#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 0.15 -0.68 3.17 1.02 -1.26 -5.01 119.74 117.13 2ain s LYS 2 Ca 0.00 0.70 -0.01 0.00 0.02 0.00 0.00 55.97 56.68 2ain s LYS 2 Cb 0.00 -1.69 0.17 0.00 -0.52 0.00 0.00 37.83 35.79 2ain s LYS 2 CO 0.00 -2.97 0.50 -2.00 -0.92 0.00 0.00 175.35 169.96 2ain s GLU 3 N -4.79 2.65 1.41 1.68 2.12 -1.26 -5.09 118.70 115.41 2ain s GLU 3 Ca 0.66 -2.81 -0.23 0.00 0.36 0.00 0.00 54.97 52.95 2ain s GLU 3 Cb -0.21 -3.70 0.36 0.00 0.26 0.00 0.00 34.13 30.85 2ain s GLU 3 CO 0.60 -1.20 0.96 -2.14 -0.54 0.00 0.00 175.26 172.94 2ain s PRO 4 N -0.55 -2.84 -0.40 4.30 0.02 -1.26 -5.03 135.00 129.25 2ain s PRO 4 Ca 0.20 0.02 0.02 0.00 0.02 0.00 0.00 61.00 61.26 2ain s PRO 4 Cb -0.16 -1.40 0.12 0.00 0.02 0.00 0.00 34.50 33.08 2ain s PRO 4 CO -0.06 -4.79 0.17 -2.00 -0.33 0.00 0.00 177.00 169.99 2ain s GLU 5 N -5.21 1.24 -0.38 5.54 2.12 -1.26 -5.00 118.70 115.74 2ain s GLU 5 Ca 0.69 -1.80 -0.26 0.00 0.36 0.00 0.00 54.97 53.96 2ain s GLU 5 Cb -0.11 -2.50 0.02 0.00 0.26 0.00 0.00 34.13 31.80 2ain s GLU 5 CO 0.57 -1.07 0.93 0.42 -0.54 0.00 0.00 175.26 175.57 2ain s ILE 6 N 0.71 4.56 -0.00 -3.70 1.01 -1.26 -1.75 121.20 120.77 2ain s ILE 6 Ca 0.14 1.14 0.07 0.00 0.00 0.00 0.00 60.65 62.00 2ain s ILE 6 Cb -0.22 -4.35 -0.02 0.00 0.01 0.00 0.00 42.46 37.88 2ain s ILE 6 CO -0.08 -0.59 -0.21 0.27 0.00 0.00 0.00 174.94 174.33 2ain s ILE 7 N 3.54 1.67 -0.07 2.92 -4.36 0.95 -4.94 121.20 120.91 2ain s ILE 7 Ca 0.38 -0.97 -0.03 0.00 -0.26 0.00 0.00 60.65 59.78 2ain s ILE 7 Cb -0.12 -1.40 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 2ain s ILE 7 CO 0.20 0.42 0.05 -0.89 0.24 0.00 0.00 174.94 174.96 2ain s THR 8 N -0.56 4.66 -0.12 8.37 2.01 -1.26 -0.41 115.64 128.33 2ain s THR 8 Ca 0.08 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.92 2ain s THR 8 Cb -0.08 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.41 2ain s THR 8 CO -0.00 0.55 -0.22 0.54 -0.69 0.00 0.00 174.62 174.79 2ain s VAL 9 N -0.99 2.13 -0.50 3.82 0.11 -0.55 -4.96 120.40 119.46 2ain s VAL 9 Ca 0.16 -0.98 -0.16 0.00 -2.93 0.00 0.00 61.98 58.07 2ain s VAL 9 Cb -0.12 -1.83 0.09 0.00 -1.53 0.00 0.00 36.38 32.99 2ain s VAL 9 CO 0.05 0.55 0.45 -0.89 -3.33 0.00 0.00 175.10 171.94 2ain s THR 10 N 0.54 5.19 0.00 5.04 2.01 -1.26 -2.90 115.64 124.26 2ain s THR 10 Ca -0.14 -1.15 -0.06 0.00 0.31 0.00 0.00 61.69 60.66 2ain s THR 10 Cb -0.17 -4.21 -0.00 0.00 0.01 0.00 0.00 72.50 68.13 2ain s THR 10 CO 0.04 -0.70 0.11 -0.76 -0.69 0.00 0.00 174.62 172.63 2ain s LEU 11 N 1.73 1.65 0.65 4.42 1.43 -0.93 -4.98 118.68 122.65 2ain s LEU 11 Ca 0.05 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 52.88 2ain s LEU 11 Cb -0.26 0.57 0.04 0.00 0.03 0.00 0.00 46.19 46.57 2ain s LEU 11 CO 0.06 -0.33 0.95 -0.54 0.23 0.00 0.00 176.35 176.72 2ain s LYS 12 N -1.26 2.52 -0.08 1.70 1.02 -1.26 0.68 119.74 123.06 2ain s LYS 12 Ca -0.14 -0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.38 2ain s LYS 12 Cb -0.07 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 2ain s LYS 12 CO 0.01 -0.98 1.15 0.15 -0.92 0.00 0.00 175.35 174.76 2ain s LYS 13 N -5.11 4.36 -0.60 1.68 1.02 -1.17 -4.81 119.74 115.11 2ain s LYS 13 Ca 0.57 1.60 0.04 0.00 0.02 0.00 0.00 55.97 58.20 2ain s LYS 13 Cb -0.11 -3.57 0.15 0.00 -0.52 0.00 0.00 37.83 33.79 2ain s LYS 13 CO 0.45 -0.43 0.37 -1.14 -0.92 0.00 0.00 175.35 173.67 2ain s GLN 14 N 2.25 2.16 -1.54 1.68 -0.44 -1.26 -4.77 119.66 117.74 2ain s GLN 14 Ca 0.54 -2.92 -0.05 0.00 -2.50 0.00 0.00 55.36 50.42 2ain s GLN 14 Cb -0.23 -3.31 0.01 0.00 -1.64 0.00 0.00 33.01 27.85 2ain s GLN 14 CO 0.20 -1.19 0.52 0.09 0.50 0.00 0.00 175.29 175.41 2ain n ASN 15 N 2.60 -5.78 0.00 6.67 4.13 -1.26 -4.09 115.26 117.54 2ain n ASN 15 Ca 0.12 -0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.12 2ain n ASN 15 Cb 0.34 -4.70 0.00 0.00 -1.54 0.00 0.00 39.78 33.88 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 -1.42 1.53 0.08 7.41 0.00 -1.26 -4.88 105.19 106.65 2ain n GLY 16 Ca -0.12 -1.80 -0.15 0.00 0.00 0.00 0.00 46.02 43.95 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 0.09 -4.34 1.61 2.86 -1.96 -2.98 114.93 110.21 2ain h MET 17 Ca 0.00 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2ain h MET 17 Cb 0.00 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2ain h MET 17 CO 0.00 0.95 -0.14 0.41 1.06 0.00 0.00 176.91 179.18 2ain n GLY 18 N 1.28 -0.95 3.83 8.32 0.00 -1.26 -2.88 105.19 113.54 2ain n GLY 18 Ca -0.10 0.43 -0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.54 -0.14 0.10 0.99 0.05 -1.26 0.81 118.68 116.68 2ain s LEU 19 Ca 0.07 -0.81 0.09 0.00 0.05 0.00 0.00 54.13 53.52 2ain s LEU 19 Cb -0.02 2.72 -0.03 0.00 -2.05 0.00 0.00 46.19 46.80 2ain s LEU 19 CO 0.44 -1.44 -0.22 -0.44 -0.55 0.00 0.00 176.35 174.14 2ain s SER 20 N -3.00 2.64 0.05 1.48 0.01 -0.31 -4.80 113.70 109.77 2ain s SER 20 Ca 0.13 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 56.72 2ain s SER 20 Cb -0.05 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 2ain s SER 20 CO 0.08 0.08 -0.05 0.27 0.41 0.00 0.00 173.24 174.03 2ain s ILE 21 N -1.12 0.41 -0.10 1.44 -4.36 -1.26 -0.48 121.20 115.72 2ain s ILE 21 Ca 0.07 -1.40 -0.07 0.00 -0.26 0.00 0.00 60.65 58.99 2ain s ILE 21 Cb -0.10 -0.97 0.04 0.00 1.25 0.00 0.00 42.46 42.67 2ain s ILE 21 CO 0.04 -0.66 0.26 -0.69 0.24 0.00 0.00 174.94 174.14 2ain s VAL 22 N -2.46 -0.02 0.16 8.37 1.01 0.15 -4.66 120.40 122.95 2ain s VAL 22 Ca -0.03 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 2ain s VAL 22 Cb -0.03 -0.39 -0.07 0.00 0.00 0.00 0.00 36.38 35.90 2ain s VAL 22 CO -0.03 0.03 0.60 0.00 0.00 0.00 0.00 175.10 175.69 2ain s ALA 23 N 0.71 3.53 0.14 5.51 0.00 -1.26 -1.24 121.76 129.15 2ain s ALA 23 Ca -0.05 -0.04 -0.22 0.00 0.00 0.00 0.00 51.96 51.66 2ain s ALA 23 Cb -0.06 -2.61 0.06 0.00 0.00 0.00 0.00 23.12 20.51 2ain s ALA 23 CO -0.04 0.42 0.55 0.00 0.00 0.00 0.00 175.76 176.69 2ain s ALA 24 N -1.45 -1.44 0.50 0.00 0.00 -1.22 -4.99 121.76 113.15 2ain s ALA 24 Ca 0.38 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.76 2ain s ALA 24 Cb -0.16 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 2ain s ALA 24 CO 0.20 -0.72 0.03 0.15 0.00 0.00 0.00 175.76 175.42 2ain s LYS 25 N -3.62 2.16 0.00 0.00 -0.14 -1.26 -3.49 119.74 113.39 2ain s LYS 25 Ca 0.01 -2.38 0.00 0.00 -1.36 0.00 0.00 55.97 52.23 2ain s LYS 25 Cb -0.00 -1.29 0.00 0.00 -1.68 0.00 0.00 37.83 34.85 2ain s LYS 25 CO -0.12 -0.43 0.00 0.41 -0.76 0.00 0.00 175.35 174.46 2ain n GLY 26 N -1.21 3.60 3.66 -3.33 0.00 -1.26 -5.11 105.19 101.53 2ain n GLY 26 Ca -0.17 -0.28 -0.30 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 -1.01 3.19 -1.65 4.61 0.00 -1.26 -4.50 121.76 121.15 2ain s ALA 27 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.79 2ain s ALA 27 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 22.02 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 0.55 -0.23 2.78 0.00 0.00 -1.26 -4.94 105.19 102.09 2ain n GLY 28 Ca -0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.87 0.25 -0.54 1.61 -0.44 -1.26 -5.02 119.66 109.38 2ain s GLN 29 Ca 0.00 0.20 -0.00 0.00 -2.50 0.00 0.00 55.36 53.05 2ain s GLN 29 Cb 0.00 -0.95 0.45 0.00 -1.64 0.00 0.00 33.01 30.86 2ain s GLN 29 CO 0.00 -0.73 1.98 -3.47 0.50 0.00 0.00 175.29 173.57 2ain n ASP 30 N 5.33 6.46 -0.61 6.67 2.03 -1.26 -4.49 116.55 130.68 2ain n ASP 30 Ca -0.04 -3.57 0.00 0.00 0.52 0.00 0.00 54.79 51.70 2ain n ASP 30 Cb 0.49 -0.95 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 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 -0.71 1.00 -3.70 -0.67 4.76 -1.26 -4.84 118.16 112.74 2ain n LYS 31 Ca 0.55 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.86 2ain n LYS 31 Cb 0.87 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.94 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 0.03 -0.14 -0.35 2.96 -1.26 -4.75 118.68 115.17 2ain s LEU 32 Ca 0.00 0.62 -0.08 0.00 -0.22 0.00 0.00 54.13 54.45 2ain s LEU 32 Cb 0.00 0.82 -0.04 0.00 0.50 0.00 0.00 46.19 47.47 2ain s LEU 32 CO 0.00 -0.20 0.15 -0.83 -1.32 0.00 0.00 176.35 174.15 2ain s GLY 33 N 1.78 2.14 -1.31 7.98 0.00 -1.23 -3.66 107.32 113.03 2ain s GLY 33 Ca -0.05 -0.64 -0.12 0.00 0.00 0.00 0.00 44.72 43.91 2ain s GLY 33 CO -0.09 -0.23 1.87 1.39 0.00 0.00 0.00 173.10 176.03 2ain n ILE 34 N 2.35 4.10 -0.68 0.90 2.08 -1.25 -3.44 119.36 123.43 2ain n ILE 34 Ca -0.19 -4.12 -0.31 0.00 0.56 0.00 0.00 62.75 58.69 2ain n ILE 34 Cb 0.54 -2.43 0.17 0.00 -0.75 0.00 0.00 39.64 37.17 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 1.53 1.59 -0.34 1.39 2.02 -0.38 -3.70 117.35 119.46 2ain s TYR 35 Ca 0.43 1.79 -0.12 0.00 -0.37 0.00 0.00 57.07 58.80 2ain s TYR 35 Cb 0.08 -3.35 -0.01 0.00 -0.40 0.00 0.00 41.96 38.28 2ain s TYR 35 CO -0.01 -2.86 0.22 0.08 -1.57 0.00 0.00 175.55 171.42 2ain s VAL 36 N -2.64 5.13 0.08 0.71 1.01 -0.88 0.30 120.40 124.11 2ain s VAL 36 Ca 0.67 -0.29 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 2ain s VAL 36 Cb -0.23 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 2ain s VAL 36 CO 0.58 -0.01 1.54 0.50 0.00 0.00 0.00 175.10 177.71 2ain h LYS 37 N 8.47 0.36 -0.57 2.72 3.64 -1.05 0.69 116.57 130.83 2ain h LYS 37 Ca -0.31 -0.10 0.24 0.00 -1.27 0.00 0.00 60.65 59.20 2ain h LYS 37 Cb 1.15 -0.04 -0.30 0.00 -0.41 0.00 0.00 32.23 32.63 2ain h LYS 37 CO 0.63 0.52 0.65 0.45 -2.27 0.00 0.00 179.45 179.43 2ain s SER 38 N -5.81 -0.06 0.35 4.20 0.15 -1.23 -4.52 113.70 106.78 2ain s SER 38 Ca -0.14 0.08 -0.27 0.00 0.70 0.00 0.00 55.95 56.33 2ain s SER 38 Cb 0.07 1.05 -0.09 0.00 -1.71 0.00 0.00 66.02 65.33 2ain s SER 38 CO 0.73 -0.01 1.13 0.68 1.20 0.00 0.00 173.24 176.96 2ain s VAL 39 N 1.55 3.36 -0.01 4.45 -7.23 -1.26 -1.16 120.40 120.10 2ain s VAL 39 Ca -0.04 1.23 -0.17 0.00 -1.81 0.00 0.00 61.98 61.20 2ain s VAL 39 Cb -0.01 -3.73 -0.06 0.00 0.56 0.00 0.00 36.38 33.14 2ain s VAL 39 CO -0.13 0.19 0.47 -0.69 -0.31 0.00 0.00 175.10 174.62 2ain s VAL 40 N -1.34 4.99 0.72 1.32 1.01 0.24 -4.89 120.40 122.44 2ain s VAL 40 Ca 0.51 0.96 -0.16 0.00 0.00 0.00 0.00 61.98 63.30 2ain s VAL 40 Cb -0.30 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.33 2ain s VAL 40 CO 0.39 0.51 1.23 -0.75 0.00 0.00 0.00 175.10 176.48 2ain s LYS 41 N -0.69 2.16 -0.44 2.72 2.47 -1.26 -2.87 119.74 121.83 2ain s LYS 41 Ca 0.26 1.85 0.00 0.00 -1.56 0.00 0.00 55.97 56.52 2ain s LYS 41 Cb -0.17 -1.82 0.00 0.00 -1.46 0.00 0.00 37.83 34.37 2ain s LYS 41 CO 0.14 -1.84 0.00 0.41 0.16 0.00 0.00 175.35 174.22 2ain n GLY 42 N 0.57 0.66 3.93 5.54 0.00 -1.26 -5.01 105.19 109.61 2ain n GLY 42 Ca 0.14 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.45 1.44 0.37 -0.02 0.00 -1.14 -4.89 107.32 100.63 2ain s GLY 43 Ca 0.00 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 44.03 2ain s GLY 43 CO 0.00 -0.66 1.94 0.00 0.00 0.00 0.00 173.10 174.38 2ain h ALA 44 N 0.71 1.76 0.10 3.20 0.00 -1.38 0.12 119.26 123.77 2ain h ALA 44 Ca -0.49 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.12 2ain h ALA 44 Cb 1.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2ain h ALA 44 CO 0.62 0.10 -1.42 0.00 0.00 0.00 0.00 179.25 178.55 2ain h ALA 45 N 1.61 0.28 -0.14 0.00 0.00 -1.87 -3.11 119.26 116.03 2ain h ALA 45 Ca 0.34 -1.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 2ain h ALA 45 Cb 0.39 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2ain h ALA 45 CO -0.12 1.15 -0.06 0.22 0.00 0.00 0.00 179.25 180.44 2ain h ASP 46 N 0.06 0.30 -0.27 0.00 1.82 -1.66 -1.42 116.42 115.25 2ain h ASP 46 Ca -0.19 -0.40 -0.02 0.00 -0.39 0.00 0.00 57.03 56.03 2ain h ASP 46 Cb 1.97 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.89 2ain h ASP 46 CO 0.16 0.64 0.09 0.58 -1.61 0.00 0.00 179.24 179.10 2ain h VAL 47 N -0.03 1.19 -0.51 2.25 2.07 -0.94 -3.09 116.25 117.19 2ain h VAL 47 Ca 0.03 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2ain h VAL 47 Cb 0.52 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2ain h VAL 47 CO 0.02 0.20 0.24 0.44 0.02 0.00 0.00 177.57 178.49 2ain h ASP 48 N 0.27 0.68 -2.93 0.57 3.32 -1.58 -3.48 116.42 113.27 2ain h ASP 48 Ca 0.09 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2ain h ASP 48 Cb 0.22 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2ain h ASP 48 CO -0.00 0.62 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 2ain n GLY 49 N -0.90 0.33 0.75 2.75 0.00 -0.54 -5.03 105.19 102.56 2ain n GLY 49 Ca 0.02 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.22 0.22 -3.95 1.61 5.12 -1.24 -5.10 116.66 112.10 2ain n ARG 50 Ca 0.00 -1.59 0.05 0.00 -1.93 0.00 0.00 57.85 54.38 2ain n ARG 50 Cb 0.49 -0.52 0.01 0.00 -1.16 0.00 0.00 32.46 31.27 2ain n ARG 50 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2ain s LEU 51 N -0.48 -0.00 0.00 0.55 0.05 -1.26 -4.90 118.68 112.63 2ain s LEU 51 Ca 0.15 -0.01 -0.00 0.00 0.05 0.00 0.00 54.13 54.32 2ain s LEU 51 Cb 0.16 1.02 0.00 0.00 -2.05 0.00 0.00 46.19 45.32 2ain s LEU 51 CO -0.05 -0.01 0.00 0.00 -0.55 0.00 0.00 176.35 175.74 2ain n ALA 52 N -0.90 -0.01 -1.42 1.48 0.00 -1.26 -4.93 120.51 113.48 2ain n ALA 52 Ca 0.03 -0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 2ain n ALA 52 Cb 0.59 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.01 2.45 -1.32 0.00 0.00 -1.26 -3.75 121.76 116.87 2ain s ALA 53 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 2ain s ALA 53 Cb -0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2ain s ALA 53 CO 0.00 -1.52 0.11 0.41 0.00 0.00 0.00 175.76 174.77 2ain n GLY 54 N -1.61 -0.27 3.66 0.00 0.00 0.24 -4.90 105.19 102.31 2ain n GLY 54 Ca 0.08 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.40 6.12 -0.28 1.61 1.01 -1.25 -4.13 116.67 117.35 2ain s ASP 55 Ca 0.06 0.12 -0.29 0.00 0.71 0.00 0.00 52.55 53.14 2ain s ASP 55 Cb -0.02 -2.11 0.01 0.00 1.01 0.00 0.00 42.92 41.81 2ain s ASP 55 CO 0.07 0.05 1.09 -1.58 0.21 0.00 0.00 175.17 175.01 2ain s GLN 56 N 1.11 4.12 0.02 8.23 -0.44 -1.19 -2.08 119.66 129.43 2ain s GLN 56 Ca 0.08 1.20 -0.20 0.00 -2.50 0.00 0.00 55.36 53.93 2ain s GLN 56 Cb -0.14 -3.72 -0.06 0.00 -1.64 0.00 0.00 33.01 27.46 2ain s GLN 56 CO 0.05 -0.83 0.60 -0.51 0.50 0.00 0.00 175.29 175.10 2ain s LEU 57 N 3.56 4.44 -0.04 3.68 1.02 -1.24 -0.76 118.68 129.34 2ain s LEU 57 Ca 0.46 1.20 -0.07 0.00 0.02 0.00 0.00 54.13 55.74 2ain s LEU 57 Cb -0.14 -2.93 -0.02 0.00 0.02 0.00 0.00 46.19 43.12 2ain s LEU 57 CO 0.13 0.14 -0.14 -0.11 0.02 0.00 0.00 176.35 176.39 2ain n LEU 58 N 2.50 1.11 -4.19 1.79 -0.00 -0.34 -3.78 117.00 114.10 2ain n LEU 58 Ca -0.07 0.17 -0.22 0.00 -0.00 0.00 0.00 56.01 55.89 2ain n LEU 58 Cb 0.51 -0.48 -0.14 0.00 -0.00 0.00 0.00 43.42 43.31 2ain n LEU 58 CO 0.43 -0.49 -0.49 -0.44 -0.00 0.00 0.00 177.39 176.41 2ain s SER 59 N -5.49 1.99 -0.19 1.96 0.01 -1.26 -3.85 113.70 106.86 2ain s SER 59 Ca -0.12 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.67 2ain s SER 59 Cb 0.02 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.13 2ain s SER 59 CO 0.17 0.08 -0.17 -0.69 0.41 0.00 0.00 173.24 173.04 2ain s VAL 60 N -0.84 1.99 -1.66 3.43 1.01 -1.09 -2.42 120.40 120.82 2ain s VAL 60 Ca 0.04 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 2ain s VAL 60 Cb -0.08 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.44 2ain s VAL 60 CO 0.02 0.42 0.23 -0.67 0.00 0.00 0.00 175.10 175.10 2ain n ASP 61 N 4.62 -5.91 0.00 3.32 2.03 0.16 -1.24 116.55 119.53 2ain n ASP 61 Ca -0.19 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.00 2ain n ASP 61 Cb 0.49 -4.85 0.00 0.00 -0.72 0.00 0.00 41.12 36.04 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 -1.21 1.97 3.85 0.27 0.00 -1.26 -4.95 105.19 103.86 2ain n GLY 62 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.14 3.93 -0.55 1.61 0.52 -0.37 -5.02 118.95 118.92 2ain s ARG 63 Ca 0.00 0.91 -0.17 0.00 -0.52 0.00 0.00 55.73 55.94 2ain s ARG 63 Cb 0.00 -2.16 0.11 0.00 0.52 0.00 0.00 34.95 33.42 2ain s ARG 63 CO 0.00 -0.26 0.58 0.45 0.02 0.00 0.00 175.30 176.09 2ain s SER 64 N -3.11 6.19 -0.54 0.23 0.15 -1.26 -2.66 113.70 112.69 2ain s SER 64 Ca 0.58 -1.52 0.02 0.00 0.70 0.00 0.00 55.95 55.74 2ain s SER 64 Cb -0.10 -2.25 0.43 0.00 -1.71 0.00 0.00 66.02 62.39 2ain s SER 64 CO 0.32 -0.94 1.58 0.18 1.20 0.00 0.00 173.24 175.57 2ain n LEU 65 N 5.77 6.18 -4.28 3.45 4.77 -1.25 -4.94 117.00 126.69 2ain n LEU 65 Ca -0.11 -4.74 -0.45 0.00 -0.03 0.00 0.00 56.01 50.68 2ain n LEU 65 Cb 0.42 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 2ain n LEU 65 CO 0.55 1.89 0.10 -0.69 -1.33 0.00 0.00 177.39 177.91 2ain s VAL 66 N -4.97 4.95 0.00 4.08 1.01 -1.26 -4.28 120.40 119.93 2ain s VAL 66 Ca 0.54 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.95 2ain s VAL 66 Cb 0.44 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2ain s VAL 66 CO -0.12 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 174.75 2ain n GLY 67 N 5.16 0.63 3.59 4.51 0.00 -1.24 -4.75 105.19 113.09 2ain n GLY 67 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 1.34 0.63 0.99 1.43 -1.26 -4.40 118.68 117.42 2ain s LEU 68 Ca 0.00 1.41 -0.05 0.00 -1.03 0.00 0.00 54.13 54.46 2ain s LEU 68 Cb 0.00 -3.49 0.04 0.00 0.03 0.00 0.00 46.19 42.76 2ain s LEU 68 CO 0.00 -3.60 0.93 -0.55 0.23 0.00 0.00 176.35 173.35 2ain s SER 69 N -2.98 5.17 0.53 2.29 0.15 -1.26 -4.60 113.70 113.00 2ain s SER 69 Ca 0.67 0.45 0.20 0.00 0.70 0.00 0.00 55.95 57.97 2ain s SER 69 Cb -0.22 -1.27 1.36 0.00 -1.71 0.00 0.00 66.02 64.19 2ain s SER 69 CO 0.61 -1.33 2.11 -0.61 1.20 0.00 0.00 173.24 175.22 2ain h GLN 70 N -0.32 0.00 0.41 5.44 5.75 -1.97 -2.11 115.11 122.31 2ain h GLN 70 Ca -0.44 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.05 2ain h GLN 70 Cb 1.29 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.83 2ain h GLN 70 CO 0.59 0.00 -0.31 1.49 -2.65 0.00 0.00 178.83 177.95 2ain h GLU 71 N 0.00 -0.69 -0.32 1.69 4.22 -1.98 0.75 114.58 118.24 2ain h GLU 71 Ca 0.08 0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.55 2ain h GLU 71 Cb 0.33 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2ain h GLU 71 CO -0.00 -0.46 0.13 0.00 -2.18 0.00 0.00 179.01 176.50 2ain h ARG 72 N -0.72 0.48 0.77 1.92 2.47 -1.85 -1.83 114.38 115.62 2ain h ARG 72 Ca -0.04 -0.09 -0.04 0.00 -1.26 0.00 0.00 59.98 58.56 2ain h ARG 72 Cb 0.62 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2ain h ARG 72 CO -0.00 0.49 -0.42 0.00 0.56 0.00 0.00 179.97 180.60 2ain h ALA 73 N 0.97 -1.11 -0.61 0.04 0.00 -1.24 0.12 119.26 117.43 2ain h ALA 73 Ca 0.11 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.91 2ain h ALA 73 Cb 0.18 0.48 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 2ain h ALA 73 CO -0.01 -1.13 -0.03 0.00 0.00 0.00 0.00 179.25 178.08 2ain h ALA 74 N -0.91 0.56 0.78 0.00 0.00 0.52 0.34 119.26 120.56 2ain h ALA 74 Ca -0.10 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2ain h ALA 74 Cb 0.86 0.35 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2ain h ALA 74 CO 0.14 -0.40 -0.38 1.49 0.00 0.00 0.00 179.25 180.10 2ain h GLU 75 N 0.09 -1.01 -0.41 0.00 4.57 -1.18 -2.07 114.58 114.56 2ain h GLU 75 Ca 0.32 0.07 0.11 0.00 -1.18 0.00 0.00 59.36 58.67 2ain h GLU 75 Cb 0.51 0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 2ain h GLU 75 CO -0.55 -0.68 0.29 -0.07 -1.18 0.00 0.00 179.01 176.83 2ain h LEU 76 N -1.11 0.05 0.42 1.64 3.38 -0.71 0.20 115.31 119.19 2ain h LEU 76 Ca -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2ain h LEU 76 Cb 0.81 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2ain h LEU 76 CO 0.18 0.03 -0.20 0.24 0.09 0.00 0.00 178.44 178.78 2ain h MET 77 N 0.06 -0.54 -0.50 1.13 2.86 -0.17 -3.20 114.93 114.56 2ain h MET 77 Ca 0.19 0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 2ain h MET 77 Cb 0.70 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 2ain h MET 77 CO -0.01 -0.36 0.19 0.00 1.06 0.00 0.00 176.91 177.79 2ain h THR 78 N -0.74 1.19 -0.52 2.22 1.03 -1.21 -2.94 112.91 111.95 2ain h THR 78 Ca -0.06 -0.60 -0.33 0.00 -0.01 0.00 0.00 66.41 65.41 2ain h THR 78 Cb 0.43 0.61 -0.12 0.00 -1.07 0.00 0.00 68.15 67.99 2ain h THR 78 CO 0.09 0.23 0.01 0.54 -0.01 0.00 0.00 175.52 176.39 2ain n ARG 79 N -4.34 2.16 -2.70 0.00 1.74 0.70 -4.92 116.66 109.29 2ain n ARG 79 Ca 0.04 -1.62 -0.21 0.00 -0.77 0.00 0.00 57.85 55.29 2ain n ARG 79 Cb 0.16 -2.03 0.03 0.00 -1.02 0.00 0.00 32.46 29.61 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 -0.66 2.80 0.00 0.55 -4.23 -1.11 -4.80 115.64 108.18 2ain s THR 80 Ca 0.60 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2ain s THR 80 Cb 0.34 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 71.14 2ain s THR 80 CO -0.11 -0.03 0.00 -1.20 -0.54 0.00 0.00 174.62 172.75 2ain n SER 81 N -2.28 -0.45 -0.04 3.99 7.64 -1.26 -4.94 113.62 116.27 2ain n SER 81 Ca 0.07 -0.71 -0.09 0.00 1.01 0.00 0.00 58.87 59.15 2ain n SER 81 Cb 0.59 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.76 2ain n SER 81 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2ain h SER 82 N -0.45 -0.98 -3.65 6.43 0.02 -1.99 -3.41 113.55 109.52 2ain h SER 82 Ca 0.00 0.16 -0.51 0.00 -0.84 0.00 0.00 61.79 60.60 2ain h SER 82 Cb 0.00 0.44 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 2ain h SER 82 CO 0.00 -0.33 0.10 0.54 -1.14 0.00 0.00 176.83 176.00 2ain s VAL 83 N -6.01 4.62 -0.24 2.27 0.11 -1.26 -3.04 120.40 116.84 2ain s VAL 83 Ca -0.15 1.12 0.02 0.00 -2.93 0.00 0.00 61.98 60.04 2ain s VAL 83 Cb 0.11 -3.74 0.05 0.00 -1.53 0.00 0.00 36.38 31.28 2ain s VAL 83 CO 0.67 0.02 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.66 2ain s VAL 84 N -1.75 1.95 -0.37 2.04 1.01 0.21 -4.95 120.40 118.55 2ain s VAL 84 Ca 0.48 -1.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 2ain s VAL 84 Cb -0.14 -2.06 0.07 0.00 0.00 0.00 0.00 36.38 34.26 2ain s VAL 84 CO 0.19 0.04 0.15 0.42 0.00 0.00 0.00 175.10 175.90 2ain s THR 85 N 1.22 3.55 -0.11 3.92 -4.23 -1.26 -2.19 115.64 116.54 2ain s THR 85 Ca -0.06 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 58.94 2ain s THR 85 Cb -0.19 -3.18 -0.01 0.00 1.34 0.00 0.00 72.50 70.46 2ain s THR 85 CO -0.06 -0.39 -0.15 -0.76 -0.54 0.00 0.00 174.62 172.71 2ain s LEU 86 N 1.30 2.60 -0.64 4.79 1.02 -1.14 0.41 118.68 127.01 2ain s LEU 86 Ca 0.01 -0.36 -0.13 0.00 0.02 0.00 0.00 54.13 53.68 2ain s LEU 86 Cb -0.21 -1.57 0.16 0.00 0.02 0.00 0.00 46.19 44.59 2ain s LEU 86 CO -0.00 0.18 0.57 -1.61 0.02 0.00 0.00 176.35 175.51 2ain s GLU 87 N 0.23 3.10 0.67 1.70 2.02 -1.01 -1.48 118.70 123.92 2ain s GLU 87 Ca -0.10 -2.07 -0.03 0.00 0.02 0.00 0.00 54.97 52.80 2ain s GLU 87 Cb -0.16 -4.24 0.08 0.00 0.10 0.00 0.00 34.13 29.91 2ain s GLU 87 CO 0.06 -1.28 0.94 0.14 0.02 0.00 0.00 175.26 175.14 2ain s VAL 88 N 0.89 2.35 -0.12 2.63 -7.23 0.45 -1.19 120.40 118.18 2ain s VAL 88 Ca 0.10 -0.48 -0.01 0.00 -1.81 0.00 0.00 61.98 59.78 2ain s VAL 88 Cb -0.21 -2.87 0.03 0.00 0.56 0.00 0.00 36.38 33.89 2ain s VAL 88 CO -0.03 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 174.71 2ain s ALA 89 N -3.09 1.26 -0.38 1.32 0.00 0.06 -0.04 121.76 120.88 2ain s ALA 89 Ca 0.62 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.73 2ain s ALA 89 Cb -0.09 -0.94 -0.09 0.00 0.00 0.00 0.00 23.12 22.01 2ain s ALA 89 CO 0.43 -0.52 2.30 1.17 0.00 0.00 0.00 175.76 179.14 2ain n LYS 90 N 4.96 1.30 -0.99 0.00 3.00 -0.72 -3.16 118.16 122.56 2ain n LYS 90 Ca -0.11 0.28 -0.27 0.00 -0.00 0.00 0.00 58.31 58.20 2ain n LYS 90 Cb 0.49 -2.92 0.22 0.00 0.00 0.00 0.00 35.03 32.83 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 8.63 -2.83 0.00 1.64 -0.06 -1.26 -4.32 117.38 119.18 2ain n GLN 91 Ca 0.38 -1.60 0.00 0.00 -2.00 0.00 0.00 57.00 53.78 2ain n GLN 91 Cb 0.37 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 25.09 2ain n GLN 91 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ain n GLY 92 N -4.00 4.22 0.00 1.69 0.00 -1.26 -5.07 105.19 100.78 2ain n GLY 92 Ca 0.14 -1.34 0.14 0.00 0.00 0.00 0.00 46.02 44.96 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32