#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfb s ILE 3 N 0.00 1.28 0.80 2.28 -4.36 -0.78 -5.01 121.20 115.40 2dfb s ILE 3 Ca 0.00 -1.87 -0.12 0.00 -0.26 0.00 0.00 60.65 58.40 2dfb s ILE 3 Cb 0.00 -1.67 0.07 0.00 1.25 0.00 0.00 42.46 42.11 2dfb s ILE 3 CO 0.00 -0.56 1.14 0.00 0.24 0.00 0.00 174.94 175.76 2dfb s GLN 4 N -3.13 2.09 0.35 0.37 0.00 -1.26 -4.44 119.66 113.64 2dfb s GLN 4 Ca 0.12 0.31 -0.26 0.00 -0.00 0.00 0.00 55.36 55.53 2dfb s GLN 4 Cb -0.02 -1.95 -0.13 0.00 0.00 0.00 0.00 33.01 30.92 2dfb s GLN 4 CO 0.02 -1.54 1.01 -2.30 0.00 0.00 0.00 175.29 172.48 2dfb n PRO 5 N -3.32 1.40 -3.47 9.60 -0.02 -1.26 -4.93 135.00 132.99 2dfb n PRO 5 Ca 0.07 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2dfb n PRO 5 Cb 0.59 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2dfb n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dfb n GLY 6 N 1.19 -1.79 3.23 -1.23 0.00 -0.03 -5.00 105.19 101.56 2dfb n GLY 6 Ca 0.09 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 2dfb n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dfb s THR 7 N -2.28 0.78 -3.56 2.61 -4.23 -1.26 -1.13 115.64 106.57 2dfb s THR 7 Ca 0.00 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 2dfb s THR 7 Cb 0.00 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.87 2dfb s THR 7 CO 0.00 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 2dfb n GLY 8 N -0.19 -0.60 3.40 3.99 0.00 -0.89 -4.99 105.19 105.90 2dfb n GLY 8 Ca -0.08 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 2dfb n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dfb s TYR 9 N -3.00 2.51 -0.10 1.61 2.02 -1.26 -0.60 117.35 118.53 2dfb s TYR 9 Ca 0.00 -0.30 -0.04 0.00 -0.37 0.00 0.00 57.07 56.36 2dfb s TYR 9 Cb 0.00 -1.55 0.05 0.00 -0.40 0.00 0.00 41.96 40.07 2dfb s TYR 9 CO 0.00 0.09 0.20 1.21 -1.57 0.00 0.00 175.55 175.48 2dfb s ASN 10 N -0.76 0.62 -1.66 2.29 3.84 0.34 -4.87 114.94 114.75 2dfb s ASN 10 Ca 0.11 0.42 -0.11 0.00 0.21 0.00 0.00 52.86 53.49 2dfb s ASN 10 Cb -0.10 0.44 0.11 0.00 -0.55 0.00 0.00 41.25 41.14 2dfb s ASN 10 CO 0.00 -0.25 0.43 0.59 -2.79 0.00 0.00 177.10 175.09 2dfb n ASN 11 N 5.33 -1.05 0.00 -4.21 3.02 -1.26 -1.70 115.26 115.39 2dfb n ASN 11 Ca -0.05 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 2dfb n ASN 11 Cb 0.50 -2.12 0.00 0.00 -0.61 0.00 0.00 39.78 37.54 2dfb n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dfb n GLY 12 N -1.77 1.41 3.77 7.41 0.00 -1.26 -4.49 105.19 110.25 2dfb n GLY 12 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2dfb n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dfb s TYR 13 N -3.50 3.36 0.46 1.61 1.51 -0.69 -5.06 117.35 115.04 2dfb s TYR 13 Ca 0.00 0.34 -0.24 0.00 -1.01 0.00 0.00 57.07 56.15 2dfb s TYR 13 Cb 0.00 -1.87 -0.07 0.00 -0.11 0.00 0.00 41.96 39.91 2dfb s TYR 13 CO 0.00 0.58 1.34 0.12 -1.11 0.00 0.00 175.55 176.48 2dfb s PHE 14 N -0.90 2.57 0.08 2.71 5.36 -0.67 -0.51 117.98 126.63 2dfb s PHE 14 Ca 0.14 1.37 0.04 0.00 -0.96 0.00 0.00 56.93 57.51 2dfb s PHE 14 Cb -0.12 -3.75 -0.03 0.00 -0.34 0.00 0.00 43.02 38.78 2dfb s PHE 14 CO 0.03 -2.51 -0.12 1.52 -1.46 0.00 0.00 175.22 172.69 2dfb s TYR 15 N -1.28 1.10 -0.03 10.12 -0.85 0.23 -0.41 117.35 126.23 2dfb s TYR 15 Ca 0.63 -0.56 0.01 0.00 -0.52 0.00 0.00 57.07 56.62 2dfb s TYR 15 Cb -0.39 -0.61 0.02 0.00 0.38 0.00 0.00 41.96 41.36 2dfb s TYR 15 CO 0.49 0.02 -0.02 0.45 -1.52 0.00 0.00 175.55 174.98 2dfb s SER 16 N -2.11 0.63 -0.10 -0.18 0.15 -0.65 -2.09 113.70 109.35 2dfb s SER 16 Ca 0.01 -0.07 -0.00 0.00 0.70 0.00 0.00 55.95 56.59 2dfb s SER 16 Cb -0.06 -0.30 0.02 0.00 -1.71 0.00 0.00 66.02 63.98 2dfb s SER 16 CO 0.01 -0.06 -0.06 -0.47 1.20 0.00 0.00 173.24 173.86 2dfb s TYR 17 N 0.84 1.26 0.00 3.44 5.04 -0.29 -1.47 117.35 126.17 2dfb s TYR 17 Ca -0.10 -0.57 0.04 0.00 -2.44 0.00 0.00 57.07 54.00 2dfb s TYR 17 Cb -0.13 -1.10 -0.01 0.00 0.35 0.00 0.00 41.96 41.07 2dfb s TYR 17 CO -0.01 -0.44 -0.11 -0.46 -1.34 0.00 0.00 175.55 173.19 2dfb s TRP 18 N 1.66 1.00 0.16 4.97 -0.00 -0.06 -0.85 118.94 125.83 2dfb s TRP 18 Ca 0.03 -0.23 -0.04 0.00 -0.00 0.00 0.00 56.10 55.86 2dfb s TRP 18 Cb -0.13 -0.63 -0.03 0.00 -0.00 0.00 0.00 33.47 32.68 2dfb s TRP 18 CO -0.06 -0.01 0.16 0.54 -0.00 0.00 0.00 176.95 177.57 2dfb s ASN 19 N -0.47 0.18 0.00 5.86 2.20 -1.26 -0.93 114.94 120.52 2dfb s ASN 19 Ca 0.03 -1.13 0.12 0.00 -0.94 0.00 0.00 52.86 50.94 2dfb s ASN 19 Cb -0.05 0.37 0.36 0.00 -2.00 0.00 0.00 41.25 39.93 2dfb s ASN 19 CO -0.00 -0.82 1.30 -0.90 -2.94 0.00 0.00 177.10 173.74 2dfb n ASP 20 N -0.18 2.12 0.00 3.54 5.75 -0.53 -4.93 116.55 122.33 2dfb n ASP 20 Ca -0.04 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 2dfb n ASP 20 Cb 0.64 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 2dfb n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dfb n GLY 21 N 1.13 0.64 0.25 6.12 0.00 -1.26 -4.93 105.19 107.14 2dfb n GLY 21 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 2dfb n GLY 21 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2dfb h HIS 22 N 0.00 0.90 0.00 1.61 6.17 -1.91 -3.50 115.15 118.42 2dfb h HIS 22 Ca 0.00 -0.27 0.00 0.00 0.71 0.00 0.00 60.37 60.81 2dfb h HIS 22 Cb 0.01 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 29.75 2dfb h HIS 22 CO 0.00 1.03 0.00 0.41 0.71 0.00 0.00 177.93 180.08 2dfb n GLY 23 N 0.07 1.36 1.64 5.26 0.00 -1.26 -4.86 105.19 107.40 2dfb n GLY 23 Ca -0.02 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.84 2dfb n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dfb n GLY 24 N -0.15 0.51 3.03 -0.02 0.00 -1.26 -3.16 105.19 104.14 2dfb n GLY 24 Ca 0.00 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 2dfb n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dfb s VAL 25 N -2.00 0.84 -0.17 1.61 1.01 -1.26 -0.39 120.40 120.04 2dfb s VAL 25 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2dfb s VAL 25 Cb 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.68 2dfb s VAL 25 CO 0.00 0.25 -0.13 -0.89 0.00 0.00 0.00 175.10 174.33 2dfb s THR 26 N -0.03 1.66 -0.10 3.92 2.01 0.56 -5.00 115.64 118.65 2dfb s THR 26 Ca 0.00 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.20 2dfb s THR 26 Cb -0.07 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 2dfb s THR 26 CO 0.00 0.36 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.71 2dfb s TYR 27 N 1.43 2.83 -0.08 4.92 6.14 -1.26 -1.18 117.35 130.16 2dfb s TYR 27 Ca 0.03 -0.35 -0.01 0.00 0.64 0.00 0.00 57.07 57.37 2dfb s TYR 27 Cb -0.14 -1.78 0.03 0.00 0.42 0.00 0.00 41.96 40.49 2dfb s TYR 27 CO -0.10 0.02 0.00 0.99 0.64 0.00 0.00 175.55 177.10 2dfb s THR 28 N -0.14 0.40 0.26 4.34 2.01 -0.45 -1.87 115.64 120.18 2dfb s THR 28 Ca 0.00 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 2dfb s THR 28 Cb -0.13 -0.57 -0.09 0.00 0.01 0.00 0.00 72.50 71.72 2dfb s THR 28 CO 0.03 0.24 1.04 0.20 -0.69 0.00 0.00 174.62 175.44 2dfb s ASN 29 N 1.96 7.42 0.27 3.53 0.01 -1.26 -0.77 114.94 126.10 2dfb s ASN 29 Ca 0.05 2.13 0.01 0.00 -0.71 0.00 0.00 52.86 54.34 2dfb s ASN 29 Cb -0.12 -2.62 0.01 0.00 0.41 0.00 0.00 41.25 38.93 2dfb s ASN 29 CO -0.05 -0.03 0.08 0.61 -1.51 0.00 0.00 177.10 176.20 2dfb n GLY 30 N 1.36 3.47 3.74 0.66 0.00 0.50 -4.94 105.19 109.99 2dfb n GLY 30 Ca -0.01 -2.27 -0.37 0.00 0.00 0.00 0.00 46.02 43.37 2dfb n GLY 30 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2dfb s PRO 31 N -3.02 2.68 5.68 1.61 0.02 -1.26 -4.29 135.00 136.42 2dfb s PRO 31 Ca 0.06 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.08 2dfb s PRO 31 Cb -0.01 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.64 2dfb s PRO 31 CO 0.04 -1.48 0.00 0.41 -0.33 0.00 0.00 177.00 175.64 2dfb n GLY 32 N 0.79 3.29 0.67 0.52 0.00 -1.26 -1.34 105.19 107.84 2dfb n GLY 32 Ca 0.15 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.13 2dfb n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dfb n GLY 33 N 0.00 0.95 3.84 -0.02 0.00 -1.26 -4.56 105.19 104.15 2dfb n GLY 33 Ca 0.00 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 2dfb n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dfb s GLN 34 N -1.63 3.95 0.07 1.61 0.74 -0.45 -0.80 119.66 123.15 2dfb s GLN 34 Ca 0.17 0.44 -0.08 0.00 0.05 0.00 0.00 55.36 55.94 2dfb s GLN 34 Cb 0.10 -3.03 -0.00 0.00 1.10 0.00 0.00 33.01 31.19 2dfb s GLN 34 CO 0.08 0.55 0.17 -0.59 -0.55 0.00 0.00 175.29 174.95 2dfb s PHE 35 N -1.35 0.16 0.08 1.67 -0.71 -0.19 -0.37 117.98 117.27 2dfb s PHE 35 Ca 0.34 -0.55 0.04 0.00 -1.04 0.00 0.00 56.93 55.71 2dfb s PHE 35 Cb -0.16 -0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.54 2dfb s PHE 35 CO 0.18 -0.50 -0.10 -1.54 -1.34 0.00 0.00 175.22 171.92 2dfb s SER 36 N -2.67 1.40 -0.02 1.98 1.04 0.05 -1.06 113.70 114.43 2dfb s SER 36 Ca 0.03 -0.75 0.01 0.00 0.48 0.00 0.00 55.95 55.72 2dfb s SER 36 Cb 0.04 0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.17 2dfb s SER 36 CO -0.09 -0.23 -0.04 -0.69 0.98 0.00 0.00 173.24 173.17 2dfb s VAL 37 N -2.11 0.43 -0.06 5.02 1.01 -0.54 -1.34 120.40 122.81 2dfb s VAL 37 Ca 0.02 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2dfb s VAL 37 Cb -0.05 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.91 2dfb s VAL 37 CO 0.00 0.17 -0.13 0.21 0.00 0.00 0.00 175.10 175.35 2dfb s ASN 38 N 0.46 1.84 0.02 3.32 3.04 -0.32 -0.66 114.94 122.64 2dfb s ASN 38 Ca -0.05 -0.31 -0.05 0.00 0.04 0.00 0.00 52.86 52.49 2dfb s ASN 38 Cb -0.09 -0.80 -0.01 0.00 -1.54 0.00 0.00 41.25 38.81 2dfb s ASN 38 CO -0.00 0.05 0.08 -1.66 -3.04 0.00 0.00 177.10 172.53 2dfb s TRP 39 N 0.56 0.17 -0.23 0.43 -2.14 -0.10 -0.32 118.94 117.30 2dfb s TRP 39 Ca -0.13 -0.40 -0.03 0.00 2.66 0.00 0.00 56.10 58.20 2dfb s TRP 39 Cb -0.15 -0.13 0.12 0.00 -3.10 0.00 0.00 33.47 30.22 2dfb s TRP 39 CO 0.04 -0.30 0.36 0.45 -2.66 0.00 0.00 176.95 174.84 2dfb s SER 40 N -1.73 0.33 -1.27 -2.66 0.15 0.48 -0.78 113.70 108.20 2dfb s SER 40 Ca -0.11 0.24 -0.08 0.00 0.70 0.00 0.00 55.95 56.70 2dfb s SER 40 Cb -0.05 1.05 -0.00 0.00 -1.71 0.00 0.00 66.02 65.30 2dfb s SER 40 CO -0.02 -0.30 0.63 0.59 1.20 0.00 0.00 173.24 175.35 2dfb n ASN 41 N 5.36 -2.55 -3.84 5.45 3.02 -0.79 -4.46 115.26 117.45 2dfb n ASN 41 Ca -0.04 -0.97 -0.30 0.00 -0.03 0.00 0.00 54.58 53.24 2dfb n ASN 41 Cb 0.50 -3.41 0.23 0.00 -0.61 0.00 0.00 39.78 36.49 2dfb n ASN 41 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2dfb s SER 42 N -4.00 1.26 0.00 6.41 1.04 -0.21 -4.56 113.70 113.63 2dfb s SER 42 Ca 0.20 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.17 2dfb s SER 42 Cb -0.07 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.32 2dfb s SER 42 CO 0.86 -3.90 0.00 0.61 0.98 0.00 0.00 173.24 171.79 2dfb n GLY 43 N -1.47 1.84 3.75 7.32 0.00 -1.19 -3.71 105.19 111.73 2dfb n GLY 43 Ca 0.14 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 2dfb n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dfb s ASN 44 N -1.00 6.83 0.11 1.61 3.04 -1.26 -1.05 114.94 123.22 2dfb s ASN 44 Ca 0.00 0.99 -0.10 0.00 0.04 0.00 0.00 52.86 53.79 2dfb s ASN 44 Cb 0.00 -2.32 0.00 0.00 -1.54 0.00 0.00 41.25 37.39 2dfb s ASN 44 CO 0.00 0.06 0.24 0.72 -3.04 0.00 0.00 177.10 175.08 2dfb s PHE 45 N 0.19 0.14 -0.10 0.43 -0.71 -0.61 -1.45 117.98 115.86 2dfb s PHE 45 Ca 0.29 -0.54 -0.05 0.00 -1.04 0.00 0.00 56.93 55.59 2dfb s PHE 45 Cb -0.17 -0.01 0.05 0.00 -1.21 0.00 0.00 43.02 41.69 2dfb s PHE 45 CO 0.14 -0.60 0.23 0.08 -1.34 0.00 0.00 175.22 173.72 2dfb s VAL 46 N -3.87 -0.16 -0.01 -2.49 1.01 -0.10 -1.33 120.40 113.45 2dfb s VAL 46 Ca 0.07 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 2dfb s VAL 46 Cb 0.04 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 36.07 2dfb s VAL 46 CO -0.09 0.09 0.20 -0.83 0.00 0.00 0.00 175.10 174.47 2dfb s GLY 47 N 1.64 -0.04 0.00 4.51 0.00 -0.43 -0.88 107.32 112.12 2dfb s GLY 47 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.75 2dfb s GLY 47 CO -0.08 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.56 2dfb n GLY 48 N 1.51 -1.47 3.41 0.20 0.00 -0.54 -0.98 105.19 107.31 2dfb n GLY 48 Ca -0.22 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.47 2dfb n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dfb s LYS 49 N -1.29 1.47 0.00 1.61 1.02 -1.13 -1.64 119.74 119.77 2dfb s LYS 49 Ca 0.00 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.51 2dfb s LYS 49 Cb 0.00 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 2dfb s LYS 49 CO 0.00 0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 2dfb n GLY 50 N 0.36 -0.40 3.00 -3.33 0.00 0.45 -0.96 105.19 104.31 2dfb n GLY 50 Ca -0.13 0.42 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 2dfb n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dfb s TRP 51 N 0.00 0.22 -0.22 1.61 0.51 0.05 -1.67 118.94 119.43 2dfb s TRP 51 Ca 0.00 -0.45 -0.04 0.00 -2.12 0.00 0.00 56.10 53.48 2dfb s TRP 51 Cb 0.00 -0.16 0.08 0.00 -0.81 0.00 0.00 33.47 32.57 2dfb s TRP 51 CO 0.00 -0.20 0.10 -1.14 -0.51 0.00 0.00 176.95 175.20 2dfb s GLN 52 N -1.43 0.21 0.63 4.98 2.00 -1.26 -1.15 119.66 123.65 2dfb s GLN 52 Ca -0.16 -0.34 -0.10 0.00 -2.00 0.00 0.00 55.36 52.77 2dfb s GLN 52 Cb -0.09 -1.62 -0.01 0.00 0.80 0.00 0.00 33.01 32.08 2dfb s GLN 52 CO -0.01 -0.81 1.01 -1.25 -0.50 0.00 0.00 175.29 173.73 2dfb s PRO 53 N 2.07 3.16 1.15 1.67 0.04 -1.26 -5.03 135.00 136.79 2dfb s PRO 53 Ca 0.05 0.43 -0.16 0.00 0.04 0.00 0.00 61.00 61.36 2dfb s PRO 53 Cb -0.16 -2.12 0.26 0.00 0.04 0.00 0.00 34.50 32.51 2dfb s PRO 53 CO -0.20 -0.74 1.07 0.20 0.04 0.00 0.00 177.00 177.37 2dfb s GLY 54 N -4.27 1.55 0.26 0.56 0.00 0.60 -4.85 107.32 101.17 2dfb s GLY 54 Ca 0.55 -0.60 0.07 0.00 0.00 0.00 0.00 44.72 44.73 2dfb s GLY 54 CO 0.50 0.17 -0.07 -0.51 0.00 0.00 0.00 173.10 173.19 2dfb s THR 55 N -2.84 1.60 -2.18 0.90 -4.23 -1.26 -4.73 115.64 102.90 2dfb s THR 55 Ca 0.68 -2.13 0.18 0.00 -1.18 0.00 0.00 61.69 59.23 2dfb s THR 55 Cb -0.16 -2.35 0.42 0.00 1.34 0.00 0.00 72.50 71.75 2dfb s THR 55 CO 0.58 -0.37 1.43 0.29 -0.54 0.00 0.00 174.62 176.01 2dfb n LYS 56 N -0.52 1.94 -0.58 3.99 5.02 -1.26 -4.05 118.16 122.69 2dfb n LYS 56 Ca -0.06 -1.43 0.00 0.00 -2.02 0.00 0.00 58.31 54.80 2dfb n LYS 56 Cb 0.63 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 2dfb n LYS 56 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2dfb n ASN 57 N 0.65 0.07 -4.77 4.39 6.94 -1.26 -3.69 115.26 117.58 2dfb n ASN 57 Ca 0.16 -1.89 -0.40 0.00 -0.02 0.00 0.00 54.58 52.43 2dfb n ASN 57 Cb 0.38 -0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 37.60 2dfb n ASN 57 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2dfb s LYS 58 N 0.00 4.16 -0.37 -3.83 2.20 -1.26 -4.64 119.74 115.99 2dfb s LYS 58 Ca 0.03 2.08 -0.13 0.00 -0.36 0.00 0.00 55.97 57.59 2dfb s LYS 58 Cb 0.03 -2.87 0.01 0.00 -1.51 0.00 0.00 37.83 33.49 2dfb s LYS 58 CO -0.01 -0.31 0.25 0.08 -0.36 0.00 0.00 175.35 175.00 2dfb s VAL 59 N -1.25 5.04 -0.22 4.02 1.01 -1.26 -1.56 120.40 126.18 2dfb s VAL 59 Ca 0.53 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 2dfb s VAL 59 Cb -0.37 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2dfb s VAL 59 CO 0.47 -0.17 0.06 -0.63 0.00 0.00 0.00 175.10 174.83 2dfb s ILE 60 N 1.66 4.44 -0.07 2.22 1.01 -0.17 -4.91 121.20 125.38 2dfb s ILE 60 Ca 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 2dfb s ILE 60 Cb -0.18 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 2dfb s ILE 60 CO 0.09 0.39 0.08 0.20 0.00 0.00 0.00 174.94 175.70 2dfb s ASN 61 N 1.06 5.79 0.00 3.58 0.01 -0.03 -0.22 114.94 125.14 2dfb s ASN 61 Ca 0.04 0.26 -0.09 0.00 -0.71 0.00 0.00 52.86 52.35 2dfb s ASN 61 Cb -0.14 -1.73 0.01 0.00 0.41 0.00 0.00 41.25 39.79 2dfb s ASN 61 CO 0.03 0.35 0.18 0.72 -1.51 0.00 0.00 177.10 176.87 2dfb s PHE 62 N -1.05 -0.01 -0.15 2.20 -0.71 -0.44 -1.30 117.98 116.52 2dfb s PHE 62 Ca 0.17 -0.04 -0.17 0.00 -1.04 0.00 0.00 56.93 55.86 2dfb s PHE 62 Cb -0.12 -0.01 0.04 0.00 -1.21 0.00 0.00 43.02 41.73 2dfb s PHE 62 CO 0.07 -0.32 0.46 -1.54 -1.34 0.00 0.00 175.22 172.55 2dfb s SER 63 N -1.40 -0.46 0.00 1.98 1.04 -0.55 -0.93 113.70 113.37 2dfb s SER 63 Ca -0.14 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2dfb s SER 63 Cb -0.07 0.85 0.00 0.00 0.10 0.00 0.00 66.02 66.90 2dfb s SER 63 CO 0.02 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2dfb n GLY 64 N 2.55 -0.19 3.11 7.32 0.00 -1.10 -0.63 105.19 116.25 2dfb n GLY 64 Ca -0.15 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.89 2dfb n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dfb s SER 65 N -4.00 1.40 -0.22 1.61 0.01 -0.22 -4.61 113.70 107.67 2dfb s SER 65 Ca 0.00 -0.46 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 2dfb s SER 65 Cb 0.00 -0.07 0.11 0.00 0.21 0.00 0.00 66.02 66.28 2dfb s SER 65 CO 0.00 -0.03 0.31 -0.47 0.41 0.00 0.00 173.24 173.47 2dfb s TYR 66 N -0.94 -0.59 -0.51 2.43 5.04 -1.26 -1.03 117.35 120.49 2dfb s TYR 66 Ca -0.01 0.65 0.07 0.00 -2.44 0.00 0.00 57.07 55.33 2dfb s TYR 66 Cb -0.08 -0.11 0.24 0.00 0.35 0.00 0.00 41.96 42.35 2dfb s TYR 66 CO 0.01 -0.64 0.58 0.09 -1.34 0.00 0.00 175.55 174.26 2dfb n ASN 67 N 5.35 1.66 -4.80 4.32 3.02 0.58 -5.01 115.26 120.37 2dfb n ASN 67 Ca -0.05 -2.98 -0.32 0.00 -0.03 0.00 0.00 54.58 51.20 2dfb n ASN 67 Cb 0.50 -0.65 0.02 0.00 -0.61 0.00 0.00 39.78 39.03 2dfb n ASN 67 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dfb s PRO 68 N -1.56 3.27 -0.43 3.52 0.04 -1.26 -1.96 135.00 136.62 2dfb s PRO 68 Ca 0.36 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.60 2dfb s PRO 68 Cb 0.13 -2.03 0.15 0.00 0.04 0.00 0.00 34.50 32.79 2dfb s PRO 68 CO -0.09 -0.85 0.27 1.21 0.04 0.00 0.00 177.00 177.58 2dfb s ASN 69 N -2.90 3.17 0.00 6.66 2.47 0.86 -4.93 114.94 120.27 2dfb s ASN 69 Ca 0.63 -2.68 0.00 0.00 0.42 0.00 0.00 52.86 51.23 2dfb s ASN 69 Cb -0.16 -0.80 0.00 0.00 -1.45 0.00 0.00 41.25 38.84 2dfb s ASN 69 CO 0.39 -0.25 0.00 0.61 -3.72 0.00 0.00 177.10 174.13 2dfb n GLY 70 N 3.43 0.30 3.61 1.21 0.00 -1.26 -2.08 105.19 110.40 2dfb n GLY 70 Ca 0.14 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 2dfb n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dfb s ASN 71 N -4.00 6.72 0.09 1.61 3.84 -1.26 -1.46 114.94 120.48 2dfb s ASN 71 Ca 0.00 0.64 -0.25 0.00 0.21 0.00 0.00 52.86 53.46 2dfb s ASN 71 Cb 0.00 -2.51 0.07 0.00 -0.55 0.00 0.00 41.25 38.26 2dfb s ASN 71 CO 0.00 -0.98 0.61 -0.55 -2.79 0.00 0.00 177.10 173.39 2dfb s SER 72 N 2.00 -0.58 0.12 -4.21 0.15 -1.26 -1.48 113.70 108.44 2dfb s SER 72 Ca 0.43 0.21 0.07 0.00 0.70 0.00 0.00 55.95 57.35 2dfb s SER 72 Cb -0.11 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 64.74 2dfb s SER 72 CO 0.22 -0.85 -0.16 -0.31 1.20 0.00 0.00 173.24 173.34 2dfb s TYR 73 N -2.95 1.51 -0.17 3.44 2.02 0.03 -0.96 117.35 120.27 2dfb s TYR 73 Ca -0.03 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.18 2dfb s TYR 73 Cb -0.01 -0.80 0.02 0.00 -0.40 0.00 0.00 41.96 40.78 2dfb s TYR 73 CO -0.06 0.17 -0.16 -1.17 -1.57 0.00 0.00 175.55 172.77 2dfb s LEU 74 N -2.29 1.94 0.06 -1.29 2.96 -0.19 -1.21 118.68 118.66 2dfb s LEU 74 Ca 0.08 -0.61 -0.10 0.00 -0.22 0.00 0.00 54.13 53.28 2dfb s LEU 74 Cb -0.07 -1.30 0.01 0.00 0.50 0.00 0.00 46.19 45.33 2dfb s LEU 74 CO 0.04 -0.05 0.22 -0.44 -1.32 0.00 0.00 176.35 174.80 2dfb s SER 75 N 1.40 0.02 -0.06 3.68 0.01 -0.68 -0.75 113.70 117.33 2dfb s SER 75 Ca 0.04 -0.41 -0.30 0.00 1.31 0.00 0.00 55.95 56.59 2dfb s SER 75 Cb -0.13 0.32 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 2dfb s SER 75 CO -0.11 -0.63 1.13 -0.69 0.41 0.00 0.00 173.24 173.35 2dfb s VAL 76 N -2.97 4.43 0.00 3.43 1.01 -0.05 -0.63 120.40 125.62 2dfb s VAL 76 Ca -0.02 1.74 0.01 0.00 0.00 0.00 0.00 61.98 63.71 2dfb s VAL 76 Cb 0.01 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 2dfb s VAL 76 CO -0.06 0.02 -0.03 -0.47 0.00 0.00 0.00 175.10 174.56 2dfb s TYR 77 N 1.99 0.26 0.00 5.22 5.04 0.33 -0.35 117.35 129.84 2dfb s TYR 77 Ca 0.54 -0.08 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 2dfb s TYR 77 Cb -0.23 -0.16 0.00 0.00 0.35 0.00 0.00 41.96 41.92 2dfb s TYR 77 CO 0.22 -0.01 0.00 0.41 -1.34 0.00 0.00 175.55 174.82 2dfb n GLY 78 N 2.91 0.73 3.18 8.97 0.00 -0.77 -0.71 105.19 119.49 2dfb n GLY 78 Ca -0.13 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 2dfb n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dfb s TRP 79 N -3.16 1.06 0.30 1.61 0.52 -0.97 -0.74 118.94 117.56 2dfb s TRP 79 Ca 0.00 -0.66 0.11 0.00 0.02 0.00 0.00 56.10 55.57 2dfb s TRP 79 Cb 0.00 -0.58 -0.05 0.00 -1.15 0.00 0.00 33.47 31.69 2dfb s TRP 79 CO 0.00 -0.00 -0.13 -1.54 0.02 0.00 0.00 176.95 175.30 2dfb s SER 80 N -2.46 3.80 0.05 2.95 1.04 0.02 -0.65 113.70 118.43 2dfb s SER 80 Ca 0.06 -1.02 0.05 0.00 0.48 0.00 0.00 55.95 55.52 2dfb s SER 80 Cb -0.03 -0.40 -0.04 0.00 0.10 0.00 0.00 66.02 65.66 2dfb s SER 80 CO -0.00 -0.05 -0.10 -0.13 0.98 0.00 0.00 173.24 173.94 2dfb s ARG 81 N -3.57 2.32 -1.01 4.02 0.52 0.35 -1.62 118.95 119.97 2dfb s ARG 81 Ca 0.31 -0.87 -0.11 0.00 -0.52 0.00 0.00 55.73 54.54 2dfb s ARG 81 Cb -0.03 -2.38 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 2dfb s ARG 81 CO 0.16 0.56 0.80 -1.71 0.02 0.00 0.00 175.30 175.13 2dfb n ASN 82 N 1.24 -6.18 -4.84 0.23 5.15 -1.26 -0.50 115.26 109.10 2dfb n ASN 82 Ca -0.15 -0.74 -0.32 0.00 -0.60 0.00 0.00 54.58 52.77 2dfb n ASN 82 Cb 0.52 -4.17 -0.06 0.00 -0.53 0.00 0.00 39.78 35.54 2dfb n ASN 82 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2dfb s PRO 83 N -4.85 4.05 -0.12 1.20 0.04 -1.26 -4.33 135.00 129.73 2dfb s PRO 83 Ca 0.35 0.85 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 2dfb s PRO 83 Cb -0.09 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2dfb s PRO 83 CO 0.81 0.00 1.58 -1.17 0.04 0.00 0.00 177.00 178.25 2dfb s LEU 84 N -3.32 4.18 -0.01 -3.56 2.96 -1.26 -3.84 118.68 113.83 2dfb s LEU 84 Ca 0.57 1.97 -0.01 0.00 -0.22 0.00 0.00 54.13 56.45 2dfb s LEU 84 Cb -0.10 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.07 2dfb s LEU 84 CO 0.19 -0.99 0.03 -0.63 -1.32 0.00 0.00 176.35 173.63 2dfb s ILE 85 N 4.28 -0.01 -0.21 6.68 -1.09 -0.64 -4.05 121.20 126.16 2dfb s ILE 85 Ca 0.70 0.04 -0.06 0.00 -2.23 0.00 0.00 60.65 59.09 2dfb s ILE 85 Cb -0.29 -0.05 -0.03 0.00 -1.58 0.00 0.00 42.46 40.51 2dfb s ILE 85 CO 0.27 0.02 0.04 -0.70 -1.23 0.00 0.00 174.94 173.33 2dfb s GLU 86 N 0.21 3.70 0.18 2.79 2.12 -0.98 -0.80 118.70 125.92 2dfb s GLU 86 Ca -0.02 -0.47 0.06 0.00 0.36 0.00 0.00 54.97 54.91 2dfb s GLU 86 Cb -0.02 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 2dfb s GLU 86 CO -0.01 -0.00 -0.13 1.52 -0.54 0.00 0.00 175.26 176.10 2dfb s TYR 87 N 1.09 1.53 -0.07 5.30 -0.85 0.08 -2.04 117.35 122.40 2dfb s TYR 87 Ca 0.03 -0.64 -0.04 0.00 -0.52 0.00 0.00 57.07 55.90 2dfb s TYR 87 Cb -0.14 -0.74 0.03 0.00 0.38 0.00 0.00 41.96 41.49 2dfb s TYR 87 CO 0.02 0.25 0.17 0.71 -1.52 0.00 0.00 175.55 175.18 2dfb s TYR 88 N -3.07 -0.20 -0.41 -3.49 1.51 -0.21 -1.85 117.35 109.64 2dfb s TYR 88 Ca 0.20 0.51 0.01 0.00 -1.01 0.00 0.00 57.07 56.78 2dfb s TYR 88 Cb 0.00 -0.01 0.11 0.00 -0.11 0.00 0.00 41.96 41.96 2dfb s TYR 88 CO 0.04 -0.15 0.17 0.42 -1.11 0.00 0.00 175.55 174.93 2dfb s ILE 89 N 0.77 2.85 -0.37 2.71 1.01 0.53 -1.00 121.20 127.70 2dfb s ILE 89 Ca -0.06 -2.38 -0.20 0.00 0.00 0.00 0.00 60.65 58.01 2dfb s ILE 89 Cb -0.07 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.40 2dfb s ILE 89 CO -0.04 -0.68 0.62 -0.69 0.00 0.00 0.00 174.94 174.15 2dfb s VAL 90 N 0.79 4.89 -0.12 2.92 1.01 0.36 -0.87 120.40 129.38 2dfb s VAL 90 Ca 0.11 0.47 0.16 0.00 0.00 0.00 0.00 61.98 62.72 2dfb s VAL 90 Cb -0.21 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 2dfb s VAL 90 CO -0.05 -0.35 0.97 -0.33 0.00 0.00 0.00 175.10 175.34 2dfb h GLU 91 N 8.53 0.00 -2.42 2.72 4.39 -1.25 -0.31 114.58 126.24 2dfb h GLU 91 Ca -0.26 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.46 2dfb h GLU 91 Cb 1.11 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.60 2dfb h GLU 91 CO 0.84 0.36 0.32 1.21 -1.16 0.00 0.00 179.01 180.58 2dfb s ASN 92 N -5.96 -0.51 0.25 1.42 3.84 -1.05 -1.78 114.94 111.15 2dfb s ASN 92 Ca -0.01 0.20 -0.15 0.00 0.21 0.00 0.00 52.86 53.10 2dfb s ASN 92 Cb 0.08 0.49 0.00 0.00 -0.55 0.00 0.00 41.25 41.28 2dfb s ASN 92 CO 0.80 -0.72 0.55 0.72 -2.79 0.00 0.00 177.10 175.65 2dfb s PHE 93 N -2.73 0.17 0.00 0.43 -0.12 -1.26 -1.03 117.98 113.44 2dfb s PHE 93 Ca -0.01 -0.56 0.00 0.00 -0.05 0.00 0.00 56.93 56.31 2dfb s PHE 93 Cb -0.01 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 2dfb s PHE 93 CO -0.05 -1.06 0.00 0.41 -0.05 0.00 0.00 175.22 174.47 2dfb n GLY 94 N -0.40 0.55 0.09 1.99 0.00 -0.14 -4.91 105.19 102.37 2dfb n GLY 94 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 2dfb n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dfb n THR 95 N 0.00 0.57 -3.98 2.61 -2.24 -0.53 -4.73 114.28 105.97 2dfb n THR 95 Ca 0.00 -0.09 -0.27 0.00 -2.27 0.00 0.00 64.05 61.42 2dfb n THR 95 Cb 0.00 -0.73 -0.17 0.00 -2.10 0.00 0.00 70.33 67.34 2dfb n THR 95 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2dfb s TYR 96 N -3.12 1.65 -0.20 4.78 5.04 -1.26 -4.99 117.35 119.25 2dfb s TYR 96 Ca 0.10 -0.85 -0.29 0.00 -2.44 0.00 0.00 57.07 53.59 2dfb s TYR 96 Cb 0.13 -1.31 -0.02 0.00 0.35 0.00 0.00 41.96 41.11 2dfb s TYR 96 CO 0.52 -0.54 1.37 1.21 -1.34 0.00 0.00 175.55 176.77 2dfb s ASN 97 N 1.58 6.76 0.15 4.32 3.84 -1.26 -4.81 114.94 125.52 2dfb s ASN 97 Ca 0.04 1.61 0.17 0.00 0.21 0.00 0.00 52.86 54.88 2dfb s ASN 97 Cb -0.13 -2.54 0.75 0.00 -0.55 0.00 0.00 41.25 38.79 2dfb s ASN 97 CO -0.08 -0.94 1.52 -0.81 -2.79 0.00 0.00 177.10 174.00 2dfb n PRO 98 N 7.01 0.10 -0.01 0.43 -0.04 -1.26 -1.52 135.00 139.70 2dfb n PRO 98 Ca 0.15 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 2dfb n PRO 98 Cb 0.45 -1.72 0.54 0.00 -0.04 0.00 0.00 33.50 32.73 2dfb n PRO 98 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dfb n SER 99 N -1.90 1.36 -4.69 3.54 3.41 -1.26 -4.89 113.62 109.19 2dfb n SER 99 Ca 0.02 -1.49 -0.44 0.00 -0.26 0.00 0.00 58.87 56.70 2dfb n SER 99 Cb 0.14 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 2dfb n SER 99 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2dfb n THR 100 N 0.07 0.25 0.00 6.66 -1.04 -0.57 -0.93 114.28 118.72 2dfb n THR 100 Ca 0.19 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2dfb n THR 100 Cb 0.32 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 2dfb n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dfb n GLY 101 N 4.01 2.36 3.86 3.41 0.00 -1.26 -5.02 105.19 112.55 2dfb n GLY 101 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2dfb n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dfb s ALA 102 N -2.65 3.33 -0.06 4.61 0.00 -0.10 -5.03 121.76 121.87 2dfb s ALA 102 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 2dfb s ALA 102 Cb 0.00 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 2dfb s ALA 102 CO 0.00 0.18 1.04 0.99 0.00 0.00 0.00 175.76 177.97 2dfb s THR 103 N -2.16 4.67 0.08 0.00 2.01 -1.26 -5.00 115.64 113.98 2dfb s THR 103 Ca 0.53 1.93 -0.30 0.00 0.31 0.00 0.00 61.69 64.16 2dfb s THR 103 Cb -0.10 -4.24 -0.06 0.00 0.01 0.00 0.00 72.50 68.11 2dfb s THR 103 CO 0.24 0.06 1.13 -0.75 -0.69 0.00 0.00 174.62 174.61 2dfb s LYS 104 N 1.69 4.50 -0.03 4.92 2.20 -1.26 -3.97 119.74 127.78 2dfb s LYS 104 Ca 0.51 1.70 0.07 0.00 -0.36 0.00 0.00 55.97 57.89 2dfb s LYS 104 Cb -0.21 -3.35 0.18 0.00 -1.51 0.00 0.00 37.83 32.95 2dfb s LYS 104 CO 0.22 -0.13 1.14 1.28 -0.36 0.00 0.00 175.35 177.50 2dfb n LEU 105 N 3.48 2.51 0.00 5.43 4.77 0.66 -5.00 117.00 128.86 2dfb n LEU 105 Ca 0.07 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 2dfb n LEU 105 Cb 0.47 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2dfb n LEU 105 CO 0.54 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 2dfb n GLY 106 N -0.29 0.92 3.08 -0.72 0.00 -1.23 -4.88 105.19 102.08 2dfb n GLY 106 Ca 0.08 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 2dfb n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dfb s GLU 107 N -2.00 0.60 0.00 1.61 2.02 -1.26 -0.85 118.70 118.82 2dfb s GLU 107 Ca 0.00 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.21 2dfb s GLU 107 Cb 0.00 -0.43 -0.00 0.00 0.10 0.00 0.00 34.13 33.79 2dfb s GLU 107 CO 0.00 0.09 -0.02 0.54 0.02 0.00 0.00 175.26 175.89 2dfb s VAL 108 N -1.30 0.11 -0.19 2.63 0.11 -0.44 -4.96 120.40 116.36 2dfb s VAL 108 Ca -0.07 -0.20 -0.07 0.00 -2.93 0.00 0.00 61.98 58.71 2dfb s VAL 108 Cb -0.10 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 2dfb s VAL 108 CO 0.01 -0.05 0.06 -0.89 -3.33 0.00 0.00 175.10 170.90 2dfb s THR 109 N -0.25 4.68 -0.23 5.04 2.01 -1.26 -0.31 115.64 125.32 2dfb s THR 109 Ca -0.02 -0.07 -0.20 0.00 0.31 0.00 0.00 61.69 61.71 2dfb s THR 109 Cb -0.02 -3.12 0.06 0.00 0.01 0.00 0.00 72.50 69.43 2dfb s THR 109 CO -0.00 0.44 0.60 -0.55 -0.69 0.00 0.00 174.62 174.42 2dfb s SER 110 N 0.60 -0.65 -1.47 3.53 0.15 -0.47 -4.98 113.70 110.41 2dfb s SER 110 Ca 0.03 1.22 -0.12 0.00 0.70 0.00 0.00 55.95 57.78 2dfb s SER 110 Cb -0.13 1.22 0.06 0.00 -1.71 0.00 0.00 66.02 65.46 2dfb s SER 110 CO 0.01 -0.21 1.06 0.47 1.20 0.00 0.00 173.24 175.78 2dfb n ASP 111 N 2.94 -5.45 0.00 5.45 8.00 -1.26 -2.35 116.55 123.88 2dfb n ASP 111 Ca -0.15 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.67 2dfb n ASP 111 Cb 0.56 -4.32 0.00 0.00 -0.02 0.00 0.00 41.12 37.34 2dfb n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dfb n GLY 112 N -1.82 0.76 3.26 0.44 0.00 -1.26 -4.92 105.19 101.65 2dfb n GLY 112 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 2dfb n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dfb s SER 113 N -2.39 -0.11 0.36 1.61 0.15 -0.99 -4.99 113.70 107.34 2dfb s SER 113 Ca 0.00 -0.32 -0.25 0.00 0.70 0.00 0.00 55.95 56.08 2dfb s SER 113 Cb 0.00 0.39 -0.09 0.00 -1.71 0.00 0.00 66.02 64.61 2dfb s SER 113 CO 0.00 -0.71 1.02 -0.69 1.20 0.00 0.00 173.24 174.07 2dfb s VAL 114 N -3.19 3.84 0.01 4.45 1.01 -1.26 -1.36 120.40 123.90 2dfb s VAL 114 Ca -0.01 1.48 0.08 0.00 0.00 0.00 0.00 61.98 63.54 2dfb s VAL 114 Cb 0.01 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2dfb s VAL 114 CO -0.07 0.08 -0.24 -0.31 0.00 0.00 0.00 175.10 174.56 2dfb s TYR 115 N -1.60 2.14 -0.05 5.22 1.51 0.58 -1.47 117.35 123.68 2dfb s TYR 115 Ca 0.54 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 56.11 2dfb s TYR 115 Cb -0.22 -1.33 -0.05 0.00 -0.11 0.00 0.00 41.96 40.26 2dfb s TYR 115 CO 0.28 0.04 0.26 -0.51 -1.11 0.00 0.00 175.55 174.51 2dfb s ASP 116 N -0.90 6.55 -0.08 2.29 1.01 -0.83 -1.33 116.67 123.38 2dfb s ASP 116 Ca 0.10 0.65 -0.00 0.00 0.71 0.00 0.00 52.55 54.01 2dfb s ASP 116 Cb -0.09 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 2dfb s ASP 116 CO 0.01 0.34 -0.05 -0.63 0.21 0.00 0.00 175.17 175.05 2dfb s ILE 117 N -1.11 3.89 0.04 0.77 1.01 -0.03 -0.54 121.20 125.22 2dfb s ILE 117 Ca 0.21 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 2dfb s ILE 117 Cb -0.14 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.71 2dfb s ILE 117 CO 0.10 0.59 0.14 -0.31 0.00 0.00 0.00 174.94 175.46 2dfb s TYR 118 N -0.72 0.14 -0.02 3.97 1.51 -0.33 -0.24 117.35 121.65 2dfb s TYR 118 Ca 0.11 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.85 2dfb s TYR 118 Cb -0.11 -0.09 -0.02 0.00 -0.11 0.00 0.00 41.96 41.62 2dfb s TYR 118 CO 0.02 -0.39 -0.25 0.50 -1.11 0.00 0.00 175.55 174.33 2dfb s ARG 119 N -2.53 2.17 0.35 -0.62 3.52 -1.25 -1.06 118.95 119.52 2dfb s ARG 119 Ca -0.05 -0.90 0.03 0.00 -0.13 0.00 0.00 55.73 54.68 2dfb s ARG 119 Cb -0.01 -2.08 -0.04 0.00 -1.56 0.00 0.00 34.95 31.25 2dfb s ARG 119 CO -0.04 0.56 0.11 0.95 -0.81 0.00 0.00 175.30 176.07 2dfb s THR 120 N -0.61 0.75 -0.04 4.11 -4.23 -0.57 -4.41 115.64 110.65 2dfb s THR 120 Ca 0.10 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.63 2dfb s THR 120 Cb -0.10 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.20 2dfb s THR 120 CO -0.01 0.00 -0.09 -1.58 -0.54 0.00 0.00 174.62 172.40 2dfb s GLN 121 N -3.83 1.08 -0.19 3.99 0.74 -1.26 -0.71 119.66 119.48 2dfb s GLN 121 Ca 0.31 -0.30 -0.07 0.00 0.05 0.00 0.00 55.36 55.36 2dfb s GLN 121 Cb 0.06 -0.99 -0.04 0.00 1.10 0.00 0.00 33.01 33.14 2dfb s GLN 121 CO 0.15 0.07 0.05 1.03 -0.55 0.00 0.00 175.29 176.04 2dfb s ARG 122 N 0.39 3.89 -0.25 1.67 1.81 0.18 -4.97 118.95 121.66 2dfb s ARG 122 Ca -0.07 -0.39 -0.04 0.00 -1.72 0.00 0.00 55.73 53.52 2dfb s ARG 122 Cb -0.11 -3.19 0.01 0.00 -0.45 0.00 0.00 34.95 31.21 2dfb s ARG 122 CO 0.01 0.20 -0.01 0.08 -0.68 0.00 0.00 175.30 174.90 2dfb s VAL 123 N 0.56 3.37 -1.21 3.52 1.01 -1.26 -1.18 120.40 125.22 2dfb s VAL 123 Ca 0.02 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 2dfb s VAL 123 Cb -0.13 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 2dfb s VAL 123 CO 0.01 0.23 0.73 0.59 0.00 0.00 0.00 175.10 176.67 2dfb n ASN 124 N 4.77 -3.57 -4.52 3.32 5.03 -0.96 -4.90 115.26 114.43 2dfb n ASN 124 Ca -0.16 -0.92 -0.24 0.00 0.87 0.00 0.00 54.58 54.12 2dfb n ASN 124 Cb 0.49 -3.76 -0.10 0.00 -1.02 0.00 0.00 39.78 35.39 2dfb n ASN 124 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2dfb s GLN 125 N -5.86 1.81 0.61 3.52 -1.52 0.03 -4.69 119.66 113.55 2dfb s GLN 125 Ca 0.27 -1.78 -0.19 0.00 -1.95 0.00 0.00 55.36 51.71 2dfb s GLN 125 Cb -0.08 -1.80 -0.02 0.00 -0.22 0.00 0.00 33.01 30.88 2dfb s GLN 125 CO 0.84 0.27 1.28 -2.14 -0.25 0.00 0.00 175.29 175.28 2dfb s PRO 126 N -3.57 2.78 0.33 2.91 0.02 -1.26 -1.11 135.00 135.10 2dfb s PRO 126 Ca 0.31 2.02 -0.11 0.00 0.02 0.00 0.00 61.00 63.24 2dfb s PRO 126 Cb -0.03 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.57 2dfb s PRO 126 CO 0.16 -1.41 0.60 -1.54 -0.33 0.00 0.00 177.00 174.49 2dfb s SER 127 N -1.39 0.30 0.21 2.53 1.04 -1.08 -4.84 113.70 110.47 2dfb s SER 127 Ca 0.79 -1.18 0.17 0.00 0.48 0.00 0.00 55.95 56.21 2dfb s SER 127 Cb -0.36 0.72 0.84 0.00 0.10 0.00 0.00 66.02 67.32 2dfb s SER 127 CO 0.39 -1.41 1.53 2.30 0.98 0.00 0.00 173.24 177.03 2dfb n ILE 128 N -0.51 1.15 -0.01 -1.02 -5.35 -1.26 -2.38 119.36 109.98 2dfb n ILE 128 Ca -0.03 0.49 0.02 0.00 -0.27 0.00 0.00 62.75 62.97 2dfb n ILE 128 Cb 0.61 -1.45 0.06 0.00 -1.74 0.00 0.00 39.64 37.12 2dfb n ILE 128 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2dfb n ILE 129 N -2.03 0.76 0.00 7.28 -6.64 -1.26 -5.11 119.36 112.36 2dfb n ILE 129 Ca 0.00 -0.88 0.00 0.00 -1.77 0.00 0.00 62.75 60.10 2dfb n ILE 129 Cb 0.10 0.64 0.00 0.00 -1.44 0.00 0.00 39.64 38.94 2dfb n ILE 129 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2dfb n GLY 130 N 0.02 -1.11 3.69 3.28 0.00 -1.00 -5.00 105.19 105.06 2dfb n GLY 130 Ca 0.04 -2.24 -0.44 0.00 0.00 0.00 0.00 46.02 43.39 2dfb n GLY 130 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2dfb n THR 131 N -0.48 1.10 -3.55 2.61 -1.04 -1.26 -2.64 114.28 109.01 2dfb n THR 131 Ca 0.00 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.05 61.65 2dfb n THR 131 Cb 0.00 -1.62 -0.02 0.00 -1.82 0.00 0.00 70.33 66.88 2dfb n THR 131 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dfb s ALA 132 N -0.17 -1.66 -0.16 2.41 0.00 -0.27 -4.87 121.76 117.03 2dfb s ALA 132 Ca 0.65 0.58 -0.07 0.00 0.00 0.00 0.00 51.96 53.12 2dfb s ALA 132 Cb -0.60 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2dfb s ALA 132 CO 0.51 -0.80 0.09 0.99 0.00 0.00 0.00 175.76 176.55 2dfb s THR 133 N -3.43 5.08 0.09 0.00 2.01 -1.26 -0.79 115.64 117.33 2dfb s THR 133 Ca 0.05 0.06 -0.24 0.00 0.31 0.00 0.00 61.69 61.88 2dfb s THR 133 Cb -0.02 -3.26 0.06 0.00 0.01 0.00 0.00 72.50 69.29 2dfb s THR 133 CO -0.07 0.50 0.58 0.72 -0.69 0.00 0.00 174.62 175.66 2dfb s PHE 134 N -0.07 -0.50 0.44 4.92 -0.71 -0.32 -4.94 117.98 116.79 2dfb s PHE 134 Ca 0.08 0.48 -0.10 0.00 -1.04 0.00 0.00 56.93 56.35 2dfb s PHE 134 Cb -0.12 0.45 -0.06 0.00 -1.21 0.00 0.00 43.02 42.08 2dfb s PHE 134 CO 0.01 -0.74 0.80 0.71 -1.34 0.00 0.00 175.22 174.66 2dfb s TYR 135 N -2.93 3.49 -0.03 3.49 2.02 -1.26 -0.65 117.35 121.49 2dfb s TYR 135 Ca -0.03 1.04 0.07 0.00 -0.37 0.00 0.00 57.07 57.78 2dfb s TYR 135 Cb -0.00 -2.45 -0.02 0.00 -0.40 0.00 0.00 41.96 39.08 2dfb s TYR 135 CO -0.06 -0.18 -0.24 -0.65 -1.57 0.00 0.00 175.55 172.85 2dfb s GLN 136 N -4.10 2.26 -0.04 -0.62 -0.21 0.11 -2.32 119.66 114.74 2dfb s GLN 136 Ca 0.51 -0.88 0.02 0.00 0.02 0.00 0.00 55.36 55.03 2dfb s GLN 136 Cb -0.10 -2.12 -0.03 0.00 1.00 0.00 0.00 33.01 31.76 2dfb s GLN 136 CO 0.35 0.54 -0.09 0.71 -2.12 0.00 0.00 175.29 174.68 2dfb s TYR 137 N -0.55 2.85 -0.04 0.91 2.02 -0.86 -1.51 117.35 120.17 2dfb s TYR 137 Ca 0.08 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.75 2dfb s TYR 137 Cb -0.11 -1.66 0.01 0.00 -0.40 0.00 0.00 41.96 39.80 2dfb s TYR 137 CO 0.00 0.30 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.60 2dfb s TRP 138 N -0.83 1.10 -0.19 2.71 0.52 -0.22 -1.04 118.94 120.99 2dfb s TRP 138 Ca 0.13 -0.32 -0.02 0.00 0.02 0.00 0.00 56.10 55.91 2dfb s TRP 138 Cb -0.11 -0.81 -0.01 0.00 -1.15 0.00 0.00 33.47 31.39 2dfb s TRP 138 CO 0.03 -0.16 -0.08 -1.12 0.02 0.00 0.00 176.95 175.63 2dfb s SER 139 N 0.41 4.14 -0.25 2.95 0.01 -0.17 -1.18 113.70 119.61 2dfb s SER 139 Ca -0.07 -0.38 -0.02 0.00 1.31 0.00 0.00 55.95 56.78 2dfb s SER 139 Cb -0.12 -1.68 0.02 0.00 0.21 0.00 0.00 66.02 64.46 2dfb s SER 139 CO 0.01 0.05 -0.04 -0.69 0.41 0.00 0.00 173.24 172.98 2dfb s VAL 140 N 1.05 3.03 0.16 3.43 1.01 0.30 -0.49 120.40 128.89 2dfb s VAL 140 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 61.98 60.70 2dfb s VAL 140 Cb -0.15 -2.54 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 2dfb s VAL 140 CO -0.01 0.19 1.37 -0.60 0.00 0.00 0.00 175.10 176.05 2dfb s ARG 141 N 1.35 4.34 0.20 2.72 3.52 -0.13 -1.96 118.95 128.99 2dfb s ARG 141 Ca 0.01 2.10 0.03 0.00 -0.13 0.00 0.00 55.73 57.74 2dfb s ARG 141 Cb -0.17 -3.21 0.12 0.00 -1.56 0.00 0.00 34.95 30.13 2dfb s ARG 141 CO -0.04 -0.37 1.47 0.00 -0.81 0.00 0.00 175.30 175.55 2dfb h ARG 142 N 6.04 0.24 -4.11 5.12 3.08 -1.59 -3.41 114.38 119.75 2dfb h ARG 142 Ca -0.44 -0.20 -0.74 0.00 0.07 0.00 0.00 59.98 58.67 2dfb h ARG 142 Cb 1.21 0.05 -0.29 0.00 0.08 0.00 0.00 29.97 31.02 2dfb h ARG 142 CO 0.82 0.87 -0.29 -0.80 -1.07 0.00 0.00 179.97 179.50 2dfb s ASN 143 N -6.92 5.87 0.51 7.04 0.01 -1.26 -5.07 114.94 115.12 2dfb s ASN 143 Ca -0.04 -2.12 -0.21 0.00 -0.71 0.00 0.00 52.86 49.78 2dfb s ASN 143 Cb 0.11 -2.05 -0.06 0.00 0.41 0.00 0.00 41.25 39.66 2dfb s ASN 143 CO 0.82 -0.66 1.18 -1.00 -1.51 0.00 0.00 177.10 175.93 2dfb s HIS 144 N 1.05 2.70 0.24 2.20 3.76 -1.26 -4.98 115.29 118.99 2dfb s HIS 144 Ca 0.08 1.52 -0.21 0.00 -0.15 0.00 0.00 55.06 56.30 2dfb s HIS 144 Cb -0.24 -3.42 0.04 0.00 1.11 0.00 0.00 32.58 30.07 2dfb s HIS 144 CO -0.02 -1.77 0.67 -0.98 -0.85 0.00 0.00 174.74 171.79 2dfb s ARG 145 N -2.95 1.60 -0.01 1.40 1.70 -0.73 -5.02 118.95 114.94 2dfb s ARG 145 Ca 0.69 -0.81 0.02 0.00 -0.47 0.00 0.00 55.73 55.15 2dfb s ARG 145 Cb -0.29 0.60 0.02 0.00 -0.57 0.00 0.00 34.95 34.71 2dfb s ARG 145 CO 0.34 -0.72 0.80 -1.13 -1.08 0.00 0.00 175.30 173.51 2dfb n SER 146 N -0.43 1.00 -4.09 -2.89 3.41 -1.26 -4.20 113.62 105.16 2dfb n SER 146 Ca -0.09 -1.66 -0.09 0.00 -0.26 0.00 0.00 58.87 56.77 2dfb n SER 146 Cb 0.61 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 2dfb n SER 146 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dfb s SER 147 N -0.73 0.65 0.00 4.04 0.01 -1.26 -2.71 113.70 113.70 2dfb s SER 147 Ca 0.03 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.39 2dfb s SER 147 Cb 0.02 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2dfb s SER 147 CO 0.00 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.77 2dfb n GLY 148 N 0.39 -0.22 3.03 3.44 0.00 -0.11 -4.97 105.19 106.75 2dfb n GLY 148 Ca -0.16 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.23 2dfb n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dfb s SER 149 N -4.00 1.22 -0.21 1.61 0.15 -1.26 -1.33 113.70 109.87 2dfb s SER 149 Ca 0.00 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.48 2dfb s SER 149 Cb 0.00 -0.23 0.04 0.00 -1.71 0.00 0.00 66.02 64.12 2dfb s SER 149 CO 0.00 0.10 -0.16 -0.69 1.20 0.00 0.00 173.24 173.69 2dfb s VAL 150 N -0.04 2.11 -0.84 4.45 1.01 0.69 -4.77 120.40 123.01 2dfb s VAL 150 Ca 0.01 -1.23 -0.21 0.00 0.00 0.00 0.00 61.98 60.55 2dfb s VAL 150 Cb -0.06 -2.03 0.09 0.00 0.00 0.00 0.00 36.38 34.38 2dfb s VAL 150 CO 0.00 0.31 1.12 0.21 0.00 0.00 0.00 175.10 176.74 2dfb s ASN 151 N 1.21 6.42 0.49 3.32 3.84 -1.26 -1.00 114.94 127.97 2dfb s ASN 151 Ca -0.01 -1.51 0.15 0.00 0.21 0.00 0.00 52.86 51.71 2dfb s ASN 151 Cb -0.16 -2.44 1.17 0.00 -0.55 0.00 0.00 41.25 39.28 2dfb s ASN 151 CO -0.10 -1.30 2.10 0.71 -2.79 0.00 0.00 177.10 175.72 2dfb h THR 152 N 6.03 1.04 -0.61 -5.21 1.35 -1.59 -1.57 112.91 112.36 2dfb h THR 152 Ca -0.02 -0.18 0.03 0.00 -0.55 0.00 0.00 66.41 65.69 2dfb h THR 152 Cb 1.04 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 68.49 2dfb h THR 152 CO 1.19 0.05 0.40 0.00 -0.25 0.00 0.00 175.52 176.92 2dfb h ALA 153 N 1.93 1.67 -0.90 6.62 0.00 -1.75 -0.25 119.26 126.58 2dfb h ALA 153 Ca 0.01 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2dfb h ALA 153 Cb 0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2dfb h ALA 153 CO 0.00 0.26 0.59 -0.91 0.00 0.00 0.00 179.25 179.20 2dfb h ASN 154 N 0.72 1.02 0.07 0.00 2.35 -1.62 0.52 115.58 118.63 2dfb h ASN 154 Ca 0.24 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2dfb h ASN 154 Cb 0.08 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.20 2dfb h ASN 154 CO -0.07 0.72 -0.04 0.45 -1.65 0.00 0.00 177.43 176.85 2dfb h HIS 155 N 1.19 -0.09 -0.60 1.19 3.86 -1.44 -2.24 115.15 117.02 2dfb h HIS 155 Ca 0.34 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.50 2dfb h HIS 155 Cb -0.09 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 2dfb h HIS 155 CO -0.01 0.41 0.18 0.74 0.86 0.00 0.00 177.93 180.11 2dfb h PHE 156 N -0.66 0.93 -0.43 2.45 0.04 -0.93 0.10 116.94 118.44 2dfb h PHE 156 Ca -0.01 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.64 2dfb h PHE 156 Cb 0.55 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 2dfb h PHE 156 CO 0.10 0.75 0.11 -0.91 -0.60 0.00 0.00 178.31 177.76 2dfb h ASN 157 N 0.88 0.65 -0.49 2.17 -0.26 -0.98 -1.22 115.58 116.32 2dfb h ASN 157 Ca 0.20 -0.23 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 2dfb h ASN 157 Cb 0.27 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 2dfb h ASN 157 CO -0.01 0.71 0.21 0.00 -1.06 0.00 0.00 177.43 177.28 2dfb h ALA 158 N 0.96 0.64 -0.21 -0.83 0.00 -0.76 -0.78 119.26 118.29 2dfb h ALA 158 Ca 0.13 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2dfb h ALA 158 Cb 0.31 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2dfb h ALA 158 CO 0.00 0.24 0.03 -1.49 0.00 0.00 0.00 179.25 178.03 2dfb h TRP 159 N 0.65 0.05 -0.64 0.00 6.55 -0.73 -2.15 115.95 119.68 2dfb h TRP 159 Ca 0.17 0.01 0.03 0.00 0.95 0.00 0.00 58.89 60.05 2dfb h TRP 159 Cb 0.18 0.01 -0.04 0.00 -0.86 0.00 0.00 29.16 28.45 2dfb h TRP 159 CO 0.00 0.01 0.39 0.00 -1.05 0.00 0.00 178.44 177.79 2dfb h ALA 160 N 1.16 0.83 -0.96 1.49 0.00 -0.89 0.52 119.26 121.40 2dfb h ALA 160 Ca 0.09 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.14 2dfb h ALA 160 Cb 0.10 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 2dfb h ALA 160 CO -0.13 0.14 0.58 0.37 0.00 0.00 0.00 179.25 180.20 2dfb h GLN 161 N 0.77 0.80 -0.00 0.00 4.15 -0.83 -1.05 115.11 118.95 2dfb h GLN 161 Ca 0.26 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.63 2dfb h GLN 161 Cb 0.03 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.53 2dfb h GLN 161 CO -0.11 0.53 -0.02 1.04 -1.93 0.00 0.00 178.83 178.35 2dfb n GLN 162 N -4.73 1.00 -0.17 1.69 1.13 -0.65 -4.91 117.38 110.74 2dfb n GLN 162 Ca 0.20 -0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2dfb n GLN 162 Cb 0.45 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.30 2dfb n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dfb n GLY 163 N 1.11 0.91 3.24 1.08 0.00 -0.40 -5.04 105.19 106.09 2dfb n GLY 163 Ca 0.20 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2dfb n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dfb s LEU 164 N 0.00 6.09 0.09 0.99 1.43 0.09 -4.98 118.68 122.38 2dfb s LEU 164 Ca 0.00 -2.50 -0.23 0.00 -1.03 0.00 0.00 54.13 50.36 2dfb s LEU 164 Cb 0.00 -2.07 -0.07 0.00 0.03 0.00 0.00 46.19 44.08 2dfb s LEU 164 CO 0.00 -0.57 0.71 -0.89 0.23 0.00 0.00 176.35 175.83 2dfb s THR 165 N 0.47 4.63 -0.05 5.49 2.01 -1.26 -2.86 115.64 124.06 2dfb s THR 165 Ca 0.14 1.53 -0.03 0.00 0.31 0.00 0.00 61.69 63.64 2dfb s THR 165 Cb -0.18 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2dfb s THR 165 CO -0.05 0.46 0.10 -0.76 -0.69 0.00 0.00 174.62 173.68 2dfb s LEU 166 N -0.65 4.04 0.00 4.42 1.43 -1.26 -4.87 118.68 121.79 2dfb s LEU 166 Ca 0.35 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 2dfb s LEU 166 Cb -0.21 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 43.83 2dfb s LEU 166 CO 0.23 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.74 2dfb n GLY 167 N 1.54 1.35 3.71 -3.19 0.00 -1.25 -4.80 105.19 102.55 2dfb n GLY 167 Ca -0.16 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 2dfb n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dfb s THR 168 N 2.06 4.82 0.30 2.61 2.01 0.34 -4.75 115.64 123.03 2dfb s THR 168 Ca 0.00 2.02 -0.29 0.00 0.31 0.00 0.00 61.69 63.73 2dfb s THR 168 Cb 0.00 -4.30 -0.10 0.00 0.01 0.00 0.00 72.50 68.11 2dfb s THR 168 CO 0.00 0.15 1.30 -0.04 -0.69 0.00 0.00 174.62 175.35 2dfb s MET 169 N 1.04 4.37 0.00 4.92 1.00 -1.26 -0.49 119.30 128.88 2dfb s MET 169 Ca 0.52 2.17 0.00 0.00 0.00 0.00 0.00 55.69 58.38 2dfb s MET 169 Cb -0.21 -3.10 0.00 0.00 0.00 0.00 0.00 34.83 31.51 2dfb s MET 169 CO 0.28 -0.19 0.00 -3.47 0.00 0.00 0.00 175.02 171.64 2dfb n ASP 170 N 1.23 0.00 -4.74 3.03 -0.08 0.18 -4.60 116.55 111.57 2dfb n ASP 170 Ca 0.01 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.00 2dfb n ASP 170 Cb 0.42 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.01 2dfb n ASP 170 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 2dfb s TYR 171 N 4.28 2.43 -0.24 -0.67 -0.85 -1.26 -0.29 117.35 120.75 2dfb s TYR 171 Ca 0.00 1.21 -0.03 0.00 -0.52 0.00 0.00 57.07 57.73 2dfb s TYR 171 Cb 0.00 -3.16 0.13 0.00 0.38 0.00 0.00 41.96 39.30 2dfb s TYR 171 CO 0.00 -2.27 0.38 -1.14 -1.52 0.00 0.00 175.55 171.00 2dfb s GLN 172 N -5.00 0.34 0.17 -3.49 0.74 -0.30 -2.28 119.66 109.84 2dfb s GLN 172 Ca 0.63 0.58 0.03 0.00 0.05 0.00 0.00 55.36 56.64 2dfb s GLN 172 Cb -0.17 -0.42 -0.05 0.00 1.10 0.00 0.00 33.01 33.48 2dfb s GLN 172 CO 0.56 -0.60 -0.03 0.96 -0.55 0.00 0.00 175.29 175.63 2dfb s ILE 173 N 2.55 0.83 -0.28 -2.34 -4.36 0.11 -0.77 121.20 116.94 2dfb s ILE 173 Ca 0.11 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.32 2dfb s ILE 173 Cb -0.15 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.50 2dfb s ILE 173 CO -0.15 -0.56 0.55 -0.69 0.24 0.00 0.00 174.94 174.33 2dfb s VAL 174 N -3.55 5.03 -0.01 8.37 1.01 -0.13 -0.51 120.40 130.60 2dfb s VAL 174 Ca 0.21 0.84 0.08 0.00 0.00 0.00 0.00 61.98 63.11 2dfb s VAL 174 Cb 0.05 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2dfb s VAL 174 CO 0.03 -0.00 -0.25 0.00 0.00 0.00 0.00 175.10 174.88 2dfb s ALA 175 N 2.40 2.06 -0.27 5.51 0.00 0.20 -2.85 121.76 128.81 2dfb s ALA 175 Ca 0.22 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 2dfb s ALA 175 Cb -0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 2dfb s ALA 175 CO 0.10 0.50 0.32 0.08 0.00 0.00 0.00 175.76 176.76 2dfb s VAL 176 N -0.61 5.22 -0.03 0.00 1.01 -0.15 -1.68 120.40 124.16 2dfb s VAL 176 Ca 0.10 0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.59 2dfb s VAL 176 Cb -0.09 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2dfb s VAL 176 CO -0.00 0.19 -0.14 -0.70 0.00 0.00 0.00 175.10 174.45 2dfb s GLU 177 N 1.91 2.44 0.12 2.72 2.12 -0.35 -1.31 118.70 126.34 2dfb s GLU 177 Ca 0.13 -0.75 0.05 0.00 0.36 0.00 0.00 54.97 54.77 2dfb s GLU 177 Cb -0.16 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 2dfb s GLU 177 CO 0.10 0.61 -0.13 0.20 -0.54 0.00 0.00 175.26 175.49 2dfb s GLY 178 N -0.96 1.03 -0.32 -1.50 0.00 -0.44 -0.79 107.32 104.35 2dfb s GLY 178 Ca 0.13 -1.26 -0.02 0.00 0.00 0.00 0.00 44.72 43.57 2dfb s GLY 178 CO 0.02 -1.32 0.13 -0.47 0.00 0.00 0.00 173.10 171.46 2dfb s TYR 179 N -2.16 1.04 -0.99 1.90 5.04 -0.55 -1.58 117.35 120.06 2dfb s TYR 179 Ca 0.08 -1.42 -0.12 0.00 -2.44 0.00 0.00 57.07 53.17 2dfb s TYR 179 Cb -0.05 -1.30 -0.01 0.00 0.35 0.00 0.00 41.96 40.96 2dfb s TYR 179 CO 0.02 -0.85 0.74 1.19 -1.34 0.00 0.00 175.55 175.32 2dfb n PHE 180 N 4.83 -2.18 -3.76 4.97 3.01 -0.22 -4.34 117.46 119.77 2dfb n PHE 180 Ca -0.01 0.68 -0.02 0.00 1.01 0.00 0.00 57.45 59.12 2dfb n PHE 180 Cb 0.41 -3.47 -0.00 0.00 -0.01 0.00 0.00 39.48 36.41 2dfb n PHE 180 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2dfb n SER 181 N -2.49 -0.11 -4.25 4.37 3.41 -1.26 -4.65 113.62 108.65 2dfb n SER 181 Ca -0.12 -1.19 -0.14 0.00 -0.26 0.00 0.00 58.87 57.17 2dfb n SER 181 Cb 0.59 0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 64.65 2dfb n SER 181 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dfb s SER 182 N -1.21 1.43 0.00 4.04 0.01 -0.88 -1.05 113.70 116.04 2dfb s SER 182 Ca 0.03 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.17 2dfb s SER 182 Cb 0.00 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2dfb s SER 182 CO 0.02 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.79 2dfb n GLY 183 N -0.23 -2.27 3.15 3.44 0.00 0.03 -0.10 105.19 109.21 2dfb n GLY 183 Ca -0.08 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 2dfb n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dfb s SER 184 N -0.77 0.13 -0.01 1.61 1.04 -0.83 -0.93 113.70 113.94 2dfb s SER 184 Ca 0.00 -0.49 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 2dfb s SER 184 Cb 0.00 0.26 0.06 0.00 0.10 0.00 0.00 66.02 66.44 2dfb s SER 184 CO 0.00 -0.55 0.57 0.00 0.98 0.00 0.00 173.24 174.24 2dfb s ALA 185 N -2.72 -1.46 -0.18 5.32 0.00 0.17 -0.30 121.76 122.58 2dfb s ALA 185 Ca -0.04 0.93 -0.04 0.00 0.00 0.00 0.00 51.96 52.81 2dfb s ALA 185 Cb -0.00 0.13 0.09 0.00 0.00 0.00 0.00 23.12 23.34 2dfb s ALA 185 CO -0.05 -0.39 0.28 0.45 0.00 0.00 0.00 175.76 176.05 2dfb s SER 186 N -1.44 0.64 -0.02 0.00 0.15 -0.20 -1.46 113.70 111.36 2dfb s SER 186 Ca -0.10 0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.85 2dfb s SER 186 Cb -0.01 0.72 -0.00 0.00 -1.71 0.00 0.00 66.02 65.01 2dfb s SER 186 CO 0.05 -0.28 -0.10 -0.63 1.20 0.00 0.00 173.24 173.49 2dfb s ILE 187 N 2.43 0.82 -0.16 6.45 -1.09 -0.22 -1.06 121.20 128.38 2dfb s ILE 187 Ca 0.05 -0.41 -0.01 0.00 -2.23 0.00 0.00 60.65 58.05 2dfb s ILE 187 Cb -0.14 -0.71 -0.01 0.00 -1.58 0.00 0.00 42.46 40.02 2dfb s ILE 187 CO -0.11 0.24 -0.12 -0.89 -1.23 0.00 0.00 174.94 172.83 2dfb s THR 188 N -0.02 3.01 0.03 2.92 2.01 0.20 -1.03 115.64 122.76 2dfb s THR 188 Ca 0.00 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.36 2dfb s THR 188 Cb -0.06 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 2dfb s THR 188 CO 0.00 0.50 0.09 -0.69 -0.69 0.00 0.00 174.62 173.83 2dfb s VAL 189 N 0.73 4.70 0.00 3.82 1.01 0.02 -1.49 120.40 129.19 2dfb s VAL 189 Ca -0.05 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2dfb s VAL 189 Cb -0.15 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2dfb s VAL 189 CO 0.02 0.27 0.00 -1.54 0.00 0.00 0.00 175.10 173.84