#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 3.08 -0.31 3.17 2.20 -1.26 -5.05 119.74 121.56 2ain s LYS 2 Ca 0.00 0.99 0.03 0.00 -0.36 0.00 0.00 55.97 56.63 2ain s LYS 2 Cb 0.00 -2.01 0.08 0.00 -1.51 0.00 0.00 37.83 34.39 2ain s LYS 2 CO 0.00 -0.99 0.00 -1.21 -0.36 0.00 0.00 175.35 172.79 2ain s GLU 3 N -4.84 1.89 0.03 4.03 2.02 -1.26 -5.12 118.70 115.44 2ain s GLU 3 Ca 0.59 -1.63 -0.00 0.00 0.02 0.00 0.00 54.97 53.95 2ain s GLU 3 Cb -0.14 -3.12 0.01 0.00 0.10 0.00 0.00 34.13 30.97 2ain s GLU 3 CO 0.51 -0.79 0.02 -0.35 0.02 0.00 0.00 175.26 174.67 2ain n PRO 4 N 4.38 -1.08 -3.73 0.39 -0.04 -1.26 -5.06 135.00 128.60 2ain n PRO 4 Ca -0.05 -0.04 -0.29 0.00 -0.04 0.00 0.00 63.50 63.08 2ain n PRO 4 Cb 0.42 -0.03 -0.15 0.00 -0.04 0.00 0.00 33.50 33.69 2ain n PRO 4 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ain s GLU 5 N -3.05 0.71 -0.14 0.54 2.12 -1.18 -5.00 118.70 112.69 2ain s GLU 5 Ca 0.01 -0.90 -0.14 0.00 0.36 0.00 0.00 54.97 54.30 2ain s GLU 5 Cb -0.00 -1.99 -0.05 0.00 0.26 0.00 0.00 34.13 32.36 2ain s GLU 5 CO 0.01 -0.90 0.32 0.42 -0.54 0.00 0.00 175.26 174.57 2ain s ILE 6 N 1.69 5.28 0.04 -3.70 1.01 -1.26 0.72 121.20 124.98 2ain s ILE 6 Ca 0.07 0.60 -0.15 0.00 0.00 0.00 0.00 60.65 61.17 2ain s ILE 6 Cb -0.17 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.67 2ain s ILE 6 CO -0.22 0.40 0.33 0.27 0.00 0.00 0.00 174.94 175.73 2ain s ILE 7 N 0.32 0.08 -0.07 2.92 -4.36 -0.81 -5.01 121.20 114.27 2ain s ILE 7 Ca 0.18 -0.63 0.04 0.00 -0.26 0.00 0.00 60.65 59.99 2ain s ILE 7 Cb -0.13 -0.94 -0.00 0.00 1.25 0.00 0.00 42.46 42.63 2ain s ILE 7 CO 0.05 -0.34 -0.21 -0.89 0.24 0.00 0.00 174.94 173.79 2ain s THR 8 N -2.55 1.80 -0.07 8.37 2.01 -1.26 -1.41 115.64 122.54 2ain s THR 8 Ca -0.05 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.10 2ain s THR 8 Cb -0.01 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.93 2ain s THR 8 CO -0.03 0.50 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.54 2ain s VAL 9 N 0.21 2.78 -0.37 3.82 1.01 -0.84 -4.97 120.40 122.05 2ain s VAL 9 Ca -0.12 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 2ain s VAL 9 Cb -0.15 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.15 2ain s VAL 9 CO 0.06 0.57 0.24 -0.89 0.00 0.00 0.00 175.10 175.08 2ain s THR 10 N -0.36 5.01 0.24 3.92 2.01 -1.26 -2.74 115.64 122.46 2ain s THR 10 Ca 0.03 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.48 2ain s THR 10 Cb -0.12 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 2ain s THR 10 CO 0.02 -0.17 0.08 -0.76 -0.69 0.00 0.00 174.62 173.10 2ain s LEU 11 N 1.65 1.73 0.22 4.42 1.43 -0.91 -4.95 118.68 122.27 2ain s LEU 11 Ca 0.04 -1.33 0.08 0.00 -1.03 0.00 0.00 54.13 51.89 2ain s LEU 11 Cb -0.18 0.02 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 2ain s LEU 11 CO 0.09 -0.70 0.05 -0.75 0.23 0.00 0.00 176.35 175.27 2ain s LYS 12 N -4.01 2.51 -1.34 1.70 2.47 -1.26 -0.42 119.74 119.39 2ain s LYS 12 Ca 0.35 -1.17 -0.11 0.00 -1.56 0.00 0.00 55.97 53.48 2ain s LYS 12 Cb 0.07 -2.36 0.12 0.00 -1.46 0.00 0.00 37.83 34.20 2ain s LYS 12 CO 0.11 0.42 2.01 1.63 0.16 0.00 0.00 175.35 179.68 2ain n LYS 13 N -0.57 3.40 -0.33 4.03 5.02 -1.07 -4.62 118.16 124.02 2ain n LYS 13 Ca -0.08 -3.21 0.23 0.00 -2.02 0.00 0.00 58.31 53.22 2ain n LYS 13 Cb 0.57 -3.03 0.45 0.00 -0.02 0.00 0.00 35.03 32.99 2ain n LYS 13 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 2ain h GLN 14 N 5.79 0.22 0.00 1.97 -0.00 -1.92 -3.33 115.11 117.83 2ain h GLN 14 Ca 0.46 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 59.01 2ain h GLN 14 Cb 0.62 -0.05 -0.08 0.00 -0.00 0.00 0.00 27.48 27.98 2ain h GLN 14 CO 1.71 0.15 -0.03 -1.71 -0.00 0.00 0.00 178.83 178.95 2ain n ASN 15 N -5.15 -0.86 0.00 0.06 5.15 -1.26 -5.15 115.26 108.05 2ain n ASN 15 Ca 0.30 -1.61 0.00 0.00 -0.60 0.00 0.00 54.58 52.67 2ain n ASN 15 Cb 0.97 0.57 0.00 0.00 -0.53 0.00 0.00 39.78 40.78 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 -0.55 2.29 0.08 8.20 0.00 -1.25 -4.92 105.19 109.03 2ain n GLY 16 Ca -0.13 -1.78 -0.12 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 -0.05 -4.81 1.61 2.86 -1.94 -3.36 114.93 109.24 2ain h MET 17 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2ain h MET 17 Cb 0.00 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2ain h MET 17 CO 0.00 0.61 -0.43 0.41 1.06 0.00 0.00 176.91 178.56 2ain n GLY 18 N 0.92 -1.41 3.72 8.32 0.00 -1.26 -3.97 105.19 111.51 2ain n GLY 18 Ca -0.09 0.94 -0.08 0.00 0.00 0.00 0.00 46.02 46.79 2ain n GLY 18 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ain n LEU 19 N -0.27 0.00 -4.21 0.99 -0.00 -1.26 0.90 117.00 113.15 2ain n LEU 19 Ca 0.09 -2.43 -0.26 0.00 -0.00 0.00 0.00 56.01 53.41 2ain n LEU 19 Cb 0.34 3.68 -0.15 0.00 -0.00 0.00 0.00 43.42 47.29 2ain n LEU 19 CO 0.38 -0.81 -0.51 -0.44 -0.00 0.00 0.00 177.39 176.01 2ain s SER 20 N -3.08 2.29 0.08 1.45 0.01 0.18 -4.83 113.70 109.80 2ain s SER 20 Ca 0.16 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 57.04 2ain s SER 20 Cb -0.05 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 2ain s SER 20 CO 0.11 0.20 -0.07 0.27 0.41 0.00 0.00 173.24 174.17 2ain s ILE 21 N -0.57 0.61 -0.01 1.44 -5.25 -1.26 -0.36 121.20 115.80 2ain s ILE 21 Ca 0.07 -1.71 -0.08 0.00 -0.99 0.00 0.00 60.65 57.95 2ain s ILE 21 Cb -0.08 -1.39 0.01 0.00 2.95 0.00 0.00 42.46 43.95 2ain s ILE 21 CO 0.00 -0.76 0.16 -0.69 -1.79 0.00 0.00 174.94 171.86 2ain s VAL 22 N -3.08 0.07 -0.18 8.37 1.01 0.14 -4.75 120.40 121.98 2ain s VAL 22 Ca 0.06 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 2ain s VAL 22 Cb 0.02 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 2ain s VAL 22 CO -0.04 -0.32 0.11 0.00 0.00 0.00 0.00 175.10 174.86 2ain s ALA 23 N -1.18 3.64 0.01 5.51 0.00 -1.26 0.58 121.76 129.06 2ain s ALA 23 Ca -0.13 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 2ain s ALA 23 Cb -0.06 -2.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.99 2ain s ALA 23 CO 0.02 0.26 0.01 0.00 0.00 0.00 0.00 175.76 176.04 2ain s ALA 24 N 0.09 0.00 0.49 0.00 0.00 -0.94 -4.99 121.76 116.41 2ain s ALA 24 Ca 0.08 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.73 2ain s ALA 24 Cb -0.11 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 2ain s ALA 24 CO -0.00 -0.12 0.04 1.17 0.00 0.00 0.00 175.76 176.85 2ain n LYS 25 N 2.03 0.71 0.00 0.00 4.81 -1.26 -3.29 118.16 121.16 2ain n LYS 25 Ca -0.20 -3.70 0.00 0.00 -0.87 0.00 0.00 58.31 53.54 2ain n LYS 25 Cb 0.57 1.25 0.00 0.00 0.02 0.00 0.00 35.03 36.86 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 -1.08 3.37 3.66 3.14 0.00 -1.26 -5.11 105.19 107.92 2ain n GLY 26 Ca -0.17 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.00 3.21 -1.35 4.61 0.00 -1.26 -4.55 121.76 121.41 2ain s ALA 27 Ca 0.00 -1.06 -0.08 0.00 0.00 0.00 0.00 51.96 50.82 2ain s ALA 27 Cb 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.93 2ain s ALA 27 CO 0.00 0.66 1.17 0.41 0.00 0.00 0.00 175.76 178.00 2ain n GLY 28 N 1.02 -0.53 2.73 0.00 0.00 -1.26 -4.99 105.19 102.17 2ain n GLY 28 Ca -0.13 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.25 0.71 -0.18 1.61 2.00 -1.26 -4.99 119.66 111.30 2ain s GLN 29 Ca 0.54 -0.67 0.05 0.00 -2.00 0.00 0.00 55.36 53.28 2ain s GLN 29 Cb -0.24 -2.04 0.41 0.00 0.80 0.00 0.00 33.01 31.94 2ain s GLN 29 CO 0.73 -0.77 1.31 -3.47 -0.50 0.00 0.00 175.29 172.60 2ain n ASP 30 N 4.98 3.49 -0.58 6.67 -0.08 -1.26 -4.87 116.55 124.89 2ain n ASP 30 Ca -0.07 -2.66 0.00 0.00 -1.51 0.00 0.00 54.79 50.55 2ain n ASP 30 Cb 0.45 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.27 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 0.02 0.00 -3.92 -0.67 4.76 -1.26 -4.87 118.16 112.22 2ain n LYS 31 Ca 0.23 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.52 2ain n LYS 31 Cb 0.93 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.96 2ain n LYS 31 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2ain s LEU 32 N 0.00 1.58 -0.18 -0.35 2.96 -1.26 -4.78 118.68 116.64 2ain s LEU 32 Ca 0.00 -0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.84 2ain s LEU 32 Cb 0.00 -0.12 -0.03 0.00 0.50 0.00 0.00 46.19 46.54 2ain s LEU 32 CO 0.00 -0.04 0.01 -0.83 -1.32 0.00 0.00 176.35 174.16 2ain s GLY 33 N 0.48 1.77 -0.73 7.98 0.00 -1.21 -3.12 107.32 112.49 2ain s GLY 33 Ca -0.04 -0.88 -0.17 0.00 0.00 0.00 0.00 44.72 43.62 2ain s GLY 33 CO -0.01 0.11 0.79 -0.42 0.00 0.00 0.00 173.10 173.57 2ain s ILE 34 N 0.67 5.10 0.81 0.90 1.09 -1.26 -2.22 121.20 126.29 2ain s ILE 34 Ca 0.00 -1.65 -0.12 0.00 -1.10 0.00 0.00 60.65 57.78 2ain s ILE 34 Cb -0.14 -4.53 0.08 0.00 -1.06 0.00 0.00 42.46 36.81 2ain s ILE 34 CO 0.02 -1.15 1.15 -0.31 -0.10 0.00 0.00 174.94 174.55 2ain s TYR 35 N 1.75 2.92 -0.16 3.97 1.51 0.20 -2.96 117.35 124.58 2ain s TYR 35 Ca 0.17 0.86 -0.08 0.00 -1.01 0.00 0.00 57.07 57.01 2ain s TYR 35 Cb -0.16 -3.37 -0.04 0.00 -0.11 0.00 0.00 41.96 38.28 2ain s TYR 35 CO -0.02 -1.79 0.11 0.08 -1.11 0.00 0.00 175.55 172.82 2ain s VAL 36 N -3.44 5.20 -0.23 0.71 1.01 0.22 0.29 120.40 124.15 2ain s VAL 36 Ca 0.62 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 2ain s VAL 36 Cb -0.12 -3.32 -0.19 0.00 0.00 0.00 0.00 36.38 32.75 2ain s VAL 36 CO 0.51 0.51 -0.09 1.17 0.00 0.00 0.00 175.10 177.21 2ain n LYS 37 N 2.93 0.67 -3.83 2.72 4.81 0.51 -1.46 118.16 124.51 2ain n LYS 37 Ca -0.18 0.19 -0.08 0.00 -0.87 0.00 0.00 58.31 57.38 2ain n LYS 37 Cb 0.53 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 34.02 2ain n LYS 37 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2ain s SER 38 N -6.70 -0.13 -0.05 3.14 0.01 -1.19 -4.58 113.70 104.20 2ain s SER 38 Ca -0.32 -0.85 -0.01 0.00 1.31 0.00 0.00 55.95 56.08 2ain s SER 38 Cb 0.09 0.77 0.03 0.00 0.21 0.00 0.00 66.02 67.12 2ain s SER 38 CO 0.64 -1.49 0.01 -0.69 0.41 0.00 0.00 173.24 172.12 2ain s VAL 39 N -3.11 0.24 0.49 3.43 1.01 -1.26 0.48 120.40 121.68 2ain s VAL 39 Ca 0.13 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 2ain s VAL 39 Cb -0.05 -0.39 -0.09 0.00 0.00 0.00 0.00 36.38 35.85 2ain s VAL 39 CO 0.09 0.21 0.98 -0.69 0.00 0.00 0.00 175.10 175.69 2ain s VAL 40 N 1.66 4.48 0.59 2.92 1.01 0.26 -4.92 120.40 126.40 2ain s VAL 40 Ca -0.00 1.29 -0.17 0.00 0.00 0.00 0.00 61.98 63.10 2ain s VAL 40 Cb -0.13 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2ain s VAL 40 CO -0.03 -0.58 1.09 -0.75 0.00 0.00 0.00 175.10 174.82 2ain s LYS 41 N -3.82 3.21 0.00 2.72 2.47 -1.26 -3.52 119.74 119.54 2ain s LYS 41 Ca 0.60 1.36 0.00 0.00 -1.56 0.00 0.00 55.97 56.37 2ain s LYS 41 Cb -0.10 -2.01 0.00 0.00 -1.46 0.00 0.00 37.83 34.26 2ain s LYS 41 CO 0.26 -0.92 0.00 0.41 0.16 0.00 0.00 175.35 175.27 2ain n GLY 42 N -0.53 0.52 3.93 5.54 0.00 -1.26 -4.96 105.19 108.44 2ain n GLY 42 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 1.62 0.24 -0.02 0.00 -1.23 -4.74 107.32 101.20 2ain s GLY 43 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 43.81 2ain s GLY 43 CO 0.00 -0.82 1.77 0.00 0.00 0.00 0.00 173.10 174.05 2ain h ALA 44 N 1.58 1.11 -0.19 3.20 0.00 -1.72 0.41 119.26 123.65 2ain h ALA 44 Ca -0.49 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 2ain h ALA 44 Cb 1.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2ain h ALA 44 CO 0.65 -0.06 -0.41 0.00 0.00 0.00 0.00 179.25 179.44 2ain h ALA 45 N 1.49 0.93 -0.06 0.00 0.00 -1.94 -2.23 119.26 117.46 2ain h ALA 45 Ca 0.40 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2ain h ALA 45 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ain h ALA 45 CO -0.31 0.63 -0.31 0.22 0.00 0.00 0.00 179.25 179.48 2ain h ASP 46 N 0.37 0.37 -0.06 0.00 3.58 -1.44 -1.75 116.42 117.49 2ain h ASP 46 Ca 0.03 -0.66 -0.00 0.00 0.42 0.00 0.00 57.03 56.82 2ain h ASP 46 Cb 0.88 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.82 2ain h ASP 46 CO 0.07 0.98 0.04 0.58 -2.88 0.00 0.00 179.24 178.03 2ain h VAL 47 N -0.21 1.06 -0.37 2.25 2.07 -0.25 -3.07 116.25 117.73 2ain h VAL 47 Ca -0.02 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2ain h VAL 47 Cb 0.98 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2ain h VAL 47 CO 0.06 0.05 0.08 -0.78 0.02 0.00 0.00 177.57 177.01 2ain h ASP 48 N 0.03 0.56 -0.95 0.57 3.58 -1.50 -3.47 116.42 115.24 2ain h ASP 48 Ca 0.02 -0.24 -0.15 0.00 0.42 0.00 0.00 57.03 57.09 2ain h ASP 48 Cb 0.05 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 2ain h ASP 48 CO -0.00 0.65 -0.18 0.61 -2.88 0.00 0.00 179.24 177.44 2ain n GLY 49 N -0.56 0.19 0.09 -0.78 0.00 -0.66 -4.95 105.19 98.52 2ain n GLY 49 Ca -0.01 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 2ain n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ain h ARG 50 N 0.00 0.15 -6.05 1.61 2.47 -1.90 -3.47 114.38 107.18 2ain h ARG 50 Ca -0.17 -0.22 -0.53 0.00 -1.26 0.00 0.00 59.98 57.80 2ain h ARG 50 Cb 1.04 0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 29.38 2ain h ARG 50 CO 0.21 1.06 -0.42 -0.48 0.56 0.00 0.00 179.97 180.90 2ain s LEU 51 N -8.19 3.25 0.35 3.04 0.05 -1.26 -5.12 118.68 110.80 2ain s LEU 51 Ca -0.16 -0.90 0.05 0.00 0.05 0.00 0.00 54.13 53.17 2ain s LEU 51 Cb -0.01 -1.77 -0.03 0.00 -2.05 0.00 0.00 46.19 42.33 2ain s LEU 51 CO 0.75 -0.63 0.20 0.00 -0.55 0.00 0.00 176.35 176.12 2ain s ALA 52 N -2.54 2.22 0.35 1.48 0.00 -1.26 -4.92 121.76 117.09 2ain s ALA 52 Ca 0.45 -1.71 -0.27 0.00 0.00 0.00 0.00 51.96 50.42 2ain s ALA 52 Cb -0.00 1.18 -0.09 0.00 0.00 0.00 0.00 23.12 24.20 2ain s ALA 52 CO 0.25 -0.53 1.21 0.00 0.00 0.00 0.00 175.76 176.69 2ain s ALA 53 N -3.42 3.33 0.00 0.00 0.00 -1.26 -4.06 121.76 116.35 2ain s ALA 53 Ca 0.34 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2ain s ALA 53 Cb 0.03 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2ain s ALA 53 CO 0.21 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2ain n GLY 54 N 0.82 0.80 3.18 0.00 0.00 -0.54 -5.02 105.19 104.44 2ain n GLY 54 Ca 0.02 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 2ain n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ain s ASP 55 N -2.29 1.95 0.41 1.61 1.11 -1.25 -4.44 116.67 113.77 2ain s ASP 55 Ca 0.00 -0.50 -0.15 0.00 0.18 0.00 0.00 52.55 52.08 2ain s ASP 55 Cb 0.00 -0.13 -0.08 0.00 1.07 0.00 0.00 42.92 43.77 2ain s ASP 55 CO 0.00 0.06 0.84 -1.58 1.18 0.00 0.00 175.17 175.68 2ain s GLN 56 N -1.24 3.96 0.09 8.23 -0.44 -1.24 -0.61 119.66 128.41 2ain s GLN 56 Ca 0.03 0.75 0.08 0.00 -2.50 0.00 0.00 55.36 53.72 2ain s GLN 56 Cb -0.08 -2.30 -0.04 0.00 -1.64 0.00 0.00 33.01 28.95 2ain s GLN 56 CO 0.02 -0.04 -0.15 -0.51 0.50 0.00 0.00 175.29 175.11 2ain s LEU 57 N -3.55 2.80 0.06 3.68 1.02 -1.15 -0.44 118.68 121.09 2ain s LEU 57 Ca 0.56 -0.46 0.00 0.00 0.02 0.00 0.00 54.13 54.25 2ain s LEU 57 Cb -0.10 -1.64 0.00 0.00 0.02 0.00 0.00 46.19 44.48 2ain s LEU 57 CO 0.24 0.20 0.00 0.18 0.02 0.00 0.00 176.35 177.00 2ain n LEU 58 N 0.99 0.55 -4.05 1.79 7.99 -0.52 -4.38 117.00 119.37 2ain n LEU 58 Ca -0.15 0.08 -0.11 0.00 -0.01 0.00 0.00 56.01 55.82 2ain n LEU 58 Cb 0.52 -0.16 -0.11 0.00 -0.11 0.00 0.00 43.42 43.56 2ain n LEU 58 CO 0.29 -0.40 -0.38 -0.94 -1.51 0.00 0.00 177.39 174.45 2ain s SER 59 N -5.50 0.67 -0.22 -1.43 1.04 -1.26 -1.83 113.70 105.18 2ain s SER 59 Ca 0.00 -0.63 -0.04 0.00 0.48 0.00 0.00 55.95 55.76 2ain s SER 59 Cb 0.00 0.08 0.09 0.00 0.10 0.00 0.00 66.02 66.29 2ain s SER 59 CO 0.00 -0.30 0.18 -0.69 0.98 0.00 0.00 173.24 173.41 2ain s VAL 60 N -1.91 -0.24 -1.25 5.02 1.01 -1.20 -0.66 120.40 121.17 2ain s VAL 60 Ca -0.08 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 2ain s VAL 60 Cb -0.07 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.60 2ain s VAL 60 CO -0.02 -0.33 1.09 -0.67 0.00 0.00 0.00 175.10 175.18 2ain n ASP 61 N 5.30 -5.39 -0.96 3.32 2.03 -0.78 -2.83 116.55 117.23 2ain n ASP 61 Ca -0.06 -0.52 -0.05 0.00 0.52 0.00 0.00 54.79 54.68 2ain n ASP 61 Cb 0.48 -4.80 0.01 0.00 -0.72 0.00 0.00 41.12 36.09 2ain n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ain n GLY 62 N -1.78 0.54 3.47 0.27 0.00 -1.26 -4.88 105.19 101.55 2ain n GLY 62 Ca -0.04 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 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 -5.00 1.66 -0.77 1.61 3.00 -1.13 -5.10 118.95 113.23 2ain s ARG 63 Ca 0.09 -1.80 -0.01 0.00 0.00 0.00 0.00 55.73 54.01 2ain s ARG 63 Cb -0.04 -1.60 0.19 0.00 0.00 0.00 0.00 34.95 33.50 2ain s ARG 63 CO 0.11 0.22 0.61 -1.12 0.00 0.00 0.00 175.30 175.12 2ain s SER 64 N -3.51 5.49 0.62 0.23 0.01 -1.26 -3.22 113.70 112.06 2ain s SER 64 Ca 0.30 -3.47 0.36 0.00 1.31 0.00 0.00 55.95 54.45 2ain s SER 64 Cb -0.01 -1.83 2.06 0.00 0.21 0.00 0.00 66.02 66.44 2ain s SER 64 CO 0.14 -0.22 2.29 -0.07 0.41 0.00 0.00 173.24 175.79 2ain h LEU 65 N 6.21 0.00 -8.33 2.44 3.38 -1.71 -3.39 115.31 113.91 2ain h LEU 65 Ca 0.10 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.53 2ain h LEU 65 Cb 0.85 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.52 2ain h LEU 65 CO 0.78 0.01 1.17 -0.69 0.09 0.00 0.00 178.44 179.80 2ain s VAL 66 N -4.34 3.69 0.00 1.22 1.01 -1.24 -3.40 120.40 117.34 2ain s VAL 66 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2ain s VAL 66 Cb 0.14 -4.78 0.00 0.00 0.00 0.00 0.00 36.38 31.74 2ain s VAL 66 CO 0.49 -1.71 0.00 0.61 0.00 0.00 0.00 175.10 174.49 2ain n GLY 67 N 5.75 1.65 3.41 4.51 0.00 -1.18 -4.71 105.19 114.61 2ain n GLY 67 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 0.67 0.66 0.99 0.05 -1.22 -4.86 118.68 114.97 2ain s LEU 68 Ca 0.00 -0.76 -0.11 0.00 0.05 0.00 0.00 54.13 53.31 2ain s LEU 68 Cb 0.00 1.50 -0.01 0.00 -2.05 0.00 0.00 46.19 45.63 2ain s LEU 68 CO 0.00 -0.95 1.06 -0.94 -0.55 0.00 0.00 176.35 174.96 2ain s SER 69 N -2.94 5.86 0.47 1.48 1.04 -1.26 -4.61 113.70 113.73 2ain s SER 69 Ca 0.15 1.32 0.17 0.00 0.48 0.00 0.00 55.95 58.07 2ain s SER 69 Cb 0.02 -2.26 1.14 0.00 0.10 0.00 0.00 66.02 65.02 2ain s SER 69 CO -0.00 -1.10 2.01 -0.61 0.98 0.00 0.00 173.24 174.52 2ain h GLN 70 N -0.48 0.25 -0.06 4.02 4.15 -1.98 0.14 115.11 121.15 2ain h GLN 70 Ca -0.44 -0.02 -0.18 0.00 0.77 0.00 0.00 58.65 58.78 2ain h GLN 70 Cb 1.22 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 2ain h GLN 70 CO 0.62 0.17 -0.75 0.93 -1.93 0.00 0.00 178.83 177.87 2ain h GLU 71 N 0.26 0.35 0.01 1.69 5.08 -1.99 -1.17 114.58 118.81 2ain h GLU 71 Ca 0.23 -0.30 -0.20 0.00 -1.00 0.00 0.00 59.36 58.08 2ain h GLU 71 Cb 0.57 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2ain h GLU 71 CO -0.05 0.95 -0.90 -0.09 -1.00 0.00 0.00 179.01 177.93 2ain h ARG 72 N 0.24 0.22 0.16 2.33 9.65 -1.45 -2.49 114.38 123.04 2ain h ARG 72 Ca -0.03 -0.25 -0.01 0.00 -1.10 0.00 0.00 59.98 58.59 2ain h ARG 72 Cb 1.33 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.98 2ain h ARG 72 CO 0.13 0.98 -0.08 0.00 2.80 0.00 0.00 179.97 183.80 2ain h ALA 73 N 0.93 -0.22 -0.77 2.80 0.00 -0.78 -2.81 119.26 118.40 2ain h ALA 73 Ca -0.05 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2ain h ALA 73 Cb 1.53 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.35 2ain h ALA 73 CO 0.14 -0.22 0.45 0.00 0.00 0.00 0.00 179.25 179.62 2ain h ALA 74 N -0.90 1.05 -0.88 0.00 0.00 -1.36 0.11 119.26 117.28 2ain h ALA 74 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ain h ALA 74 Cb 0.28 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2ain h ALA 74 CO 0.04 0.14 0.47 1.49 0.00 0.00 0.00 179.25 181.39 2ain h GLU 75 N 0.81 1.24 -0.07 0.00 4.57 -1.58 -0.93 114.58 118.62 2ain h GLU 75 Ca 0.35 -0.15 -0.13 0.00 -1.18 0.00 0.00 59.36 58.24 2ain h GLU 75 Cb 0.22 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2ain h GLU 75 CO -0.19 0.92 -0.55 -0.07 -1.18 0.00 0.00 179.01 177.93 2ain h LEU 76 N 1.24 0.22 0.14 1.64 3.38 -1.06 -2.34 115.31 118.54 2ain h LEU 76 Ca 0.31 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2ain h LEU 76 Cb 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2ain h LEU 76 CO -0.05 0.73 -0.07 0.24 0.09 0.00 0.00 178.44 179.38 2ain h MET 77 N 0.15 -0.18 -0.84 1.13 2.86 -0.47 -3.29 114.93 114.29 2ain h MET 77 Ca -0.00 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2ain h MET 77 Cb 1.02 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.68 2ain h MET 77 CO 0.08 0.27 0.51 0.00 1.06 0.00 0.00 176.91 178.84 2ain h THR 78 N -0.80 1.23 -0.85 2.22 1.03 -1.27 -3.04 112.91 111.43 2ain h THR 78 Ca -0.02 -0.49 -0.60 0.00 -0.01 0.00 0.00 66.41 65.29 2ain h THR 78 Cb 0.54 0.04 -0.11 0.00 -1.07 0.00 0.00 68.15 67.54 2ain h THR 78 CO 0.03 0.24 1.71 0.54 -0.01 0.00 0.00 175.52 178.03 2ain n ARG 79 N -4.38 3.54 -3.60 0.00 1.74 -0.88 -4.93 116.66 108.16 2ain n ARG 79 Ca 0.09 -2.69 -0.24 0.00 -0.77 0.00 0.00 57.85 54.24 2ain n ARG 79 Cb 0.06 -2.44 0.02 0.00 -1.02 0.00 0.00 32.46 29.07 2ain n ARG 79 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2ain s THR 80 N -0.80 1.82 0.00 0.55 -4.23 -1.15 -4.88 115.64 106.95 2ain s THR 80 Ca 0.59 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2ain s THR 80 Cb 0.26 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2ain s THR 80 CO -0.12 0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.42 2ain n SER 81 N -1.92 0.00 0.18 3.99 3.41 -1.26 -5.00 113.62 113.01 2ain n SER 81 Ca 0.04 -0.97 -0.14 0.00 -0.26 0.00 0.00 58.87 57.54 2ain n SER 81 Cb 0.63 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 2ain n SER 81 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ain h SER 82 N 0.00 -0.69 -3.49 4.04 0.02 -1.98 -3.42 113.55 108.03 2ain h SER 82 Ca 0.00 0.06 -0.53 0.00 -0.84 0.00 0.00 61.79 60.48 2ain h SER 82 Cb 0.00 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2ain h SER 82 CO 0.00 -0.38 0.16 -0.69 -1.14 0.00 0.00 176.83 174.78 2ain s VAL 83 N -6.07 4.44 0.09 2.27 1.01 -1.26 -2.58 120.40 118.30 2ain s VAL 83 Ca -0.16 1.66 0.06 0.00 0.00 0.00 0.00 61.98 63.53 2ain s VAL 83 Cb 0.06 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2ain s VAL 83 CO 0.64 0.51 -0.15 -0.69 0.00 0.00 0.00 175.10 175.41 2ain s VAL 84 N -1.00 1.24 -0.45 2.92 1.01 0.44 -4.88 120.40 119.68 2ain s VAL 84 Ca 0.36 -1.47 0.03 0.00 0.00 0.00 0.00 61.98 60.89 2ain s VAL 84 Cb -0.22 -1.28 0.16 0.00 0.00 0.00 0.00 36.38 35.03 2ain s VAL 84 CO 0.25 -0.28 0.33 -0.89 0.00 0.00 0.00 175.10 174.51 2ain s THR 85 N -1.57 0.89 -0.22 3.92 2.01 -1.26 -2.14 115.64 117.27 2ain s THR 85 Ca 0.03 -2.74 -0.20 0.00 0.31 0.00 0.00 61.69 59.08 2ain s THR 85 Cb -0.08 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 2ain s THR 85 CO 0.03 -1.11 0.61 -0.76 -0.69 0.00 0.00 174.62 172.71 2ain s LEU 86 N 0.03 4.11 -0.57 4.42 1.43 -1.11 -1.87 118.68 125.13 2ain s LEU 86 Ca 0.27 0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 54.01 2ain s LEU 86 Cb -0.06 -2.85 0.14 0.00 0.03 0.00 0.00 46.19 43.45 2ain s LEU 86 CO -0.13 -0.30 0.47 -0.70 0.23 0.00 0.00 176.35 175.93 2ain s GLU 87 N 2.11 2.83 0.63 1.70 2.12 0.16 -1.98 118.70 126.27 2ain s GLU 87 Ca 0.27 -1.94 0.01 0.00 0.36 0.00 0.00 54.97 53.67 2ain s GLU 87 Cb -0.16 -4.11 0.08 0.00 0.26 0.00 0.00 34.13 30.20 2ain s GLU 87 CO 0.10 -1.25 0.87 0.14 -0.54 0.00 0.00 175.26 174.58 2ain s VAL 88 N 1.10 2.39 -0.30 3.70 -7.23 -0.50 -1.44 120.40 118.12 2ain s VAL 88 Ca 0.08 -0.65 0.01 0.00 -1.81 0.00 0.00 61.98 59.61 2ain s VAL 88 Cb -0.24 -2.74 0.09 0.00 0.56 0.00 0.00 36.38 34.05 2ain s VAL 88 CO -0.01 0.00 0.05 0.00 -0.31 0.00 0.00 175.10 174.83 2ain s ALA 89 N -2.93 2.06 -0.48 1.32 0.00 0.41 -1.93 121.76 120.22 2ain s ALA 89 Ca 0.62 -1.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 2ain s ALA 89 Cb -0.08 -1.70 -0.09 0.00 0.00 0.00 0.00 23.12 21.25 2ain s ALA 89 CO 0.41 -1.58 2.38 1.17 0.00 0.00 0.00 175.76 178.14 2ain n LYS 90 N 4.62 1.09 -1.49 0.00 3.00 0.22 -3.61 118.16 121.99 2ain n LYS 90 Ca -0.02 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2ain n LYS 90 Cb 0.42 -3.00 0.00 0.00 0.00 0.00 0.00 35.03 32.46 2ain n LYS 90 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2ain n GLN 91 N 8.76 2.49 0.00 1.64 7.27 -1.26 -3.13 117.38 133.16 2ain n GLN 91 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.47 2ain n GLN 91 Cb 0.41 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.06 2ain n GLN 91 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2ain n GLY 92 N 5.00 1.37 0.53 1.69 0.00 -1.26 -5.01 105.19 107.51 2ain n GLY 92 Ca 0.00 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.35 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32