#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 2.12 -3.41 2.12 3.00 -1.26 -4.94 118.16 115.80 2ain n LYS 2 Ca 0.00 0.70 -0.44 0.00 -0.00 0.00 0.00 58.31 58.57 2ain n LYS 2 Cb 0.00 -2.91 -0.07 0.00 0.00 0.00 0.00 35.03 32.05 2ain n LYS 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2ain s GLU 3 N 5.27 2.87 0.27 1.64 2.12 -1.26 -5.08 118.70 124.53 2ain s GLU 3 Ca 0.97 -1.56 -0.05 0.00 0.36 0.00 0.00 54.97 54.69 2ain s GLU 3 Cb -0.53 -4.13 0.07 0.00 0.26 0.00 0.00 34.13 29.80 2ain s GLU 3 CO 0.43 -1.16 0.24 -0.35 -0.54 0.00 0.00 175.26 173.89 2ain n PRO 4 N 5.15 -1.47 -3.85 4.30 -0.04 -1.26 -5.05 135.00 132.77 2ain n PRO 4 Ca -0.12 -0.39 -0.30 0.00 -0.04 0.00 0.00 63.50 62.65 2ain n PRO 4 Cb 0.42 -0.36 -0.15 0.00 -0.04 0.00 0.00 33.50 33.36 2ain n PRO 4 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ain s GLU 5 N -3.55 1.12 -0.09 0.54 2.12 -1.23 -5.02 118.70 112.60 2ain s GLU 5 Ca 0.16 -1.11 -0.04 0.00 0.36 0.00 0.00 54.97 54.34 2ain s GLU 5 Cb -0.02 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.93 2ain s GLU 5 CO 0.12 -0.82 0.09 0.42 -0.54 0.00 0.00 175.26 174.53 2ain s ILE 6 N 1.45 5.01 0.01 -3.70 1.01 -1.26 -0.45 121.20 123.27 2ain s ILE 6 Ca 0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 60.65 60.55 2ain s ILE 6 Cb -0.18 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.11 2ain s ILE 6 CO -0.14 0.56 0.19 0.27 0.00 0.00 0.00 174.94 175.81 2ain s ILE 7 N -1.03 0.09 -0.06 2.92 -4.36 -0.39 -5.01 121.20 113.37 2ain s ILE 7 Ca 0.16 -0.74 0.03 0.00 -0.26 0.00 0.00 60.65 59.84 2ain s ILE 7 Cb -0.12 -0.65 -0.03 0.00 1.25 0.00 0.00 42.46 42.91 2ain s ILE 7 CO 0.06 -0.41 -0.12 -0.89 0.24 0.00 0.00 174.94 173.82 2ain s THR 8 N -1.83 3.28 -0.10 8.37 2.01 -1.26 -1.37 115.64 124.74 2ain s THR 8 Ca -0.11 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.28 2ain s THR 8 Cb -0.05 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 70.17 2ain s THR 8 CO -0.00 0.59 -0.19 0.68 -0.69 0.00 0.00 174.62 175.01 2ain s VAL 9 N -0.76 1.72 -0.32 3.82 -7.23 0.95 -4.98 120.40 113.61 2ain s VAL 9 Ca 0.12 -0.80 -0.07 0.00 -1.81 0.00 0.00 61.98 59.42 2ain s VAL 9 Cb -0.11 -1.53 0.02 0.00 0.56 0.00 0.00 36.38 35.33 2ain s VAL 9 CO 0.01 0.48 0.10 -0.89 -0.31 0.00 0.00 175.10 174.49 2ain s THR 10 N 0.66 3.92 0.10 5.32 2.01 -1.26 -1.86 115.64 124.52 2ain s THR 10 Ca -0.13 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 60.97 2ain s THR 10 Cb -0.16 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2ain s THR 10 CO 0.03 -0.05 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.15 2ain s LEU 11 N 1.46 2.21 0.58 4.42 1.43 -0.50 -4.95 118.68 123.33 2ain s LEU 11 Ca 0.01 -1.09 0.07 0.00 -1.03 0.00 0.00 54.13 52.09 2ain s LEU 11 Cb -0.18 0.17 0.08 0.00 0.03 0.00 0.00 46.19 46.29 2ain s LEU 11 CO 0.03 -0.62 0.80 -0.54 0.23 0.00 0.00 176.35 176.24 2ain s LYS 12 N -3.95 2.28 0.09 1.70 3.01 -1.26 0.73 119.74 122.33 2ain s LYS 12 Ca 0.15 -1.43 0.04 0.00 -1.01 0.00 0.00 55.97 53.72 2ain s LYS 12 Cb 0.07 -2.60 -0.04 0.00 -1.01 0.00 0.00 37.83 34.26 2ain s LYS 12 CO -0.04 -0.87 0.06 0.15 0.51 0.00 0.00 175.35 175.16 2ain s LYS 13 N -4.71 2.78 0.19 1.68 1.02 -1.09 -4.69 119.74 114.92 2ain s LYS 13 Ca 0.61 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.85 2ain s LYS 13 Cb -0.07 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 2ain s LYS 13 CO 0.39 0.55 0.00 0.00 -0.92 0.00 0.00 175.35 175.37 2ain n GLN 14 N 0.42 0.00 -2.18 1.68 0.00 -1.26 -4.95 117.38 111.10 2ain n GLN 14 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.91 2ain n GLN 14 Cb 0.52 -0.20 0.04 0.00 0.00 0.00 0.00 30.24 30.60 2ain n GLN 14 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2ain n ASN 15 N -3.39 1.54 0.00 2.61 4.13 -1.26 -5.12 115.26 113.77 2ain n ASN 15 Ca 0.00 -2.19 0.00 0.00 1.68 0.00 0.00 54.58 54.07 2ain n ASN 15 Cb 0.03 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 37.86 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 -0.20 0.13 0.08 7.41 0.00 -1.26 -4.81 105.19 106.53 2ain n GLY 16 Ca 0.09 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 0.13 -5.25 1.61 2.86 -1.97 -3.33 114.93 108.98 2ain h MET 17 Ca 0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2ain h MET 17 Cb 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2ain h MET 17 CO 0.00 0.31 -0.63 0.41 1.06 0.00 0.00 176.91 178.06 2ain n GLY 18 N -0.52 -2.06 3.81 8.32 0.00 -1.26 -4.01 105.19 109.47 2ain n GLY 18 Ca -0.06 1.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.94 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 -2.36 0.03 0.03 0.99 0.05 -1.26 0.80 118.68 116.95 2ain s LEU 19 Ca 0.19 -1.15 0.05 0.00 0.05 0.00 0.00 54.13 53.27 2ain s LEU 19 Cb -0.05 2.79 -0.02 0.00 -2.05 0.00 0.00 46.19 46.86 2ain s LEU 19 CO 0.77 -1.66 -0.15 -0.44 -0.55 0.00 0.00 176.35 174.33 2ain s SER 20 N -3.12 1.73 0.01 1.48 0.01 0.19 -4.85 113.70 109.16 2ain s SER 20 Ca 0.16 -0.43 -0.01 0.00 1.31 0.00 0.00 55.95 56.98 2ain s SER 20 Cb -0.05 -0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 2ain s SER 20 CO 0.11 0.07 0.00 0.27 0.41 0.00 0.00 173.24 174.10 2ain s ILE 21 N -0.77 0.07 -0.02 1.44 -5.25 -1.26 -0.07 121.20 115.34 2ain s ILE 21 Ca 0.03 -0.54 0.02 0.00 -0.99 0.00 0.00 60.65 59.17 2ain s ILE 21 Cb -0.08 -0.19 0.00 0.00 2.95 0.00 0.00 42.46 45.15 2ain s ILE 21 CO 0.01 -0.30 -0.09 -0.69 -1.79 0.00 0.00 174.94 172.08 2ain s VAL 22 N -0.89 0.74 0.59 8.37 1.01 0.67 -4.77 120.40 126.12 2ain s VAL 22 Ca -0.10 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 2ain s VAL 22 Cb -0.06 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 2ain s VAL 22 CO -0.00 0.23 1.00 0.00 0.00 0.00 0.00 175.10 176.33 2ain s ALA 23 N 0.08 3.11 -0.23 5.51 0.00 -1.26 -1.29 121.76 127.68 2ain s ALA 23 Ca -0.01 -0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.63 2ain s ALA 23 Cb -0.07 -3.05 0.07 0.00 0.00 0.00 0.00 23.12 20.06 2ain s ALA 23 CO 0.00 -0.57 0.70 0.00 0.00 0.00 0.00 175.76 175.88 2ain s ALA 24 N -3.04 -1.73 0.45 0.00 0.00 -1.20 -4.93 121.76 111.31 2ain s ALA 24 Ca 0.55 1.87 0.02 0.00 0.00 0.00 0.00 51.96 54.41 2ain s ALA 24 Cb -0.11 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 2ain s ALA 24 CO 0.49 -0.34 0.09 1.17 0.00 0.00 0.00 175.76 177.17 2ain n LYS 25 N 2.43 0.65 0.00 0.00 4.81 -1.26 -3.62 118.16 121.17 2ain n LYS 25 Ca -0.15 -3.60 0.00 0.00 -0.87 0.00 0.00 58.31 53.69 2ain n LYS 25 Cb 0.55 1.54 0.00 0.00 0.02 0.00 0.00 35.03 37.14 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 -0.96 3.85 3.70 3.14 0.00 -1.26 -5.12 105.19 108.54 2ain n GLY 26 Ca -0.12 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.08 3.37 -1.37 4.61 0.00 -1.26 -4.43 121.76 121.60 2ain s ALA 27 Ca 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 2ain s ALA 27 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.55 2ain s ALA 27 CO 0.00 0.56 0.57 0.41 0.00 0.00 0.00 175.76 177.31 2ain n GLY 28 N 2.22 -0.38 2.90 0.00 0.00 -1.26 -4.98 105.19 103.68 2ain n GLY 28 Ca -0.19 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -5.60 1.27 -0.25 1.61 2.00 -1.26 -4.98 119.66 112.45 2ain s GLN 29 Ca 0.28 -1.28 0.03 0.00 -2.00 0.00 0.00 55.36 52.40 2ain s GLN 29 Cb -0.12 -2.58 0.42 0.00 0.80 0.00 0.00 33.01 31.53 2ain s GLN 29 CO 0.35 -0.83 1.51 -3.47 -0.50 0.00 0.00 175.29 172.36 2ain n ASP 30 N 4.60 3.53 -1.21 6.67 2.03 -1.26 -4.77 116.55 126.14 2ain n ASP 30 Ca -0.04 -2.92 -0.00 0.00 0.52 0.00 0.00 54.79 52.35 2ain n ASP 30 Cb 0.43 -0.69 -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 -0.36 0.35 -3.67 -0.67 4.76 -1.26 -4.84 118.16 112.46 2ain n LYS 31 Ca 0.33 -0.06 -0.09 0.00 -2.87 0.00 0.00 58.31 55.62 2ain n LYS 31 Cb 1.16 0.04 -0.10 0.00 -1.84 0.00 0.00 35.03 34.29 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 -0.41 0.21 -0.35 2.96 -1.26 -4.79 118.68 115.04 2ain s LEU 32 Ca 0.01 0.95 -0.08 0.00 -0.22 0.00 0.00 54.13 54.79 2ain s LEU 32 Cb 0.00 1.36 -0.07 0.00 0.50 0.00 0.00 46.19 47.98 2ain s LEU 32 CO 0.00 -0.22 0.50 -0.83 -1.32 0.00 0.00 176.35 174.49 2ain s GLY 33 N 2.07 2.22 -0.98 7.98 0.00 -1.24 -3.30 107.32 114.08 2ain s GLY 33 Ca -0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 44.72 44.23 2ain s GLY 33 CO -0.13 -0.26 0.92 -0.42 0.00 0.00 0.00 173.10 173.22 2ain s ILE 34 N -1.80 5.21 0.89 0.90 -1.09 -1.26 -3.27 121.20 120.78 2ain s ILE 34 Ca 0.45 -3.52 -0.12 0.00 -2.23 0.00 0.00 60.65 55.24 2ain s ILE 34 Cb -0.11 -4.18 0.13 0.00 -1.58 0.00 0.00 42.46 36.72 2ain s ILE 34 CO 0.23 -1.12 1.10 -0.31 -1.23 0.00 0.00 174.94 173.61 2ain s TYR 35 N -1.15 2.42 -0.18 3.97 1.51 -0.41 -3.01 117.35 120.51 2ain s TYR 35 Ca 0.28 1.14 -0.06 0.00 -1.01 0.00 0.00 57.07 57.42 2ain s TYR 35 Cb -0.09 -3.20 -0.03 0.00 -0.11 0.00 0.00 41.96 38.53 2ain s TYR 35 CO -0.10 -2.34 0.02 0.08 -1.11 0.00 0.00 175.55 172.10 2ain s VAL 36 N -3.03 4.33 -0.16 0.71 1.01 -0.69 -0.24 120.40 122.34 2ain s VAL 36 Ca 0.63 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 2ain s VAL 36 Cb -0.17 -2.93 -0.23 0.00 0.00 0.00 0.00 36.38 33.04 2ain s VAL 36 CO 0.56 0.46 0.26 1.17 0.00 0.00 0.00 175.10 177.55 2ain n LYS 37 N 3.66 0.70 -3.83 2.72 4.81 0.89 0.58 118.16 127.69 2ain n LYS 37 Ca -0.17 0.32 -0.07 0.00 -0.87 0.00 0.00 58.31 57.53 2ain n LYS 37 Cb 0.52 -1.69 -0.01 0.00 0.02 0.00 0.00 35.03 33.87 2ain n LYS 37 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2ain s SER 38 N -6.98 -0.16 -0.06 3.14 0.01 -1.16 -4.64 113.70 103.84 2ain s SER 38 Ca -0.25 -0.73 -0.01 0.00 1.31 0.00 0.00 55.95 56.26 2ain s SER 38 Cb 0.07 0.72 0.03 0.00 0.21 0.00 0.00 66.02 67.05 2ain s SER 38 CO 0.71 -1.37 0.00 -0.69 0.41 0.00 0.00 173.24 172.30 2ain s VAL 39 N -3.31 0.33 -0.02 3.43 1.01 -1.26 0.57 120.40 121.14 2ain s VAL 39 Ca 0.13 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 2ain s VAL 39 Cb -0.05 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 2ain s VAL 39 CO 0.07 0.24 1.34 -0.69 0.00 0.00 0.00 175.10 176.07 2ain s VAL 40 N 1.79 3.88 0.05 2.92 1.01 0.24 -4.93 120.40 125.36 2ain s VAL 40 Ca 0.02 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.93 2ain s VAL 40 Cb -0.13 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 2ain s VAL 40 CO -0.04 -0.01 1.66 -0.54 0.00 0.00 0.00 175.10 176.17 2ain s LYS 41 N 2.40 4.19 0.00 2.72 3.01 -1.26 -2.97 119.74 127.83 2ain s LYS 41 Ca 0.61 2.31 0.00 0.00 -1.01 0.00 0.00 55.97 57.89 2ain s LYS 41 Cb -0.29 -3.68 0.00 0.00 -1.01 0.00 0.00 37.83 32.85 2ain s LYS 41 CO 0.25 -0.76 0.00 0.41 0.51 0.00 0.00 175.35 175.76 2ain n GLY 42 N 4.03 1.26 3.76 -3.33 0.00 -1.26 -5.09 105.19 104.55 2ain n GLY 42 Ca 0.16 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.54 1.95 0.38 -0.02 0.00 -1.16 -4.72 107.32 103.21 2ain s GLY 43 Ca 0.00 0.46 0.17 0.00 0.00 0.00 0.00 44.72 45.35 2ain s GLY 43 CO 0.00 0.82 1.76 0.00 0.00 0.00 0.00 173.10 175.68 2ain h ALA 44 N -0.57 2.14 -0.03 3.20 0.00 -1.75 -0.21 119.26 122.05 2ain h ALA 44 Ca -0.45 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2ain h ALA 44 Cb 1.25 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ain h ALA 44 CO 0.52 -0.56 0.01 0.00 0.00 0.00 0.00 179.25 179.22 2ain h ALA 45 N 1.64 0.03 -0.64 0.00 0.00 -1.89 -2.06 119.26 116.34 2ain h ALA 45 Ca 0.61 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.35 2ain h ALA 45 Cb 1.45 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2ain h ALA 45 CO -0.33 -0.37 0.16 0.22 0.00 0.00 0.00 179.25 178.93 2ain h ASP 46 N -0.15 0.97 -0.24 0.00 1.82 -1.46 -2.66 116.42 114.70 2ain h ASP 46 Ca 0.01 -0.23 -0.01 0.00 -0.39 0.00 0.00 57.03 56.41 2ain h ASP 46 Cb 0.20 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 2ain h ASP 46 CO -0.00 0.94 0.13 0.58 -1.61 0.00 0.00 179.24 179.28 2ain h VAL 47 N 0.94 1.10 0.35 2.25 2.07 -1.03 -3.04 116.25 118.90 2ain h VAL 47 Ca 0.20 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2ain h VAL 47 Cb 0.35 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2ain h VAL 47 CO 0.00 0.12 -0.17 -0.78 0.02 0.00 0.00 177.57 176.76 2ain h ASP 48 N 0.39 -0.40 -1.13 0.57 3.58 -1.03 -3.49 116.42 114.90 2ain h ASP 48 Ca 0.10 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2ain h ASP 48 Cb 0.05 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2ain h ASP 48 CO -0.01 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.96 2ain n GLY 49 N -0.14 0.53 1.42 -0.78 0.00 -1.08 -5.05 105.19 100.09 2ain n GLY 49 Ca -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.57 0.00 -1.28 1.61 5.12 -1.26 -5.10 116.66 115.18 2ain n ARG 50 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 2ain n ARG 50 Cb 0.26 -0.09 0.10 0.00 -1.16 0.00 0.00 32.46 31.58 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 -5.60 2.81 0.00 0.55 0.05 -1.26 -5.07 118.68 110.15 2ain s LEU 51 Ca 0.00 1.69 0.02 0.00 0.05 0.00 0.00 54.13 55.89 2ain s LEU 51 Cb 0.00 -4.33 -0.01 0.00 -2.05 0.00 0.00 46.19 39.81 2ain s LEU 51 CO 0.00 -2.15 0.19 0.00 -0.55 0.00 0.00 176.35 173.83 2ain n ALA 52 N -3.59 0.12 -2.64 1.48 0.00 -1.26 -4.97 120.51 109.64 2ain n ALA 52 Ca 0.08 -0.90 -0.41 0.00 0.00 0.00 0.00 53.44 52.21 2ain n ALA 52 Cb 0.54 0.73 -0.05 0.00 0.00 0.00 0.00 19.45 20.66 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 -2.45 3.61 0.00 0.00 0.00 -1.26 -4.11 121.76 117.55 2ain s ALA 53 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2ain s ALA 53 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2ain s ALA 53 CO 0.12 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.49 2ain n GLY 54 N 3.85 1.87 3.39 0.00 0.00 0.20 -4.96 105.19 109.54 2ain n GLY 54 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 3.59 0.31 1.61 1.01 -1.26 -4.78 116.67 115.14 2ain s ASP 55 Ca 0.00 -0.33 -0.23 0.00 0.71 0.00 0.00 52.55 52.70 2ain s ASP 55 Cb 0.00 -0.69 -0.09 0.00 1.01 0.00 0.00 42.92 43.14 2ain s ASP 55 CO 0.00 0.32 0.87 -1.58 0.21 0.00 0.00 175.17 174.99 2ain s GLN 56 N -0.60 4.42 0.45 8.23 0.74 -1.14 -1.70 119.66 130.07 2ain s GLN 56 Ca 0.09 1.14 0.05 0.00 0.05 0.00 0.00 55.36 56.69 2ain s GLN 56 Cb -0.11 -2.73 0.01 0.00 1.10 0.00 0.00 33.01 31.28 2ain s GLN 56 CO 0.00 0.27 0.62 -0.51 -0.55 0.00 0.00 175.29 175.13 2ain s LEU 57 N -2.21 3.59 0.34 3.68 1.43 -1.16 0.40 118.68 124.76 2ain s LEU 57 Ca 0.50 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 2ain s LEU 57 Cb -0.17 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.29 2ain s LEU 57 CO 0.21 -0.82 0.00 0.18 0.23 0.00 0.00 176.35 176.15 2ain n LEU 58 N -1.98 -1.76 -4.23 1.79 4.77 -0.63 -4.54 117.00 110.43 2ain n LEU 58 Ca 0.06 0.63 -0.20 0.00 -0.03 0.00 0.00 56.01 56.47 2ain n LEU 58 Cb 0.59 1.78 -0.12 0.00 -2.33 0.00 0.00 43.42 43.34 2ain n LEU 58 CO 0.42 -0.35 -0.48 -0.94 -1.33 0.00 0.00 177.39 174.71 2ain s SER 59 N -3.77 2.06 -0.32 -1.43 1.04 -1.24 -2.53 113.70 107.50 2ain s SER 59 Ca 0.00 -0.67 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 2ain s SER 59 Cb 0.00 -0.09 0.12 0.00 0.10 0.00 0.00 66.02 66.16 2ain s SER 59 CO 0.00 -0.03 0.20 -0.69 0.98 0.00 0.00 173.24 173.70 2ain s VAL 60 N -1.34 -0.09 -1.46 5.02 1.01 -0.21 -1.20 120.40 122.12 2ain s VAL 60 Ca 0.03 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 2ain s VAL 60 Cb -0.09 -0.99 0.06 0.00 0.00 0.00 0.00 36.38 35.36 2ain s VAL 60 CO 0.03 -0.75 0.97 0.47 0.00 0.00 0.00 175.10 175.82 2ain n ASP 61 N 4.82 -4.36 0.00 3.32 9.92 0.78 -1.64 116.55 129.38 2ain n ASP 61 Ca 0.02 -0.75 0.00 0.00 -0.53 0.00 0.00 54.79 53.53 2ain n ASP 61 Cb 0.42 -4.10 0.00 0.00 -0.64 0.00 0.00 41.12 36.80 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 -1.71 0.52 3.20 0.44 0.00 -1.26 -5.02 105.19 101.36 2ain n GLY 62 Ca -0.03 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.87 2.95 -0.43 1.61 1.81 -0.65 -5.10 118.95 116.27 2ain s ARG 63 Ca 0.00 -0.84 -0.22 0.00 -1.72 0.00 0.00 55.73 52.94 2ain s ARG 63 Cb 0.00 -2.24 0.02 0.00 -0.45 0.00 0.00 34.95 32.28 2ain s ARG 63 CO 0.00 0.16 0.74 -1.12 -0.68 0.00 0.00 175.30 174.40 2ain s SER 64 N 0.38 6.42 -0.38 0.23 0.01 -1.26 -1.04 113.70 118.06 2ain s SER 64 Ca -0.18 -0.06 0.07 0.00 1.31 0.00 0.00 55.95 57.09 2ain s SER 64 Cb -0.18 -2.37 0.71 0.00 0.21 0.00 0.00 66.02 64.40 2ain s SER 64 CO 0.08 -0.83 1.86 0.18 0.41 0.00 0.00 173.24 174.94 2ain n LEU 65 N 6.52 6.39 -3.92 2.44 4.77 -1.05 -4.65 117.00 127.49 2ain n LEU 65 Ca 0.01 -3.37 -0.38 0.00 -0.03 0.00 0.00 56.01 52.25 2ain n LEU 65 Cb 0.48 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2ain n LEU 65 CO 0.56 0.91 0.66 0.55 -1.33 0.00 0.00 177.39 178.74 2ain n VAL 66 N -0.57 4.00 0.00 4.08 3.14 -1.26 -4.36 118.33 123.36 2ain n VAL 66 Ca 0.49 -5.52 0.00 0.00 -2.96 0.00 0.00 64.34 56.35 2ain n VAL 66 Cb 1.52 -2.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 2ain n VAL 66 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ain n GLY 67 N 1.57 0.74 3.87 7.55 0.00 -1.21 -4.54 105.19 113.16 2ain n GLY 67 Ca 0.26 0.00 -0.31 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 3.35 0.43 0.99 1.43 -1.26 -4.59 118.68 119.03 2ain s LEU 68 Ca 0.00 1.35 -0.23 0.00 -1.03 0.00 0.00 54.13 54.22 2ain s LEU 68 Cb 0.00 -4.37 -0.09 0.00 0.03 0.00 0.00 46.19 41.76 2ain s LEU 68 CO 0.00 -0.78 1.06 -0.44 0.23 0.00 0.00 176.35 176.41 2ain s SER 69 N -4.02 6.59 0.34 2.29 0.01 -1.26 -4.66 113.70 113.00 2ain s SER 69 Ca 0.54 2.03 0.14 0.00 1.31 0.00 0.00 55.95 59.97 2ain s SER 69 Cb -0.11 -2.58 1.11 0.00 0.21 0.00 0.00 66.02 64.66 2ain s SER 69 CO 0.49 -0.61 1.62 -0.61 0.41 0.00 0.00 173.24 174.55 2ain h GLN 70 N 2.19 0.14 0.10 12.44 5.75 -1.95 0.23 115.11 134.02 2ain h GLN 70 Ca -0.49 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.03 2ain h GLN 70 Cb 1.22 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.69 2ain h GLN 70 CO 0.61 0.09 -0.39 0.93 -2.65 0.00 0.00 178.83 177.42 2ain h GLU 71 N 0.15 -0.59 -0.90 1.69 5.08 -1.99 0.69 114.58 118.70 2ain h GLU 71 Ca 0.74 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 59.15 2ain h GLU 71 Cb 1.79 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 31.13 2ain h GLU 71 CO -0.71 -0.39 0.57 0.00 -1.00 0.00 0.00 179.01 177.47 2ain h ARG 72 N -0.61 1.20 0.82 2.33 2.47 -1.35 0.17 114.38 119.40 2ain h ARG 72 Ca 0.03 -0.09 -0.04 0.00 -1.26 0.00 0.00 59.98 58.62 2ain h ARG 72 Cb 0.65 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2ain h ARG 72 CO -0.24 0.82 -0.45 0.00 0.56 0.00 0.00 179.97 180.66 2ain h ALA 73 N 1.31 -1.29 -0.54 0.04 0.00 -0.78 0.55 119.26 118.56 2ain h ALA 73 Ca 0.33 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2ain h ALA 73 Cb -0.10 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2ain h ALA 73 CO -0.07 -1.22 0.15 0.00 0.00 0.00 0.00 179.25 178.11 2ain h ALA 74 N -1.31 1.24 -0.25 0.00 0.00 -0.84 -1.11 119.26 117.00 2ain h ALA 74 Ca -0.11 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 2ain h ALA 74 Cb 0.92 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2ain h ALA 74 CO 0.14 0.53 -0.37 1.49 0.00 0.00 0.00 179.25 181.04 2ain h GLU 75 N 0.79 0.57 -0.09 0.00 4.81 -0.55 -2.53 114.58 117.58 2ain h GLU 75 Ca 0.18 -0.27 -0.13 0.00 -0.13 0.00 0.00 59.36 59.00 2ain h GLU 75 Cb 0.27 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.65 2ain h GLU 75 CO -0.00 0.85 -0.46 -0.07 -0.73 0.00 0.00 179.01 178.60 2ain h LEU 76 N 0.48 0.56 -0.20 1.64 3.38 0.46 -2.56 115.31 119.06 2ain h LEU 76 Ca 0.05 -0.65 0.01 0.00 0.09 0.00 0.00 57.88 57.38 2ain h LEU 76 Cb 0.86 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2ain h LEU 76 CO 0.07 1.11 0.12 0.24 0.09 0.00 0.00 178.44 180.07 2ain h MET 77 N 0.04 0.24 -0.25 1.13 2.86 -1.21 -2.36 114.93 115.37 2ain h MET 77 Ca -0.03 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 2ain h MET 77 Cb 1.10 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 2ain h MET 77 CO 0.09 0.16 -0.08 0.00 1.06 0.00 0.00 176.91 178.14 2ain h THR 78 N 0.25 1.20 -0.57 2.22 1.03 -1.54 -3.10 112.91 112.39 2ain h THR 78 Ca 0.08 -0.84 -0.36 0.00 -0.01 0.00 0.00 66.41 65.27 2ain h THR 78 Cb -0.00 1.10 -0.13 0.00 -1.07 0.00 0.00 68.15 68.05 2ain h THR 78 CO -0.04 0.27 0.09 0.54 -0.01 0.00 0.00 175.52 176.37 2ain n ARG 79 N -4.26 2.25 -3.33 0.00 5.12 -0.89 -4.92 116.66 110.64 2ain n ARG 79 Ca 0.00 -1.74 -0.20 0.00 -1.93 0.00 0.00 57.85 53.98 2ain n ARG 79 Cb 0.27 -2.09 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 2ain n ARG 79 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2ain s THR 80 N -0.72 2.54 0.00 0.55 -4.23 -1.17 -4.94 115.64 107.67 2ain s THR 80 Ca 0.63 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 2ain s THR 80 Cb 0.35 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 71.46 2ain s THR 80 CO -0.12 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 173.72 2ain n SER 81 N -1.80 -0.03 -0.34 3.99 2.88 -1.26 -4.93 113.62 112.12 2ain n SER 81 Ca 0.07 -0.98 0.08 0.00 -1.33 0.00 0.00 58.87 56.71 2ain n SER 81 Cb 0.61 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.32 2ain n SER 81 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2ain h SER 82 N -0.03 0.81 -2.89 -3.46 4.64 -1.99 -3.41 113.55 107.23 2ain h SER 82 Ca 0.00 0.07 -0.63 0.00 -0.47 0.00 0.00 61.79 60.76 2ain h SER 82 Cb 0.00 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 61.95 2ain h SER 82 CO 0.00 0.39 -0.38 -0.69 -0.87 0.00 0.00 176.83 175.28 2ain s VAL 83 N -5.94 5.30 0.12 0.95 1.01 -1.26 -2.69 120.40 117.88 2ain s VAL 83 Ca -0.12 0.24 0.11 0.00 0.00 0.00 0.00 61.98 62.21 2ain s VAL 83 Cb 0.23 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2ain s VAL 83 CO 0.80 0.41 -0.26 -0.69 0.00 0.00 0.00 175.10 175.36 2ain s VAL 84 N -1.25 2.28 -0.39 2.92 1.01 0.22 -4.98 120.40 120.21 2ain s VAL 84 Ca 0.26 -1.69 0.03 0.00 0.00 0.00 0.00 61.98 60.58 2ain s VAL 84 Cb -0.13 -2.00 0.16 0.00 0.00 0.00 0.00 36.38 34.41 2ain s VAL 84 CO 0.14 0.13 0.34 -0.89 0.00 0.00 0.00 175.10 174.83 2ain s THR 85 N -1.03 0.00 -0.08 3.92 2.01 -1.25 -1.41 115.64 117.80 2ain s THR 85 Ca 0.14 -1.82 -0.09 0.00 0.31 0.00 0.00 61.69 60.23 2ain s THR 85 Cb -0.10 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 2ain s THR 85 CO 0.06 -0.91 0.21 -0.76 -0.69 0.00 0.00 174.62 172.53 2ain s LEU 86 N 0.77 4.41 -0.25 4.42 1.43 -0.78 -0.15 118.68 128.52 2ain s LEU 86 Ca 0.24 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 2ain s LEU 86 Cb -0.09 -2.24 0.06 0.00 0.03 0.00 0.00 46.19 43.94 2ain s LEU 86 CO -0.08 0.38 -0.09 -0.70 0.23 0.00 0.00 176.35 176.08 2ain s GLU 87 N -1.11 2.05 0.40 1.70 2.12 -0.34 -0.03 118.70 123.48 2ain s GLU 87 Ca 0.18 -1.23 0.08 0.00 0.36 0.00 0.00 54.97 54.35 2ain s GLU 87 Cb -0.13 -2.79 -0.02 0.00 0.26 0.00 0.00 34.13 31.44 2ain s GLU 87 CO 0.07 -0.58 0.36 0.14 -0.54 0.00 0.00 175.26 174.72 2ain s VAL 88 N 1.19 2.79 -0.03 3.70 -7.23 -0.47 -1.60 120.40 118.76 2ain s VAL 88 Ca -0.08 -1.35 0.05 0.00 -1.81 0.00 0.00 61.98 58.79 2ain s VAL 88 Cb -0.20 -3.03 -0.01 0.00 0.56 0.00 0.00 36.38 33.71 2ain s VAL 88 CO -0.05 -0.03 -0.17 0.00 -0.31 0.00 0.00 175.10 174.53 2ain s ALA 89 N -2.45 1.50 -0.25 1.32 0.00 0.16 -1.26 121.76 120.79 2ain s ALA 89 Ca 0.47 -0.73 -0.16 0.00 0.00 0.00 0.00 51.96 51.54 2ain s ALA 89 Cb -0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2ain s ALA 89 CO 0.28 0.32 0.41 0.15 0.00 0.00 0.00 175.76 176.92 2ain s LYS 90 N -0.19 4.07 0.07 0.00 3.01 0.40 -2.89 119.74 124.22 2ain s LYS 90 Ca 0.02 0.14 -0.03 0.00 -1.01 0.00 0.00 55.97 55.09 2ain s LYS 90 Cb -0.09 -3.62 0.01 0.00 -1.01 0.00 0.00 37.83 33.12 2ain s LYS 90 CO 0.01 -0.23 0.14 0.00 0.51 0.00 0.00 175.35 175.78 2ain n GLN 91 N 5.14 0.21 0.00 1.68 0.00 -1.26 -3.51 117.38 119.64 2ain n GLN 91 Ca -0.07 -0.42 0.00 0.00 0.00 0.00 0.00 57.00 56.51 2ain n GLN 91 Cb 0.51 0.52 0.00 0.00 0.00 0.00 0.00 30.24 31.26 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 -0.10 3.29 0.00 2.61 0.00 -1.26 -5.01 105.19 104.72 2ain n GLY 92 Ca -0.02 -0.13 0.00 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