#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfn n LEU 2 N 0.00 0.00 -4.91 0.99 4.32 -1.26 -5.09 117.00 111.04 1mfn n LEU 2 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.71 1mfn n LEU 2 Cb 0.00 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 1mfn n LEU 2 CO 0.00 0.00 -0.14 -1.81 -1.22 0.00 0.00 177.39 174.22 1mfn s ASP 3 N 0.43 6.24 -0.20 -1.43 1.11 -1.26 -4.94 116.67 116.61 1mfn s ASP 3 Ca 0.00 0.18 -0.15 0.00 0.18 0.00 0.00 52.55 52.75 1mfn s ASP 3 Cb 0.00 -1.87 -0.04 0.00 1.07 0.00 0.00 42.92 42.08 1mfn s ASP 3 CO 0.00 0.10 0.36 -0.44 1.18 0.00 0.00 175.17 176.38 1mfn s SER 4 N -2.90 6.41 -1.23 0.27 0.01 -1.26 -4.62 113.70 110.37 1mfn s SER 4 Ca 0.34 0.48 -0.19 0.00 1.31 0.00 0.00 55.95 57.89 1mfn s SER 4 Cb -0.12 -2.21 0.05 0.00 0.21 0.00 0.00 66.02 63.95 1mfn s SER 4 CO 0.28 -0.04 1.72 -2.16 0.41 0.00 0.00 173.24 173.44 1mfn s PRO 5 N 1.18 3.73 0.00 12.44 0.04 -1.26 -4.62 135.00 146.51 1mfn s PRO 5 Ca 0.18 -1.72 0.00 0.00 0.04 0.00 0.00 61.00 59.49 1mfn s PRO 5 Cb -0.14 -5.47 0.00 0.00 0.04 0.00 0.00 34.50 28.93 1mfn s PRO 5 CO 0.07 -2.46 0.00 0.25 0.04 0.00 0.00 177.00 174.90 1mfn n THR 6 N 6.67 0.00 -2.05 1.26 -2.24 -1.25 -3.95 114.28 112.72 1mfn n THR 6 Ca 0.46 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 62.18 1mfn n THR 6 Cb 0.47 -0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.55 1mfn n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 7 N 3.66 -0.15 3.68 3.38 0.00 -1.26 0.11 105.19 114.61 1mfn n GLY 7 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1mfn n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1mfn n PHE 8 N -2.43 2.36 -4.06 1.61 -0.00 -1.26 -3.13 117.46 110.55 1mfn n PHE 8 Ca -0.07 0.17 -0.15 0.00 -0.00 0.00 0.00 57.45 57.40 1mfn n PHE 8 Cb 0.44 -2.59 -0.03 0.00 -0.00 0.00 0.00 39.48 37.29 1mfn n PHE 8 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1mfn n ASP 9 N 4.17 -1.25 -3.57 -2.13 -0.08 -0.46 -4.89 116.55 108.34 1mfn n ASP 9 Ca 0.18 -2.86 -0.05 0.00 -1.51 0.00 0.00 54.79 50.55 1mfn n ASP 9 Cb 0.30 2.37 -0.07 0.00 2.34 0.00 0.00 41.12 46.07 1mfn n ASP 9 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1mfn s SER 10 N -3.11 -0.61 0.00 1.67 1.04 -1.26 -1.66 113.70 109.77 1mfn s SER 10 Ca 0.29 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.81 1mfn s SER 10 Cb -0.01 1.72 0.00 0.00 0.10 0.00 0.00 66.02 67.83 1mfn s SER 10 CO 0.21 -0.24 0.00 -1.54 0.98 0.00 0.00 173.24 172.65 1mfn n SER 11 N 5.41 0.00 -4.15 7.02 3.41 -0.78 -4.86 113.62 119.67 1mfn n SER 11 Ca -0.08 -0.76 -0.35 0.00 -0.26 0.00 0.00 58.87 57.41 1mfn n SER 11 Cb 0.50 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.39 1mfn n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mfn n ASP 12 N -1.86 -2.22 -4.82 4.04 8.00 -1.26 -1.30 116.55 117.13 1mfn n ASP 12 Ca 0.00 -0.93 -0.33 0.00 0.71 0.00 0.00 54.79 54.24 1mfn n ASP 12 Cb 0.00 -1.90 -0.07 0.00 -0.02 0.00 0.00 41.12 39.13 1mfn n ASP 12 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1mfn s ILE 13 N -3.09 4.41 0.19 0.53 1.01 -1.26 -0.84 121.20 122.15 1mfn s ILE 13 Ca 0.69 1.46 -0.01 0.00 0.00 0.00 0.00 60.65 62.78 1mfn s ILE 13 Cb -0.39 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1mfn s ILE 13 CO 0.85 -0.30 0.13 0.42 0.00 0.00 0.00 174.94 176.04 1mfn s THR 14 N -2.15 0.02 0.01 2.92 -4.23 0.91 -4.86 115.64 108.27 1mfn s THR 14 Ca 0.61 -1.96 -0.20 0.00 -1.18 0.00 0.00 61.69 58.96 1mfn s THR 14 Cb -0.09 -2.40 -0.11 0.00 1.34 0.00 0.00 72.50 71.23 1mfn s THR 14 CO 0.14 -0.08 1.04 0.00 -0.54 0.00 0.00 174.62 175.17 1mfn h ALA 15 N 2.65 -0.93 -0.52 3.99 0.00 -1.81 -2.99 119.26 119.66 1mfn h ALA 15 Ca -0.35 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.16 1mfn h ALA 15 Cb 1.24 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 19.18 1mfn h ALA 15 CO 0.53 -0.87 0.29 0.09 0.00 0.00 0.00 179.25 179.30 1mfn n ASN 16 N -4.54 3.49 0.00 0.00 3.02 -1.26 -3.62 115.26 112.36 1mfn n ASN 16 Ca -0.09 -2.83 0.00 0.00 -0.03 0.00 0.00 54.58 51.62 1mfn n ASN 16 Cb 0.29 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1mfn n ASN 16 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1mfn n SER 17 N -0.27 0.00 -3.61 6.41 3.41 -1.18 -0.95 113.62 117.44 1mfn n SER 17 Ca 0.30 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.80 1mfn n SER 17 Cb 1.09 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.98 1mfn n SER 17 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1mfn s PHE 18 N -2.00 -0.48 0.29 7.33 -0.12 -0.76 0.31 117.98 122.54 1mfn s PHE 18 Ca 0.00 1.05 -0.16 0.00 -0.05 0.00 0.00 56.93 57.77 1mfn s PHE 18 Cb 0.00 0.39 -0.09 0.00 -0.63 0.00 0.00 43.02 42.69 1mfn s PHE 18 CO 0.00 -0.31 0.72 0.99 -0.05 0.00 0.00 175.22 176.57 1mfn s THR 19 N -0.32 4.65 0.43 -4.49 2.01 -0.02 -1.55 115.64 116.36 1mfn s THR 19 Ca -0.00 1.04 0.06 0.00 0.31 0.00 0.00 61.69 63.10 1mfn s THR 19 Cb -0.03 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 1mfn s THR 19 CO -0.02 -0.05 0.06 -0.69 -0.69 0.00 0.00 174.62 173.24 1mfn s VAL 20 N -1.83 1.93 0.18 3.82 1.01 -0.27 -1.86 120.40 123.38 1mfn s VAL 20 Ca 0.50 -1.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.44 1mfn s VAL 20 Cb -0.12 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.43 1mfn s VAL 20 CO 0.19 0.00 0.41 -1.00 0.00 0.00 0.00 175.10 174.69 1mfn s HIS 21 N -2.71 0.13 -0.24 5.22 3.76 -0.66 -2.05 115.29 118.74 1mfn s HIS 21 Ca 0.32 -0.49 -0.28 0.00 -0.15 0.00 0.00 55.06 54.46 1mfn s HIS 21 Cb 0.07 0.18 0.15 0.00 1.11 0.00 0.00 32.58 34.08 1mfn s HIS 21 CO 0.17 -0.83 1.15 1.67 -0.85 0.00 0.00 174.74 176.05 1mfn s TRP 22 N -3.92 -0.29 0.90 1.40 -2.14 -0.74 -1.35 118.94 112.81 1mfn s TRP 22 Ca 0.13 0.60 -0.12 0.00 2.66 0.00 0.00 56.10 59.37 1mfn s TRP 22 Cb 0.01 0.44 0.13 0.00 -3.10 0.00 0.00 33.47 30.95 1mfn s TRP 22 CO -0.01 -0.20 1.13 0.08 -2.66 0.00 0.00 176.95 175.28 1mfn s VAL 23 N -0.51 2.16 0.28 -0.66 1.01 0.29 -4.79 120.40 118.18 1mfn s VAL 23 Ca 0.03 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.10 1mfn s VAL 23 Cb -0.03 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1mfn s VAL 23 CO -0.05 -0.07 0.43 0.00 0.00 0.00 0.00 175.10 175.41 1mfn s ALA 24 N -3.23 3.93 0.63 5.51 0.00 -1.26 -3.82 121.76 123.52 1mfn s ALA 24 Ca 0.63 -1.20 -0.11 0.00 0.00 0.00 0.00 51.96 51.28 1mfn s ALA 24 Cb -0.15 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 1mfn s ALA 24 CO 0.54 0.12 1.04 -1.25 0.00 0.00 0.00 175.76 176.20 1mfn s PRO 25 N -4.10 3.46 -0.09 0.00 0.04 -1.26 -4.64 135.00 128.41 1mfn s PRO 25 Ca 0.38 0.81 0.09 0.00 0.04 0.00 0.00 61.00 62.31 1mfn s PRO 25 Cb -0.09 -2.06 0.40 0.00 0.04 0.00 0.00 34.50 32.79 1mfn s PRO 25 CO 0.31 -0.69 1.19 0.54 0.04 0.00 0.00 177.00 178.39 1mfn n ARG 26 N -2.79 2.70 -4.72 4.56 5.12 -1.26 -4.88 116.66 115.38 1mfn n ARG 26 Ca 0.06 -1.56 -0.32 0.00 -1.93 0.00 0.00 57.85 54.11 1mfn n ARG 26 Cb 0.54 -1.72 -0.08 0.00 -1.16 0.00 0.00 32.46 30.03 1mfn n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1mfn s ALA 27 N -1.79 3.86 0.26 7.54 0.00 -1.26 -4.98 121.76 125.39 1mfn s ALA 27 Ca 0.28 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 1mfn s ALA 27 Cb 0.19 0.12 -0.09 0.00 0.00 0.00 0.00 23.12 23.34 1mfn s ALA 27 CO 0.11 -0.07 1.00 -1.25 0.00 0.00 0.00 175.76 175.55 1mfn s PRO 28 N -3.84 4.77 0.13 0.00 0.04 -1.26 -4.95 135.00 129.89 1mfn s PRO 28 Ca 0.12 1.61 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 1mfn s PRO 28 Cb 0.03 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.34 1mfn s PRO 28 CO 0.06 0.40 0.22 0.44 0.04 0.00 0.00 177.00 178.17 1mfn n ILE 29 N 1.37 0.00 -0.70 0.56 -5.35 -1.26 -4.83 119.36 109.15 1mfn n ILE 29 Ca -0.02 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1mfn n ILE 29 Cb 0.46 0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 1mfn n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1mfn n THR 30 N -0.20 0.10 -1.65 7.28 -2.24 0.42 -4.86 114.28 113.14 1mfn n THR 30 Ca -0.01 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1mfn n THR 30 Cb 0.21 1.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1mfn n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 31 N -0.05 -0.44 2.94 3.38 0.00 -1.07 -3.54 105.19 106.41 1mfn n GLY 31 Ca 0.00 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.32 1mfn n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mfn s TYR 32 N -2.31 -0.21 0.01 1.61 1.51 -0.59 -1.49 117.35 115.88 1mfn s TYR 32 Ca 0.00 0.59 -0.29 0.00 -1.01 0.00 0.00 57.07 56.35 1mfn s TYR 32 Cb 0.00 -0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.73 1mfn s TYR 32 CO 0.00 -0.21 0.95 0.42 -1.11 0.00 0.00 175.55 175.60 1mfn s ILE 33 N 1.43 4.83 -0.33 2.71 1.09 0.81 -0.52 121.20 131.22 1mfn s ILE 33 Ca -0.07 1.99 -0.08 0.00 -1.10 0.00 0.00 60.65 61.40 1mfn s ILE 33 Cb -0.11 -4.29 0.02 0.00 -1.06 0.00 0.00 42.46 37.02 1mfn s ILE 33 CO -0.07 0.20 0.12 -0.63 -0.10 0.00 0.00 174.94 174.46 1mfn s ILE 34 N 0.80 4.09 -0.30 2.92 -1.09 0.28 0.60 121.20 128.52 1mfn s ILE 34 Ca 0.50 -0.85 -0.09 0.00 -2.23 0.00 0.00 60.65 57.98 1mfn s ILE 34 Cb -0.21 -3.21 -0.01 0.00 -1.58 0.00 0.00 42.46 37.44 1mfn s ILE 34 CO 0.27 -0.07 0.14 -0.60 -1.23 0.00 0.00 174.94 173.45 1mfn s ARG 35 N 1.49 3.43 -0.02 2.79 3.00 -0.07 0.19 118.95 129.76 1mfn s ARG 35 Ca 0.01 -0.65 -0.00 0.00 -1.00 0.00 0.00 55.73 54.09 1mfn s ARG 35 Cb -0.18 -3.52 -0.04 0.00 0.00 0.00 0.00 34.95 31.21 1mfn s ARG 35 CO 0.04 -0.36 0.04 -1.58 0.00 0.00 0.00 175.30 173.44 1mfn s HIS 36 N 1.62 3.20 -0.30 5.12 5.65 -0.89 0.19 115.29 129.88 1mfn s HIS 36 Ca 0.05 0.16 -0.12 0.00 0.25 0.00 0.00 55.06 55.40 1mfn s HIS 36 Cb -0.17 -1.72 0.17 0.00 -1.18 0.00 0.00 32.58 29.69 1mfn s HIS 36 CO 0.06 0.51 0.94 -3.38 -0.65 0.00 0.00 174.74 172.22 1mfn s HIS 37 N -1.11 -0.78 1.33 3.88 -3.43 -0.76 -2.90 115.29 111.51 1mfn s HIS 37 Ca 0.20 1.05 -0.19 0.00 -0.80 0.00 0.00 55.06 55.32 1mfn s HIS 37 Cb -0.12 0.36 0.34 0.00 -1.43 0.00 0.00 32.58 31.73 1mfn s HIS 37 CO 0.11 -0.41 0.96 0.00 -2.00 0.00 0.00 174.74 173.40 1mfn s ALA 38 N 2.72 -0.69 0.01 -1.38 0.00 -1.26 -1.47 121.76 119.69 1mfn s ALA 38 Ca 0.02 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 1mfn s ALA 38 Cb -0.09 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 1mfn s ALA 38 CO -0.16 -4.34 1.07 0.93 0.00 0.00 0.00 175.76 173.26 1mfn h GLU 39 N -3.14 -0.12 0.00 0.00 5.08 -1.96 -3.43 114.58 111.01 1mfn h GLU 39 Ca -0.51 0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 57.68 1mfn h GLU 39 Cb 1.34 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.49 1mfn h GLU 39 CO 0.37 -0.08 -0.18 1.58 -1.00 0.00 0.00 179.01 179.70 1mfn n HIS 40 N -2.67 -1.83 -0.37 4.33 -0.00 -1.26 -4.95 115.22 108.46 1mfn n HIS 40 Ca -0.02 -1.55 0.00 0.00 0.46 0.00 0.00 57.72 56.62 1mfn n HIS 40 Cb 0.06 1.48 0.00 0.00 -0.12 0.00 0.00 29.99 31.41 1mfn n HIS 40 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1mfn n SER 41 N -0.57 1.16 -4.33 0.26 3.41 -1.26 -5.05 113.62 107.25 1mfn n SER 41 Ca -0.11 -1.54 -0.26 0.00 -0.26 0.00 0.00 58.87 56.71 1mfn n SER 41 Cb 0.79 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.61 1mfn n SER 41 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mfn s VAL 42 N -0.54 1.93 0.00 -3.33 1.01 -1.26 -4.90 120.40 113.31 1mfn s VAL 42 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.37 1mfn s VAL 42 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1mfn s VAL 42 CO 0.00 0.02 0.07 0.61 0.00 0.00 0.00 175.10 175.79 1mfn n GLY 43 N 1.06 -1.90 3.44 4.51 0.00 -1.26 -4.80 105.19 106.24 1mfn n GLY 43 Ca -0.19 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1mfn n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mfn s ARG 44 N -0.14 1.91 0.33 1.61 1.81 -1.26 -5.11 118.95 118.10 1mfn s ARG 44 Ca 0.00 -1.07 -0.26 0.00 -1.72 0.00 0.00 55.73 52.68 1mfn s ARG 44 Cb 0.00 -2.11 -0.10 0.00 -0.45 0.00 0.00 34.95 32.29 1mfn s ARG 44 CO 0.00 0.52 0.98 -1.25 -0.68 0.00 0.00 175.30 174.87 1mfn s PRO 45 N -1.58 4.51 0.53 3.54 0.04 -1.26 -5.06 135.00 135.71 1mfn s PRO 45 Ca 0.15 1.42 0.07 0.00 0.04 0.00 0.00 61.00 62.67 1mfn s PRO 45 Cb -0.10 -2.80 0.04 0.00 0.04 0.00 0.00 34.50 31.68 1mfn s PRO 45 CO 0.06 0.19 0.47 -0.98 0.04 0.00 0.00 177.00 176.77 1mfn s ARG 46 N -2.06 2.31 -0.05 4.56 1.70 -1.14 -4.99 118.95 119.27 1mfn s ARG 46 Ca 0.51 -1.87 -0.02 0.00 -0.47 0.00 0.00 55.73 53.88 1mfn s ARG 46 Cb -0.21 -2.24 0.03 0.00 -0.57 0.00 0.00 34.95 31.96 1mfn s ARG 46 CO 0.26 -0.58 0.05 -0.65 -1.08 0.00 0.00 175.30 173.30 1mfn s GLN 47 N -4.32 0.05 -0.24 3.89 -0.21 -1.26 -2.09 119.66 115.47 1mfn s GLN 47 Ca 0.42 0.31 -0.04 0.00 0.02 0.00 0.00 55.36 56.07 1mfn s GLN 47 Cb -0.03 -0.65 -0.00 0.00 1.00 0.00 0.00 33.01 33.33 1mfn s GLN 47 CO 0.26 -0.34 -0.02 -0.51 -2.12 0.00 0.00 175.29 172.56 1mfn s ASP 48 N 2.13 4.49 0.01 5.90 1.11 0.51 -4.91 116.67 125.91 1mfn s ASP 48 Ca 0.05 -0.52 -0.15 0.00 0.18 0.00 0.00 52.55 52.11 1mfn s ASP 48 Cb -0.12 -1.76 -0.06 0.00 1.07 0.00 0.00 42.92 42.05 1mfn s ASP 48 CO -0.04 -0.07 0.42 -0.13 1.18 0.00 0.00 175.17 176.53 1mfn s ARG 49 N 1.46 3.93 0.32 8.23 1.81 -1.26 0.10 118.95 133.54 1mfn s ARG 49 Ca 0.04 0.43 0.10 0.00 -1.72 0.00 0.00 55.73 54.58 1mfn s ARG 49 Cb -0.15 -3.21 -0.05 0.00 -0.45 0.00 0.00 34.95 31.09 1mfn s ARG 49 CO -0.02 0.68 -0.07 0.14 -0.68 0.00 0.00 175.30 175.35 1mfn s VAL 50 N -1.10 2.60 0.97 3.52 -7.23 0.32 -4.84 120.40 114.63 1mfn s VAL 50 Ca 0.25 -2.12 -0.15 0.00 -1.81 0.00 0.00 61.98 58.14 1mfn s VAL 50 Cb -0.17 -2.65 0.18 0.00 0.56 0.00 0.00 36.38 34.30 1mfn s VAL 50 CO 0.14 -0.27 1.22 -2.16 -0.31 0.00 0.00 175.10 173.72 1mfn s PRO 51 N -3.64 0.63 0.28 4.82 0.04 -1.26 -1.55 135.00 134.32 1mfn s PRO 51 Ca 0.33 -0.10 0.26 0.00 0.04 0.00 0.00 61.00 61.52 1mfn s PRO 51 Cb -0.01 -1.82 0.83 0.00 0.04 0.00 0.00 34.50 33.54 1mfn s PRO 51 CO 0.18 -2.47 1.75 -1.00 0.04 0.00 0.00 177.00 175.50 1mfn h PRO 52 N -1.69 0.00 -0.69 0.56 0.13 -1.87 -3.05 132.00 125.39 1mfn h PRO 52 Ca -0.46 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.42 1mfn h PRO 52 Cb 1.28 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 1mfn h PRO 52 CO 0.47 0.00 0.27 0.43 -0.23 0.00 0.00 178.00 178.94 1mfn n SER 53 N -2.43 4.19 -4.02 1.44 7.64 -1.26 -4.89 113.62 114.30 1mfn n SER 53 Ca 0.04 -3.36 -0.27 0.00 1.01 0.00 0.00 58.87 56.29 1mfn n SER 53 Cb 0.38 -0.73 -0.17 0.00 -1.01 0.00 0.00 64.21 62.69 1mfn n SER 53 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1mfn s ARG 54 N -3.08 1.93 0.00 1.43 1.81 -1.15 -4.99 118.95 114.90 1mfn s ARG 54 Ca 0.53 -0.46 0.10 0.00 -1.72 0.00 0.00 55.73 54.17 1mfn s ARG 54 Cb 0.43 -1.67 0.18 0.00 -0.45 0.00 0.00 34.95 33.45 1mfn s ARG 54 CO 0.11 -0.06 1.04 0.27 -0.68 0.00 0.00 175.30 175.97 1mfn n ASN 55 N 4.18 2.36 -3.84 0.23 6.94 -1.26 -4.80 115.26 119.06 1mfn n ASN 55 Ca -0.19 -1.73 -0.12 0.00 -0.02 0.00 0.00 54.58 52.52 1mfn n ASN 55 Cb 0.51 -0.11 -0.09 0.00 -2.36 0.00 0.00 39.78 37.73 1mfn n ASN 55 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1mfn s SER 56 N -0.92 -0.03 -0.04 0.53 1.04 -1.26 -1.79 113.70 111.23 1mfn s SER 56 Ca 0.16 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 1mfn s SER 56 Cb 0.10 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.48 1mfn s SER 56 CO 0.13 -0.40 0.02 -0.51 0.98 0.00 0.00 173.24 173.47 1mfn s ILE 57 N -1.39 0.11 -0.52 -1.02 2.07 -0.87 -4.89 121.20 114.69 1mfn s ILE 57 Ca -0.14 0.21 -0.25 0.00 -1.41 0.00 0.00 60.65 59.05 1mfn s ILE 57 Cb -0.07 -0.27 0.03 0.00 0.13 0.00 0.00 42.46 42.29 1mfn s ILE 57 CO 0.02 0.17 0.97 -0.89 -1.91 0.00 0.00 174.94 173.31 1mfn s THR 58 N 1.54 4.37 0.33 4.00 2.01 -1.26 -1.12 115.64 125.51 1mfn s THR 58 Ca -0.03 0.57 -0.16 0.00 0.31 0.00 0.00 61.69 62.38 1mfn s THR 58 Cb -0.13 -4.52 -0.09 0.00 0.01 0.00 0.00 72.50 67.76 1mfn s THR 58 CO -0.03 -1.03 0.77 -0.76 -0.69 0.00 0.00 174.62 172.88 1mfn s LEU 59 N 4.02 4.06 0.20 4.42 1.43 -0.59 -4.90 118.68 127.32 1mfn s LEU 59 Ca 0.35 1.36 0.02 0.00 -1.03 0.00 0.00 54.13 54.83 1mfn s LEU 59 Cb -0.11 -4.12 -0.05 0.00 0.03 0.00 0.00 46.19 41.94 1mfn s LEU 59 CO 0.23 -0.21 0.03 0.42 0.23 0.00 0.00 176.35 177.05 1mfn s THR 60 N -1.98 0.65 -0.96 5.49 -4.23 -1.26 -1.83 115.64 111.51 1mfn s THR 60 Ca 0.55 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.02 1mfn s THR 60 Cb -0.10 -2.29 -0.06 0.00 1.34 0.00 0.00 72.50 71.39 1mfn s THR 60 CO 0.17 -0.32 0.85 0.59 -0.54 0.00 0.00 174.62 175.37 1mfn n ASN 61 N -0.32 -6.53 -4.01 3.99 5.03 -0.12 -4.90 115.26 108.40 1mfn n ASN 61 Ca -0.04 -0.61 -0.19 0.00 0.87 0.00 0.00 54.58 54.61 1mfn n ASN 61 Cb 0.64 -4.99 -0.15 0.00 -1.02 0.00 0.00 39.78 34.26 1mfn n ASN 61 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1mfn s LEU 62 N -5.12 1.91 0.11 3.41 1.43 -0.96 -4.99 118.68 114.48 1mfn s LEU 62 Ca 0.39 -0.17 -0.35 0.00 -1.03 0.00 0.00 54.13 52.97 1mfn s LEU 62 Cb -0.05 -0.49 -0.17 0.00 0.03 0.00 0.00 46.19 45.51 1mfn s LEU 62 CO 0.70 0.09 1.06 0.59 0.23 0.00 0.00 176.35 179.02 1mfn n ASN 63 N 3.05 0.58 -4.73 2.29 4.13 -1.26 -4.06 115.26 115.26 1mfn n ASN 63 Ca -0.15 1.14 -0.41 0.00 1.68 0.00 0.00 54.58 56.84 1mfn n ASN 63 Cb 0.56 -1.08 -0.04 0.00 -1.54 0.00 0.00 39.78 37.67 1mfn n ASN 63 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1mfn s PRO 64 N -0.23 4.65 -0.39 3.52 0.04 -1.24 -4.16 135.00 137.19 1mfn s PRO 64 Ca 0.79 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 63.40 1mfn s PRO 64 Cb -1.01 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 30.19 1mfn s PRO 64 CO 0.53 0.15 0.35 0.41 0.04 0.00 0.00 177.00 178.48 1mfn n GLY 65 N 2.16 -0.34 3.46 0.56 0.00 0.87 -3.33 105.19 108.58 1mfn n GLY 65 Ca 0.03 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1mfn n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mfn s THR 66 N -3.09 0.01 0.04 2.61 2.01 -1.01 -4.32 115.64 111.89 1mfn s THR 66 Ca 0.10 -0.08 -0.25 0.00 0.31 0.00 0.00 61.69 61.77 1mfn s THR 66 Cb -0.01 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 1mfn s THR 66 CO 0.32 -0.05 0.78 -0.70 -0.69 0.00 0.00 174.62 174.29 1mfn s GLU 67 N -1.61 4.50 -0.09 4.92 2.12 -1.26 0.17 118.70 127.45 1mfn s GLU 67 Ca -0.09 1.09 0.04 0.00 0.36 0.00 0.00 54.97 56.37 1mfn s GLU 67 Cb -0.01 -3.38 -0.00 0.00 0.26 0.00 0.00 34.13 31.00 1mfn s GLU 67 CO 0.06 0.24 -0.24 0.71 -0.54 0.00 0.00 175.26 175.49 1mfn s TYR 68 N 0.07 2.55 -0.76 5.30 2.02 -0.79 -3.79 117.35 121.95 1mfn s TYR 68 Ca 0.39 -0.98 -0.23 0.00 -0.37 0.00 0.00 57.07 55.89 1mfn s TYR 68 Cb -0.20 -1.69 0.07 0.00 -0.40 0.00 0.00 41.96 39.73 1mfn s TYR 68 CO 0.23 -0.38 1.11 0.08 -1.57 0.00 0.00 175.55 175.03 1mfn s VAL 69 N 0.25 4.20 -0.20 0.71 1.01 -0.54 -2.40 120.40 123.42 1mfn s VAL 69 Ca -0.16 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 1mfn s VAL 69 Cb -0.17 -4.79 -0.04 0.00 0.00 0.00 0.00 36.38 31.38 1mfn s VAL 69 CO 0.08 -1.61 0.41 -0.69 0.00 0.00 0.00 175.10 173.29 1mfn s VAL 70 N 4.35 5.19 -0.08 2.92 1.01 -0.61 -1.84 120.40 131.36 1mfn s VAL 70 Ca 0.29 0.73 -0.11 0.00 0.00 0.00 0.00 61.98 62.90 1mfn s VAL 70 Cb -0.11 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1mfn s VAL 70 CO 0.06 0.25 0.27 -0.94 0.00 0.00 0.00 175.10 174.74 1mfn s SER 71 N 1.02 6.57 -0.81 3.32 1.04 0.52 -0.53 113.70 124.83 1mfn s SER 71 Ca 0.20 0.68 0.02 0.00 0.48 0.00 0.00 55.95 57.32 1mfn s SER 71 Cb -0.15 -2.16 0.22 0.00 0.10 0.00 0.00 66.02 64.03 1mfn s SER 71 CO 0.08 0.33 0.75 -0.38 0.98 0.00 0.00 173.24 175.00 1mfn n ILE 72 N 2.13 2.67 -1.56 -1.02 2.08 0.44 -0.90 119.36 123.20 1mfn n ILE 72 Ca -0.16 -5.13 -0.30 0.00 0.56 0.00 0.00 62.75 57.71 1mfn n ILE 72 Cb 0.53 -2.25 0.08 0.00 -0.75 0.00 0.00 39.64 37.26 1mfn n ILE 72 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1mfn s ILE 73 N -1.74 3.28 0.26 1.39 1.01 0.20 -3.65 121.20 121.95 1mfn s ILE 73 Ca 0.30 0.42 0.11 0.00 0.00 0.00 0.00 60.65 61.47 1mfn s ILE 73 Cb -0.01 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 1mfn s ILE 73 CO -0.10 -0.54 -0.18 0.00 0.00 0.00 0.00 174.94 174.12 1mfn s ALA 74 N -3.13 2.55 -0.08 9.38 0.00 -1.26 -0.14 121.76 129.07 1mfn s ALA 74 Ca 0.60 -1.83 -0.05 0.00 0.00 0.00 0.00 51.96 50.69 1mfn s ALA 74 Cb -0.14 -0.20 0.04 0.00 0.00 0.00 0.00 23.12 22.82 1mfn s ALA 74 CO 0.54 0.21 0.20 0.14 0.00 0.00 0.00 175.76 176.85 1mfn s VAL 75 N -2.65 -0.04 -0.52 0.00 -7.23 -0.56 -3.18 120.40 106.24 1mfn s VAL 75 Ca 0.28 0.13 0.04 0.00 -1.81 0.00 0.00 61.98 60.62 1mfn s VAL 75 Cb -0.04 -0.31 0.40 0.00 0.56 0.00 0.00 36.38 37.00 1mfn s VAL 75 CO 0.13 0.05 1.26 -3.20 -0.31 0.00 0.00 175.10 173.03 1mfn n ASN 76 N 3.99 5.18 0.00 4.85 4.05 -1.26 0.16 115.26 132.23 1mfn n ASN 76 Ca -0.23 -3.74 0.00 0.00 0.45 0.00 0.00 54.58 51.06 1mfn n ASN 76 Cb 0.54 -0.57 0.00 0.00 1.23 0.00 0.00 39.78 40.98 1mfn n ASN 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1mfn n GLY 77 N -0.48 0.99 0.27 8.20 0.00 -1.26 -3.87 105.19 109.05 1mfn n GLY 77 Ca 0.41 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.96 1mfn n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mfn n ARG 78 N 0.00 0.14 -0.37 1.61 3.00 -1.26 -5.01 116.66 114.77 1mfn n ARG 78 Ca 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 57.85 56.89 1mfn n ARG 78 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 31.33 1mfn n ARG 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1mfn n GLU 79 N 0.35 1.82 -1.55 -0.14 1.02 -1.25 -5.14 120.64 115.74 1mfn n GLU 79 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1mfn n GLU 79 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.60 1mfn n GLU 79 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1mfn n GLU 80 N -0.45 0.00 -3.22 3.49 1.02 -1.26 -4.00 120.64 116.21 1mfn n GLU 80 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1mfn n GLU 80 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1mfn n GLU 80 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1mfn n SER 81 N -2.14 -1.45 -4.72 1.62 7.64 -1.19 -4.51 113.62 108.87 1mfn n SER 81 Ca 0.00 -2.30 -0.42 0.00 1.01 0.00 0.00 58.87 57.16 1mfn n SER 81 Cb 0.00 2.50 -0.03 0.00 -1.01 0.00 0.00 64.21 65.67 1mfn n SER 81 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mfn s PRO 82 N -2.29 4.54 -1.08 1.43 0.04 -1.26 -4.64 135.00 131.73 1mfn s PRO 82 Ca 0.16 1.55 -0.22 0.00 0.04 0.00 0.00 61.00 62.54 1mfn s PRO 82 Cb -0.02 -3.40 0.03 0.00 0.04 0.00 0.00 34.50 31.15 1mfn s PRO 82 CO 0.12 -0.07 1.63 -1.25 0.04 0.00 0.00 177.00 177.46 1mfn s PRO 83 N 0.79 3.46 0.08 0.56 0.04 -1.26 -4.40 135.00 134.27 1mfn s PRO 83 Ca 0.53 -1.22 -0.30 0.00 0.04 0.00 0.00 61.00 60.05 1mfn s PRO 83 Cb -0.25 -5.35 -0.06 0.00 0.04 0.00 0.00 34.50 28.88 1mfn s PRO 83 CO 0.29 -2.52 1.15 -1.17 0.04 0.00 0.00 177.00 174.79 1mfn s LEU 84 N 5.96 4.40 0.13 -3.56 2.96 -1.24 -4.79 118.68 122.54 1mfn s LEU 84 Ca 0.53 1.98 0.10 0.00 -0.22 0.00 0.00 54.13 56.52 1mfn s LEU 84 Cb -0.00 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1mfn s LEU 84 CO -0.03 -0.39 -0.21 -0.63 -1.32 0.00 0.00 176.35 173.78 1mfn s ILE 85 N 0.77 2.66 0.37 6.68 1.01 -1.26 0.17 121.20 131.59 1mfn s ILE 85 Ca 0.56 -1.63 0.04 0.00 0.00 0.00 0.00 60.65 59.61 1mfn s ILE 85 Cb -0.28 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 1mfn s ILE 85 CO 0.30 0.06 0.15 -0.83 0.00 0.00 0.00 174.94 174.63 1mfn s GLY 86 N -2.21 2.42 -0.17 6.18 0.00 0.31 -4.96 107.32 108.89 1mfn s GLY 86 Ca 0.17 -1.51 -0.04 0.00 0.00 0.00 0.00 44.72 43.34 1mfn s GLY 86 CO 0.09 -1.73 0.15 1.20 0.00 0.00 0.00 173.10 172.82 1mfn s GLN 87 N -3.71 0.11 0.00 2.90 -0.21 -1.26 -1.57 119.66 115.92 1mfn s GLN 87 Ca 0.29 0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.83 1mfn s GLN 87 Cb 0.03 -1.29 0.00 0.00 1.00 0.00 0.00 33.01 32.76 1mfn s GLN 87 CO 0.17 -0.60 0.00 0.00 -2.12 0.00 0.00 175.29 172.74 1mfn n GLN 88 N 5.30 3.70 -3.72 2.91 0.00 -1.01 -4.89 117.38 119.68 1mfn n GLN 88 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 57.00 56.82 1mfn n GLN 88 Cb 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.61 1mfn n GLN 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1mfn s ALA 89 N -2.04 -0.71 0.16 2.61 0.00 -1.26 -1.89 121.76 118.63 1mfn s ALA 89 Ca 0.00 1.16 -0.30 0.00 0.00 0.00 0.00 51.96 52.82 1mfn s ALA 89 Cb 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 23.12 22.32 1mfn s ALA 89 CO 0.00 -0.22 1.14 0.95 0.00 0.00 0.00 175.76 177.63 1mfn s THR 90 N 1.30 3.79 1.03 0.00 -4.23 0.44 -4.83 115.64 113.15 1mfn s THR 90 Ca -0.09 1.50 -0.23 0.00 -1.18 0.00 0.00 61.69 61.69 1mfn s THR 90 Cb -0.10 -3.96 -0.09 0.00 1.34 0.00 0.00 72.50 69.70 1mfn s THR 90 CO -0.10 0.23 -0.87 0.52 -0.54 0.00 0.00 174.62 173.87 1mfn n VAL 91 N 2.61 0.00 -3.32 2.29 0.31 -1.14 -2.13 118.33 116.96 1mfn n VAL 91 Ca 0.04 -0.17 -0.44 0.00 -0.01 0.00 0.00 64.34 63.76 1mfn n VAL 91 Cb 0.46 -0.22 -0.08 0.00 -0.91 0.00 0.00 33.84 33.09 1mfn n VAL 91 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1mfn s SER 92 N -1.31 6.18 0.15 4.52 1.04 -1.26 0.30 113.70 123.31 1mfn s SER 92 Ca 0.44 -0.97 0.10 0.00 0.48 0.00 0.00 55.95 56.00 1mfn s SER 92 Cb -0.02 -2.22 0.54 0.00 0.10 0.00 0.00 66.02 64.42 1mfn s SER 92 CO 0.69 -0.66 1.30 -0.90 0.98 0.00 0.00 173.24 174.64 1mfn n ASP 93 N 5.56 0.26 -4.77 7.02 5.68 -1.26 -4.37 116.55 124.67 1mfn n ASP 93 Ca -0.09 0.61 -0.41 0.00 -0.50 0.00 0.00 54.79 54.40 1mfn n ASP 93 Cb 0.46 -0.65 -0.01 0.00 -1.14 0.00 0.00 41.12 39.78 1mfn n ASP 93 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1mfn s ILE 94 N -3.24 2.10 0.15 2.12 1.01 -1.26 -4.63 121.20 117.44 1mfn s ILE 94 Ca -0.01 0.09 -0.27 0.00 0.00 0.00 0.00 60.65 60.46 1mfn s ILE 94 Cb 0.03 -3.06 -0.07 0.00 0.01 0.00 0.00 42.46 39.37 1mfn s ILE 94 CO 0.09 0.02 0.84 -2.16 0.00 0.00 0.00 174.94 173.73 1mfn s PRO 95 N -1.57 4.64 0.00 2.79 0.04 -1.26 -4.54 135.00 135.10 1mfn s PRO 95 Ca 0.56 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1mfn s PRO 95 Cb -0.46 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1mfn s PRO 95 CO 0.58 0.43 0.00 2.89 0.04 0.00 0.00 177.00 180.94 1mfn n ARG 96 N 2.05 0.56 -2.41 4.56 1.85 -1.19 -4.53 116.66 117.55 1mfn n ARG 96 Ca -0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.73 1mfn n ARG 96 Cb 0.49 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.90 1mfn n ARG 96 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1mfn n ASP 97 N -2.48 -3.28 -4.56 2.89 -0.08 -1.26 0.24 116.55 108.02 1mfn n ASP 97 Ca 0.00 -0.07 -0.32 0.00 -1.51 0.00 0.00 54.79 52.88 1mfn n ASP 97 Cb 0.00 -2.34 -0.04 0.00 2.34 0.00 0.00 41.12 41.08 1mfn n ASP 97 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1mfn s LEU 98 N -2.83 3.24 0.11 -2.67 2.96 -1.25 -3.71 118.68 114.54 1mfn s LEU 98 Ca 0.07 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1mfn s LEU 98 Cb -0.03 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 1mfn s LEU 98 CO 0.09 -2.42 -0.09 -1.61 -1.32 0.00 0.00 176.35 171.00 1mfn s GLU 99 N 6.63 0.91 -0.03 1.98 2.02 -1.06 -4.95 118.70 124.20 1mfn s GLU 99 Ca 0.64 -1.29 -0.09 0.00 0.02 0.00 0.00 54.97 54.25 1mfn s GLU 99 Cb -0.07 -0.48 -0.05 0.00 0.10 0.00 0.00 34.13 33.63 1mfn s GLU 99 CO 0.03 0.05 0.27 0.54 0.02 0.00 0.00 175.26 176.18 1mfn s VAL 100 N -3.00 5.28 0.00 2.63 0.11 -1.26 -1.99 120.40 122.17 1mfn s VAL 100 Ca 0.10 0.39 0.00 0.00 -2.93 0.00 0.00 61.98 59.54 1mfn s VAL 100 Cb 0.01 -3.56 0.00 0.00 -1.53 0.00 0.00 36.38 31.30 1mfn s VAL 100 CO -0.01 0.51 0.06 2.30 -3.33 0.00 0.00 175.10 174.63 1mfn n ILE 101 N 1.59 0.00 -3.51 7.04 -5.35 -0.82 -4.97 119.36 113.35 1mfn n ILE 101 Ca -0.15 -0.41 -0.15 0.00 -0.27 0.00 0.00 62.75 61.77 1mfn n ILE 101 Cb 0.53 1.03 -0.12 0.00 -1.74 0.00 0.00 39.64 39.34 1mfn n ILE 101 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mfn s ALA 102 N -0.70 -0.55 -0.49 -1.28 0.00 -1.25 -4.93 121.76 112.55 1mfn s ALA 102 Ca 0.00 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 1mfn s ALA 102 Cb 0.00 -1.32 0.13 0.00 0.00 0.00 0.00 23.12 21.93 1mfn s ALA 102 CO 0.00 -1.06 0.30 -1.12 0.00 0.00 0.00 175.76 173.87 1mfn s SER 103 N 2.41 5.26 0.67 0.00 0.01 -1.26 0.14 113.70 120.93 1mfn s SER 103 Ca 0.07 -2.34 -0.09 0.00 1.31 0.00 0.00 55.95 54.90 1mfn s SER 103 Cb -0.15 -1.84 0.03 0.00 0.21 0.00 0.00 66.02 64.27 1mfn s SER 103 CO -0.12 -0.48 1.02 0.42 0.41 0.00 0.00 173.24 174.49 1mfn s THR 104 N 0.70 3.23 -1.62 1.44 -4.23 0.54 -4.92 115.64 110.78 1mfn s THR 104 Ca 0.11 0.15 0.15 0.00 -1.18 0.00 0.00 61.69 60.92 1mfn s THR 104 Cb -0.22 -3.35 0.31 0.00 1.34 0.00 0.00 72.50 70.57 1mfn s THR 104 CO -0.04 -0.42 1.36 -0.81 -0.54 0.00 0.00 174.62 174.18 1mfn n PRO 105 N -2.87 0.29 -0.33 3.99 -0.04 -1.26 -2.74 135.00 132.04 1mfn n PRO 105 Ca 0.06 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1mfn n PRO 105 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1mfn n PRO 105 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1mfn n THR 106 N -1.19 0.00 -3.63 0.52 -2.24 -1.26 -4.46 114.28 102.02 1mfn n THR 106 Ca 0.08 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1mfn n THR 106 Cb 0.09 0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 1mfn n THR 106 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1mfn s SER 107 N -0.36 -0.20 0.05 3.42 1.04 -1.11 -2.84 113.70 113.69 1mfn s SER 107 Ca 0.00 -0.17 -0.08 0.00 0.48 0.00 0.00 55.95 56.18 1mfn s SER 107 Cb 0.00 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.46 1mfn s SER 107 CO 0.00 -0.59 0.16 -0.76 0.98 0.00 0.00 173.24 173.02 1mfn s LEU 108 N -2.70 1.54 -0.12 2.42 1.43 -0.40 0.20 118.68 121.05 1mfn s LEU 108 Ca 0.10 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1mfn s LEU 108 Cb 0.00 0.84 -0.04 0.00 0.03 0.00 0.00 46.19 47.02 1mfn s LEU 108 CO -0.03 -0.57 0.03 -0.22 0.23 0.00 0.00 176.35 175.79 1mfn s LEU 109 N -2.23 3.71 -0.01 1.79 2.96 0.38 -1.44 118.68 123.84 1mfn s LEU 109 Ca -0.03 0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.09 1mfn s LEU 109 Cb 0.00 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 1mfn s LEU 109 CO -0.05 0.31 -0.20 0.27 -1.32 0.00 0.00 176.35 175.36 1mfn s ILE 110 N -0.47 1.57 0.02 6.68 -4.36 0.18 -1.94 121.20 122.88 1mfn s ILE 110 Ca 0.09 -0.89 0.03 0.00 -0.26 0.00 0.00 60.65 59.61 1mfn s ILE 110 Cb -0.12 -1.31 -0.02 0.00 1.25 0.00 0.00 42.46 42.26 1mfn s ILE 110 CO 0.02 0.40 -0.08 -0.55 0.24 0.00 0.00 174.94 174.97 1mfn s SER 111 N -0.57 0.97 0.05 4.36 0.15 -0.84 0.83 113.70 118.66 1mfn s SER 111 Ca 0.08 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.37 1mfn s SER 111 Cb -0.08 -0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1mfn s SER 111 CO -0.00 -0.04 0.03 -2.67 1.20 0.00 0.00 173.24 171.75 1mfn n TRP 112 N 2.13 -0.03 -4.58 3.44 2.14 -1.06 -2.55 117.44 116.93 1mfn n TRP 112 Ca -0.18 -0.37 -0.28 0.00 2.07 0.00 0.00 57.50 58.75 1mfn n TRP 112 Cb 0.56 0.02 -0.11 0.00 -0.81 0.00 0.00 31.31 30.97 1mfn n TRP 112 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1mfn s GLU 113 N -2.20 1.97 -0.18 -2.67 0.41 0.65 -4.89 118.70 111.79 1mfn s GLU 113 Ca 0.04 -2.08 -0.29 0.00 -0.41 0.00 0.00 54.97 52.23 1mfn s GLU 113 Cb 0.00 -1.67 -0.01 0.00 -1.78 0.00 0.00 34.13 30.67 1mfn s GLU 113 CO 0.03 -0.04 1.23 -1.25 -0.49 0.00 0.00 175.26 174.74 1mfn s PRO 114 N -3.71 4.23 0.00 0.39 0.04 -1.26 -3.20 135.00 131.49 1mfn s PRO 114 Ca 0.35 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1mfn s PRO 114 Cb 0.09 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1mfn s PRO 114 CO 0.18 -0.70 0.00 -0.35 0.04 0.00 0.00 177.00 176.17 1mfn n PRO 115 N 6.57 1.33 0.00 0.56 -0.04 -1.26 -4.81 135.00 137.35 1mfn n PRO 115 Ca 0.14 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1mfn n PRO 115 Cb 0.45 0.00 0.35 0.00 -0.04 0.00 0.00 33.50 34.26 1mfn n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mfn n ALA 116 N -3.00 1.81 -3.00 0.55 0.00 -1.26 -4.82 120.51 110.79 1mfn n ALA 116 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1mfn n ALA 116 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1mfn n ALA 116 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1mfn n VAL 117 N -1.27 0.00 -0.89 0.00 0.24 -1.26 -4.59 118.33 110.56 1mfn n VAL 117 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1mfn n VAL 117 Cb 0.11 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 1mfn n VAL 117 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1mfn n SER 118 N -1.11 0.00 -3.68 -1.34 2.88 -1.26 -4.97 113.62 104.14 1mfn n SER 118 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1mfn n SER 118 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1mfn n SER 118 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1mfn s VAL 119 N 1.00 -0.01 -0.02 2.46 1.01 -1.26 -4.88 120.40 118.69 1mfn s VAL 119 Ca 0.00 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1mfn s VAL 119 Cb 0.00 -0.76 -0.28 0.00 0.00 0.00 0.00 36.38 35.34 1mfn s VAL 119 CO 0.00 0.02 0.99 -0.09 0.00 0.00 0.00 175.10 176.02 1mfn h ARG 120 N 6.83 0.36 -2.29 2.72 2.43 0.15 -3.44 114.38 121.14 1mfn h ARG 120 Ca -0.33 -0.49 0.06 0.00 -0.81 0.00 0.00 59.98 58.41 1mfn h ARG 120 Cb 1.20 0.16 -0.16 0.00 -0.42 0.00 0.00 29.97 30.75 1mfn h ARG 120 CO 0.23 1.19 0.42 1.52 -1.51 0.00 0.00 179.97 181.81 1mfn s TYR 121 N -2.79 -0.42 0.07 2.20 -0.85 -1.02 -3.51 117.35 111.03 1mfn s TYR 121 Ca -0.13 0.38 0.05 0.00 -0.52 0.00 0.00 57.07 56.86 1mfn s TYR 121 Cb 0.02 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 1mfn s TYR 121 CO 0.83 -0.58 -0.08 0.71 -1.52 0.00 0.00 175.55 174.91 1mfn s TYR 122 N -2.77 2.82 -0.62 -3.49 1.51 -0.92 -0.24 117.35 113.63 1mfn s TYR 122 Ca 0.02 -0.10 0.05 0.00 -1.01 0.00 0.00 57.07 56.02 1mfn s TYR 122 Cb -0.01 -1.51 0.15 0.00 -0.11 0.00 0.00 41.96 40.49 1mfn s TYR 122 CO -0.06 0.41 0.40 0.50 -1.11 0.00 0.00 175.55 175.68 1mfn s ARG 123 N -1.94 2.24 0.70 -0.62 3.52 -0.86 0.18 118.95 122.17 1mfn s ARG 123 Ca 0.20 -3.03 -0.08 0.00 -0.13 0.00 0.00 55.73 52.70 1mfn s ARG 123 Cb -0.11 -3.34 0.05 0.00 -1.56 0.00 0.00 34.95 29.99 1mfn s ARG 123 CO 0.12 -1.22 1.02 0.42 -0.81 0.00 0.00 175.30 174.84 1mfn s ILE 124 N -0.96 2.56 0.05 4.11 1.01 0.42 -1.58 121.20 126.81 1mfn s ILE 124 Ca 0.22 -0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.67 1mfn s ILE 124 Cb -0.13 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 1mfn s ILE 124 CO -0.10 -0.12 0.11 0.42 0.00 0.00 0.00 174.94 175.25 1mfn s THR 125 N -3.26 0.14 -0.00 2.92 -4.23 0.12 0.23 115.64 111.56 1mfn s THR 125 Ca 0.59 -1.14 -0.18 0.00 -1.18 0.00 0.00 61.69 59.79 1mfn s THR 125 Cb -0.11 -1.02 -0.06 0.00 1.34 0.00 0.00 72.50 72.66 1mfn s THR 125 CO 0.46 -0.63 0.49 -0.31 -0.54 0.00 0.00 174.62 174.09 1mfn s TYR 126 N -2.91 3.71 -0.37 3.99 1.51 -0.60 -2.57 117.35 120.10 1mfn s TYR 126 Ca -0.02 1.09 -0.12 0.00 -1.01 0.00 0.00 57.07 57.00 1mfn s TYR 126 Cb 0.01 -2.44 0.02 0.00 -0.11 0.00 0.00 41.96 39.43 1mfn s TYR 126 CO -0.06 0.50 0.23 0.20 -1.11 0.00 0.00 175.55 175.31 1mfn s GLY 127 N -0.65 1.95 -0.93 0.71 0.00 0.58 -2.37 107.32 106.60 1mfn s GLY 127 Ca 0.27 -1.63 -0.02 0.00 0.00 0.00 0.00 44.72 43.34 1mfn s GLY 127 CO 0.15 0.84 1.03 1.18 0.00 0.00 0.00 173.10 176.30 1mfn n GLU 128 N 5.05 3.29 -1.87 2.90 1.02 -1.14 0.06 120.64 129.96 1mfn n GLU 128 Ca -0.12 -4.54 -0.40 0.00 -0.02 0.00 0.00 57.16 52.08 1mfn n GLU 128 Cb 0.47 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 1mfn n GLU 128 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1mfn s THR 129 N -2.02 2.21 0.00 2.62 -4.23 -1.10 -4.34 115.64 108.78 1mfn s THR 129 Ca 0.32 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1mfn s THR 129 Cb 0.00 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1mfn s THR 129 CO -0.03 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1mfn n GLY 130 N 0.57 1.52 0.00 3.99 0.00 -1.26 -4.44 105.19 105.57 1mfn n GLY 130 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1mfn n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mfn n GLY 131 N 0.00 1.23 0.08 -0.02 0.00 -1.26 -5.09 105.19 100.13 1mfn n GLY 131 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1mfn n GLY 131 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mfn n ASN 132 N 0.00 0.00 -2.67 1.61 5.15 -1.26 -5.02 115.26 113.07 1mfn n ASN 132 Ca 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.94 1mfn n ASN 132 Cb 0.00 -0.32 0.11 0.00 -0.53 0.00 0.00 39.78 39.04 1mfn n ASN 132 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1mfn n SER 133 N -2.21 -1.31 -4.62 1.20 2.88 -1.26 -5.04 113.62 103.27 1mfn n SER 133 Ca 0.00 -2.00 -0.43 0.00 -1.33 0.00 0.00 58.87 55.11 1mfn n SER 133 Cb 0.00 1.21 -0.02 0.00 -0.75 0.00 0.00 64.21 64.65 1mfn n SER 133 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1mfn s PRO 134 N 0.06 3.81 0.08 -1.46 0.04 -1.26 -5.01 135.00 131.26 1mfn s PRO 134 Ca 0.20 0.95 0.09 0.00 0.04 0.00 0.00 61.00 62.28 1mfn s PRO 134 Cb 0.30 -3.89 -0.03 0.00 0.04 0.00 0.00 34.50 30.91 1mfn s PRO 134 CO -0.19 -1.26 -0.24 0.08 0.04 0.00 0.00 177.00 175.44 1mfn s VAL 135 N 4.51 1.95 -0.63 -0.36 1.01 -1.26 -2.87 120.40 122.75 1mfn s VAL 135 Ca 0.53 -1.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1mfn s VAL 135 Cb -0.12 -1.71 0.16 0.00 0.00 0.00 0.00 36.38 34.71 1mfn s VAL 135 CO 0.26 0.17 0.45 -1.58 0.00 0.00 0.00 175.10 174.40 1mfn s GLN 136 N -1.56 2.59 0.13 2.72 0.74 -1.00 -4.80 119.66 118.48 1mfn s GLN 136 Ca 0.10 -2.50 -0.30 0.00 0.05 0.00 0.00 55.36 52.70 1mfn s GLN 136 Cb -0.10 -3.76 -0.07 0.00 1.10 0.00 0.00 33.01 30.19 1mfn s GLN 136 CO 0.03 -1.18 1.15 -1.83 -0.55 0.00 0.00 175.29 172.92 1mfn s GLU 137 N -0.01 4.51 0.02 1.67 -1.05 -1.26 -1.56 118.70 121.02 1mfn s GLU 137 Ca 0.17 1.75 0.03 0.00 -0.15 0.00 0.00 54.97 56.76 1mfn s GLU 137 Cb -0.20 -3.31 -0.02 0.00 -0.44 0.00 0.00 34.13 30.17 1mfn s GLU 137 CO -0.04 -0.09 -0.08 -0.59 0.95 0.00 0.00 175.26 175.41 1mfn s PHE 138 N 0.35 0.71 0.66 4.83 -0.71 0.62 -4.92 117.98 119.52 1mfn s PHE 138 Ca 0.54 -0.31 -0.11 0.00 -1.04 0.00 0.00 56.93 56.01 1mfn s PHE 138 Cb -0.30 -0.44 0.16 0.00 -1.21 0.00 0.00 43.02 41.24 1mfn s PHE 138 CO 0.33 -0.03 0.69 0.25 -1.34 0.00 0.00 175.22 175.12 1mfn n THR 139 N 2.14 0.00 -3.63 -4.49 -2.24 -1.26 -0.44 114.28 104.36 1mfn n THR 139 Ca -0.18 -0.40 -0.15 0.00 -2.27 0.00 0.00 64.05 61.05 1mfn n THR 139 Cb 0.56 -1.37 -0.07 0.00 -2.10 0.00 0.00 70.33 67.34 1mfn n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1mfn s VAL 140 N -2.38 0.01 0.29 2.28 1.01 0.47 -4.63 120.40 117.45 1mfn s VAL 140 Ca 0.42 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1mfn s VAL 140 Cb -0.03 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.38 1mfn s VAL 140 CO 0.31 -0.03 1.04 -2.16 0.00 0.00 0.00 175.10 174.27 1mfn s PRO 141 N -0.30 4.64 -0.25 2.72 0.04 -1.26 -2.15 135.00 138.44 1mfn s PRO 141 Ca -0.05 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1mfn s PRO 141 Cb -0.03 -3.12 0.23 0.00 0.04 0.00 0.00 34.50 31.62 1mfn s PRO 141 CO 0.04 0.26 1.74 0.41 0.04 0.00 0.00 177.00 179.49 1mfn n GLY 142 N 1.14 3.57 0.02 0.56 0.00 -1.23 -3.89 105.19 105.36 1mfn n GLY 142 Ca -0.01 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.30 1mfn n GLY 142 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mfn n SER 143 N 0.17 1.32 -4.49 1.61 2.88 -1.26 -4.97 113.62 108.87 1mfn n SER 143 Ca 0.26 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.52 1mfn n SER 143 Cb 0.76 1.56 -0.11 0.00 -0.75 0.00 0.00 64.21 65.67 1mfn n SER 143 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1mfn s LYS 144 N -2.97 1.78 0.00 -1.46 3.01 -1.25 -5.00 119.74 113.85 1mfn s LYS 144 Ca -0.06 -1.22 0.21 0.00 -1.01 0.00 0.00 55.97 53.89 1mfn s LYS 144 Cb 0.09 -2.09 0.78 0.00 -1.01 0.00 0.00 37.83 35.60 1mfn s LYS 144 CO 0.66 0.47 1.56 0.43 0.51 0.00 0.00 175.35 178.98 1mfn n SER 145 N 0.68 1.63 -4.20 2.83 7.64 -1.26 -4.85 113.62 116.09 1mfn n SER 145 Ca -0.15 -1.69 -0.18 0.00 1.01 0.00 0.00 58.87 57.86 1mfn n SER 145 Cb 0.53 -0.10 -0.12 0.00 -1.01 0.00 0.00 64.21 63.52 1mfn n SER 145 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1mfn s THR 146 N -1.81 1.20 0.17 0.44 -4.23 -1.26 -2.55 115.64 107.60 1mfn s THR 146 Ca 0.33 -1.48 0.10 0.00 -1.18 0.00 0.00 61.69 59.46 1mfn s THR 146 Cb 0.18 -1.27 -0.04 0.00 1.34 0.00 0.00 72.50 72.71 1mfn s THR 146 CO 0.27 -0.31 -0.16 0.00 -0.54 0.00 0.00 174.62 173.88 1mfn s ALA 147 N -1.65 2.75 0.15 3.99 0.00 0.24 -4.92 121.76 122.32 1mfn s ALA 147 Ca 0.03 -1.51 0.04 0.00 0.00 0.00 0.00 51.96 50.52 1mfn s ALA 147 Cb -0.08 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1mfn s ALA 147 CO 0.02 0.48 0.15 -0.08 0.00 0.00 0.00 175.76 176.34 1mfn s THR 148 N -1.57 4.64 -0.14 0.00 -1.32 -1.26 -0.65 115.64 115.33 1mfn s THR 148 Ca 0.22 -0.97 -0.02 0.00 -1.21 0.00 0.00 61.69 59.71 1mfn s THR 148 Cb -0.09 -3.35 0.05 0.00 -1.51 0.00 0.00 72.50 67.59 1mfn s THR 148 CO 0.12 -0.07 0.02 -0.63 -2.21 0.00 0.00 174.62 171.85 1mfn s ILE 149 N -1.70 0.48 0.40 5.08 -1.09 -0.52 -4.96 121.20 118.89 1mfn s ILE 149 Ca 0.31 -0.29 0.06 0.00 -2.23 0.00 0.00 60.65 58.50 1mfn s ILE 149 Cb -0.11 -0.84 -0.07 0.00 -1.58 0.00 0.00 42.46 39.87 1mfn s ILE 149 CO 0.24 -0.01 0.02 0.20 -1.23 0.00 0.00 174.94 174.17 1mfn s ASN 150 N 1.90 3.50 -0.89 3.58 -0.87 -1.26 -1.28 114.94 119.62 1mfn s ASN 150 Ca 0.02 -1.41 0.00 0.00 -1.57 0.00 0.00 52.86 49.90 1mfn s ASN 150 Cb -0.15 -0.22 0.00 0.00 -0.02 0.00 0.00 41.25 40.86 1mfn s ASN 150 CO -0.07 -0.54 0.00 0.59 -2.57 0.00 0.00 177.10 174.51 1mfn n ASN 151 N -0.93 -3.49 -4.82 -1.22 4.13 -1.13 -4.96 115.26 102.83 1mfn n ASN 151 Ca -0.06 0.04 -0.34 0.00 1.68 0.00 0.00 54.58 55.90 1mfn n ASN 151 Cb 0.67 -2.60 -0.06 0.00 -1.54 0.00 0.00 39.78 36.25 1mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1mfn s ILE 152 N -2.47 4.56 -0.41 2.41 2.07 -1.14 -5.02 121.20 121.18 1mfn s ILE 152 Ca 0.00 1.23 -0.19 0.00 -1.41 0.00 0.00 60.65 60.28 1mfn s ILE 152 Cb 0.00 -3.75 0.02 0.00 0.13 0.00 0.00 42.46 38.85 1mfn s ILE 152 CO 0.00 -0.00 0.57 -0.75 -1.91 0.00 0.00 174.94 172.85 1mfn s LYS 153 N -2.49 3.33 0.29 3.50 2.36 -1.26 -4.74 119.74 120.73 1mfn s LYS 153 Ca 0.50 -0.39 -0.28 0.00 -2.55 0.00 0.00 55.97 53.25 1mfn s LYS 153 Cb -0.14 -3.92 -0.09 0.00 -1.05 0.00 0.00 37.83 32.63 1mfn s LYS 153 CO 0.19 -0.88 1.01 -1.25 1.55 0.00 0.00 175.35 175.97 1mfn s PRO 154 N 2.58 4.64 0.00 4.03 0.04 -1.26 -4.45 135.00 140.58 1mfn s PRO 154 Ca 0.20 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1mfn s PRO 154 Cb -0.15 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1mfn s PRO 154 CO 0.16 0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.89 1mfn n GLY 155 N 1.08 0.63 0.00 0.56 0.00 -1.22 -5.04 105.19 101.19 1mfn n GLY 155 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1mfn n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfn n ALA 156 N -0.61 0.00 -1.37 4.61 0.00 -1.07 -4.98 120.51 117.08 1mfn n ALA 156 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1mfn n ALA 156 Cb 0.24 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.74 1mfn n ALA 156 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mfn n ASP 157 N 0.00 -1.32 -3.73 0.00 2.03 -1.26 -2.26 116.55 110.01 1mfn n ASP 157 Ca 0.00 0.67 -0.22 0.00 0.52 0.00 0.00 54.79 55.75 1mfn n ASP 157 Cb 0.00 -1.17 -0.08 0.00 -0.72 0.00 0.00 41.12 39.15 1mfn n ASP 157 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1mfn s TYR 158 N -1.81 1.75 -0.25 -0.67 1.51 0.51 -2.71 117.35 115.69 1mfn s TYR 158 Ca 0.66 -1.49 -0.02 0.00 -1.01 0.00 0.00 57.07 55.22 1mfn s TYR 158 Cb -0.41 -0.92 0.13 0.00 -0.11 0.00 0.00 41.96 40.66 1mfn s TYR 158 CO 0.57 -0.60 0.35 0.99 -1.11 0.00 0.00 175.55 175.75 1mfn s THR 159 N -3.35 -0.55 -0.14 -0.71 2.01 0.11 -2.11 115.64 110.90 1mfn s THR 159 Ca 0.32 -0.15 -0.16 0.00 0.31 0.00 0.00 61.69 62.02 1mfn s THR 159 Cb 0.02 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1mfn s THR 159 CO 0.21 -0.19 0.37 -0.63 -0.69 0.00 0.00 174.62 173.69 1mfn s ILE 160 N 2.49 5.26 -0.16 1.82 1.01 0.14 0.21 121.20 131.97 1mfn s ILE 160 Ca 0.11 0.71 -0.01 0.00 0.00 0.00 0.00 60.65 61.46 1mfn s ILE 160 Cb -0.15 -3.71 0.05 0.00 0.01 0.00 0.00 42.46 38.66 1mfn s ILE 160 CO -0.19 0.36 -0.01 -0.89 0.00 0.00 0.00 174.94 174.22 1mfn s THR 161 N 0.53 0.78 -0.22 2.92 2.01 -1.06 0.16 115.64 120.76 1mfn s THR 161 Ca 0.20 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 1mfn s THR 161 Cb -0.14 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 1mfn s THR 161 CO 0.06 0.00 0.18 -1.48 -0.69 0.00 0.00 174.62 172.70 1mfn s LEU 162 N 1.77 4.16 0.45 4.42 0.05 -0.34 0.14 118.68 129.33 1mfn s LEU 162 Ca 0.00 0.22 0.08 0.00 0.05 0.00 0.00 54.13 54.49 1mfn s LEU 162 Cb -0.16 -2.16 0.03 0.00 -2.05 0.00 0.00 46.19 41.85 1mfn s LEU 162 CO -0.07 0.09 0.61 -0.31 -0.55 0.00 0.00 176.35 176.12 1mfn s TYR 163 N 0.79 2.49 -0.13 3.48 1.51 -0.61 -2.27 117.35 122.61 1mfn s TYR 163 Ca 0.09 -0.48 -0.09 0.00 -1.01 0.00 0.00 57.07 55.58 1mfn s TYR 163 Cb -0.13 -2.33 0.04 0.00 -0.11 0.00 0.00 41.96 39.43 1mfn s TYR 163 CO 0.03 -0.57 0.32 0.00 -1.11 0.00 0.00 175.55 174.22 1mfn s ALA 164 N -2.43 -0.79 0.18 3.71 0.00 -1.26 -2.03 121.76 119.15 1mfn s ALA 164 Ca 0.56 1.07 0.04 0.00 0.00 0.00 0.00 51.96 53.64 1mfn s ALA 164 Cb -0.09 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 1mfn s ALA 164 CO 0.34 -0.19 -0.07 0.08 0.00 0.00 0.00 175.76 175.92 1mfn s VAL 165 N 0.72 1.16 0.00 0.00 1.01 0.66 -0.38 120.40 123.58 1mfn s VAL 165 Ca -0.04 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 59.87 1mfn s VAL 165 Cb -0.06 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1mfn s VAL 165 CO -0.05 -0.57 0.00 0.35 0.00 0.00 0.00 175.10 174.83 1mfn n THR 166 N -0.30 0.00 -0.01 3.92 -2.24 -1.26 0.17 114.28 114.57 1mfn n THR 166 Ca -0.08 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1mfn n THR 166 Cb 0.62 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1mfn n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 167 N 1.56 -2.46 0.00 3.38 0.00 -1.26 -4.48 105.19 101.92 1mfn n GLY 167 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1mfn n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfn n ARG 168 N -1.35 2.96 0.16 1.61 3.00 -1.24 -4.81 116.66 116.99 1mfn n ARG 168 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.85 57.87 1mfn n ARG 168 Cb 0.01 0.00 0.20 0.00 0.00 0.00 0.00 32.46 32.67 1mfn n ARG 168 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1mfn h GLY 169 N 0.00 0.00 1.08 -0.13 0.00 -1.98 0.23 103.07 102.27 1mfn h GLY 169 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mfn h GLY 169 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 1mfn n ASP 170 N -3.51 0.00 0.00 0.19 5.75 -1.26 -4.21 116.55 113.52 1mfn n ASP 170 Ca 0.00 -0.64 0.00 0.00 -0.01 0.00 0.00 54.79 54.14 1mfn n ASP 170 Cb 0.62 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1mfn n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1mfn n SER 171 N -1.04 0.00 -4.50 -1.12 7.64 -1.04 -4.88 113.62 108.67 1mfn n SER 171 Ca 0.17 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.65 1mfn n SER 171 Cb 0.10 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.28 1mfn n SER 171 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1mfn n PRO 172 N 0.00 2.79 -0.47 1.43 -0.04 0.77 -3.67 135.00 135.80 1mfn n PRO 172 Ca 0.00 -3.03 0.00 0.00 -0.04 0.00 0.00 63.50 60.43 1mfn n PRO 172 Cb 0.00 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 29.93 1mfn n PRO 172 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mfn n ALA 173 N 9.55 0.00 -3.17 0.55 0.00 -1.26 -5.02 120.51 121.15 1mfn n ALA 173 Ca 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.80 1mfn n ALA 173 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 1mfn n ALA 173 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1mfn s SER 174 N -1.00 0.56 0.27 0.00 1.04 -1.26 -4.48 113.70 108.83 1mfn s SER 174 Ca 0.00 -1.33 0.10 0.00 0.48 0.00 0.00 55.95 55.21 1mfn s SER 174 Cb 0.00 0.71 -0.05 0.00 0.10 0.00 0.00 66.02 66.78 1mfn s SER 174 CO 0.00 -1.39 -0.08 -0.94 0.98 0.00 0.00 173.24 171.81 1mfn s SER 175 N -3.17 4.18 -0.44 7.02 1.04 0.49 -4.07 113.70 118.76 1mfn s SER 175 Ca 0.25 -0.79 -0.45 0.00 0.48 0.00 0.00 55.95 55.45 1mfn s SER 175 Cb -0.02 -0.64 -0.19 0.00 0.10 0.00 0.00 66.02 65.28 1mfn s SER 175 CO 0.17 0.02 1.71 2.29 0.98 0.00 0.00 173.24 178.40 1mfn n LYS 176 N -0.77 0.33 -2.22 4.02 2.85 -1.26 -4.30 118.16 116.81 1mfn n LYS 176 Ca -0.06 0.12 -0.42 0.00 -1.05 0.00 0.00 58.31 56.89 1mfn n LYS 176 Cb 0.59 -1.68 -0.03 0.00 -0.65 0.00 0.00 35.03 33.26 1mfn n LYS 176 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1mfn s PRO 177 N 3.55 4.24 -0.27 -1.58 0.04 -1.26 -4.72 135.00 135.00 1mfn s PRO 177 Ca 1.05 1.94 -0.25 0.00 0.04 0.00 0.00 61.00 63.78 1mfn s PRO 177 Cb -1.37 -3.75 -0.00 0.00 0.04 0.00 0.00 34.50 29.41 1mfn s PRO 177 CO 0.75 -0.69 0.85 0.08 0.04 0.00 0.00 177.00 178.03 1mfn s VAL 178 N 3.21 4.78 -0.18 -0.36 1.01 -0.96 -4.85 120.40 123.06 1mfn s VAL 178 Ca 0.64 1.49 -0.04 0.00 0.00 0.00 0.00 61.98 64.07 1mfn s VAL 178 Cb -0.29 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1mfn s VAL 178 CO 0.24 -0.17 -0.04 -0.94 0.00 0.00 0.00 175.10 174.19 1mfn s SER 179 N 1.45 4.64 0.14 3.32 1.04 -1.26 -1.20 113.70 121.83 1mfn s SER 179 Ca 0.35 -0.22 0.10 0.00 0.48 0.00 0.00 55.95 56.66 1mfn s SER 179 Cb -0.15 -1.77 -0.04 0.00 0.10 0.00 0.00 66.02 64.16 1mfn s SER 179 CO 0.10 0.10 -0.20 0.27 0.98 0.00 0.00 173.24 174.49 1mfn s ILE 180 N 0.76 2.66 0.69 -1.02 -4.36 0.43 -4.92 121.20 115.45 1mfn s ILE 180 Ca -0.01 -1.67 -0.11 0.00 -0.26 0.00 0.00 60.65 58.60 1mfn s ILE 180 Cb -0.14 -2.23 0.00 0.00 1.25 0.00 0.00 42.46 41.34 1mfn s ILE 180 CO 0.02 0.04 1.08 0.20 0.24 0.00 0.00 174.94 176.52 1mfn s ASN 181 N -2.28 5.57 -0.29 4.36 0.01 -1.26 0.26 114.94 121.30 1mfn s ASN 181 Ca 0.18 1.23 -0.05 0.00 -0.71 0.00 0.00 52.86 53.50 1mfn s ASN 181 Cb -0.10 -2.08 0.16 0.00 0.41 0.00 0.00 41.25 39.64 1mfn s ASN 181 CO 0.10 -1.27 0.60 -0.47 -1.51 0.00 0.00 177.10 174.54 1mfn s TYR 182 N -3.29 -1.42 -0.31 2.20 5.04 -0.90 -4.70 117.35 113.97 1mfn s TYR 182 Ca 0.58 1.95 -0.23 0.00 -2.44 0.00 0.00 57.07 56.92 1mfn s TYR 182 Cb -0.11 0.64 0.00 0.00 0.35 0.00 0.00 41.96 42.84 1mfn s TYR 182 CO 0.53 -0.76 0.77 0.15 -1.34 0.00 0.00 175.55 174.90 1mfn s LYS 183 N 2.85 3.93 0.00 4.97 1.02 -1.26 0.19 119.74 131.44 1mfn s LYS 183 Ca 0.07 0.52 0.27 0.00 0.02 0.00 0.00 55.97 56.86 1mfn s LYS 183 Cb -0.14 -3.74 0.86 0.00 -0.52 0.00 0.00 37.83 34.30 1mfn s LYS 183 CO -0.19 -0.69 1.64 0.25 -0.92 0.00 0.00 175.35 175.44