#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 0.16 -0.01 2.12 2.47 -1.26 -5.11 119.74 118.11 2ain s LYS 2 Ca 0.00 0.36 -0.01 0.00 -1.56 0.00 0.00 55.97 54.76 2ain s LYS 2 Cb 0.00 0.21 0.01 0.00 -1.46 0.00 0.00 37.83 36.59 2ain s LYS 2 CO 0.00 -0.10 0.03 -1.91 0.16 0.00 0.00 175.35 173.53 2ain n GLU 3 N 5.01 -3.49 -0.39 4.03 0.00 -1.26 -5.03 120.64 119.51 2ain n GLU 3 Ca -0.08 2.70 -0.15 0.00 0.00 0.00 0.00 57.16 59.64 2ain n GLU 3 Cb 0.54 -3.45 0.13 0.00 0.00 0.00 0.00 31.44 28.66 2ain n GLU 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2ain n PRO 4 N 1.23 -2.48 -3.82 5.31 -0.04 -1.26 -5.04 135.00 128.89 2ain n PRO 4 Ca -0.05 -0.82 -0.30 0.00 -0.04 0.00 0.00 63.50 62.29 2ain n PRO 4 Cb 0.08 -0.85 -0.15 0.00 -0.04 0.00 0.00 33.50 32.54 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 -4.16 0.97 -0.12 0.54 2.12 -1.26 -5.06 118.70 111.72 2ain s GLU 5 Ca 0.34 -1.26 -0.07 0.00 0.36 0.00 0.00 54.97 54.35 2ain s GLU 5 Cb -0.04 -2.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 2ain s GLU 5 CO 0.27 -0.94 0.13 0.42 -0.54 0.00 0.00 175.26 174.60 2ain s ILE 6 N 1.42 5.42 -0.07 -3.70 1.01 -1.26 -0.78 121.20 123.24 2ain s ILE 6 Ca 0.09 0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.85 2ain s ILE 6 Cb -0.18 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 38.95 2ain s ILE 6 CO -0.19 0.60 0.18 0.27 0.00 0.00 0.00 174.94 175.81 2ain s ILE 7 N -0.90 -0.00 0.25 2.92 -4.36 0.18 -4.97 121.20 114.31 2ain s ILE 7 Ca 0.14 0.01 0.08 0.00 -0.26 0.00 0.00 60.65 60.63 2ain s ILE 7 Cb -0.12 -0.26 -0.04 0.00 1.25 0.00 0.00 42.46 43.29 2ain s ILE 7 CO 0.03 0.01 0.09 0.28 0.24 0.00 0.00 174.94 175.59 2ain s THR 8 N 0.19 3.95 -0.02 8.37 -1.32 -1.26 0.46 115.64 126.00 2ain s THR 8 Ca -0.01 -1.61 -0.01 0.00 -1.21 0.00 0.00 61.69 58.86 2ain s THR 8 Cb -0.02 -3.11 0.02 0.00 -1.51 0.00 0.00 72.50 67.89 2ain s THR 8 CO -0.00 -0.33 0.04 0.54 -2.21 0.00 0.00 174.62 172.66 2ain s VAL 9 N -2.16 -0.04 -0.72 5.08 0.11 -1.20 -4.92 120.40 116.55 2ain s VAL 9 Ca 0.32 0.16 -0.20 0.00 -2.93 0.00 0.00 61.98 59.32 2ain s VAL 9 Cb -0.07 -0.09 0.10 0.00 -1.53 0.00 0.00 36.38 34.79 2ain s VAL 9 CO 0.22 0.06 0.92 -0.89 -3.33 0.00 0.00 175.10 172.08 2ain s THR 10 N 0.80 4.63 0.40 5.04 2.01 -1.25 -3.09 115.64 124.19 2ain s THR 10 Ca -0.07 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.05 2ain s THR 10 Cb -0.09 -4.64 -0.04 0.00 0.01 0.00 0.00 72.50 67.74 2ain s THR 10 CO -0.03 -1.35 0.27 -0.76 -0.69 0.00 0.00 174.62 172.06 2ain s LEU 11 N 3.12 3.28 0.17 4.42 1.43 -0.49 -4.90 118.68 125.71 2ain s LEU 11 Ca 0.21 -0.87 0.08 0.00 -1.03 0.00 0.00 54.13 52.53 2ain s LEU 11 Cb -0.16 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2ain s LEU 11 CO 0.03 -0.55 -0.08 -0.75 0.23 0.00 0.00 176.35 175.23 2ain s LYS 12 N -4.00 2.13 -0.65 1.70 2.47 -1.26 -1.41 119.74 118.72 2ain s LYS 12 Ca 0.44 -1.20 -0.26 0.00 -1.56 0.00 0.00 55.97 53.38 2ain s LYS 12 Cb -0.00 -2.22 0.04 0.00 -1.46 0.00 0.00 37.83 34.19 2ain s LYS 12 CO 0.25 0.45 1.14 0.21 0.16 0.00 0.00 175.35 177.56 2ain s LYS 13 N -2.76 3.29 -1.10 4.03 2.20 -1.05 -4.67 119.74 119.67 2ain s LYS 13 Ca 0.25 -0.21 -0.08 0.00 -0.36 0.00 0.00 55.97 55.57 2ain s LYS 13 Cb -0.09 -4.12 0.28 0.00 -1.51 0.00 0.00 37.83 32.39 2ain s LYS 13 CO 0.16 -1.84 1.16 0.94 -0.36 0.00 0.00 175.35 175.41 2ain n GLN 14 N 8.47 3.65 -3.31 4.03 7.27 -1.26 -4.62 117.38 131.60 2ain n GLN 14 Ca 0.03 -4.48 -0.24 0.00 0.07 0.00 0.00 57.00 52.39 2ain n GLN 14 Cb 0.48 -2.54 0.04 0.00 2.41 0.00 0.00 30.24 30.63 2ain n GLN 14 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2ain n ASN 15 N 2.46 -5.74 0.00 1.69 3.02 -1.26 -4.73 115.26 110.69 2ain n ASN 15 Ca 0.24 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 2ain n ASN 15 Cb 0.38 -4.61 0.00 0.00 -0.61 0.00 0.00 39.78 34.94 2ain n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ain n GLY 16 N -1.62 2.53 0.05 7.41 0.00 -1.26 -4.96 105.19 107.33 2ain n GLY 16 Ca -0.05 -1.71 -0.02 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.11 -0.82 1.61 2.86 -1.94 -3.42 114.93 113.11 2ain h MET 17 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2ain h MET 17 Cb 0.00 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2ain h MET 17 CO 0.00 -0.08 0.00 0.41 1.06 0.00 0.00 176.91 178.30 2ain n GLY 18 N -0.22 0.51 3.82 8.32 0.00 -1.26 -3.77 105.19 112.59 2ain n GLY 18 Ca -0.01 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.54 -0.05 0.01 0.99 0.05 -1.26 0.46 118.68 118.33 2ain s LEU 19 Ca 0.00 -0.99 0.03 0.00 0.05 0.00 0.00 54.13 53.21 2ain s LEU 19 Cb 0.00 2.77 -0.01 0.00 -2.05 0.00 0.00 46.19 46.90 2ain s LEU 19 CO 0.00 -1.56 -0.08 -0.44 -0.55 0.00 0.00 176.35 173.72 2ain s SER 20 N -3.06 0.94 0.19 1.48 0.01 -0.43 -4.84 113.70 107.99 2ain s SER 20 Ca 0.15 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.21 2ain s SER 20 Cb -0.05 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 2ain s SER 20 CO 0.10 0.04 -0.04 0.27 0.41 0.00 0.00 173.24 174.02 2ain s ILE 21 N -0.43 1.03 -0.04 1.44 -0.00 -1.26 0.26 121.20 122.20 2ain s ILE 21 Ca 0.01 -2.03 -0.02 0.00 -0.00 0.00 0.00 60.65 58.60 2ain s ILE 21 Cb -0.04 -2.11 0.03 0.00 -0.00 0.00 0.00 42.46 40.34 2ain s ILE 21 CO -0.00 -0.52 0.09 -0.69 -0.00 0.00 0.00 174.94 173.83 2ain s VAL 22 N -3.42 -0.04 -0.30 8.37 1.01 0.25 -4.75 120.40 121.51 2ain s VAL 22 Ca 0.23 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.25 2ain s VAL 22 Cb 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 2ain s VAL 22 CO 0.05 0.07 0.24 0.00 0.00 0.00 0.00 175.10 175.45 2ain s ALA 23 N 0.94 3.53 -0.08 5.51 0.00 -1.26 -0.78 121.76 129.62 2ain s ALA 23 Ca -0.07 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 50.80 2ain s ALA 23 Cb -0.10 -2.58 -0.00 0.00 0.00 0.00 0.00 23.12 20.44 2ain s ALA 23 CO -0.04 -0.70 -0.24 0.00 0.00 0.00 0.00 175.76 174.78 2ain s ALA 24 N 1.81 2.12 0.53 0.00 0.00 -1.21 -4.93 121.76 120.07 2ain s ALA 24 Ca 0.08 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.09 2ain s ALA 24 Cb -0.16 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.26 2ain s ALA 24 CO 0.11 0.34 0.22 1.17 0.00 0.00 0.00 175.76 177.60 2ain n LYS 25 N 3.25 0.72 0.00 0.00 4.81 -1.26 -4.02 118.16 121.66 2ain n LYS 25 Ca -0.18 -3.57 0.00 0.00 -0.87 0.00 0.00 58.31 53.68 2ain n LYS 25 Cb 0.52 0.66 0.00 0.00 0.02 0.00 0.00 35.03 36.23 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 -1.39 2.28 3.76 3.14 0.00 -1.26 -5.14 105.19 106.58 2ain n GLY 26 Ca -0.11 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 3.50 -1.47 4.61 0.00 -1.26 -4.50 121.76 121.65 2ain s ALA 27 Ca 0.00 -1.15 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 2ain s ALA 27 Cb 0.00 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.81 2ain s ALA 27 CO 0.00 0.61 0.85 0.41 0.00 0.00 0.00 175.76 177.63 2ain n GLY 28 N 0.06 -0.53 2.70 0.00 0.00 -1.26 -4.97 105.19 101.19 2ain n GLY 28 Ca -0.09 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -6.06 0.56 -0.07 1.61 2.00 -1.26 -4.99 119.66 111.45 2ain s GLN 29 Ca 0.46 -0.49 0.10 0.00 -2.00 0.00 0.00 55.36 53.43 2ain s GLN 29 Cb -0.21 -1.98 0.40 0.00 0.80 0.00 0.00 33.01 32.02 2ain s GLN 29 CO 0.56 -0.73 1.23 -0.40 -0.50 0.00 0.00 175.29 175.46 2ain n ASP 30 N 5.06 2.87 -1.30 6.67 5.75 -1.26 -4.85 116.55 129.50 2ain n ASP 30 Ca -0.08 -2.26 -0.02 0.00 -0.01 0.00 0.00 54.79 52.42 2ain n ASP 30 Cb 0.46 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 40.11 2ain n ASP 30 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2ain n LYS 31 N 0.50 0.08 -3.78 0.11 4.01 -1.26 -4.77 118.16 113.06 2ain n LYS 31 Ca 0.14 -0.44 -0.13 0.00 -0.51 0.00 0.00 58.31 57.38 2ain n LYS 31 Cb 0.56 0.39 -0.13 0.00 -0.51 0.00 0.00 35.03 35.33 2ain n LYS 31 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ain s LEU 32 N 0.00 0.95 -0.18 -0.35 1.02 -1.26 -4.81 118.68 114.04 2ain s LEU 32 Ca 0.05 0.39 -0.14 0.00 0.02 0.00 0.00 54.13 54.45 2ain s LEU 32 Cb 0.00 0.60 -0.04 0.00 0.02 0.00 0.00 46.19 46.76 2ain s LEU 32 CO 0.03 -0.11 0.31 -0.83 0.02 0.00 0.00 176.35 175.78 2ain s GLY 33 N 0.62 2.14 -1.24 -3.19 0.00 -1.26 -4.02 107.32 100.38 2ain s GLY 33 Ca -0.04 -0.53 -0.14 0.00 0.00 0.00 0.00 44.72 44.01 2ain s GLY 33 CO -0.03 0.56 1.55 1.39 0.00 0.00 0.00 173.10 176.57 2ain n ILE 34 N 3.92 4.19 -1.42 0.90 2.08 -1.26 -3.31 119.36 124.46 2ain n ILE 34 Ca -0.11 -4.55 -0.32 0.00 0.56 0.00 0.00 62.75 58.33 2ain n ILE 34 Cb 0.52 -2.44 0.08 0.00 -0.75 0.00 0.00 39.64 37.05 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 1.94 2.51 -0.09 1.39 2.02 0.04 -2.98 117.35 122.19 2ain s TYR 35 Ca 0.45 1.57 -0.14 0.00 -0.37 0.00 0.00 57.07 58.58 2ain s TYR 35 Cb 0.00 -3.13 -0.05 0.00 -0.40 0.00 0.00 41.96 38.38 2ain s TYR 35 CO 0.01 -1.86 0.34 0.08 -1.57 0.00 0.00 175.55 172.55 2ain s VAL 36 N -2.63 5.22 -0.21 0.71 1.01 0.85 0.87 120.40 126.21 2ain s VAL 36 Ca 0.64 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 63.12 2ain s VAL 36 Cb -0.19 -3.65 -0.19 0.00 0.00 0.00 0.00 36.38 32.35 2ain s VAL 36 CO 0.50 0.49 0.09 1.17 0.00 0.00 0.00 175.10 177.34 2ain n LYS 37 N 2.70 0.61 -3.65 2.72 4.81 0.14 -0.27 118.16 125.22 2ain n LYS 37 Ca -0.13 0.43 0.01 0.00 -0.87 0.00 0.00 58.31 57.75 2ain n LYS 37 Cb 0.52 -1.67 -0.06 0.00 0.02 0.00 0.00 35.03 33.84 2ain n LYS 37 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2ain s SER 38 N -7.01 -0.13 0.03 3.14 0.15 -1.19 -4.49 113.70 104.19 2ain s SER 38 Ca -0.30 0.21 -0.28 0.00 0.70 0.00 0.00 55.95 56.28 2ain s SER 38 Cb 0.08 1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 65.36 2ain s SER 38 CO 0.60 -0.03 0.88 -0.69 1.20 0.00 0.00 173.24 175.20 2ain s VAL 39 N 1.03 4.77 0.20 4.45 1.01 -1.26 -1.32 120.40 129.28 2ain s VAL 39 Ca -0.07 1.87 -0.28 0.00 0.00 0.00 0.00 61.98 63.49 2ain s VAL 39 Cb -0.03 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 2ain s VAL 39 CO -0.11 0.26 0.87 -0.69 0.00 0.00 0.00 175.10 175.44 2ain s VAL 40 N 0.47 4.24 0.49 2.92 1.01 0.17 -4.93 120.40 124.78 2ain s VAL 40 Ca 0.45 1.92 -0.23 0.00 0.00 0.00 0.00 61.98 64.13 2ain s VAL 40 Cb -0.21 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.86 2ain s VAL 40 CO 0.26 0.49 1.34 -0.54 0.00 0.00 0.00 175.10 176.64 2ain s LYS 41 N -1.04 3.45 0.00 2.72 -0.14 -1.26 -2.92 119.74 120.55 2ain s LYS 41 Ca 0.39 2.19 0.00 0.00 -1.36 0.00 0.00 55.97 57.19 2ain s LYS 41 Cb -0.25 -2.43 0.00 0.00 -1.68 0.00 0.00 37.83 33.48 2ain s LYS 41 CO 0.29 -0.93 0.00 0.41 -0.76 0.00 0.00 175.35 174.37 2ain n GLY 42 N 0.64 3.13 3.76 -3.33 0.00 -1.26 -5.04 105.19 103.09 2ain n GLY 42 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.68 2.68 0.36 -0.02 0.00 -1.15 -4.82 107.32 101.69 2ain s GLY 43 Ca 0.00 0.92 0.08 0.00 0.00 0.00 0.00 44.72 45.72 2ain s GLY 43 CO 0.00 1.30 1.91 0.00 0.00 0.00 0.00 173.10 176.31 2ain h ALA 44 N 1.00 1.79 -0.85 3.20 0.00 -1.81 -0.53 119.26 122.06 2ain h ALA 44 Ca -0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2ain h ALA 44 Cb 1.28 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2ain h ALA 44 CO 0.56 0.03 0.49 0.00 0.00 0.00 0.00 179.25 180.32 2ain h ALA 45 N 1.60 1.08 -0.13 0.00 0.00 -1.90 -0.32 119.26 119.59 2ain h ALA 45 Ca 0.39 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 2ain h ALA 45 Cb 0.53 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.99 2ain h ALA 45 CO -0.16 0.56 -0.76 0.22 0.00 0.00 0.00 179.25 179.12 2ain h ASP 46 N 1.17 0.89 -0.42 0.00 3.58 -1.55 -2.31 116.42 117.78 2ain h ASP 46 Ca 0.30 -0.64 -0.05 0.00 0.42 0.00 0.00 57.03 57.06 2ain h ASP 46 Cb -0.01 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.75 2ain h ASP 46 CO -0.05 1.39 0.09 0.58 -2.88 0.00 0.00 179.24 178.38 2ain h VAL 47 N 0.46 1.22 -0.03 2.25 2.07 -0.89 -2.91 116.25 118.41 2ain h VAL 47 Ca -0.06 -0.81 -0.24 0.00 0.82 0.00 0.00 66.70 66.41 2ain h VAL 47 Cb 1.39 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2ain h VAL 47 CO 0.16 0.30 -0.94 -0.78 0.02 0.00 0.00 177.57 176.32 2ain h ASP 48 N 0.73 0.76 -3.93 0.57 3.58 -1.08 -3.49 116.42 113.55 2ain h ASP 48 Ca 0.16 -0.58 -0.06 0.00 0.42 0.00 0.00 57.03 56.97 2ain h ASP 48 Cb 0.31 -0.23 0.04 0.00 1.72 0.00 0.00 39.33 41.17 2ain h ASP 48 CO 0.00 1.38 -0.19 0.61 -2.88 0.00 0.00 179.24 178.16 2ain n GLY 49 N 0.93 -0.22 1.08 -0.78 0.00 -0.87 -5.02 105.19 100.31 2ain n GLY 49 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.80 0.00 -3.64 1.61 5.12 -1.25 -5.10 116.66 111.60 2ain n ARG 50 Ca -0.02 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.70 2ain n ARG 50 Cb 0.53 -0.45 -0.02 0.00 -1.16 0.00 0.00 32.46 31.35 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 -5.69 3.71 0.31 0.55 2.34 -1.26 -5.14 118.68 113.51 2ain s LEU 51 Ca 0.00 -0.41 0.04 0.00 0.06 0.00 0.00 54.13 53.82 2ain s LEU 51 Cb 0.00 -2.41 -0.02 0.00 -0.56 0.00 0.00 46.19 43.20 2ain s LEU 51 CO 0.00 -0.42 0.30 0.00 -1.06 0.00 0.00 176.35 175.17 2ain s ALA 52 N -2.27 1.52 0.28 1.48 0.00 -1.26 -4.92 121.76 116.58 2ain s ALA 52 Ca 0.43 -1.90 -0.29 0.00 0.00 0.00 0.00 51.96 50.20 2ain s ALA 52 Cb -0.07 1.40 -0.09 0.00 0.00 0.00 0.00 23.12 24.35 2ain s ALA 52 CO 0.28 -0.68 1.06 0.00 0.00 0.00 0.00 175.76 176.42 2ain s ALA 53 N -3.47 3.38 0.00 0.00 0.00 -1.26 -3.75 121.76 116.66 2ain s ALA 53 Ca 0.38 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2ain s ALA 53 Cb 0.02 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2ain s ALA 53 CO 0.24 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.34 2ain n GLY 54 N 1.22 0.84 3.67 0.00 0.00 0.62 -5.00 105.19 106.55 2ain n GLY 54 Ca -0.01 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.67 4.80 0.02 1.61 1.01 -1.25 -4.83 116.67 115.37 2ain s ASP 55 Ca 0.00 -0.40 -0.07 0.00 0.71 0.00 0.00 52.55 52.78 2ain s ASP 55 Cb 0.00 -1.03 -0.05 0.00 1.01 0.00 0.00 42.92 42.85 2ain s ASP 55 CO 0.00 0.08 0.30 -1.58 0.21 0.00 0.00 175.17 174.18 2ain s GLN 56 N -3.03 3.63 0.41 8.23 0.74 -1.11 -0.11 119.66 128.42 2ain s GLN 56 Ca 0.28 -0.01 0.08 0.00 0.05 0.00 0.00 55.36 55.76 2ain s GLN 56 Cb -0.09 -3.06 -0.01 0.00 1.10 0.00 0.00 33.01 30.95 2ain s GLN 56 CO 0.19 0.63 0.44 -0.51 -0.55 0.00 0.00 175.29 175.49 2ain s LEU 57 N -1.77 3.54 0.29 3.68 1.02 -1.16 0.48 118.68 124.77 2ain s LEU 57 Ca 0.29 -0.57 0.00 0.00 0.02 0.00 0.00 54.13 53.86 2ain s LEU 57 Cb -0.13 -2.33 0.00 0.00 0.02 0.00 0.00 46.19 43.75 2ain s LEU 57 CO 0.16 -0.65 0.00 0.18 0.02 0.00 0.00 176.35 176.06 2ain n LEU 58 N -1.64 -1.56 -4.20 1.79 4.77 -0.87 -4.47 117.00 110.81 2ain n LEU 58 Ca 0.04 0.54 -0.24 0.00 -0.03 0.00 0.00 56.01 56.32 2ain n LEU 58 Cb 0.60 1.60 -0.14 0.00 -2.33 0.00 0.00 43.42 43.15 2ain n LEU 58 CO 0.41 -0.35 -0.50 -0.55 -1.33 0.00 0.00 177.39 175.07 2ain s SER 59 N -3.70 2.17 -0.16 -1.43 0.15 -1.25 -2.98 113.70 106.50 2ain s SER 59 Ca 0.00 -0.47 -0.03 0.00 0.70 0.00 0.00 55.95 56.16 2ain s SER 59 Cb 0.00 -0.18 0.05 0.00 -1.71 0.00 0.00 66.02 64.18 2ain s SER 59 CO 0.00 0.13 0.03 -0.69 1.20 0.00 0.00 173.24 173.92 2ain s VAL 60 N -0.74 0.41 -1.42 4.45 1.01 -0.11 -0.02 120.40 123.98 2ain s VAL 60 Ca 0.06 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 2ain s VAL 60 Cb -0.08 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.45 2ain s VAL 60 CO 0.01 -0.12 1.05 -0.67 0.00 0.00 0.00 175.10 175.38 2ain n ASP 61 N 5.10 -6.16 0.00 3.32 2.03 -0.43 -1.09 116.55 119.32 2ain n ASP 61 Ca -0.08 -0.52 0.00 0.00 0.52 0.00 0.00 54.79 54.71 2ain n ASP 61 Cb 0.48 -4.87 0.00 0.00 -0.72 0.00 0.00 41.12 36.01 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 -1.88 0.67 3.88 0.27 0.00 -1.26 -4.88 105.19 102.00 2ain n GLY 62 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.18 3.51 -0.44 1.61 0.52 -0.25 -5.07 118.95 118.64 2ain s ARG 63 Ca 0.00 -0.12 -0.18 0.00 -0.52 0.00 0.00 55.73 54.91 2ain s ARG 63 Cb 0.00 -3.15 0.03 0.00 0.52 0.00 0.00 34.95 32.35 2ain s ARG 63 CO 0.00 0.72 0.49 -1.12 0.02 0.00 0.00 175.30 175.41 2ain s SER 64 N -1.38 6.21 -0.50 0.23 0.01 -1.26 -0.94 113.70 116.07 2ain s SER 64 Ca 0.21 -0.74 0.03 0.00 1.31 0.00 0.00 55.95 56.76 2ain s SER 64 Cb -0.13 -2.24 0.61 0.00 0.21 0.00 0.00 66.02 64.47 2ain s SER 64 CO 0.11 -0.66 1.94 0.18 0.41 0.00 0.00 173.24 175.21 2ain n LEU 65 N 5.74 6.92 -4.43 2.44 4.77 -1.16 -4.90 117.00 126.39 2ain n LEU 65 Ca -0.07 -3.78 -0.44 0.00 -0.03 0.00 0.00 56.01 51.69 2ain n LEU 65 Cb 0.47 -0.87 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 2ain n LEU 65 CO 0.48 1.16 0.65 -0.69 -1.33 0.00 0.00 177.39 177.66 2ain s VAL 66 N -3.67 4.47 0.00 4.08 1.01 -1.26 -3.85 120.40 121.18 2ain s VAL 66 Ca 0.59 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2ain s VAL 66 Cb 0.49 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2ain s VAL 66 CO 0.08 -1.36 0.00 0.61 0.00 0.00 0.00 175.10 174.43 2ain n GLY 67 N 5.31 1.77 3.32 4.51 0.00 -1.26 -4.82 105.19 114.02 2ain n GLY 67 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 2.48 0.53 0.99 1.43 -1.25 -4.83 118.68 118.02 2ain s LEU 68 Ca 0.00 -1.07 -0.17 0.00 -1.03 0.00 0.00 54.13 51.86 2ain s LEU 68 Cb 0.00 -0.47 -0.07 0.00 0.03 0.00 0.00 46.19 45.67 2ain s LEU 68 CO 0.00 -0.31 1.00 -0.94 0.23 0.00 0.00 176.35 176.33 2ain s SER 69 N -3.27 6.47 0.39 2.29 1.04 -1.26 -4.64 113.70 114.71 2ain s SER 69 Ca 0.22 1.63 0.14 0.00 0.48 0.00 0.00 55.95 58.42 2ain s SER 69 Cb 0.02 -2.52 0.97 0.00 0.10 0.00 0.00 66.02 64.60 2ain s SER 69 CO 0.05 -0.69 1.84 -0.61 0.98 0.00 0.00 173.24 174.82 2ain h GLN 70 N 0.88 0.51 -0.04 4.02 -0.00 -1.97 -0.88 115.11 117.63 2ain h GLN 70 Ca -0.47 -0.03 0.03 0.00 -0.00 0.00 0.00 58.65 58.18 2ain h GLN 70 Cb 1.19 -0.12 -0.04 0.00 0.00 0.00 0.00 27.48 28.51 2ain h GLN 70 CO 0.61 0.34 -0.21 0.93 0.00 0.00 0.00 178.83 180.50 2ain h GLU 71 N 0.53 -0.30 -0.70 1.69 4.39 -1.99 0.32 114.58 118.52 2ain h GLU 71 Ca 0.48 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.16 2ain h GLU 71 Cb 1.03 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.72 2ain h GLU 71 CO -0.22 -0.20 0.28 0.00 -1.16 0.00 0.00 179.01 177.71 2ain h ARG 72 N -0.31 1.04 0.99 2.33 2.47 -1.59 -1.47 114.38 117.84 2ain h ARG 72 Ca 0.07 -0.19 -0.05 0.00 -1.26 0.00 0.00 59.98 58.55 2ain h ARG 72 Cb 0.41 -0.17 0.01 0.00 -1.65 0.00 0.00 29.97 28.57 2ain h ARG 72 CO -0.22 0.86 -0.48 0.00 0.56 0.00 0.00 179.97 180.70 2ain h ALA 73 N 1.13 -1.33 -0.64 0.04 0.00 -0.61 0.19 119.26 118.04 2ain h ALA 73 Ca 0.23 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2ain h ALA 73 Cb 0.21 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2ain h ALA 73 CO -0.02 -1.24 0.43 0.00 0.00 0.00 0.00 179.25 178.42 2ain h ALA 74 N -1.34 2.01 -0.08 0.00 0.00 -0.39 0.50 119.26 119.96 2ain h ALA 74 Ca -0.14 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2ain h ALA 74 Cb 1.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2ain h ALA 74 CO 0.22 -0.16 -0.38 1.49 0.00 0.00 0.00 179.25 180.43 2ain h GLU 75 N 0.44 0.40 -0.13 0.00 4.57 -1.06 -2.17 114.58 116.63 2ain h GLU 75 Ca 0.30 -0.32 -0.09 0.00 -1.18 0.00 0.00 59.36 58.06 2ain h GLU 75 Cb 0.58 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2ain h GLU 75 CO -0.09 0.96 -0.33 -0.07 -1.18 0.00 0.00 179.01 178.30 2ain h LEU 76 N -0.06 0.26 -0.02 1.64 3.38 -0.01 -1.79 115.31 118.71 2ain h LEU 76 Ca -0.02 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2ain h LEU 76 Cb 1.02 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2ain h LEU 76 CO 0.08 0.58 -0.15 0.24 0.09 0.00 0.00 178.44 179.28 2ain h MET 77 N 0.22 0.14 -0.31 1.13 2.86 -0.96 -3.27 114.93 114.75 2ain h MET 77 Ca 0.03 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 2ain h MET 77 Cb 0.70 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 2ain h MET 77 CO 0.05 0.80 -0.02 0.00 1.06 0.00 0.00 176.91 178.80 2ain h THR 78 N -0.47 1.20 -0.36 2.22 1.03 -1.39 -3.07 112.91 112.07 2ain h THR 78 Ca -0.01 -0.80 -0.28 0.00 -0.01 0.00 0.00 66.41 65.31 2ain h THR 78 Cb 0.83 0.99 -0.10 0.00 -1.07 0.00 0.00 68.15 68.79 2ain h THR 78 CO 0.03 0.27 -0.09 0.54 -0.01 0.00 0.00 175.52 176.26 2ain n ARG 79 N -4.27 2.06 -1.98 0.00 1.74 -0.67 -4.90 116.66 108.64 2ain n ARG 79 Ca 0.01 -1.40 -0.13 0.00 -0.77 0.00 0.00 57.85 55.56 2ain n ARG 79 Cb 0.25 -1.97 0.06 0.00 -1.02 0.00 0.00 32.46 29.78 2ain n ARG 79 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2ain n THR 80 N 1.84 0.00 -2.67 0.55 -2.24 -1.16 -4.95 114.28 105.64 2ain n THR 80 Ca 0.42 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2ain n THR 80 Cb 0.76 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 2ain n THR 80 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2ain n SER 81 N -2.79 0.43 0.02 3.42 7.64 -1.26 -4.98 113.62 116.10 2ain n SER 81 Ca 0.10 -0.46 0.13 0.00 1.01 0.00 0.00 58.87 59.66 2ain n SER 81 Cb 0.36 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 64.15 2ain n SER 81 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2ain h SER 82 N 0.00 0.18 -3.42 6.43 4.64 -1.95 -3.41 113.55 116.02 2ain h SER 82 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 2ain h SER 82 Cb 0.00 -0.03 -0.13 0.00 -0.31 0.00 0.00 62.40 61.92 2ain h SER 82 CO 0.00 0.11 -0.68 -0.69 -0.87 0.00 0.00 176.83 174.70 2ain s VAL 83 N -5.20 3.90 -0.07 0.95 1.01 -1.26 -2.53 120.40 117.19 2ain s VAL 83 Ca -0.06 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 2ain s VAL 83 Cb 0.19 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.78 2ain s VAL 83 CO 0.73 0.20 0.20 0.54 0.00 0.00 0.00 175.10 176.76 2ain s VAL 84 N -1.22 -0.00 -0.40 2.92 0.11 -0.50 -4.93 120.40 116.37 2ain s VAL 84 Ca 0.23 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.32 2ain s VAL 84 Cb -0.11 -0.28 0.12 0.00 -1.53 0.00 0.00 36.38 34.57 2ain s VAL 84 CO 0.15 0.00 0.15 0.42 -3.33 0.00 0.00 175.10 172.50 2ain s THR 85 N 0.16 1.91 -0.54 5.04 -4.23 -1.25 -1.40 115.64 115.34 2ain s THR 85 Ca -0.01 -2.48 -0.21 0.00 -1.18 0.00 0.00 61.69 57.82 2ain s THR 85 Cb -0.02 -2.38 0.06 0.00 1.34 0.00 0.00 72.50 71.50 2ain s THR 85 CO -0.00 -0.73 0.78 -0.76 -0.54 0.00 0.00 174.62 173.37 2ain s LEU 86 N 0.60 4.62 -1.21 4.79 1.02 -1.18 -1.31 118.68 126.00 2ain s LEU 86 Ca 0.14 -0.75 -0.19 0.00 0.02 0.00 0.00 54.13 53.35 2ain s LEU 86 Cb -0.22 -2.57 0.07 0.00 0.02 0.00 0.00 46.19 43.48 2ain s LEU 86 CO -0.07 -1.09 1.64 -1.61 0.02 0.00 0.00 176.35 175.24 2ain s GLU 87 N 3.26 3.87 0.21 1.70 2.02 0.97 -3.24 118.70 127.49 2ain s GLU 87 Ca 0.21 -1.74 -0.22 0.00 0.02 0.00 0.00 54.97 53.24 2ain s GLU 87 Cb -0.17 -5.47 -0.08 0.00 0.10 0.00 0.00 34.13 28.51 2ain s GLU 87 CO 0.14 -2.23 0.77 0.54 0.02 0.00 0.00 175.26 174.50 2ain s VAL 88 N 4.41 4.45 -0.22 2.63 0.11 0.17 -2.05 120.40 129.90 2ain s VAL 88 Ca 0.51 1.50 -0.01 0.00 -2.93 0.00 0.00 61.98 61.05 2ain s VAL 88 Cb 0.03 -3.98 0.01 0.00 -1.53 0.00 0.00 36.38 30.91 2ain s VAL 88 CO 0.02 0.31 -0.10 0.00 -3.33 0.00 0.00 175.10 172.01 2ain s ALA 89 N -1.40 2.63 0.49 1.54 0.00 0.18 0.47 121.76 125.66 2ain s ALA 89 Ca 0.41 -1.31 -0.21 0.00 0.00 0.00 0.00 51.96 50.85 2ain s ALA 89 Cb -0.19 -1.55 -0.07 0.00 0.00 0.00 0.00 23.12 21.31 2ain s ALA 89 CO 0.23 -0.57 1.12 0.15 0.00 0.00 0.00 175.76 176.69 2ain s LYS 90 N 1.36 3.66 0.19 0.00 1.02 0.04 -2.73 119.74 123.28 2ain s LYS 90 Ca 0.03 1.62 -0.01 0.00 0.02 0.00 0.00 55.97 57.63 2ain s LYS 90 Cb -0.15 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 2ain s LYS 90 CO -0.07 -0.60 0.11 1.14 -0.92 0.00 0.00 175.35 175.02 2ain s GLN 91 N -2.98 1.18 0.00 1.68 -2.07 -1.26 -4.15 119.66 112.06 2ain s GLN 91 Ca 0.67 -1.61 0.25 0.00 -1.82 0.00 0.00 55.36 52.85 2ain s GLN 91 Cb -0.24 0.18 0.48 0.00 -1.09 0.00 0.00 33.01 32.34 2ain s GLN 91 CO 0.28 -0.35 1.39 0.41 -1.32 0.00 0.00 175.29 175.71 2ain n GLY 92 N -0.26 -0.24 0.00 2.60 0.00 -1.26 -5.12 105.19 100.90 2ain n GLY 92 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32