#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 2.09 -0.04 0.99 1.43 -1.26 -5.01 118.68 116.88 2mfn s LEU 2 Ca 0.00 -0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 52.29 2mfn s LEU 2 Cb 0.00 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 2mfn s LEU 2 CO 0.00 0.17 0.78 -1.81 0.23 0.00 0.00 176.35 175.72 2mfn s ASP 3 N 0.28 7.10 0.46 2.29 1.01 -1.26 -4.35 116.67 122.21 2mfn s ASP 3 Ca -0.17 1.32 -0.23 0.00 0.71 0.00 0.00 52.55 54.18 2mfn s ASP 3 Cb -0.18 -2.46 -0.07 0.00 1.01 0.00 0.00 42.92 41.23 2mfn s ASP 3 CO 0.08 -0.15 1.16 -0.94 0.21 0.00 0.00 175.17 175.53 2mfn s SER 4 N 0.81 6.16 -0.07 0.27 1.04 -1.26 -4.63 113.70 116.03 2mfn s SER 4 Ca 0.41 2.28 -0.29 0.00 0.48 0.00 0.00 55.95 58.83 2mfn s SER 4 Cb -0.19 -2.60 -0.07 0.00 0.10 0.00 0.00 66.02 63.26 2mfn s SER 4 CO 0.21 -0.92 2.03 -2.16 0.98 0.00 0.00 173.24 173.38 2mfn s PRO 5 N -2.74 3.77 0.00 4.02 0.04 -1.26 -4.80 135.00 134.03 2mfn s PRO 5 Ca 0.64 2.36 0.00 0.00 0.04 0.00 0.00 61.00 64.04 2mfn s PRO 5 Cb -0.28 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2mfn s PRO 5 CO 0.34 -1.37 0.00 0.25 0.04 0.00 0.00 177.00 176.25 2mfn n THR 6 N 6.36 0.00 -1.32 1.26 -2.24 -1.26 -4.73 114.28 112.35 2mfn n THR 6 Ca 0.23 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.90 2mfn n THR 6 Cb 0.43 -0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 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 5.00 1.22 3.65 3.38 0.00 -1.26 -1.78 105.19 115.39 2mfn n GLY 7 Ca 0.00 -0.53 -0.46 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.69 1.96 -3.78 1.61 -0.00 -1.26 -4.29 117.46 109.02 2mfn n PHE 8 Ca -0.11 0.46 -0.13 0.00 -0.00 0.00 0.00 57.45 57.68 2mfn n PHE 8 Cb 0.36 -2.43 -0.10 0.00 -0.00 0.00 0.00 39.48 37.31 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 0.39 -0.22 0.04 -2.13 -1.08 0.23 -4.97 116.67 108.92 2mfn s ASP 9 Ca 0.73 0.27 0.05 0.00 -0.52 0.00 0.00 52.55 53.08 2mfn s ASP 9 Cb -0.72 0.43 -0.02 0.00 -1.46 0.00 0.00 42.92 41.15 2mfn s ASP 9 CO 0.47 -0.29 -0.15 -0.55 0.52 0.00 0.00 175.17 175.17 2mfn s SER 10 N -0.71 1.79 0.00 -0.34 0.15 -1.26 0.82 113.70 114.16 2mfn s SER 10 Ca -0.08 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.12 2mfn s SER 10 Cb -0.04 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2mfn s SER 10 CO 0.02 0.06 0.00 -1.54 1.20 0.00 0.00 173.24 172.99 2mfn n SER 11 N 1.95 0.00 -4.10 5.45 3.41 -1.01 -4.95 113.62 114.36 2mfn n SER 11 Ca -0.18 -0.23 -0.34 0.00 -0.26 0.00 0.00 58.87 57.86 2mfn n SER 11 Cb 0.54 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.08 -3.95 -4.72 4.04 8.00 -1.26 -2.12 116.55 116.45 2mfn n ASP 12 Ca 0.00 -0.92 -0.42 0.00 0.71 0.00 0.00 54.79 54.17 2mfn n ASP 12 Cb 0.00 -3.22 -0.04 0.00 -0.02 0.00 0.00 41.12 37.85 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 -3.29 4.69 0.29 0.53 1.01 -1.26 -1.59 121.20 121.58 2mfn s ILE 13 Ca 0.72 2.06 0.08 0.00 0.00 0.00 0.00 60.65 63.50 2mfn s ILE 13 Cb -0.38 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 37.72 2mfn s ILE 13 CO 0.89 0.24 -0.08 0.42 0.00 0.00 0.00 174.94 176.40 2mfn s THR 14 N 0.51 1.85 0.07 2.92 -4.23 1.56 -4.83 115.64 113.50 2mfn s THR 14 Ca 0.49 -2.17 -0.36 0.00 -1.18 0.00 0.00 61.69 58.47 2mfn s THR 14 Cb -0.22 -2.45 -0.19 0.00 1.34 0.00 0.00 72.50 70.98 2mfn s THR 14 CO 0.29 -0.31 1.58 0.00 -0.54 0.00 0.00 174.62 175.64 2mfn h ALA 15 N 2.24 -1.19 -0.02 3.99 0.00 -1.81 -2.98 119.26 119.49 2mfn h ALA 15 Ca -0.40 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2mfn h ALA 15 Cb 1.24 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2mfn h ALA 15 CO 0.67 -1.18 -0.03 0.09 0.00 0.00 0.00 179.25 178.80 2mfn n ASN 16 N -5.60 1.81 -3.71 0.00 4.13 -1.26 -3.58 115.26 107.05 2mfn n ASN 16 Ca -0.15 -1.56 -0.11 0.00 1.68 0.00 0.00 54.58 54.44 2mfn n ASN 16 Cb 0.48 0.02 -0.06 0.00 -1.54 0.00 0.00 39.78 38.68 2mfn n ASN 16 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2mfn s SER 17 N -2.05 -0.17 -0.11 6.41 1.04 -1.13 -0.95 113.70 116.74 2mfn s SER 17 Ca 0.34 -0.21 -0.30 0.00 0.48 0.00 0.00 55.95 56.26 2mfn s SER 17 Cb 0.21 0.40 0.08 0.00 0.10 0.00 0.00 66.02 66.81 2mfn s SER 17 CO 0.35 -0.69 0.76 0.72 0.98 0.00 0.00 173.24 175.35 2mfn s PHE 18 N -2.94 -0.62 0.09 5.02 -0.12 -0.93 0.45 117.98 118.93 2mfn s PHE 18 Ca -0.02 1.14 0.02 0.00 -0.05 0.00 0.00 56.93 58.02 2mfn s PHE 18 Cb 0.00 0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 2mfn s PHE 18 CO -0.06 -0.52 0.17 0.99 -0.05 0.00 0.00 175.22 175.76 2mfn s THR 19 N -0.92 5.01 -0.03 -4.49 2.01 -0.62 -1.94 115.64 114.66 2mfn s THR 19 Ca -0.07 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.37 2mfn s THR 19 Cb -0.01 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 2mfn s THR 19 CO 0.07 0.07 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.13 2mfn s VAL 20 N -1.53 2.00 -0.00 3.82 1.01 -0.89 -2.42 120.40 122.38 2mfn s VAL 20 Ca 0.33 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2mfn s VAL 20 Cb -0.12 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2mfn s VAL 20 CO 0.26 0.56 -0.16 -1.00 0.00 0.00 0.00 175.10 174.75 2mfn s HIS 21 N -0.47 1.47 0.06 5.22 3.76 0.24 -2.30 115.29 123.27 2mfn s HIS 21 Ca 0.06 -0.29 -0.13 0.00 -0.15 0.00 0.00 55.06 54.54 2mfn s HIS 21 Cb -0.11 -0.93 0.02 0.00 1.11 0.00 0.00 32.58 32.67 2mfn s HIS 21 CO 0.00 -0.00 0.30 1.67 -0.85 0.00 0.00 174.74 175.86 2mfn s TRP 22 N -0.48 -0.08 0.42 1.40 -2.14 -0.93 0.74 118.94 117.87 2mfn s TRP 22 Ca 0.06 -0.12 -0.04 0.00 2.66 0.00 0.00 56.10 58.66 2mfn s TRP 22 Cb -0.07 0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.36 2mfn s TRP 22 CO -0.00 -0.53 0.69 0.08 -2.66 0.00 0.00 176.95 174.53 2mfn s VAL 23 N -2.89 4.98 0.09 -0.66 1.01 -0.73 -4.76 120.40 117.43 2mfn s VAL 23 Ca -0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 2mfn s VAL 23 Cb 0.00 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 2mfn s VAL 23 CO -0.05 -0.70 0.59 0.00 0.00 0.00 0.00 175.10 174.93 2mfn s ALA 24 N -2.54 3.57 1.42 5.51 0.00 -1.26 -4.01 121.76 124.45 2mfn s ALA 24 Ca 0.45 0.07 -0.23 0.00 0.00 0.00 0.00 51.96 52.25 2mfn s ALA 24 Cb -0.10 -2.67 0.36 0.00 0.00 0.00 0.00 23.12 20.71 2mfn s ALA 24 CO 0.40 0.39 0.82 -2.30 0.00 0.00 0.00 175.76 175.08 2mfn n PRO 25 N 1.67 -4.50 -0.38 0.00 -0.01 -1.26 -4.92 135.00 125.60 2mfn n PRO 25 Ca -0.10 -1.34 0.12 0.00 -0.01 0.00 0.00 63.50 62.18 2mfn n PRO 25 Cb 0.51 -1.88 0.33 0.00 -0.01 0.00 0.00 33.50 32.44 2mfn n PRO 25 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 2mfn n ARG 26 N -5.33 2.73 -4.32 -0.52 1.74 -1.26 -4.93 116.66 104.77 2mfn n ARG 26 Ca 0.12 -2.68 -0.29 0.00 -0.77 0.00 0.00 57.85 54.23 2mfn n ARG 26 Cb 0.57 -1.58 -0.11 0.00 -1.02 0.00 0.00 32.46 30.32 2mfn n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2mfn s ALA 27 N -1.00 2.68 0.14 7.54 0.00 -1.26 -5.08 121.76 124.77 2mfn s ALA 27 Ca 0.50 -1.39 -0.33 0.00 0.00 0.00 0.00 51.96 50.74 2mfn s ALA 27 Cb 0.26 -0.62 -0.12 0.00 0.00 0.00 0.00 23.12 22.64 2mfn s ALA 27 CO 0.34 0.57 1.71 -0.35 0.00 0.00 0.00 175.76 178.03 2mfn n PRO 28 N 0.70 2.49 -4.38 0.00 -0.04 -1.26 -5.00 135.00 127.51 2mfn n PRO 28 Ca -0.15 0.90 -0.19 0.00 -0.04 0.00 0.00 63.50 64.02 2mfn n PRO 28 Cb 0.53 -2.73 -0.10 0.00 -0.04 0.00 0.00 33.50 31.16 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 1.70 0.82 -1.68 0.52 -4.36 -1.26 -4.86 121.20 112.08 2mfn s ILE 29 Ca 0.80 -2.00 0.17 0.00 -0.26 0.00 0.00 60.65 59.35 2mfn s ILE 29 Cb -0.58 -2.69 0.04 0.00 1.25 0.00 0.00 42.46 40.47 2mfn s ILE 29 CO 0.37 0.00 0.92 0.35 0.24 0.00 0.00 174.94 176.82 2mfn n THR 30 N -0.58 0.00 0.00 8.37 -2.24 -0.28 -4.95 114.28 114.60 2mfn n THR 30 Ca -0.01 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2mfn n THR 30 Cb 0.66 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 70.13 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 1.10 2.18 3.35 3.38 0.00 -1.21 -4.46 105.19 109.53 2mfn n GLY 31 Ca 0.08 -1.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.60 2.12 -0.12 1.61 2.02 -1.06 -2.61 117.35 117.70 2mfn s TYR 32 Ca 0.00 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2mfn s TYR 32 Cb 0.00 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 2mfn s TYR 32 CO 0.00 0.29 -0.15 0.42 -1.57 0.00 0.00 175.55 174.54 2mfn s ILE 33 N -1.09 2.87 -0.25 2.71 1.01 0.34 -1.85 121.20 124.93 2mfn s ILE 33 Ca 0.11 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 2mfn s ILE 33 Cb -0.10 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 2mfn s ILE 33 CO 0.05 0.53 0.05 -0.63 0.00 0.00 0.00 174.94 174.94 2mfn s ILE 34 N 0.34 4.11 -0.15 2.92 -1.09 0.72 -0.75 121.20 127.30 2mfn s ILE 34 Ca -0.12 -0.27 -0.03 0.00 -2.23 0.00 0.00 60.65 57.99 2mfn s ILE 34 Cb -0.16 -2.93 -0.02 0.00 -1.58 0.00 0.00 42.46 37.76 2mfn s ILE 34 CO 0.06 0.34 -0.05 -0.13 -1.23 0.00 0.00 174.94 173.93 2mfn s ARG 35 N 1.58 3.61 0.04 2.79 0.52 -0.58 0.14 118.95 127.07 2mfn s ARG 35 Ca 0.06 -0.55 0.03 0.00 -0.52 0.00 0.00 55.73 54.75 2mfn s ARG 35 Cb -0.15 -2.87 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 2mfn s ARG 35 CO 0.02 0.22 -0.10 -3.38 0.02 0.00 0.00 175.30 172.09 2mfn s HIS 36 N 0.40 0.84 -0.07 -0.53 -3.43 -0.93 -0.23 115.29 111.34 2mfn s HIS 36 Ca -0.05 -0.44 -0.30 0.00 -0.80 0.00 0.00 55.06 53.47 2mfn s HIS 36 Cb -0.14 -0.49 0.09 0.00 -1.43 0.00 0.00 32.58 30.60 2mfn s HIS 36 CO 0.03 -0.03 0.77 -3.38 -2.00 0.00 0.00 174.74 170.14 2mfn s HIS 37 N -1.18 -0.55 0.67 0.38 -3.43 0.15 -1.00 115.29 110.32 2mfn s HIS 37 Ca -0.06 0.89 -0.09 0.00 -0.80 0.00 0.00 55.06 55.00 2mfn s HIS 37 Cb -0.09 0.44 0.02 0.00 -1.43 0.00 0.00 32.58 31.52 2mfn s HIS 37 CO 0.01 -0.55 1.03 0.00 -2.00 0.00 0.00 174.74 173.23 2mfn s ALA 38 N -1.43 3.04 0.34 -1.38 0.00 -1.26 0.08 121.76 121.15 2mfn s ALA 38 Ca -0.07 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.38 2mfn s ALA 38 Cb -0.00 -2.84 0.59 0.00 0.00 0.00 0.00 23.12 20.87 2mfn s ALA 38 CO 0.05 -1.06 2.00 0.93 0.00 0.00 0.00 175.76 177.69 2mfn h GLU 39 N -0.50 0.89 -0.79 0.00 5.08 -1.92 -0.18 114.58 117.16 2mfn h GLU 39 Ca -0.45 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2mfn h GLU 39 Cb 1.26 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2mfn h GLU 39 CO 0.63 0.59 0.00 0.72 -1.00 0.00 0.00 179.01 179.95 2mfn n HIS 40 N -4.43 0.87 -1.50 4.33 8.25 -1.26 -4.92 115.22 116.56 2mfn n HIS 40 Ca 0.07 -0.31 -0.29 0.00 -0.26 0.00 0.00 57.72 56.94 2mfn n HIS 40 Cb 0.04 -0.26 0.14 0.00 1.12 0.00 0.00 29.99 31.02 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 -0.37 3.47 0.44 0.41 1.04 -0.08 -5.07 113.70 113.53 2mfn s SER 41 Ca 0.23 1.00 0.05 0.00 0.48 0.00 0.00 55.95 57.71 2mfn s SER 41 Cb 0.18 -1.59 0.05 0.00 0.10 0.00 0.00 66.02 64.76 2mfn s SER 41 CO 0.07 -2.58 0.43 1.33 0.98 0.00 0.00 173.24 173.47 2mfn n VAL 42 N -3.79 0.00 0.00 5.02 0.24 -1.26 -4.92 118.33 113.62 2mfn n VAL 42 Ca 0.06 -1.64 0.00 0.00 -2.04 0.00 0.00 64.34 60.72 2mfn n VAL 42 Cb 0.59 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 2mfn n VAL 42 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2mfn n GLY 43 N -0.30 0.00 2.45 7.63 0.00 -1.26 -3.61 105.19 110.10 2mfn n GLY 43 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.04 2.27 -1.75 1.61 1.74 -1.26 -5.09 116.66 114.14 2mfn n ARG 44 Ca 0.00 -4.51 -0.37 0.00 -0.77 0.00 0.00 57.85 52.20 2mfn n ARG 44 Cb 0.00 -2.16 0.07 0.00 -1.02 0.00 0.00 32.46 29.34 2mfn n ARG 44 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2mfn s PRO 45 N -2.23 2.57 0.65 5.56 0.04 -1.24 -4.98 135.00 135.37 2mfn s PRO 45 Ca 0.38 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.30 2mfn s PRO 45 Cb 0.13 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 2mfn s PRO 45 CO -0.04 -1.57 1.06 1.03 0.04 0.00 0.00 177.00 177.52 2mfn s ARG 46 N -3.41 3.08 -0.10 4.56 0.52 -0.17 -4.91 118.95 118.51 2mfn s ARG 46 Ca 0.81 1.07 0.04 0.00 -0.52 0.00 0.00 55.73 57.13 2mfn s ARG 46 Cb -0.36 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.11 2mfn s ARG 46 CO 0.39 -0.99 -0.23 -0.65 0.02 0.00 0.00 175.30 173.84 2mfn s GLN 47 N -4.61 2.96 -0.09 3.54 -1.52 -1.26 -2.19 119.66 116.50 2mfn s GLN 47 Ca 0.61 -0.85 -0.03 0.00 -1.95 0.00 0.00 55.36 53.14 2mfn s GLN 47 Cb -0.15 -2.27 0.04 0.00 -0.22 0.00 0.00 33.01 30.42 2mfn s GLN 47 CO 0.47 0.14 0.10 -0.51 -0.25 0.00 0.00 175.29 175.24 2mfn s ASP 48 N 0.43 1.26 -0.04 5.90 1.01 0.38 -4.95 116.67 120.67 2mfn s ASP 48 Ca -0.17 0.01 0.01 0.00 0.71 0.00 0.00 52.55 53.11 2mfn s ASP 48 Cb -0.17 -0.01 -0.03 0.00 1.01 0.00 0.00 42.92 43.72 2mfn s ASP 48 CO 0.07 -0.27 -0.04 -0.13 0.21 0.00 0.00 175.17 175.01 2mfn s ARG 49 N 2.21 2.74 -0.03 8.23 3.00 -1.26 0.26 118.95 134.10 2mfn s ARG 49 Ca 0.04 -0.58 0.05 0.00 0.00 0.00 0.00 55.73 55.23 2mfn s ARG 49 Cb -0.13 -2.62 -0.01 0.00 0.00 0.00 0.00 34.95 32.20 2mfn s ARG 49 CO -0.05 0.65 -0.17 0.14 0.00 0.00 0.00 175.30 175.86 2mfn s VAL 50 N -0.93 1.40 0.89 3.52 -7.23 -0.77 -4.84 120.40 112.45 2mfn s VAL 50 Ca 0.15 -0.72 -0.10 0.00 -1.81 0.00 0.00 61.98 59.50 2mfn s VAL 50 Cb -0.11 -1.19 0.13 0.00 0.56 0.00 0.00 36.38 35.77 2mfn s VAL 50 CO 0.05 0.40 1.14 -2.16 -0.31 0.00 0.00 175.10 174.22 2mfn s PRO 51 N -0.12 1.20 0.43 4.82 0.04 -1.26 -2.55 135.00 137.56 2mfn s PRO 51 Ca 0.00 1.47 0.13 0.00 0.04 0.00 0.00 61.00 62.64 2mfn s PRO 51 Cb -0.10 -1.75 0.99 0.00 0.04 0.00 0.00 34.50 33.68 2mfn s PRO 51 CO 0.01 -2.48 1.99 -1.00 0.04 0.00 0.00 177.00 175.56 2mfn h PRO 52 N -1.76 0.43 0.00 0.56 0.13 -1.89 0.19 132.00 129.66 2mfn h PRO 52 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2mfn h PRO 52 Cb 1.26 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2mfn h PRO 52 CO 0.43 0.28 0.00 -1.13 -0.23 0.00 0.00 178.00 177.36 2mfn n SER 53 N -4.47 0.05 -4.51 1.44 3.41 -1.26 -4.56 113.62 103.72 2mfn n SER 53 Ca 0.09 0.51 -0.37 0.00 -0.26 0.00 0.00 58.87 58.84 2mfn n SER 53 Cb 0.32 -0.52 -0.12 0.00 -0.26 0.00 0.00 64.21 63.63 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 -3.02 3.78 0.00 4.33 1.81 0.05 -4.92 118.95 120.97 2mfn s ARG 54 Ca 0.07 -0.41 0.14 0.00 -1.72 0.00 0.00 55.73 53.81 2mfn s ARG 54 Cb 0.10 -3.43 -0.08 0.00 -0.45 0.00 0.00 34.95 31.08 2mfn s ARG 54 CO 0.28 -0.16 0.69 0.27 -0.68 0.00 0.00 175.30 175.70 2mfn n ASN 55 N 4.89 1.07 -4.08 0.23 6.94 -1.26 -4.73 115.26 118.32 2mfn n ASN 55 Ca -0.15 -1.04 -0.22 0.00 -0.02 0.00 0.00 54.58 53.15 2mfn n ASN 55 Cb 0.52 0.75 -0.15 0.00 -2.36 0.00 0.00 39.78 38.53 2mfn n ASN 55 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2mfn s SER 56 N -2.05 1.54 -0.05 0.53 1.04 -1.26 -2.20 113.70 111.25 2mfn s SER 56 Ca 0.09 -0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.30 2mfn s SER 56 Cb 0.11 -0.25 0.01 0.00 0.10 0.00 0.00 66.02 65.98 2mfn s SER 56 CO 0.47 0.14 -0.11 -0.51 0.98 0.00 0.00 173.24 174.21 2mfn s ILE 57 N -0.16 1.01 -0.28 -1.02 2.07 -0.97 -4.95 121.20 116.89 2mfn s ILE 57 Ca 0.02 -0.44 -0.11 0.00 -1.41 0.00 0.00 60.65 58.71 2mfn s ILE 57 Cb -0.07 -0.91 -0.05 0.00 0.13 0.00 0.00 42.46 41.57 2mfn s ILE 57 CO 0.00 0.31 0.20 -0.89 -1.91 0.00 0.00 174.94 172.66 2mfn s THR 58 N 0.42 5.30 0.07 4.00 2.01 -1.26 -2.09 115.64 124.09 2mfn s THR 58 Ca -0.09 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.99 2mfn s THR 58 Cb -0.13 -3.54 -0.06 0.00 0.01 0.00 0.00 72.50 68.78 2mfn s THR 58 CO 0.02 0.24 0.43 -0.76 -0.69 0.00 0.00 174.62 173.86 2mfn s LEU 59 N 1.78 4.39 0.42 4.42 1.43 -0.82 -4.93 118.68 125.37 2mfn s LEU 59 Ca 0.08 0.90 0.04 0.00 -1.03 0.00 0.00 54.13 54.11 2mfn s LEU 59 Cb -0.16 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 2mfn s LEU 59 CO 0.11 0.21 0.14 0.42 0.23 0.00 0.00 176.35 177.45 2mfn s THR 60 N -1.31 0.55 -1.34 5.49 -4.23 -1.26 -2.20 115.64 111.34 2mfn s THR 60 Ca 0.31 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.75 2mfn s THR 60 Cb -0.15 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.40 2mfn s THR 60 CO 0.17 0.00 1.09 0.59 -0.54 0.00 0.00 174.62 175.92 2mfn n ASN 61 N -1.38 -4.82 -4.68 3.99 4.13 -1.03 -4.91 115.26 106.57 2mfn n ASN 61 Ca -0.06 -0.61 -0.27 0.00 1.68 0.00 0.00 54.58 55.32 2mfn n ASN 61 Cb 0.65 -4.84 -0.08 0.00 -1.54 0.00 0.00 39.78 33.97 2mfn n ASN 61 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2mfn s LEU 62 N -7.05 3.38 0.04 3.41 1.43 -0.13 -5.05 118.68 114.72 2mfn s LEU 62 Ca 0.42 -0.33 -0.31 0.00 -1.03 0.00 0.00 54.13 52.89 2mfn s LEU 62 Cb -0.19 -2.05 -0.06 0.00 0.03 0.00 0.00 46.19 43.91 2mfn s LEU 62 CO 0.75 0.11 1.41 0.20 0.23 0.00 0.00 176.35 179.04 2mfn s ASN 63 N -2.82 6.84 0.20 2.29 0.01 -1.26 -4.25 114.94 115.95 2mfn s ASN 63 Ca 0.27 2.19 -0.31 0.00 -0.71 0.00 0.00 52.86 54.31 2mfn s ASN 63 Cb -0.10 -2.57 -0.10 0.00 0.41 0.00 0.00 41.25 38.89 2mfn s ASN 63 CO 0.19 -0.70 1.51 -2.16 -1.51 0.00 0.00 177.10 174.43 2mfn s PRO 64 N 2.00 4.24 -0.30 -0.60 0.05 -1.23 -3.59 135.00 135.55 2mfn s PRO 64 Ca 0.65 2.33 -0.01 0.00 0.05 0.00 0.00 61.00 64.02 2mfn s PRO 64 Cb -0.33 -3.14 -0.02 0.00 0.05 0.00 0.00 34.50 31.06 2mfn s PRO 64 CO 0.28 -0.53 0.27 0.41 0.05 0.00 0.00 177.00 177.48 2mfn n GLY 65 N 3.07 0.09 3.22 0.56 0.00 0.67 -4.71 105.19 108.09 2mfn n GLY 65 Ca 0.11 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 0.08 -0.26 2.61 2.01 -1.03 -4.88 115.64 111.08 2mfn s THR 66 Ca 0.11 -0.68 -0.19 0.00 0.31 0.00 0.00 61.69 61.24 2mfn s THR 66 Cb -0.01 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 2mfn s THR 66 CO 0.23 -0.37 0.55 -1.61 -0.69 0.00 0.00 174.62 172.73 2mfn s GLU 67 N -2.09 4.08 0.06 4.92 2.02 -1.26 0.18 118.70 126.61 2mfn s GLU 67 Ca -0.08 0.40 0.04 0.00 0.02 0.00 0.00 54.97 55.34 2mfn s GLU 67 Cb -0.03 -3.65 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 2mfn s GLU 67 CO -0.01 -0.37 -0.01 0.71 0.02 0.00 0.00 175.26 175.60 2mfn s TYR 68 N 2.38 3.00 -0.18 1.61 1.51 0.48 -3.39 117.35 122.75 2mfn s TYR 68 Ca 0.23 -0.00 -0.04 0.00 -1.01 0.00 0.00 57.07 56.25 2mfn s TYR 68 Cb -0.16 -1.57 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 2mfn s TYR 68 CO 0.09 0.46 -0.03 0.08 -1.11 0.00 0.00 175.55 175.04 2mfn s VAL 69 N -1.23 3.71 -0.08 0.71 1.01 0.11 -0.58 120.40 124.05 2mfn s VAL 69 Ca 0.23 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2mfn s VAL 69 Cb -0.12 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.62 2mfn s VAL 69 CO 0.15 0.46 -0.17 -0.69 0.00 0.00 0.00 175.10 174.85 2mfn s VAL 70 N 0.85 1.50 -0.04 2.92 1.01 -0.67 -0.68 120.40 125.28 2mfn s VAL 70 Ca -0.01 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2mfn s VAL 70 Cb -0.15 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2mfn s VAL 70 CO 0.02 0.44 -0.16 -0.94 0.00 0.00 0.00 175.10 174.45 2mfn s SER 71 N 0.54 3.85 -0.15 3.32 1.04 0.68 -1.83 113.70 121.15 2mfn s SER 71 Ca -0.16 -0.25 -0.04 0.00 0.48 0.00 0.00 55.95 55.99 2mfn s SER 71 Cb -0.17 -0.75 -0.03 0.00 0.10 0.00 0.00 66.02 65.17 2mfn s SER 71 CO 0.06 0.34 -0.04 -0.63 0.98 0.00 0.00 173.24 173.95 2mfn s ILE 72 N -0.71 3.87 -0.16 -1.02 -1.09 0.19 -1.52 121.20 120.77 2mfn s ILE 72 Ca 0.11 -0.37 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 2mfn s ILE 72 Cb -0.10 -2.69 0.01 0.00 -1.58 0.00 0.00 42.46 38.09 2mfn s ILE 72 CO 0.00 0.49 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.37 2mfn s ILE 73 N 0.35 2.08 -0.10 2.92 -1.09 0.07 -1.60 121.20 123.83 2mfn s ILE 73 Ca -0.04 -0.96 -0.16 0.00 -2.23 0.00 0.00 60.65 57.26 2mfn s ILE 73 Cb -0.14 -1.84 -0.05 0.00 -1.58 0.00 0.00 42.46 38.85 2mfn s ILE 73 CO 0.03 0.55 0.40 0.00 -1.23 0.00 0.00 174.94 174.69 2mfn s ALA 74 N 0.99 3.57 -0.01 9.38 0.00 -1.26 -0.51 121.76 133.92 2mfn s ALA 74 Ca -0.03 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.70 2mfn s ALA 74 Cb -0.15 -2.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 2mfn s ALA 74 CO -0.06 0.16 -0.13 0.14 0.00 0.00 0.00 175.76 175.86 2mfn s VAL 75 N 0.13 1.04 -0.34 0.00 -7.23 -1.07 -0.90 120.40 112.02 2mfn s VAL 75 Ca 0.23 -0.56 0.08 0.00 -1.81 0.00 0.00 61.98 59.91 2mfn s VAL 75 Cb -0.15 -0.86 0.45 0.00 0.56 0.00 0.00 36.38 36.38 2mfn s VAL 75 CO 0.09 0.29 1.15 -3.20 -0.31 0.00 0.00 175.10 173.13 2mfn n ASN 76 N 2.75 4.59 0.00 4.85 5.15 0.15 -1.12 115.26 131.64 2mfn n ASN 76 Ca -0.14 -3.62 0.00 0.00 -0.60 0.00 0.00 54.58 50.22 2mfn n ASN 76 Cb 0.55 -0.39 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 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 -0.61 0.91 0.86 8.20 0.00 -1.26 -4.02 105.19 109.27 2mfn n GLY 77 Ca 0.40 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 1.97 -4.22 1.61 3.00 -1.26 -4.94 116.66 112.82 2mfn n ARG 78 Ca 0.00 -1.78 -0.29 0.00 -0.01 0.00 0.00 57.85 55.78 2mfn n ARG 78 Cb 0.00 -1.41 -0.09 0.00 0.00 0.00 0.00 32.46 30.96 2mfn n ARG 78 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2mfn s GLU 79 N -1.78 2.20 0.14 5.56 2.02 -1.26 -5.13 118.70 120.45 2mfn s GLU 79 Ca 0.25 -1.05 0.09 0.00 0.02 0.00 0.00 54.97 54.27 2mfn s GLU 79 Cb 0.18 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 2mfn s GLU 79 CO 0.27 0.49 -0.20 -1.21 0.02 0.00 0.00 175.26 174.63 2mfn s GLU 80 N -2.41 1.24 0.42 1.61 2.02 -1.26 -0.67 118.70 119.64 2mfn s GLU 80 Ca 0.23 -1.32 0.08 0.00 0.02 0.00 0.00 54.97 53.98 2mfn s GLU 80 Cb -0.11 -1.40 -0.02 0.00 0.10 0.00 0.00 34.13 32.71 2mfn s GLU 80 CO 0.15 0.30 0.40 -1.54 0.02 0.00 0.00 175.26 174.59 2mfn s SER 81 N -2.37 5.10 0.13 -0.19 1.04 -0.08 -4.84 113.70 112.49 2mfn s SER 81 Ca 0.13 -0.72 -0.31 0.00 0.48 0.00 0.00 55.95 55.52 2mfn s SER 81 Cb -0.08 -0.56 -0.11 0.00 0.10 0.00 0.00 66.02 65.38 2mfn s SER 81 CO 0.06 -0.67 1.84 -2.65 0.98 0.00 0.00 173.24 172.79 2mfn n PRO 82 N -1.58 2.81 -1.80 4.02 -0.01 -1.26 -4.51 135.00 132.66 2mfn n PRO 82 Ca 0.04 1.02 -0.40 0.00 -0.01 0.00 0.00 63.50 64.15 2mfn n PRO 82 Cb 0.62 -2.92 0.02 0.00 -0.01 0.00 0.00 33.50 31.21 2mfn n PRO 82 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 175.50 174.24 2mfn s PRO 83 N 2.68 3.61 -0.12 0.52 0.04 -1.26 -4.51 135.00 135.96 2mfn s PRO 83 Ca 0.82 2.39 0.03 0.00 0.04 0.00 0.00 61.00 64.28 2mfn s PRO 83 Cb -0.48 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2mfn s PRO 83 CO 0.37 -0.86 -0.23 -1.17 0.04 0.00 0.00 177.00 175.15 2mfn s LEU 84 N -2.83 2.12 -0.01 -3.56 2.96 -0.63 -4.98 118.68 111.75 2mfn s LEU 84 Ca 0.62 -0.57 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 2mfn s LEU 84 Cb -0.43 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 2mfn s LEU 84 CO 0.55 0.13 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.92 2mfn s ILE 85 N 0.52 1.26 0.09 6.68 1.01 -1.26 0.54 121.20 130.04 2mfn s ILE 85 Ca -0.14 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 2mfn s ILE 85 Cb -0.17 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 2mfn s ILE 85 CO 0.05 0.36 0.06 -0.83 0.00 0.00 0.00 174.94 174.57 2mfn s GLY 86 N -0.38 0.51 -0.07 6.18 0.00 -0.76 -5.02 107.32 107.78 2mfn s GLY 86 Ca 0.06 -1.12 0.04 0.00 0.00 0.00 0.00 44.72 43.70 2mfn s GLY 86 CO -0.01 -1.18 -0.17 1.62 0.00 0.00 0.00 173.10 173.36 2mfn s GLN 87 N -3.94 2.67 -0.01 2.90 0.74 -1.26 -1.68 119.66 119.08 2mfn s GLN 87 Ca 0.11 -0.76 0.04 0.00 0.05 0.00 0.00 55.36 54.80 2mfn s GLN 87 Cb 0.07 -2.36 -0.01 0.00 1.10 0.00 0.00 33.01 31.81 2mfn s GLN 87 CO -0.07 0.48 -0.12 -0.65 -0.55 0.00 0.00 175.29 174.37 2mfn s GLN 88 N -0.36 1.08 -0.09 1.67 -1.52 0.25 -4.96 119.66 115.73 2mfn s GLN 88 Ca 0.03 -0.44 0.00 0.00 -1.95 0.00 0.00 55.36 53.00 2mfn s GLN 88 Cb -0.12 -1.02 -0.03 0.00 -0.22 0.00 0.00 33.01 31.61 2mfn s GLN 88 CO 0.02 0.25 -0.07 0.00 -0.25 0.00 0.00 175.29 175.24 2mfn s ALA 89 N -0.20 2.93 0.24 6.09 0.00 -1.26 0.18 121.76 129.75 2mfn s ALA 89 Ca 0.03 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 2mfn s ALA 89 Cb -0.06 -1.26 -0.09 0.00 0.00 0.00 0.00 23.12 21.71 2mfn s ALA 89 CO -0.00 0.49 0.95 0.95 0.00 0.00 0.00 175.76 178.14 2mfn s THR 90 N -0.51 4.04 1.16 0.00 -4.23 0.47 -4.85 115.64 111.72 2mfn s THR 90 Ca 0.08 2.05 -0.17 0.00 -1.18 0.00 0.00 61.69 62.47 2mfn s THR 90 Cb -0.12 -4.30 0.19 0.00 1.34 0.00 0.00 72.50 69.61 2mfn s THR 90 CO 0.02 0.48 0.41 0.52 -0.54 0.00 0.00 174.62 175.52 2mfn n VAL 91 N 1.45 0.00 -3.73 2.29 0.31 -1.25 -2.46 118.33 114.94 2mfn n VAL 91 Ca -0.02 -0.38 -0.37 0.00 -0.01 0.00 0.00 64.34 63.57 2mfn n VAL 91 Cb 0.47 -0.77 -0.06 0.00 -0.91 0.00 0.00 33.84 32.57 2mfn n VAL 91 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2mfn s SER 92 N -2.07 6.51 0.14 4.52 0.15 -1.26 0.24 113.70 121.93 2mfn s SER 92 Ca 0.61 0.60 -0.11 0.00 0.70 0.00 0.00 55.95 57.75 2mfn s SER 92 Cb -0.17 -2.13 -0.05 0.00 -1.71 0.00 0.00 66.02 61.95 2mfn s SER 92 CO 0.66 0.34 1.47 0.44 1.20 0.00 0.00 173.24 177.34 2mfn h ASP 93 N 5.15 1.00 -3.83 5.45 3.32 -1.94 -3.36 116.42 122.22 2mfn h ASP 93 Ca -0.52 -0.47 -0.51 0.00 0.02 0.00 0.00 57.03 55.55 2mfn h ASP 93 Cb 1.22 -0.28 0.03 0.00 0.22 0.00 0.00 39.33 40.51 2mfn h ASP 93 CO 0.62 1.27 0.51 -0.63 -1.72 0.00 0.00 179.24 179.28 2mfn s ILE 94 N -4.37 3.33 -1.09 0.35 1.01 -1.26 -4.68 121.20 114.49 2mfn s ILE 94 Ca -0.11 1.33 -0.25 0.00 0.00 0.00 0.00 60.65 61.62 2mfn s ILE 94 Cb 0.11 -3.84 -0.17 0.00 0.01 0.00 0.00 42.46 38.57 2mfn s ILE 94 CO 0.88 0.31 2.08 -2.16 0.00 0.00 0.00 174.94 176.05 2mfn s PRO 95 N -1.56 1.64 1.04 2.79 0.05 -1.26 -4.82 135.00 132.89 2mfn s PRO 95 Ca 0.46 -0.59 -0.12 0.00 0.05 0.00 0.00 61.00 60.80 2mfn s PRO 95 Cb -0.33 -5.05 0.21 0.00 0.05 0.00 0.00 34.50 29.38 2mfn s PRO 95 CO 0.43 -4.91 1.08 0.50 0.05 0.00 0.00 177.00 174.14 2mfn s ARG 96 N 7.84 0.07 -1.00 4.56 3.52 -1.26 -4.00 118.95 128.69 2mfn s ARG 96 Ca 0.78 1.04 -0.05 0.00 -0.13 0.00 0.00 55.73 57.36 2mfn s ARG 96 Cb -0.04 -1.65 0.01 0.00 -1.56 0.00 0.00 34.95 31.70 2mfn s ARG 96 CO 0.15 -3.11 0.86 -0.25 -0.81 0.00 0.00 175.30 172.14 2mfn n ASP 97 N -4.51 -4.57 -4.57 -2.12 8.00 -1.26 -0.42 116.55 107.10 2mfn n ASP 97 Ca 0.06 -0.42 -0.42 0.00 0.71 0.00 0.00 54.79 54.73 2mfn n ASP 97 Cb 0.54 -3.93 -0.03 0.00 -0.02 0.00 0.00 41.12 37.68 2mfn n ASP 97 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2mfn s LEU 98 N -5.65 3.33 0.24 0.64 2.96 -1.26 -4.02 118.68 114.93 2mfn s LEU 98 Ca 0.34 -0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 54.03 2mfn s LEU 98 Cb -0.15 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.61 2mfn s LEU 98 CO 0.55 -1.64 0.43 -1.61 -1.32 0.00 0.00 176.35 172.76 2mfn s GLU 99 N 5.30 1.50 -0.11 1.98 2.02 -1.08 -4.87 118.70 123.45 2mfn s GLU 99 Ca 0.40 -1.31 -0.04 0.00 0.02 0.00 0.00 54.97 54.04 2mfn s GLU 99 Cb -0.08 0.44 -0.04 0.00 0.10 0.00 0.00 34.13 34.56 2mfn s GLU 99 CO 0.21 -0.61 0.06 0.08 0.02 0.00 0.00 175.26 175.03 2mfn s VAL 100 N -4.04 4.84 -0.30 2.63 1.01 -1.26 -2.00 120.40 121.28 2mfn s VAL 100 Ca 0.25 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.25 2mfn s VAL 100 Cb 0.00 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 2mfn s VAL 100 CO 0.10 0.60 0.28 2.30 0.00 0.00 0.00 175.10 178.37 2mfn n ILE 101 N 2.19 0.00 -3.88 2.22 -5.35 -1.00 -4.96 119.36 108.58 2mfn n ILE 101 Ca -0.19 -0.33 -0.16 0.00 -0.27 0.00 0.00 62.75 61.80 2mfn n ILE 101 Cb 0.54 0.97 -0.16 0.00 -1.74 0.00 0.00 39.64 39.25 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 -1.67 0.22 -0.42 -1.28 0.00 -1.26 -5.01 121.76 112.33 2mfn s ALA 102 Ca 0.02 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.17 2mfn s ALA 102 Cb 0.05 -0.27 0.11 0.00 0.00 0.00 0.00 23.12 23.02 2mfn s ALA 102 CO 0.28 -0.07 0.20 -1.54 0.00 0.00 0.00 175.76 174.62 2mfn s SER 103 N 0.94 5.11 0.30 0.00 1.04 -1.26 -2.05 113.70 117.78 2mfn s SER 103 Ca -0.09 -2.19 -0.11 0.00 0.48 0.00 0.00 55.95 54.03 2mfn s SER 103 Cb -0.12 -1.78 -0.08 0.00 0.10 0.00 0.00 66.02 64.14 2mfn s SER 103 CO -0.02 -0.48 0.65 0.42 0.98 0.00 0.00 173.24 174.79 2mfn s THR 104 N 0.89 4.83 0.52 2.02 -4.23 0.88 -4.96 115.64 115.58 2mfn s THR 104 Ca 0.10 0.63 0.26 0.00 -1.18 0.00 0.00 61.69 61.50 2mfn s THR 104 Cb -0.22 -3.64 0.42 0.00 1.34 0.00 0.00 72.50 70.40 2mfn s THR 104 CO -0.05 -0.20 1.95 -0.65 -0.54 0.00 0.00 174.62 175.13 2mfn h PRO 105 N 2.17 0.06 0.00 3.99 0.10 -2.00 -2.74 132.00 133.57 2mfn h PRO 105 Ca -0.47 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.62 2mfn h PRO 105 Cb 1.18 -0.01 0.00 0.00 0.10 0.00 0.00 31.00 32.26 2mfn h PRO 105 CO 0.67 0.04 -0.07 0.25 0.10 0.00 0.00 178.00 178.99 2mfn n THR 106 N -4.36 0.69 -3.51 -1.15 -2.24 -1.26 -4.21 114.28 98.23 2mfn n THR 106 Ca 0.13 -0.75 -0.11 0.00 -2.27 0.00 0.00 64.05 61.05 2mfn n THR 106 Cb 0.72 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.98 -0.50 0.07 3.42 1.04 -1.04 -3.23 113.70 112.48 2mfn s SER 107 Ca 0.05 -0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.38 2mfn s SER 107 Cb 0.04 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 2mfn s SER 107 CO 0.00 -1.04 -0.08 -0.76 0.98 0.00 0.00 173.24 172.35 2mfn s LEU 108 N -2.78 2.36 -0.27 2.42 1.43 -0.82 -0.09 118.68 120.93 2mfn s LEU 108 Ca 0.03 -0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 52.31 2mfn s LEU 108 Cb -0.02 -0.14 -0.04 0.00 0.03 0.00 0.00 46.19 46.02 2mfn s LEU 108 CO -0.09 -0.30 0.14 -0.22 0.23 0.00 0.00 176.35 176.10 2mfn s LEU 109 N -2.16 3.76 -0.12 1.79 0.20 -0.87 -1.25 118.68 120.04 2mfn s LEU 109 Ca -0.01 -0.10 -0.03 0.00 0.69 0.00 0.00 54.13 54.68 2mfn s LEU 109 Cb -0.04 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.66 2mfn s LEU 109 CO -0.01 -0.04 -0.01 0.27 -0.29 0.00 0.00 176.35 176.26 2mfn s ILE 110 N 1.69 4.21 -0.00 6.68 -4.36 -0.19 -2.37 121.20 126.86 2mfn s ILE 110 Ca 0.07 -0.27 0.01 0.00 -0.26 0.00 0.00 60.65 60.20 2mfn s ILE 110 Cb -0.16 -2.80 -0.00 0.00 1.25 0.00 0.00 42.46 40.75 2mfn s ILE 110 CO 0.08 0.56 -0.05 -0.44 0.24 0.00 0.00 174.94 175.32 2mfn s SER 111 N -0.37 0.56 0.05 4.36 0.01 -0.85 -0.45 113.70 117.02 2mfn s SER 111 Ca 0.07 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.19 2mfn s SER 111 Cb -0.12 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 2mfn s SER 111 CO 0.02 0.06 0.10 -1.66 0.41 0.00 0.00 173.24 172.17 2mfn s TRP 112 N -0.11 0.24 0.05 2.43 -2.14 -1.08 -2.62 118.94 115.71 2mfn s TRP 112 Ca 0.02 -0.62 -0.31 0.00 2.66 0.00 0.00 56.10 57.85 2mfn s TRP 112 Cb -0.02 -0.16 -0.07 0.00 -3.10 0.00 0.00 33.47 30.13 2mfn s TRP 112 CO -0.00 -0.42 1.40 -1.21 -2.66 0.00 0.00 176.95 174.06 2mfn s GLU 113 N -3.18 4.30 0.10 3.25 0.41 0.44 -4.79 118.70 119.23 2mfn s GLU 113 Ca -0.00 2.01 -0.31 0.00 -0.41 0.00 0.00 54.97 56.26 2mfn s GLU 113 Cb 0.02 -3.44 -0.09 0.00 -1.78 0.00 0.00 34.13 28.85 2mfn s GLU 113 CO -0.07 -0.51 1.68 -1.25 -0.49 0.00 0.00 175.26 174.62 2mfn s PRO 114 N 1.83 4.19 1.39 0.39 0.05 -1.26 -4.06 135.00 137.53 2mfn s PRO 114 Ca 0.64 2.39 -0.21 0.00 0.05 0.00 0.00 61.00 63.88 2mfn s PRO 114 Cb -0.34 -3.52 0.36 0.00 0.05 0.00 0.00 34.50 31.05 2mfn s PRO 114 CO 0.28 -0.74 0.93 -2.14 0.05 0.00 0.00 177.00 175.38 2mfn s PRO 115 N 2.42 -2.72 -0.27 0.56 0.01 -1.26 -4.93 135.00 128.80 2mfn s PRO 115 Ca 0.75 0.35 0.12 0.00 0.01 0.00 0.00 61.00 62.22 2mfn s PRO 115 Cb -0.42 -1.38 0.58 0.00 0.01 0.00 0.00 34.50 33.29 2mfn s PRO 115 CO 0.33 -4.79 1.56 0.00 0.01 0.00 0.00 177.00 174.11 2mfn n ALA 116 N -5.60 3.99 -2.28 -1.55 0.00 -1.26 -4.97 120.51 108.84 2mfn n ALA 116 Ca 0.10 -2.64 -0.16 0.00 0.00 0.00 0.00 53.44 50.74 2mfn n ALA 116 Cb 0.58 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 19.03 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 -3.04 1.35 0.13 0.00 -7.23 -1.26 -3.31 120.40 107.03 2mfn s VAL 117 Ca 0.47 -2.11 -0.31 0.00 -1.81 0.00 0.00 61.98 58.22 2mfn s VAL 117 Cb 0.40 -1.92 -0.09 0.00 0.56 0.00 0.00 36.38 35.33 2mfn s VAL 117 CO 0.07 -0.69 1.44 -0.44 -0.31 0.00 0.00 175.10 175.17 2mfn s SER 118 N -3.22 6.75 -0.06 4.85 0.01 -1.26 -5.00 113.70 115.77 2mfn s SER 118 Ca 0.19 2.42 0.03 0.00 1.31 0.00 0.00 55.95 59.90 2mfn s SER 118 Cb 0.02 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2mfn s SER 118 CO 0.03 -0.70 -0.16 -0.69 0.41 0.00 0.00 173.24 172.12 2mfn s VAL 119 N 1.11 1.39 -0.04 3.43 1.01 -1.26 -4.59 120.40 121.45 2mfn s VAL 119 Ca 0.66 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.76 2mfn s VAL 119 Cb -0.39 -1.23 -0.17 0.00 0.00 0.00 0.00 36.38 34.59 2mfn s VAL 119 CO 0.31 0.41 0.99 0.03 0.00 0.00 0.00 175.10 176.83 2mfn h ARG 120 N 6.65 -0.19 -2.28 2.72 2.47 -0.93 -3.44 114.38 119.37 2mfn h ARG 120 Ca -0.29 0.01 0.19 0.00 -1.26 0.00 0.00 59.98 58.63 2mfn h ARG 120 Cb 1.19 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 29.47 2mfn h ARG 120 CO 0.48 0.25 0.51 1.52 0.56 0.00 0.00 179.97 183.29 2mfn s TYR 121 N -3.70 -0.11 -0.06 3.04 1.13 -1.05 -3.55 117.35 113.05 2mfn s TYR 121 Ca -0.14 -0.18 0.04 0.00 -1.41 0.00 0.00 57.07 55.38 2mfn s TYR 121 Cb 0.01 0.64 -0.02 0.00 -1.10 0.00 0.00 41.96 41.48 2mfn s TYR 121 CO 0.53 -0.80 -0.18 0.71 -2.51 0.00 0.00 175.55 173.31 2mfn s TYR 122 N -3.19 2.62 -0.25 -3.49 1.51 -1.02 -0.64 117.35 112.89 2mfn s TYR 122 Ca 0.13 -0.37 -0.10 0.00 -1.01 0.00 0.00 57.07 55.71 2mfn s TYR 122 Cb -0.01 -1.64 -0.05 0.00 -0.11 0.00 0.00 41.96 40.15 2mfn s TYR 122 CO 0.02 0.02 0.16 0.50 -1.11 0.00 0.00 175.55 175.15 2mfn s ARG 123 N -0.45 4.00 -0.07 -0.62 3.52 0.31 -0.77 118.95 124.87 2mfn s ARG 123 Ca 0.05 -0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.36 2mfn s ARG 123 Cb -0.12 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 2mfn s ARG 123 CO 0.02 -0.04 -0.07 0.42 -0.81 0.00 0.00 175.30 174.82 2mfn s ILE 124 N 1.33 3.73 -0.06 4.11 1.01 -0.25 0.84 121.20 131.91 2mfn s ILE 124 Ca 0.07 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.29 2mfn s ILE 124 Cb -0.14 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 2mfn s ILE 124 CO 0.07 0.60 -0.17 0.42 0.00 0.00 0.00 174.94 175.86 2mfn s THR 125 N -0.79 2.81 -0.16 2.92 -4.23 0.33 -1.10 115.64 115.42 2mfn s THR 125 Ca 0.12 -0.80 -0.26 0.00 -1.18 0.00 0.00 61.69 59.57 2mfn s THR 125 Cb -0.11 -2.10 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 2mfn s THR 125 CO 0.01 0.57 0.84 -0.31 -0.54 0.00 0.00 174.62 175.20 2mfn s TYR 126 N -0.41 3.44 -0.19 3.99 1.51 -0.43 -2.50 117.35 122.76 2mfn s TYR 126 Ca 0.04 1.29 -0.05 0.00 -1.01 0.00 0.00 57.07 57.34 2mfn s TYR 126 Cb -0.12 -3.02 -0.03 0.00 -0.11 0.00 0.00 41.96 38.68 2mfn s TYR 126 CO 0.02 -0.22 -0.01 0.20 -1.11 0.00 0.00 175.55 174.43 2mfn s GLY 127 N 1.13 1.73 0.27 0.71 0.00 0.30 -2.85 107.32 108.62 2mfn s GLY 127 Ca 0.39 -0.92 0.07 0.00 0.00 0.00 0.00 44.72 44.27 2mfn s GLY 127 CO 0.13 0.13 0.19 -0.54 0.00 0.00 0.00 173.10 173.02 2mfn s GLU 128 N 0.76 2.80 0.00 2.90 2.02 -1.26 0.48 118.70 126.41 2mfn s GLU 128 Ca 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 53.83 2mfn s GLU 128 Cb -0.14 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.60 2mfn s GLU 128 CO 0.02 0.33 0.00 0.25 0.02 0.00 0.00 175.26 175.88 2mfn n THR 129 N -1.19 0.00 0.00 3.63 -2.24 0.37 -4.64 114.28 110.21 2mfn n THR 129 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2mfn n THR 129 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.86 -0.39 0.00 3.38 0.00 -1.26 -4.88 105.19 101.18 2mfn n GLY 130 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -2.33 0.94 -0.02 0.00 -1.26 -3.89 105.19 98.62 2mfn n GLY 131 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.57 2.95 -2.55 1.61 5.03 -1.26 -4.96 115.26 114.51 2mfn n ASN 132 Ca 0.00 -1.97 -0.16 0.00 0.87 0.00 0.00 54.58 53.32 2mfn n ASN 132 Cb 0.00 -0.00 0.05 0.00 -1.02 0.00 0.00 39.78 38.81 2mfn n ASN 132 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2mfn n SER 133 N 1.31 -4.86 -4.56 6.41 2.88 -1.25 -4.86 113.62 108.69 2mfn n SER 133 Ca 0.14 -0.36 -0.13 0.00 -1.33 0.00 0.00 58.87 57.18 2mfn n SER 133 Cb 0.58 -3.50 -0.09 0.00 -0.75 0.00 0.00 64.21 60.45 2mfn n SER 133 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2mfn n PRO 134 N -3.48 0.38 -3.48 -1.46 -0.04 -1.26 -4.91 135.00 120.76 2mfn n PRO 134 Ca 0.00 -1.12 -0.38 0.00 -0.04 0.00 0.00 63.50 61.97 2mfn n PRO 134 Cb 0.54 -3.69 -0.06 0.00 -0.04 0.00 0.00 33.50 30.25 2mfn n PRO 134 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2mfn s VAL 135 N 15.28 5.06 -0.31 0.52 -7.23 -1.26 -4.30 120.40 128.17 2mfn s VAL 135 Ca 0.89 0.84 0.03 0.00 -1.81 0.00 0.00 61.98 61.93 2mfn s VAL 135 Cb -0.12 -3.72 0.08 0.00 0.56 0.00 0.00 36.38 33.18 2mfn s VAL 135 CO 0.13 0.53 -0.02 -1.10 -0.31 0.00 0.00 175.10 174.34 2mfn s GLN 136 N -0.75 1.82 0.13 4.82 -0.21 -1.13 -4.85 119.66 119.48 2mfn s GLN 136 Ca 0.24 -1.65 -0.21 0.00 0.02 0.00 0.00 55.36 53.76 2mfn s GLN 136 Cb -0.16 -3.08 -0.07 0.00 1.00 0.00 0.00 33.01 30.69 2mfn s GLN 136 CO 0.12 -0.78 0.67 -1.21 -2.12 0.00 0.00 175.29 171.97 2mfn s GLU 137 N 0.99 4.34 0.01 2.91 2.02 -1.26 -1.31 118.70 126.40 2mfn s GLU 137 Ca 0.02 0.90 -0.06 0.00 0.02 0.00 0.00 54.97 55.86 2mfn s GLU 137 Cb -0.19 -3.19 -0.00 0.00 0.10 0.00 0.00 34.13 30.84 2mfn s GLU 137 CO -0.07 0.58 0.11 -0.59 0.02 0.00 0.00 175.26 175.31 2mfn s PHE 138 N -1.19 0.08 0.60 1.61 -0.12 -0.26 -5.00 117.98 113.70 2mfn s PHE 138 Ca 0.34 -0.21 -0.03 0.00 -0.05 0.00 0.00 56.93 56.98 2mfn s PHE 138 Cb -0.20 -0.07 0.04 0.00 -0.63 0.00 0.00 43.02 42.15 2mfn s PHE 138 CO 0.22 -0.27 0.87 0.95 -0.05 0.00 0.00 175.22 176.93 2mfn s THR 139 N -1.41 2.80 -0.06 -4.49 -4.23 -1.26 -1.09 115.64 105.90 2mfn s THR 139 Ca -0.15 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 2mfn s THR 139 Cb -0.08 -3.11 0.02 0.00 1.34 0.00 0.00 72.50 70.67 2mfn s THR 139 CO 0.01 -0.10 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.27 2mfn s VAL 140 N -2.94 0.55 0.80 2.29 1.01 0.05 -4.85 120.40 117.31 2mfn s VAL 140 Ca 0.57 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.32 2mfn s VAL 140 Cb -0.10 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.72 2mfn s VAL 140 CO 0.41 0.25 0.92 -2.65 0.00 0.00 0.00 175.10 174.03 2mfn n PRO 141 N 4.35 0.18 0.00 2.72 -0.01 -1.26 -2.43 135.00 138.54 2mfn n PRO 141 Ca -0.20 0.12 0.15 0.00 -0.01 0.00 0.00 63.50 63.57 2mfn n PRO 141 Cb 0.51 -2.21 0.89 0.00 -0.01 0.00 0.00 33.50 32.68 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 0.97 -0.96 1.05 -1.23 0.00 -1.23 -3.01 105.19 100.79 2mfn n GLY 142 Ca 0.12 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.07 2mfn n GLY 142 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2mfn n SER 143 N -1.02 3.22 -4.40 1.61 3.41 -1.26 -4.89 113.62 110.30 2mfn n SER 143 Ca 0.22 -2.00 -0.33 0.00 -0.26 0.00 0.00 58.87 56.50 2mfn n SER 143 Cb 0.11 -0.11 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 2mfn n SER 143 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2mfn s LYS 144 N -1.77 3.46 0.00 4.33 -0.14 -1.16 -4.96 119.74 119.49 2mfn s LYS 144 Ca 0.33 -0.63 0.24 0.00 -1.36 0.00 0.00 55.97 54.55 2mfn s LYS 144 Cb 0.21 -2.76 0.33 0.00 -1.68 0.00 0.00 37.83 33.94 2mfn s LYS 144 CO 0.31 0.16 1.29 0.43 -0.76 0.00 0.00 175.35 176.79 2mfn n SER 145 N 3.70 1.26 -4.07 2.83 7.64 -1.26 -4.90 113.62 118.83 2mfn n SER 145 Ca -0.18 -1.01 -0.08 0.00 1.01 0.00 0.00 58.87 58.61 2mfn n SER 145 Cb 0.52 0.39 -0.10 0.00 -1.01 0.00 0.00 64.21 64.01 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 -2.64 0.23 0.08 0.44 -4.23 -1.26 -2.62 115.64 105.64 2mfn s THR 146 Ca 0.18 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 2mfn s THR 146 Cb 0.18 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 2mfn s THR 146 CO 0.62 -0.84 -0.05 0.00 -0.54 0.00 0.00 174.62 173.80 2mfn s ALA 147 N -3.17 0.79 -0.05 3.99 0.00 0.40 -4.98 121.76 118.76 2mfn s ALA 147 Ca 0.01 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.66 2mfn s ALA 147 Cb 0.02 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2mfn s ALA 147 CO -0.07 -0.29 0.03 0.99 0.00 0.00 0.00 175.76 176.42 2mfn s THR 148 N -3.74 4.45 -0.21 0.00 2.01 -1.26 -1.02 115.64 115.87 2mfn s THR 148 Ca 0.10 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.74 2mfn s THR 148 Cb 0.06 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.63 2mfn s THR 148 CO -0.07 0.49 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.63 2mfn s ILE 149 N -1.01 2.96 0.43 1.82 -1.09 -0.38 -4.96 121.20 118.98 2mfn s ILE 149 Ca 0.17 -0.63 0.04 0.00 -2.23 0.00 0.00 60.65 58.00 2mfn s ILE 149 Cb -0.12 -2.32 -0.05 0.00 -1.58 0.00 0.00 42.46 38.40 2mfn s ILE 149 CO 0.07 0.46 0.03 0.20 -1.23 0.00 0.00 174.94 174.47 2mfn s ASN 150 N 1.41 3.66 -0.93 3.58 0.02 -1.26 -1.95 114.94 119.48 2mfn s ASN 150 Ca 0.05 -1.50 -0.02 0.00 -1.02 0.00 0.00 52.86 50.37 2mfn s ASN 150 Cb -0.14 0.06 0.00 0.00 0.02 0.00 0.00 41.25 41.20 2mfn s ASN 150 CO -0.06 -0.66 0.79 -3.20 0.02 0.00 0.00 177.10 173.98 2mfn n ASN 151 N -1.07 -3.23 -4.66 -1.22 5.15 -1.24 -4.99 115.26 103.99 2mfn n ASN 151 Ca -0.10 -0.43 -0.28 0.00 -0.60 0.00 0.00 54.58 53.17 2mfn n ASN 151 Cb 0.67 -3.88 -0.08 0.00 -0.53 0.00 0.00 39.78 35.96 2mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2mfn s ILE 152 N -3.25 3.77 -0.42 -1.44 2.07 -1.20 -5.09 121.20 115.64 2mfn s ILE 152 Ca 0.16 -1.30 -0.16 0.00 -1.41 0.00 0.00 60.65 57.94 2mfn s ILE 152 Cb -0.07 -2.86 0.02 0.00 0.13 0.00 0.00 42.46 39.68 2mfn s ILE 152 CO 0.54 -0.03 0.37 -0.54 -1.91 0.00 0.00 174.94 173.37 2mfn s LYS 153 N -2.72 3.03 0.69 3.50 1.02 -1.26 -4.81 119.74 119.19 2mfn s LYS 153 Ca 0.26 -0.89 -0.15 0.00 0.02 0.00 0.00 55.97 55.22 2mfn s LYS 153 Cb -0.10 -3.97 0.02 0.00 -0.52 0.00 0.00 37.83 33.25 2mfn s LYS 153 CO 0.18 -0.81 1.15 -1.25 -0.92 0.00 0.00 175.35 173.71 2mfn s PRO 154 N 1.92 2.52 0.00 -1.68 0.05 -1.26 -3.46 135.00 133.08 2mfn s PRO 154 Ca 0.09 1.56 0.00 0.00 0.05 0.00 0.00 61.00 62.70 2mfn s PRO 154 Cb -0.18 -1.90 0.00 0.00 0.05 0.00 0.00 34.50 32.47 2mfn s PRO 154 CO 0.12 -1.50 0.00 0.41 0.05 0.00 0.00 177.00 176.08 2mfn n GLY 155 N -0.08 0.44 3.01 0.56 0.00 -0.97 -5.03 105.19 103.12 2mfn n GLY 155 Ca 0.12 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 0.34 0.56 4.61 0.00 -1.22 -4.91 121.76 119.14 2mfn s ALA 156 Ca 0.00 -0.63 -0.19 0.00 0.00 0.00 0.00 51.96 51.14 2mfn s ALA 156 Cb 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 2mfn s ALA 156 CO 0.00 -0.07 1.12 0.34 0.00 0.00 0.00 175.76 177.15 2mfn s ASP 157 N -1.39 5.65 0.12 0.00 -1.08 -1.26 -1.26 116.67 117.44 2mfn s ASP 157 Ca -0.12 2.14 -0.01 0.00 -0.52 0.00 0.00 52.55 54.05 2mfn s ASP 157 Cb -0.09 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.75 2mfn s ASP 157 CO -0.00 -1.27 0.03 -0.31 0.52 0.00 0.00 175.17 174.14 2mfn s TYR 158 N -1.87 0.84 -0.12 -5.34 1.51 0.54 0.14 117.35 113.05 2mfn s TYR 158 Ca 0.72 -1.17 -0.02 0.00 -1.01 0.00 0.00 57.07 55.58 2mfn s TYR 158 Cb -0.23 -0.49 0.04 0.00 -0.11 0.00 0.00 41.96 41.17 2mfn s TYR 158 CO 0.29 -0.45 0.03 0.99 -1.11 0.00 0.00 175.55 175.30 2mfn s THR 159 N -3.97 0.29 -0.25 -0.71 2.01 0.18 0.09 115.64 113.27 2mfn s THR 159 Ca 0.21 -0.09 -0.09 0.00 0.31 0.00 0.00 61.69 62.02 2mfn s THR 159 Cb 0.07 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 2mfn s THR 159 CO -0.00 0.02 0.13 -0.63 -0.69 0.00 0.00 174.62 173.44 2mfn s ILE 160 N 1.99 4.88 0.05 1.82 -1.09 -0.52 0.11 121.20 128.44 2mfn s ILE 160 Ca 0.03 0.02 0.04 0.00 -2.23 0.00 0.00 60.65 58.51 2mfn s ILE 160 Cb -0.14 -3.29 -0.02 0.00 -1.58 0.00 0.00 42.46 37.42 2mfn s ILE 160 CO -0.06 0.32 -0.12 -0.89 -1.23 0.00 0.00 174.94 172.96 2mfn s THR 161 N 1.43 0.91 0.03 2.92 2.01 -1.04 -1.08 115.64 120.81 2mfn s THR 161 Ca 0.06 -1.12 -0.01 0.00 0.31 0.00 0.00 61.69 60.93 2mfn s THR 161 Cb -0.15 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 2mfn s THR 161 CO 0.06 -0.20 -0.01 -1.48 -0.69 0.00 0.00 174.62 172.30 2mfn s LEU 162 N -1.47 2.21 -0.03 4.42 0.05 -0.92 0.12 118.68 123.06 2mfn s LEU 162 Ca -0.03 -0.59 0.08 0.00 0.05 0.00 0.00 54.13 53.64 2mfn s LEU 162 Cb -0.09 0.20 -0.02 0.00 -2.05 0.00 0.00 46.19 44.23 2mfn s LEU 162 CO 0.01 -0.39 -0.26 -0.31 -0.55 0.00 0.00 176.35 174.86 2mfn s TYR 163 N -2.07 2.34 -0.24 3.48 1.51 0.25 -2.71 117.35 119.90 2mfn s TYR 163 Ca -0.10 -0.48 -0.10 0.00 -1.01 0.00 0.00 57.07 55.37 2mfn s TYR 163 Cb -0.05 -1.51 -0.05 0.00 -0.11 0.00 0.00 41.96 40.24 2mfn s TYR 163 CO -0.03 -0.07 0.16 0.00 -1.11 0.00 0.00 175.55 174.50 2mfn s ALA 164 N -0.54 3.59 -0.24 3.71 0.00 -1.26 0.11 121.76 127.13 2mfn s ALA 164 Ca 0.08 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.05 2mfn s ALA 164 Cb -0.11 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 2mfn s ALA 164 CO -0.00 -0.24 0.06 0.08 0.00 0.00 0.00 175.76 175.66 2mfn s VAL 165 N 1.15 4.29 -0.04 0.00 1.01 0.19 -0.83 120.40 126.15 2mfn s VAL 165 Ca 0.07 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.93 2mfn s VAL 165 Cb -0.14 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 2mfn s VAL 165 CO 0.05 0.35 -0.23 0.42 0.00 0.00 0.00 175.10 175.70 2mfn s THR 166 N 1.52 1.86 -0.19 3.92 -4.23 0.99 -0.21 115.64 119.30 2mfn s THR 166 Ca 0.06 -0.97 -0.16 0.00 -1.18 0.00 0.00 61.69 59.44 2mfn s THR 166 Cb -0.15 -1.57 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 2mfn s THR 166 CO 0.03 0.52 0.39 -0.83 -0.54 0.00 0.00 174.62 174.20 2mfn s GLY 167 N -0.22 2.13 0.00 3.99 0.00 -1.26 0.44 107.32 112.39 2mfn s GLY 167 Ca -0.00 -0.48 0.19 0.00 0.00 0.00 0.00 44.72 44.42 2mfn s GLY 167 CO 0.02 0.76 1.37 0.54 0.00 0.00 0.00 173.10 175.79 2mfn n ARG 168 N 4.27 2.55 0.00 2.90 1.74 -1.25 -4.90 116.66 121.97 2mfn n ARG 168 Ca -0.09 -2.28 0.00 0.00 -0.77 0.00 0.00 57.85 54.71 2mfn n ARG 168 Cb 0.51 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 2mfn n ARG 168 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2mfn n GLY 169 N 1.22 0.19 0.13 -0.13 0.00 -1.26 -4.60 105.19 100.74 2mfn n GLY 169 Ca 0.18 -1.31 0.13 0.00 0.00 0.00 0.00 46.02 45.02 2mfn n GLY 169 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2mfn h ASP 170 N 0.00 0.00 -3.53 1.61 3.32 -2.03 -3.36 116.42 112.43 2mfn h ASP 170 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2mfn h ASP 170 Cb 0.00 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.15 2mfn h ASP 170 CO 0.00 0.00 -0.72 -0.44 -1.72 0.00 0.00 179.24 176.36 2mfn s SER 171 N -4.51 3.72 1.22 6.45 0.01 -1.26 -5.12 113.70 114.22 2mfn s SER 171 Ca 0.06 -2.81 -0.12 0.00 1.31 0.00 0.00 55.95 54.39 2mfn s SER 171 Cb 0.10 -1.14 0.18 0.00 0.21 0.00 0.00 66.02 65.38 2mfn s SER 171 CO 0.48 -0.24 0.46 -2.65 0.41 0.00 0.00 173.24 171.70 2mfn n PRO 172 N 3.31 -3.16 -3.55 12.44 -0.02 -1.26 -3.79 135.00 138.98 2mfn n PRO 172 Ca 0.10 -0.77 -0.11 0.00 -2.02 0.00 0.00 63.50 60.71 2mfn n PRO 172 Cb 0.35 -0.92 -0.03 0.00 -0.02 0.00 0.00 33.50 32.87 2mfn n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2mfn s ALA 173 N -2.27 -1.21 -0.00 3.55 0.00 0.17 -4.67 121.76 117.33 2mfn s ALA 173 Ca 0.34 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.49 2mfn s ALA 173 Cb -0.05 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 2mfn s ALA 173 CO 0.28 -0.70 -0.07 -1.54 0.00 0.00 0.00 175.76 173.74 2mfn s SER 174 N -2.78 0.81 0.75 0.00 1.04 -1.26 -0.01 113.70 112.25 2mfn s SER 174 Ca 0.02 -0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.21 2mfn s SER 174 Cb 0.01 -0.09 0.04 0.00 0.10 0.00 0.00 66.02 66.08 2mfn s SER 174 CO -0.12 0.08 1.08 -0.94 0.98 0.00 0.00 173.24 174.32 2mfn s SER 175 N -0.18 4.86 0.26 7.02 1.04 -0.01 -4.95 113.70 121.74 2mfn s SER 175 Ca 0.02 1.50 -0.30 0.00 0.48 0.00 0.00 55.95 57.66 2mfn s SER 175 Cb -0.03 -2.30 -0.11 0.00 0.10 0.00 0.00 66.02 63.68 2mfn s SER 175 CO -0.00 -1.76 1.56 -0.54 0.98 0.00 0.00 173.24 173.48 2mfn s LYS 176 N -5.07 4.17 0.27 4.02 1.02 -1.26 -4.39 119.74 118.50 2mfn s LYS 176 Ca 0.60 2.49 -0.31 0.00 0.02 0.00 0.00 55.97 58.77 2mfn s LYS 176 Cb -0.15 -3.06 -0.12 0.00 -0.52 0.00 0.00 37.83 33.98 2mfn s LYS 176 CO 0.55 -0.58 1.57 -0.35 -0.92 0.00 0.00 175.35 175.61 2mfn n PRO 177 N 2.50 2.54 -5.06 -1.68 -0.04 -1.26 -4.83 135.00 127.18 2mfn n PRO 177 Ca 0.09 0.91 -0.32 0.00 -0.04 0.00 0.00 63.50 64.13 2mfn n PRO 177 Cb 0.38 -2.67 -0.16 0.00 -0.04 0.00 0.00 33.50 31.01 2mfn n PRO 177 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2mfn s VAL 178 N 0.12 2.42 0.18 0.52 1.01 -1.10 -4.99 120.40 118.55 2mfn s VAL 178 Ca 0.66 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.82 2mfn s VAL 178 Cb -0.54 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 2mfn s VAL 178 CO 0.47 0.55 -0.13 -0.94 0.00 0.00 0.00 175.10 175.04 2mfn s SER 179 N 0.34 2.32 0.06 3.32 1.04 -1.26 -2.17 113.70 117.36 2mfn s SER 179 Ca -0.16 -0.99 -0.00 0.00 0.48 0.00 0.00 55.95 55.27 2mfn s SER 179 Cb -0.17 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 2mfn s SER 179 CO 0.08 -0.21 -0.04 0.27 0.98 0.00 0.00 173.24 174.32 2mfn s ILE 180 N -2.96 0.35 -0.16 -1.02 -4.36 -0.24 -4.99 121.20 107.82 2mfn s ILE 180 Ca 0.19 -1.85 -0.05 0.00 -0.26 0.00 0.00 60.65 58.69 2mfn s ILE 180 Cb -0.00 -1.57 -0.03 0.00 1.25 0.00 0.00 42.46 42.10 2mfn s ILE 180 CO 0.05 -0.96 -0.01 0.20 0.24 0.00 0.00 174.94 174.46 2mfn s ASN 181 N -2.96 5.06 -0.09 4.36 -0.87 -1.26 -1.44 114.94 117.74 2mfn s ASN 181 Ca 0.09 -0.06 0.03 0.00 -1.57 0.00 0.00 52.86 51.35 2mfn s ASN 181 Cb 0.07 -1.83 0.00 0.00 -0.02 0.00 0.00 41.25 39.47 2mfn s ASN 181 CO -0.08 0.18 -0.21 -0.47 -2.57 0.00 0.00 177.10 173.95 2mfn s TYR 182 N 0.33 2.25 -0.13 2.20 5.04 0.11 -4.93 117.35 122.22 2mfn s TYR 182 Ca -0.02 -0.91 -0.07 0.00 -2.44 0.00 0.00 57.07 53.63 2mfn s TYR 182 Cb -0.14 -1.53 -0.04 0.00 0.35 0.00 0.00 41.96 40.61 2mfn s TYR 182 CO 0.02 -0.38 0.14 0.15 -1.34 0.00 0.00 175.55 174.14 2mfn s LYS 183 N 0.44 3.50 0.00 4.97 1.02 -1.26 0.20 119.74 128.61 2mfn s LYS 183 Ca -0.18 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.68 2mfn s LYS 183 Cb -0.17 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 2mfn s LYS 183 CO 0.07 0.74 0.49 0.25 -0.92 0.00 0.00 175.35 175.98