#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 -0.10 0.05 1.61 0.01 -1.26 -5.19 113.70 108.82 2ctt s SER 2 Ca 0.00 -0.88 -0.27 0.00 1.31 0.00 0.00 55.95 56.11 2ctt s SER 2 Cb 0.00 0.77 0.09 0.00 0.21 0.00 0.00 66.02 67.10 2ctt s SER 2 CO 0.00 -1.48 1.20 -0.55 0.41 0.00 0.00 173.24 172.81 2ctt s SER 3 N -3.00 -0.02 -0.28 2.44 0.15 -1.26 -5.19 113.70 106.54 2ctt s SER 3 Ca 0.14 -0.33 -0.30 0.00 0.70 0.00 0.00 55.95 56.16 2ctt s SER 3 Cb -0.05 0.27 0.19 0.00 -1.71 0.00 0.00 66.02 64.72 2ctt s SER 3 CO 0.09 -0.53 1.36 -0.83 1.20 0.00 0.00 173.24 174.54 2ctt s GLY 4 N -3.48 0.06 -0.19 9.45 0.00 -1.26 -5.19 107.32 106.71 2ctt s GLY 4 Ca 0.23 2.75 -0.33 0.00 0.00 0.00 0.00 44.72 47.37 2ctt s GLY 4 CO 0.01 1.07 1.19 -0.45 0.00 0.00 0.00 173.10 174.91 2ctt s SER 5 N -1.11 -0.17 -0.16 1.64 0.15 -1.26 -5.19 113.70 107.60 2ctt s SER 5 Ca 0.09 0.08 -0.34 0.00 0.70 0.00 0.00 55.95 56.48 2ctt s SER 5 Cb -0.01 0.16 0.13 0.00 -1.71 0.00 0.00 66.02 64.60 2ctt s SER 5 CO -0.07 -0.23 1.16 -0.94 1.20 0.00 0.00 173.24 174.35 2ctt s SER 6 N -1.76 -0.18 0.29 5.45 1.04 -1.26 -5.19 113.70 112.09 2ctt s SER 6 Ca 0.07 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2ctt s SER 6 Cb -0.01 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2ctt s SER 6 CO -0.05 -0.29 0.02 0.61 0.98 0.00 0.00 173.24 174.52 2ctt n GLY 7 N -0.07 3.75 3.60 7.32 0.00 -1.26 -5.17 105.19 113.36 2ctt n GLY 7 Ca -0.01 -2.30 -0.14 0.00 0.00 0.00 0.00 46.02 43.57 2ctt n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ctt s MET 8 N -3.05 0.83 0.27 1.61 1.00 -1.26 -5.18 119.30 113.52 2ctt s MET 8 Ca 0.02 0.66 0.05 0.00 0.00 0.00 0.00 55.69 56.42 2ctt s MET 8 Cb -0.00 0.40 -0.06 0.00 0.00 0.00 0.00 34.83 35.17 2ctt s MET 8 CO 0.01 -0.17 -0.01 -1.21 0.00 0.00 0.00 175.02 173.65 2ctt s GLU 9 N -0.21 1.48 -0.06 2.03 2.02 -1.26 -5.17 118.70 117.53 2ctt s GLU 9 Ca -0.03 -1.77 -0.13 0.00 0.02 0.00 0.00 54.97 53.07 2ctt s GLU 9 Cb -0.03 -0.84 0.03 0.00 0.10 0.00 0.00 34.13 33.38 2ctt s GLU 9 CO 0.03 -0.08 0.31 -0.51 0.02 0.00 0.00 175.26 175.03 2ctt s LEU 10 N -3.39 0.83 0.08 1.80 1.43 -1.26 -5.17 118.68 113.00 2ctt s LEU 10 Ca 0.31 0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 53.48 2ctt s LEU 10 Cb 0.06 1.18 0.08 0.00 0.03 0.00 0.00 46.19 47.54 2ctt s LEU 10 CO 0.11 -0.29 0.89 0.28 0.23 0.00 0.00 176.35 177.57 2ctt s THR 11 N -0.63 0.00 -0.52 5.49 -1.32 -1.26 -5.11 115.64 112.29 2ctt s THR 11 Ca -0.07 -0.28 0.05 0.00 -1.21 0.00 0.00 61.69 60.17 2ctt s THR 11 Cb -0.04 -1.41 0.18 0.00 -1.51 0.00 0.00 72.50 69.72 2ctt s THR 11 CO 0.02 0.00 0.44 2.22 -2.21 0.00 0.00 174.62 175.09 2ctt n PHE 12 N -0.35 0.82 -3.46 9.09 -1.74 -1.26 -5.05 117.46 115.51 2ctt n PHE 12 Ca -0.08 -3.72 0.01 0.00 -0.56 0.00 0.00 57.45 53.10 2ctt n PHE 12 Cb 0.62 -0.14 -0.05 0.00 1.52 0.00 0.00 39.48 41.42 2ctt n PHE 12 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2ctt s ASN 13 N -0.74 -0.30 -0.29 5.98 2.20 -1.26 -5.17 114.94 115.37 2ctt s ASN 13 Ca 0.31 0.43 -0.21 0.00 -0.94 0.00 0.00 52.86 52.46 2ctt s ASN 13 Cb 0.03 1.25 0.14 0.00 -2.00 0.00 0.00 41.25 40.67 2ctt s ASN 13 CO -0.17 -0.06 1.07 0.00 -2.94 0.00 0.00 177.10 174.99 2ctt s GLN 14 N 1.75 0.37 -0.30 3.55 1.03 -1.26 -5.16 119.66 119.64 2ctt s GLN 14 Ca -0.05 0.53 -0.12 0.00 0.04 0.00 0.00 55.36 55.77 2ctt s GLN 14 Cb -0.03 0.14 0.17 0.00 0.03 0.00 0.00 33.01 33.32 2ctt s GLN 14 CO -0.15 -0.06 0.94 0.00 -2.54 0.00 0.00 175.29 173.48 2ctt s ALA 15 N 0.72 -2.85 -0.30 2.60 0.00 -1.26 -5.16 121.76 115.51 2ctt s ALA 15 Ca -0.02 1.83 -0.16 0.00 0.00 0.00 0.00 51.96 53.62 2ctt s ALA 15 Cb -0.04 -2.21 0.16 0.00 0.00 0.00 0.00 23.12 21.03 2ctt s ALA 15 CO -0.11 -1.17 1.00 0.00 0.00 0.00 0.00 175.76 175.48 2ctt s ALA 16 N 2.69 -2.54 -0.22 0.00 0.00 -1.26 -5.14 121.76 115.29 2ctt s ALA 16 Ca 0.01 2.10 -0.04 0.00 0.00 0.00 0.00 51.96 54.04 2ctt s ALA 16 Cb -0.09 -1.92 0.07 0.00 0.00 0.00 0.00 23.12 21.18 2ctt s ALA 16 CO -0.16 -0.68 0.08 0.15 0.00 0.00 0.00 175.76 175.15 2ctt s LYS 17 N 1.93 0.36 0.00 0.00 1.02 -1.26 -5.14 119.74 116.65 2ctt s LYS 17 Ca -0.05 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.55 2ctt s LYS 17 Cb -0.05 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 2ctt s LYS 17 CO -0.16 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 173.92 2ctt n GLY 18 N 5.15 -0.56 3.38 -3.33 0.00 -1.26 -5.09 105.19 103.47 2ctt n GLY 18 Ca -0.07 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 2ctt n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctt s VAL 19 N -0.08 2.32 -0.26 1.61 0.11 -1.26 -5.12 120.40 117.73 2ctt s VAL 19 Ca 0.00 -1.36 -0.03 0.00 -2.93 0.00 0.00 61.98 57.66 2ctt s VAL 19 Cb 0.00 -1.93 0.02 0.00 -1.53 0.00 0.00 36.38 32.94 2ctt s VAL 19 CO 0.00 0.35 -0.02 0.20 -3.33 0.00 0.00 175.10 172.30 2ctt s ASN 20 N -1.33 4.54 -0.16 3.54 -0.87 -1.26 -4.91 114.94 114.50 2ctt s ASN 20 Ca 0.13 -0.79 -0.13 0.00 -1.57 0.00 0.00 52.86 50.49 2ctt s ASN 20 Cb -0.10 -1.73 0.04 0.00 -0.02 0.00 0.00 41.25 39.44 2ctt s ASN 20 CO 0.03 -0.14 0.41 -0.54 -2.57 0.00 0.00 177.10 174.29 2ctt s LYS 21 N 1.39 0.46 -1.30 -0.60 1.02 -1.26 -5.07 119.74 114.37 2ctt s LYS 21 Ca 0.01 0.61 -0.11 0.00 0.02 0.00 0.00 55.97 56.51 2ctt s LYS 21 Cb -0.17 0.18 0.15 0.00 -0.52 0.00 0.00 37.83 37.47 2ctt s LYS 21 CO -0.02 -0.08 1.89 -0.85 -0.92 0.00 0.00 175.35 175.37 2ctt n GLU 22 N 3.14 3.47 -1.79 1.68 0.28 -1.26 -4.99 120.64 121.17 2ctt n GLU 22 Ca -0.15 -3.41 -0.40 0.00 -0.16 0.00 0.00 57.16 53.04 2ctt n GLU 22 Cb 0.57 -3.00 0.02 0.00 1.43 0.00 0.00 31.44 30.45 2ctt n GLU 22 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2ctt s PHE 23 N 1.00 2.44 0.56 -1.84 0.08 -1.26 -5.01 117.98 113.95 2ctt s PHE 23 Ca 0.41 1.26 -0.03 0.00 0.12 0.00 0.00 56.93 58.69 2ctt s PHE 23 Cb 0.09 -3.93 0.02 0.00 -0.57 0.00 0.00 43.02 38.63 2ctt s PHE 23 CO -0.01 -2.97 0.83 0.95 -0.10 0.00 0.00 175.22 173.92 2ctt s THR 24 N -1.20 3.37 -0.08 0.64 -4.23 -1.26 -4.96 115.64 107.92 2ctt s THR 24 Ca 0.61 -0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 60.82 2ctt s THR 24 Cb -0.44 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.09 2ctt s THR 24 CO 0.56 -0.28 2.31 0.55 -0.54 0.00 0.00 174.62 177.22 2ctt n VAL 25 N -2.45 2.38 -3.54 2.29 3.14 -1.26 -4.55 118.33 114.33 2ctt n VAL 25 Ca 0.05 -1.01 -0.28 0.00 -2.96 0.00 0.00 64.34 60.14 2ctt n VAL 25 Cb 0.58 -1.55 -0.11 0.00 -1.06 0.00 0.00 33.84 31.70 2ctt n VAL 25 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2ctt s ASN 26 N 1.57 2.68 -0.31 6.55 -0.87 -1.26 -5.10 114.94 118.20 2ctt s ASN 26 Ca 0.20 -2.91 -0.29 0.00 -1.57 0.00 0.00 52.86 48.29 2ctt s ASN 26 Cb 0.12 -0.72 0.00 0.00 -0.02 0.00 0.00 41.25 40.63 2ctt s ASN 26 CO -0.01 -0.21 1.26 -0.63 -2.57 0.00 0.00 177.10 174.94 2ctt s ILE 27 N 0.11 4.21 -0.22 0.60 1.01 -1.26 -4.99 121.20 120.65 2ctt s ILE 27 Ca 0.26 1.36 -0.03 0.00 0.00 0.00 0.00 60.65 62.24 2ctt s ILE 27 Cb -0.09 -4.22 0.07 0.00 0.01 0.00 0.00 42.46 38.24 2ctt s ILE 27 CO -0.11 -0.49 0.05 -0.04 0.00 0.00 0.00 174.94 174.35 2ctt s MET 28 N 4.09 0.64 0.28 2.79 -1.94 -1.26 -4.47 119.30 119.42 2ctt s MET 28 Ca 0.54 -0.55 0.04 0.00 -1.71 0.00 0.00 55.69 54.01 2ctt s MET 28 Cb -0.16 -2.03 -0.06 0.00 2.01 0.00 0.00 34.83 34.59 2ctt s MET 28 CO 0.22 -0.73 0.02 -0.51 -0.01 0.00 0.00 175.02 174.01 2ctt s ASP 29 N 1.83 2.16 0.26 3.03 1.01 0.72 -4.91 116.67 120.77 2ctt s ASP 29 Ca 0.01 -1.28 -0.30 0.00 0.71 0.00 0.00 52.55 51.70 2ctt s ASP 29 Cb -0.17 -0.05 -0.10 0.00 1.01 0.00 0.00 42.92 43.61 2ctt s ASP 29 CO -0.13 -0.53 1.33 -0.89 0.21 0.00 0.00 175.17 175.16 2ctt s THR 30 N -3.32 2.92 0.88 -1.27 2.01 -1.26 -0.11 115.64 115.49 2ctt s THR 30 Ca 0.32 0.82 -0.14 0.00 0.31 0.00 0.00 61.69 63.00 2ctt s THR 30 Cb 0.07 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 69.06 2ctt s THR 30 CO 0.12 0.15 0.42 0.00 -0.69 0.00 0.00 174.62 174.63 2ctt n GLU 32 N -1.32 1.41 -0.26 0.00 1.02 -1.26 -3.25 120.64 116.98 2ctt n GLU 32 Ca 0.08 0.03 -0.03 0.00 -0.02 0.00 0.00 57.16 57.21 2ctt n GLU 32 Cb 0.52 -1.17 0.08 0.00 -0.02 0.00 0.00 31.44 30.86 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 0.86 -0.00 3.49 2.43 -1.96 -3.05 114.38 116.15 2ctt h ARG 33 Ca -0.18 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 2ctt h ARG 33 Cb 1.34 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2ctt h ARG 33 CO -0.01 0.57 -0.48 0.00 -1.51 0.00 0.00 179.97 178.54 2ctt n ASN 35 N -1.10 -4.77 -0.84 0.00 5.03 -1.16 -2.01 115.26 110.41 2ctt n ASN 35 Ca 0.03 -0.47 -0.11 0.00 0.87 0.00 0.00 54.58 54.89 2ctt n ASN 35 Cb 0.19 -4.36 -0.05 0.00 -1.02 0.00 0.00 39.78 34.54 2ctt n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ctt n GLY 36 N -1.61 1.22 0.07 7.41 0.00 -1.20 -4.90 105.19 106.18 2ctt n GLY 36 Ca -0.06 -0.52 -0.06 0.00 0.00 0.00 0.00 46.02 45.38 2ctt n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ctt h LYS 37 N 0.00 0.00 0.00 1.61 1.79 -1.68 -3.43 116.57 114.87 2ctt h LYS 37 Ca -0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 2ctt h LYS 37 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2ctt h LYS 37 CO 0.33 0.18 0.00 0.41 -1.08 0.00 0.00 179.45 179.28 2ctt n GLY 38 N 1.63 1.77 3.21 3.86 0.00 -1.26 -4.76 105.19 109.63 2ctt n GLY 38 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 0.15 0.34 1.61 4.22 -1.26 -3.04 114.94 114.95 2ctt s ASN 39 Ca 0.00 -0.71 -0.29 0.00 -2.14 0.00 0.00 52.86 49.72 2ctt s ASN 39 Cb 0.00 0.34 -0.11 0.00 1.28 0.00 0.00 41.25 42.76 2ctt s ASN 39 CO 0.00 -0.73 1.39 -1.61 -2.04 0.00 0.00 177.10 174.10 2ctt s GLU 40 N -3.88 4.26 0.00 3.55 2.02 -0.84 -4.32 118.70 119.48 2ctt s GLU 40 Ca 0.07 2.35 0.07 0.00 0.02 0.00 0.00 54.97 57.47 2ctt s GLU 40 Cb 0.05 -3.04 0.40 0.00 0.10 0.00 0.00 34.13 31.64 2ctt s GLU 40 CO -0.10 -0.33 0.85 -0.35 0.02 0.00 0.00 175.26 175.35 2ctt n PRO 41 N 0.88 0.49 -0.00 0.39 -0.04 -1.25 -2.11 135.00 133.35 2ctt n PRO 41 Ca 0.01 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.49 2ctt n PRO 41 Cb 0.41 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.42 4.01 0.55 0.00 -1.26 -5.04 105.19 103.85 2ctt n GLY 42 Ca 0.05 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.60 2.66 0.53 2.61 -4.23 -0.90 -5.13 115.64 109.58 2ctt s THR 43 Ca 0.01 -0.92 0.09 0.00 -1.18 0.00 0.00 61.69 59.68 2ctt s THR 43 Cb 0.03 -2.74 0.06 0.00 1.34 0.00 0.00 72.50 71.19 2ctt s THR 43 CO 0.16 0.00 0.67 -0.54 -0.54 0.00 0.00 174.62 174.37 2ctt s LYS 44 N -4.55 2.40 0.03 3.99 1.02 -1.26 -4.89 119.74 116.47 2ctt s LYS 44 Ca 0.58 -1.63 0.02 0.00 0.02 0.00 0.00 55.97 54.96 2ctt s LYS 44 Cb -0.09 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 2ctt s LYS 44 CO 0.36 -0.68 -0.07 0.08 -0.92 0.00 0.00 175.35 174.12 2ctt s VAL 45 N -2.62 0.51 0.05 3.17 1.01 -1.26 -4.11 120.40 117.15 2ctt s VAL 45 Ca 0.55 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.73 2ctt s VAL 45 Cb -0.06 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2ctt s VAL 45 CO 0.34 -0.24 -0.03 -1.10 0.00 0.00 0.00 175.10 174.07 2ctt s GLN 46 N -1.18 2.54 0.12 2.72 -0.21 -0.71 -4.97 119.66 117.97 2ctt s GLN 46 Ca -0.07 -0.79 -0.30 0.00 0.02 0.00 0.00 55.36 54.23 2ctt s GLN 46 Cb -0.08 -2.52 -0.06 0.00 1.00 0.00 0.00 33.01 31.35 2ctt s GLN 46 CO 0.00 0.57 1.05 -1.58 -2.12 0.00 0.00 175.29 173.21 2ctt s HIS 47 N -1.17 3.66 -0.08 0.91 5.65 -1.26 0.14 115.29 123.15 2ctt s HIS 47 Ca 0.22 1.65 -0.15 0.00 0.25 0.00 0.00 55.06 57.02 2ctt s HIS 47 Cb -0.11 -3.19 -0.05 0.00 -1.18 0.00 0.00 32.58 28.04 2ctt s HIS 47 CO 0.13 -0.32 0.39 0.00 -0.65 0.00 0.00 174.74 174.29 2ctt h HIS 49 N 5.76 0.36 -0.66 0.00 2.76 -1.95 -2.29 115.15 119.13 2ctt h HIS 49 Ca -0.46 -0.26 0.06 0.00 -2.20 0.00 0.00 60.37 57.50 2ctt h HIS 49 Cb 1.20 -0.01 -0.08 0.00 1.55 0.00 0.00 27.41 30.06 2ctt h HIS 49 CO 0.66 1.69 -0.39 0.66 -1.30 0.00 0.00 177.93 179.25 2ctt n TYR 50 N -3.77 -0.29 -0.08 5.26 4.02 -1.26 -2.34 117.16 118.70 2ctt n TYR 50 Ca -0.31 0.83 -0.19 0.00 -0.01 0.00 0.00 57.90 58.21 2ctt n TYR 50 Cb 0.94 -0.55 -0.13 0.00 -0.02 0.00 0.00 39.34 39.59 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 2.14 0.76 0.20 0.00 0.00 -0.86 -4.32 105.19 103.12 2ctt n GLY 52 Ca -0.40 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.39 1.40 0.00 -0.02 0.00 -1.19 -4.96 105.19 98.03 2ctt n GLY 53 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.20 2.83 -0.03 1.61 3.41 -1.26 -4.83 113.62 115.55 2ctt n SER 54 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ctt n SER 54 Cb 0.06 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 1.89 0.87 2.87 5.00 0.00 -1.26 -4.80 105.19 109.76 2ctt n GLY 55 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.14 0.08 0.13 1.61 -2.45 -1.26 -3.74 119.30 110.53 2ctt s MET 56 Ca 0.00 -0.01 0.10 0.00 -1.25 0.00 0.00 55.69 54.52 2ctt s MET 56 Cb 0.00 -0.10 -0.04 0.00 1.25 0.00 0.00 34.83 35.93 2ctt s MET 56 CO 0.00 -0.00 -0.21 -2.00 1.05 0.00 0.00 175.02 173.86 2ctt s GLU 57 N 0.11 1.67 -0.12 4.11 2.12 -0.22 -3.93 118.70 122.44 2ctt s GLU 57 Ca -0.01 -1.24 0.03 0.00 0.36 0.00 0.00 54.97 54.10 2ctt s GLU 57 Cb -0.02 -2.04 -0.00 0.00 0.26 0.00 0.00 34.13 32.33 2ctt s GLU 57 CO -0.00 0.47 -0.21 0.99 -0.54 0.00 0.00 175.26 175.96 2ctt s THR 58 N -1.15 2.26 -0.58 -1.70 2.01 -1.26 -2.50 115.64 112.71 2ctt s THR 58 Ca 0.17 -0.94 -0.10 0.00 0.31 0.00 0.00 61.69 61.14 2ctt s THR 58 Cb -0.10 -1.89 0.15 0.00 0.01 0.00 0.00 72.50 70.66 2ctt s THR 58 CO 0.09 0.55 0.47 -0.63 -0.69 0.00 0.00 174.62 174.41 2ctt s ILE 59 N 0.48 4.52 -0.75 1.82 1.09 -0.82 -4.98 121.20 122.55 2ctt s ILE 59 Ca -0.14 -2.12 -0.25 0.00 -1.10 0.00 0.00 60.65 57.04 2ctt s ILE 59 Cb -0.17 -3.91 0.05 0.00 -1.06 0.00 0.00 42.46 37.36 2ctt s ILE 59 CO 0.06 -0.86 1.20 0.20 -0.10 0.00 0.00 174.94 175.43 2ctt s ASN 60 N 2.30 6.22 -0.29 3.58 0.01 -1.26 -0.67 114.94 124.82 2ctt s ASN 60 Ca 0.10 -0.78 0.03 0.00 -0.71 0.00 0.00 52.86 51.50 2ctt s ASN 60 Cb -0.22 -2.51 0.08 0.00 0.41 0.00 0.00 41.25 39.00 2ctt s ASN 60 CO -0.03 -1.66 -0.03 0.28 -1.51 0.00 0.00 177.10 174.16 2ctt s THR 61 N 5.04 2.03 0.00 1.60 -1.32 -0.67 -5.01 115.64 117.30 2ctt s THR 61 Ca 0.32 -1.83 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 2ctt s THR 61 Cb -0.10 -2.32 0.00 0.00 -1.51 0.00 0.00 72.50 68.58 2ctt s THR 61 CO 0.10 -0.30 0.00 0.61 -2.21 0.00 0.00 174.62 172.82 2ctt n GLY 62 N 4.43 0.45 0.00 6.08 0.00 -1.26 -2.83 105.19 112.06 2ctt n GLY 62 Ca -0.06 -0.82 0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 0.38 -4.44 1.61 -0.04 -1.26 -4.74 135.00 126.52 2ctt n PRO 63 Ca 0.00 0.06 -0.21 0.00 -0.04 0.00 0.00 63.50 63.30 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 -2.22 1.95 -0.06 0.54 -0.12 -1.13 -5.16 117.98 111.79 2ctt s PHE 64 Ca 0.20 -0.77 -0.05 0.00 -0.05 0.00 0.00 56.93 56.26 2ctt s PHE 64 Cb 0.10 -1.17 0.02 0.00 -0.63 0.00 0.00 43.02 41.35 2ctt s PHE 64 CO 0.20 0.21 0.15 0.54 -0.05 0.00 0.00 175.22 176.27 2ctt s VAL 65 N -3.08 -0.01 0.50 -2.49 0.11 -1.26 -1.67 120.40 112.49 2ctt s VAL 65 Ca 0.31 0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.46 2ctt s VAL 65 Cb 0.05 -0.23 0.03 0.00 -1.53 0.00 0.00 36.38 34.71 2ctt s VAL 65 CO 0.13 0.02 0.68 -0.04 -3.33 0.00 0.00 175.10 172.56 2ctt s MET 66 N 0.36 2.61 -0.11 1.54 -1.94 0.15 -4.93 119.30 116.99 2ctt s MET 66 Ca -0.02 -1.17 -0.02 0.00 -1.71 0.00 0.00 55.69 52.76 2ctt s MET 66 Cb -0.04 -2.65 0.04 0.00 2.01 0.00 0.00 34.83 34.20 2ctt s MET 66 CO -0.01 -0.55 0.03 1.03 -0.01 0.00 0.00 175.02 175.51 2ctt s ARG 67 N -4.55 0.42 0.02 2.03 1.81 -1.26 -1.95 118.95 115.47 2ctt s ARG 67 Ca 0.57 0.01 -0.03 0.00 -1.72 0.00 0.00 55.73 54.55 2ctt s ARG 67 Cb -0.09 -1.28 -0.01 0.00 -0.45 0.00 0.00 34.95 33.11 2ctt s ARG 67 CO 0.36 -0.44 0.05 0.45 -0.68 0.00 0.00 175.30 175.04 2ctt s SER 68 N 2.01 0.19 0.31 0.23 0.15 -1.04 -5.04 113.70 110.51 2ctt s SER 68 Ca 0.03 -0.48 -0.29 0.00 0.70 0.00 0.00 55.95 55.91 2ctt s SER 68 Cb -0.14 0.17 -0.13 0.00 -1.71 0.00 0.00 66.02 64.21 2ctt s SER 68 CO -0.06 -0.40 1.26 0.41 1.20 0.00 0.00 173.24 175.65 2ctt n THR 69 N 1.19 1.77 -0.92 6.45 -1.04 -1.26 -1.06 114.28 119.41 2ctt n THR 69 Ca -0.21 -0.44 -0.35 0.00 -2.04 0.00 0.00 64.05 61.01 2ctt n THR 69 Cb 0.57 -1.44 0.07 0.00 -1.82 0.00 0.00 70.33 67.71 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 0.73 2.30 0.17 0.00 1.74 -1.26 -3.97 116.66 116.37 2ctt n ARG 71 Ca 0.02 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.96 2ctt n ARG 71 Cb 0.55 -1.04 -0.08 0.00 -1.02 0.00 0.00 32.46 30.87 2ctt n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ctt h ARG 72 N 0.00 -0.38 0.07 5.56 2.47 -2.00 -3.34 114.38 116.75 2ctt h ARG 72 Ca -0.04 0.03 -0.31 0.00 -1.26 0.00 0.00 59.98 58.39 2ctt h ARG 72 Cb 1.08 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.46 2ctt h ARG 72 CO -0.00 -0.16 -1.71 0.00 0.56 0.00 0.00 179.97 178.66 2ctt n GLY 74 N 1.74 1.77 1.69 0.00 0.00 -1.25 -4.58 105.19 104.55 2ctt n GLY 74 Ca -0.33 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.61 0.79 0.00 -0.02 0.00 -1.26 -4.91 105.19 99.19 2ctt n GLY 75 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.83 1.78 0.00 1.61 3.00 -1.26 -4.74 116.66 116.22 2ctt n ARG 76 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2ctt n ARG 76 Cb 0.50 -0.96 0.00 0.00 0.00 0.00 0.00 32.46 32.01 2ctt n ARG 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ctt n GLY 77 N 3.06 0.43 3.39 5.14 0.00 -1.26 -4.65 105.19 111.30 2ctt n GLY 77 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.08 -0.21 -0.20 1.61 0.01 -1.26 -3.00 113.70 108.57 2ctt s SER 78 Ca 0.00 -0.44 -0.16 0.00 1.31 0.00 0.00 55.95 56.67 2ctt s SER 78 Cb 0.00 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.70 2ctt s SER 78 CO 0.00 -0.93 0.40 -0.63 0.41 0.00 0.00 173.24 172.49 2ctt s ILE 79 N -3.85 5.20 -0.24 1.44 1.09 0.12 -4.62 121.20 120.34 2ctt s ILE 79 Ca 0.07 0.71 -0.16 0.00 -1.10 0.00 0.00 60.65 60.16 2ctt s ILE 79 Cb 0.01 -3.73 -0.03 0.00 -1.06 0.00 0.00 42.46 37.65 2ctt s ILE 79 CO -0.07 0.25 0.44 -0.63 -0.10 0.00 0.00 174.94 174.83 2ctt s ILE 80 N 1.28 5.14 0.15 2.92 1.01 -1.26 -1.73 121.20 128.71 2ctt s ILE 80 Ca 0.19 0.75 0.05 0.00 0.00 0.00 0.00 60.65 61.64 2ctt s ILE 80 Cb -0.15 -3.76 -0.17 0.00 0.01 0.00 0.00 42.46 38.39 2ctt s ILE 80 CO 0.08 0.16 1.35 0.40 0.00 0.00 0.00 174.94 176.93 2ctt h ILE 81 N 5.26 1.58 -3.24 2.92 5.03 -1.96 -3.43 117.51 123.67 2ctt h ILE 81 Ca -0.32 -2.92 -0.44 0.00 -0.12 0.00 0.00 64.86 61.05 2ctt h ILE 81 Cb 1.15 2.62 -0.39 0.00 -3.03 0.00 0.00 36.82 37.18 2ctt h ILE 81 CO 0.70 0.84 -0.76 -0.55 -0.68 0.00 0.00 178.15 177.70 2ctt s SER 82 N -6.85 1.82 0.18 1.72 0.15 -1.26 -5.11 113.70 104.35 2ctt s SER 82 Ca -0.01 -0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.09 2ctt s SER 82 Cb 0.10 -0.37 -0.09 0.00 -1.71 0.00 0.00 66.02 63.95 2ctt s SER 82 CO 0.82 -0.25 1.31 -2.16 1.20 0.00 0.00 173.24 174.17 2ctt s PRO 83 N 2.02 4.38 0.83 5.44 0.04 -1.26 -1.99 135.00 144.45 2ctt s PRO 83 Ca 0.04 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.95 2ctt s PRO 83 Cb -0.14 -3.21 -0.11 0.00 0.04 0.00 0.00 34.50 31.09 2ctt s PRO 83 CO -0.06 -0.28 -0.28 0.00 0.04 0.00 0.00 177.00 176.43 2ctt n VAL 85 N -2.37 0.00 -0.12 0.00 0.24 -1.26 -3.16 118.33 111.65 2ctt n VAL 85 Ca 0.03 -0.36 -0.26 0.00 -2.04 0.00 0.00 64.34 61.72 2ctt n VAL 85 Cb 0.53 1.20 -0.09 0.00 -1.47 0.00 0.00 33.84 34.01 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 -0.01 1.31 0.44 3.34 0.31 -1.26 -4.67 118.33 117.78 2ctt n VAL 86 Ca 0.07 -0.33 0.10 0.00 -0.01 0.00 0.00 64.34 64.16 2ctt n VAL 86 Cb 0.34 -1.83 -0.13 0.00 -0.91 0.00 0.00 33.84 31.31 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 -1.84 -4.77 -3.26 0.00 5.12 -1.19 -3.39 116.66 107.34 2ctt n ARG 88 Ca -0.00 0.59 -0.16 0.00 -1.93 0.00 0.00 57.85 56.35 2ctt n ARG 88 Cb 0.42 -4.85 0.07 0.00 -1.16 0.00 0.00 32.46 26.94 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 -1.16 -0.23 0.05 -0.13 0.00 -1.26 -4.79 105.19 97.67 2ctt n GLY 89 Ca -0.17 0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.99 1.79 -0.07 4.61 0.00 -1.22 -4.93 120.51 116.71 2ctt n ALA 90 Ca -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2ctt n ALA 90 Cb 0.60 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.26 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 2.87 0.67 3.13 0.00 0.00 -1.26 -4.97 105.19 105.64 2ctt n GLY 91 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2ctt n GLY 91 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ctt s GLN 92 N -0.77 0.73 0.29 1.61 2.00 -1.26 -3.30 119.66 118.96 2ctt s GLN 92 Ca 0.00 -1.20 -0.14 0.00 -2.00 0.00 0.00 55.36 52.02 2ctt s GLN 92 Cb 0.00 -0.12 0.05 0.00 0.80 0.00 0.00 33.01 33.74 2ctt s GLN 92 CO 0.00 -0.03 0.72 0.00 -0.50 0.00 0.00 175.29 175.48 2ctt n ALA 93 N 0.26 -1.70 -3.14 1.58 0.00 0.85 -4.56 120.51 113.80 2ctt n ALA 93 Ca -0.14 -1.03 -0.45 0.00 0.00 0.00 0.00 53.44 51.82 2ctt n ALA 93 Cb 0.60 0.77 -0.02 0.00 0.00 0.00 0.00 19.45 20.80 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 -2.07 3.79 -0.63 0.00 0.00 -1.26 -0.20 119.74 119.37 2ctt s LYS 94 Ca 0.15 -2.40 -0.09 0.00 0.00 0.00 0.00 55.97 53.63 2ctt s LYS 94 Cb -0.04 -4.71 0.16 0.00 0.00 0.00 0.00 37.83 33.25 2ctt s LYS 94 CO 0.09 -1.51 0.52 -0.65 0.00 0.00 0.00 175.35 173.80 2ctt s GLN 95 N 0.92 2.89 -1.22 1.78 1.11 -1.26 -4.91 119.66 118.97 2ctt s GLN 95 Ca 0.29 -2.20 -0.11 0.00 0.01 0.00 0.00 55.36 53.35 2ctt s GLN 95 Cb -0.07 -4.06 0.19 0.00 -1.01 0.00 0.00 33.01 28.06 2ctt s GLN 95 CO -0.08 -1.23 1.57 0.36 0.01 0.00 0.00 175.29 175.92 2ctt n LYS 96 N 4.24 3.55 -4.59 2.91 2.85 -1.26 -4.58 118.16 121.28 2ctt n LYS 96 Ca 0.03 -3.84 -0.24 0.00 -1.05 0.00 0.00 58.31 53.21 2ctt n LYS 96 Cb 0.42 -2.92 -0.16 0.00 -0.65 0.00 0.00 35.03 31.72 2ctt n LYS 96 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2ctt s LYS 97 N 0.60 1.47 -1.22 -1.58 2.20 -1.26 -4.81 119.74 115.13 2ctt s LYS 97 Ca 0.40 -0.43 -0.10 0.00 -0.36 0.00 0.00 55.97 55.48 2ctt s LYS 97 Cb 0.01 -1.28 0.10 0.00 -1.51 0.00 0.00 37.83 35.16 2ctt s LYS 97 CO 0.00 0.12 0.25 -2.13 -0.36 0.00 0.00 175.35 173.23 2ctt n ARG 98 N 3.45 -0.86 -0.04 4.03 0.63 -1.26 -4.77 116.66 117.84 2ctt n ARG 98 Ca -0.20 0.08 -0.14 0.00 -0.92 0.00 0.00 57.85 56.67 2ctt n ARG 98 Cb 0.53 -2.97 -0.09 0.00 0.45 0.00 0.00 32.46 30.38 2ctt n ARG 98 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2ctt h SER 99 N -0.74 0.34 -0.15 6.15 0.02 -1.92 -3.49 113.55 113.75 2ctt h SER 99 Ca -0.44 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 59.94 2ctt h SER 99 Cb 0.97 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.41 2ctt h SER 99 CO 0.57 0.85 0.00 0.61 -1.14 0.00 0.00 176.83 177.72 2ctt n GLY 100 N 0.46 0.71 3.64 -3.77 0.00 -1.26 -5.12 105.19 99.84 2ctt n GLY 100 Ca -0.07 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.70 3.90 0.02 1.61 0.04 -1.26 -4.86 135.00 132.74 2ctt s PRO 101 Ca 0.00 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 62.74 2ctt s PRO 101 Cb 0.00 -4.00 -0.01 0.00 0.04 0.00 0.00 34.50 30.52 2ctt s PRO 101 CO 0.00 -1.17 -0.08 0.45 0.04 0.00 0.00 177.00 176.24 2ctt n SER 102 N 8.06 1.17 -4.71 6.66 2.88 -1.26 -5.09 113.62 121.33 2ctt n SER 102 Ca 0.18 0.17 -0.24 0.00 -1.33 0.00 0.00 58.87 57.65 2ctt n SER 102 Cb 0.45 -0.41 -0.07 0.00 -0.75 0.00 0.00 64.21 63.43 2ctt n SER 102 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ctt s SER 103 N -5.81 4.48 0.00 -3.46 1.04 -1.26 -5.30 113.70 103.40 2ctt s SER 103 Ca -0.07 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.46 2ctt s SER 103 Cb 0.01 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.52 2ctt s SER 103 CO 0.10 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.59