#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ain s LYS 2 N 0.00 3.06 -0.17 3.17 2.20 -1.26 -5.05 119.74 121.69 2ain s LYS 2 Ca 0.00 -2.11 -0.05 0.00 -0.36 0.00 0.00 55.97 53.45 2ain s LYS 2 Cb 0.00 -4.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 2ain s LYS 2 CO 0.00 -1.27 -0.01 -1.21 -0.36 0.00 0.00 175.35 172.51 2ain s GLU 3 N 0.80 3.74 1.33 4.03 2.02 -1.26 -5.11 118.70 124.25 2ain s GLU 3 Ca 0.11 -0.48 -0.19 0.00 0.02 0.00 0.00 54.97 54.43 2ain s GLU 3 Cb -0.21 -3.02 0.33 0.00 0.10 0.00 0.00 34.13 31.34 2ain s GLU 3 CO -0.03 0.21 0.85 -2.30 0.02 0.00 0.00 175.26 174.01 2ain n PRO 4 N 3.66 -3.71 -3.66 0.39 -0.02 -1.26 -4.97 135.00 125.42 2ain n PRO 4 Ca -0.17 -1.09 -0.30 0.00 -2.02 0.00 0.00 63.50 59.93 2ain n PRO 4 Cb 0.52 -1.98 -0.14 0.00 -0.02 0.00 0.00 33.50 31.88 2ain n PRO 4 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2ain s GLU 5 N -4.62 0.66 -0.18 -0.52 2.56 0.33 -4.92 118.70 112.01 2ain s GLU 5 Ca 0.66 -1.12 -0.29 0.00 0.00 0.00 0.00 54.97 54.21 2ain s GLU 5 Cb -0.17 -1.78 0.00 0.00 2.00 0.00 0.00 34.13 34.17 2ain s GLU 5 CO 0.60 -1.05 1.02 0.42 -0.56 0.00 0.00 175.26 175.70 2ain s ILE 6 N 1.47 4.73 -0.07 -3.70 1.09 -1.26 0.95 121.20 124.41 2ain s ILE 6 Ca 0.12 2.03 -0.06 0.00 -1.10 0.00 0.00 60.65 61.64 2ain s ILE 6 Cb -0.19 -4.31 0.02 0.00 -1.06 0.00 0.00 42.46 36.92 2ain s ILE 6 CO -0.21 -0.10 0.19 0.27 -0.10 0.00 0.00 174.94 174.99 2ain s ILE 7 N 2.69 -0.01 -0.23 2.92 -4.36 -0.21 -4.99 121.20 117.02 2ain s ILE 7 Ca 0.46 0.02 -0.10 0.00 -0.26 0.00 0.00 60.65 60.77 2ain s ILE 7 Cb -0.16 -0.27 -0.05 0.00 1.25 0.00 0.00 42.46 43.23 2ain s ILE 7 CO 0.11 0.01 0.14 -0.89 0.24 0.00 0.00 174.94 174.55 2ain s THR 8 N 0.24 5.31 -0.12 8.37 2.01 -1.26 -1.67 115.64 128.52 2ain s THR 8 Ca -0.01 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.15 2ain s THR 8 Cb -0.02 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 2ain s THR 8 CO -0.01 0.38 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.47 2ain s VAL 9 N 0.84 3.00 -0.23 3.82 1.01 -0.63 -4.96 120.40 123.24 2ain s VAL 9 Ca 0.07 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 2ain s VAL 9 Cb -0.13 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2ain s VAL 9 CO 0.02 0.53 0.07 -0.89 0.00 0.00 0.00 175.10 174.84 2ain s THR 10 N 0.21 4.47 0.06 3.92 2.01 -1.26 -2.04 115.64 123.01 2ain s THR 10 Ca -0.09 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.77 2ain s THR 10 Cb -0.15 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2ain s THR 10 CO 0.05 0.38 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.59 2ain s LEU 11 N 1.20 2.36 0.31 4.42 1.43 -0.21 -4.97 118.68 123.22 2ain s LEU 11 Ca 0.05 -0.97 0.06 0.00 -1.03 0.00 0.00 54.13 52.24 2ain s LEU 11 Cb -0.14 0.29 -0.02 0.00 0.03 0.00 0.00 46.19 46.35 2ain s LEU 11 CO 0.03 -0.62 0.40 -0.54 0.23 0.00 0.00 176.35 175.86 2ain s LYS 12 N -3.92 3.12 -0.68 1.70 1.02 -1.26 0.49 119.74 120.22 2ain s LYS 12 Ca 0.07 -1.00 -0.21 0.00 0.02 0.00 0.00 55.97 54.86 2ain s LYS 12 Cb 0.08 -2.77 0.09 0.00 -0.52 0.00 0.00 37.83 34.71 2ain s LYS 12 CO -0.10 0.17 0.89 0.15 -0.92 0.00 0.00 175.35 175.54 2ain s LYS 13 N -4.09 3.16 -0.07 1.68 1.02 -0.89 -4.68 119.74 115.88 2ain s LYS 13 Ca 0.41 -1.17 -0.22 0.00 0.02 0.00 0.00 55.97 55.01 2ain s LYS 13 Cb -0.09 -4.34 -0.18 0.00 -0.52 0.00 0.00 37.83 32.71 2ain s LYS 13 CO 0.30 -1.70 0.83 1.96 -0.92 0.00 0.00 175.35 175.81 2ain h GLN 14 N 9.29 -0.11 0.00 1.68 1.08 -1.96 -3.44 115.11 121.66 2ain h GLN 14 Ca -0.22 0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 56.84 2ain h GLN 14 Cb 1.07 0.02 -0.12 0.00 -0.05 0.00 0.00 27.48 28.41 2ain h GLN 14 CO 1.13 0.44 -0.16 -1.71 -0.95 0.00 0.00 178.83 177.58 2ain n ASN 15 N -4.82 -1.32 0.00 1.46 5.15 -1.26 -5.14 115.26 109.32 2ain n ASN 15 Ca -0.08 -2.00 0.00 0.00 -0.60 0.00 0.00 54.58 51.91 2ain n ASN 15 Cb 0.29 0.76 0.00 0.00 -0.53 0.00 0.00 39.78 40.30 2ain n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ain n GLY 16 N -0.80 2.71 0.40 8.20 0.00 -1.26 -4.94 105.19 109.51 2ain n GLY 16 Ca -0.12 -1.75 -0.15 0.00 0.00 0.00 0.00 46.02 43.99 2ain n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2ain h MET 17 N 0.00 -0.95 -3.71 1.61 2.86 -1.98 -3.38 114.93 109.38 2ain h MET 17 Ca 0.00 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2ain h MET 17 Cb 0.00 0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2ain h MET 17 CO 0.00 -0.63 -0.03 0.41 1.06 0.00 0.00 176.91 177.71 2ain n GLY 18 N -0.72 -0.65 3.82 8.32 0.00 -1.26 -3.96 105.19 110.73 2ain n GLY 18 Ca -0.12 0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 2ain n GLY 18 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ain s LEU 19 N -2.36 -0.02 0.00 0.99 0.05 -1.26 0.84 118.68 116.93 2ain s LEU 19 Ca 0.02 -1.04 0.05 0.00 0.05 0.00 0.00 54.13 53.21 2ain s LEU 19 Cb -0.00 2.74 -0.02 0.00 -2.05 0.00 0.00 46.19 46.86 2ain s LEU 19 CO 0.23 -1.57 -0.16 -0.44 -0.55 0.00 0.00 176.35 173.86 2ain s SER 20 N -3.10 1.94 0.13 1.48 0.01 0.14 -4.81 113.70 109.49 2ain s SER 20 Ca 0.16 -0.35 0.04 0.00 1.31 0.00 0.00 55.95 57.11 2ain s SER 20 Cb -0.05 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 2ain s SER 20 CO 0.10 0.17 -0.09 0.27 0.41 0.00 0.00 173.24 174.10 2ain s ILE 21 N -0.50 1.06 -0.02 1.44 -5.25 -1.26 -0.26 121.20 116.41 2ain s ILE 21 Ca 0.06 -2.02 -0.10 0.00 -0.99 0.00 0.00 60.65 57.59 2ain s ILE 21 Cb -0.07 -1.80 0.01 0.00 2.95 0.00 0.00 42.46 43.55 2ain s ILE 21 CO -0.00 -0.77 0.21 -0.69 -1.79 0.00 0.00 174.94 171.90 2ain s VAL 22 N -3.38 0.06 0.04 8.37 1.01 0.29 -4.71 120.40 122.08 2ain s VAL 22 Ca 0.15 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2ain s VAL 22 Cb 0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 2ain s VAL 22 CO -0.01 -0.27 0.09 0.00 0.00 0.00 0.00 175.10 174.92 2ain s ALA 23 N -1.08 3.62 -0.02 5.51 0.00 -1.25 0.54 121.76 129.08 2ain s ALA 23 Ca -0.12 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.75 2ain s ALA 23 Cb -0.06 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 21.55 2ain s ALA 23 CO 0.02 0.73 0.35 0.00 0.00 0.00 0.00 175.76 176.87 2ain s ALA 24 N -1.31 -0.90 0.51 0.00 0.00 -0.93 -4.91 121.76 114.22 2ain s ALA 24 Ca 0.27 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.69 2ain s ALA 24 Cb -0.12 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 2ain s ALA 24 CO 0.19 -0.27 0.03 1.17 0.00 0.00 0.00 175.76 176.87 2ain n LYS 25 N 1.26 0.70 0.00 0.00 4.81 -1.26 -1.19 118.16 122.49 2ain n LYS 25 Ca -0.21 -3.78 0.00 0.00 -0.87 0.00 0.00 58.31 53.44 2ain n LYS 25 Cb 0.56 1.18 0.00 0.00 0.02 0.00 0.00 35.03 36.79 2ain n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ain n GLY 26 N -1.20 3.77 3.62 3.14 0.00 -1.26 -5.04 105.19 108.22 2ain n GLY 26 Ca -0.19 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 2ain n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ain s ALA 27 N -1.09 3.10 -1.59 4.61 0.00 -1.26 -4.50 121.76 121.03 2ain s ALA 27 Ca 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 2ain s ALA 27 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.95 2ain s ALA 27 CO 0.00 0.63 0.07 0.41 0.00 0.00 0.00 175.76 176.87 2ain n GLY 28 N 1.39 -0.50 2.76 0.00 0.00 -1.26 -4.95 105.19 102.62 2ain n GLY 28 Ca -0.15 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 2ain n GLY 28 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ain s GLN 29 N -5.13 0.22 -0.28 1.61 -0.44 -1.26 -5.01 119.66 109.37 2ain s GLN 29 Ca 0.04 0.18 0.04 0.00 -2.50 0.00 0.00 55.36 53.12 2ain s GLN 29 Cb -0.02 -1.10 0.49 0.00 -1.64 0.00 0.00 33.01 30.75 2ain s GLN 29 CO 0.05 -0.70 1.58 -3.47 0.50 0.00 0.00 175.29 173.24 2ain n ASP 30 N 5.32 3.72 -1.10 6.67 -0.08 -1.26 -4.42 116.55 125.41 2ain n ASP 30 Ca -0.05 -3.01 0.00 0.00 -1.51 0.00 0.00 54.79 50.22 2ain n ASP 30 Cb 0.49 -0.71 0.00 0.00 2.34 0.00 0.00 41.12 43.24 2ain n ASP 30 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ain n LYS 31 N -0.39 2.71 -3.79 -0.67 4.01 -1.26 -4.83 118.16 113.94 2ain n LYS 31 Ca 0.36 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 58.04 2ain n LYS 31 Cb 1.23 0.00 -0.13 0.00 -0.51 0.00 0.00 35.03 35.62 2ain n LYS 31 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2ain s LEU 32 N 0.00 1.13 -0.32 -0.35 2.96 -1.26 -4.70 118.68 116.14 2ain s LEU 32 Ca 0.00 0.35 -0.14 0.00 -0.22 0.00 0.00 54.13 54.12 2ain s LEU 32 Cb 0.00 0.54 -0.02 0.00 0.50 0.00 0.00 46.19 47.21 2ain s LEU 32 CO 0.00 -0.09 0.30 -0.83 -1.32 0.00 0.00 176.35 174.41 2ain s GLY 33 N 0.44 1.92 -1.21 7.98 0.00 -0.33 -3.63 107.32 112.50 2ain s GLY 33 Ca -0.03 -1.19 -0.16 0.00 0.00 0.00 0.00 44.72 43.33 2ain s GLY 33 CO -0.02 0.87 1.52 -0.42 0.00 0.00 0.00 173.10 175.05 2ain s ILE 34 N 1.89 4.60 0.35 0.90 1.09 -1.25 -2.19 121.20 126.59 2ain s ILE 34 Ca 0.10 -2.17 -0.25 0.00 -1.10 0.00 0.00 60.65 57.23 2ain s ILE 34 Cb -0.17 -5.02 -0.10 0.00 -1.06 0.00 0.00 42.46 36.12 2ain s ILE 34 CO 0.11 -1.78 0.95 -0.31 -0.10 0.00 0.00 174.94 173.81 2ain s TYR 35 N 2.86 3.60 -0.17 3.97 2.02 0.19 -1.69 117.35 128.13 2ain s TYR 35 Ca 0.46 1.74 -0.26 0.00 -0.37 0.00 0.00 57.07 58.64 2ain s TYR 35 Cb -0.00 -2.92 -0.01 0.00 -0.40 0.00 0.00 41.96 38.63 2ain s TYR 35 CO 0.02 0.11 0.87 0.08 -1.57 0.00 0.00 175.55 175.06 2ain s VAL 36 N -1.73 4.85 -0.05 0.71 1.01 0.16 0.11 120.40 125.45 2ain s VAL 36 Ca 0.53 1.72 -0.18 0.00 0.00 0.00 0.00 61.98 64.04 2ain s VAL 36 Cb -0.17 -4.17 -0.31 0.00 0.00 0.00 0.00 36.38 31.73 2ain s VAL 36 CO 0.22 -0.00 0.78 0.50 0.00 0.00 0.00 175.10 176.60 2ain h LYS 37 N 7.34 0.33 0.00 2.72 1.63 -0.91 0.13 116.57 127.80 2ain h LYS 37 Ca -0.28 -0.56 0.17 0.00 -0.85 0.00 0.00 60.65 59.13 2ain h LYS 37 Cb 1.12 0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.93 2ain h LYS 37 CO 0.85 1.27 0.61 0.45 -3.45 0.00 0.00 179.45 179.19 2ain n SER 38 N -3.95 -1.72 -3.93 4.20 2.88 -1.18 -4.00 113.62 105.92 2ain n SER 38 Ca -0.19 -1.88 -0.21 0.00 -1.33 0.00 0.00 58.87 55.26 2ain n SER 38 Cb 0.91 2.79 -0.16 0.00 -0.75 0.00 0.00 64.21 67.00 2ain n SER 38 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ain s VAL 39 N -2.05 0.70 -0.03 2.46 1.01 -1.26 0.23 120.40 121.47 2ain s VAL 39 Ca 0.23 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.71 2ain s VAL 39 Cb -0.03 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 2ain s VAL 39 CO 0.05 0.26 0.88 -0.69 0.00 0.00 0.00 175.10 175.60 2ain s VAL 40 N 0.82 4.93 0.32 2.92 1.01 0.25 -4.90 120.40 125.74 2ain s VAL 40 Ca -0.13 1.84 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 2ain s VAL 40 Cb -0.15 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 31.90 2ain s VAL 40 CO 0.01 0.18 1.56 0.29 0.00 0.00 0.00 175.10 177.15 2ain n LYS 41 N 3.91 2.71 0.00 2.72 4.76 -1.26 -2.69 118.16 128.31 2ain n LYS 41 Ca 0.04 0.96 0.00 0.00 -2.87 0.00 0.00 58.31 56.43 2ain n LYS 41 Cb 0.51 -2.73 0.00 0.00 -1.84 0.00 0.00 35.03 30.97 2ain n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ain n GLY 42 N 1.57 2.35 3.73 0.72 0.00 -1.26 -5.07 105.19 107.23 2ain n GLY 42 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2ain n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ain s GLY 43 N -2.36 1.81 0.29 -0.02 0.00 -1.10 -4.81 107.32 101.14 2ain s GLY 43 Ca 0.00 0.48 0.01 0.00 0.00 0.00 0.00 44.72 45.21 2ain s GLY 43 CO 0.00 0.86 1.88 0.00 0.00 0.00 0.00 173.10 175.84 2ain h ALA 44 N -1.15 1.51 -0.11 3.20 0.00 -1.74 -1.43 119.26 119.53 2ain h ALA 44 Ca -0.44 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 2ain h ALA 44 Cb 1.25 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.80 2ain h ALA 44 CO 0.48 0.31 -0.84 0.00 0.00 0.00 0.00 179.25 179.20 2ain h ALA 45 N 1.51 0.29 -0.89 0.00 0.00 -1.91 -2.52 119.26 115.73 2ain h ALA 45 Ca 0.44 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ain h ALA 45 Cb 0.32 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2ain h ALA 45 CO -0.19 0.69 0.56 0.22 0.00 0.00 0.00 179.25 180.53 2ain h ASP 46 N 0.49 1.03 -0.06 0.00 1.82 -1.68 -2.21 116.42 115.82 2ain h ASP 46 Ca -0.07 -0.04 -0.21 0.00 -0.39 0.00 0.00 57.03 56.32 2ain h ASP 46 Cb 1.47 -0.26 0.01 0.00 0.68 0.00 0.00 39.33 41.23 2ain h ASP 46 CO 0.17 0.77 -0.76 0.58 -1.61 0.00 0.00 179.24 178.39 2ain h VAL 47 N 1.21 1.30 -0.69 2.25 2.07 -1.30 -3.25 116.25 117.83 2ain h VAL 47 Ca 0.32 -2.00 0.02 0.00 0.82 0.00 0.00 66.70 65.86 2ain h VAL 47 Cb -0.10 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 2ain h VAL 47 CO -0.07 0.63 0.45 -0.78 0.02 0.00 0.00 177.57 177.82 2ain h ASP 48 N 0.49 0.76 -2.16 0.57 3.58 -1.07 -3.47 116.42 115.11 2ain h ASP 48 Ca -0.04 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.25 2ain h ASP 48 Cb 1.37 -0.18 0.03 0.00 1.72 0.00 0.00 39.33 42.27 2ain h ASP 48 CO 0.15 0.54 -0.23 0.61 -2.88 0.00 0.00 179.24 177.43 2ain n GLY 49 N -1.29 0.29 0.13 -0.78 0.00 -0.87 -4.97 105.19 97.71 2ain n GLY 49 Ca 0.06 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 2ain n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ain n ARG 50 N -1.99 0.62 -3.16 1.61 1.74 -1.26 -5.01 116.66 109.20 2ain n ARG 50 Ca -0.03 0.24 -0.18 0.00 -0.77 0.00 0.00 57.85 57.11 2ain n ARG 50 Cb 0.54 -1.53 0.01 0.00 -1.02 0.00 0.00 32.46 30.46 2ain n ARG 50 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2ain s LEU 51 N -7.15 3.49 0.00 0.55 0.05 -1.26 -5.10 118.68 109.26 2ain s LEU 51 Ca -0.36 -0.58 0.02 0.00 0.05 0.00 0.00 54.13 53.26 2ain s LEU 51 Cb 0.12 -2.34 -0.01 0.00 -2.05 0.00 0.00 46.19 41.92 2ain s LEU 51 CO 0.55 -0.83 0.11 0.00 -0.55 0.00 0.00 176.35 175.63 2ain n ALA 52 N -1.83 0.12 -1.99 1.48 0.00 -1.26 -4.99 120.51 112.04 2ain n ALA 52 Ca 0.08 -0.60 -0.30 0.00 0.00 0.00 0.00 53.44 52.62 2ain n ALA 52 Cb 0.60 0.48 -0.01 0.00 0.00 0.00 0.00 19.45 20.52 2ain n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ain s ALA 53 N -2.28 3.19 -0.94 0.00 0.00 -1.26 -4.09 121.76 116.38 2ain s ALA 53 Ca 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.96 2ain s ALA 53 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.19 2ain s ALA 53 CO 0.08 -0.40 0.03 0.41 0.00 0.00 0.00 175.76 175.88 2ain n GLY 54 N -2.12 -0.08 2.80 0.00 0.00 0.43 -5.00 105.19 101.22 2ain n GLY 54 Ca 0.04 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 2ain n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ain n ASP 55 N -0.15 1.80 -4.29 1.61 8.00 -1.13 -4.74 116.55 117.65 2ain n ASP 55 Ca -0.13 -2.21 -0.22 0.00 0.71 0.00 0.00 54.79 52.95 2ain n ASP 55 Cb 0.60 -0.20 -0.12 0.00 -0.02 0.00 0.00 41.12 41.37 2ain n ASP 55 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2ain s GLN 56 N -3.80 1.16 -0.01 -1.24 0.74 -1.24 0.38 119.66 115.64 2ain s GLN 56 Ca 0.36 -1.26 0.03 0.00 0.05 0.00 0.00 55.36 54.54 2ain s GLN 56 Cb -0.03 -1.28 -0.03 0.00 1.10 0.00 0.00 33.01 32.77 2ain s GLN 56 CO 0.23 0.28 -0.10 -1.17 -0.55 0.00 0.00 175.29 173.98 2ain s LEU 57 N -2.28 3.01 -0.02 3.68 0.20 -0.68 -0.03 118.68 122.56 2ain s LEU 57 Ca 0.10 -0.17 -0.04 0.00 0.69 0.00 0.00 54.13 54.71 2ain s LEU 57 Cb -0.08 -1.70 -0.02 0.00 -0.43 0.00 0.00 46.19 43.96 2ain s LEU 57 CO 0.05 0.30 -0.09 0.18 -0.29 0.00 0.00 176.35 176.51 2ain n LEU 58 N 1.81 0.87 -4.02 -0.68 4.77 0.66 -4.44 117.00 115.95 2ain n LEU 58 Ca -0.16 0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 55.87 2ain n LEU 58 Cb 0.52 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.20 2ain n LEU 58 CO 0.28 -0.22 -0.36 -0.94 -1.33 0.00 0.00 177.39 174.83 2ain s SER 59 N -5.78 0.34 -0.17 -1.43 1.04 -1.18 -3.61 113.70 102.91 2ain s SER 59 Ca -0.08 -0.71 -0.02 0.00 0.48 0.00 0.00 55.95 55.62 2ain s SER 59 Cb 0.02 0.15 0.05 0.00 0.10 0.00 0.00 66.02 66.34 2ain s SER 59 CO 0.11 -0.43 -0.00 -0.69 0.98 0.00 0.00 173.24 173.20 2ain s VAL 60 N -2.53 0.79 -1.48 5.02 1.01 -0.43 -0.72 120.40 122.06 2ain s VAL 60 Ca -0.06 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 2ain s VAL 60 Cb -0.02 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.26 2ain s VAL 60 CO -0.05 -0.04 0.61 0.47 0.00 0.00 0.00 175.10 176.09 2ain n ASP 61 N 4.97 -5.52 -0.34 3.32 9.92 0.08 -1.76 116.55 127.22 2ain n ASP 61 Ca -0.10 -0.33 -0.02 0.00 -0.53 0.00 0.00 54.79 53.81 2ain n ASP 61 Cb 0.47 -4.47 0.00 0.00 -0.64 0.00 0.00 41.12 36.48 2ain n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ain n GLY 62 N -1.46 0.39 3.20 0.44 0.00 -1.26 -4.98 105.19 101.52 2ain n GLY 62 Ca -0.08 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 2ain n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ain s ARG 63 N -4.30 0.93 -0.09 1.61 0.52 -0.72 -5.14 118.95 111.76 2ain s ARG 63 Ca 0.01 -0.99 -0.17 0.00 -0.52 0.00 0.00 55.73 54.06 2ain s ARG 63 Cb -0.00 -1.01 -0.05 0.00 0.52 0.00 0.00 34.95 34.40 2ain s ARG 63 CO 0.01 0.23 0.46 0.45 0.02 0.00 0.00 175.30 176.47 2ain s SER 64 N -1.69 6.72 -0.11 0.23 0.15 -1.26 -1.31 113.70 116.42 2ain s SER 64 Ca 0.01 0.85 0.11 0.00 0.70 0.00 0.00 55.95 57.62 2ain s SER 64 Cb -0.10 -2.28 -0.16 0.00 -1.71 0.00 0.00 66.02 61.78 2ain s SER 64 CO 0.03 0.09 0.07 0.18 1.20 0.00 0.00 173.24 174.81 2ain n LEU 65 N 3.17 0.00 -4.55 3.45 4.32 -1.24 -4.89 117.00 117.26 2ain n LEU 65 Ca -0.09 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.55 2ain n LEU 65 Cb 0.52 0.27 -0.03 0.00 -1.62 0.00 0.00 43.42 42.55 2ain n LEU 65 CO 0.42 0.27 1.93 -0.69 -1.22 0.00 0.00 177.39 178.09 2ain s VAL 66 N -2.37 3.04 0.00 4.08 1.01 -1.26 -1.97 120.40 122.93 2ain s VAL 66 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2ain s VAL 66 Cb 0.04 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2ain s VAL 66 CO 0.51 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2ain n GLY 67 N 6.04 3.01 3.93 4.51 0.00 -1.24 -4.65 105.19 116.79 2ain n GLY 67 Ca 0.36 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 2ain n GLY 67 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ain s LEU 68 N 0.00 3.22 0.76 0.99 0.05 -0.83 -4.53 118.68 118.33 2ain s LEU 68 Ca 0.00 0.50 -0.11 0.00 0.05 0.00 0.00 54.13 54.57 2ain s LEU 68 Cb 0.00 -3.30 0.05 0.00 -2.05 0.00 0.00 46.19 40.88 2ain s LEU 68 CO 0.00 -1.13 1.08 -0.55 -0.55 0.00 0.00 176.35 175.20 2ain s SER 69 N -4.35 4.75 0.23 1.48 0.15 -1.26 -4.55 113.70 110.15 2ain s SER 69 Ca 0.55 1.65 -0.06 0.00 0.70 0.00 0.00 55.95 58.78 2ain s SER 69 Cb -0.10 -2.42 0.38 0.00 -1.71 0.00 0.00 66.02 62.17 2ain s SER 69 CO 0.43 -1.85 1.76 -0.61 1.20 0.00 0.00 173.24 174.17 2ain h GLN 70 N -1.00 0.52 -0.89 5.44 4.15 -1.97 0.20 115.11 121.56 2ain h GLN 70 Ca -0.45 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.93 2ain h GLN 70 Cb 1.23 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.76 2ain h GLN 70 CO 0.55 0.34 0.50 0.93 -1.93 0.00 0.00 178.83 179.22 2ain h GLU 71 N 0.53 1.23 -0.21 1.69 4.39 -1.99 0.14 114.58 120.37 2ain h GLU 71 Ca 0.37 -0.13 -0.15 0.00 0.34 0.00 0.00 59.36 59.79 2ain h GLU 71 Cb 0.46 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2ain h GLU 71 CO -0.32 0.89 -0.48 0.00 -1.16 0.00 0.00 179.01 177.94 2ain h ARG 72 N 1.23 0.54 0.37 2.33 2.47 -1.47 -1.81 114.38 118.05 2ain h ARG 72 Ca 0.31 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 2ain h ARG 72 Cb 0.01 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2ain h ARG 72 CO -0.05 0.90 -0.18 0.00 0.56 0.00 0.00 179.97 181.21 2ain h ALA 73 N 1.05 -0.53 -1.00 0.04 0.00 -0.16 -2.39 119.26 116.27 2ain h ALA 73 Ca 0.02 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.96 2ain h ALA 73 Cb 1.00 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 2ain h ALA 73 CO 0.09 -0.49 0.63 0.00 0.00 0.00 0.00 179.25 179.47 2ain h ALA 74 N -1.23 1.56 0.01 0.00 0.00 -0.84 -1.85 119.26 116.91 2ain h ALA 74 Ca -0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ain h ALA 74 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2ain h ALA 74 CO 0.08 0.18 -0.00 1.49 0.00 0.00 0.00 179.25 181.00 2ain h GLU 75 N 0.95 -0.01 -0.47 0.00 4.81 -1.41 -1.89 114.58 116.55 2ain h GLU 75 Ca 0.50 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.82 2ain h GLU 75 Cb 0.55 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2ain h GLU 75 CO -0.27 0.12 0.32 -0.07 -0.73 0.00 0.00 179.01 178.37 2ain h LEU 76 N -0.14 0.22 0.40 1.64 3.38 -0.82 0.42 115.31 120.40 2ain h LEU 76 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2ain h LEU 76 Cb 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2ain h LEU 76 CO 0.00 0.14 -0.19 0.24 0.09 0.00 0.00 178.44 178.72 2ain h MET 77 N 0.25 -0.51 -0.44 1.13 2.86 -0.97 -3.27 114.93 113.98 2ain h MET 77 Ca 0.21 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.91 2ain h MET 77 Cb 0.52 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 2ain h MET 77 CO -0.04 -0.28 0.29 0.00 1.06 0.00 0.00 176.91 177.94 2ain h THR 78 N -1.09 1.07 -0.66 2.22 1.03 -1.17 -2.84 112.91 111.47 2ain h THR 78 Ca -0.05 -0.18 -0.44 0.00 -0.01 0.00 0.00 66.41 65.72 2ain h THR 78 Cb 0.47 0.49 -0.12 0.00 -1.07 0.00 0.00 68.15 67.93 2ain h THR 78 CO 0.09 0.10 0.65 0.54 -0.01 0.00 0.00 175.52 176.88 2ain n ARG 79 N -4.48 2.64 -3.68 0.00 1.74 0.12 -4.91 116.66 108.10 2ain n ARG 79 Ca 0.04 -2.04 -0.24 0.00 -0.77 0.00 0.00 57.85 54.84 2ain n ARG 79 Cb 0.11 -2.21 -0.00 0.00 -1.02 0.00 0.00 32.46 29.34 2ain n ARG 79 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2ain n THR 80 N 1.70 0.00 -1.47 0.55 -2.24 -1.08 -4.88 114.28 106.86 2ain n THR 80 Ca 0.51 -2.03 -0.12 0.00 -2.27 0.00 0.00 64.05 60.15 2ain n THR 80 Cb 0.61 -0.05 0.08 0.00 -2.10 0.00 0.00 70.33 68.87 2ain n THR 80 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2ain n SER 81 N -1.83 0.09 -0.26 3.42 7.64 -1.26 -4.95 113.62 116.47 2ain n SER 81 Ca -0.02 -1.22 0.04 0.00 1.01 0.00 0.00 58.87 58.68 2ain n SER 81 Cb 0.58 -0.41 0.18 0.00 -1.01 0.00 0.00 64.21 63.55 2ain n SER 81 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2ain h SER 82 N -0.68 0.35 -3.05 6.43 4.64 -1.99 -3.40 113.55 115.84 2ain h SER 82 Ca -0.17 0.10 -0.60 0.00 -0.47 0.00 0.00 61.79 60.64 2ain h SER 82 Cb 0.49 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 2ain h SER 82 CO 0.13 0.15 -0.18 -0.69 -0.87 0.00 0.00 176.83 175.37 2ain s VAL 83 N -6.02 4.99 -0.17 0.95 1.01 -1.26 -2.09 120.40 117.81 2ain s VAL 83 Ca -0.12 0.87 0.01 0.00 0.00 0.00 0.00 61.98 62.74 2ain s VAL 83 Cb 0.20 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2ain s VAL 83 CO 0.76 0.55 -0.20 -0.69 0.00 0.00 0.00 175.10 175.53 2ain s VAL 84 N -1.11 2.03 -0.83 2.92 1.01 0.18 -4.97 120.40 119.63 2ain s VAL 84 Ca 0.25 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2ain s VAL 84 Cb -0.17 -1.83 0.20 0.00 0.00 0.00 0.00 36.38 34.59 2ain s VAL 84 CO 0.14 0.54 0.69 -0.89 0.00 0.00 0.00 175.10 175.58 2ain s THR 85 N 1.18 3.93 -0.23 3.92 2.01 -1.26 -1.04 115.64 124.16 2ain s THR 85 Ca 0.02 -3.93 -0.20 0.00 0.31 0.00 0.00 61.69 57.89 2ain s THR 85 Cb -0.14 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 2ain s THR 85 CO -0.10 -1.05 0.59 -0.22 -0.69 0.00 0.00 174.62 173.15 2ain s LEU 86 N -1.31 4.10 -0.45 4.42 2.96 -0.87 -0.74 118.68 126.78 2ain s LEU 86 Ca 0.26 0.71 -0.12 0.00 -0.22 0.00 0.00 54.13 54.77 2ain s LEU 86 Cb -0.07 -2.81 0.09 0.00 0.50 0.00 0.00 46.19 43.90 2ain s LEU 86 CO -0.13 -0.29 0.33 -0.70 -1.32 0.00 0.00 176.35 174.24 2ain s GLU 87 N 2.14 2.73 0.43 1.98 2.12 0.10 -1.61 118.70 126.59 2ain s GLU 87 Ca 0.26 -1.50 0.08 0.00 0.36 0.00 0.00 54.97 54.17 2ain s GLU 87 Cb -0.16 -3.95 0.01 0.00 0.26 0.00 0.00 34.13 30.29 2ain s GLU 87 CO 0.09 -1.04 0.52 0.14 -0.54 0.00 0.00 175.26 174.43 2ain s VAL 88 N 1.49 2.80 -0.43 3.70 -7.23 -0.67 -0.25 120.40 119.81 2ain s VAL 88 Ca 0.04 -1.12 -0.01 0.00 -1.81 0.00 0.00 61.98 59.08 2ain s VAL 88 Cb -0.24 -2.91 0.12 0.00 0.56 0.00 0.00 36.38 33.90 2ain s VAL 88 CO 0.03 0.00 0.21 0.00 -0.31 0.00 0.00 175.10 175.03 2ain s ALA 89 N -2.42 3.17 0.12 1.32 0.00 0.95 -1.04 121.76 123.87 2ain s ALA 89 Ca 0.53 -2.68 -0.31 0.00 0.00 0.00 0.00 51.96 49.50 2ain s ALA 89 Cb -0.07 -2.35 -0.10 0.00 0.00 0.00 0.00 23.12 20.60 2ain s ALA 89 CO 0.32 -1.83 1.70 0.21 0.00 0.00 0.00 175.76 176.15 2ain s LYS 90 N 0.84 4.17 0.24 0.00 2.20 0.27 -3.73 119.74 123.74 2ain s LYS 90 Ca 0.10 2.45 -0.10 0.00 -0.36 0.00 0.00 55.97 58.07 2ain s LYS 90 Cb -0.22 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.64 2ain s LYS 90 CO -0.05 -0.74 0.40 1.14 -0.36 0.00 0.00 175.35 175.74 2ain s GLN 91 N 2.20 1.48 0.00 4.03 -2.07 -1.26 -0.52 119.66 123.53 2ain s GLN 91 Ca 0.75 -1.37 0.27 0.00 -1.82 0.00 0.00 55.36 53.20 2ain s GLN 91 Cb -0.44 0.42 0.95 0.00 -1.09 0.00 0.00 33.01 32.85 2ain s GLN 91 CO 0.33 -0.59 1.70 0.41 -1.32 0.00 0.00 175.29 175.82 2ain n GLY 92 N -0.36 -1.05 3.51 2.60 0.00 -1.26 -4.99 105.19 103.63 2ain n GLY 92 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32