#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mfn s LEU 2 N 0.00 2.10 0.64 0.99 1.43 -1.26 -5.04 118.68 117.54 2mfn s LEU 2 Ca 0.00 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 2mfn s LEU 2 Cb 0.00 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.77 2mfn s LEU 2 CO 0.00 0.02 1.04 -1.81 0.23 0.00 0.00 176.35 175.83 2mfn s ASP 3 N -0.72 5.94 -0.14 2.29 1.01 -1.26 -4.13 116.67 119.66 2mfn s ASP 3 Ca 0.00 1.52 -0.16 0.00 0.71 0.00 0.00 52.55 54.63 2mfn s ASP 3 Cb -0.06 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 2mfn s ASP 3 CO 0.00 -1.06 0.37 -0.55 0.21 0.00 0.00 175.17 174.14 2mfn s SER 4 N -3.88 6.54 -0.27 0.27 0.15 -1.26 -4.66 113.70 110.58 2mfn s SER 4 Ca 0.57 0.64 -0.28 0.00 0.70 0.00 0.00 55.95 57.58 2mfn s SER 4 Cb -0.12 -2.23 -0.32 0.00 -1.71 0.00 0.00 66.02 61.64 2mfn s SER 4 CO 0.52 0.05 1.67 -0.81 1.20 0.00 0.00 173.24 175.87 2mfn n PRO 5 N 3.63 0.02 0.00 5.44 -0.04 -1.26 -4.84 135.00 137.95 2mfn n PRO 5 Ca -0.10 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.24 2mfn n PRO 5 Cb 0.52 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 2mfn n PRO 5 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2mfn n THR 6 N 7.34 0.00 -1.51 0.52 -2.24 -1.26 -3.90 114.28 113.23 2mfn n THR 6 Ca 0.43 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 62.11 2mfn n THR 6 Cb 0.43 -0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 67.90 2mfn n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2mfn n GLY 7 N 4.89 0.82 3.70 3.38 0.00 -1.26 0.07 105.19 116.78 2mfn n GLY 7 Ca 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 2mfn n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2mfn n PHE 8 N -3.06 2.58 -3.69 1.61 -0.00 -1.26 -4.21 117.46 109.44 2mfn n PHE 8 Ca -0.10 0.13 -0.13 0.00 -0.00 0.00 0.00 57.45 57.36 2mfn n PHE 8 Cb 0.38 -2.62 -0.13 0.00 -0.00 0.00 0.00 39.48 37.11 2mfn n PHE 8 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2mfn s ASP 9 N 1.04 0.05 -0.18 -2.13 -1.08 0.18 -4.96 116.67 109.58 2mfn s ASP 9 Ca 0.76 0.62 -0.08 0.00 -0.52 0.00 0.00 52.55 53.34 2mfn s ASP 9 Cb -0.57 0.66 -0.04 0.00 -1.46 0.00 0.00 42.92 41.51 2mfn s ASP 9 CO 0.35 -0.21 0.07 -0.94 0.52 0.00 0.00 175.17 174.96 2mfn s SER 10 N 1.99 5.71 0.09 -0.34 1.04 -1.26 -1.12 113.70 119.81 2mfn s SER 10 Ca -0.03 0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.49 2mfn s SER 10 Cb -0.11 -1.97 0.01 0.00 0.10 0.00 0.00 66.02 64.04 2mfn s SER 10 CO -0.09 0.18 0.16 -1.54 0.98 0.00 0.00 173.24 172.93 2mfn n SER 11 N 3.48 -0.46 -3.88 7.02 3.41 -1.01 -4.92 113.62 117.26 2mfn n SER 11 Ca -0.17 -1.43 -0.24 0.00 -0.26 0.00 0.00 58.87 56.78 2mfn n SER 11 Cb 0.52 0.80 -0.00 0.00 -0.26 0.00 0.00 64.21 65.26 2mfn n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2mfn n ASP 12 N -1.53 -0.58 -4.69 4.04 8.00 -1.26 -1.81 116.55 118.73 2mfn n ASP 12 Ca -0.01 -0.95 -0.40 0.00 0.71 0.00 0.00 54.79 54.14 2mfn n ASP 12 Cb 0.15 -3.36 -0.05 0.00 -0.02 0.00 0.00 41.12 37.83 2mfn n ASP 12 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2mfn s ILE 13 N -3.87 5.04 0.30 0.53 1.01 -1.26 -0.92 121.20 122.04 2mfn s ILE 13 Ca 0.01 1.26 0.09 0.00 0.00 0.00 0.00 60.65 62.01 2mfn s ILE 13 Cb -0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 2mfn s ILE 13 CO 0.87 0.18 0.02 0.42 0.00 0.00 0.00 174.94 176.43 2mfn s THR 14 N 1.42 3.09 0.09 2.92 -4.23 1.73 -4.82 115.64 115.83 2mfn s THR 14 Ca 0.31 -1.90 -0.25 0.00 -1.18 0.00 0.00 61.69 58.67 2mfn s THR 14 Cb -0.16 -2.84 -0.16 0.00 1.34 0.00 0.00 72.50 70.68 2mfn s THR 14 CO 0.13 -0.29 1.71 0.00 -0.54 0.00 0.00 174.62 175.63 2mfn h ALA 15 N 1.81 -0.21 -0.03 3.99 0.00 -1.75 -2.95 119.26 120.12 2mfn h ALA 15 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2mfn h ALA 15 Cb 1.25 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2mfn h ALA 15 CO 0.63 -0.62 -0.01 0.09 0.00 0.00 0.00 179.25 179.34 2mfn n ASN 16 N -5.18 2.64 -3.74 0.00 4.13 -1.26 -3.56 115.26 108.28 2mfn n ASN 16 Ca -0.09 -1.87 -0.12 0.00 1.68 0.00 0.00 54.58 54.18 2mfn n ASN 16 Cb 0.11 0.01 -0.07 0.00 -1.54 0.00 0.00 39.78 38.29 2mfn n ASN 16 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2mfn s SER 17 N -2.01 -0.15 -0.09 6.41 0.01 -1.11 -1.28 113.70 115.48 2mfn s SER 17 Ca 0.30 -0.17 -0.31 0.00 1.31 0.00 0.00 55.95 57.08 2mfn s SER 17 Cb 0.20 0.37 0.09 0.00 0.21 0.00 0.00 66.02 66.89 2mfn s SER 17 CO 0.31 -0.63 0.79 0.72 0.41 0.00 0.00 173.24 174.85 2mfn s PHE 18 N -2.58 -0.56 0.07 2.43 -0.12 -0.93 0.48 117.98 116.78 2mfn s PHE 18 Ca -0.05 0.94 -0.12 0.00 -0.05 0.00 0.00 56.93 57.65 2mfn s PHE 18 Cb -0.01 0.43 -0.06 0.00 -0.63 0.00 0.00 43.02 42.75 2mfn s PHE 18 CO -0.03 -0.52 0.44 0.99 -0.05 0.00 0.00 175.22 176.05 2mfn s THR 19 N -1.20 5.02 -0.06 -4.49 2.01 -0.09 -1.80 115.64 115.02 2mfn s THR 19 Ca -0.08 0.65 0.04 0.00 0.31 0.00 0.00 61.69 62.61 2mfn s THR 19 Cb -0.00 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 2mfn s THR 19 CO 0.07 0.36 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.49 2mfn s VAL 20 N -1.32 2.71 0.07 3.82 1.01 -0.31 -2.40 120.40 123.98 2mfn s VAL 20 Ca 0.32 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.51 2mfn s VAL 20 Cb -0.15 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 2mfn s VAL 20 CO 0.17 0.57 -0.14 -1.00 0.00 0.00 0.00 175.10 174.70 2mfn s HIS 21 N -0.40 1.23 0.14 5.22 3.76 -0.28 -1.86 115.29 123.10 2mfn s HIS 21 Ca 0.04 -0.45 -0.18 0.00 -0.15 0.00 0.00 55.06 54.32 2mfn s HIS 21 Cb -0.12 -0.70 0.05 0.00 1.11 0.00 0.00 32.58 32.92 2mfn s HIS 21 CO 0.02 0.06 0.46 1.67 -0.85 0.00 0.00 174.74 176.10 2mfn s TRP 22 N -1.22 -0.31 0.43 1.40 -2.14 -1.02 -0.65 118.94 115.43 2mfn s TRP 22 Ca -0.01 0.02 -0.04 0.00 2.66 0.00 0.00 56.10 58.73 2mfn s TRP 22 Cb -0.10 0.35 -0.04 0.00 -3.10 0.00 0.00 33.47 30.59 2mfn s TRP 22 CO 0.02 -0.75 0.70 0.08 -2.66 0.00 0.00 176.95 174.35 2mfn s VAL 23 N -3.79 4.97 -0.11 -0.66 1.01 0.11 -4.83 120.40 117.10 2mfn s VAL 23 Ca 0.02 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 2mfn s VAL 23 Cb 0.01 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2mfn s VAL 23 CO -0.12 -0.72 0.36 0.00 0.00 0.00 0.00 175.10 174.62 2mfn s ALA 24 N -2.56 3.59 0.70 5.51 0.00 -1.26 -4.23 121.76 123.51 2mfn s ALA 24 Ca 0.45 -0.34 -0.17 0.00 0.00 0.00 0.00 51.96 51.91 2mfn s ALA 24 Cb -0.10 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.59 2mfn s ALA 24 CO 0.41 0.17 1.25 -0.35 0.00 0.00 0.00 175.76 177.24 2mfn n PRO 25 N 3.17 0.82 -0.23 0.00 -0.04 -1.26 -4.92 135.00 132.54 2mfn n PRO 25 Ca -0.11 0.34 -0.09 0.00 -0.04 0.00 0.00 63.50 63.60 2mfn n PRO 25 Cb 0.52 -2.49 0.03 0.00 -0.04 0.00 0.00 33.50 31.52 2mfn n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2mfn h ARG 26 N 0.09 1.10 -7.04 0.54 3.08 -1.97 -3.44 114.38 106.74 2mfn h ARG 26 Ca -0.49 -0.33 -0.52 0.00 0.07 0.00 0.00 59.98 58.71 2mfn h ARG 26 Cb 1.33 -0.11 0.09 0.00 0.08 0.00 0.00 29.97 31.35 2mfn h ARG 26 CO 0.51 1.04 0.49 0.00 -1.07 0.00 0.00 179.97 180.94 2mfn s ALA 27 N -5.10 2.82 0.34 0.04 0.00 -1.26 -4.95 121.76 113.65 2mfn s ALA 27 Ca -0.12 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.55 2mfn s ALA 27 Cb 0.14 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.72 2mfn s ALA 27 CO 0.86 -0.89 1.48 -0.35 0.00 0.00 0.00 175.76 176.85 2mfn n PRO 28 N -0.93 2.54 -4.33 0.00 -0.04 -1.26 -5.00 135.00 125.98 2mfn n PRO 28 Ca 0.10 0.90 -0.17 0.00 -0.04 0.00 0.00 63.50 64.28 2mfn n PRO 28 Cb 0.48 -2.61 -0.10 0.00 -0.04 0.00 0.00 33.50 31.23 2mfn n PRO 28 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2mfn s ILE 29 N -0.75 0.80 -2.37 0.52 -4.36 -1.26 -4.90 121.20 108.88 2mfn s ILE 29 Ca 0.57 -2.01 0.19 0.00 -0.26 0.00 0.00 60.65 59.15 2mfn s ILE 29 Cb -0.51 -2.51 0.14 0.00 1.25 0.00 0.00 42.46 40.83 2mfn s ILE 29 CO 0.59 -0.15 1.10 0.35 0.24 0.00 0.00 174.94 177.07 2mfn n THR 30 N -0.46 0.00 -0.07 8.37 -2.24 -0.98 -4.96 114.28 113.94 2mfn n THR 30 Ca -0.03 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2mfn n THR 30 Cb 0.65 1.39 0.00 0.00 -2.10 0.00 0.00 70.33 70.27 2mfn n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2mfn n GLY 31 N 1.12 0.93 3.25 3.38 0.00 -1.24 -4.37 105.19 108.26 2mfn n GLY 31 Ca 0.11 -1.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.06 2mfn n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2mfn s TYR 32 N -1.67 1.37 -0.15 1.61 2.02 -0.72 -3.22 117.35 116.59 2mfn s TYR 32 Ca 0.00 -0.63 -0.03 0.00 -0.37 0.00 0.00 57.07 56.04 2mfn s TYR 32 Cb 0.00 -0.70 -0.02 0.00 -0.40 0.00 0.00 41.96 40.84 2mfn s TYR 32 CO 0.00 0.14 -0.06 0.42 -1.57 0.00 0.00 175.55 174.49 2mfn s ILE 33 N -2.64 3.73 -0.18 2.71 -1.09 -0.10 -1.56 121.20 122.06 2mfn s ILE 33 Ca 0.13 -0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 58.13 2mfn s ILE 33 Cb -0.02 -2.62 0.01 0.00 -1.58 0.00 0.00 42.46 38.25 2mfn s ILE 33 CO 0.02 0.50 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.45 2mfn s ILE 34 N 0.35 2.45 -0.04 2.92 -1.09 0.70 -1.50 121.20 124.99 2mfn s ILE 34 Ca -0.06 -0.81 0.06 0.00 -2.23 0.00 0.00 60.65 57.61 2mfn s ILE 34 Cb -0.15 -2.05 -0.01 0.00 -1.58 0.00 0.00 42.46 38.67 2mfn s ILE 34 CO 0.04 0.51 -0.23 -0.13 -1.23 0.00 0.00 174.94 173.89 2mfn s ARG 35 N 1.23 2.13 -0.01 2.79 0.52 -0.68 0.27 118.95 125.20 2mfn s ARG 35 Ca 0.03 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.42 2mfn s ARG 35 Cb -0.14 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.42 2mfn s ARG 35 CO -0.08 0.41 -0.02 -3.38 0.02 0.00 0.00 175.30 172.25 2mfn s HIS 36 N -0.30 0.23 -0.02 -0.53 -3.43 -1.03 -0.46 115.29 109.76 2mfn s HIS 36 Ca 0.02 -0.04 -0.29 0.00 -0.80 0.00 0.00 55.06 53.95 2mfn s HIS 36 Cb -0.11 -0.17 0.10 0.00 -1.43 0.00 0.00 32.58 30.97 2mfn s HIS 36 CO 0.01 -0.02 0.91 -3.38 -2.00 0.00 0.00 174.74 170.27 2mfn s HIS 37 N 0.07 -0.33 0.45 0.38 -3.43 -0.56 -3.23 115.29 108.64 2mfn s HIS 37 Ca -0.00 0.20 -0.13 0.00 -0.80 0.00 0.00 55.06 54.32 2mfn s HIS 37 Cb -0.03 0.54 -0.07 0.00 -1.43 0.00 0.00 32.58 31.59 2mfn s HIS 37 CO -0.00 -0.52 0.87 0.00 -2.00 0.00 0.00 174.74 173.08 2mfn s ALA 38 N -3.07 3.22 0.43 -1.38 0.00 -1.26 0.07 121.76 119.76 2mfn s ALA 38 Ca 0.05 -0.02 0.14 0.00 0.00 0.00 0.00 51.96 52.13 2mfn s ALA 38 Cb -0.01 -2.90 0.94 0.00 0.00 0.00 0.00 23.12 21.15 2mfn s ALA 38 CO -0.09 -0.11 1.95 1.05 0.00 0.00 0.00 175.76 178.57 2mfn h GLU 39 N 1.11 0.00 -0.46 0.00 4.11 -1.90 -1.48 114.58 115.96 2mfn h GLU 39 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2mfn h GLU 39 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2mfn h GLU 39 CO 0.63 0.23 0.00 0.72 0.07 0.00 0.00 179.01 180.65 2mfn n HIS 40 N -4.27 1.41 -1.53 2.06 8.25 -1.26 -4.99 115.22 114.90 2mfn n HIS 40 Ca -0.02 -0.74 -0.29 0.00 -0.26 0.00 0.00 57.72 56.40 2mfn n HIS 40 Cb 0.28 -0.34 0.11 0.00 1.12 0.00 0.00 29.99 31.16 2mfn n HIS 40 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2mfn s SER 41 N -1.25 4.00 0.68 0.41 1.04 -0.56 -5.02 113.70 113.01 2mfn s SER 41 Ca 0.47 1.16 -0.12 0.00 0.48 0.00 0.00 55.95 57.94 2mfn s SER 41 Cb 0.35 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.64 2mfn s SER 41 CO 0.15 -2.26 1.06 0.68 0.98 0.00 0.00 173.24 173.86 2mfn s VAL 42 N -3.20 3.86 0.00 5.02 -7.23 -1.26 -4.79 120.40 112.80 2mfn s VAL 42 Ca 0.62 0.68 0.00 0.00 -1.81 0.00 0.00 61.98 61.47 2mfn s VAL 42 Cb -0.15 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.47 2mfn s VAL 42 CO 0.54 -0.71 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 2mfn n GLY 43 N -1.59 0.18 2.70 2.32 0.00 -1.26 -3.82 105.19 103.73 2mfn n GLY 43 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2mfn n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2mfn n ARG 44 N 1.33 3.08 -1.69 1.61 1.74 -1.26 -5.07 116.66 116.41 2mfn n ARG 44 Ca 0.00 -4.56 -0.44 0.00 -0.77 0.00 0.00 57.85 52.08 2mfn n ARG 44 Cb 0.00 -2.16 -0.04 0.00 -1.02 0.00 0.00 32.46 29.24 2mfn n ARG 44 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2mfn n PRO 45 N -0.30 2.52 -2.50 5.56 -0.04 -1.25 -4.95 135.00 134.03 2mfn n PRO 45 Ca 0.33 0.91 -0.34 0.00 -0.04 0.00 0.00 63.50 64.36 2mfn n PRO 45 Cb 0.54 -2.76 -0.03 0.00 -0.04 0.00 0.00 33.50 31.20 2mfn n PRO 45 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2mfn s ARG 46 N 2.31 3.74 -0.16 0.54 0.52 -1.20 -4.94 118.95 119.76 2mfn s ARG 46 Ca 0.82 1.40 0.02 0.00 -0.52 0.00 0.00 55.73 57.45 2mfn s ARG 46 Cb -0.57 -2.08 0.02 0.00 0.52 0.00 0.00 34.95 32.83 2mfn s ARG 46 CO 0.39 -0.49 -0.20 1.14 0.02 0.00 0.00 175.30 176.16 2mfn s GLN 47 N -3.24 2.90 -0.10 3.54 -2.07 -1.26 -2.45 119.66 116.98 2mfn s GLN 47 Ca 0.68 -0.80 0.02 0.00 -1.82 0.00 0.00 55.36 53.44 2mfn s GLN 47 Cb -0.17 -2.45 0.01 0.00 -1.09 0.00 0.00 33.01 29.31 2mfn s GLN 47 CO 0.21 -0.14 -0.15 -0.51 -1.32 0.00 0.00 175.29 173.39 2mfn s ASP 48 N 1.13 2.35 0.05 12.60 1.01 0.76 -4.97 116.67 129.59 2mfn s ASP 48 Ca 0.00 -0.41 0.04 0.00 0.71 0.00 0.00 52.55 52.89 2mfn s ASP 48 Cb -0.14 -1.05 -0.04 0.00 1.01 0.00 0.00 42.92 42.71 2mfn s ASP 48 CO -0.08 0.02 -0.01 -0.13 0.21 0.00 0.00 175.17 175.17 2mfn s ARG 49 N 0.96 2.61 0.06 8.23 1.81 -1.26 0.25 118.95 131.62 2mfn s ARG 49 Ca -0.08 -0.75 0.07 0.00 -1.72 0.00 0.00 55.73 53.25 2mfn s ARG 49 Cb -0.15 -2.57 -0.03 0.00 -0.45 0.00 0.00 34.95 31.75 2mfn s ARG 49 CO -0.01 0.58 -0.18 0.14 -0.68 0.00 0.00 175.30 175.15 2mfn s VAL 50 N -1.18 1.44 0.83 3.52 -7.23 -0.60 -4.85 120.40 112.33 2mfn s VAL 50 Ca 0.22 -1.26 -0.11 0.00 -1.81 0.00 0.00 61.98 59.02 2mfn s VAL 50 Cb -0.12 -1.30 0.10 0.00 0.56 0.00 0.00 36.38 35.62 2mfn s VAL 50 CO 0.14 0.00 1.12 -2.16 -0.31 0.00 0.00 175.10 173.89 2mfn s PRO 51 N -1.47 1.69 0.42 4.82 0.05 -1.26 -1.76 135.00 137.49 2mfn s PRO 51 Ca 0.04 1.39 0.09 0.00 0.05 0.00 0.00 61.00 62.57 2mfn s PRO 51 Cb -0.09 -1.82 0.92 0.00 0.05 0.00 0.00 34.50 33.57 2mfn s PRO 51 CO 0.02 -2.10 2.05 -1.00 0.05 0.00 0.00 177.00 176.02 2mfn h PRO 52 N -1.39 0.47 0.00 0.56 0.13 -1.87 -1.01 132.00 128.88 2mfn h PRO 52 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2mfn h PRO 52 Cb 1.25 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2mfn h PRO 52 CO 0.47 0.31 0.00 -1.13 -0.23 0.00 0.00 178.00 177.42 2mfn n SER 53 N -4.48 0.40 -4.47 1.44 3.41 -1.26 -4.49 113.62 104.17 2mfn n SER 53 Ca 0.04 0.60 -0.43 0.00 -0.26 0.00 0.00 58.87 58.82 2mfn n SER 53 Cb 0.11 -0.68 -0.10 0.00 -0.26 0.00 0.00 64.21 63.28 2mfn n SER 53 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2mfn s ARG 54 N -3.19 3.02 0.00 4.33 1.81 -0.38 -4.88 118.95 119.66 2mfn s ARG 54 Ca 0.05 -0.98 0.24 0.00 -1.72 0.00 0.00 55.73 53.32 2mfn s ARG 54 Cb 0.09 -3.96 0.16 0.00 -0.45 0.00 0.00 34.95 30.79 2mfn s ARG 54 CO 0.34 -0.72 1.23 0.27 -0.68 0.00 0.00 175.30 175.74 2mfn n ASN 55 N 5.16 2.64 -3.87 0.23 0.23 -1.26 -4.75 115.26 113.65 2mfn n ASN 55 Ca -0.11 -1.83 -0.15 0.00 -0.53 0.00 0.00 54.58 51.96 2mfn n ASN 55 Cb 0.47 0.14 -0.15 0.00 -2.08 0.00 0.00 39.78 38.17 2mfn n ASN 55 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2mfn s SER 56 N -2.15 0.30 -0.03 0.53 1.04 -1.26 -2.44 113.70 109.69 2mfn s SER 56 Ca 0.25 -0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.69 2mfn s SER 56 Cb 0.19 -0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.22 2mfn s SER 56 CO 0.39 -0.02 -0.12 -0.51 0.98 0.00 0.00 173.24 173.95 2mfn s ILE 57 N 0.37 1.02 -0.35 -1.02 2.07 -0.78 -4.93 121.20 117.58 2mfn s ILE 57 Ca -0.03 -0.51 -0.13 0.00 -1.41 0.00 0.00 60.65 58.57 2mfn s ILE 57 Cb -0.06 -0.88 -0.01 0.00 0.13 0.00 0.00 42.46 41.64 2mfn s ILE 57 CO -0.01 0.30 0.24 -0.89 -1.91 0.00 0.00 174.94 172.67 2mfn s THR 58 N 0.04 5.21 0.27 4.00 2.01 -1.26 -1.16 115.64 124.75 2mfn s THR 58 Ca -0.01 -0.30 -0.12 0.00 0.31 0.00 0.00 61.69 61.56 2mfn s THR 58 Cb -0.09 -3.71 -0.08 0.00 0.01 0.00 0.00 72.50 68.64 2mfn s THR 58 CO 0.01 -0.04 0.64 -0.76 -0.69 0.00 0.00 174.62 173.77 2mfn s LEU 59 N 1.70 4.12 0.35 4.42 1.43 -0.75 -4.90 118.68 125.06 2mfn s LEU 59 Ca 0.06 1.09 0.05 0.00 -1.03 0.00 0.00 54.13 54.30 2mfn s LEU 59 Cb -0.18 -3.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.15 2mfn s LEU 59 CO 0.10 -0.13 0.21 0.42 0.23 0.00 0.00 176.35 177.17 2mfn s THR 60 N -1.89 0.24 -1.34 5.49 -4.23 -1.26 -2.18 115.64 110.47 2mfn s THR 60 Ca 0.50 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 2mfn s THR 60 Cb -0.11 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.31 2mfn s THR 60 CO 0.19 0.00 0.91 0.59 -0.54 0.00 0.00 174.62 175.78 2mfn n ASN 61 N -1.34 -3.01 -4.68 3.99 5.03 -0.88 -4.90 115.26 109.48 2mfn n ASN 61 Ca 0.02 -0.72 -0.28 0.00 0.87 0.00 0.00 54.58 54.47 2mfn n ASN 61 Cb 0.64 -4.44 -0.08 0.00 -1.02 0.00 0.00 39.78 34.88 2mfn n ASN 61 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2mfn s LEU 62 N -6.83 3.38 -0.09 3.41 1.43 -0.40 -5.05 118.68 114.52 2mfn s LEU 62 Ca 0.24 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 2mfn s LEU 62 Cb -0.11 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 2mfn s LEU 62 CO 0.78 0.11 1.65 0.20 0.23 0.00 0.00 176.35 179.33 2mfn s ASN 63 N -2.75 6.60 0.18 2.29 0.01 -1.26 -4.33 114.94 115.68 2mfn s ASN 63 Ca 0.27 2.11 -0.32 0.00 -0.71 0.00 0.00 52.86 54.21 2mfn s ASN 63 Cb -0.10 -2.53 -0.11 0.00 0.41 0.00 0.00 41.25 38.92 2mfn s ASN 63 CO 0.19 -1.00 1.63 -2.16 -1.51 0.00 0.00 177.10 174.25 2mfn s PRO 64 N 4.18 4.18 -0.27 -0.60 0.05 -1.23 -3.47 135.00 137.83 2mfn s PRO 64 Ca 0.73 2.45 -0.01 0.00 0.05 0.00 0.00 61.00 64.22 2mfn s PRO 64 Cb -0.32 -3.14 -0.02 0.00 0.05 0.00 0.00 34.50 31.08 2mfn s PRO 64 CO 0.29 -0.66 0.24 0.41 0.05 0.00 0.00 177.00 177.33 2mfn n GLY 65 N 3.84 0.24 2.94 0.56 0.00 0.65 -4.51 105.19 108.91 2mfn n GLY 65 Ca 0.15 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2mfn n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2mfn s THR 66 N -3.09 -0.02 -0.31 2.61 2.01 -0.99 -4.88 115.64 110.96 2mfn s THR 66 Ca 0.11 0.09 -0.20 0.00 0.31 0.00 0.00 61.69 62.00 2mfn s THR 66 Cb -0.01 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.32 2mfn s THR 66 CO 0.20 0.03 0.60 -1.61 -0.69 0.00 0.00 174.62 173.16 2mfn s GLU 67 N 0.55 3.86 0.32 4.92 2.02 -1.26 -0.20 118.70 128.90 2mfn s GLU 67 Ca -0.04 0.21 0.03 0.00 0.02 0.00 0.00 54.97 55.19 2mfn s GLU 67 Cb -0.06 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 2mfn s GLU 67 CO -0.02 -0.58 0.13 1.52 0.02 0.00 0.00 175.26 176.33 2mfn s TYR 68 N 2.56 1.67 -0.11 1.61 -0.85 -0.34 -4.26 117.35 117.63 2mfn s TYR 68 Ca 0.24 -1.27 -0.02 0.00 -0.52 0.00 0.00 57.07 55.50 2mfn s TYR 68 Cb -0.15 -0.97 -0.03 0.00 0.38 0.00 0.00 41.96 41.19 2mfn s TYR 68 CO 0.12 -0.39 -0.03 0.08 -1.52 0.00 0.00 175.55 173.81 2mfn s VAL 69 N -3.52 4.00 -0.09 -3.49 1.01 0.11 -2.15 120.40 116.27 2mfn s VAL 69 Ca 0.34 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.00 2mfn s VAL 69 Cb 0.05 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.75 2mfn s VAL 69 CO 0.16 0.56 -0.19 -0.69 0.00 0.00 0.00 175.10 174.94 2mfn s VAL 70 N -0.42 1.69 -0.03 2.92 1.01 -0.75 -1.50 120.40 123.31 2mfn s VAL 70 Ca 0.07 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.30 2mfn s VAL 70 Cb -0.12 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2mfn s VAL 70 CO 0.02 0.48 -0.18 -0.94 0.00 0.00 0.00 175.10 174.48 2mfn s SER 71 N 0.48 3.75 -0.18 3.32 1.04 0.39 -1.92 113.70 120.58 2mfn s SER 71 Ca -0.17 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 55.96 2mfn s SER 71 Cb -0.17 -0.68 0.02 0.00 0.10 0.00 0.00 66.02 65.29 2mfn s SER 71 CO 0.07 0.32 -0.20 -0.63 0.98 0.00 0.00 173.24 173.78 2mfn s ILE 72 N -0.74 2.07 -0.12 -1.02 -1.09 0.31 -1.69 121.20 118.91 2mfn s ILE 72 Ca 0.12 -0.94 0.01 0.00 -2.23 0.00 0.00 60.65 57.61 2mfn s ILE 72 Cb -0.10 -1.86 -0.01 0.00 -1.58 0.00 0.00 42.46 38.90 2mfn s ILE 72 CO 0.01 0.54 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.48 2mfn s ILE 73 N 1.29 2.84 -0.13 2.92 -1.09 -0.56 -1.04 121.20 125.43 2mfn s ILE 73 Ca 0.05 -0.74 -0.17 0.00 -2.23 0.00 0.00 60.65 57.56 2mfn s ILE 73 Cb -0.13 -2.17 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 2mfn s ILE 73 CO -0.13 0.53 0.43 0.00 -1.23 0.00 0.00 174.94 174.55 2mfn s ALA 74 N 0.35 3.50 0.16 9.38 0.00 -1.26 -0.93 121.76 132.97 2mfn s ALA 74 Ca -0.13 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 51.64 2mfn s ALA 74 Cb -0.16 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2mfn s ALA 74 CO 0.06 0.01 -0.11 0.14 0.00 0.00 0.00 175.76 175.86 2mfn s VAL 75 N 0.61 1.35 -0.22 0.00 -7.23 -1.20 -0.39 120.40 113.31 2mfn s VAL 75 Ca 0.24 -2.11 0.23 0.00 -1.81 0.00 0.00 61.98 58.53 2mfn s VAL 75 Cb -0.15 -1.91 0.49 0.00 0.56 0.00 0.00 36.38 35.38 2mfn s VAL 75 CO 0.09 -0.70 1.13 -3.20 -0.31 0.00 0.00 175.10 172.11 2mfn n ASN 76 N -0.25 1.41 0.00 4.85 5.15 -0.55 -2.33 115.26 123.54 2mfn n ASN 76 Ca -0.10 -2.02 0.00 0.00 -0.60 0.00 0.00 54.58 51.86 2mfn n ASN 76 Cb 0.60 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 2mfn n ASN 76 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2mfn n GLY 77 N -0.45 0.88 0.94 8.20 0.00 -1.26 -4.20 105.19 109.31 2mfn n GLY 77 Ca 0.06 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.45 2mfn n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2mfn n ARG 78 N 0.00 2.30 -4.20 1.61 5.12 -1.26 -4.93 116.66 115.30 2mfn n ARG 78 Ca 0.00 -1.89 -0.29 0.00 -1.93 0.00 0.00 57.85 53.74 2mfn n ARG 78 Cb 0.00 -1.46 -0.09 0.00 -1.16 0.00 0.00 32.46 29.75 2mfn n ARG 78 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2mfn s GLU 79 N -2.00 2.30 0.11 5.56 2.02 -1.26 -5.13 118.70 120.31 2mfn s GLU 79 Ca 0.28 -1.02 0.06 0.00 0.02 0.00 0.00 54.97 54.31 2mfn s GLU 79 Cb 0.20 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 2mfn s GLU 79 CO 0.30 0.49 -0.14 -1.21 0.02 0.00 0.00 175.26 174.72 2mfn s GLU 80 N -2.50 0.99 0.52 1.61 2.02 -1.26 -1.48 118.70 118.61 2mfn s GLU 80 Ca 0.24 -1.20 0.07 0.00 0.02 0.00 0.00 54.97 54.11 2mfn s GLU 80 Cb -0.11 -0.89 0.04 0.00 0.10 0.00 0.00 34.13 33.27 2mfn s GLU 80 CO 0.16 0.18 0.48 0.45 0.02 0.00 0.00 175.26 176.55 2mfn s SER 81 N -2.35 4.81 0.18 -0.19 0.15 0.47 -4.51 113.70 112.26 2mfn s SER 81 Ca 0.07 -1.06 -0.31 0.00 0.70 0.00 0.00 55.95 55.35 2mfn s SER 81 Cb -0.06 0.19 -0.10 0.00 -1.71 0.00 0.00 66.02 64.35 2mfn s SER 81 CO 0.03 -1.06 1.49 -2.84 1.20 0.00 0.00 173.24 172.06 2mfn s PRO 82 N -4.33 4.26 0.38 5.44 0.02 -1.26 -4.61 135.00 134.91 2mfn s PRO 82 Ca 0.43 2.28 -0.27 0.00 0.02 0.00 0.00 61.00 63.45 2mfn s PRO 82 Cb -0.03 -3.16 -0.11 0.00 0.02 0.00 0.00 34.50 31.22 2mfn s PRO 82 CO 0.26 -0.51 1.37 -0.35 -0.33 0.00 0.00 177.00 177.44 2mfn n PRO 83 N 3.50 2.28 -4.10 5.54 -0.04 -1.26 -4.62 135.00 136.29 2mfn n PRO 83 Ca 0.11 0.80 -0.33 0.00 -0.04 0.00 0.00 63.50 64.05 2mfn n PRO 83 Cb 0.40 -2.49 -0.16 0.00 -0.04 0.00 0.00 33.50 31.21 2mfn n PRO 83 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2mfn s LEU 84 N -1.70 2.56 -0.01 1.53 2.96 -0.20 -5.00 118.68 118.82 2mfn s LEU 84 Ca 0.57 -0.89 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 2mfn s LEU 84 Cb -0.51 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 2mfn s LEU 84 CO 0.61 -0.06 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.80 2mfn s ILE 85 N 1.23 1.22 0.09 6.68 1.01 -1.26 0.11 121.20 130.28 2mfn s ILE 85 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 2mfn s ILE 85 Cb -0.15 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 2mfn s ILE 85 CO -0.10 0.34 0.03 -0.83 0.00 0.00 0.00 174.94 174.38 2mfn s GLY 86 N -0.36 0.66 0.09 6.18 0.00 -0.81 -5.02 107.32 108.06 2mfn s GLY 86 Ca 0.06 -1.27 0.06 0.00 0.00 0.00 0.00 44.72 43.56 2mfn s GLY 86 CO -0.01 -1.29 -0.04 1.20 0.00 0.00 0.00 173.10 172.97 2mfn s GLN 87 N -3.97 2.40 0.06 2.90 -0.21 -1.26 -1.82 119.66 117.76 2mfn s GLN 87 Ca 0.14 -0.90 -0.11 0.00 0.02 0.00 0.00 55.36 54.51 2mfn s GLN 87 Cb 0.07 -2.46 0.01 0.00 1.00 0.00 0.00 33.01 31.64 2mfn s GLN 87 CO -0.05 0.53 0.25 -1.14 -2.12 0.00 0.00 175.29 172.76 2mfn s GLN 88 N -2.22 0.80 -0.14 2.91 0.74 -0.91 -4.97 119.66 115.86 2mfn s GLN 88 Ca 0.24 -0.67 0.02 0.00 0.05 0.00 0.00 55.36 55.00 2mfn s GLN 88 Cb -0.11 0.34 0.01 0.00 1.10 0.00 0.00 33.01 34.35 2mfn s GLN 88 CO 0.16 -0.25 -0.20 0.00 -0.55 0.00 0.00 175.29 174.45 2mfn s ALA 89 N -2.97 2.13 0.35 1.58 0.00 -1.26 -1.20 121.76 120.38 2mfn s ALA 89 Ca -0.02 -1.04 -0.27 0.00 0.00 0.00 0.00 51.96 50.64 2mfn s ALA 89 Cb 0.01 -1.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.03 2mfn s ALA 89 CO -0.06 -0.13 1.11 0.95 0.00 0.00 0.00 175.76 177.63 2mfn s THR 90 N 1.00 3.44 0.75 0.00 -4.23 0.72 -4.84 115.64 112.47 2mfn s THR 90 Ca -0.03 1.28 -0.15 0.00 -1.18 0.00 0.00 61.69 61.60 2mfn s THR 90 Cb -0.15 -3.74 0.05 0.00 1.34 0.00 0.00 72.50 70.00 2mfn s THR 90 CO -0.05 0.17 1.21 -0.69 -0.54 0.00 0.00 174.62 174.73 2mfn s VAL 91 N -1.38 2.22 0.40 2.29 1.01 -1.25 -2.36 120.40 121.34 2mfn s VAL 91 Ca 0.52 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.45 2mfn s VAL 91 Cb -0.29 -2.66 -0.09 0.00 0.00 0.00 0.00 36.38 33.34 2mfn s VAL 91 CO 0.37 -0.06 0.84 -0.94 0.00 0.00 0.00 175.10 175.30 2mfn s SER 92 N -2.04 6.74 0.41 3.32 1.04 -1.26 0.24 113.70 122.15 2mfn s SER 92 Ca 0.74 1.40 0.23 0.00 0.48 0.00 0.00 55.95 58.80 2mfn s SER 92 Cb -0.29 -2.43 0.29 0.00 0.10 0.00 0.00 66.02 63.69 2mfn s SER 92 CO 0.46 -0.34 1.54 -0.78 0.98 0.00 0.00 173.24 175.10 2mfn h ASP 93 N 1.76 0.00 -3.69 7.02 1.82 -1.94 -3.35 116.42 118.04 2mfn h ASP 93 Ca -0.48 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 55.66 2mfn h ASP 93 Cb 1.18 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.17 2mfn h ASP 93 CO 0.63 0.01 0.29 -0.63 -1.61 0.00 0.00 179.24 177.93 2mfn s ILE 94 N -3.22 4.20 0.05 2.25 1.01 -1.26 -4.67 121.20 119.56 2mfn s ILE 94 Ca 0.06 1.90 -0.01 0.00 0.00 0.00 0.00 60.65 62.60 2mfn s ILE 94 Cb 0.06 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.34 2mfn s ILE 94 CO 0.69 0.44 0.03 -2.65 0.00 0.00 0.00 174.94 173.45 2mfn n PRO 95 N 1.35 -1.86 -3.76 2.79 -0.01 -1.26 -4.65 135.00 127.60 2mfn n PRO 95 Ca -0.03 -0.05 -0.09 0.00 -0.01 0.00 0.00 63.50 63.32 2mfn n PRO 95 Cb 0.48 -0.07 -0.06 0.00 -0.01 0.00 0.00 33.50 33.84 2mfn n PRO 95 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 175.50 175.99 2mfn s ARG 96 N -2.89 0.94 -0.56 -0.52 3.52 -0.90 -4.91 118.95 113.61 2mfn s ARG 96 Ca 0.02 -0.85 -0.02 0.00 -0.13 0.00 0.00 55.73 54.75 2mfn s ARG 96 Cb -0.00 0.40 0.00 0.00 -1.56 0.00 0.00 34.95 33.79 2mfn s ARG 96 CO 0.02 -0.33 0.27 -3.47 -0.81 0.00 0.00 175.30 170.98 2mfn n ASP 97 N -0.13 -3.33 -4.56 -2.12 -0.08 -1.26 0.18 116.55 105.25 2mfn n ASP 97 Ca -0.15 -0.13 -0.39 0.00 -1.51 0.00 0.00 54.79 52.60 2mfn n ASP 97 Cb 0.63 -2.17 -0.03 0.00 2.34 0.00 0.00 41.12 41.89 2mfn n ASP 97 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2mfn s LEU 98 N -2.92 3.37 0.23 -2.67 0.20 -1.26 -4.23 118.68 111.40 2mfn s LEU 98 Ca 0.14 0.72 -0.11 0.00 0.69 0.00 0.00 54.13 55.56 2mfn s LEU 98 Cb -0.06 -2.81 -0.01 0.00 -0.43 0.00 0.00 46.19 42.88 2mfn s LEU 98 CO 0.17 -2.25 0.42 -1.61 -0.29 0.00 0.00 176.35 172.79 2mfn s GLU 99 N 6.79 1.47 -0.14 1.98 2.02 -1.08 -4.89 118.70 124.86 2mfn s GLU 99 Ca 0.75 -1.30 -0.02 0.00 0.02 0.00 0.00 54.97 54.42 2mfn s GLU 99 Cb -0.16 0.44 -0.03 0.00 0.10 0.00 0.00 34.13 34.48 2mfn s GLU 99 CO 0.25 -0.59 -0.06 0.08 0.02 0.00 0.00 175.26 174.96 2mfn s VAL 100 N -4.03 3.72 -0.12 2.63 1.01 -1.26 -1.84 120.40 120.51 2mfn s VAL 100 Ca 0.24 -0.43 0.20 0.00 0.00 0.00 0.00 61.98 61.99 2mfn s VAL 100 Cb 0.01 -2.60 -0.29 0.00 0.00 0.00 0.00 36.38 33.50 2mfn s VAL 100 CO 0.09 0.52 0.29 2.30 0.00 0.00 0.00 175.10 178.29 2mfn n ILE 101 N 3.29 0.75 -4.74 2.22 -5.35 -0.92 -4.92 119.36 109.69 2mfn n ILE 101 Ca -0.18 -0.69 -0.25 0.00 -0.27 0.00 0.00 62.75 61.37 2mfn n ILE 101 Cb 0.53 -0.26 -0.16 0.00 -1.74 0.00 0.00 39.64 38.01 2mfn n ILE 101 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2mfn s ALA 102 N -2.98 1.38 -0.22 -1.28 0.00 -1.26 -5.00 121.76 112.41 2mfn s ALA 102 Ca -0.09 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.26 2mfn s ALA 102 Cb 0.10 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.80 2mfn s ALA 102 CO 0.87 0.26 -0.14 0.45 0.00 0.00 0.00 175.76 177.20 2mfn s SER 103 N 0.02 3.81 0.18 0.00 0.15 -1.26 -1.21 113.70 115.38 2mfn s SER 103 Ca -0.02 -0.90 0.05 0.00 0.70 0.00 0.00 55.95 55.78 2mfn s SER 103 Cb -0.10 -1.55 -0.04 0.00 -1.71 0.00 0.00 66.02 62.62 2mfn s SER 103 CO 0.01 -0.08 0.15 0.42 1.20 0.00 0.00 173.24 174.94 2mfn s THR 104 N 1.25 4.49 0.41 6.45 -4.23 0.12 -5.00 115.64 119.13 2mfn s THR 104 Ca 0.00 -1.13 0.17 0.00 -1.18 0.00 0.00 61.69 59.55 2mfn s THR 104 Cb -0.16 -3.31 0.38 0.00 1.34 0.00 0.00 72.50 70.75 2mfn s THR 104 CO -0.08 -0.15 1.84 -0.65 -0.54 0.00 0.00 174.62 175.03 2mfn h PRO 105 N 2.24 0.41 0.00 3.99 0.10 -2.01 -2.73 132.00 134.00 2mfn h PRO 105 Ca -0.48 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.60 2mfn h PRO 105 Cb 1.21 -0.09 0.00 0.00 0.10 0.00 0.00 31.00 32.21 2mfn h PRO 105 CO 0.63 0.27 -0.14 0.25 0.10 0.00 0.00 178.00 179.11 2mfn n THR 106 N -4.53 0.88 -3.86 -1.15 -2.24 -1.26 -4.34 114.28 97.78 2mfn n THR 106 Ca 0.20 -1.02 -0.08 0.00 -2.27 0.00 0.00 64.05 60.89 2mfn n THR 106 Cb 0.71 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 2mfn n THR 106 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2mfn s SER 107 N -1.51 -0.25 0.03 3.42 1.04 -1.03 -3.12 113.70 112.27 2mfn s SER 107 Ca 0.11 -0.62 -0.07 0.00 0.48 0.00 0.00 55.95 55.85 2mfn s SER 107 Cb 0.10 0.70 -0.00 0.00 0.10 0.00 0.00 66.02 66.91 2mfn s SER 107 CO 0.01 -1.29 0.13 -0.76 0.98 0.00 0.00 173.24 172.31 2mfn s LEU 108 N -2.92 1.61 -0.23 2.42 1.43 0.07 0.14 118.68 121.20 2mfn s LEU 108 Ca 0.12 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.73 2mfn s LEU 108 Cb -0.05 0.72 -0.04 0.00 0.03 0.00 0.00 46.19 46.84 2mfn s LEU 108 CO 0.06 -0.48 0.12 -0.22 0.23 0.00 0.00 176.35 176.06 2mfn s LEU 109 N -1.90 3.94 0.14 1.79 0.20 -0.35 0.31 118.68 122.81 2mfn s LEU 109 Ca -0.08 0.06 0.08 0.00 0.69 0.00 0.00 54.13 54.88 2mfn s LEU 109 Cb -0.03 -2.04 -0.04 0.00 -0.43 0.00 0.00 46.19 43.65 2mfn s LEU 109 CO -0.03 0.08 -0.11 0.27 -0.29 0.00 0.00 176.35 176.28 2mfn s ILE 110 N 0.95 3.22 -0.10 6.68 -4.36 0.32 -2.16 121.20 125.75 2mfn s ILE 110 Ca 0.06 -1.48 -0.09 0.00 -0.26 0.00 0.00 60.65 58.87 2mfn s ILE 110 Cb -0.13 -2.55 0.03 0.00 1.25 0.00 0.00 42.46 41.05 2mfn s ILE 110 CO 0.03 0.00 0.27 -0.55 0.24 0.00 0.00 174.94 174.93 2mfn s SER 111 N -2.50 -0.27 0.09 4.36 0.15 -0.76 -1.35 113.70 113.41 2mfn s SER 111 Ca 0.23 0.52 -0.09 0.00 0.70 0.00 0.00 55.95 57.31 2mfn s SER 111 Cb -0.10 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2mfn s SER 111 CO 0.14 -0.10 0.21 -1.66 1.20 0.00 0.00 173.24 173.03 2mfn s TRP 112 N 0.10 0.12 -0.16 3.44 -2.14 -1.04 -2.64 118.94 116.62 2mfn s TRP 112 Ca -0.00 -0.54 -0.14 0.00 2.66 0.00 0.00 56.10 58.08 2mfn s TRP 112 Cb -0.02 -0.03 -0.05 0.00 -3.10 0.00 0.00 33.47 30.28 2mfn s TRP 112 CO 0.00 -0.56 0.30 -1.21 -2.66 0.00 0.00 176.95 172.82 2mfn s GLU 113 N -3.86 4.25 0.36 3.25 0.41 0.13 -4.75 118.70 118.49 2mfn s GLU 113 Ca 0.05 0.11 -0.29 0.00 -0.41 0.00 0.00 54.97 54.43 2mfn s GLU 113 Cb 0.05 -3.42 -0.11 0.00 -1.78 0.00 0.00 34.13 28.86 2mfn s GLU 113 CO -0.11 0.24 1.52 -0.35 -0.49 0.00 0.00 175.26 176.06 2mfn n PRO 114 N 3.57 2.68 0.00 0.39 -0.04 -1.26 -2.13 135.00 138.21 2mfn n PRO 114 Ca -0.12 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 2mfn n PRO 114 Cb 0.52 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 2mfn n PRO 114 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2mfn n PRO 115 N 0.90 0.81 -0.44 0.54 -0.04 -1.26 -4.85 135.00 130.66 2mfn n PRO 115 Ca 0.03 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.59 2mfn n PRO 115 Cb 0.38 0.00 0.31 0.00 -0.04 0.00 0.00 33.50 34.15 2mfn n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2mfn n ALA 116 N -3.00 2.64 -2.28 0.55 0.00 -1.26 -4.95 120.51 112.22 2mfn n ALA 116 Ca 0.00 -1.44 -0.16 0.00 0.00 0.00 0.00 53.44 51.85 2mfn n ALA 116 Cb 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 2mfn n ALA 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2mfn s VAL 117 N -1.40 1.35 0.55 0.00 -7.23 -1.26 -4.15 120.40 108.25 2mfn s VAL 117 Ca 0.46 -2.11 -0.19 0.00 -1.81 0.00 0.00 61.98 58.32 2mfn s VAL 117 Cb 0.27 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 35.24 2mfn s VAL 117 CO 0.26 -0.69 1.15 -0.94 -0.31 0.00 0.00 175.10 174.57 2mfn s SER 118 N -3.22 5.59 -0.02 4.85 1.04 -1.26 -5.03 113.70 115.65 2mfn s SER 118 Ca 0.19 2.23 0.03 0.00 0.48 0.00 0.00 55.95 58.88 2mfn s SER 118 Cb 0.02 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.55 2mfn s SER 118 CO 0.03 -1.31 -0.10 -0.69 0.98 0.00 0.00 173.24 172.14 2mfn s VAL 119 N -1.72 0.87 -0.04 5.02 1.01 -1.26 -4.68 120.40 119.60 2mfn s VAL 119 Ca 0.74 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 2mfn s VAL 119 Cb -0.26 -0.76 -0.17 0.00 0.00 0.00 0.00 36.38 35.20 2mfn s VAL 119 CO 0.28 0.26 1.00 0.03 0.00 0.00 0.00 175.10 176.68 2mfn h ARG 120 N 6.18 -0.20 -2.27 2.72 3.08 -0.74 -3.44 114.38 119.71 2mfn h ARG 120 Ca -0.33 0.01 0.19 0.00 0.07 0.00 0.00 59.98 59.93 2mfn h ARG 120 Cb 1.17 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.18 2mfn h ARG 120 CO 0.49 0.24 0.52 1.52 -1.07 0.00 0.00 179.97 181.67 2mfn s TYR 121 N -3.74 -0.11 -0.06 3.04 1.13 -1.09 -3.43 117.35 113.09 2mfn s TYR 121 Ca -0.14 -0.18 0.05 0.00 -1.41 0.00 0.00 57.07 55.39 2mfn s TYR 121 Cb 0.01 0.64 -0.01 0.00 -1.10 0.00 0.00 41.96 41.49 2mfn s TYR 121 CO 0.53 -0.79 -0.22 0.71 -2.51 0.00 0.00 175.55 173.27 2mfn s TYR 122 N -3.18 2.52 -0.23 -3.49 1.51 -0.97 -1.57 117.35 111.94 2mfn s TYR 122 Ca 0.13 -0.59 -0.12 0.00 -1.01 0.00 0.00 57.07 55.48 2mfn s TYR 122 Cb -0.01 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 40.17 2mfn s TYR 122 CO 0.02 -0.13 0.22 0.50 -1.11 0.00 0.00 175.55 175.05 2mfn s ARG 123 N -0.24 4.10 -0.12 -0.62 3.52 0.15 -0.06 118.95 125.68 2mfn s ARG 123 Ca -0.01 -0.15 -0.01 0.00 -0.13 0.00 0.00 55.73 55.44 2mfn s ARG 123 Cb -0.13 -3.54 -0.02 0.00 -1.56 0.00 0.00 34.95 29.69 2mfn s ARG 123 CO 0.03 0.03 -0.08 0.42 -0.81 0.00 0.00 175.30 174.89 2mfn s ILE 124 N 1.13 3.55 -0.00 4.11 1.01 -0.27 0.31 121.20 131.04 2mfn s ILE 124 Ca 0.10 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2mfn s ILE 124 Cb -0.14 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 2mfn s ILE 124 CO 0.05 0.54 0.05 0.42 0.00 0.00 0.00 174.94 176.01 2mfn s THR 125 N -0.05 4.54 -0.26 2.92 -4.23 0.61 -1.12 115.64 118.05 2mfn s THR 125 Ca -0.00 -0.47 -0.18 0.00 -1.18 0.00 0.00 61.69 59.86 2mfn s THR 125 Cb -0.14 -3.06 -0.03 0.00 1.34 0.00 0.00 72.50 70.62 2mfn s THR 125 CO 0.03 0.36 0.51 -0.31 -0.54 0.00 0.00 174.62 174.67 2mfn s TYR 126 N -1.15 3.27 -0.16 3.99 1.51 0.98 -2.45 117.35 123.33 2mfn s TYR 126 Ca 0.22 0.64 -0.05 0.00 -1.01 0.00 0.00 57.07 56.87 2mfn s TYR 126 Cb -0.12 -2.71 -0.03 0.00 -0.11 0.00 0.00 41.96 38.99 2mfn s TYR 126 CO 0.12 -0.27 -0.01 0.20 -1.11 0.00 0.00 175.55 174.48 2mfn s GLY 127 N 1.52 1.76 0.31 0.71 0.00 0.45 -2.66 107.32 109.40 2mfn s GLY 127 Ca 0.21 -0.81 0.07 0.00 0.00 0.00 0.00 44.72 44.19 2mfn s GLY 127 CO 0.09 -0.03 0.25 -0.54 0.00 0.00 0.00 173.10 172.88 2mfn s GLU 128 N 0.40 2.78 0.20 2.90 2.02 -1.26 0.84 118.70 126.58 2mfn s GLU 128 Ca -0.02 -1.22 0.16 0.00 0.02 0.00 0.00 54.97 53.90 2mfn s GLU 128 Cb -0.14 -2.50 0.68 0.00 0.10 0.00 0.00 34.13 32.28 2mfn s GLU 128 CO 0.02 0.20 0.70 0.25 0.02 0.00 0.00 175.26 176.46 2mfn n THR 129 N -1.30 -0.10 0.00 3.63 -2.24 0.32 -4.58 114.28 110.01 2mfn n THR 129 Ca -0.04 0.80 0.00 0.00 -2.27 0.00 0.00 64.05 62.54 2mfn n THR 129 Cb 0.59 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 2mfn n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2mfn n GLY 130 N -1.25 1.82 0.00 3.38 0.00 -1.26 -4.96 105.19 102.92 2mfn n GLY 130 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2mfn n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2mfn n GLY 131 N -0.65 1.56 0.56 -0.02 0.00 -1.26 -4.85 105.19 100.53 2mfn n GLY 131 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2mfn n GLY 131 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2mfn n ASN 132 N 0.00 0.90 -4.42 1.61 5.03 -1.26 -5.03 115.26 112.08 2mfn n ASN 132 Ca 0.00 -2.43 -0.37 0.00 0.87 0.00 0.00 54.58 52.65 2mfn n ASN 132 Cb 0.00 -0.30 -0.13 0.00 -1.02 0.00 0.00 39.78 38.33 2mfn n ASN 132 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2mfn s SER 133 N -1.82 5.07 0.78 6.41 0.15 -1.26 -5.09 113.70 117.93 2mfn s SER 133 Ca 0.17 -0.29 -0.14 0.00 0.70 0.00 0.00 55.95 56.39 2mfn s SER 133 Cb 0.16 -1.90 0.07 0.00 -1.71 0.00 0.00 66.02 62.64 2mfn s SER 133 CO -0.03 -0.06 1.19 -2.16 1.20 0.00 0.00 173.24 173.39 2mfn s PRO 134 N 1.59 1.86 0.51 5.44 0.05 -1.26 -4.79 135.00 138.41 2mfn s PRO 134 Ca 0.06 1.69 -0.20 0.00 0.05 0.00 0.00 61.00 62.61 2mfn s PRO 134 Cb -0.15 -1.81 -0.07 0.00 0.05 0.00 0.00 34.50 32.51 2mfn s PRO 134 CO 0.03 -2.03 1.06 0.14 0.05 0.00 0.00 177.00 176.25 2mfn s VAL 135 N -2.17 3.64 -0.05 -0.36 -7.23 -1.26 -4.91 120.40 108.06 2mfn s VAL 135 Ca 0.72 1.00 0.05 0.00 -1.81 0.00 0.00 61.98 61.95 2mfn s VAL 135 Cb -0.27 -3.40 -0.02 0.00 0.56 0.00 0.00 36.38 33.24 2mfn s VAL 135 CO 0.49 -0.24 -0.21 -1.10 -0.31 0.00 0.00 175.10 173.74 2mfn s GLN 136 N -3.30 2.45 0.18 4.82 -1.52 -1.09 -4.84 119.66 116.36 2mfn s GLN 136 Ca 0.68 -0.82 0.06 0.00 -1.95 0.00 0.00 55.36 53.33 2mfn s GLN 136 Cb -0.18 -2.23 -0.05 0.00 -0.22 0.00 0.00 33.01 30.33 2mfn s GLN 136 CO 0.23 0.51 -0.12 -1.83 -0.25 0.00 0.00 175.29 173.82 2mfn s GLU 137 N -0.47 1.21 0.05 2.91 -1.05 -1.26 0.33 118.70 120.42 2mfn s GLU 137 Ca 0.06 -1.53 -0.06 0.00 -0.15 0.00 0.00 54.97 53.28 2mfn s GLU 137 Cb -0.12 -0.90 -0.01 0.00 -0.44 0.00 0.00 34.13 32.67 2mfn s GLU 137 CO 0.01 0.14 0.12 -0.59 0.95 0.00 0.00 175.26 175.89 2mfn s PHE 138 N -3.13 0.21 0.57 4.83 -0.71 -0.27 -4.97 117.98 114.51 2mfn s PHE 138 Ca 0.20 -0.57 -0.05 0.00 -1.04 0.00 0.00 56.93 55.47 2mfn s PHE 138 Cb 0.01 -0.14 0.01 0.00 -1.21 0.00 0.00 43.02 41.69 2mfn s PHE 138 CO 0.04 -0.43 0.86 0.95 -1.34 0.00 0.00 175.22 175.30 2mfn s THR 139 N -3.16 3.66 -0.14 -4.49 -4.23 -1.26 -1.11 115.64 104.91 2mfn s THR 139 Ca -0.00 -0.09 -0.00 0.00 -1.18 0.00 0.00 61.69 60.41 2mfn s THR 139 Cb 0.02 -3.44 0.03 0.00 1.34 0.00 0.00 72.50 70.45 2mfn s THR 139 CO -0.07 -0.43 -0.07 -0.69 -0.54 0.00 0.00 174.62 172.82 2mfn s VAL 140 N -2.92 1.11 0.21 2.29 1.01 0.91 -4.85 120.40 118.16 2mfn s VAL 140 Ca 0.53 -0.44 -0.32 0.00 0.00 0.00 0.00 61.98 61.75 2mfn s VAL 140 Cb -0.10 -1.17 -0.12 0.00 0.00 0.00 0.00 36.38 34.98 2mfn s VAL 140 CO 0.44 0.29 1.69 -2.65 0.00 0.00 0.00 175.10 174.87 2mfn n PRO 141 N 4.90 2.66 0.00 2.72 -0.01 -1.26 -2.30 135.00 141.71 2mfn n PRO 141 Ca -0.13 0.96 0.03 0.00 -0.01 0.00 0.00 63.50 64.35 2mfn n PRO 141 Cb 0.49 -2.79 0.16 0.00 -0.01 0.00 0.00 33.50 31.36 2mfn n PRO 141 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2mfn n GLY 142 N 3.71 -0.24 0.34 -1.23 0.00 -1.22 -1.70 105.19 104.86 2mfn n GLY 142 Ca 0.16 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2mfn n GLY 142 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2mfn n SER 143 N -0.86 1.21 -4.10 1.61 7.64 -1.26 -4.84 113.62 113.00 2mfn n SER 143 Ca 0.04 -1.14 -0.23 0.00 1.01 0.00 0.00 58.87 58.56 2mfn n SER 143 Cb 0.02 0.07 -0.15 0.00 -1.01 0.00 0.00 64.21 63.14 2mfn n SER 143 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2mfn s LYS 144 N -2.29 1.25 0.00 1.43 -0.14 -0.69 -5.00 119.74 114.29 2mfn s LYS 144 Ca 0.30 -0.51 0.24 0.00 -1.36 0.00 0.00 55.97 54.65 2mfn s LYS 144 Cb 0.20 -1.17 0.31 0.00 -1.68 0.00 0.00 37.83 35.49 2mfn s LYS 144 CO 0.44 0.28 1.28 0.43 -0.76 0.00 0.00 175.35 177.02 2mfn n SER 145 N 2.86 1.09 -4.15 2.83 7.64 -1.26 -4.88 113.62 117.75 2mfn n SER 145 Ca -0.15 -0.87 -0.15 0.00 1.01 0.00 0.00 58.87 58.71 2mfn n SER 145 Cb 0.55 0.43 -0.11 0.00 -1.01 0.00 0.00 64.21 64.06 2mfn n SER 145 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2mfn s THR 146 N -2.74 0.87 0.29 0.44 -4.23 -1.26 -2.50 115.64 106.51 2mfn s THR 146 Ca 0.16 -1.46 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 2mfn s THR 146 Cb 0.18 -1.14 -0.03 0.00 1.34 0.00 0.00 72.50 72.84 2mfn s THR 146 CO 0.66 -0.47 0.20 0.00 -0.54 0.00 0.00 174.62 174.47 2mfn s ALA 147 N -2.02 1.75 0.08 3.99 0.00 -0.46 -4.98 121.76 120.12 2mfn s ALA 147 Ca 0.01 -1.85 0.10 0.00 0.00 0.00 0.00 51.96 50.21 2mfn s ALA 147 Cb -0.06 1.33 -0.03 0.00 0.00 0.00 0.00 23.12 24.37 2mfn s ALA 147 CO 0.00 -0.59 -0.26 -0.08 0.00 0.00 0.00 175.76 174.83 2mfn s THR 148 N -3.67 2.16 -0.21 0.00 -1.32 -1.26 -0.52 115.64 110.81 2mfn s THR 148 Ca 0.38 -1.54 -0.03 0.00 -1.21 0.00 0.00 61.69 59.29 2mfn s THR 148 Cb 0.04 -1.88 -0.00 0.00 -1.51 0.00 0.00 72.50 69.15 2mfn s THR 148 CO 0.20 0.23 -0.07 -0.63 -2.21 0.00 0.00 174.62 172.14 2mfn s ILE 149 N -0.92 3.17 0.46 5.08 -1.09 0.15 -4.93 121.20 123.12 2mfn s ILE 149 Ca 0.12 -0.56 0.02 0.00 -2.23 0.00 0.00 60.65 58.00 2mfn s ILE 149 Cb -0.10 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.33 2mfn s ILE 149 CO 0.04 0.45 0.05 0.20 -1.23 0.00 0.00 174.94 174.44 2mfn s ASN 150 N 1.37 3.60 -1.26 3.58 -0.87 -1.26 -0.75 114.94 119.34 2mfn s ASN 150 Ca 0.05 -1.64 -0.03 0.00 -1.57 0.00 0.00 52.86 49.67 2mfn s ASN 150 Cb -0.14 0.44 0.00 0.00 -0.02 0.00 0.00 41.25 41.54 2mfn s ASN 150 CO -0.04 -0.85 1.07 0.59 -2.57 0.00 0.00 177.10 175.29 2mfn n ASN 151 N -1.25 -3.56 -4.74 -1.22 5.03 -1.23 -4.97 115.26 103.32 2mfn n ASN 151 Ca -0.13 -0.59 -0.27 0.00 0.87 0.00 0.00 54.58 54.45 2mfn n ASN 151 Cb 0.66 -5.09 -0.07 0.00 -1.02 0.00 0.00 39.78 34.26 2mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2mfn s ILE 152 N -3.35 4.19 -0.42 2.41 2.07 -1.18 -5.09 121.20 119.83 2mfn s ILE 152 Ca 0.21 -1.14 -0.17 0.00 -1.41 0.00 0.00 60.65 58.14 2mfn s ILE 152 Cb -0.09 -3.10 0.02 0.00 0.13 0.00 0.00 42.46 39.42 2mfn s ILE 152 CO 0.73 -0.05 0.40 -0.54 -1.91 0.00 0.00 174.94 173.56 2mfn s LYS 153 N -2.87 3.06 1.12 3.50 -0.14 -1.26 -4.82 119.74 118.32 2mfn s LYS 153 Ca 0.29 -0.84 -0.15 0.00 -1.36 0.00 0.00 55.97 53.91 2mfn s LYS 153 Cb -0.10 -3.97 0.25 0.00 -1.68 0.00 0.00 37.83 32.32 2mfn s LYS 153 CO 0.21 -0.83 1.08 -1.25 -0.76 0.00 0.00 175.35 173.81 2mfn s PRO 154 N 2.01 -0.55 -1.50 -1.68 0.05 -1.26 -3.97 135.00 128.09 2mfn s PRO 154 Ca 0.10 0.30 0.00 0.00 0.05 0.00 0.00 61.00 61.45 2mfn s PRO 154 Cb -0.18 -1.64 0.00 0.00 0.05 0.00 0.00 34.50 32.73 2mfn s PRO 154 CO 0.13 -3.34 0.00 0.41 0.05 0.00 0.00 177.00 174.24 2mfn n GLY 155 N -0.69 0.22 3.31 0.56 0.00 -1.26 -4.97 105.19 102.35 2mfn n GLY 155 Ca 0.08 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2mfn n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mfn s ALA 156 N -2.76 -0.95 0.62 4.61 0.00 -1.25 -5.02 121.76 117.01 2mfn s ALA 156 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 2mfn s ALA 156 Cb 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 2mfn s ALA 156 CO 0.00 -0.49 1.07 0.34 0.00 0.00 0.00 175.76 176.69 2mfn s ASP 157 N -2.17 5.54 0.06 0.00 2.15 -1.26 -2.23 116.67 118.76 2mfn s ASP 157 Ca -0.04 1.86 -0.04 0.00 0.43 0.00 0.00 52.55 54.76 2mfn s ASP 157 Cb -0.00 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.06 2mfn s ASP 157 CO -0.04 -1.33 0.05 -0.31 -0.17 0.00 0.00 175.17 173.36 2mfn s TYR 158 N -2.47 0.39 -0.07 -5.34 1.51 0.44 0.12 117.35 111.93 2mfn s TYR 158 Ca 0.64 -0.90 -0.01 0.00 -1.01 0.00 0.00 57.07 55.79 2mfn s TYR 158 Cb -0.17 -0.28 0.03 0.00 -0.11 0.00 0.00 41.96 41.43 2mfn s TYR 158 CO 0.40 -0.44 -0.01 0.99 -1.11 0.00 0.00 175.55 175.38 2mfn s THR 159 N -3.90 0.42 -0.24 -0.71 2.01 0.25 0.94 115.64 114.41 2mfn s THR 159 Ca 0.06 0.08 -0.07 0.00 0.31 0.00 0.00 61.69 62.07 2mfn s THR 159 Cb 0.07 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 2mfn s THR 159 CO -0.10 0.27 0.07 -0.63 -0.69 0.00 0.00 174.62 173.53 2mfn s ILE 160 N 1.90 4.41 0.01 1.82 1.01 -0.49 0.17 121.20 130.04 2mfn s ILE 160 Ca 0.04 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.59 2mfn s ILE 160 Cb -0.12 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 2mfn s ILE 160 CO -0.05 0.35 -0.13 -0.89 0.00 0.00 0.00 174.94 174.22 2mfn s THR 161 N 1.43 1.06 0.05 2.92 2.01 -1.03 -1.23 115.64 120.86 2mfn s THR 161 Ca 0.06 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.36 2mfn s THR 161 Cb -0.15 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 2mfn s THR 161 CO 0.04 0.19 -0.07 -1.48 -0.69 0.00 0.00 174.62 172.61 2mfn s LEU 162 N -0.60 2.31 -0.02 4.42 0.05 -0.98 0.22 118.68 124.08 2mfn s LEU 162 Ca 0.04 -0.65 0.08 0.00 0.05 0.00 0.00 54.13 53.64 2mfn s LEU 162 Cb -0.06 -0.11 -0.02 0.00 -2.05 0.00 0.00 46.19 43.95 2mfn s LEU 162 CO 0.00 -0.28 -0.25 -0.31 -0.55 0.00 0.00 176.35 174.96 2mfn s TYR 163 N -1.94 2.21 -0.17 3.48 1.51 0.15 -2.68 117.35 119.91 2mfn s TYR 163 Ca -0.05 -0.42 -0.08 0.00 -1.01 0.00 0.00 57.07 55.51 2mfn s TYR 163 Cb -0.06 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 2mfn s TYR 163 CO -0.01 -0.04 0.10 0.00 -1.11 0.00 0.00 175.55 174.49 2mfn s ALA 164 N -0.58 3.62 -0.17 3.71 0.00 -1.26 0.33 121.76 127.41 2mfn s ALA 164 Ca 0.09 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 2mfn s ALA 164 Cb -0.10 -2.01 -0.00 0.00 0.00 0.00 0.00 23.12 21.01 2mfn s ALA 164 CO -0.01 0.29 -0.13 0.08 0.00 0.00 0.00 175.76 175.98 2mfn s VAL 165 N 0.00 2.78 0.06 0.00 1.01 -0.61 -3.05 120.40 120.59 2mfn s VAL 165 Ca 0.08 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2mfn s VAL 165 Cb -0.12 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.07 2mfn s VAL 165 CO 0.00 0.50 0.00 0.35 0.00 0.00 0.00 175.10 175.95 2mfn n THR 166 N 4.23 0.48 -0.22 3.92 -2.24 -1.22 -0.12 114.28 119.11 2mfn n THR 166 Ca -0.19 0.16 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 2mfn n THR 166 Cb 0.51 -1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2mfn n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2mfn n GLY 167 N 3.19 -0.33 3.21 3.38 0.00 -1.26 -4.45 105.19 108.92 2mfn n GLY 167 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2mfn n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2mfn s ARG 168 N -0.16 2.54 0.00 1.61 0.52 -1.26 -4.54 118.95 117.66 2mfn s ARG 168 Ca 0.10 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 2mfn s ARG 168 Cb -0.14 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.28 2mfn s ARG 168 CO 0.09 0.25 0.00 0.41 0.02 0.00 0.00 175.30 176.08 2mfn n GLY 169 N 3.27 0.58 0.53 -3.53 0.00 -1.26 -4.82 105.19 99.96 2mfn n GLY 169 Ca -0.19 -1.52 0.14 0.00 0.00 0.00 0.00 46.02 44.45 2mfn n GLY 169 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2mfn n ASP 170 N 0.00 1.67 -3.42 1.61 5.75 -1.26 -4.45 116.55 116.45 2mfn n ASP 170 Ca 0.00 -1.52 -0.26 0.00 -0.01 0.00 0.00 54.79 53.00 2mfn n ASP 170 Cb 0.00 0.02 -0.09 0.00 -1.03 0.00 0.00 41.12 40.02 2mfn n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2mfn n SER 171 N 0.26 1.36 -4.59 -1.12 7.64 -1.26 -5.07 113.62 110.83 2mfn n SER 171 Ca 0.18 -2.88 -0.42 0.00 1.01 0.00 0.00 58.87 56.75 2mfn n SER 171 Cb 0.39 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.91 2mfn n SER 171 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2mfn s PRO 172 N -1.23 3.15 0.36 1.43 0.05 -1.26 -4.79 135.00 132.71 2mfn s PRO 172 Ca 0.34 1.56 -0.17 0.00 0.05 0.00 0.00 61.00 62.79 2mfn s PRO 172 Cb 0.09 -4.29 -0.10 0.00 0.05 0.00 0.00 34.50 30.26 2mfn s PRO 172 CO -0.12 -2.08 0.80 0.00 0.05 0.00 0.00 177.00 175.65 2mfn s ALA 173 N 7.82 3.23 0.08 8.56 0.00 -1.26 -4.95 121.76 135.25 2mfn s ALA 173 Ca 0.87 0.15 0.07 0.00 0.00 0.00 0.00 51.96 53.05 2mfn s ALA 173 Cb -0.25 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 2mfn s ALA 173 CO 0.33 0.27 -0.19 -1.54 0.00 0.00 0.00 175.76 174.62 2mfn s SER 174 N -2.25 2.34 0.82 0.00 1.04 -1.26 -3.43 113.70 110.95 2mfn s SER 174 Ca 0.57 -0.63 -0.12 0.00 0.48 0.00 0.00 55.95 56.24 2mfn s SER 174 Cb -0.10 -0.13 0.09 0.00 0.10 0.00 0.00 66.02 65.98 2mfn s SER 174 CO 0.16 0.05 1.17 -0.94 0.98 0.00 0.00 173.24 174.67 2mfn s SER 175 N -1.71 4.37 0.15 7.02 1.04 -1.17 -4.93 113.70 118.46 2mfn s SER 175 Ca 0.05 0.80 -0.33 0.00 0.48 0.00 0.00 55.95 56.95 2mfn s SER 175 Cb -0.10 -1.31 -0.13 0.00 0.10 0.00 0.00 66.02 64.59 2mfn s SER 175 CO 0.03 -1.99 1.63 0.29 0.98 0.00 0.00 173.24 174.18 2mfn n LYS 176 N -3.38 2.27 -1.86 4.02 5.02 -1.26 -4.63 118.16 118.35 2mfn n LYS 176 Ca 0.08 0.82 -0.39 0.00 -2.02 0.00 0.00 58.31 56.80 2mfn n LYS 176 Cb 0.61 -2.61 0.02 0.00 -0.02 0.00 0.00 35.03 33.03 2mfn n LYS 176 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2mfn s PRO 177 N 1.26 3.50 -0.14 1.97 0.04 -1.26 -4.80 135.00 135.57 2mfn s PRO 177 Ca 0.79 2.26 -0.01 0.00 0.04 0.00 0.00 61.00 64.08 2mfn s PRO 177 Cb -0.65 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 2mfn s PRO 177 CO 0.38 -0.91 -0.11 0.08 0.04 0.00 0.00 177.00 176.48 2mfn s VAL 178 N -1.28 3.14 0.11 -0.36 1.01 -1.09 -4.99 120.40 116.94 2mfn s VAL 178 Ca 0.65 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 62.10 2mfn s VAL 178 Cb -0.40 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2mfn s VAL 178 CO 0.50 0.51 -0.23 -0.94 0.00 0.00 0.00 175.10 174.94 2mfn s SER 179 N 0.50 2.81 0.12 3.32 1.04 -1.26 -2.33 113.70 117.91 2mfn s SER 179 Ca -0.08 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 55.67 2mfn s SER 179 Cb -0.15 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.75 2mfn s SER 179 CO 0.04 0.10 -0.08 0.27 0.98 0.00 0.00 173.24 174.55 2mfn s ILE 180 N -1.13 0.91 -0.10 -1.02 -4.36 -0.36 -5.00 121.20 110.14 2mfn s ILE 180 Ca 0.09 -1.99 -0.04 0.00 -0.26 0.00 0.00 60.65 58.45 2mfn s ILE 180 Cb -0.10 -1.76 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 2mfn s ILE 180 CO 0.05 -0.81 0.04 0.20 0.24 0.00 0.00 174.94 174.66 2mfn s ASN 181 N -3.10 5.57 -0.04 4.36 0.01 -1.26 -1.39 114.94 119.10 2mfn s ASN 181 Ca 0.14 0.23 0.01 0.00 -0.71 0.00 0.00 52.86 52.53 2mfn s ASN 181 Cb 0.04 -1.67 0.02 0.00 0.41 0.00 0.00 41.25 40.05 2mfn s ASN 181 CO -0.02 0.37 -0.03 -0.47 -1.51 0.00 0.00 177.10 175.44 2mfn s TYR 182 N -0.84 0.62 -0.12 2.20 5.04 0.27 -4.90 117.35 119.61 2mfn s TYR 182 Ca 0.13 -0.14 -0.07 0.00 -2.44 0.00 0.00 57.07 54.55 2mfn s TYR 182 Cb -0.12 -0.57 -0.04 0.00 0.35 0.00 0.00 41.96 41.58 2mfn s TYR 182 CO 0.03 -0.16 0.14 -1.59 -1.34 0.00 0.00 175.55 172.62 2mfn s LYS 183 N 0.87 3.43 0.00 4.97 -2.85 -1.26 0.17 119.74 125.06 2mfn s LYS 183 Ca -0.11 -0.13 0.20 0.00 -1.00 0.00 0.00 55.97 54.93 2mfn s LYS 183 Cb -0.14 -3.18 0.16 0.00 -2.06 0.00 0.00 37.83 32.60 2mfn s LYS 183 CO -0.00 0.78 1.13 0.25 0.10 0.00 0.00 175.35 177.60