#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctt s SER 2 N 0.00 -0.36 0.12 1.61 0.15 -1.26 -5.19 113.70 108.77 2ctt s SER 2 Ca 0.00 0.63 -0.26 0.00 0.70 0.00 0.00 55.95 57.02 2ctt s SER 2 Cb 0.00 0.90 0.08 0.00 -1.71 0.00 0.00 66.02 65.28 2ctt s SER 2 CO 0.00 -0.10 1.04 -0.94 1.20 0.00 0.00 173.24 174.44 2ctt s SER 3 N 0.72 -0.14 -0.33 5.45 1.04 -1.26 -5.12 113.70 114.07 2ctt s SER 3 Ca -0.02 -0.37 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 2ctt s SER 3 Cb -0.04 0.42 0.29 0.00 0.10 0.00 0.00 66.02 66.78 2ctt s SER 3 CO -0.12 -0.77 1.28 0.61 0.98 0.00 0.00 173.24 175.22 2ctt n GLY 4 N -0.50 -1.66 3.93 7.32 0.00 -1.26 -5.17 105.19 107.86 2ctt n GLY 4 Ca -0.06 0.95 -0.22 0.00 0.00 0.00 0.00 46.02 46.69 2ctt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctt s SER 5 N -0.26 4.94 0.21 1.61 0.01 -1.26 -5.15 113.70 113.79 2ctt s SER 5 Ca 0.25 -0.93 0.04 0.00 1.31 0.00 0.00 55.95 56.61 2ctt s SER 5 Cb 0.23 -0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.38 2ctt s SER 5 CO -0.11 -0.97 -0.04 -0.44 0.41 0.00 0.00 173.24 172.09 2ctt s SER 6 N -4.31 1.87 0.00 2.44 0.01 -1.26 -5.03 113.70 107.42 2ctt s SER 6 Ca 0.46 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.57 2ctt s SER 6 Cb -0.04 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2ctt s SER 6 CO 0.28 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2ctt n GLY 7 N -0.36 -0.02 3.62 3.44 0.00 -1.26 -5.03 105.19 105.58 2ctt n GLY 7 Ca -0.07 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 2ctt n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ctt n MET 8 N -1.47 -7.46 0.10 1.61 0.00 -1.26 -4.94 117.12 103.70 2ctt n MET 8 Ca 0.00 0.80 -0.04 0.00 0.00 0.00 0.00 57.70 58.45 2ctt n MET 8 Cb 0.00 -5.82 -0.02 0.00 0.00 0.00 0.00 33.22 27.38 2ctt n MET 8 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2ctt h GLU 9 N -2.55 -0.27 -5.49 0.03 4.57 -2.05 -3.47 114.58 105.35 2ctt h GLU 9 Ca -0.57 0.02 -0.58 0.00 -1.18 0.00 0.00 59.36 57.05 2ctt h GLU 9 Cb 1.37 0.06 -0.13 0.00 -0.16 0.00 0.00 28.75 29.89 2ctt h GLU 9 CO 0.58 -0.18 -0.60 -0.51 -1.18 0.00 0.00 179.01 177.12 2ctt s LEU 10 N -6.09 2.61 -0.26 1.64 1.02 -1.26 -5.13 118.68 111.21 2ctt s LEU 10 Ca -0.04 -1.39 0.03 0.00 0.02 0.00 0.00 54.13 52.75 2ctt s LEU 10 Cb 0.00 -0.71 0.06 0.00 0.02 0.00 0.00 46.19 45.57 2ctt s LEU 10 CO 0.12 -0.53 -0.10 -0.89 0.02 0.00 0.00 176.35 174.98 2ctt s THR 11 N -2.92 2.05 -0.21 5.49 2.01 -1.26 -4.96 115.64 115.84 2ctt s THR 11 Ca 0.34 -1.58 0.16 0.00 0.31 0.00 0.00 61.69 60.92 2ctt s THR 11 Cb 0.09 -2.20 0.46 0.00 0.01 0.00 0.00 72.50 70.86 2ctt s THR 11 CO 0.17 -0.06 1.17 0.49 -0.69 0.00 0.00 174.62 175.70 2ctt n PHE 12 N 4.47 1.21 -0.06 4.92 3.72 -1.26 -4.85 117.46 125.62 2ctt n PHE 12 Ca -0.13 -1.71 -0.05 0.00 -0.05 0.00 0.00 57.45 55.50 2ctt n PHE 12 Cb 0.42 -0.25 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 2ctt n PHE 12 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 176.76 173.76 2ctt h ASN 13 N 1.80 0.00 -1.55 4.37 7.08 -2.07 -3.48 115.58 121.74 2ctt h ASN 13 Ca 0.04 -0.19 -0.56 0.00 -3.08 0.00 0.00 56.30 52.51 2ctt h ASN 13 Cb 1.41 0.00 -0.08 0.00 -2.08 0.00 0.00 38.32 37.58 2ctt h ASN 13 CO 0.31 0.72 -0.47 -1.58 -2.08 0.00 0.00 177.43 174.33 2ctt s GLN 14 N -1.90 2.27 0.90 4.14 2.00 -1.26 -5.14 119.66 120.66 2ctt s GLN 14 Ca -0.09 -1.81 -0.13 0.00 -2.00 0.00 0.00 55.36 51.33 2ctt s GLN 14 Cb 0.01 -2.04 0.16 0.00 0.80 0.00 0.00 33.01 31.94 2ctt s GLN 14 CO 0.21 -0.14 1.25 0.00 -0.50 0.00 0.00 175.29 176.11 2ctt s ALA 15 N -2.59 2.50 1.02 1.58 0.00 -1.26 -5.03 121.76 117.98 2ctt s ALA 15 Ca 0.42 -1.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 2ctt s ALA 15 Cb 0.03 -2.73 0.02 0.00 0.00 0.00 0.00 23.12 20.43 2ctt s ALA 15 CO 0.23 -2.14 -0.40 0.00 0.00 0.00 0.00 175.76 173.45 2ctt n ALA 16 N -3.55 -3.26 0.05 0.00 0.00 -1.26 -4.93 120.51 107.57 2ctt n ALA 16 Ca 0.13 -1.18 -0.22 0.00 0.00 0.00 0.00 53.44 52.17 2ctt n ALA 16 Cb 0.60 -1.04 -0.15 0.00 0.00 0.00 0.00 19.45 18.86 2ctt n ALA 16 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2ctt h LYS 17 N -1.89 0.33 0.54 0.00 1.79 -2.03 -3.38 116.57 111.93 2ctt h LYS 17 Ca -0.39 -0.57 -0.02 0.00 -2.18 0.00 0.00 60.65 57.49 2ctt h LYS 17 Cb 1.14 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.99 2ctt h LYS 17 CO 0.25 1.27 -0.50 0.78 -1.08 0.00 0.00 179.45 180.18 2ctt h GLY 18 N 0.01 -1.28 -7.30 3.86 0.00 -2.06 -3.34 103.07 92.98 2ctt h GLY 18 Ca -0.25 0.58 -0.20 0.00 0.00 0.00 0.00 47.33 47.47 2ctt h GLY 18 CO 0.14 -0.38 0.58 0.14 0.00 0.00 0.00 176.54 177.01 2ctt s VAL 19 N -5.80 3.31 0.22 4.60 1.01 -1.26 -4.92 120.40 117.56 2ctt s VAL 19 Ca -0.18 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 2ctt s VAL 19 Cb 0.04 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 2ctt s VAL 19 CO 0.59 -0.61 1.40 0.21 0.00 0.00 0.00 175.10 176.68 2ctt s ASN 20 N 8.13 6.75 0.13 3.32 2.47 -1.25 -4.72 114.94 129.76 2ctt s ASN 20 Ca 0.76 2.54 -0.30 0.00 0.42 0.00 0.00 52.86 56.28 2ctt s ASN 20 Cb -0.05 -2.61 -0.07 0.00 -1.45 0.00 0.00 41.25 37.06 2ctt s ASN 20 CO 0.09 -0.64 1.17 -1.59 -3.72 0.00 0.00 177.10 172.42 2ctt s LYS 21 N -0.09 4.49 -1.16 0.43 -2.85 -1.26 -3.34 119.74 115.95 2ctt s LYS 21 Ca 0.59 1.79 -0.06 0.00 -1.00 0.00 0.00 55.97 57.30 2ctt s LYS 21 Cb -0.40 -3.30 0.01 0.00 -2.06 0.00 0.00 37.83 32.08 2ctt s LYS 21 CO 0.40 -0.12 1.00 0.39 0.10 0.00 0.00 175.35 177.12 2ctt n GLU 22 N 3.10 -6.73 -0.22 1.78 1.02 -1.26 -4.91 120.64 113.43 2ctt n GLU 22 Ca 0.06 0.74 -0.11 0.00 -0.02 0.00 0.00 57.16 57.84 2ctt n GLU 22 Cb 0.46 -5.51 -0.07 0.00 -0.02 0.00 0.00 31.44 26.31 2ctt n GLU 22 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2ctt h PHE 23 N -2.19 -1.52 -1.21 -0.32 3.04 -1.97 -3.42 116.94 109.34 2ctt h PHE 23 Ca -0.51 0.09 0.15 0.00 3.98 0.00 0.00 57.97 61.68 2ctt h PHE 23 Cb 1.32 0.75 -0.23 0.00 2.56 0.00 0.00 35.95 40.35 2ctt h PHE 23 CO 0.43 -0.44 0.14 -0.08 -2.02 0.00 0.00 178.31 176.34 2ctt s THR 24 N -5.72 -0.61 0.11 4.41 -1.32 -1.26 -5.06 115.64 106.18 2ctt s THR 24 Ca -0.14 0.00 -0.34 0.00 -1.21 0.00 0.00 61.69 60.00 2ctt s THR 24 Cb 0.11 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.97 2ctt s THR 24 CO 0.64 0.00 1.56 0.58 -2.21 0.00 0.00 174.62 175.19 2ctt h VAL 25 N 5.61 0.04 -1.53 5.08 2.07 -2.02 -3.42 116.25 122.08 2ctt h VAL 25 Ca -0.16 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 66.68 2ctt h VAL 25 Cb 1.11 0.04 0.09 0.00 -1.52 0.00 0.00 31.29 31.01 2ctt h VAL 25 CO 0.08 0.00 -0.03 -3.20 0.02 0.00 0.00 177.57 174.44 2ctt n ASN 26 N -5.48 0.27 -4.47 0.57 5.15 -1.26 -4.95 115.26 105.10 2ctt n ASN 26 Ca -0.08 1.15 -0.34 0.00 -0.60 0.00 0.00 54.58 54.71 2ctt n ASN 26 Cb 0.40 -1.08 -0.12 0.00 -0.53 0.00 0.00 39.78 38.45 2ctt n ASN 26 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2ctt s ILE 27 N -0.50 3.83 -0.14 -1.44 1.01 -1.26 -5.09 121.20 117.61 2ctt s ILE 27 Ca 0.72 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 61.00 2ctt s ILE 27 Cb -0.94 -2.69 0.03 0.00 0.01 0.00 0.00 42.46 38.86 2ctt s ILE 27 CO 0.55 0.47 -0.08 -0.04 0.00 0.00 0.00 174.94 175.84 2ctt s MET 28 N 0.59 1.66 0.29 2.79 -1.94 -1.26 -4.07 119.30 117.36 2ctt s MET 28 Ca -0.02 -0.42 0.02 0.00 -1.71 0.00 0.00 55.69 53.55 2ctt s MET 28 Cb -0.14 -1.86 -0.04 0.00 2.01 0.00 0.00 34.83 34.79 2ctt s MET 28 CO 0.02 -0.32 0.12 0.34 -0.01 0.00 0.00 175.02 175.18 2ctt s ASP 29 N 1.63 1.50 0.15 3.03 2.15 0.08 -4.95 116.67 120.26 2ctt s ASP 29 Ca 0.03 -1.48 -0.31 0.00 0.43 0.00 0.00 52.55 51.22 2ctt s ASP 29 Cb -0.14 0.27 -0.10 0.00 -0.30 0.00 0.00 42.92 42.66 2ctt s ASP 29 CO -0.08 -0.81 1.57 -0.89 -0.17 0.00 0.00 175.17 174.79 2ctt s THR 30 N -3.63 2.70 0.99 1.71 2.01 -1.26 -0.01 115.64 118.15 2ctt s THR 30 Ca 0.36 0.47 -0.16 0.00 0.31 0.00 0.00 61.69 62.67 2ctt s THR 30 Cb 0.06 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 2ctt s THR 30 CO 0.15 0.03 -0.12 0.00 -0.69 0.00 0.00 174.62 174.00 2ctt n GLU 32 N -0.37 1.86 -0.18 0.00 1.02 -1.26 -3.49 120.64 118.22 2ctt n GLU 32 Ca 0.03 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.09 2ctt n GLU 32 Cb 0.57 -1.13 0.01 0.00 -0.02 0.00 0.00 31.44 30.88 2ctt n GLU 32 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2ctt h ARG 33 N 0.00 0.91 0.00 3.49 2.43 -1.96 -3.22 114.38 116.03 2ctt h ARG 33 Ca -0.14 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2ctt h ARG 33 Cb 1.27 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2ctt h ARG 33 CO -0.01 0.91 -0.85 0.00 -1.51 0.00 0.00 179.97 178.52 2ctt n ASN 35 N -1.45 -5.76 -1.18 0.00 3.02 -1.22 -2.43 115.26 106.24 2ctt n ASN 35 Ca 0.02 -0.44 -0.09 0.00 -0.03 0.00 0.00 54.58 54.04 2ctt n ASN 35 Cb 0.26 -4.39 0.01 0.00 -0.61 0.00 0.00 39.78 35.04 2ctt n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ctt n GLY 36 N -1.77 0.11 0.33 7.41 0.00 -1.24 -4.88 105.19 105.16 2ctt n GLY 36 Ca -0.00 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 2ctt n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ctt n LYS 37 N -1.95 0.45 0.00 1.61 4.76 -1.02 -4.87 118.16 117.14 2ctt n LYS 37 Ca -0.07 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 2ctt n LYS 37 Cb 0.56 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 2ctt n LYS 37 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ctt n GLY 38 N 1.77 1.98 3.35 0.72 0.00 -1.26 -4.88 105.19 106.87 2ctt n GLY 38 Ca -0.41 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 2ctt n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctt s ASN 39 N -2.00 -0.35 0.33 1.61 4.22 -1.26 -3.45 114.94 114.03 2ctt s ASN 39 Ca 0.00 -0.01 -0.29 0.00 -2.14 0.00 0.00 52.86 50.42 2ctt s ASN 39 Cb 0.00 0.47 -0.11 0.00 1.28 0.00 0.00 41.25 42.90 2ctt s ASN 39 CO 0.00 -0.75 1.44 -1.61 -2.04 0.00 0.00 177.10 174.14 2ctt s GLU 40 N -2.86 4.21 0.00 3.55 0.41 -1.02 -4.39 118.70 118.60 2ctt s GLU 40 Ca -0.03 2.42 0.09 0.00 -0.41 0.00 0.00 54.97 57.04 2ctt s GLU 40 Cb -0.00 -3.03 0.52 0.00 -1.78 0.00 0.00 34.13 29.84 2ctt s GLU 40 CO -0.05 -0.43 0.97 -0.35 -0.49 0.00 0.00 175.26 174.91 2ctt n PRO 41 N 1.16 0.49 -1.05 0.39 -0.04 -1.26 -2.46 135.00 132.24 2ctt n PRO 41 Ca 0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 2ctt n PRO 41 Cb 0.40 -1.28 0.07 0.00 -0.04 0.00 0.00 33.50 32.65 2ctt n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ctt n GLY 42 N -0.02 2.22 3.29 0.55 0.00 -1.26 -5.08 105.19 104.88 2ctt n GLY 42 Ca 0.07 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 2ctt n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ctt s THR 43 N -0.99 0.86 0.53 2.61 -4.23 -1.03 -5.17 115.64 108.21 2ctt s THR 43 Ca 0.30 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 58.88 2ctt s THR 43 Cb 0.32 -2.23 0.09 0.00 1.34 0.00 0.00 72.50 72.02 2ctt s THR 43 CO -0.11 -0.40 0.73 0.29 -0.54 0.00 0.00 174.62 174.60 2ctt n LYS 44 N -0.33 0.57 -4.02 3.99 4.76 -1.26 -4.89 118.16 116.98 2ctt n LYS 44 Ca -0.06 -2.72 -0.09 0.00 -2.87 0.00 0.00 58.31 52.58 2ctt n LYS 44 Cb 0.63 -0.26 -0.11 0.00 -1.84 0.00 0.00 35.03 33.46 2ctt n LYS 44 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2ctt s VAL 45 N -2.24 0.18 0.14 -0.18 1.01 -1.26 -4.13 120.40 113.92 2ctt s VAL 45 Ca 0.54 -1.21 0.09 0.00 0.00 0.00 0.00 61.98 61.40 2ctt s VAL 45 Cb -0.04 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2ctt s VAL 45 CO 0.35 -0.65 -0.15 -1.10 0.00 0.00 0.00 175.10 173.54 2ctt s GLN 46 N -2.26 1.87 0.12 2.72 -0.21 -0.39 -4.97 119.66 116.55 2ctt s GLN 46 Ca -0.08 -1.23 -0.30 0.00 0.02 0.00 0.00 55.36 53.77 2ctt s GLN 46 Cb -0.04 -2.12 -0.06 0.00 1.00 0.00 0.00 33.01 31.79 2ctt s GLN 46 CO -0.04 0.46 1.10 -1.58 -2.12 0.00 0.00 175.29 173.11 2ctt s HIS 47 N -1.39 3.58 0.02 0.91 5.65 -1.26 0.35 115.29 123.16 2ctt s HIS 47 Ca 0.21 1.55 -0.18 0.00 0.25 0.00 0.00 55.06 56.88 2ctt s HIS 47 Cb -0.10 -3.28 -0.06 0.00 -1.18 0.00 0.00 32.58 27.97 2ctt s HIS 47 CO 0.12 -0.65 0.52 0.00 -0.65 0.00 0.00 174.74 174.08 2ctt n HIS 49 N 2.11 0.57 -0.24 0.00 8.25 -1.26 -2.71 115.22 121.94 2ctt n HIS 49 Ca -0.10 0.16 -0.06 0.00 -0.26 0.00 0.00 57.72 57.45 2ctt n HIS 49 Cb 0.51 -1.07 -0.06 0.00 1.12 0.00 0.00 29.99 30.50 2ctt n HIS 49 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2ctt n TYR 50 N -3.70 -0.25 -0.03 4.41 4.02 -1.26 -2.02 117.16 118.33 2ctt n TYR 50 Ca -0.41 0.71 -0.19 0.00 -0.01 0.00 0.00 57.90 58.00 2ctt n TYR 50 Cb 0.94 -0.52 -0.14 0.00 -0.02 0.00 0.00 39.34 39.61 2ctt n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ctt n GLY 52 N 1.99 0.67 0.00 0.00 0.00 -0.86 -3.99 105.19 103.00 2ctt n GLY 52 Ca -0.33 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2ctt n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctt n GLY 53 N -2.56 1.14 0.00 -0.02 0.00 -1.25 -4.97 105.19 97.52 2ctt n GLY 53 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2ctt n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctt n SER 54 N 0.00 1.57 -1.09 1.61 3.41 -1.26 -4.76 113.62 113.11 2ctt n SER 54 Ca 0.00 -0.38 -0.12 0.00 -0.26 0.00 0.00 58.87 58.10 2ctt n SER 54 Cb 0.00 1.19 -0.04 0.00 -0.26 0.00 0.00 64.21 65.10 2ctt n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctt n GLY 55 N 1.56 0.89 3.18 5.00 0.00 -1.26 -4.88 105.19 109.68 2ctt n GLY 55 Ca 0.00 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 2ctt n GLY 55 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ctt s MET 56 N -3.52 1.96 0.19 1.61 -2.45 -1.26 -3.41 119.30 112.41 2ctt s MET 56 Ca 0.00 -0.70 0.11 0.00 -1.25 0.00 0.00 55.69 53.85 2ctt s MET 56 Cb 0.00 -1.71 -0.04 0.00 1.25 0.00 0.00 34.83 34.32 2ctt s MET 56 CO 0.00 0.31 -0.24 -2.00 1.05 0.00 0.00 175.02 174.14 2ctt s GLU 57 N -0.09 1.52 -0.05 4.11 2.12 -0.56 -3.93 118.70 121.81 2ctt s GLU 57 Ca -0.02 -1.53 0.04 0.00 0.36 0.00 0.00 54.97 53.82 2ctt s GLU 57 Cb -0.11 -1.85 0.00 0.00 0.26 0.00 0.00 34.13 32.43 2ctt s GLU 57 CO 0.02 0.40 -0.16 0.99 -0.54 0.00 0.00 175.26 175.97 2ctt s THR 58 N -1.68 1.39 -0.44 -1.70 2.01 -1.26 -2.43 115.64 111.52 2ctt s THR 58 Ca 0.21 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 2ctt s THR 58 Cb -0.08 -1.21 0.11 0.00 0.01 0.00 0.00 72.50 71.33 2ctt s THR 58 CO 0.10 0.40 0.28 -0.63 -0.69 0.00 0.00 174.62 174.09 2ctt s ILE 59 N 0.22 3.96 -0.67 1.82 1.09 -0.73 -4.97 121.20 121.91 2ctt s ILE 59 Ca -0.08 -1.76 -0.25 0.00 -1.10 0.00 0.00 60.65 57.47 2ctt s ILE 59 Cb -0.13 -3.58 0.05 0.00 -1.06 0.00 0.00 42.46 37.74 2ctt s ILE 59 CO 0.03 -0.68 1.10 0.20 -0.10 0.00 0.00 174.94 175.49 2ctt s ASN 60 N 2.31 6.21 -0.26 3.58 -0.87 -1.26 -0.39 114.94 124.26 2ctt s ASN 60 Ca 0.05 -0.62 0.02 0.00 -1.57 0.00 0.00 52.86 50.74 2ctt s ASN 60 Cb -0.25 -2.49 0.07 0.00 -0.02 0.00 0.00 41.25 38.57 2ctt s ASN 60 CO -0.01 -1.58 -0.04 0.28 -2.57 0.00 0.00 177.10 173.18 2ctt s THR 61 N 4.78 1.77 0.00 1.60 -1.32 -0.85 -5.02 115.64 116.60 2ctt s THR 61 Ca 0.30 -1.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.27 2ctt s THR 61 Cb -0.12 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.82 2ctt s THR 61 CO 0.14 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.97 2ctt n GLY 62 N 4.56 0.56 0.00 6.08 0.00 -1.26 -2.73 105.19 112.40 2ctt n GLY 62 Ca -0.10 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.21 2ctt n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctt n PRO 63 N 0.00 0.45 -4.57 1.61 -0.04 -1.26 -4.74 135.00 126.44 2ctt n PRO 63 Ca 0.00 0.02 -0.26 0.00 -0.04 0.00 0.00 63.50 63.22 2ctt n PRO 63 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2ctt n PRO 63 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ctt s PHE 64 N -2.09 2.09 -0.02 0.54 -0.12 -1.11 -5.17 117.98 112.11 2ctt s PHE 64 Ca 0.22 -0.92 -0.09 0.00 -0.05 0.00 0.00 56.93 56.09 2ctt s PHE 64 Cb 0.11 -1.47 0.01 0.00 -0.63 0.00 0.00 43.02 41.03 2ctt s PHE 64 CO 0.19 0.13 0.19 0.54 -0.05 0.00 0.00 175.22 176.22 2ctt s VAL 65 N -3.03 0.06 0.45 -2.49 0.11 -1.26 -2.01 120.40 112.22 2ctt s VAL 65 Ca 0.28 -0.51 0.07 0.00 -2.93 0.00 0.00 61.98 58.89 2ctt s VAL 65 Cb 0.07 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.45 2ctt s VAL 65 CO 0.14 -0.28 0.29 -0.04 -3.33 0.00 0.00 175.10 171.87 2ctt s MET 66 N -1.08 2.33 -0.06 1.54 -1.94 0.47 -4.95 119.30 115.61 2ctt s MET 66 Ca -0.12 -1.80 -0.01 0.00 -1.71 0.00 0.00 55.69 52.05 2ctt s MET 66 Cb -0.06 -2.12 0.03 0.00 2.01 0.00 0.00 34.83 34.69 2ctt s MET 66 CO 0.02 -0.26 0.01 1.03 -0.01 0.00 0.00 175.02 175.81 2ctt s ARG 67 N -4.06 0.48 0.00 2.03 1.81 -1.26 -1.78 118.95 116.18 2ctt s ARG 67 Ca 0.41 0.14 -0.10 0.00 -1.72 0.00 0.00 55.73 54.46 2ctt s ARG 67 Cb 0.00 -0.86 0.01 0.00 -0.45 0.00 0.00 34.95 33.66 2ctt s ARG 67 CO 0.23 -0.29 0.20 0.45 -0.68 0.00 0.00 175.30 175.22 2ctt s SER 68 N 1.89 -0.05 0.24 0.23 0.15 -1.02 -5.02 113.70 110.12 2ctt s SER 68 Ca 0.03 -0.12 -0.31 0.00 0.70 0.00 0.00 55.95 56.24 2ctt s SER 68 Cb -0.12 0.25 -0.13 0.00 -1.71 0.00 0.00 66.02 64.31 2ctt s SER 68 CO -0.04 -0.42 1.54 0.41 1.20 0.00 0.00 173.24 175.93 2ctt n THR 69 N 1.30 0.67 -1.21 6.45 -1.04 -1.26 -1.50 114.28 117.69 2ctt n THR 69 Ca -0.22 -0.17 -0.38 0.00 -2.04 0.00 0.00 64.05 61.24 2ctt n THR 69 Cb 0.56 -1.70 0.02 0.00 -1.82 0.00 0.00 70.33 67.39 2ctt n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ctt n ARG 71 N 1.52 1.18 -0.09 0.00 1.85 -1.26 -3.20 116.66 116.66 2ctt n ARG 71 Ca 0.06 0.04 -0.09 0.00 -1.00 0.00 0.00 57.85 56.86 2ctt n ARG 71 Cb 0.49 -1.27 -0.02 0.00 -1.05 0.00 0.00 32.46 30.61 2ctt n ARG 71 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ctt h ARG 72 N 0.00 0.41 0.00 2.89 2.47 -1.99 -3.33 114.38 114.84 2ctt h ARG 72 Ca -0.30 -0.04 -0.40 0.00 -1.26 0.00 0.00 59.98 57.98 2ctt h ARG 72 Cb 1.55 -0.08 -0.07 0.00 -1.65 0.00 0.00 29.97 29.72 2ctt h ARG 72 CO -0.02 0.33 -2.48 0.00 0.56 0.00 0.00 179.97 178.36 2ctt n GLY 74 N 2.11 1.50 1.86 0.00 0.00 -1.19 -4.46 105.19 105.00 2ctt n GLY 74 Ca -0.47 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.43 2ctt n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctt n GLY 75 N -0.63 0.60 0.01 -0.02 0.00 -1.25 -4.87 105.19 99.02 2ctt n GLY 75 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 2ctt n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ctt n ARG 76 N -1.13 0.81 0.00 1.61 0.63 -1.26 -4.70 116.66 112.62 2ctt n ARG 76 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2ctt n ARG 76 Cb 0.51 -1.02 0.00 0.00 0.45 0.00 0.00 32.46 32.40 2ctt n ARG 76 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ctt n GLY 77 N 3.35 1.04 3.52 5.14 0.00 -1.26 -4.68 105.19 112.30 2ctt n GLY 77 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2ctt n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctt s SER 78 N -2.00 -0.48 -0.24 1.61 0.01 -1.26 -3.13 113.70 108.21 2ctt s SER 78 Ca 0.00 0.34 -0.14 0.00 1.31 0.00 0.00 55.95 57.46 2ctt s SER 78 Cb 0.00 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.62 2ctt s SER 78 CO 0.00 -0.57 0.34 -0.63 0.41 0.00 0.00 173.24 172.79 2ctt s ILE 79 N -1.98 5.22 -0.78 1.44 1.09 0.16 -4.53 121.20 121.82 2ctt s ILE 79 Ca -0.02 0.55 -0.20 0.00 -1.10 0.00 0.00 60.65 59.87 2ctt s ILE 79 Cb -0.01 -3.67 0.11 0.00 -1.06 0.00 0.00 42.46 37.83 2ctt s ILE 79 CO -0.00 0.23 0.98 -0.63 -0.10 0.00 0.00 174.94 175.41 2ctt s ILE 80 N 1.60 4.66 0.40 2.92 1.01 -1.26 -1.26 121.20 129.27 2ctt s ILE 80 Ca 0.15 -1.13 0.24 0.00 0.00 0.00 0.00 60.65 59.92 2ctt s ILE 80 Cb -0.15 -4.68 0.41 0.00 0.01 0.00 0.00 42.46 38.05 2ctt s ILE 80 CO 0.08 -1.40 1.61 0.40 0.00 0.00 0.00 174.94 175.63 2ctt h ILE 81 N 5.84 0.10 -3.01 2.92 5.03 -1.96 -3.29 117.51 123.15 2ctt h ILE 81 Ca -0.07 -0.03 -0.51 0.00 -0.12 0.00 0.00 64.86 64.13 2ctt h ILE 81 Cb 1.05 0.00 -0.40 0.00 -3.03 0.00 0.00 36.82 34.44 2ctt h ILE 81 CO 1.11 0.02 -0.76 -0.55 -0.68 0.00 0.00 178.15 177.28 2ctt s SER 82 N -4.55 3.12 0.38 1.72 0.15 -1.26 -5.13 113.70 108.12 2ctt s SER 82 Ca -0.09 -1.04 -0.26 0.00 0.70 0.00 0.00 55.95 55.26 2ctt s SER 82 Cb 0.31 -0.43 -0.09 0.00 -1.71 0.00 0.00 66.02 64.11 2ctt s SER 82 CO 0.80 -0.38 1.20 -2.16 1.20 0.00 0.00 173.24 173.90 2ctt s PRO 83 N 2.01 4.15 0.64 5.44 0.04 -1.24 -2.44 135.00 143.60 2ctt s PRO 83 Ca 0.05 1.93 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 2ctt s PRO 83 Cb -0.16 -2.80 -0.13 0.00 0.04 0.00 0.00 34.50 31.45 2ctt s PRO 83 CO -0.21 -0.26 -0.41 0.00 0.04 0.00 0.00 177.00 176.16 2ctt n VAL 85 N -1.70 0.00 -0.10 0.00 0.24 -1.26 -3.17 118.33 112.34 2ctt n VAL 85 Ca 0.02 -0.29 -0.20 0.00 -2.04 0.00 0.00 64.34 61.84 2ctt n VAL 85 Cb 0.43 1.19 -0.07 0.00 -1.47 0.00 0.00 33.84 33.92 2ctt n VAL 85 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2ctt n VAL 86 N -0.25 1.35 1.02 3.34 0.31 -1.26 -4.63 118.33 118.22 2ctt n VAL 86 Ca 0.07 -0.17 0.12 0.00 -0.01 0.00 0.00 64.34 64.35 2ctt n VAL 86 Cb 0.36 -1.96 0.08 0.00 -0.91 0.00 0.00 33.84 31.42 2ctt n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ctt n ARG 88 N 0.77 -3.03 -2.29 0.00 5.12 -1.19 -0.59 116.66 115.44 2ctt n ARG 88 Ca 0.12 0.54 -0.00 0.00 -1.93 0.00 0.00 57.85 56.58 2ctt n ARG 88 Cb 0.54 -5.21 0.00 0.00 -1.16 0.00 0.00 32.46 26.63 2ctt n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ctt n GLY 89 N -1.03 0.68 0.11 -0.13 0.00 -1.26 -4.76 105.19 98.80 2ctt n GLY 89 Ca -0.07 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 2ctt n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctt n ALA 90 N -1.85 1.37 0.00 4.61 0.00 0.24 -4.90 120.51 119.98 2ctt n ALA 90 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2ctt n ALA 90 Cb 0.50 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2ctt n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ctt n GLY 91 N 1.92 0.41 3.26 0.00 0.00 -1.26 -5.02 105.19 104.49 2ctt n GLY 91 Ca -0.34 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 2ctt n GLY 91 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctt s GLN 92 N -0.98 0.80 0.25 1.61 -0.21 -1.26 -3.16 119.66 116.71 2ctt s GLN 92 Ca 0.00 -0.41 -0.01 0.00 0.02 0.00 0.00 55.36 54.97 2ctt s GLN 92 Cb 0.00 0.35 0.00 0.00 1.00 0.00 0.00 33.01 34.36 2ctt s GLN 92 CO 0.00 -0.25 0.33 0.00 -2.12 0.00 0.00 175.29 173.25 2ctt n ALA 93 N 0.72 -0.17 -2.60 6.09 0.00 0.98 -4.71 120.51 120.83 2ctt n ALA 93 Ca -0.19 -1.16 -0.43 0.00 0.00 0.00 0.00 53.44 51.66 2ctt n ALA 93 Cb 0.59 0.94 -0.04 0.00 0.00 0.00 0.00 19.45 20.94 2ctt n ALA 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2ctt s LYS 94 N -2.60 3.79 -0.55 0.00 0.00 -1.26 -0.74 119.74 118.37 2ctt s LYS 94 Ca 0.21 0.49 -0.01 0.00 0.00 0.00 0.00 55.97 56.67 2ctt s LYS 94 Cb -0.00 -3.82 0.14 0.00 0.00 0.00 0.00 37.83 34.15 2ctt s LYS 94 CO 0.15 -0.98 0.34 -0.65 0.00 0.00 0.00 175.35 174.21 2ctt s GLN 95 N 3.48 2.27 -0.61 1.78 1.11 -1.26 -4.96 119.66 121.47 2ctt s GLN 95 Ca 0.37 -2.42 -0.38 0.00 0.01 0.00 0.00 55.36 52.94 2ctt s GLN 95 Cb -0.12 -3.57 -0.18 0.00 -1.01 0.00 0.00 33.01 28.13 2ctt s GLN 95 CO 0.20 -1.13 2.32 1.63 0.01 0.00 0.00 175.29 178.32 2ctt n LYS 96 N 3.58 0.27 -4.21 2.91 4.76 -1.26 -4.90 118.16 119.30 2ctt n LYS 96 Ca 0.06 0.06 -0.20 0.00 -2.87 0.00 0.00 58.31 55.35 2ctt n LYS 96 Cb 0.37 -1.79 -0.12 0.00 -1.84 0.00 0.00 35.03 31.65 2ctt n LYS 96 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2ctt s LYS 97 N 7.01 0.93 -0.21 1.97 2.47 -1.26 -5.07 119.74 125.58 2ctt s LYS 97 Ca 1.21 -1.04 -0.14 0.00 -1.56 0.00 0.00 55.97 54.44 2ctt s LYS 97 Cb -1.24 -1.01 -0.08 0.00 -1.46 0.00 0.00 37.83 34.04 2ctt s LYS 97 CO 0.56 0.23 -0.32 -2.13 0.16 0.00 0.00 175.35 173.84 2ctt n ARG 98 N 1.16 0.51 -0.07 4.03 0.00 -1.26 -4.87 116.66 116.16 2ctt n ARG 98 Ca -0.20 0.22 -0.06 0.00 -0.00 0.00 0.00 57.85 57.80 2ctt n ARG 98 Cb 0.54 -1.37 -0.02 0.00 0.00 0.00 0.00 32.46 31.61 2ctt n ARG 98 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2ctt n SER 99 N -4.24 1.72 -2.20 6.15 3.41 -1.26 -5.08 113.62 112.12 2ctt n SER 99 Ca -0.33 0.49 -0.02 0.00 -0.26 0.00 0.00 58.87 58.75 2ctt n SER 99 Cb 0.68 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2ctt n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctt n GLY 100 N 1.56 -0.87 3.55 5.00 0.00 -1.26 -4.90 105.19 108.27 2ctt n GLY 100 Ca -0.09 0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 2ctt n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctt s PRO 101 N -2.40 2.63 0.13 1.61 0.04 -1.26 -4.89 135.00 130.85 2ctt s PRO 101 Ca 0.06 0.62 -0.29 0.00 0.04 0.00 0.00 61.00 61.43 2ctt s PRO 101 Cb -0.02 -4.39 -0.09 0.00 0.04 0.00 0.00 34.50 30.05 2ctt s PRO 101 CO 0.36 -2.73 1.49 0.77 0.04 0.00 0.00 177.00 176.93 2ctt h SER 102 N 14.98 -1.77 -2.37 6.66 0.02 -2.06 -3.30 113.55 125.70 2ctt h SER 102 Ca -0.26 0.25 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 2ctt h SER 102 Cb 1.16 0.75 -0.06 0.00 0.14 0.00 0.00 62.40 64.39 2ctt h SER 102 CO 1.22 -0.31 1.17 -0.55 -1.14 0.00 0.00 176.83 177.21 2ctt s SER 103 N -4.96 5.87 0.00 3.07 0.15 -1.26 -5.30 113.70 111.26 2ctt s SER 103 Ca -0.12 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.55 2ctt s SER 103 Cb 0.08 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2ctt s SER 103 CO 0.55 -1.97 0.00 0.61 1.20 0.00 0.00 173.24 173.63