00 0.00 179.01 179.06 2d90 h MET 73 N -0.88 0.03 -0.99 1.92 2.86 -1.34 0.45 114.93 116.98 2d90 h MET 73 Ca -0.01 -0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.82 2d90 h MET 73 Cb 0.56 -0.01 -0.11 0.00 0.06 0.00 0.00 31.60 32.10 2d90 h MET 73 CO 0.02 0.02 0.60 0.82 1.06 0.00 0.00 176.91 179.43 2d90 h ILE 74 N 0.03 0.69 0.26 -1.22 2.04 -1.66 0.66 117.51 118.32 2d90 h ILE 74 Ca 0.39 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 2d90 h ILE 74 Cb 0.65 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2d90 h ILE 74 CO -0.75 0.14 -0.12 0.03 0.00 0.00 0.00 178.15 177.44 2d90 h ARG 75 N 0.74 -0.34 0.00 2.37 3.08 -0.23 -3.22 114.38 116.78 2d90 h ARG 75 Ca 0.58 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.65 2d90 h ARG 75 Cb 0.90 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2d90 h ARG 75 CO -0.39 -0.22 0.20 1.57 -1.07 0.00 0.00 179.97 180.06 2d90 h LYS 76 N -0.86 0.00 -1.64 0.04 2.10 -0.85 -2.22 116.57 113.15 2d90 h LYS 76 Ca -0.04 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.46 2d90 h LYS 76 Cb 0.27 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.53 2d90 h LYS 76 CO 0.06 0.00 0.20 0.41 -2.00 0.00 0.00 179.45 178.12 2d90 n GLY 77 N -1.20 3.20 7.00 0.07 0.00 0.23 -4.99 105.19 109.50 2d90 n GLY 77 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.79 0.55 0.08 -0.02 0.00 -0.84 -3.76 105.19 101.99 2d90 n GLY 78 Ca 0.15 -0.84 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 2d90 n GLY 78 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2d90 h ASP 79 N 3.67 0.00 -3.65 1.61 3.32 -1.86 -3.42 116.42 116.08 2d90 h ASP 79 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 2d90 h ASP 79 Cb 0.00 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.38 2d90 h ASP 79 CO 0.00 0.90 -0.76 0.00 -1.72 0.00 0.00 179.24 177.67 2d90 s GLN 80 N -2.74 2.09 -0.05 3.56 -2.07 -1.25 -0.31 119.66 118.88 2d90 s GLN 80 Ca 0.00 -1.02 -0.22 0.00 -1.82 0.00 0.00 55.36 52.30 2d90 s GLN 80 Cb 0.09 -2.27 0.05 0.00 -1.09 0.00 0.00 33.01 29.79 2d90 s GLN 80 CO 0.81 0.52 0.50 -0.08 -1.32 0.00 0.00 175.29 175.71 2d90 s THR 81 N -1.14 0.03 -0.02 3.63 -1.32 -0.82 -4.84 115.64 111.16 2d90 s THR 81 Ca 0.19 -0.21 -0.13 0.00 -1.21 0.00 0.00 61.69 60.34 2d90 s THR 81 Cb -0.11 -0.80 -0.05 0.00 -1.51 0.00 0.00 72.50 70.03 2d90 s THR 81 CO 0.11 -0.11 0.36 -0.89 -2.21 0.00 0.00 174.62 171.87 2d90 s THR 82 N -1.07 5.12 0.10 5.08 2.01 -1.26 -2.51 115.64 123.12 2d90 s THR 82 Ca -0.11 0.70 0.10 0.00 0.31 0.00 0.00 61.69 62.69 2d90 s THR 82 Cb -0.03 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2d90 s THR 82 CO 0.06 0.57 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.56 2d90 s LEU 83 N -1.11 2.40 -0.35 4.42 1.43 0.32 -0.09 118.68 125.70 2d90 s LEU 83 Ca 0.22 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 2d90 s LEU 83 Cb -0.16 -1.33 0.11 0.00 0.03 0.00 0.00 46.19 44.84 2d90 s LEU 83 CO 0.12 0.20 0.11 -0.22 0.23 0.00 0.00 176.35 176.79 2d90 s LEU 84 N -1.87 3.32 0.11 1.79 2.96 -0.68 -0.09 118.68 124.22 2d90 s LEU 84 Ca 0.14 -2.02 0.05 0.00 -0.22 0.00 0.00 54.13 52.08 2d90 s LEU 84 Cb -0.10 -1.20 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 2d90 s LEU 84 CO 0.06 -0.38 0.05 0.68 -1.32 0.00 0.00 176.35 175.45 2d90 s VAL 85 N 1.10 4.24 0.16 1.68 -7.23 -1.12 -2.37 120.40 116.87 2d90 s VAL 85 Ca 0.12 -0.99 -0.15 0.00 -1.81 0.00 0.00 61.98 59.15 2d90 s VAL 85 Cb -0.19 -3.07 -0.07 0.00 0.56 0.00 0.00 36.38 33.60 2d90 s VAL 85 CO -0.15 0.05 0.58 -0.76 -0.31 0.00 0.00 175.10 174.51 2d90 s LEU 86 N -2.57 4.34 -0.19 1.32 2.01 -1.11 -0.97 118.68 121.52 2d90 s LEU 86 Ca 0.28 1.14 0.10 0.00 0.01 0.00 0.00 54.13 55.67 2d90 s LEU 86 Cb -0.11 -3.32 -0.19 0.00 0.01 0.00 0.00 46.19 42.58 2d90 s LEU 86 CO 0.21 0.09 -0.03 0.47 1.01 0.00 0.00 176.35 178.09 2d90 n ASP 87 N 0.79 1.35 0.12 2.29 9.92 -1.26 -3.41 116.55 126.36 2d90 n ASP 87 Ca -0.05 -0.04 -0.06 0.00 -0.53 0.00 0.00 54.79 54.11 2d90 n ASP 87 Cb 0.52 0.46 -0.03 0.00 -0.64 0.00 0.00 41.12 41.42 2d90 n ASP 87 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2d90 h LYS 88 N 0.00 -0.36 -0.69 -1.24 1.79 -1.94 -3.19 116.57 110.93 2d90 h LYS 88 Ca -0.47 0.02 -0.30 0.00 -2.18 0.00 0.00 60.65 57.72 2d90 h LYS 88 Cb 1.94 0.08 -0.18 0.00 -1.58 0.00 0.00 32.23 32.49 2d90 h LYS 88 CO -0.01 -0.24 0.30 -0.85 -1.08 0.00 0.00 179.45 177.57 2d90 n GLU 89 N -3.32 2.57 -0.21 3.15 0.28 -1.26 -4.69 120.64 117.17 2d90 n GLU 89 Ca -0.05 -3.07 0.00 0.00 -0.16 0.00 0.00 57.16 53.89 2d90 n GLU 89 Cb 0.16 -2.06 0.08 0.00 1.43 0.00 0.00 31.44 31.06 2d90 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2d90 h ALA 90 N 1.50 0.52 -2.62 -1.84 0.00 -1.57 -3.41 119.26 111.83 2d90 h ALA 90 Ca 0.37 0.22 -0.57 0.00 0.00 0.00 0.00 54.91 54.93 2d90 h ALA 90 Cb 2.28 0.41 0.14 0.00 0.00 0.00 0.00 17.79 20.63 2d90 h ALA 90 CO 0.74 -0.42 0.17 0.39 0.00 0.00 0.00 179.25 180.13 2d90 n GLU 91 N -5.36 1.22 -3.89 0.00 -0.58 -1.26 -4.35 120.64 106.42 2d90 n GLU 91 Ca 0.08 0.45 -0.30 0.00 -0.42 0.00 0.00 57.16 56.98 2d90 n GLU 91 Cb 0.35 -2.12 -0.12 0.00 -0.57 0.00 0.00 31.44 28.97 2d90 n GLU 91 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2d90 s SER 92 N -0.92 4.77 0.36 1.62 0.15 -1.26 -5.07 113.70 113.35 2d90 s SER 92 Ca 0.68 -3.53 -0.24 0.00 0.70 0.00 0.00 55.95 53.56 2d90 s SER 92 Cb -0.49 -1.67 -0.14 0.00 -1.71 0.00 0.00 66.02 62.01 2d90 s SER 92 CO 0.53 -0.15 0.52 -0.38 1.20 0.00 0.00 173.24 174.96 2d90 n ILE 93 N 2.43 1.65 -4.36 6.45 2.08 -1.26 -4.99 119.36 121.35 2d90 n ILE 93 Ca 0.15 -0.50 -0.19 0.00 0.56 0.00 0.00 62.75 62.77 2d90 n ILE 93 Cb 0.34 -0.41 -0.10 0.00 -0.75 0.00 0.00 39.64 38.73 2d90 n ILE 93 CO 0.00 0.00 0.00 -0.72 0.56 0.00 0.00 176.55 176.39 2d90 s TYR 94 N -1.37 1.77 0.30 1.39 1.13 -1.26 -5.14 117.35 114.17 2d90 s TYR 94 Ca 0.62 -0.57 0.07 0.00 -1.41 0.00 0.00 57.07 55.78 2d90 s TYR 94 Cb -0.68 -0.83 -0.03 0.00 -1.10 0.00 0.00 41.96 39.31 2d90 s TYR 94 CO 0.59 0.37 0.24 0.45 -2.51 0.00 0.00 175.55 174.69 2d90 s SER 95 N -3.34 5.35 0.10 -0.18 0.15 -1.26 -5.14 113.70 109.39 2d90 s SER 95 Ca 0.24 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.51 2d90 s SER 95 Cb -0.01 -1.16 -0.04 0.00 -1.71 0.00 0.00 66.02 63.11 2d90 s SER 95 CO 0.08 -0.20 -0.07 -1.48 1.20 0.00 0.00 173.24 172.77 2d90 s LEU 96 N -3.91 2.51 -0.19 3.45 2.34 -1.26 -5.16 118.68 116.45 2d90 s LEU 96 Ca 0.37 -1.01 -0.15 0.00 0.06 0.00 0.00 54.13 53.40 2d90 s LEU 96 Cb -0.07 -0.11 0.06 0.00 -0.56 0.00 0.00 46.19 45.51 2d90 s LEU 96 CO 0.25 -0.45 0.50 -0.94 -1.06 0.00 0.00 176.35 174.66 2d90 s SER 97 N -3.06 -0.57 -0.42 1.48 1.04 -1.26 -5.12 113.70 105.79 2d90 s SER 97 Ca 0.12 1.04 0.05 0.00 0.48 0.00 0.00 55.95 57.65 2d90 s SER 97 Cb 0.05 1.00 0.17 0.00 0.10 0.00 0.00 66.02 67.35 2d90 s SER 97 CO -0.04 -0.19 0.52 -0.83 0.98 0.00 0.00 173.24 173.68 2d90 s GLY 98 N 0.72 -0.43 1.19 7.32 0.00 -1.26 -5.15 107.32 109.70 2d90 s GLY 98 Ca -0.04 -0.79 -0.19 0.00 0.00 0.00 0.00 44.72 43.70 2d90 s GLY 98 CO -0.05 3.09 1.11 2.56 0.00 0.00 0.00 173.10 179.81 2d90 s PRO 99 N 1.17 -1.09 -0.10 2.90 0.04 -1.26 -5.07 135.00 131.59 2d90 s PRO 99 Ca 0.22 -0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.27 2d90 s PRO 99 Cb -0.06 -1.61 0.01 0.00 0.04 0.00 0.00 34.50 32.89 2d90 s PRO 99 CO -0.07 -3.63 -0.15 -1.12 0.04 0.00 0.00 177.00 172.07 2d90 s SER 100 N -3.85 2.38 -0.02 6.66 0.01 -1.26 -5.13 113.70 112.49 2d90 s SER 100 Ca 0.70 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 57.58 2d90 s SER 100 Cb -0.11 -1.07 -0.00 0.00 0.21 0.00 0.00 66.02 65.06 2d90 s SER 100 CO 0.56 0.02 -0.10 -0.44 0.41 0.00 0.00 173.24 173.70 2d90 s SER 101 N 0.92 1.21 0.00 2.44 0.01 -1.26 -5.38 113.70 111.64 2d90 s SER 101 Ca -0.08 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2d90 s SER 101 Cb -0.15 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.85 2d90 s SER 101 CO -0.00 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.35