#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 -2.02 -3.03 2.12 0.00 -1.26 -4.97 118.16 109.00 2ain n LYS 2 Ca 0.00 1.87 -0.41 0.00 0.00 0.00 0.00 58.31 59.77 2ain n LYS 2 Cb 0.00 -4.97 -0.06 0.00 0.00 0.00 0.00 35.03 30.00 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 -2.31 4.04 1.14 1.64 2.12 -1.26 -5.06 118.70 119.01 2ain s GLU 3 Ca 0.20 0.57 -0.19 0.00 0.36 0.00 0.00 54.97 55.91 2ain s GLU 3 Cb -0.06 -3.68 0.28 0.00 0.26 0.00 0.00 34.13 30.93 2ain s GLU 3 CO 0.64 -0.53 1.00 -0.35 -0.54 0.00 0.00 175.26 175.48 2ain n PRO 4 N 5.92 -3.03 -3.87 4.30 -0.04 -1.26 -5.04 135.00 131.98 2ain n PRO 4 Ca 0.01 -1.60 -0.30 0.00 -0.04 0.00 0.00 63.50 61.58 2ain n PRO 4 Cb 0.48 -1.51 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 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 -5.27 1.42 -0.03 0.54 2.12 -1.23 -4.99 118.70 111.26 2ain s GLU 5 Ca 0.65 -1.96 -0.18 0.00 0.36 0.00 0.00 54.97 53.84 2ain s GLU 5 Cb -0.07 -2.79 -0.05 0.00 0.26 0.00 0.00 34.13 31.48 2ain s GLU 5 CO 0.50 -1.05 0.50 0.42 -0.54 0.00 0.00 175.26 175.09 2ain s ILE 6 N 0.58 5.01 -0.03 -3.70 1.09 -1.26 0.08 121.20 122.97 2ain s ILE 6 Ca 0.14 1.03 -0.03 0.00 -1.10 0.00 0.00 60.65 60.69 2ain s ILE 6 Cb -0.22 -3.83 0.01 0.00 -1.06 0.00 0.00 42.46 37.37 2ain s ILE 6 CO -0.07 0.45 0.09 0.27 -0.10 0.00 0.00 174.94 175.58 2ain s ILE 7 N -0.29 -0.01 -0.54 2.92 -5.25 0.15 -4.99 121.20 113.19 2ain s ILE 7 Ca 0.27 0.03 -0.12 0.00 -0.99 0.00 0.00 60.65 59.85 2ain s ILE 7 Cb -0.17 -0.13 0.14 0.00 2.95 0.00 0.00 42.46 45.24 2ain s ILE 7 CO 0.14 0.01 0.45 -0.89 -1.79 0.00 0.00 174.94 172.86 2ain s THR 8 N 0.23 4.67 0.63 8.37 2.01 -1.26 -1.68 115.64 128.61 2ain s THR 8 Ca -0.02 -1.82 -0.03 0.00 0.31 0.00 0.00 61.69 60.14 2ain s THR 8 Cb -0.03 -4.02 0.05 0.00 0.01 0.00 0.00 72.50 68.51 2ain s THR 8 CO -0.01 -0.84 0.90 0.68 -0.69 0.00 0.00 174.62 174.66 2ain s VAL 9 N 1.25 2.51 -0.24 3.82 -7.23 -0.81 -4.90 120.40 114.80 2ain s VAL 9 Ca 0.07 -0.45 0.01 0.00 -1.81 0.00 0.00 61.98 59.80 2ain s VAL 9 Cb -0.26 -3.02 0.06 0.00 0.56 0.00 0.00 36.38 33.73 2ain s VAL 9 CO -0.00 -0.02 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.83 2ain s THR 10 N -3.01 1.59 0.18 5.32 2.01 -1.26 -2.22 115.64 118.25 2ain s THR 10 Ca 0.59 -1.31 0.07 0.00 0.31 0.00 0.00 61.69 61.34 2ain s THR 10 Cb -0.11 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2ain s THR 10 CO 0.42 -0.14 0.04 -0.76 -0.69 0.00 0.00 174.62 173.49 2ain s LEU 11 N 1.36 3.45 -0.26 4.42 1.43 0.17 -4.93 118.68 124.31 2ain s LEU 11 Ca -0.05 -0.34 -0.07 0.00 -1.03 0.00 0.00 54.13 52.64 2ain s LEU 11 Cb -0.19 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 2ain s LEU 11 CO -0.07 0.07 0.06 -0.54 0.23 0.00 0.00 176.35 176.10 2ain s LYS 12 N -3.06 3.48 -0.50 1.70 1.02 -1.26 0.01 119.74 121.13 2ain s LYS 12 Ca 0.29 -0.59 -0.26 0.00 0.02 0.00 0.00 55.97 55.43 2ain s LYS 12 Cb -0.09 -3.29 -0.06 0.00 -0.52 0.00 0.00 37.83 33.87 2ain s LYS 12 CO 0.20 -0.25 2.27 0.21 -0.92 0.00 0.00 175.35 176.86 2ain s LYS 13 N 1.57 2.29 -0.89 1.68 2.20 0.15 -4.65 119.74 122.09 2ain s LYS 13 Ca 0.05 1.26 -0.12 0.00 -0.36 0.00 0.00 55.97 56.81 2ain s LYS 13 Cb -0.15 -4.52 0.23 0.00 -1.51 0.00 0.00 37.83 31.87 2ain s LYS 13 CO 0.02 -3.08 0.84 -1.14 -0.36 0.00 0.00 175.35 171.63 2ain s GLN 14 N 7.85 3.69 -1.44 4.03 2.00 -1.26 -4.58 119.66 129.95 2ain s GLN 14 Ca 0.91 -2.67 -0.11 0.00 -2.00 0.00 0.00 55.36 51.49 2ain s GLN 14 Cb -0.17 -4.41 0.04 0.00 0.80 0.00 0.00 33.01 29.27 2ain s GLN 14 CO 0.25 -1.27 1.06 -1.71 -0.50 0.00 0.00 175.29 173.12 2ain n ASN 15 N 3.60 -5.73 0.00 6.67 4.05 -1.26 -4.71 115.26 117.88 2ain n ASN 15 Ca 0.16 -0.61 0.00 0.00 0.45 0.00 0.00 54.58 54.58 2ain n ASN 15 Cb 0.44 -4.54 0.00 0.00 1.23 0.00 0.00 39.78 36.92 2ain n ASN 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2ain n GLY 16 N -1.84 0.96 0.00 8.20 0.00 -1.26 -4.99 105.19 106.25 2ain n GLY 16 Ca 0.02 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2ain n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ain n MET 17 N 1.06 0.00 0.00 1.61 2.81 -1.26 -4.76 117.12 116.58 2ain n MET 17 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2ain n MET 17 Cb 0.00 -0.50 0.00 0.00 -0.71 0.00 0.00 33.22 32.01 2ain n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ain n GLY 18 N 2.50 0.80 3.91 3.03 0.00 -1.26 -4.60 105.19 109.57 2ain n GLY 18 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 2.58 0.11 0.99 0.05 -1.26 -3.15 118.68 118.00 2ain s LEU 19 Ca 0.00 0.54 0.07 0.00 0.05 0.00 0.00 54.13 54.79 2ain s LEU 19 Cb 0.00 -2.81 -0.04 0.00 -2.05 0.00 0.00 46.19 41.29 2ain s LEU 19 CO 0.00 -2.32 -0.18 -0.44 -0.55 0.00 0.00 176.35 172.86 2ain s SER 20 N -4.71 2.27 0.02 1.48 0.01 0.38 -4.85 113.70 108.29 2ain s SER 20 Ca 0.68 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2ain s SER 20 Cb -0.08 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 2ain s SER 20 CO 0.51 -0.02 -0.03 0.27 0.41 0.00 0.00 173.24 174.37 2ain s ILE 21 N -1.50 0.15 0.05 1.44 -5.25 -1.26 -0.62 121.20 114.21 2ain s ILE 21 Ca 0.06 -1.00 0.07 0.00 -0.99 0.00 0.00 60.65 58.80 2ain s ILE 21 Cb -0.08 -0.39 -0.03 0.00 2.95 0.00 0.00 42.46 44.91 2ain s ILE 21 CO 0.04 -0.53 -0.19 -0.69 -1.79 0.00 0.00 174.94 171.78 2ain s VAL 22 N -1.66 1.52 -0.25 8.37 1.01 0.31 -4.64 120.40 125.07 2ain s VAL 22 Ca -0.14 -1.18 -0.07 0.00 0.00 0.00 0.00 61.98 60.59 2ain s VAL 22 Cb -0.09 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2ain s VAL 22 CO -0.02 0.12 0.05 0.00 0.00 0.00 0.00 175.10 175.26 2ain s ALA 23 N -0.85 3.10 0.02 5.51 0.00 -1.26 -0.92 121.76 127.36 2ain s ALA 23 Ca 0.06 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 2ain s ALA 23 Cb -0.09 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.00 2ain s ALA 23 CO 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 175.76 175.29 2ain s ALA 24 N 1.59 0.09 0.52 0.00 0.00 -1.21 -5.04 121.76 117.71 2ain s ALA 24 Ca 0.06 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.43 2ain s ALA 24 Cb -0.15 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.14 2ain s ALA 24 CO 0.02 -0.20 0.05 1.17 0.00 0.00 0.00 175.76 176.80 2ain n LYS 25 N 1.35 0.74 0.00 0.00 4.81 -1.26 -3.59 118.16 120.21 2ain n LYS 25 Ca -0.22 -3.72 0.00 0.00 -0.87 0.00 0.00 58.31 53.50 2ain n LYS 25 Cb 0.56 0.92 0.00 0.00 0.02 0.00 0.00 35.03 36.53 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 -1.22 3.74 3.64 3.14 0.00 -1.26 -5.11 105.19 108.12 2ain n GLY 26 Ca -0.19 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.02 3.14 -1.24 4.61 0.00 -1.26 -4.55 121.76 121.44 2ain s ALA 27 Ca 0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 2ain s ALA 27 Cb 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.88 2ain s ALA 27 CO 0.00 0.62 1.08 0.41 0.00 0.00 0.00 175.76 177.87 2ain n GLY 28 N 1.57 -0.42 2.74 0.00 0.00 -1.26 -4.99 105.19 102.82 2ain n GLY 28 Ca -0.15 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -6.08 0.73 -0.15 1.61 2.00 -1.26 -4.99 119.66 111.52 2ain s GLN 29 Ca 0.46 -0.62 0.08 0.00 -2.00 0.00 0.00 55.36 53.28 2ain s GLN 29 Cb -0.20 -2.08 0.49 0.00 0.80 0.00 0.00 33.01 32.02 2ain s GLN 29 CO 0.68 -0.74 1.27 -3.47 -0.50 0.00 0.00 175.29 172.53 2ain n ASP 30 N 4.98 3.84 -0.79 6.67 2.03 -1.26 -4.86 116.55 127.16 2ain n ASP 30 Ca -0.07 -2.58 0.00 0.00 0.52 0.00 0.00 54.79 52.65 2ain n ASP 30 Cb 0.45 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 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 0.33 0.00 -3.91 -0.67 4.01 -1.26 -4.89 118.16 111.77 2ain n LYS 31 Ca 0.18 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.78 2ain n LYS 31 Cb 0.84 0.00 -0.17 0.00 -0.51 0.00 0.00 35.03 35.19 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 0.95 -0.08 -0.35 2.96 -1.26 -4.92 118.68 115.98 2ain s LEU 32 Ca 0.00 -0.05 -0.22 0.00 -0.22 0.00 0.00 54.13 53.64 2ain s LEU 32 Cb 0.00 -0.32 -0.04 0.00 0.50 0.00 0.00 46.19 46.33 2ain s LEU 32 CO 0.00 -0.13 0.62 -0.83 -1.32 0.00 0.00 176.35 174.69 2ain s GLY 33 N 1.36 2.55 -1.17 7.98 0.00 -1.24 -4.33 107.32 112.48 2ain s GLY 33 Ca -0.05 0.03 -0.07 0.00 0.00 0.00 0.00 44.72 44.63 2ain s GLY 33 CO -0.02 1.02 1.62 1.39 0.00 0.00 0.00 173.10 177.11 2ain n ILE 34 N 3.66 4.85 -0.79 0.90 2.08 -1.26 -3.31 119.36 125.49 2ain n ILE 34 Ca -0.03 -5.23 -0.31 0.00 0.56 0.00 0.00 62.75 57.74 2ain n ILE 34 Cb 0.51 -2.24 0.16 0.00 -0.75 0.00 0.00 39.64 37.32 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 -1.21 1.77 -0.26 1.39 2.02 -0.10 -3.49 117.35 117.48 2ain s TYR 35 Ca 0.35 1.72 -0.14 0.00 -0.37 0.00 0.00 57.07 58.63 2ain s TYR 35 Cb 0.06 -3.28 -0.04 0.00 -0.40 0.00 0.00 41.96 38.29 2ain s TYR 35 CO 0.05 -2.69 0.34 0.08 -1.57 0.00 0.00 175.55 171.76 2ain s VAL 36 N -2.69 5.21 -0.03 0.71 1.01 -0.29 0.11 120.40 124.43 2ain s VAL 36 Ca 0.66 0.52 -0.21 0.00 0.00 0.00 0.00 61.98 62.95 2ain s VAL 36 Cb -0.22 -3.67 -0.32 0.00 0.00 0.00 0.00 36.38 32.17 2ain s VAL 36 CO 0.58 0.20 0.90 0.50 0.00 0.00 0.00 175.10 177.28 2ain h LYS 37 N 8.01 0.35 -3.34 2.72 3.64 -1.13 0.13 116.57 126.96 2ain h LYS 37 Ca -0.33 -0.59 -0.09 0.00 -1.27 0.00 0.00 60.65 58.37 2ain h LYS 37 Cb 1.17 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 2ain h LYS 37 CO 0.65 1.28 0.13 -1.54 -2.27 0.00 0.00 179.45 177.70 2ain s SER 38 N -7.09 0.26 -0.06 4.20 1.04 -1.17 -4.69 113.70 106.19 2ain s SER 38 Ca -0.13 -1.22 -0.02 0.00 0.48 0.00 0.00 55.95 55.06 2ain s SER 38 Cb 0.02 0.79 0.04 0.00 0.10 0.00 0.00 66.02 66.96 2ain s SER 38 CO 0.85 -1.56 0.11 0.68 0.98 0.00 0.00 173.24 174.30 2ain s VAL 39 N -2.61 -0.15 0.15 5.02 -7.23 -1.26 -0.47 120.40 113.84 2ain s VAL 39 Ca 0.20 0.33 -0.34 0.00 -1.81 0.00 0.00 61.98 60.35 2ain s VAL 39 Cb -0.04 -0.21 -0.15 0.00 0.56 0.00 0.00 36.38 36.54 2ain s VAL 39 CO 0.14 0.14 1.34 0.55 -0.31 0.00 0.00 175.10 176.95 2ain n VAL 40 N 4.98 0.41 -3.01 1.32 3.14 -1.19 -4.90 118.33 119.07 2ain n VAL 40 Ca -0.11 -0.10 -0.44 0.00 -2.96 0.00 0.00 64.34 60.72 2ain n VAL 40 Cb 0.50 -1.04 -0.03 0.00 -1.06 0.00 0.00 33.84 32.21 2ain n VAL 40 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2ain s LYS 41 N 0.17 3.45 0.00 1.45 -0.14 -1.26 -3.88 119.74 119.53 2ain s LYS 41 Ca 0.78 -1.69 0.00 0.00 -1.36 0.00 0.00 55.97 53.69 2ain s LYS 41 Cb -0.83 -4.65 0.00 0.00 -1.68 0.00 0.00 37.83 30.66 2ain s LYS 41 CO 0.47 -1.67 0.00 0.41 -0.76 0.00 0.00 175.35 173.81 2ain n GLY 42 N 5.20 1.03 0.00 -3.33 0.00 -1.26 -5.10 105.19 101.73 2ain n GLY 42 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 -2.28 0.15 -0.02 0.00 -1.25 -4.80 105.19 96.99 2ain n GLY 43 Ca 0.00 -1.45 0.15 0.00 0.00 0.00 0.00 46.02 44.72 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 2.66 -0.08 4.61 0.00 -1.26 -3.12 120.51 120.32 2ain n ALA 44 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 2ain n ALA 44 Cb 0.00 -1.39 -0.12 0.00 0.00 0.00 0.00 19.45 17.94 2ain n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ain n ALA 45 N -0.71 1.13 -0.04 0.00 0.00 -1.26 -3.67 120.51 115.96 2ain n ALA 45 Ca 0.20 -0.85 -0.15 0.00 0.00 0.00 0.00 53.44 52.64 2ain n ALA 45 Cb 0.22 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 2ain n ALA 45 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2ain h ASP 46 N -0.29 0.49 -0.66 0.00 3.58 -1.74 -1.97 116.42 115.83 2ain h ASP 46 Ca -0.52 -0.61 -0.07 0.00 0.42 0.00 0.00 57.03 56.24 2ain h ASP 46 Cb 1.81 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 42.69 2ain h ASP 46 CO -0.11 1.02 0.13 0.58 -2.88 0.00 0.00 179.24 177.98 2ain h VAL 47 N -0.01 1.26 -0.09 2.25 2.07 -1.77 -3.14 116.25 116.82 2ain h VAL 47 Ca -0.01 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 2ain h VAL 47 Cb 0.98 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2ain h VAL 47 CO 0.07 0.38 -0.07 0.44 0.02 0.00 0.00 177.57 178.41 2ain h ASP 48 N 1.02 0.21 -1.07 0.57 3.32 -1.63 -3.48 116.42 115.36 2ain h ASP 48 Ca 0.21 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2ain h ASP 48 Cb 0.41 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2ain h ASP 48 CO 0.01 0.64 0.00 0.61 -1.72 0.00 0.00 179.24 178.77 2ain n GLY 49 N 0.17 0.74 0.11 2.75 0.00 -0.74 -5.02 105.19 103.20 2ain n GLY 49 Ca -0.07 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.54 0.64 -4.33 1.61 5.12 -1.24 -5.02 116.66 112.90 2ain n ARG 50 Ca 0.00 0.11 -0.19 0.00 -1.93 0.00 0.00 57.85 55.84 2ain n ARG 50 Cb 0.37 -1.45 -0.10 0.00 -1.16 0.00 0.00 32.46 30.11 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 -6.18 2.53 0.00 0.55 0.05 -1.26 -5.04 118.68 109.32 2ain s LEU 51 Ca -0.28 -0.98 0.02 0.00 0.05 0.00 0.00 54.13 52.94 2ain s LEU 51 Cb 0.07 -0.67 -0.01 0.00 -2.05 0.00 0.00 46.19 43.54 2ain s LEU 51 CO 0.55 -0.15 0.20 0.00 -0.55 0.00 0.00 176.35 176.39 2ain n ALA 52 N -0.20 0.10 -1.83 1.48 0.00 -1.26 -4.78 120.51 114.02 2ain n ALA 52 Ca -0.09 -0.91 -0.40 0.00 0.00 0.00 0.00 53.44 52.03 2ain n ALA 52 Cb 0.60 0.74 -0.04 0.00 0.00 0.00 0.00 19.45 20.74 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 -2.44 3.40 0.00 0.00 0.00 -1.26 -3.84 121.76 117.61 2ain s ALA 53 Ca 0.18 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2ain s ALA 53 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2ain s ALA 53 CO 0.13 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.12 2ain n GLY 54 N 1.41 0.95 3.40 0.00 0.00 0.46 -4.99 105.19 106.42 2ain n GLY 54 Ca -0.00 -0.58 -0.32 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 -2.84 3.69 0.37 1.61 1.01 -1.25 -4.79 116.67 114.47 2ain s ASP 55 Ca 0.00 -0.31 -0.22 0.00 0.71 0.00 0.00 52.55 52.73 2ain s ASP 55 Cb 0.00 -0.83 -0.10 0.00 1.01 0.00 0.00 42.92 43.00 2ain s ASP 55 CO 0.00 0.31 0.91 -1.58 0.21 0.00 0.00 175.17 175.01 2ain s GLN 56 N -0.50 4.32 0.14 8.23 0.74 -1.22 -1.13 119.66 130.23 2ain s GLN 56 Ca 0.06 1.12 0.03 0.00 0.05 0.00 0.00 55.36 56.62 2ain s GLN 56 Cb -0.12 -2.46 -0.04 0.00 1.10 0.00 0.00 33.01 31.50 2ain s GLN 56 CO 0.01 0.12 0.25 -1.17 -0.55 0.00 0.00 175.29 173.96 2ain s LEU 57 N -2.70 4.25 0.23 3.68 2.96 -1.23 -1.39 118.68 124.48 2ain s LEU 57 Ca 0.56 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 2ain s LEU 57 Cb -0.13 -2.83 0.00 0.00 0.50 0.00 0.00 46.19 43.73 2ain s LEU 57 CO 0.18 0.07 0.00 -0.11 -1.32 0.00 0.00 176.35 175.16 2ain n LEU 58 N -0.42 -0.23 -4.14 -0.68 0.00 -0.48 -4.56 117.00 106.50 2ain n LEU 58 Ca -0.07 0.39 -0.12 0.00 0.00 0.00 0.00 56.01 56.22 2ain n LEU 58 Cb 0.54 0.40 -0.10 0.00 0.00 0.00 0.00 43.42 44.26 2ain n LEU 58 CO 0.48 -0.70 -0.39 -0.44 0.00 0.00 0.00 177.39 176.33 2ain s SER 59 N -4.92 1.10 -0.05 1.96 0.01 -1.19 -4.18 113.70 106.44 2ain s SER 59 Ca 0.00 -0.86 -0.02 0.00 1.31 0.00 0.00 55.95 56.38 2ain s SER 59 Cb 0.00 0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.33 2ain s SER 59 CO 0.00 -0.37 0.10 -0.69 0.41 0.00 0.00 173.24 172.69 2ain s VAL 60 N -2.87 -0.13 -1.53 3.43 1.01 -1.20 -1.57 120.40 117.53 2ain s VAL 60 Ca 0.05 0.33 -0.03 0.00 0.00 0.00 0.00 61.98 62.33 2ain s VAL 60 Cb 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.20 2ain s VAL 60 CO -0.03 0.14 0.34 -0.67 0.00 0.00 0.00 175.10 174.88 2ain n ASP 61 N 4.93 -5.51 -1.07 3.32 2.03 0.65 -1.35 116.55 119.55 2ain n ASP 61 Ca -0.12 -0.16 -0.10 0.00 0.52 0.00 0.00 54.79 54.93 2ain n ASP 61 Cb 0.50 -4.52 -0.01 0.00 -0.72 0.00 0.00 41.12 36.37 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 -1.25 0.20 3.66 0.27 0.00 -1.26 -4.87 105.19 101.95 2ain n GLY 62 Ca -0.15 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.16 2.15 -0.39 1.61 0.52 -0.46 -5.11 118.95 113.11 2ain s ARG 63 Ca 0.00 -1.72 -0.08 0.00 -0.52 0.00 0.00 55.73 53.40 2ain s ARG 63 Cb 0.00 -1.98 0.06 0.00 0.52 0.00 0.00 34.95 33.55 2ain s ARG 63 CO 0.00 0.11 0.20 0.45 0.02 0.00 0.00 175.30 176.08 2ain s SER 64 N -3.76 5.54 -0.24 0.23 0.15 -1.26 -3.24 113.70 111.13 2ain s SER 64 Ca 0.36 -1.34 0.10 0.00 0.70 0.00 0.00 55.95 55.77 2ain s SER 64 Cb -0.00 -1.95 0.43 0.00 -1.71 0.00 0.00 66.02 62.79 2ain s SER 64 CO 0.20 -0.45 1.21 0.00 1.20 0.00 0.00 173.24 175.40 2ain n LEU 65 N 4.89 3.43 -4.54 3.45 -0.00 -1.26 -4.99 117.00 117.97 2ain n LEU 65 Ca -0.11 -4.18 -0.41 0.00 -0.00 0.00 0.00 56.01 51.31 2ain n LEU 65 Cb 0.44 -0.47 -0.03 0.00 -0.00 0.00 0.00 43.42 43.36 2ain n LEU 65 CO 0.36 1.63 1.16 -0.69 -0.00 0.00 0.00 177.39 179.86 2ain s VAL 66 N -3.68 3.81 0.00 1.47 1.01 -1.26 -3.24 120.40 118.51 2ain s VAL 66 Ca 0.42 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2ain s VAL 66 Cb 0.38 -4.91 0.00 0.00 0.00 0.00 0.00 36.38 31.85 2ain s VAL 66 CO -0.03 -1.83 0.00 0.61 0.00 0.00 0.00 175.10 173.85 2ain n GLY 67 N 5.53 1.94 3.70 4.51 0.00 -1.26 -4.89 105.19 114.72 2ain n GLY 67 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 3.40 0.66 0.99 1.43 -1.20 -4.78 118.68 119.18 2ain s LEU 68 Ca 0.00 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 2ain s LEU 68 Cb 0.00 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2ain s LEU 68 CO 0.00 0.02 1.18 -0.94 0.23 0.00 0.00 176.35 176.83 2ain s SER 69 N -3.51 4.81 0.43 2.29 1.04 -1.26 -4.71 113.70 112.79 2ain s SER 69 Ca 0.31 2.25 0.19 0.00 0.48 0.00 0.00 55.95 59.18 2ain s SER 69 Cb -0.08 -2.58 1.11 0.00 0.10 0.00 0.00 66.02 64.58 2ain s SER 69 CO 0.21 -1.84 1.86 -0.61 0.98 0.00 0.00 173.24 173.84 2ain h GLN 70 N 0.21 0.36 -0.09 4.02 4.15 -1.98 -0.82 115.11 120.96 2ain h GLN 70 Ca -0.48 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 58.90 2ain h GLN 70 Cb 1.28 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 2ain h GLN 70 CO 0.53 0.24 0.01 1.49 -1.93 0.00 0.00 178.83 179.17 2ain h GLU 71 N 0.37 0.16 -0.45 1.69 4.81 -1.99 -1.85 114.58 117.33 2ain h GLU 71 Ca 0.46 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.62 2ain h GLU 71 Cb 1.20 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2ain h GLU 71 CO -0.16 0.40 0.17 0.00 -0.73 0.00 0.00 179.01 178.68 2ain h ARG 72 N -0.10 0.68 0.61 1.92 -0.00 -1.56 0.96 114.38 116.90 2ain h ARG 72 Ca 0.03 -0.13 -0.03 0.00 -0.50 0.00 0.00 59.98 59.35 2ain h ARG 72 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.19 2ain h ARG 72 CO 0.00 0.63 -0.31 0.00 0.00 0.00 0.00 179.97 180.30 2ain h ALA 73 N 1.01 -0.84 -0.33 0.04 0.00 -1.22 -1.04 119.26 116.88 2ain h ALA 73 Ca 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2ain h ALA 73 Cb 0.22 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2ain h ALA 73 CO -0.01 -0.98 0.14 0.00 0.00 0.00 0.00 179.25 178.41 2ain h ALA 74 N -0.45 0.43 -0.14 0.00 0.00 -1.34 -2.36 119.26 115.40 2ain h ALA 74 Ca -0.08 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2ain h ALA 74 Cb 0.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2ain h ALA 74 CO 0.12 0.02 0.14 1.49 0.00 0.00 0.00 179.25 181.02 2ain h GLU 75 N 0.39 0.00 -0.02 0.00 4.22 -0.75 -2.35 114.58 116.07 2ain h GLU 75 Ca 0.11 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.50 2ain h GLU 75 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2ain h GLU 75 CO -0.01 0.00 -0.19 -0.07 -2.18 0.00 0.00 179.01 176.56 2ain h LEU 76 N 0.00 0.20 -0.19 1.64 3.38 -0.65 -2.65 115.31 117.04 2ain h LEU 76 Ca 0.07 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2ain h LEU 76 Cb 0.35 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2ain h LEU 76 CO -0.00 0.89 0.12 0.24 0.09 0.00 0.00 178.44 179.78 2ain h MET 77 N -0.47 0.25 -0.57 1.13 2.86 -1.23 -2.39 114.93 114.51 2ain h MET 77 Ca -0.02 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2ain h MET 77 Cb 0.91 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 2ain h MET 77 CO 0.04 0.19 0.31 0.00 1.06 0.00 0.00 176.91 178.51 2ain h THR 78 N 0.24 1.18 -0.41 2.22 1.03 -1.57 -3.02 112.91 112.57 2ain h THR 78 Ca 0.07 -0.44 -0.41 0.00 -0.01 0.00 0.00 66.41 65.62 2ain h THR 78 Cb -0.00 0.40 -0.09 0.00 -1.07 0.00 0.00 68.15 67.39 2ain h THR 78 CO -0.01 0.19 0.78 0.54 -0.01 0.00 0.00 175.52 177.01 2ain n ARG 79 N -4.39 2.64 -4.56 0.00 5.12 -0.90 -4.89 116.66 109.67 2ain n ARG 79 Ca 0.05 -1.81 -0.31 0.00 -1.93 0.00 0.00 57.85 53.86 2ain n ARG 79 Cb 0.10 -2.23 -0.07 0.00 -1.16 0.00 0.00 32.46 29.10 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 0.07 1.45 0.00 0.55 -4.23 -1.14 -4.93 115.64 107.41 2ain s THR 80 Ca 0.64 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 2ain s THR 80 Cb 0.30 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.79 2ain s THR 80 CO -0.08 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 173.76 2ain n SER 81 N -1.29 0.00 -0.17 3.99 2.88 -1.26 -4.95 113.62 112.82 2ain n SER 81 Ca -0.13 -0.39 0.16 0.00 -1.33 0.00 0.00 58.87 57.19 2ain n SER 81 Cb 0.66 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 64.64 2ain n SER 81 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ain h SER 82 N 0.00 0.37 -3.19 -3.46 0.02 -1.96 -3.40 113.55 101.93 2ain h SER 82 Ca 0.00 0.02 -0.68 0.00 -0.84 0.00 0.00 61.79 60.30 2ain h SER 82 Cb 0.00 -0.05 -0.13 0.00 0.14 0.00 0.00 62.40 62.36 2ain h SER 82 CO 0.00 0.18 -0.60 -0.69 -1.14 0.00 0.00 176.83 174.59 2ain s VAL 83 N -5.38 4.54 -0.08 2.27 1.01 -1.26 -0.67 120.40 120.82 2ain s VAL 83 Ca -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 2ain s VAL 83 Cb 0.21 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.68 2ain s VAL 83 CO 0.77 0.57 0.03 -0.69 0.00 0.00 0.00 175.10 175.77 2ain s VAL 84 N -0.95 0.25 -0.57 2.92 1.01 0.10 -4.89 120.40 118.27 2ain s VAL 84 Ca 0.15 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.05 2ain s VAL 84 Cb -0.11 -0.50 0.11 0.00 0.00 0.00 0.00 36.38 35.87 2ain s VAL 84 CO 0.04 0.15 0.62 -0.89 0.00 0.00 0.00 175.10 175.02 2ain s THR 85 N 2.02 4.97 -0.31 3.92 2.01 -1.26 -0.66 115.64 126.32 2ain s THR 85 Ca 0.04 -1.13 -0.12 0.00 0.31 0.00 0.00 61.69 60.79 2ain s THR 85 Cb -0.13 -4.42 -0.03 0.00 0.01 0.00 0.00 72.50 67.94 2ain s THR 85 CO -0.05 -1.00 0.21 -0.76 -0.69 0.00 0.00 174.62 172.32 2ain s LEU 86 N 2.29 4.28 -0.51 4.42 1.02 -0.94 -0.25 118.68 128.98 2ain s LEU 86 Ca 0.09 -0.30 -0.14 0.00 0.02 0.00 0.00 54.13 53.79 2ain s LEU 86 Cb -0.26 -2.11 0.11 0.00 0.02 0.00 0.00 46.19 43.96 2ain s LEU 86 CO 0.05 -0.17 0.44 -0.70 0.02 0.00 0.00 176.35 176.00 2ain s GLU 87 N 1.72 2.89 0.43 1.70 2.12 -0.61 -1.93 118.70 125.03 2ain s GLU 87 Ca 0.06 -1.62 0.07 0.00 0.36 0.00 0.00 54.97 53.84 2ain s GLU 87 Cb -0.17 -4.18 -0.03 0.00 0.26 0.00 0.00 34.13 30.01 2ain s GLU 87 CO 0.10 -1.22 0.25 0.14 -0.54 0.00 0.00 175.26 173.99 2ain s VAL 88 N 1.56 2.27 -0.07 3.70 -7.23 -0.68 -1.38 120.40 118.58 2ain s VAL 88 Ca 0.04 -1.60 0.04 0.00 -1.81 0.00 0.00 61.98 58.64 2ain s VAL 88 Cb -0.28 -2.87 -0.02 0.00 0.56 0.00 0.00 36.38 33.78 2ain s VAL 88 CO 0.03 0.00 -0.18 0.00 -0.31 0.00 0.00 175.10 174.64 2ain s ALA 89 N -2.60 2.47 -0.31 1.32 0.00 -0.48 -0.67 121.76 121.47 2ain s ALA 89 Ca 0.41 -0.99 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 2ain s ALA 89 Cb 0.01 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 2ain s ALA 89 CO 0.23 0.43 0.48 0.15 0.00 0.00 0.00 175.76 177.05 2ain s LYS 90 N -0.27 3.79 0.23 0.00 -0.14 0.11 -3.42 119.74 120.04 2ain s LYS 90 Ca 0.01 -0.03 -0.22 0.00 -1.36 0.00 0.00 55.97 54.37 2ain s LYS 90 Cb -0.13 -3.74 0.04 0.00 -1.68 0.00 0.00 37.83 32.32 2ain s LYS 90 CO 0.03 -0.50 0.71 1.14 -0.76 0.00 0.00 175.35 175.97 2ain s GLN 91 N 2.29 1.58 0.00 1.68 0.00 -1.26 -3.56 119.66 120.39 2ain s GLN 91 Ca 0.18 -0.81 0.00 0.00 -0.00 0.00 0.00 55.36 54.73 2ain s GLN 91 Cb -0.16 0.58 0.00 0.00 0.00 0.00 0.00 33.01 33.44 2ain s GLN 91 CO 0.12 -0.72 0.00 0.41 0.00 0.00 0.00 175.29 175.10 2ain n GLY 92 N -0.43 0.03 0.00 2.60 0.00 -1.26 -4.95 105.19 101.18 2ain n GLY 92 Ca -0.08 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.84 2ain n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32