#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fwk s ILE 27 N 0.00 -0.09 0.62 9.51 1.09 -1.26 -5.15 121.20 125.93 2fwk s ILE 27 Ca 0.00 0.29 -0.19 0.00 -1.10 0.00 0.00 60.65 59.65 2fwk s ILE 27 Cb 0.00 -0.14 -0.03 0.00 -1.06 0.00 0.00 42.46 41.23 2fwk s ILE 27 CO 0.00 0.12 1.21 0.18 -0.10 0.00 0.00 174.94 176.34 2fwk n LEU 28 N 4.60 5.30 -0.32 2.97 4.77 -1.26 -4.85 117.00 128.21 2fwk n LEU 28 Ca -0.19 0.84 -0.01 0.00 -0.03 0.00 0.00 56.01 56.62 2fwk n LEU 28 Cb 0.50 -1.51 0.11 0.00 -2.33 0.00 0.00 43.42 40.20 2fwk n LEU 28 CO 0.15 -1.20 1.22 -0.65 -1.33 0.00 0.00 177.39 175.59 2fwk h PRO 29 N 0.63 1.06 0.00 3.23 0.11 -2.01 -1.15 132.00 133.87 2fwk h PRO 29 Ca -0.50 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 65.33 2fwk h PRO 29 Cb 1.34 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2fwk h PRO 29 CO 0.53 0.70 -0.92 -0.07 -0.21 0.00 0.00 178.00 178.03 2fwk h LEU 30 N 1.09 0.40 -1.59 2.35 3.38 -1.98 -3.09 115.31 115.87 2fwk h LEU 30 Ca 0.35 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2fwk h LEU 30 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2fwk h LEU 30 CO -0.12 1.12 0.18 0.00 0.09 0.00 0.00 178.44 179.72 2fwk h ALA 31 N 0.85 1.69 -0.59 1.53 0.00 -1.77 0.24 119.26 121.20 2fwk h ALA 31 Ca -0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2fwk h ALA 31 Cb 1.55 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 2fwk h ALA 31 CO 0.15 0.27 0.17 1.25 0.00 0.00 0.00 179.25 181.09 2fwk h LEU 32 N 0.47 0.87 -0.21 0.00 5.85 -1.15 -1.30 115.31 119.84 2fwk h LEU 32 Ca 0.12 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2fwk h LEU 32 Cb 0.02 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.82 2fwk h LEU 32 CO -0.02 0.86 0.00 -0.38 -0.34 0.00 0.00 178.44 178.56 2fwk n ILE 33 N -4.40 0.61 0.05 4.05 5.41 -0.43 -2.88 119.36 121.76 2fwk n ILE 33 Ca 0.03 -0.04 -0.20 0.00 1.00 0.00 0.00 62.75 63.54 2fwk n ILE 33 Cb 0.22 -0.78 -0.13 0.00 -0.71 0.00 0.00 39.64 38.23 2fwk n ILE 33 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2fwk h ASP 34 N 0.00 0.55 0.18 4.38 3.58 0.48 -3.22 116.42 122.38 2fwk h ASP 34 Ca 0.00 -0.88 0.00 0.00 0.42 0.00 0.00 57.03 56.57 2fwk h ASP 34 Cb 0.55 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2fwk h ASP 34 CO 0.00 1.38 0.00 0.29 -2.88 0.00 0.00 179.24 178.03 2fwk n LYS 35 N -4.10 0.33 0.00 0.28 4.76 -0.64 -3.27 118.16 115.52 2fwk n LYS 35 Ca -0.13 0.09 0.10 0.00 -2.87 0.00 0.00 58.31 55.50 2fwk n LYS 35 Cb 0.81 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.44 2fwk n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2fwk s ILE 37 N -3.03 2.77 0.00 0.00 1.01 -1.20 -0.90 121.20 119.85 2fwk s ILE 37 Ca 0.08 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.06 2fwk s ILE 37 Cb 0.16 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.41 2fwk s ILE 37 CO 0.84 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.40 2fwk n GLY 38 N 4.02 0.49 3.44 6.18 0.00 -0.38 -5.02 105.19 113.91 2fwk n GLY 38 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 2fwk n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2fwk s ASN 39 N -2.79 3.47 0.03 1.61 0.02 -0.08 -4.90 114.94 112.30 2fwk s ASN 39 Ca 0.00 -0.95 -0.22 0.00 -1.02 0.00 0.00 52.86 50.67 2fwk s ASN 39 Cb 0.00 -0.27 -0.06 0.00 0.02 0.00 0.00 41.25 40.94 2fwk s ASN 39 CO 0.00 0.07 0.66 -0.60 0.02 0.00 0.00 177.10 177.25 2fwk s ARG 40 N -3.09 4.38 0.29 -0.60 3.52 -1.26 -0.11 118.95 122.08 2fwk s ARG 40 Ca 0.25 0.88 0.02 0.00 -0.13 0.00 0.00 55.73 56.75 2fwk s ARG 40 Cb -0.06 -3.33 -0.05 0.00 -1.56 0.00 0.00 34.95 29.94 2fwk s ARG 40 CO 0.12 0.39 0.09 0.96 -0.81 0.00 0.00 175.30 176.05 2fwk s ILE 41 N -0.33 0.73 -0.26 4.11 -0.00 0.30 -3.73 121.20 122.02 2fwk s ILE 41 Ca 0.34 -2.00 0.03 0.00 -0.00 0.00 0.00 60.65 59.01 2fwk s ILE 41 Cb -0.19 -2.66 0.06 0.00 -0.00 0.00 0.00 42.46 39.67 2fwk s ILE 41 CO 0.20 0.00 -0.11 -0.47 -0.00 0.00 0.00 174.94 174.56 2fwk s TYR 42 N -3.58 3.28 0.10 1.37 6.14 -0.73 -2.31 117.35 121.62 2fwk s TYR 42 Ca 0.36 -2.33 0.01 0.00 0.64 0.00 0.00 57.07 55.75 2fwk s TYR 42 Cb 0.08 -1.95 -0.04 0.00 0.42 0.00 0.00 41.96 40.47 2fwk s TYR 42 CO 0.15 -0.88 0.24 0.08 0.64 0.00 0.00 175.55 175.78 2fwk s VAL 43 N 1.10 5.36 -0.18 3.14 1.01 -0.62 0.18 120.40 130.40 2fwk s VAL 43 Ca -0.09 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 2fwk s VAL 43 Cb -0.20 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.56 2fwk s VAL 43 CO -0.05 0.04 0.01 -0.69 0.00 0.00 0.00 175.10 174.42 2fwk s VAL 44 N -1.61 0.64 0.60 2.92 1.01 0.27 -1.06 120.40 123.16 2fwk s VAL 44 Ca 0.35 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 2fwk s VAL 44 Cb -0.12 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2fwk s VAL 44 CO 0.28 -0.09 0.99 -0.04 0.00 0.00 0.00 175.10 176.24 2fwk s MET 45 N 1.82 3.56 0.36 2.72 -1.94 -0.89 -1.93 119.30 123.00 2fwk s MET 45 Ca -0.00 0.64 -0.28 0.00 -1.71 0.00 0.00 55.69 54.34 2fwk s MET 45 Cb -0.16 -2.13 -0.12 0.00 2.01 0.00 0.00 34.83 34.43 2fwk s MET 45 CO -0.07 -0.53 1.39 1.63 -0.01 0.00 0.00 175.02 177.43 2fwk n LYS 46 N -2.68 2.40 0.00 2.03 5.02 0.13 -4.16 118.16 120.90 2fwk n LYS 46 Ca 0.05 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 2fwk n LYS 46 Cb 0.54 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 2fwk n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fwk n GLY 47 N 0.63 1.30 0.00 0.72 0.00 -1.26 -4.30 105.19 102.27 2fwk n GLY 47 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2fwk n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2fwk n ASP 48 N 3.71 2.47 -4.83 1.61 5.75 -1.26 -5.10 116.55 118.90 2fwk n ASP 48 Ca 0.00 -0.10 -0.33 0.00 -0.01 0.00 0.00 54.79 54.35 2fwk n ASP 48 Cb 0.00 0.69 -0.06 0.00 -1.03 0.00 0.00 41.12 40.72 2fwk n ASP 48 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2fwk s LYS 49 N -1.19 4.13 -0.13 0.11 -0.14 -1.26 -4.33 119.74 116.93 2fwk s LYS 49 Ca 0.00 0.97 -0.15 0.00 -1.36 0.00 0.00 55.97 55.43 2fwk s LYS 49 Cb 0.00 -2.24 0.04 0.00 -1.68 0.00 0.00 37.83 33.95 2fwk s LYS 49 CO 0.00 -0.02 0.40 -1.21 -0.76 0.00 0.00 175.35 173.76 2fwk s GLU 50 N -3.28 0.53 -0.01 1.68 2.02 -1.17 -2.09 118.70 116.38 2fwk s GLU 50 Ca 0.59 0.44 0.00 0.00 0.02 0.00 0.00 54.97 56.03 2fwk s GLU 50 Cb -0.09 0.25 0.01 0.00 0.10 0.00 0.00 34.13 34.40 2fwk s GLU 50 CO 0.17 -0.09 -0.01 -0.06 0.02 0.00 0.00 175.26 175.30 2fwk s PHE 51 N -0.08 0.20 -0.31 1.61 0.40 -0.23 -0.12 117.98 119.45 2fwk s PHE 51 Ca -0.03 0.00 -0.06 0.00 -0.60 0.00 0.00 56.93 56.25 2fwk s PHE 51 Cb -0.03 -0.24 0.03 0.00 0.51 0.00 0.00 43.02 43.29 2fwk s PHE 51 CO 0.02 -0.06 0.07 0.45 0.70 0.00 0.00 175.22 176.40 2fwk s SER 52 N 0.50 5.11 0.25 1.36 0.15 -0.74 -1.59 113.70 118.73 2fwk s SER 52 Ca -0.05 -0.94 -0.15 0.00 0.70 0.00 0.00 55.95 55.52 2fwk s SER 52 Cb -0.07 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 2fwk s SER 52 CO -0.01 -0.24 0.53 -0.83 1.20 0.00 0.00 173.24 173.88 2fwk s GLY 53 N 1.43 0.34 -0.22 9.45 0.00 -0.98 -0.58 107.32 116.76 2fwk s GLY 53 Ca 0.00 -0.69 -0.18 0.00 0.00 0.00 0.00 44.72 43.85 2fwk s GLY 53 CO 0.02 -0.48 0.49 0.14 0.00 0.00 0.00 173.10 173.26 2fwk s VAL 54 N -3.98 5.12 0.19 1.40 1.01 0.27 -0.54 120.40 123.86 2fwk s VAL 54 Ca 0.18 0.87 -0.31 0.00 0.00 0.00 0.00 61.98 62.73 2fwk s VAL 54 Cb -0.02 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.45 2fwk s VAL 54 CO 0.07 0.17 1.55 -0.22 0.00 0.00 0.00 175.10 176.67 2fwk s LEU 55 N 1.76 4.37 -0.00 3.92 2.96 0.84 -0.72 118.68 131.82 2fwk s LEU 55 Ca 0.22 2.66 0.03 0.00 -0.22 0.00 0.00 54.13 56.82 2fwk s LEU 55 Cb -0.15 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 2fwk s LEU 55 CO 0.09 -0.81 0.10 0.54 -1.32 0.00 0.00 176.35 174.95 2fwk n ARG 56 N 3.53 3.11 0.00 1.98 5.12 0.45 -1.25 116.66 129.60 2fwk n ARG 56 Ca 0.12 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 2fwk n ARG 56 Cb 0.39 -0.85 0.00 0.00 -1.16 0.00 0.00 32.46 30.83 2fwk n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2fwk n GLY 57 N 1.68 -0.26 4.03 -0.13 0.00 -1.22 -4.91 105.19 104.38 2fwk n GLY 57 Ca 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 46.02 44.89 2fwk n GLY 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fwk s PHE 58 N -2.00 0.01 0.00 1.61 -0.12 -1.26 -1.95 117.98 114.27 2fwk s PHE 58 Ca 0.00 -0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.83 2fwk s PHE 58 Cb 0.00 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 2fwk s PHE 58 CO 0.00 -0.09 0.00 -0.40 -0.05 0.00 0.00 175.22 174.68 2fwk n ASP 59 N -1.02 0.56 0.16 1.98 5.68 -1.00 -5.01 116.55 117.90 2fwk n ASP 59 Ca 0.06 -0.77 0.10 0.00 -0.50 0.00 0.00 54.79 53.67 2fwk n ASP 59 Cb 0.58 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.64 2fwk n ASP 59 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2fwk h GLU 60 N 0.00 0.00 0.00 0.11 4.11 -2.03 -3.16 114.58 113.61 2fwk h GLU 60 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2fwk h GLU 60 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2fwk h GLU 60 CO 0.00 0.09 0.00 0.66 0.07 0.00 0.00 179.01 179.83 2fwk n TYR 61 N -2.96 0.00 -3.12 2.06 4.02 -1.26 -4.79 117.16 111.10 2fwk n TYR 61 Ca 0.01 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.71 2fwk n TYR 61 Cb 0.59 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.96 2fwk n TYR 61 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 2fwk n VAL 62 N -0.69 -2.06 -3.43 -0.72 3.14 -1.19 -3.97 118.33 109.41 2fwk n VAL 62 Ca 0.06 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.09 2fwk n VAL 62 Cb 0.03 -3.33 -0.06 0.00 -1.06 0.00 0.00 33.84 29.42 2fwk n VAL 62 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2fwk s ASN 63 N -2.97 6.74 0.04 6.55 0.01 -1.26 -3.02 114.94 121.03 2fwk s ASN 63 Ca 0.36 0.97 0.01 0.00 -0.71 0.00 0.00 52.86 53.49 2fwk s ASN 63 Cb -0.16 -2.25 -0.02 0.00 0.41 0.00 0.00 41.25 39.23 2fwk s ASN 63 CO 0.44 0.10 -0.06 -0.04 -1.51 0.00 0.00 177.10 176.03 2fwk s MET 64 N -2.05 0.49 -0.20 -0.60 -1.94 -1.08 -2.37 119.30 111.54 2fwk s MET 64 Ca 0.37 -0.76 -0.03 0.00 -1.71 0.00 0.00 55.69 53.56 2fwk s MET 64 Cb -0.14 -0.16 -0.01 0.00 2.01 0.00 0.00 34.83 36.53 2fwk s MET 64 CO 0.19 0.01 -0.07 0.08 -0.01 0.00 0.00 175.02 175.22 2fwk s VAL 65 N -1.60 3.19 0.20 -6.03 1.01 -0.82 -1.46 120.40 114.88 2fwk s VAL 65 Ca -0.10 -0.56 0.11 0.00 0.00 0.00 0.00 61.98 61.42 2fwk s VAL 65 Cb -0.09 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2fwk s VAL 65 CO -0.01 0.45 -0.18 -0.76 0.00 0.00 0.00 175.10 174.61 2fwk s LEU 66 N 1.27 2.67 0.17 3.92 1.43 -0.95 -0.41 118.68 126.78 2fwk s LEU 66 Ca 0.03 -0.78 0.08 0.00 -1.03 0.00 0.00 54.13 52.44 2fwk s LEU 66 Cb -0.14 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2fwk s LEU 66 CO -0.03 0.10 -0.18 -1.81 0.23 0.00 0.00 176.35 174.66 2fwk s ASP 67 N -2.87 2.68 -0.88 2.29 1.11 0.10 -2.35 116.67 116.76 2fwk s ASP 67 Ca 0.24 -0.87 -0.05 0.00 0.18 0.00 0.00 52.55 52.04 2fwk s ASP 67 Cb -0.08 -0.16 0.00 0.00 1.07 0.00 0.00 42.92 43.76 2fwk s ASP 67 CO 0.13 -0.04 0.64 -0.67 1.18 0.00 0.00 175.17 176.41 2fwk n ASP 68 N 0.25 -5.30 -4.90 0.27 2.03 -0.92 -0.57 116.55 107.41 2fwk n ASP 68 Ca -0.13 -0.86 -0.32 0.00 0.52 0.00 0.00 54.79 54.00 2fwk n ASP 68 Cb 0.57 -2.40 -0.05 0.00 -0.72 0.00 0.00 41.12 38.53 2fwk n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2fwk s VAL 69 N -3.08 5.23 -0.25 5.18 1.01 0.18 -4.23 120.40 124.44 2fwk s VAL 69 Ca 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 2fwk s VAL 69 Cb -0.04 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.80 2fwk s VAL 69 CO 0.88 0.14 0.01 -1.10 0.00 0.00 0.00 175.10 175.02 2fwk s GLN 70 N -2.41 1.18 0.19 2.72 1.11 0.26 -1.09 119.66 121.63 2fwk s GLN 70 Ca 0.37 -0.96 -0.25 0.00 0.01 0.00 0.00 55.36 54.53 2fwk s GLN 70 Cb -0.13 -2.40 -0.08 0.00 -1.01 0.00 0.00 33.01 29.39 2fwk s GLN 70 CO 0.23 -0.73 0.79 -2.00 0.01 0.00 0.00 175.29 173.60 2fwk s GLU 71 N 1.51 4.54 0.41 2.91 2.12 0.27 -1.80 118.70 128.65 2fwk s GLU 71 Ca 0.00 1.15 0.03 0.00 0.36 0.00 0.00 54.97 56.51 2fwk s GLU 71 Cb -0.18 -3.16 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 2fwk s GLU 71 CO -0.11 0.52 0.11 0.66 -0.54 0.00 0.00 175.26 175.89 2fwk n TYR 72 N 1.36 0.36 0.00 5.30 4.02 0.83 0.62 117.16 129.65 2fwk n TYR 72 Ca -0.04 -2.44 0.00 0.00 -0.01 0.00 0.00 57.90 55.41 2fwk n TYR 72 Cb 0.49 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 2fwk n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2fwk n GLY 73 N -0.64 0.00 0.00 2.72 0.00 -1.26 -3.04 105.19 102.97 2fwk n GLY 73 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2fwk n GLY 73 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2fwk n VAL 91 N 0.00 0.00 -1.14 1.61 0.24 -1.26 -5.03 118.33 112.74 2fwk n VAL 91 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.94 2fwk n VAL 91 Cb 0.00 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.38 2fwk n VAL 91 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 2fwk n MET 92 N 0.00 0.00 0.00 7.34 1.56 -1.26 -4.93 117.12 119.82 2fwk n MET 92 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2fwk n MET 92 Cb 0.00 -0.93 0.00 0.00 2.15 0.00 0.00 33.22 34.44 2fwk n MET 92 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 175.97 176.57 2fwk n VAL 93 N -1.45 0.00 -3.63 1.12 0.24 0.20 -4.90 118.33 109.92 2fwk n VAL 93 Ca 0.07 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.33 2fwk n VAL 93 Cb 0.44 0.12 -0.04 0.00 -1.47 0.00 0.00 33.84 32.89 2fwk n VAL 93 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2fwk s ASN 94 N 0.00 -0.12 -0.18 -1.34 3.84 -1.05 -4.97 114.94 111.12 2fwk s ASN 94 Ca 0.00 0.14 0.01 0.00 0.21 0.00 0.00 52.86 53.22 2fwk s ASN 94 Cb 0.00 0.11 0.03 0.00 -0.55 0.00 0.00 41.25 40.84 2fwk s ASN 94 CO 0.00 -0.11 -0.12 -0.13 -2.79 0.00 0.00 177.10 173.95 2fwk s ARG 95 N -1.00 2.16 0.27 0.43 0.52 -1.26 0.94 118.95 121.02 2fwk s ARG 95 Ca 0.06 -0.75 0.12 0.00 -0.52 0.00 0.00 55.73 54.64 2fwk s ARG 95 Cb -0.01 -2.32 -0.05 0.00 0.52 0.00 0.00 34.95 33.09 2fwk s ARG 95 CO -0.06 -0.35 -0.17 -0.51 0.02 0.00 0.00 175.30 174.23 2fwk s LEU 96 N 1.42 2.69 0.00 2.53 1.43 -0.25 -4.98 118.68 121.52 2fwk s LEU 96 Ca 0.01 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 2fwk s LEU 96 Cb -0.15 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.86 2fwk s LEU 96 CO -0.09 0.04 0.00 -0.62 0.23 0.00 0.00 176.35 175.90 2fwk n GLU 97 N -0.63 0.00 -3.83 1.70 -0.58 -1.26 0.51 120.64 116.54 2fwk n GLU 97 Ca -0.05 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.33 2fwk n GLU 97 Cb 0.60 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.33 2fwk n GLU 97 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2fwk s THR 98 N 0.00 3.76 0.38 2.62 2.01 -1.25 -2.17 115.64 120.99 2fwk s THR 98 Ca 0.00 -0.43 0.05 0.00 0.31 0.00 0.00 61.69 61.62 2fwk s THR 98 Cb 0.00 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 2fwk s THR 98 CO 0.00 0.33 0.18 0.27 -0.69 0.00 0.00 174.62 174.71 2fwk s ILE 99 N 1.52 0.37 -0.06 1.82 -4.36 -0.99 -4.98 121.20 114.53 2fwk s ILE 99 Ca 0.05 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.44 2fwk s ILE 99 Cb -0.15 -2.39 0.02 0.00 1.25 0.00 0.00 42.46 41.19 2fwk s ILE 99 CO -0.00 0.00 -0.03 -0.22 0.24 0.00 0.00 174.94 174.93 2fwk s LEU 100 N -3.52 1.00 -0.27 0.37 0.20 -1.26 -2.23 118.68 112.97 2fwk s LEU 100 Ca 0.30 -0.12 -0.10 0.00 0.69 0.00 0.00 54.13 54.89 2fwk s LEU 100 Cb 0.02 -0.48 -0.04 0.00 -0.43 0.00 0.00 46.19 45.27 2fwk s LEU 100 CO 0.19 -0.12 0.16 -0.76 -0.29 0.00 0.00 176.35 175.52 2fwk s LEU 101 N 1.43 3.86 0.05 -0.68 1.43 -0.54 -4.96 118.68 119.27 2fwk s LEU 101 Ca -0.03 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 2fwk s LEU 101 Cb -0.13 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 2fwk s LEU 101 CO -0.03 -0.05 1.85 -0.55 0.23 0.00 0.00 176.35 177.81 2fwk s SER 102 N 1.72 6.49 0.42 2.29 0.15 -1.26 -2.63 113.70 120.88 2fwk s SER 102 Ca 0.07 2.61 0.14 0.00 0.70 0.00 0.00 55.95 59.47 2fwk s SER 102 Cb -0.16 -2.54 1.01 0.00 -1.71 0.00 0.00 66.02 62.61 2fwk s SER 102 CO 0.09 -1.00 1.93 1.23 1.20 0.00 0.00 173.24 176.69 2fwk h GLY 103 N 9.82 0.74 0.91 9.45 0.00 -1.66 -1.91 103.07 120.41 2fwk h GLY 103 Ca -0.46 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 46.70 2fwk h GLY 103 CO 0.94 0.08 0.64 3.43 0.00 0.00 0.00 176.54 181.63 2fwk h ASN 104 N 0.46 1.08 -0.00 0.19 2.35 -1.84 -0.75 115.58 117.06 2fwk h ASN 104 Ca 0.35 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 2fwk h ASN 104 Cb 0.73 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2fwk h ASN 104 CO -0.12 0.75 0.00 -3.20 -1.65 0.00 0.00 177.43 173.21 2fwk n ASN 105 N -4.45 0.28 -4.72 5.81 5.15 -0.73 -4.83 115.26 111.77 2fwk n ASN 105 Ca 0.13 -1.10 -0.42 0.00 -0.60 0.00 0.00 54.58 52.59 2fwk n ASN 105 Cb 0.07 -0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.29 2fwk n ASN 105 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2fwk s VAL 106 N -2.00 4.48 -0.18 3.44 1.01 -0.29 -0.70 120.40 126.17 2fwk s VAL 106 Ca 0.46 1.91 -0.08 0.00 0.00 0.00 0.00 61.98 64.27 2fwk s VAL 106 Cb 0.22 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 2fwk s VAL 106 CO 0.36 0.22 -0.22 0.00 0.00 0.00 0.00 175.10 175.46 2fwk n ALA 107 N 3.33 1.82 -3.57 5.51 0.00 -0.81 -4.85 120.51 121.94 2fwk n ALA 107 Ca 0.05 -0.71 -0.14 0.00 0.00 0.00 0.00 53.44 52.63 2fwk n ALA 107 Cb 0.49 0.25 -0.06 0.00 0.00 0.00 0.00 19.45 20.13 2fwk n ALA 107 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2fwk s MET 108 N -2.33 0.83 0.06 0.00 -2.45 -1.14 -5.02 119.30 109.25 2fwk s MET 108 Ca -0.25 0.37 0.05 0.00 -1.25 0.00 0.00 55.69 54.61 2fwk s MET 108 Cb 0.09 0.39 -0.03 0.00 1.25 0.00 0.00 34.83 36.54 2fwk s MET 108 CO 0.32 -0.22 -0.14 -0.48 1.05 0.00 0.00 175.02 175.55 2fwk s LEU 109 N -0.78 2.23 -0.14 4.11 0.05 -1.25 0.95 118.68 123.85 2fwk s LEU 109 Ca -0.05 -0.55 0.01 0.00 0.05 0.00 0.00 54.13 53.59 2fwk s LEU 109 Cb -0.01 -0.53 0.02 0.00 -2.05 0.00 0.00 46.19 43.61 2fwk s LEU 109 CO 0.04 -0.04 -0.18 -0.69 -0.55 0.00 0.00 176.35 174.94 2fwk s VAL 110 N -1.11 1.78 -0.81 1.48 1.01 0.48 -4.91 120.40 118.32 2fwk s VAL 110 Ca -0.01 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 2fwk s VAL 110 Cb -0.09 -1.62 -0.08 0.00 0.00 0.00 0.00 36.38 34.59 2fwk s VAL 110 CO 0.02 0.50 2.14 -2.84 0.00 0.00 0.00 175.10 174.91 2fwk s PRO 111 N 1.14 2.17 0.00 2.72 0.02 -1.26 -1.78 135.00 138.02 2fwk s PRO 111 Ca -0.01 0.19 0.00 0.00 0.02 0.00 0.00 61.00 61.20 2fwk s PRO 111 Cb -0.14 -4.87 0.00 0.00 0.02 0.00 0.00 34.50 29.51 2fwk s PRO 111 CO -0.07 -3.72 0.00 0.41 -0.33 0.00 0.00 177.00 173.30 2fwk n GLY 112 N 6.68 0.85 0.00 0.52 0.00 -1.24 -5.02 105.19 106.98 2fwk n GLY 112 Ca 0.41 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2fwk n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93