#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 2.56 -2.80 2.12 4.81 -1.26 -4.97 118.16 118.61 2ain n LYS 2 Ca 0.00 -3.22 -0.42 0.00 -0.87 0.00 0.00 58.31 53.80 2ain n LYS 2 Cb 0.00 -2.24 -0.03 0.00 0.02 0.00 0.00 35.03 32.77 2ain n LYS 2 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2ain s GLU 3 N -3.64 4.33 0.00 1.64 2.12 -1.26 -5.05 118.70 116.84 2ain s GLU 3 Ca 0.62 1.17 0.00 0.00 0.36 0.00 0.00 54.97 57.11 2ain s GLU 3 Cb 0.50 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 31.32 2ain s GLU 3 CO 0.03 -0.35 0.00 -2.30 -0.54 0.00 0.00 175.26 172.10 2ain n PRO 4 N 5.26 -0.64 -3.60 4.30 -0.02 -1.26 -4.96 135.00 134.08 2ain n PRO 4 Ca 0.06 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.15 2ain n PRO 4 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.89 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 -1.80 2.87 -0.04 -0.52 2.12 -1.26 -4.98 118.70 115.09 2ain s GLU 5 Ca 0.00 -2.48 -0.15 0.00 0.36 0.00 0.00 54.97 52.69 2ain s GLU 5 Cb 0.00 -3.95 -0.05 0.00 0.26 0.00 0.00 34.13 30.39 2ain s GLU 5 CO 0.00 -1.21 0.41 0.42 -0.54 0.00 0.00 175.26 174.34 2ain s ILE 6 N 0.06 5.10 0.03 -3.70 1.01 -1.26 -0.35 121.20 122.08 2ain s ILE 6 Ca 0.17 0.83 -0.08 0.00 0.00 0.00 0.00 60.65 61.57 2ain s ILE 6 Cb -0.17 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2ain s ILE 6 CO -0.05 0.50 0.16 0.27 0.00 0.00 0.00 174.94 175.82 2ain s ILE 7 N -0.53 0.11 -0.04 2.92 -4.36 -0.71 -4.99 121.20 113.59 2ain s ILE 7 Ca 0.23 -0.87 0.02 0.00 -0.26 0.00 0.00 60.65 59.78 2ain s ILE 7 Cb -0.16 -0.75 -0.03 0.00 1.25 0.00 0.00 42.46 42.77 2ain s ILE 7 CO 0.12 -0.48 -0.08 -0.89 0.24 0.00 0.00 174.94 173.85 2ain s THR 8 N -2.17 3.57 -0.07 8.37 2.01 -1.26 -1.19 115.64 124.90 2ain s THR 8 Ca -0.08 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.36 2ain s THR 8 Cb -0.03 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 2ain s THR 8 CO -0.02 0.54 -0.24 0.68 -0.69 0.00 0.00 174.62 174.89 2ain s VAL 9 N -0.85 1.98 -0.56 3.82 -7.23 -0.57 -4.98 120.40 112.02 2ain s VAL 9 Ca 0.13 -1.01 -0.06 0.00 -1.81 0.00 0.00 61.98 59.24 2ain s VAL 9 Cb -0.11 -1.69 0.14 0.00 0.56 0.00 0.00 36.38 35.28 2ain s VAL 9 CO 0.03 0.55 0.40 -0.89 -0.31 0.00 0.00 175.10 174.88 2ain s THR 10 N 0.03 3.97 0.45 5.32 2.01 -1.26 -2.52 115.64 123.63 2ain s THR 10 Ca -0.09 -2.38 0.05 0.00 0.31 0.00 0.00 61.69 59.58 2ain s THR 10 Cb -0.15 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2ain s THR 10 CO 0.05 -0.83 0.12 -0.76 -0.69 0.00 0.00 174.62 172.52 2ain s LEU 11 N 0.62 2.79 0.30 4.42 1.43 -1.13 -4.91 118.68 122.20 2ain s LEU 11 Ca 0.12 -1.32 0.06 0.00 -1.03 0.00 0.00 54.13 51.95 2ain s LEU 11 Cb -0.21 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 2ain s LEU 11 CO -0.03 -0.67 0.44 -0.54 0.23 0.00 0.00 176.35 175.77 2ain s LYS 12 N -3.90 3.25 -0.70 1.70 1.02 -1.26 0.53 119.74 120.38 2ain s LYS 12 Ca 0.29 -0.87 -0.27 0.00 0.02 0.00 0.00 55.97 55.14 2ain s LYS 12 Cb 0.04 -2.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.53 2ain s LYS 12 CO 0.16 0.19 1.42 0.21 -0.92 0.00 0.00 175.35 176.42 2ain s LYS 13 N -4.12 3.07 -1.18 1.68 2.20 0.14 -4.78 119.74 116.75 2ain s LYS 13 Ca 0.41 -0.01 -0.13 0.00 -0.36 0.00 0.00 55.97 55.88 2ain s LYS 13 Cb -0.09 -4.22 0.19 0.00 -1.51 0.00 0.00 37.83 32.19 2ain s LYS 13 CO 0.31 -2.27 1.36 -1.14 -0.36 0.00 0.00 175.35 173.25 2ain s GLN 14 N 6.03 4.10 -1.57 4.03 2.00 -1.26 -4.45 119.66 128.54 2ain s GLN 14 Ca 0.43 -2.69 -0.04 0.00 -2.00 0.00 0.00 55.36 51.06 2ain s GLN 14 Cb -0.09 -4.96 0.01 0.00 0.80 0.00 0.00 33.01 28.77 2ain s GLN 14 CO 0.17 -1.66 0.53 -1.71 -0.50 0.00 0.00 175.29 172.12 2ain n ASN 15 N 5.09 -5.96 0.00 6.67 2.85 -1.26 -4.53 115.26 118.11 2ain n ASN 15 Ca 0.34 -0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 2ain n ASN 15 Cb 0.42 -4.83 0.00 0.00 1.24 0.00 0.00 39.78 36.61 2ain n ASN 15 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2ain n GLY 16 N -1.44 1.45 0.36 8.20 0.00 -1.26 -4.85 105.19 107.65 2ain n GLY 16 Ca -0.12 -1.72 -0.17 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.82 -4.14 1.61 2.86 -1.96 -3.38 114.93 109.09 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 0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2ain h MET 17 CO 0.00 -0.55 -0.07 0.41 1.06 0.00 0.00 176.91 177.77 2ain n GLY 18 N -1.47 -0.82 3.82 8.32 0.00 -1.26 -3.39 105.19 110.38 2ain n GLY 18 Ca -0.13 0.25 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.65 -0.02 -0.05 0.99 0.05 -1.26 0.13 118.68 115.87 2ain s LEU 19 Ca 0.03 -1.07 0.00 0.00 0.05 0.00 0.00 54.13 53.14 2ain s LEU 19 Cb -0.01 2.79 0.02 0.00 -2.05 0.00 0.00 46.19 46.94 2ain s LEU 19 CO 0.37 -1.62 -0.02 -0.44 -0.55 0.00 0.00 176.35 174.09 2ain s SER 20 N -3.08 1.11 -0.11 1.48 0.01 0.58 -4.80 113.70 108.89 2ain s SER 20 Ca 0.16 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.34 2ain s SER 20 Cb -0.05 -0.42 -0.00 0.00 0.21 0.00 0.00 66.02 65.76 2ain s SER 20 CO 0.11 -0.11 -0.20 0.27 0.41 0.00 0.00 173.24 173.71 2ain s ILE 21 N 1.30 2.38 -0.08 1.44 -5.25 -1.26 0.87 121.20 120.60 2ain s ILE 21 Ca -0.05 -0.90 0.01 0.00 -0.99 0.00 0.00 60.65 58.72 2ain s ILE 21 Cb -0.13 -1.94 -0.02 0.00 2.95 0.00 0.00 42.46 43.31 2ain s ILE 21 CO -0.02 0.55 -0.11 -0.69 -1.79 0.00 0.00 174.94 172.88 2ain s VAL 22 N 0.37 3.34 -0.27 8.37 1.01 0.16 -4.84 120.40 128.54 2ain s VAL 22 Ca -0.16 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 2ain s VAL 22 Cb -0.17 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2ain s VAL 22 CO 0.07 0.57 0.39 0.00 0.00 0.00 0.00 175.10 176.13 2ain s ALA 23 N -0.41 3.57 0.05 5.51 0.00 -1.26 -1.15 121.76 128.06 2ain s ALA 23 Ca 0.05 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.26 2ain s ALA 23 Cb -0.12 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 2ain s ALA 23 CO 0.02 -0.67 -0.11 0.00 0.00 0.00 0.00 175.76 175.00 2ain s ALA 24 N 2.10 0.91 0.48 0.00 0.00 -1.25 -5.03 121.76 118.96 2ain s ALA 24 Ca 0.16 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2ain s ALA 24 Cb -0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 2ain s ALA 24 CO 0.10 0.10 0.07 1.17 0.00 0.00 0.00 175.76 177.20 2ain n LYS 25 N 1.56 0.66 0.00 0.00 4.81 -1.26 -3.94 118.16 119.99 2ain n LYS 25 Ca -0.21 -3.71 0.00 0.00 -0.87 0.00 0.00 58.31 53.53 2ain n LYS 25 Cb 0.55 1.42 0.00 0.00 0.02 0.00 0.00 35.03 37.01 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 -1.10 3.15 3.74 3.14 0.00 -1.26 -5.14 105.19 107.73 2ain n GLY 26 Ca -0.15 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 3.47 -1.59 4.61 0.00 -1.26 -4.46 121.76 121.53 2ain s ALA 27 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 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 0.72 0.37 0.41 0.00 0.00 0.00 175.76 177.25 2ain n GLY 28 N 0.73 -0.47 2.82 0.00 0.00 -1.26 -4.97 105.19 102.03 2ain n GLY 28 Ca -0.11 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -5.41 1.00 -0.15 1.61 2.00 -1.26 -4.98 119.66 112.48 2ain s GLN 29 Ca 0.18 -1.09 0.07 0.00 -2.00 0.00 0.00 55.36 52.52 2ain s GLN 29 Cb -0.08 -2.31 0.43 0.00 0.80 0.00 0.00 33.01 31.85 2ain s GLN 29 CO 0.23 -0.85 1.22 -3.47 -0.50 0.00 0.00 175.29 171.92 2ain n ASP 30 N 4.75 3.53 -0.82 6.67 -0.08 -1.26 -4.82 116.55 124.52 2ain n ASP 30 Ca -0.04 -2.56 0.00 0.00 -1.51 0.00 0.00 54.79 50.68 2ain n ASP 30 Cb 0.43 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.28 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 0.22 0.00 -3.70 -0.67 4.01 -1.26 -4.77 118.16 111.99 2ain n LYS 31 Ca 0.18 0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.81 2ain n LYS 31 Cb 0.82 0.00 -0.16 0.00 -0.51 0.00 0.00 35.03 35.18 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 0.34 -0.32 -0.35 2.96 -1.26 -4.84 118.68 115.21 2ain s LEU 32 Ca 0.00 0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 53.98 2ain s LEU 32 Cb 0.00 0.15 -0.02 0.00 0.50 0.00 0.00 46.19 46.82 2ain s LEU 32 CO 0.00 -0.21 0.36 -0.83 -1.32 0.00 0.00 176.35 174.35 2ain s GLY 33 N 1.81 1.89 -1.07 7.98 0.00 -1.25 -4.28 107.32 112.40 2ain s GLY 33 Ca -0.01 -1.08 -0.22 0.00 0.00 0.00 0.00 44.72 43.41 2ain s GLY 33 CO -0.05 0.98 1.62 -0.42 0.00 0.00 0.00 173.10 175.23 2ain s ILE 34 N 2.03 3.87 0.75 0.90 -1.09 -1.26 -3.76 121.20 122.65 2ain s ILE 34 Ca 0.13 -0.97 -0.11 0.00 -2.23 0.00 0.00 60.65 57.47 2ain s ILE 34 Cb -0.16 -4.90 0.04 0.00 -1.58 0.00 0.00 42.46 35.85 2ain s ILE 34 CO 0.11 -1.75 1.08 -0.31 -1.23 0.00 0.00 174.94 172.84 2ain s TYR 35 N 5.94 2.97 -0.40 3.97 2.02 -0.30 -1.87 117.35 129.67 2ain s TYR 35 Ca 0.53 1.29 -0.11 0.00 -0.37 0.00 0.00 57.07 58.40 2ain s TYR 35 Cb -0.00 -3.00 0.05 0.00 -0.40 0.00 0.00 41.96 38.61 2ain s TYR 35 CO -0.03 -1.50 0.25 0.08 -1.57 0.00 0.00 175.55 172.78 2ain s VAL 36 N -3.10 4.59 0.11 0.71 1.01 -0.15 0.37 120.40 123.94 2ain s VAL 36 Ca 0.59 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 2ain s VAL 36 Cb -0.14 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 2ain s VAL 36 CO 0.55 -0.36 1.68 0.50 0.00 0.00 0.00 175.10 177.46 2ain h LYS 37 N 8.48 0.37 -1.23 2.72 3.64 0.16 0.43 116.57 131.13 2ain h LYS 37 Ca -0.25 -0.06 0.16 0.00 -1.27 0.00 0.00 60.65 59.23 2ain h LYS 37 Cb 1.10 -0.07 -0.31 0.00 -0.41 0.00 0.00 32.23 32.54 2ain h LYS 37 CO 0.72 0.37 0.72 -1.54 -2.27 0.00 0.00 179.45 177.46 2ain s SER 38 N -5.61 -0.19 0.07 4.20 1.04 -1.12 -4.29 113.70 107.80 2ain s SER 38 Ca -0.13 0.34 -0.22 0.00 0.48 0.00 0.00 55.95 56.42 2ain s SER 38 Cb 0.08 0.51 -0.06 0.00 0.10 0.00 0.00 66.02 66.64 2ain s SER 38 CO 0.72 -0.06 0.65 -0.69 0.98 0.00 0.00 173.24 174.84 2ain s VAL 39 N 0.32 4.70 0.30 5.02 1.01 -1.26 -0.30 120.40 130.18 2ain s VAL 39 Ca 0.03 1.40 -0.28 0.00 0.00 0.00 0.00 61.98 63.13 2ain s VAL 39 Cb -0.04 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 2ain s VAL 39 CO -0.13 0.48 1.04 -0.69 0.00 0.00 0.00 175.10 175.81 2ain s VAL 40 N -0.71 3.71 0.69 2.92 1.01 0.34 -4.90 120.40 123.46 2ain s VAL 40 Ca 0.33 1.60 -0.16 0.00 0.00 0.00 0.00 61.98 63.74 2ain s VAL 40 Cb -0.20 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.23 2ain s VAL 40 CO 0.21 0.29 1.21 -0.54 0.00 0.00 0.00 175.10 176.27 2ain s LYS 41 N -1.68 2.36 -1.34 2.72 -0.14 -1.26 -2.89 119.74 117.50 2ain s LYS 41 Ca 0.47 1.79 0.00 0.00 -1.36 0.00 0.00 55.97 56.87 2ain s LYS 41 Cb -0.28 -1.86 0.00 0.00 -1.68 0.00 0.00 37.83 34.02 2ain s LYS 41 CO 0.35 -1.68 0.00 0.41 -0.76 0.00 0.00 175.35 173.67 2ain n GLY 42 N 0.42 1.34 0.00 -3.33 0.00 -1.26 -5.00 105.19 97.37 2ain n GLY 42 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2ain n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ain n GLY 43 N -1.23 0.66 0.11 -0.02 0.00 -1.14 -4.95 105.19 98.61 2ain n GLY 43 Ca -0.13 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 2ain n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ain n ALA 44 N -3.00 1.38 0.03 4.61 0.00 -1.22 -4.03 120.51 118.29 2ain n ALA 44 Ca 0.00 -1.06 -0.13 0.00 0.00 0.00 0.00 53.44 52.25 2ain n ALA 44 Cb 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.99 2ain n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ain h ALA 45 N 0.49 0.46 -0.61 0.00 0.00 -1.92 -2.90 119.26 114.78 2ain h ALA 45 Ca -0.51 -1.23 -0.07 0.00 0.00 0.00 0.00 54.91 53.10 2ain h ALA 45 Cb 2.06 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 20.15 2ain h ALA 45 CO 0.00 1.32 0.09 0.22 0.00 0.00 0.00 179.25 180.88 2ain h ASP 46 N 0.04 0.98 0.21 0.00 1.82 -1.83 -1.28 116.42 116.36 2ain h ASP 46 Ca -0.24 -0.26 -0.28 0.00 -0.39 0.00 0.00 57.03 55.86 2ain h ASP 46 Cb 1.98 -0.26 0.03 0.00 0.68 0.00 0.00 39.33 41.76 2ain h ASP 46 CO 0.12 1.00 -1.21 0.58 -1.61 0.00 0.00 179.24 178.12 2ain h VAL 47 N 0.93 1.38 0.48 2.25 2.07 -1.71 -3.36 116.25 118.28 2ain h VAL 47 Ca 0.19 -2.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.05 2ain h VAL 47 Cb 0.44 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 2ain h VAL 47 CO 0.01 0.77 -0.23 0.44 0.02 0.00 0.00 177.57 178.58 2ain h ASP 48 N -0.06 -0.55 -0.21 0.57 5.19 -1.52 -3.48 116.42 116.36 2ain h ASP 48 Ca -0.21 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 2ain h ASP 48 Cb 1.96 0.14 0.00 0.00 0.18 0.00 0.00 39.33 41.61 2ain h ASP 48 CO 0.23 -0.34 0.00 0.61 -3.12 0.00 0.00 179.24 176.62 2ain n GLY 49 N -1.16 0.50 0.37 2.75 0.00 -0.49 -5.07 105.19 102.10 2ain n GLY 49 Ca -0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.10 0.38 -4.34 1.61 5.12 -1.24 -5.04 116.66 113.04 2ain n ARG 50 Ca 0.00 0.16 -0.29 0.00 -1.93 0.00 0.00 57.85 55.78 2ain n ARG 50 Cb 0.05 -1.17 -0.12 0.00 -1.16 0.00 0.00 32.46 30.07 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 -7.54 2.60 0.00 0.55 0.05 -1.26 -5.13 118.68 107.95 2ain s LEU 51 Ca -0.22 -0.60 0.01 0.00 0.05 0.00 0.00 54.13 53.37 2ain s LEU 51 Cb 0.04 -1.47 -0.00 0.00 -2.05 0.00 0.00 46.19 42.71 2ain s LEU 51 CO 0.31 0.18 0.03 0.00 -0.55 0.00 0.00 176.35 176.32 2ain n ALA 52 N 0.86 0.26 -2.26 1.48 0.00 -1.26 -4.72 120.51 114.87 2ain n ALA 52 Ca -0.16 -1.21 -0.42 0.00 0.00 0.00 0.00 53.44 51.65 2ain n ALA 52 Cb 0.53 0.71 -0.03 0.00 0.00 0.00 0.00 19.45 20.65 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 -2.52 3.46 0.00 0.00 0.00 -1.26 -3.49 121.76 117.95 2ain s ALA 53 Ca 0.04 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.96 2ain s ALA 53 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2ain s ALA 53 CO 0.03 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.72 2ain n GLY 54 N 3.08 1.44 3.97 0.00 0.00 0.15 -5.01 105.19 108.82 2ain n GLY 54 Ca 0.09 -0.22 -0.19 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 -2.23 5.39 -0.04 1.61 1.11 -1.23 -4.12 116.67 117.17 2ain s ASP 55 Ca 0.00 -0.59 0.07 0.00 0.18 0.00 0.00 52.55 52.21 2ain s ASP 55 Cb 0.00 -0.48 -0.02 0.00 1.07 0.00 0.00 42.92 43.50 2ain s ASP 55 CO 0.00 -0.82 -0.25 -1.58 1.18 0.00 0.00 175.17 173.70 2ain s GLN 56 N -4.33 2.28 0.28 8.23 -0.44 -1.26 -0.98 119.66 123.44 2ain s GLN 56 Ca 0.53 -0.91 0.06 0.00 -2.50 0.00 0.00 55.36 52.55 2ain s GLN 56 Cb -0.07 -2.07 -0.02 0.00 -1.64 0.00 0.00 33.01 29.20 2ain s GLN 56 CO 0.32 0.47 0.37 -0.51 0.50 0.00 0.00 175.29 176.44 2ain s LEU 57 N -0.40 4.07 0.10 3.68 1.43 -0.78 -0.77 118.68 126.01 2ain s LEU 57 Ca 0.04 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2ain s LEU 57 Cb -0.12 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.41 2ain s LEU 57 CO 0.01 -0.21 0.00 0.18 0.23 0.00 0.00 176.35 176.56 2ain n LEU 58 N -1.45 -0.17 -4.32 1.79 4.77 -0.66 -4.08 117.00 112.89 2ain n LEU 58 Ca -0.05 0.18 -0.25 0.00 -0.03 0.00 0.00 56.01 55.86 2ain n LEU 58 Cb 0.58 0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 41.80 2ain n LEU 58 CO 0.43 -0.57 -0.52 -0.44 -1.33 0.00 0.00 177.39 174.96 2ain s SER 59 N -4.78 2.73 -0.02 -1.43 0.01 -1.24 -1.41 113.70 107.56 2ain s SER 59 Ca 0.00 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2ain s SER 59 Cb 0.00 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.09 2ain s SER 59 CO 0.00 0.07 0.01 -0.69 0.41 0.00 0.00 173.24 173.04 2ain s VAL 60 N -1.31 0.03 -1.47 3.43 1.01 0.38 -0.92 120.40 121.55 2ain s VAL 60 Ca 0.10 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 2ain s VAL 60 Cb -0.09 -0.11 0.07 0.00 0.00 0.00 0.00 36.38 36.24 2ain s VAL 60 CO 0.05 0.08 0.80 0.47 0.00 0.00 0.00 175.10 176.50 2ain n ASP 61 N 3.81 -4.84 -0.93 3.32 9.92 0.16 -0.98 116.55 127.00 2ain n ASP 61 Ca -0.23 -0.58 -0.09 0.00 -0.53 0.00 0.00 54.79 53.36 2ain n ASP 61 Cb 0.53 -3.90 -0.01 0.00 -0.64 0.00 0.00 41.12 37.10 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 -1.54 0.32 3.19 0.44 0.00 -1.23 -4.95 105.19 101.42 2ain n GLY 62 Ca 0.00 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.94 0.96 -0.01 1.61 0.52 -0.15 -5.14 118.95 112.80 2ain s ARG 63 Ca 0.00 -0.93 -0.20 0.00 -0.52 0.00 0.00 55.73 54.08 2ain s ARG 63 Cb 0.00 -1.03 -0.05 0.00 0.52 0.00 0.00 34.95 34.39 2ain s ARG 63 CO 0.00 0.24 0.56 -1.12 0.02 0.00 0.00 175.30 175.00 2ain s SER 64 N -1.54 6.93 -0.38 0.23 0.01 -1.26 -0.47 113.70 117.23 2ain s SER 64 Ca 0.02 1.11 0.11 0.00 1.31 0.00 0.00 55.95 58.50 2ain s SER 64 Cb -0.09 -2.34 0.44 0.00 0.21 0.00 0.00 66.02 64.23 2ain s SER 64 CO 0.02 0.12 1.03 0.18 0.41 0.00 0.00 173.24 175.01 2ain n LEU 65 N 2.68 3.07 -4.38 2.44 4.32 -0.50 -4.95 117.00 119.68 2ain n LEU 65 Ca -0.08 -4.47 -0.45 0.00 -0.02 0.00 0.00 56.01 51.00 2ain n LEU 65 Cb 0.51 -0.01 -0.04 0.00 -1.62 0.00 0.00 43.42 42.25 2ain n LEU 65 CO 0.43 1.90 0.45 -0.69 -1.22 0.00 0.00 177.39 178.26 2ain s VAL 66 N -4.33 4.79 0.00 4.08 1.01 -1.26 -4.06 120.40 120.63 2ain s VAL 66 Ca 0.38 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2ain s VAL 66 Cb 0.43 -4.52 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2ain s VAL 66 CO -0.08 -1.17 0.00 0.61 0.00 0.00 0.00 175.10 174.47 2ain n GLY 67 N 5.27 1.47 3.38 4.51 0.00 -1.26 -4.87 105.19 113.68 2ain n GLY 67 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 2.41 0.65 0.99 1.43 -1.26 -4.82 118.68 118.09 2ain s LEU 68 Ca 0.00 -0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 52.14 2ain s LEU 68 Cb 0.00 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 2ain s LEU 68 CO 0.00 0.07 1.05 -0.44 0.23 0.00 0.00 176.35 177.26 2ain s SER 69 N -2.54 5.61 0.59 2.29 0.01 -1.26 -4.59 113.70 113.80 2ain s SER 69 Ca 0.17 1.66 0.29 0.00 1.31 0.00 0.00 55.95 59.38 2ain s SER 69 Cb -0.08 -2.51 1.68 0.00 0.21 0.00 0.00 66.02 65.33 2ain s SER 69 CO 0.08 -1.29 2.12 -0.61 0.41 0.00 0.00 173.24 173.96 2ain h GLN 70 N -0.28 0.00 -0.13 12.44 4.15 -1.97 -2.21 115.11 127.10 2ain h GLN 70 Ca -0.45 0.00 0.02 0.00 0.77 0.00 0.00 58.65 58.99 2ain h GLN 70 Cb 1.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 2ain h GLN 70 CO 0.57 0.00 0.01 0.93 -1.93 0.00 0.00 178.83 178.41 2ain h GLU 71 N 0.00 0.05 0.13 1.69 5.08 -1.98 0.71 114.58 120.26 2ain h GLU 71 Ca 0.07 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2ain h GLU 71 Cb 0.41 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2ain h GLU 71 CO -0.00 0.03 -0.06 0.00 -1.00 0.00 0.00 179.01 177.98 2ain h ARG 72 N 0.05 -0.17 -0.18 2.33 -0.00 -1.78 -1.44 114.38 113.19 2ain h ARG 72 Ca 0.06 0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.56 2ain h ARG 72 Cb 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.06 2ain h ARG 72 CO -0.10 0.15 0.10 0.00 0.00 0.00 0.00 179.97 180.12 2ain h ALA 73 N 0.31 0.22 0.60 0.04 0.00 -1.42 0.06 119.26 119.07 2ain h ALA 73 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2ain h ALA 73 Cb 0.40 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ain h ALA 73 CO 0.03 -0.33 -0.35 0.00 0.00 0.00 0.00 179.25 178.61 2ain h ALA 74 N 1.09 -0.90 0.04 0.00 0.00 0.39 0.22 119.26 120.09 2ain h ALA 74 Ca 0.07 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2ain h ALA 74 Cb 0.01 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2ain h ALA 74 CO -0.04 -1.02 -0.20 0.93 0.00 0.00 0.00 179.25 178.92 2ain h GLU 75 N -0.89 -0.33 -0.22 0.00 3.07 -1.21 0.76 114.58 115.77 2ain h GLU 75 Ca -0.07 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2ain h GLU 75 Cb 0.71 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 2ain h GLU 75 CO 0.09 -0.22 0.12 -0.07 -1.40 0.00 0.00 179.01 177.53 2ain h LEU 76 N -0.34 0.26 0.30 1.33 3.38 -0.95 0.99 115.31 120.29 2ain h LEU 76 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2ain h LEU 76 Cb 0.40 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2ain h LEU 76 CO -0.16 0.22 -0.15 0.24 0.09 0.00 0.00 178.44 178.68 2ain h MET 77 N 0.31 -0.39 -0.78 1.13 2.86 0.37 -3.28 114.93 115.14 2ain h MET 77 Ca 0.08 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.85 2ain h MET 77 Cb 0.01 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 2ain h MET 77 CO -0.01 -0.26 0.51 0.00 1.06 0.00 0.00 176.91 178.21 2ain h THR 78 N -0.68 0.93 -0.71 2.22 1.03 -0.84 -2.58 112.91 112.28 2ain h THR 78 Ca -0.04 -0.23 -0.47 0.00 -0.01 0.00 0.00 66.41 65.65 2ain h THR 78 Cb 0.31 0.19 -0.12 0.00 -1.07 0.00 0.00 68.15 67.46 2ain h THR 78 CO 0.07 0.12 0.83 0.54 -0.01 0.00 0.00 175.52 177.07 2ain n ARG 79 N -4.50 2.79 -2.79 0.00 1.74 0.34 -4.94 116.66 109.29 2ain n ARG 79 Ca 0.13 -2.17 -0.21 0.00 -0.77 0.00 0.00 57.85 54.83 2ain n ARG 79 Cb 0.35 -2.25 0.03 0.00 -1.02 0.00 0.00 32.46 29.57 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 -0.82 3.08 0.00 0.55 -4.23 -0.97 -4.85 115.64 108.39 2ain s THR 80 Ca 0.61 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 2ain s THR 80 Cb 0.32 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 71.02 2ain s THR 80 CO -0.13 -0.09 0.00 -1.20 -0.54 0.00 0.00 174.62 172.66 2ain n SER 81 N -2.20 0.00 0.25 3.99 7.64 -1.26 -4.96 113.62 117.08 2ain n SER 81 Ca 0.06 -0.31 0.14 0.00 1.01 0.00 0.00 58.87 59.77 2ain n SER 81 Cb 0.59 0.00 0.82 0.00 -1.01 0.00 0.00 64.21 64.61 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 0.00 0.00 -2.90 6.43 0.02 -1.97 -3.42 113.55 111.71 2ain h SER 82 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 2ain h SER 82 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 2ain h SER 82 CO 0.00 0.00 -0.49 -0.69 -1.14 0.00 0.00 176.83 174.51 2ain s VAL 83 N -4.76 5.39 -0.50 2.27 1.01 -1.26 0.29 120.40 122.83 2ain s VAL 83 Ca -0.05 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2ain s VAL 83 Cb 0.16 -3.61 0.14 0.00 0.00 0.00 0.00 36.38 33.07 2ain s VAL 83 CO 0.59 0.17 0.30 -0.69 0.00 0.00 0.00 175.10 175.47 2ain s VAL 84 N -1.48 1.80 -1.17 2.92 1.01 0.19 -4.86 120.40 118.81 2ain s VAL 84 Ca 0.34 -3.01 -0.13 0.00 0.00 0.00 0.00 61.98 59.17 2ain s VAL 84 Cb -0.13 -2.24 0.19 0.00 0.00 0.00 0.00 36.38 34.20 2ain s VAL 84 CO 0.26 -0.93 1.35 -0.89 0.00 0.00 0.00 175.10 174.89 2ain s THR 85 N -0.11 5.23 -0.15 3.92 2.01 -1.25 -2.85 115.64 122.43 2ain s THR 85 Ca 0.20 -2.76 -0.06 0.00 0.31 0.00 0.00 61.69 59.38 2ain s THR 85 Cb -0.19 -4.84 -0.04 0.00 0.01 0.00 0.00 72.50 67.44 2ain s THR 85 CO -0.05 -1.52 0.06 -0.76 -0.69 0.00 0.00 174.62 171.66 2ain s LEU 86 N 1.03 3.85 -0.33 4.42 1.43 -1.05 0.37 118.68 128.40 2ain s LEU 86 Ca 0.40 0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 53.57 2ain s LEU 86 Cb -0.04 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2ain s LEU 86 CO -0.02 0.26 0.13 -0.70 0.23 0.00 0.00 176.35 176.25 2ain s GLU 87 N -0.16 2.90 0.06 1.70 2.12 -0.10 -1.51 118.70 123.70 2ain s GLU 87 Ca 0.07 -1.00 0.05 0.00 0.36 0.00 0.00 54.97 54.44 2ain s GLU 87 Cb -0.12 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 2ain s GLU 87 CO 0.01 -0.58 -0.05 0.08 -0.54 0.00 0.00 175.26 174.18 2ain s VAL 88 N 1.50 3.70 -0.14 3.70 1.01 -0.33 -1.65 120.40 128.18 2ain s VAL 88 Ca 0.01 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 2ain s VAL 88 Cb -0.18 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 2ain s VAL 88 CO 0.04 0.23 0.24 0.00 0.00 0.00 0.00 175.10 175.62 2ain s ALA 89 N -1.16 3.67 -0.85 5.51 0.00 0.05 -1.74 121.76 127.25 2ain s ALA 89 Ca 0.21 -0.51 -0.25 0.00 0.00 0.00 0.00 51.96 51.41 2ain s ALA 89 Cb -0.11 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 2ain s ALA 89 CO 0.13 0.24 1.97 0.15 0.00 0.00 0.00 175.76 178.25 2ain s LYS 90 N 0.02 2.50 0.21 0.00 3.01 0.53 -4.14 119.74 121.86 2ain s LYS 90 Ca 0.15 -0.11 -0.15 0.00 -1.01 0.00 0.00 55.97 54.85 2ain s LYS 90 Cb -0.13 -4.95 0.06 0.00 -1.01 0.00 0.00 37.83 31.79 2ain s LYS 90 CO 0.04 -3.37 0.75 0.00 0.51 0.00 0.00 175.35 173.28 2ain n GLN 91 N 8.90 0.66 0.00 1.68 10.64 -1.26 -4.35 117.38 133.64 2ain n GLN 91 Ca 0.38 -1.39 0.00 0.00 -1.83 0.00 0.00 57.00 54.16 2ain n GLN 91 Cb 0.47 1.81 0.00 0.00 -0.86 0.00 0.00 30.24 31.67 2ain n GLN 91 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2ain n GLY 92 N -0.52 4.63 0.76 2.61 0.00 -1.26 -4.54 105.19 106.86 2ain n GLY 92 Ca -0.04 -0.70 0.13 0.00 0.00 0.00 0.00 46.02 45.41 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32