#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ain n LYS 2 N 0.00 -2.94 -2.12 0.03 4.81 -1.26 -4.90 118.16 111.79 2ain n LYS 2 Ca 0.00 2.43 -0.43 0.00 -0.87 0.00 0.00 58.31 59.44 2ain n LYS 2 Cb 0.00 -4.80 -0.03 0.00 0.02 0.00 0.00 35.03 30.22 2ain n LYS 2 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2ain s GLU 3 N -1.49 3.97 0.00 1.64 0.41 -1.26 -5.01 118.70 116.97 2ain s GLU 3 Ca 0.02 1.83 0.00 0.00 -0.41 0.00 0.00 54.97 56.40 2ain s GLU 3 Cb -0.01 -3.98 0.00 0.00 -1.78 0.00 0.00 34.13 28.36 2ain s GLU 3 CO 0.67 -1.07 0.00 -2.30 -0.49 0.00 0.00 175.26 172.07 2ain n PRO 4 N 7.35 0.11 -3.35 0.39 -0.02 -1.26 -4.93 135.00 133.30 2ain n PRO 4 Ca 0.18 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 61.20 2ain n PRO 4 Cb 0.44 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.91 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 -1.03 3.79 -0.18 -0.52 2.12 -1.26 -5.02 118.70 116.60 2ain s GLU 5 Ca 0.00 -2.75 -0.14 0.00 0.36 0.00 0.00 54.97 52.45 2ain s GLU 5 Cb 0.00 -4.45 -0.05 0.00 0.26 0.00 0.00 34.13 29.89 2ain s GLU 5 CO 0.00 -1.27 0.29 0.42 -0.54 0.00 0.00 175.26 174.16 2ain s ILE 6 N -0.37 5.29 0.04 -3.70 1.09 -1.26 -0.48 121.20 121.81 2ain s ILE 6 Ca 0.23 0.52 -0.04 0.00 -1.10 0.00 0.00 60.65 60.26 2ain s ILE 6 Cb -0.10 -3.63 -0.02 0.00 -1.06 0.00 0.00 42.46 37.65 2ain s ILE 6 CO -0.09 0.35 0.06 0.27 -0.10 0.00 0.00 174.94 175.43 2ain s ILE 7 N 0.77 0.15 -0.12 2.92 -4.36 -0.51 -4.98 121.20 115.07 2ain s ILE 7 Ca 0.15 -1.26 0.03 0.00 -0.26 0.00 0.00 60.65 59.32 2ain s ILE 7 Cb -0.13 -1.01 -0.00 0.00 1.25 0.00 0.00 42.46 42.56 2ain s ILE 7 CO 0.05 -0.69 -0.21 0.28 0.24 0.00 0.00 174.94 174.60 2ain s THR 8 N -2.90 2.29 -0.90 8.37 -1.32 -1.26 0.11 115.64 120.03 2ain s THR 8 Ca -0.02 -0.93 -0.20 0.00 -1.21 0.00 0.00 61.69 59.33 2ain s THR 8 Cb 0.01 -1.91 0.11 0.00 -1.51 0.00 0.00 72.50 69.20 2ain s THR 8 CO -0.06 0.55 1.15 -0.69 -2.21 0.00 0.00 174.62 173.36 2ain s VAL 9 N 0.46 4.54 -0.60 5.08 1.01 -0.77 -4.87 120.40 125.25 2ain s VAL 9 Ca -0.15 -1.26 -0.27 0.00 0.00 0.00 0.00 61.98 60.31 2ain s VAL 9 Cb -0.17 -4.81 0.03 0.00 0.00 0.00 0.00 36.38 31.44 2ain s VAL 9 CO 0.06 -1.56 1.15 -0.89 0.00 0.00 0.00 175.10 173.85 2ain s THR 10 N 3.25 4.06 0.31 3.92 2.01 -1.26 -3.86 115.64 124.08 2ain s THR 10 Ca 0.33 0.69 0.06 0.00 0.31 0.00 0.00 61.69 63.07 2ain s THR 10 Cb -0.06 -4.71 -0.03 0.00 0.01 0.00 0.00 72.50 67.71 2ain s THR 10 CO -0.06 -1.36 0.24 -0.76 -0.69 0.00 0.00 174.62 171.99 2ain s LEU 11 N 4.82 1.66 0.13 4.42 1.43 -0.71 -4.97 118.68 125.46 2ain s LEU 11 Ca 0.39 -1.69 0.03 0.00 -1.03 0.00 0.00 54.13 51.83 2ain s LEU 11 Cb -0.09 0.49 -0.04 0.00 0.03 0.00 0.00 46.19 46.58 2ain s LEU 11 CO 0.22 -1.02 0.17 -0.75 0.23 0.00 0.00 176.35 175.21 2ain s LYS 12 N -3.58 3.12 -0.50 1.70 2.20 -1.26 0.60 119.74 122.00 2ain s LYS 12 Ca 0.40 -0.69 -0.26 0.00 -0.36 0.00 0.00 55.97 55.05 2ain s LYS 12 Cb 0.03 -2.81 -0.05 0.00 -1.51 0.00 0.00 37.83 33.49 2ain s LYS 12 CO 0.24 0.53 2.25 0.21 -0.36 0.00 0.00 175.35 178.22 2ain s LYS 13 N -2.89 2.31 -1.12 4.03 2.47 -0.46 -4.87 119.74 119.22 2ain s LYS 13 Ca 0.32 1.24 -0.09 0.00 -1.56 0.00 0.00 55.97 55.87 2ain s LYS 13 Cb -0.11 -4.52 0.27 0.00 -1.46 0.00 0.00 37.83 32.01 2ain s LYS 13 CO 0.25 -3.06 1.13 -1.14 0.16 0.00 0.00 175.35 172.69 2ain s GLN 14 N 7.81 4.19 -1.47 4.03 -0.44 -1.26 -4.60 119.66 127.92 2ain s GLN 14 Ca 0.90 -3.17 -0.07 0.00 -2.50 0.00 0.00 55.36 50.52 2ain s GLN 14 Cb -0.17 -4.59 0.03 0.00 -1.64 0.00 0.00 33.01 26.64 2ain s GLN 14 CO 0.25 -1.27 0.61 0.09 0.50 0.00 0.00 175.29 175.47 2ain n ASN 15 N 2.89 -5.39 0.00 6.67 4.13 -1.26 -3.93 115.26 118.37 2ain n ASN 15 Ca 0.24 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.16 2ain n ASN 15 Cb 0.39 -4.37 0.00 0.00 -1.54 0.00 0.00 39.78 34.26 2ain n ASN 15 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ain n GLY 16 N -1.45 2.18 0.17 7.41 0.00 -1.26 -4.84 105.19 107.40 2ain n GLY 16 Ca -0.07 -1.91 -0.20 0.00 0.00 0.00 0.00 46.02 43.83 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 0.57 -5.03 1.61 2.86 -1.95 -2.56 114.93 110.44 2ain h MET 17 Ca 0.00 -0.75 0.00 0.00 -2.06 0.00 0.00 59.70 56.89 2ain h MET 17 Cb 0.00 0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2ain h MET 17 CO 0.00 1.33 -0.02 0.41 1.06 0.00 0.00 176.91 179.69 2ain n GLY 18 N 1.31 -1.11 3.82 8.32 0.00 -1.26 -2.74 105.19 113.54 2ain n GLY 18 Ca -0.12 0.40 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.66 -0.06 -0.04 0.99 0.05 -1.26 0.81 118.68 115.51 2ain s LEU 19 Ca 0.01 -0.99 0.01 0.00 0.05 0.00 0.00 54.13 53.21 2ain s LEU 19 Cb -0.00 2.77 0.02 0.00 -2.05 0.00 0.00 46.19 46.93 2ain s LEU 19 CO 0.64 -1.56 -0.04 -0.44 -0.55 0.00 0.00 176.35 174.40 2ain s SER 20 N -3.05 0.90 0.17 1.48 0.01 0.28 -4.77 113.70 108.71 2ain s SER 20 Ca 0.15 -0.11 0.10 0.00 1.31 0.00 0.00 55.95 57.40 2ain s SER 20 Cb -0.05 -0.42 -0.04 0.00 0.21 0.00 0.00 66.02 65.72 2ain s SER 20 CO 0.10 -0.07 -0.23 0.27 0.41 0.00 0.00 173.24 173.73 2ain s ILE 21 N 0.97 2.14 -0.00 1.44 -5.25 -1.26 0.57 121.20 119.80 2ain s ILE 21 Ca -0.10 -1.91 -0.03 0.00 -0.99 0.00 0.00 60.65 57.61 2ain s ILE 21 Cb -0.14 -1.97 -0.00 0.00 2.95 0.00 0.00 42.46 43.29 2ain s ILE 21 CO -0.00 -0.13 0.06 -0.69 -1.79 0.00 0.00 174.94 172.39 2ain s VAL 22 N -1.63 0.07 0.04 8.37 1.01 -0.51 -4.79 120.40 122.97 2ain s VAL 22 Ca 0.17 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2ain s VAL 22 Cb -0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2ain s VAL 22 CO 0.08 -0.31 0.03 0.00 0.00 0.00 0.00 175.10 174.90 2ain s ALA 23 N -0.98 3.39 0.05 5.51 0.00 -1.26 -1.33 121.76 127.14 2ain s ALA 23 Ca -0.11 -1.00 -0.13 0.00 0.00 0.00 0.00 51.96 50.72 2ain s ALA 23 Cb -0.06 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.72 2ain s ALA 23 CO 0.00 0.69 0.30 0.00 0.00 0.00 0.00 175.76 176.75 2ain s ALA 24 N -1.22 -0.66 0.52 0.00 0.00 -1.24 -4.97 121.76 114.19 2ain s ALA 24 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2ain s ALA 24 Cb -0.12 0.33 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 2ain s ALA 24 CO 0.15 -0.42 0.00 0.21 0.00 0.00 0.00 175.76 175.71 2ain s LYS 25 N -2.60 2.22 0.00 0.00 2.20 -1.26 -3.25 119.74 117.05 2ain s LYS 25 Ca -0.05 -2.44 0.00 0.00 -0.36 0.00 0.00 55.97 53.12 2ain s LYS 25 Cb -0.01 -1.51 0.00 0.00 -1.51 0.00 0.00 37.83 34.81 2ain s LYS 25 CO -0.04 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 2ain n GLY 26 N -1.30 3.19 3.72 5.54 0.00 -1.26 -5.10 105.19 109.98 2ain n GLY 26 Ca -0.21 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 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 3.38 -1.81 4.61 0.00 -1.26 -4.43 121.76 121.26 2ain s ALA 27 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2ain s ALA 27 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.73 2ain s ALA 27 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.84 2ain n GLY 28 N 1.15 0.01 2.80 0.00 0.00 -1.26 -4.94 105.19 102.94 2ain n GLY 28 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.76 0.29 -0.34 1.61 -0.44 -1.26 -5.01 119.66 109.74 2ain s GLN 29 Ca 0.00 0.13 0.05 0.00 -2.50 0.00 0.00 55.36 53.04 2ain s GLN 29 Cb 0.00 -0.79 0.57 0.00 -1.64 0.00 0.00 33.01 31.15 2ain s GLN 29 CO 0.00 -0.82 1.71 -3.47 0.50 0.00 0.00 175.29 173.21 2ain n ASP 30 N 5.33 3.85 -1.10 6.67 2.03 -1.26 -4.28 116.55 127.78 2ain n ASP 30 Ca -0.03 -3.21 0.00 0.00 0.52 0.00 0.00 54.79 52.06 2ain n ASP 30 Cb 0.48 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 2ain n ASP 30 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ain n LYS 31 N -0.59 2.87 -3.70 -0.67 4.01 -1.26 -4.86 118.16 113.96 2ain n LYS 31 Ca 0.44 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 58.10 2ain n LYS 31 Cb 1.38 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 35.76 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 0.15 -0.26 -0.35 2.96 -1.26 -4.67 118.68 115.25 2ain s LEU 32 Ca 0.00 0.44 -0.21 0.00 -0.22 0.00 0.00 54.13 54.14 2ain s LEU 32 Cb 0.00 0.51 -0.02 0.00 0.50 0.00 0.00 46.19 47.18 2ain s LEU 32 CO 0.00 -0.20 0.65 -0.83 -1.32 0.00 0.00 176.35 174.65 2ain s GLY 33 N 1.84 1.80 -1.38 7.98 0.00 -1.20 -3.88 107.32 112.47 2ain s GLY 33 Ca -0.03 -0.44 -0.16 0.00 0.00 0.00 0.00 44.72 44.09 2ain s GLY 33 CO -0.07 1.49 2.00 1.39 0.00 0.00 0.00 173.10 177.91 2ain n ILE 34 N 5.25 3.69 -1.28 0.90 2.08 -1.26 -3.63 119.36 125.10 2ain n ILE 34 Ca 0.00 -3.53 -0.29 0.00 0.56 0.00 0.00 62.75 59.49 2ain n ILE 34 Cb 0.49 -2.49 0.15 0.00 -0.75 0.00 0.00 39.64 37.04 2ain n ILE 34 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 2ain s TYR 35 N 3.65 2.29 -0.37 1.39 2.02 -0.44 -2.70 117.35 123.19 2ain s TYR 35 Ca 0.50 1.04 -0.08 0.00 -0.37 0.00 0.00 57.07 58.16 2ain s TYR 35 Cb 0.09 -3.25 0.05 0.00 -0.40 0.00 0.00 41.96 38.45 2ain s TYR 35 CO -0.01 -2.59 0.17 0.08 -1.57 0.00 0.00 175.55 171.62 2ain s VAL 36 N -3.03 4.10 0.11 0.71 1.01 -0.69 -1.42 120.40 121.19 2ain s VAL 36 Ca 0.64 -1.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 2ain s VAL 36 Cb -0.17 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 2ain s VAL 36 CO 0.56 -0.28 1.61 0.50 0.00 0.00 0.00 175.10 177.50 2ain h LYS 37 N 8.32 0.47 -1.27 2.72 3.64 -0.18 0.28 116.57 130.55 2ain h LYS 37 Ca -0.24 -0.11 0.25 0.00 -1.27 0.00 0.00 60.65 59.29 2ain h LYS 37 Cb 1.09 -0.06 -0.22 0.00 -0.41 0.00 0.00 32.23 32.62 2ain h LYS 37 CO 0.66 0.54 0.87 -1.54 -2.27 0.00 0.00 179.45 177.70 2ain s SER 38 N -5.83 -0.10 -0.17 4.20 1.04 -1.05 -4.44 113.70 107.35 2ain s SER 38 Ca -0.13 0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.28 2ain s SER 38 Cb 0.08 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 2ain s SER 38 CO 0.74 -0.14 0.07 -0.69 0.98 0.00 0.00 173.24 174.20 2ain s VAL 39 N -1.77 4.84 0.06 5.02 1.01 -1.26 0.99 120.40 129.28 2ain s VAL 39 Ca 0.09 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 2ain s VAL 39 Cb -0.01 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2ain s VAL 39 CO -0.05 0.49 0.98 -0.69 0.00 0.00 0.00 175.10 175.84 2ain s VAL 40 N 0.12 4.63 0.16 2.92 1.01 0.24 -4.89 120.40 124.59 2ain s VAL 40 Ca 0.05 2.03 -0.32 0.00 0.00 0.00 0.00 61.98 63.74 2ain s VAL 40 Cb -0.12 -4.30 -0.11 0.00 0.00 0.00 0.00 36.38 31.85 2ain s VAL 40 CO 0.00 0.23 1.74 -0.54 0.00 0.00 0.00 175.10 176.54 2ain s LYS 41 N 0.50 4.14 0.00 2.72 3.01 -1.26 -2.16 119.74 126.69 2ain s LYS 41 Ca 0.50 2.56 0.00 0.00 -1.01 0.00 0.00 55.97 58.02 2ain s LYS 41 Cb -0.23 -3.30 0.00 0.00 -1.01 0.00 0.00 37.83 33.29 2ain s LYS 41 CO 0.29 -0.77 0.00 0.41 0.51 0.00 0.00 175.35 175.79 2ain n GLY 42 N 4.05 2.87 3.73 -3.33 0.00 -1.26 -5.07 105.19 106.17 2ain n GLY 42 Ca 0.16 0.00 -0.32 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 -2.57 1.99 0.30 -0.02 0.00 -0.92 -4.81 107.32 101.29 2ain s GLY 43 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.34 2ain s GLY 43 CO 0.00 1.00 1.93 0.00 0.00 0.00 0.00 173.10 176.03 2ain h ALA 44 N -0.87 1.50 0.01 3.20 0.00 -1.25 -1.66 119.26 120.19 2ain h ALA 44 Ca -0.45 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 2ain h ALA 44 Cb 1.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2ain h ALA 44 CO 0.48 0.39 -0.97 0.00 0.00 0.00 0.00 179.25 179.16 2ain h ALA 45 N 1.51 0.34 -0.35 0.00 0.00 -1.84 -3.15 119.26 115.77 2ain h ALA 45 Ca 0.36 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2ain h ALA 45 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ain h ALA 45 CO -0.12 0.83 0.09 0.22 0.00 0.00 0.00 179.25 180.27 2ain h ASP 46 N 0.21 0.53 -0.38 0.00 3.58 -1.65 -2.39 116.42 116.33 2ain h ASP 46 Ca -0.08 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.12 2ain h ASP 46 Cb 1.61 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.50 2ain h ASP 46 CO 0.17 0.62 0.18 0.58 -2.88 0.00 0.00 179.24 177.91 2ain h VAL 47 N 0.42 1.16 0.24 2.25 2.07 -1.40 -3.08 116.25 117.91 2ain h VAL 47 Ca 0.11 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2ain h VAL 47 Cb 0.29 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2ain h VAL 47 CO 0.00 0.19 -0.12 -0.78 0.02 0.00 0.00 177.57 176.88 2ain h ASP 48 N 0.60 -0.27 -0.04 0.57 1.82 -1.46 -3.48 116.42 114.15 2ain h ASP 48 Ca 0.15 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 2ain h ASP 48 Cb 0.10 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.19 2ain h ASP 48 CO -0.02 0.13 0.00 0.61 -1.61 0.00 0.00 179.24 178.35 2ain n GLY 49 N -0.11 0.85 0.12 -0.78 0.00 -0.92 -5.00 105.19 99.35 2ain n GLY 49 Ca -0.09 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 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 0.29 -5.56 1.61 2.47 -1.90 -3.48 114.38 107.81 2ain h ARG 50 Ca 0.00 -0.49 -0.63 0.00 -1.26 0.00 0.00 59.98 57.60 2ain h ARG 50 Cb 0.71 0.18 -0.09 0.00 -1.65 0.00 0.00 29.97 29.13 2ain h ARG 50 CO 0.00 1.23 -0.40 -0.48 0.56 0.00 0.00 179.97 180.88 2ain s LEU 51 N -7.75 2.48 0.32 3.04 2.34 -1.26 -5.14 118.68 112.71 2ain s LEU 51 Ca -0.16 -1.46 -0.08 0.00 0.06 0.00 0.00 54.13 52.49 2ain s LEU 51 Cb 0.02 -0.95 0.01 0.00 -0.56 0.00 0.00 46.19 44.71 2ain s LEU 51 CO 0.81 -1.00 0.53 0.00 -1.06 0.00 0.00 176.35 175.63 2ain s ALA 52 N -2.83 0.21 0.16 1.48 0.00 -1.26 -5.00 121.76 114.52 2ain s ALA 52 Ca 0.19 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 2ain s ALA 52 Cb -0.01 1.05 -0.08 0.00 0.00 0.00 0.00 23.12 24.08 2ain s ALA 52 CO 0.12 -0.84 1.33 0.00 0.00 0.00 0.00 175.76 176.36 2ain s ALA 53 N -3.21 3.54 0.00 0.00 0.00 -1.26 -3.50 121.76 117.33 2ain s ALA 53 Ca 0.25 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2ain s ALA 53 Cb -0.01 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2ain s ALA 53 CO 0.15 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2ain n GLY 54 N 2.77 1.64 3.86 0.00 0.00 0.98 -5.00 105.19 109.44 2ain n GLY 54 Ca 0.08 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.16 4.67 0.04 1.61 1.11 -1.23 -4.92 116.67 115.80 2ain s ASP 55 Ca 0.00 -1.10 0.08 0.00 0.18 0.00 0.00 52.55 51.71 2ain s ASP 55 Cb 0.00 -0.02 -0.03 0.00 1.07 0.00 0.00 42.92 43.94 2ain s ASP 55 CO 0.00 -0.86 -0.23 -1.58 1.18 0.00 0.00 175.17 173.68 2ain s GLN 56 N -4.15 1.91 -0.04 8.23 -0.44 -1.23 -1.70 119.66 122.25 2ain s GLN 56 Ca 0.38 -1.06 0.03 0.00 -2.50 0.00 0.00 55.36 52.22 2ain s GLN 56 Cb -0.01 -2.07 -0.03 0.00 -1.64 0.00 0.00 33.01 29.26 2ain s GLN 56 CO 0.23 0.52 -0.12 -1.17 0.50 0.00 0.00 175.29 175.24 2ain s LEU 57 N -1.34 2.85 -0.14 3.68 0.20 -1.10 0.25 118.68 123.08 2ain s LEU 57 Ca 0.13 -0.18 -0.14 0.00 0.69 0.00 0.00 54.13 54.63 2ain s LEU 57 Cb -0.10 -1.60 -0.06 0.00 -0.43 0.00 0.00 46.19 44.00 2ain s LEU 57 CO 0.03 0.34 -0.29 -0.11 -0.29 0.00 0.00 176.35 176.03 2ain n LEU 58 N 2.15 1.78 -4.12 -0.68 0.00 0.19 -4.12 117.00 112.19 2ain n LEU 58 Ca -0.17 0.30 -0.11 0.00 0.00 0.00 0.00 56.01 56.03 2ain n LEU 58 Cb 0.52 -0.67 -0.10 0.00 0.00 0.00 0.00 43.42 43.17 2ain n LEU 58 CO 0.26 -0.25 -0.39 -0.44 0.00 0.00 0.00 177.39 176.58 2ain s SER 59 N -6.07 0.93 -0.10 1.96 0.01 -1.25 -3.50 113.70 105.69 2ain s SER 59 Ca -0.25 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.16 2ain s SER 59 Cb 0.04 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.39 2ain s SER 59 CO 0.36 -0.40 -0.09 -0.69 0.41 0.00 0.00 173.24 172.82 2ain s VAL 60 N -2.94 1.10 -0.24 3.43 1.01 -0.81 -0.07 120.40 121.88 2ain s VAL 60 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2ain s VAL 60 Cb 0.01 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.31 2ain s VAL 60 CO -0.04 0.37 0.00 -0.67 0.00 0.00 0.00 175.10 174.76 2ain n ASP 61 N 4.60 -4.85 0.00 3.32 2.03 0.86 -2.36 116.55 120.15 2ain n ASP 61 Ca -0.16 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2ain n ASP 61 Cb 0.50 -2.54 0.00 0.00 -0.72 0.00 0.00 41.12 38.36 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 -0.62 0.89 3.21 0.27 0.00 -1.25 -4.89 105.19 102.81 2ain n GLY 62 Ca -0.02 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 2ain n GLY 62 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ain s ARG 63 N -0.43 1.42 0.03 1.61 1.70 -1.00 -5.11 118.95 117.17 2ain s ARG 63 Ca 0.00 -0.80 -0.30 0.00 -0.47 0.00 0.00 55.73 54.16 2ain s ARG 63 Cb 0.00 -1.45 -0.05 0.00 -0.57 0.00 0.00 34.95 32.88 2ain s ARG 63 CO 0.00 0.38 1.20 -1.12 -1.08 0.00 0.00 175.30 174.68 2ain s SER 64 N -0.83 7.08 -0.11 -2.89 0.01 -1.26 -1.93 113.70 113.77 2ain s SER 64 Ca 0.07 1.96 0.20 0.00 1.31 0.00 0.00 55.95 59.48 2ain s SER 64 Cb -0.08 -2.57 0.44 0.00 0.21 0.00 0.00 66.02 64.01 2ain s SER 64 CO 0.01 -0.50 1.18 0.18 0.41 0.00 0.00 173.24 174.52 2ain n LEU 65 N 4.29 1.81 -4.25 2.44 4.77 -1.23 -4.97 117.00 119.87 2ain n LEU 65 Ca 0.09 -2.85 -0.42 0.00 -0.03 0.00 0.00 56.01 52.80 2ain n LEU 65 Cb 0.46 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2ain n LEU 65 CO 0.55 0.93 0.50 0.54 -1.33 0.00 0.00 177.39 178.58 2ain s VAL 66 N -1.65 5.21 0.00 4.08 0.11 -1.26 -4.30 120.40 122.60 2ain s VAL 66 Ca 0.36 -3.29 0.00 0.00 -2.93 0.00 0.00 61.98 56.11 2ain s VAL 66 Cb 0.38 -4.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 2ain s VAL 66 CO -0.11 -1.09 0.00 0.61 -3.33 0.00 0.00 175.10 171.18 2ain n GLY 67 N 2.96 0.56 3.94 6.54 0.00 -1.25 -4.57 105.19 113.37 2ain n GLY 67 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 2ain n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ain s LEU 68 N 0.00 3.16 0.73 0.99 1.43 -1.26 -4.43 118.68 119.30 2ain s LEU 68 Ca 0.00 0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.35 2ain s LEU 68 Cb 0.00 -3.16 0.03 0.00 0.03 0.00 0.00 46.19 43.09 2ain s LEU 68 CO 0.00 -1.21 1.09 -0.44 0.23 0.00 0.00 176.35 176.01 2ain s SER 69 N -4.40 4.86 0.55 2.29 0.01 -1.26 -4.56 113.70 111.19 2ain s SER 69 Ca 0.56 1.81 0.26 0.00 1.31 0.00 0.00 55.95 59.90 2ain s SER 69 Cb -0.10 -2.52 1.45 0.00 0.21 0.00 0.00 66.02 65.05 2ain s SER 69 CO 0.42 -1.80 2.00 -0.61 0.41 0.00 0.00 173.24 173.67 2ain h GLN 70 N -0.74 0.00 -0.63 12.44 5.75 -1.96 -0.41 115.11 129.55 2ain h GLN 70 Ca -0.44 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.06 2ain h GLN 70 Cb 1.23 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.75 2ain h GLN 70 CO 0.53 0.00 0.39 1.49 -2.65 0.00 0.00 178.83 178.59 2ain h GLU 71 N 0.00 0.85 0.11 1.69 4.81 -1.98 0.89 114.58 120.96 2ain h GLU 71 Ca 0.21 -0.07 -0.23 0.00 -0.13 0.00 0.00 59.36 59.14 2ain h GLU 71 Cb 0.93 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 30.15 2ain h GLU 71 CO -0.00 0.59 -0.99 0.00 -0.73 0.00 0.00 179.01 177.88 2ain h ARG 72 N 0.87 0.47 0.07 1.92 2.47 -1.43 -2.67 114.38 116.08 2ain h ARG 72 Ca 0.23 -0.66 -0.00 0.00 -1.26 0.00 0.00 59.98 58.29 2ain h ARG 72 Cb -0.05 0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2ain h ARG 72 CO -0.04 1.28 -0.03 0.00 0.56 0.00 0.00 179.97 181.74 2ain h ALA 73 N 0.22 -0.09 -0.39 0.04 0.00 -1.24 -2.73 119.26 115.07 2ain h ALA 73 Ca -0.16 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2ain h ALA 73 Cb 1.72 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 2ain h ALA 73 CO 0.19 -0.24 0.24 0.00 0.00 0.00 0.00 179.25 179.44 2ain h ALA 74 N 0.11 0.49 -0.55 0.00 0.00 0.66 -0.05 119.26 119.92 2ain h ALA 74 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2ain h ALA 74 Cb 0.58 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2ain h ALA 74 CO 0.02 -0.09 0.29 1.49 0.00 0.00 0.00 179.25 180.96 2ain h GLU 75 N 0.49 0.55 -0.20 0.00 4.57 -1.58 -1.67 114.58 116.74 2ain h GLU 75 Ca 0.15 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 2ain h GLU 75 Cb -0.02 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 2ain h GLU 75 CO -0.05 0.36 -0.24 -0.07 -1.18 0.00 0.00 179.01 177.83 2ain h LEU 76 N 0.56 0.37 0.70 1.64 3.38 -1.14 -1.85 115.31 118.97 2ain h LEU 76 Ca 0.24 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2ain h LEU 76 Cb 0.12 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2ain h LEU 76 CO -0.15 0.61 -0.34 0.24 0.09 0.00 0.00 178.44 178.89 2ain h MET 77 N 0.34 -0.91 -0.80 1.13 2.86 -0.09 -3.00 114.93 114.46 2ain h MET 77 Ca 0.05 0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2ain h MET 77 Cb 0.60 0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.43 2ain h MET 77 CO 0.04 -0.60 0.38 0.00 1.06 0.00 0.00 176.91 177.79 2ain h THR 78 N -0.98 1.25 -0.42 2.22 1.03 -1.43 -3.05 112.91 111.53 2ain h THR 78 Ca -0.10 -0.71 -0.38 0.00 -0.01 0.00 0.00 66.41 65.21 2ain h THR 78 Cb 0.73 0.23 -0.10 0.00 -1.07 0.00 0.00 68.15 67.95 2ain h THR 78 CO 0.16 0.30 0.56 -1.14 -0.01 0.00 0.00 175.52 175.39 2ain n ARG 79 N -4.31 2.52 -2.94 0.00 0.00 -0.70 -4.92 116.66 106.32 2ain n ARG 79 Ca 0.08 -1.74 -0.20 0.00 -0.00 0.00 0.00 57.85 55.99 2ain n ARG 79 Cb 0.14 -2.19 0.06 0.00 0.00 0.00 0.00 32.46 30.48 2ain n ARG 79 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2ain s THR 80 N -0.03 2.29 0.32 5.15 -4.23 -1.15 -4.86 115.64 113.13 2ain s THR 80 Ca 0.64 -0.92 -0.04 0.00 -1.18 0.00 0.00 61.69 60.19 2ain s THR 80 Cb 0.31 -2.37 0.07 0.00 1.34 0.00 0.00 72.50 71.85 2ain s THR 80 CO -0.08 0.00 0.44 -1.54 -0.54 0.00 0.00 174.62 172.90 2ain n SER 81 N -2.29 0.16 -0.12 3.99 3.41 -1.26 -4.94 113.62 112.58 2ain n SER 81 Ca 0.14 -1.24 0.15 0.00 -0.26 0.00 0.00 58.87 57.67 2ain n SER 81 Cb 0.61 -0.32 0.53 0.00 -0.26 0.00 0.00 64.21 64.77 2ain n SER 81 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2ain h SER 82 N -0.51 0.32 -3.26 4.04 0.87 -2.00 -3.41 113.55 109.60 2ain h SER 82 Ca -0.14 0.01 -0.66 0.00 -1.23 0.00 0.00 61.79 59.77 2ain h SER 82 Cb 0.42 -0.05 -0.12 0.00 -0.44 0.00 0.00 62.40 62.21 2ain h SER 82 CO 0.11 0.17 -0.62 -0.69 -0.53 0.00 0.00 176.83 175.28 2ain s VAL 83 N -5.34 4.38 0.04 2.23 1.01 -1.26 -1.36 120.40 120.10 2ain s VAL 83 Ca -0.07 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.47 2ain s VAL 83 Cb 0.20 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2ain s VAL 83 CO 0.76 0.40 -0.10 -0.69 0.00 0.00 0.00 175.10 175.46 2ain s VAL 84 N -1.10 3.38 -0.42 2.92 1.01 0.20 -4.93 120.40 121.45 2ain s VAL 84 Ca 0.20 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2ain s VAL 84 Cb -0.12 -2.49 0.17 0.00 0.00 0.00 0.00 36.38 33.94 2ain s VAL 84 CO 0.10 0.30 0.40 -0.89 0.00 0.00 0.00 175.10 175.02 2ain s THR 85 N -1.04 0.06 -0.38 3.92 2.01 -1.26 -1.74 115.64 117.22 2ain s THR 85 Ca 0.18 -2.23 -0.18 0.00 0.31 0.00 0.00 61.69 59.77 2ain s THR 85 Cb -0.11 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.40 2ain s THR 85 CO 0.09 -0.98 0.48 -0.76 -0.69 0.00 0.00 174.62 172.75 2ain s LEU 86 N 0.33 4.51 -0.96 4.42 1.43 -1.25 -0.10 118.68 127.06 2ain s LEU 86 Ca 0.31 -0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 52.90 2ain s LEU 86 Cb 0.01 -2.50 0.05 0.00 0.03 0.00 0.00 46.19 43.78 2ain s LEU 86 CO -0.15 -0.51 1.38 -0.70 0.23 0.00 0.00 176.35 176.59 2ain s GLU 87 N 2.31 3.52 -0.12 1.70 2.12 0.90 -1.85 118.70 127.28 2ain s GLU 87 Ca 0.16 -1.03 -0.11 0.00 0.36 0.00 0.00 54.97 54.35 2ain s GLU 87 Cb -0.16 -5.11 -0.05 0.00 0.26 0.00 0.00 34.13 29.08 2ain s GLU 87 CO 0.14 -2.15 0.23 0.54 -0.54 0.00 0.00 175.26 173.48 2ain s VAL 88 N 4.86 5.34 0.02 3.70 0.11 0.30 0.54 120.40 135.27 2ain s VAL 88 Ca 0.42 0.42 -0.05 0.00 -2.93 0.00 0.00 61.98 59.84 2ain s VAL 88 Cb -0.02 -3.53 -0.05 0.00 -1.53 0.00 0.00 36.38 31.25 2ain s VAL 88 CO -0.06 0.53 0.26 0.00 -3.33 0.00 0.00 175.10 172.50 2ain s ALA 89 N -0.47 3.87 -0.25 1.54 0.00 0.14 -1.43 121.76 125.16 2ain s ALA 89 Ca 0.16 -0.62 -0.13 0.00 0.00 0.00 0.00 51.96 51.38 2ain s ALA 89 Cb -0.13 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.92 2ain s ALA 89 CO 0.05 0.68 0.26 0.21 0.00 0.00 0.00 175.76 176.95 2ain s LYS 90 N -1.90 4.04 0.15 0.00 2.47 0.37 -3.55 119.74 121.33 2ain s LYS 90 Ca 0.29 -0.13 -0.09 0.00 -1.56 0.00 0.00 55.97 54.48 2ain s LYS 90 Cb -0.13 -3.60 0.03 0.00 -1.46 0.00 0.00 37.83 32.68 2ain s LYS 90 CO 0.18 -0.10 0.45 0.00 0.16 0.00 0.00 175.35 176.04 2ain n GLN 91 N 4.76 0.46 0.00 4.03 0.00 -1.26 -4.14 117.38 121.22 2ain n GLN 91 Ca -0.12 -0.94 0.00 0.00 0.00 0.00 0.00 57.00 55.94 2ain n GLN 91 Cb 0.52 1.21 0.00 0.00 0.00 0.00 0.00 30.24 31.97 2ain n GLN 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ain n GLY 92 N -0.31 4.02 0.05 2.61 0.00 -1.26 -4.97 105.19 105.33 2ain n GLY 92 Ca -0.03 -0.28 0.16 0.00 0.00 0.00 0.00 46.02 45.87 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32