#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 2.29 -0.47 0.99 1.43 -1.26 -5.08 118.68 116.58 2mfn s LEU 2 Ca 0.00 -0.41 -0.27 0.00 -1.03 0.00 0.00 54.13 52.42 2mfn s LEU 2 Cb 0.00 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.81 2mfn s LEU 2 CO 0.00 0.27 1.00 -1.81 0.23 0.00 0.00 176.35 176.04 2mfn s ASP 3 N -0.33 6.54 0.54 2.29 1.01 -1.26 -4.54 116.67 120.93 2mfn s ASP 3 Ca 0.02 0.23 -0.19 0.00 0.71 0.00 0.00 52.55 53.31 2mfn s ASP 3 Cb -0.13 -2.48 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 2mfn s ASP 3 CO 0.02 -1.12 1.12 -0.94 0.21 0.00 0.00 175.17 174.46 2mfn s SER 4 N 2.34 5.75 0.62 0.27 1.04 -1.26 -4.57 113.70 117.89 2mfn s SER 4 Ca 0.41 2.16 -0.18 0.00 0.48 0.00 0.00 55.95 58.82 2mfn s SER 4 Cb -0.09 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 2mfn s SER 4 CO 0.28 -1.20 1.15 -2.65 0.98 0.00 0.00 173.24 171.80 2mfn n PRO 5 N -1.29 1.04 0.00 4.02 -0.01 -1.26 -4.81 135.00 132.68 2mfn n PRO 5 Ca 0.11 0.40 0.00 0.00 -0.01 0.00 0.00 63.50 64.01 2mfn n PRO 5 Cb 0.51 -2.37 0.00 0.00 -0.01 0.00 0.00 33.50 31.63 2mfn n PRO 5 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 2mfn n THR 6 N -1.80 0.00 -1.44 3.45 -2.24 -1.24 -4.82 114.28 106.18 2mfn n THR 6 Ca 0.15 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.82 2mfn n THR 6 Cb 0.48 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.00 1.00 3.61 3.38 0.00 -1.26 0.33 105.19 112.25 2mfn n GLY 7 Ca 0.00 -0.53 -0.50 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.90 1.75 -3.62 1.61 -0.00 -1.26 -4.45 117.46 108.59 2mfn n PHE 8 Ca -0.11 0.52 -0.16 0.00 -0.00 0.00 0.00 57.45 57.71 2mfn n PHE 8 Cb 0.38 -2.40 -0.07 0.00 -0.00 0.00 0.00 39.48 37.40 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 0.61 -0.47 -0.00 -2.13 -1.08 0.61 -4.99 116.67 109.21 2mfn s ASP 9 Ca 0.82 0.48 0.07 0.00 -0.52 0.00 0.00 52.55 53.40 2mfn s ASP 9 Cb -0.87 0.47 -0.02 0.00 -1.46 0.00 0.00 42.92 41.04 2mfn s ASP 9 CO 0.44 -0.53 -0.24 -0.44 0.52 0.00 0.00 175.17 174.93 2mfn s SER 10 N -1.19 2.78 0.15 -0.34 0.01 -1.26 0.45 113.70 114.30 2mfn s SER 10 Ca -0.12 -0.45 -0.05 0.00 1.31 0.00 0.00 55.95 56.64 2mfn s SER 10 Cb -0.02 -0.30 0.02 0.00 0.21 0.00 0.00 66.02 65.93 2mfn s SER 10 CO 0.07 0.27 0.28 -1.54 0.41 0.00 0.00 173.24 172.74 2mfn n SER 11 N 2.35 -0.82 -4.02 2.44 3.41 -0.98 -4.91 113.62 111.09 2mfn n SER 11 Ca -0.16 -1.66 -0.31 0.00 -0.26 0.00 0.00 58.87 56.48 2mfn n SER 11 Cb 0.52 1.40 -0.00 0.00 -0.26 0.00 0.00 64.21 65.87 2mfn n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2mfn n ASP 12 N -1.39 -3.22 -4.68 4.04 8.00 -1.26 -1.70 116.55 116.34 2mfn n ASP 12 Ca -0.03 -0.91 -0.42 0.00 0.71 0.00 0.00 54.79 54.14 2mfn n ASP 12 Cb 0.24 -3.34 -0.03 0.00 -0.02 0.00 0.00 41.12 37.97 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 -3.43 4.55 0.31 0.53 -1.09 -1.26 -1.69 121.20 119.10 2mfn s ILE 13 Ca 0.53 1.84 0.10 0.00 -2.23 0.00 0.00 60.65 60.89 2mfn s ILE 13 Cb -0.28 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.37 2mfn s ILE 13 CO 0.88 -0.01 -0.03 0.42 -1.23 0.00 0.00 174.94 174.96 2mfn s THR 14 N 2.22 2.84 0.06 2.92 -4.23 1.68 -4.76 115.64 116.37 2mfn s THR 14 Ca 0.51 -2.04 -0.36 0.00 -1.18 0.00 0.00 61.69 58.62 2mfn s THR 14 Cb -0.21 -2.71 -0.20 0.00 1.34 0.00 0.00 72.50 70.72 2mfn s THR 14 CO 0.19 -0.29 1.56 0.00 -0.54 0.00 0.00 174.62 175.53 2mfn h ALA 15 N 1.92 -1.26 0.00 3.99 0.00 -1.82 -3.05 119.26 119.04 2mfn h ALA 15 Ca -0.43 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2mfn h ALA 15 Cb 1.25 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2mfn h ALA 15 CO 0.63 -1.20 -0.39 0.09 0.00 0.00 0.00 179.25 178.39 2mfn n ASN 16 N -5.63 0.42 -4.04 0.00 4.13 -1.26 -3.68 115.26 105.20 2mfn n ASN 16 Ca -0.16 -0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.02 2mfn n ASN 16 Cb 0.50 0.03 -0.10 0.00 -1.54 0.00 0.00 39.78 38.67 2mfn n ASN 16 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2mfn s SER 17 N -3.20 0.38 -0.23 6.41 0.01 -1.15 -1.14 113.70 114.77 2mfn s SER 17 Ca 0.11 -0.76 -0.26 0.00 1.31 0.00 0.00 55.95 56.35 2mfn s SER 17 Cb 0.17 0.15 0.08 0.00 0.21 0.00 0.00 66.02 66.63 2mfn s SER 17 CO 0.66 -0.46 0.77 0.72 0.41 0.00 0.00 173.24 175.34 2mfn s PHE 18 N -2.75 -0.71 0.30 2.43 -0.12 -0.96 0.47 117.98 116.64 2mfn s PHE 18 Ca -0.04 1.64 -0.06 0.00 -0.05 0.00 0.00 56.93 58.42 2mfn s PHE 18 Cb -0.01 0.31 -0.06 0.00 -0.63 0.00 0.00 43.02 42.64 2mfn s PHE 18 CO -0.06 -0.40 0.59 0.99 -0.05 0.00 0.00 175.22 176.29 2mfn s THR 19 N 0.04 4.98 -0.02 -4.49 2.01 -0.68 -2.24 115.64 115.23 2mfn s THR 19 Ca -0.01 0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.24 2mfn s THR 19 Cb -0.04 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 2mfn s THR 19 CO 0.01 -0.32 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.74 2mfn s VAL 20 N -2.09 1.60 0.00 3.82 1.01 -0.78 -2.31 120.40 121.65 2mfn s VAL 20 Ca 0.45 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2mfn s VAL 20 Cb -0.11 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 2mfn s VAL 20 CO 0.29 0.45 -0.14 -1.00 0.00 0.00 0.00 175.10 174.71 2mfn s HIS 21 N -0.41 1.22 0.10 5.22 3.76 0.17 -2.37 115.29 122.98 2mfn s HIS 21 Ca 0.06 -0.26 -0.10 0.00 -0.15 0.00 0.00 55.06 54.61 2mfn s HIS 21 Cb -0.08 -0.77 0.01 0.00 1.11 0.00 0.00 32.58 32.84 2mfn s HIS 21 CO -0.00 -0.01 0.24 1.67 -0.85 0.00 0.00 174.74 175.79 2mfn s TRP 22 N -0.43 0.07 0.38 1.40 -2.14 -0.98 -0.29 118.94 116.95 2mfn s TRP 22 Ca 0.04 -0.48 -0.07 0.00 2.66 0.00 0.00 56.10 58.26 2mfn s TRP 22 Cb -0.06 0.01 -0.05 0.00 -3.10 0.00 0.00 33.47 30.27 2mfn s TRP 22 CO -0.00 -0.58 0.68 0.08 -2.66 0.00 0.00 176.95 174.47 2mfn s VAL 23 N -3.85 4.91 -0.24 -0.66 1.01 0.15 -4.80 120.40 116.93 2mfn s VAL 23 Ca 0.05 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 2mfn s VAL 23 Cb 0.04 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 2mfn s VAL 23 CO -0.11 -0.52 0.20 0.00 0.00 0.00 0.00 175.10 174.66 2mfn s ALA 24 N -2.34 3.59 1.01 5.51 0.00 -1.26 -3.61 121.76 124.66 2mfn s ALA 24 Ca 0.47 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 51.46 2mfn s ALA 24 Cb -0.10 -2.39 0.20 0.00 0.00 0.00 0.00 23.12 20.82 2mfn s ALA 24 CO 0.34 -0.26 1.10 -1.25 0.00 0.00 0.00 175.76 175.69 2mfn s PRO 25 N 1.19 0.32 0.00 0.00 0.04 -1.26 -4.92 135.00 130.36 2mfn s PRO 25 Ca 0.09 1.25 0.27 0.00 0.04 0.00 0.00 61.00 62.65 2mfn s PRO 25 Cb -0.14 -1.67 0.80 0.00 0.04 0.00 0.00 34.50 33.53 2mfn s PRO 25 CO 0.06 -3.01 1.60 0.54 0.04 0.00 0.00 177.00 176.22 2mfn n ARG 26 N -4.47 1.55 -2.64 4.56 1.74 -1.26 -4.91 116.66 111.23 2mfn n ARG 26 Ca 0.08 -1.00 -0.33 0.00 -0.77 0.00 0.00 57.85 55.84 2mfn n ARG 26 Cb 0.53 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 30.44 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 -2.14 3.04 0.00 7.54 0.00 -1.26 -4.96 121.76 123.98 2mfn s ALA 27 Ca 0.32 0.32 -0.32 0.00 0.00 0.00 0.00 51.96 52.29 2mfn s ALA 27 Cb 0.20 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 20.08 2mfn s ALA 27 CO 0.39 -0.03 1.93 -0.35 0.00 0.00 0.00 175.76 177.69 2mfn n PRO 28 N -1.02 2.62 -4.22 0.00 -0.04 -1.26 -4.98 135.00 126.09 2mfn n PRO 28 Ca 0.07 0.96 -0.13 0.00 -0.04 0.00 0.00 63.50 64.36 2mfn n PRO 28 Cb 0.54 -2.87 -0.10 0.00 -0.04 0.00 0.00 33.50 31.03 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 4.15 0.58 -0.85 0.52 -4.36 -1.26 -4.66 121.20 115.32 2mfn s ILE 29 Ca 0.90 -1.97 0.12 0.00 -0.26 0.00 0.00 60.65 59.44 2mfn s ILE 29 Cb -0.53 -2.09 -0.07 0.00 1.25 0.00 0.00 42.46 41.02 2mfn s ILE 29 CO 0.45 -0.49 0.61 0.35 0.24 0.00 0.00 174.94 176.10 2mfn n THR 30 N -0.21 0.00 0.00 8.37 -2.24 -0.17 -4.93 114.28 115.09 2mfn n THR 30 Ca -0.07 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2mfn n THR 30 Cb 0.63 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 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 1.14 1.50 3.31 3.38 0.00 -1.23 -4.31 105.19 108.97 2mfn n GLY 31 Ca 0.04 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.65 2.33 -0.26 1.61 2.02 -1.05 -2.73 117.35 117.62 2mfn s TYR 32 Ca 0.00 -0.44 -0.19 0.00 -0.37 0.00 0.00 57.07 56.07 2mfn s TYR 32 Cb 0.00 -1.50 -0.02 0.00 -0.40 0.00 0.00 41.96 40.04 2mfn s TYR 32 CO 0.00 -0.04 0.56 0.42 -1.57 0.00 0.00 175.55 174.92 2mfn s ILE 33 N -0.61 5.03 -0.46 2.71 -1.09 0.15 -2.37 121.20 124.57 2mfn s ILE 33 Ca 0.10 0.99 -0.17 0.00 -2.23 0.00 0.00 60.65 59.34 2mfn s ILE 33 Cb -0.10 -3.87 0.05 0.00 -1.58 0.00 0.00 42.46 36.95 2mfn s ILE 33 CO -0.01 0.06 0.48 -0.63 -1.23 0.00 0.00 174.94 173.61 2mfn s ILE 34 N 2.38 5.08 -0.25 2.92 -1.09 0.80 -1.81 121.20 129.22 2mfn s ILE 34 Ca 0.23 -0.64 -0.08 0.00 -2.23 0.00 0.00 60.65 57.94 2mfn s ILE 34 Cb -0.16 -4.14 -0.03 0.00 -1.58 0.00 0.00 42.46 36.55 2mfn s ILE 34 CO 0.09 -0.59 0.08 -0.13 -1.23 0.00 0.00 174.94 173.16 2mfn s ARG 35 N 2.11 3.69 -0.05 2.79 0.52 -0.77 0.18 118.95 127.42 2mfn s ARG 35 Ca 0.10 -0.46 0.07 0.00 -0.52 0.00 0.00 55.73 54.92 2mfn s ARG 35 Cb -0.20 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 31.89 2mfn s ARG 35 CO 0.11 -0.19 -0.25 -1.58 0.02 0.00 0.00 175.30 173.41 2mfn s HIS 36 N 1.63 2.40 0.16 -0.53 5.65 -0.71 -1.08 115.29 122.82 2mfn s HIS 36 Ca 0.06 -0.65 -0.23 0.00 0.25 0.00 0.00 55.06 54.50 2mfn s HIS 36 Cb -0.15 -1.57 0.07 0.00 -1.18 0.00 0.00 32.58 29.75 2mfn s HIS 36 CO 0.04 -0.17 0.60 -3.38 -0.65 0.00 0.00 174.74 171.19 2mfn s HIS 37 N -0.28 -0.53 0.14 3.88 -3.43 -0.59 -2.03 115.29 112.44 2mfn s HIS 37 Ca 0.00 0.32 -0.01 0.00 -0.80 0.00 0.00 55.06 54.57 2mfn s HIS 37 Cb -0.13 0.56 0.03 0.00 -1.43 0.00 0.00 32.58 31.62 2mfn s HIS 37 CO 0.02 -0.86 0.19 0.00 -2.00 0.00 0.00 174.74 172.10 2mfn n ALA 38 N -0.38 -0.06 -1.00 -1.38 0.00 -1.26 0.70 120.51 117.13 2mfn n ALA 38 Ca -0.17 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2mfn n ALA 38 Cb 0.65 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.13 2mfn n ALA 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2mfn n GLU 39 N -1.38 0.00 -1.24 0.00 1.02 -1.25 -4.61 120.64 113.19 2mfn n GLU 39 Ca 0.03 0.06 0.03 0.00 -0.02 0.00 0.00 57.16 57.26 2mfn n GLU 39 Cb 0.10 -0.64 0.01 0.00 -0.02 0.00 0.00 31.44 30.89 2mfn n GLU 39 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2mfn n HIS 40 N -0.21 0.00 0.56 -0.32 8.25 -1.26 -4.83 115.22 117.40 2mfn n HIS 40 Ca 0.00 -0.38 0.12 0.00 -0.26 0.00 0.00 57.72 57.20 2mfn n HIS 40 Cb 0.00 -0.09 0.45 0.00 1.12 0.00 0.00 29.99 31.47 2mfn n HIS 40 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2mfn n SER 41 N 0.36 0.55 -3.92 0.41 3.41 -1.26 -4.71 113.62 108.45 2mfn n SER 41 Ca 0.03 0.59 -0.14 0.00 -0.26 0.00 0.00 58.87 59.09 2mfn n SER 41 Cb 1.02 -0.73 -0.14 0.00 -0.26 0.00 0.00 64.21 64.10 2mfn n SER 41 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2mfn s VAL 42 N -3.17 0.25 -1.96 -3.33 0.11 -1.26 -5.01 120.40 106.02 2mfn s VAL 42 Ca 0.08 -0.13 0.27 0.00 -2.93 0.00 0.00 61.98 59.27 2mfn s VAL 42 Cb 0.11 -0.22 0.40 0.00 -1.53 0.00 0.00 36.38 35.15 2mfn s VAL 42 CO 0.46 0.07 1.68 0.61 -3.33 0.00 0.00 175.10 174.59 2mfn n GLY 43 N 3.00 -0.49 3.00 6.54 0.00 -1.26 -4.62 105.19 111.36 2mfn n GLY 43 Ca -0.13 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 2mfn n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2mfn s ARG 44 N -2.33 1.63 0.32 1.61 1.81 -1.26 -5.09 118.95 115.63 2mfn s ARG 44 Ca 0.30 -2.10 -0.29 0.00 -1.72 0.00 0.00 55.73 51.91 2mfn s ARG 44 Cb 0.20 -3.23 -0.11 0.00 -0.45 0.00 0.00 34.95 31.36 2mfn s ARG 44 CO 0.45 -0.99 1.46 -2.14 -0.68 0.00 0.00 175.30 173.40 2mfn s PRO 45 N 0.54 4.20 0.15 3.54 0.02 -1.26 -4.96 135.00 137.23 2mfn s PRO 45 Ca 0.13 2.43 -0.30 0.00 0.02 0.00 0.00 61.00 63.28 2mfn s PRO 45 Cb -0.21 -3.03 -0.07 0.00 0.02 0.00 0.00 34.50 31.20 2mfn s PRO 45 CO -0.06 -0.45 1.09 1.03 -0.33 0.00 0.00 177.00 178.28 2mfn s ARG 46 N -1.31 4.59 -0.27 5.54 1.81 -0.86 -4.96 118.95 123.49 2mfn s ARG 46 Ca 0.55 1.68 -0.10 0.00 -1.72 0.00 0.00 55.73 56.14 2mfn s ARG 46 Cb -0.44 -3.31 -0.04 0.00 -0.45 0.00 0.00 34.95 30.71 2mfn s ARG 46 CO 0.53 0.05 0.15 -0.65 -0.68 0.00 0.00 175.30 174.70 2mfn s GLN 47 N -0.11 3.86 -0.01 3.54 -0.21 -1.26 -1.73 119.66 123.73 2mfn s GLN 47 Ca 0.50 -0.37 0.06 0.00 0.02 0.00 0.00 55.36 55.57 2mfn s GLN 47 Cb -0.28 -3.53 -0.01 0.00 1.00 0.00 0.00 33.01 30.18 2mfn s GLN 47 CO 0.33 -0.16 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.65 2mfn s ASP 48 N 1.64 2.14 0.05 5.90 1.01 0.47 -4.96 116.67 122.92 2mfn s ASP 48 Ca 0.07 -0.34 0.05 0.00 0.71 0.00 0.00 52.55 53.04 2mfn s ASP 48 Cb -0.15 -0.24 -0.02 0.00 1.01 0.00 0.00 42.92 43.52 2mfn s ASP 48 CO 0.08 0.22 -0.14 -0.13 0.21 0.00 0.00 175.17 175.41 2mfn s ARG 49 N -0.45 0.91 0.01 8.23 3.00 -1.26 0.28 118.95 129.68 2mfn s ARG 49 Ca 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 55.73 54.98 2mfn s ARG 49 Cb -0.07 -0.93 -0.01 0.00 0.00 0.00 0.00 34.95 33.94 2mfn s ARG 49 CO -0.01 0.22 -0.02 0.14 0.00 0.00 0.00 175.30 175.63 2mfn s VAL 50 N -0.97 0.12 0.95 3.52 -7.23 -1.00 -4.83 120.40 110.96 2mfn s VAL 50 Ca 0.01 -0.55 -0.11 0.00 -1.81 0.00 0.00 61.98 59.52 2mfn s VAL 50 Cb -0.08 -0.20 0.16 0.00 0.56 0.00 0.00 36.38 36.82 2mfn s VAL 50 CO 0.02 -0.27 1.11 -2.16 -0.31 0.00 0.00 175.10 173.48 2mfn s PRO 51 N -0.86 0.79 0.41 4.82 0.04 -1.26 -2.53 135.00 136.42 2mfn s PRO 51 Ca -0.09 1.26 0.08 0.00 0.04 0.00 0.00 61.00 62.30 2mfn s PRO 51 Cb -0.06 -1.72 0.88 0.00 0.04 0.00 0.00 34.50 33.64 2mfn s PRO 51 CO -0.00 -2.69 2.04 -1.00 0.04 0.00 0.00 177.00 175.39 2mfn h PRO 52 N -1.90 0.52 0.00 0.56 0.13 -1.89 -1.54 132.00 127.89 2mfn h PRO 52 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2mfn h PRO 52 Cb 1.28 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2mfn h PRO 52 CO 0.46 0.35 0.00 1.03 -0.23 0.00 0.00 178.00 179.61 2mfn h SER 53 N 0.54 0.00 -3.64 1.44 0.87 -1.95 -3.41 113.55 107.40 2mfn h SER 53 Ca 0.18 0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 60.08 2mfn h SER 53 Cb 0.05 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 61.85 2mfn h SER 53 CO -0.04 0.00 -0.21 -0.13 -0.53 0.00 0.00 176.83 175.91 2mfn s ARG 54 N -3.66 3.58 0.00 2.24 1.81 -0.58 -4.89 118.95 117.45 2mfn s ARG 54 Ca 0.01 -0.34 0.15 0.00 -1.72 0.00 0.00 55.73 53.83 2mfn s ARG 54 Cb 0.09 -3.81 0.13 0.00 -0.45 0.00 0.00 34.95 30.92 2mfn s ARG 54 CO 0.53 -0.56 0.99 0.27 -0.68 0.00 0.00 175.30 175.85 2mfn n ASN 55 N 5.49 2.29 -4.04 0.23 6.94 -1.26 -4.69 115.26 120.22 2mfn n ASN 55 Ca -0.08 -1.64 -0.23 0.00 -0.02 0.00 0.00 54.58 52.62 2mfn n ASN 55 Cb 0.49 -0.01 -0.16 0.00 -2.36 0.00 0.00 39.78 37.74 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 -1.23 1.56 -0.03 0.53 1.04 -1.26 -2.33 113.70 111.99 2mfn s SER 56 Ca 0.18 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.39 2mfn s SER 56 Cb 0.13 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2mfn s SER 56 CO 0.19 0.08 -0.12 -0.51 0.98 0.00 0.00 173.24 173.86 2mfn s ILE 57 N 0.26 0.99 -0.26 -1.02 2.07 -1.00 -4.95 121.20 117.29 2mfn s ILE 57 Ca -0.06 -0.48 -0.11 0.00 -1.41 0.00 0.00 60.65 58.60 2mfn s ILE 57 Cb -0.11 -0.86 -0.05 0.00 0.13 0.00 0.00 42.46 41.57 2mfn s ILE 57 CO 0.01 0.30 0.18 -0.89 -1.91 0.00 0.00 174.94 172.63 2mfn s THR 58 N 0.10 5.33 0.06 4.00 2.01 -1.26 -1.86 115.64 124.02 2mfn s THR 58 Ca -0.02 0.18 -0.08 0.00 0.31 0.00 0.00 61.69 62.07 2mfn s THR 58 Cb -0.09 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 2mfn s THR 58 CO 0.01 0.29 0.35 -0.76 -0.69 0.00 0.00 174.62 173.82 2mfn s LEU 59 N 1.45 4.35 0.00 4.42 1.43 -0.95 -4.93 118.68 124.44 2mfn s LEU 59 Ca 0.07 0.69 0.04 0.00 -1.03 0.00 0.00 54.13 53.91 2mfn s LEU 59 Cb -0.15 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 2mfn s LEU 59 CO 0.08 0.19 0.16 0.35 0.23 0.00 0.00 176.35 177.36 2mfn n THR 60 N 0.89 0.00 -3.81 5.49 -2.24 -1.26 -2.26 114.28 111.09 2mfn n THR 60 Ca -0.08 -2.16 -0.23 0.00 -2.27 0.00 0.00 64.05 59.30 2mfn n THR 60 Cb 0.52 0.85 0.01 0.00 -2.10 0.00 0.00 70.33 69.62 2mfn n THR 60 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2mfn n ASN 61 N -1.64 -0.90 -4.51 3.42 3.02 -1.18 -4.90 115.26 108.58 2mfn n ASN 61 Ca -0.02 -0.90 -0.27 0.00 -0.03 0.00 0.00 54.58 53.36 2mfn n ASN 61 Cb 0.55 -3.63 -0.10 0.00 -0.61 0.00 0.00 39.78 35.99 2mfn n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2mfn s LEU 62 N -6.81 2.76 -0.03 3.41 1.43 -0.29 -5.06 118.68 114.09 2mfn s LEU 62 Ca 0.02 -0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 52.15 2mfn s LEU 62 Cb -0.01 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 2mfn s LEU 62 CO 0.84 0.12 1.46 0.20 0.23 0.00 0.00 176.35 179.20 2mfn s ASN 63 N -2.67 6.80 0.25 2.29 0.01 -1.26 -4.30 114.94 116.06 2mfn s ASN 63 Ca 0.22 2.11 -0.30 0.00 -0.71 0.00 0.00 52.86 54.18 2mfn s ASN 63 Cb -0.09 -2.55 -0.11 0.00 0.41 0.00 0.00 41.25 38.91 2mfn s ASN 63 CO 0.13 -0.78 1.56 -2.16 -1.51 0.00 0.00 177.10 174.33 2mfn s PRO 64 N 2.93 4.18 -0.26 -0.60 0.05 -1.24 -3.61 135.00 136.44 2mfn s PRO 64 Ca 0.66 2.47 -0.01 0.00 0.05 0.00 0.00 61.00 64.16 2mfn s PRO 64 Cb -0.31 -3.07 -0.01 0.00 0.05 0.00 0.00 34.50 31.15 2mfn s PRO 64 CO 0.26 -0.58 0.23 0.41 0.05 0.00 0.00 177.00 177.37 2mfn n GLY 65 N 2.65 0.16 3.18 0.56 0.00 1.12 -4.71 105.19 108.14 2mfn n GLY 65 Ca 0.10 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.08 0.06 -0.27 2.61 2.01 -1.04 -4.89 115.64 111.04 2mfn s THR 66 Ca 0.10 -0.51 -0.20 0.00 0.31 0.00 0.00 61.69 61.38 2mfn s THR 66 Cb -0.01 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 2mfn s THR 66 CO 0.20 -0.28 0.62 -0.70 -0.69 0.00 0.00 174.62 173.77 2mfn s GLU 67 N -1.20 4.03 0.14 4.92 2.12 -1.26 0.14 118.70 127.59 2mfn s GLU 67 Ca -0.13 0.43 0.06 0.00 0.36 0.00 0.00 54.97 55.70 2mfn s GLU 67 Cb -0.06 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 2mfn s GLU 67 CO 0.03 -0.47 0.00 0.71 -0.54 0.00 0.00 175.26 174.99 2mfn s TYR 68 N 2.53 2.91 -0.22 5.30 2.02 0.64 -3.82 117.35 126.70 2mfn s TYR 68 Ca 0.25 -0.09 -0.05 0.00 -0.37 0.00 0.00 57.07 56.81 2mfn s TYR 68 Cb -0.15 -1.45 -0.02 0.00 -0.40 0.00 0.00 41.96 39.95 2mfn s TYR 68 CO 0.10 0.50 -0.01 0.08 -1.57 0.00 0.00 175.55 174.64 2mfn s VAL 69 N -1.55 3.69 -0.11 0.71 1.01 0.22 -1.56 120.40 122.81 2mfn s VAL 69 Ca 0.27 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2mfn s VAL 69 Cb -0.10 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 2mfn s VAL 69 CO 0.18 0.41 -0.21 -0.69 0.00 0.00 0.00 175.10 174.79 2mfn s VAL 70 N 1.37 2.31 -0.05 2.92 1.01 -0.92 -1.54 120.40 125.49 2mfn s VAL 70 Ca 0.04 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.14 2mfn s VAL 70 Cb -0.14 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2mfn s VAL 70 CO -0.00 0.55 -0.19 -0.94 0.00 0.00 0.00 175.10 174.51 2mfn s SER 71 N 0.34 3.58 -0.20 3.32 1.04 -0.24 -2.02 113.70 119.52 2mfn s SER 71 Ca -0.17 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 2mfn s SER 71 Cb -0.17 -0.80 -0.01 0.00 0.10 0.00 0.00 66.02 65.13 2mfn s SER 71 CO 0.08 0.30 -0.07 -0.63 0.98 0.00 0.00 173.24 173.90 2mfn s ILE 72 N -0.46 3.24 -0.14 -1.02 -1.09 0.86 -1.84 121.20 120.74 2mfn s ILE 72 Ca 0.05 -0.55 -0.02 0.00 -2.23 0.00 0.00 60.65 57.91 2mfn s ILE 72 Cb -0.12 -2.45 -0.02 0.00 -1.58 0.00 0.00 42.46 38.29 2mfn s ILE 72 CO 0.01 0.45 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.45 2mfn s ILE 73 N 1.25 3.38 -0.23 2.92 -1.09 -0.75 -1.81 121.20 124.87 2mfn s ILE 73 Ca 0.03 -0.54 -0.15 0.00 -2.23 0.00 0.00 60.65 57.76 2mfn s ILE 73 Cb -0.14 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 2mfn s ILE 73 CO -0.03 0.51 0.36 0.00 -1.23 0.00 0.00 174.94 174.55 2mfn s ALA 74 N 0.35 3.57 -0.06 9.38 0.00 -1.26 -0.67 121.76 133.06 2mfn s ALA 74 Ca -0.08 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.23 2mfn s ALA 74 Cb -0.15 -2.62 -0.00 0.00 0.00 0.00 0.00 23.12 20.34 2mfn s ALA 74 CO 0.05 -0.43 -0.19 0.14 0.00 0.00 0.00 175.76 175.33 2mfn s VAL 75 N 1.59 1.60 -0.32 0.00 -7.23 -1.11 -0.40 120.40 114.52 2mfn s VAL 75 Ca 0.16 -0.78 0.07 0.00 -1.81 0.00 0.00 61.98 59.61 2mfn s VAL 75 Cb -0.15 -1.38 0.46 0.00 0.56 0.00 0.00 36.38 35.87 2mfn s VAL 75 CO 0.08 0.46 1.37 -3.20 -0.31 0.00 0.00 175.10 173.49 2mfn n ASN 76 N 3.33 4.09 0.00 4.85 5.15 -0.16 -1.00 115.26 131.52 2mfn n ASN 76 Ca -0.19 -3.80 0.00 0.00 -0.60 0.00 0.00 54.58 49.99 2mfn n ASN 76 Cb 0.53 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 -0.91 0.95 0.50 8.20 0.00 -1.26 -4.24 105.19 108.43 2mfn n GLY 77 Ca 0.39 -0.83 0.14 0.00 0.00 0.00 0.00 46.02 45.72 2mfn n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2mfn n ARG 78 N 0.00 1.69 -5.02 1.61 0.63 -1.26 -4.86 116.66 109.45 2mfn n ARG 78 Ca 0.00 -1.00 -0.31 0.00 -0.92 0.00 0.00 57.85 55.62 2mfn n ARG 78 Cb 0.00 -1.48 -0.14 0.00 0.45 0.00 0.00 32.46 31.29 2mfn n ARG 78 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2mfn s GLU 79 N -2.00 2.19 -0.01 -0.14 0.41 -1.26 -5.12 118.70 112.76 2mfn s GLU 79 Ca 0.38 -0.89 0.08 0.00 -0.41 0.00 0.00 54.97 54.13 2mfn s GLU 79 Cb 0.21 -2.16 -0.02 0.00 -1.78 0.00 0.00 34.13 30.38 2mfn s GLU 79 CO 0.33 0.57 -0.26 -1.21 -0.49 0.00 0.00 175.26 174.20 2mfn s GLU 80 N -0.86 2.08 0.50 1.61 2.02 -1.26 -0.99 118.70 121.79 2mfn s GLU 80 Ca 0.11 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 54.17 2mfn s GLU 80 Cb -0.10 -2.03 0.02 0.00 0.10 0.00 0.00 34.13 32.11 2mfn s GLU 80 CO 0.01 0.55 0.71 0.45 0.02 0.00 0.00 175.26 177.00 2mfn s SER 81 N -0.68 5.52 0.20 -0.19 0.15 0.46 -4.93 113.70 114.23 2mfn s SER 81 Ca 0.10 0.05 -0.33 0.00 0.70 0.00 0.00 55.95 56.48 2mfn s SER 81 Cb -0.10 -1.10 -0.13 0.00 -1.71 0.00 0.00 66.02 62.99 2mfn s SER 81 CO -0.01 -0.93 1.69 -2.65 1.20 0.00 0.00 173.24 172.54 2mfn n PRO 82 N -2.19 2.62 -1.53 5.44 -0.01 -1.26 -4.48 135.00 133.59 2mfn n PRO 82 Ca 0.05 0.94 -0.36 0.00 -0.01 0.00 0.00 63.50 64.13 2mfn n PRO 82 Cb 0.59 -2.77 0.09 0.00 -0.01 0.00 0.00 33.50 31.40 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 1.11 2.23 -0.22 0.52 0.04 -1.26 -4.64 135.00 132.78 2mfn s PRO 83 Ca 0.76 1.98 0.01 0.00 0.04 0.00 0.00 61.00 63.79 2mfn s PRO 83 Cb -0.55 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 32.22 2mfn s PRO 83 CO 0.34 -1.82 -0.07 -1.17 0.04 0.00 0.00 177.00 174.32 2mfn s LEU 84 N -4.81 2.41 -0.10 -3.56 2.96 -0.75 -4.98 118.68 109.86 2mfn s LEU 84 Ca 0.80 -1.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 2mfn s LEU 84 Cb -0.35 -1.18 0.00 0.00 0.50 0.00 0.00 46.19 45.16 2mfn s LEU 84 CO 0.43 -0.20 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.40 2mfn s ILE 85 N 1.41 2.02 0.37 6.68 1.01 -1.26 -0.10 121.20 131.32 2mfn s ILE 85 Ca -0.04 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.65 2mfn s ILE 85 Cb -0.18 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 2mfn s ILE 85 CO -0.07 0.55 0.13 -0.83 0.00 0.00 0.00 174.94 174.72 2mfn s GLY 86 N 0.36 2.38 -0.03 6.18 0.00 -0.86 -5.00 107.32 110.36 2mfn s GLY 86 Ca -0.19 -1.52 0.05 0.00 0.00 0.00 0.00 44.72 43.06 2mfn s GLY 86 CO 0.09 -1.75 -0.18 1.20 0.00 0.00 0.00 173.10 172.46 2mfn s GLN 87 N -3.75 1.66 -0.05 2.90 -0.21 -1.26 -2.17 119.66 116.78 2mfn s GLN 87 Ca 0.29 -0.63 0.02 0.00 0.02 0.00 0.00 55.36 55.06 2mfn s GLN 87 Cb 0.04 -1.50 0.01 0.00 1.00 0.00 0.00 33.01 32.56 2mfn s GLN 87 CO 0.16 0.31 -0.09 -1.14 -2.12 0.00 0.00 175.29 172.40 2mfn s GLN 88 N -0.16 1.34 -0.18 2.91 -0.44 -0.60 -4.96 119.66 117.57 2mfn s GLN 88 Ca 0.01 -0.30 -0.11 0.00 -2.50 0.00 0.00 55.36 52.46 2mfn s GLN 88 Cb -0.10 -1.16 -0.05 0.00 -1.64 0.00 0.00 33.01 30.06 2mfn s GLN 88 CO 0.01 0.01 0.17 0.00 0.50 0.00 0.00 175.29 175.98 2mfn s ALA 89 N 0.67 3.69 0.19 1.58 0.00 -1.26 -0.26 121.76 126.37 2mfn s ALA 89 Ca -0.12 -0.62 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 2mfn s ALA 89 Cb -0.15 -2.19 -0.08 0.00 0.00 0.00 0.00 23.12 20.70 2mfn s ALA 89 CO 0.02 0.21 1.14 0.95 0.00 0.00 0.00 175.76 178.08 2mfn s THR 90 N 0.16 3.73 0.99 0.00 -4.23 0.37 -4.85 115.64 111.82 2mfn s THR 90 Ca 0.11 1.50 -0.22 0.00 -1.18 0.00 0.00 61.69 61.90 2mfn s THR 90 Cb -0.12 -3.96 -0.08 0.00 1.34 0.00 0.00 72.50 69.69 2mfn s THR 90 CO 0.00 0.26 -0.90 0.52 -0.54 0.00 0.00 174.62 173.96 2mfn n VAL 91 N 2.34 0.00 -4.26 2.29 0.31 -1.23 -2.31 118.33 115.48 2mfn n VAL 91 Ca 0.03 -0.08 -0.30 0.00 -0.01 0.00 0.00 64.34 63.98 2mfn n VAL 91 Cb 0.46 -0.19 -0.10 0.00 -0.91 0.00 0.00 33.84 33.09 2mfn n VAL 91 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2mfn s SER 92 N -1.28 4.29 0.33 4.52 0.01 -1.26 0.36 113.70 120.67 2mfn s SER 92 Ca 0.38 -0.41 0.26 0.00 1.31 0.00 0.00 55.95 57.49 2mfn s SER 92 Cb 0.03 -0.78 1.09 0.00 0.21 0.00 0.00 66.02 66.57 2mfn s SER 92 CO 0.58 0.18 1.78 -0.78 0.41 0.00 0.00 173.24 175.42 2mfn h ASP 93 N 3.68 0.00 -3.83 2.44 1.82 -1.94 -3.33 116.42 115.26 2mfn h ASP 93 Ca -0.49 0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 55.60 2mfn h ASP 93 Cb 1.17 0.00 0.11 0.00 0.68 0.00 0.00 39.33 41.29 2mfn h ASP 93 CO 0.51 0.00 0.72 -0.38 -1.61 0.00 0.00 179.24 178.48 2mfn n ILE 94 N -2.46 2.10 -0.20 2.25 5.41 -1.26 -4.56 119.36 120.64 2mfn n ILE 94 Ca 0.02 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.27 2mfn n ILE 94 Cb 0.25 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 2mfn n ILE 94 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2mfn n PRO 95 N 0.38 -0.51 -3.73 0.38 -0.05 -1.26 -4.48 135.00 125.72 2mfn n PRO 95 Ca 0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 63.50 63.37 2mfn n PRO 95 Cb 0.39 0.00 -0.05 0.00 -0.05 0.00 0.00 33.50 33.79 2mfn n PRO 95 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 2mfn s ARG 96 N -1.90 1.15 -1.37 0.54 0.52 -1.02 -4.89 118.95 111.98 2mfn s ARG 96 Ca 0.00 -0.85 -0.09 0.00 -0.52 0.00 0.00 55.73 54.27 2mfn s ARG 96 Cb 0.00 0.46 0.01 0.00 0.52 0.00 0.00 34.95 35.94 2mfn s ARG 96 CO 0.00 -0.45 1.18 -0.25 0.02 0.00 0.00 175.30 175.79 2mfn n ASP 97 N -0.24 -6.30 -4.55 0.23 8.00 -1.26 0.52 116.55 112.94 2mfn n ASP 97 Ca -0.13 -0.55 -0.37 0.00 0.71 0.00 0.00 54.79 54.45 2mfn n ASP 97 Cb 0.63 -4.97 -0.03 0.00 -0.02 0.00 0.00 41.12 36.72 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 -7.32 3.26 0.24 0.64 2.96 -1.25 -3.98 118.68 113.23 2mfn s LEU 98 Ca 0.59 -0.24 -0.13 0.00 -0.22 0.00 0.00 54.13 54.13 2mfn s LEU 98 Cb -0.26 -2.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.88 2mfn s LEU 98 CO 0.74 -2.25 0.47 -1.83 -1.32 0.00 0.00 176.35 172.16 2mfn s GLU 99 N 6.54 1.54 -0.06 1.98 -1.05 -1.09 -4.82 118.70 121.73 2mfn s GLU 99 Ca 0.59 -1.24 -0.11 0.00 -0.15 0.00 0.00 54.97 54.05 2mfn s GLU 99 Cb -0.09 0.47 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 2mfn s GLU 99 CO 0.12 -0.64 0.29 0.08 0.95 0.00 0.00 175.26 176.06 2mfn s VAL 100 N -4.02 5.24 -0.47 1.83 1.01 -1.26 -1.74 120.40 121.00 2mfn s VAL 100 Ca 0.22 0.56 0.12 0.00 0.00 0.00 0.00 61.98 62.89 2mfn s VAL 100 Cb -0.01 -3.58 -0.14 0.00 0.00 0.00 0.00 36.38 32.65 2mfn s VAL 100 CO 0.09 0.58 0.47 2.30 0.00 0.00 0.00 175.10 178.54 2mfn n ILE 101 N 1.99 0.00 -3.82 2.22 -5.35 -0.52 -4.98 119.36 108.91 2mfn n ILE 101 Ca -0.16 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 61.97 2mfn n ILE 101 Cb 0.53 0.85 -0.09 0.00 -1.74 0.00 0.00 39.64 39.20 2mfn n ILE 101 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2mfn s ALA 102 N -2.28 -0.54 -0.06 -1.28 0.00 -1.25 -5.00 121.76 111.35 2mfn s ALA 102 Ca 0.03 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.06 2mfn s ALA 102 Cb 0.09 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.35 2mfn s ALA 102 CO 0.50 -0.25 -0.11 -1.12 0.00 0.00 0.00 175.76 174.78 2mfn s SER 103 N -1.47 1.61 0.23 0.00 0.01 -1.26 -1.78 113.70 111.04 2mfn s SER 103 Ca -0.13 -0.27 0.09 0.00 1.31 0.00 0.00 55.95 56.96 2mfn s SER 103 Cb -0.06 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.38 2mfn s SER 103 CO 0.02 0.02 -0.04 0.42 0.41 0.00 0.00 173.24 174.07 2mfn s THR 104 N 0.70 3.37 0.31 1.44 -4.23 0.13 -4.99 115.64 112.38 2mfn s THR 104 Ca -0.14 -1.81 0.08 0.00 -1.18 0.00 0.00 61.69 58.63 2mfn s THR 104 Cb -0.16 -2.76 0.30 0.00 1.34 0.00 0.00 72.50 71.23 2mfn s THR 104 CO 0.03 -0.28 1.72 -0.65 -0.54 0.00 0.00 174.62 174.90 2mfn h PRO 105 N 2.26 0.50 0.00 3.99 0.10 -2.00 -2.76 132.00 134.08 2mfn h PRO 105 Ca -0.45 -0.03 0.00 0.00 0.10 0.00 0.00 66.00 65.62 2mfn h PRO 105 Cb 1.23 -0.11 0.00 0.00 0.10 0.00 0.00 31.00 32.22 2mfn h PRO 105 CO 0.58 0.33 -0.25 0.25 0.10 0.00 0.00 178.00 179.02 2mfn n THR 106 N -4.94 0.95 -3.97 -1.15 -2.24 -1.26 -4.54 114.28 97.12 2mfn n THR 106 Ca 0.25 -1.14 -0.09 0.00 -2.27 0.00 0.00 64.05 60.81 2mfn n THR 106 Cb 0.72 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 2mfn n THR 106 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2mfn s SER 107 N -1.94 -0.13 0.04 3.42 1.04 -1.04 -2.88 113.70 112.22 2mfn s SER 107 Ca 0.16 -0.86 -0.06 0.00 0.48 0.00 0.00 55.95 55.68 2mfn s SER 107 Cb 0.14 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.86 2mfn s SER 107 CO 0.01 -1.18 0.10 -0.76 0.98 0.00 0.00 173.24 172.40 2mfn s LEU 108 N -3.00 1.79 -0.26 2.42 1.43 -0.82 0.20 118.68 120.45 2mfn s LEU 108 Ca 0.20 -0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 52.66 2mfn s LEU 108 Cb -0.02 0.62 -0.04 0.00 0.03 0.00 0.00 46.19 46.79 2mfn s LEU 108 CO 0.08 -0.53 0.11 -0.22 0.23 0.00 0.00 176.35 176.02 2mfn s LEU 109 N -2.20 3.65 0.04 1.79 2.96 -0.73 -0.77 118.68 123.41 2mfn s LEU 109 Ca -0.04 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 2mfn s LEU 109 Cb -0.00 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2mfn s LEU 109 CO -0.05 -0.03 0.02 0.27 -1.32 0.00 0.00 176.35 175.23 2mfn s ILE 110 N 1.60 4.20 -0.00 6.68 -4.36 0.51 -1.44 121.20 128.39 2mfn s ILE 110 Ca 0.06 -0.72 -0.02 0.00 -0.26 0.00 0.00 60.65 59.72 2mfn s ILE 110 Cb -0.15 -2.93 -0.00 0.00 1.25 0.00 0.00 42.46 40.62 2mfn s ILE 110 CO 0.06 0.27 0.03 -0.94 0.24 0.00 0.00 174.94 174.59 2mfn s SER 111 N -1.89 0.06 0.11 4.36 1.04 -0.71 -0.83 113.70 115.83 2mfn s SER 111 Ca 0.23 -0.14 -0.13 0.00 0.48 0.00 0.00 55.95 56.39 2mfn s SER 111 Cb -0.12 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.12 2mfn s SER 111 CO 0.14 -0.14 0.31 -1.66 0.98 0.00 0.00 173.24 172.87 2mfn s TRP 112 N -0.60 -0.05 -0.05 5.02 -2.14 -0.98 -2.67 118.94 117.47 2mfn s TRP 112 Ca -0.07 -0.32 -0.10 0.00 2.66 0.00 0.00 56.10 58.27 2mfn s TRP 112 Cb -0.04 0.12 -0.05 0.00 -3.10 0.00 0.00 33.47 30.40 2mfn s TRP 112 CO -0.00 -0.63 0.27 -1.21 -2.66 0.00 0.00 176.95 172.72 2mfn s GLU 113 N -3.83 3.67 0.29 3.25 2.02 0.18 -4.77 118.70 119.51 2mfn s GLU 113 Ca 0.04 0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.84 2mfn s GLU 113 Cb 0.03 -3.19 -0.11 0.00 0.10 0.00 0.00 34.13 30.96 2mfn s GLU 113 CO -0.12 0.72 1.62 -1.25 0.02 0.00 0.00 175.26 176.26 2mfn s PRO 114 N -1.14 4.11 0.29 0.39 0.04 -1.26 -2.42 135.00 135.00 2mfn s PRO 114 Ca 0.20 2.60 -0.05 0.00 0.04 0.00 0.00 61.00 63.80 2mfn s PRO 114 Cb -0.14 -3.02 0.07 0.00 0.04 0.00 0.00 34.50 31.45 2mfn s PRO 114 CO 0.10 -0.66 0.17 -0.35 0.04 0.00 0.00 177.00 176.29 2mfn n PRO 115 N 2.38 -2.49 0.00 0.56 -0.04 -1.26 -4.82 135.00 129.33 2mfn n PRO 115 Ca 0.09 -0.28 0.14 0.00 -0.04 0.00 0.00 63.50 63.41 2mfn n PRO 115 Cb 0.37 -0.37 0.78 0.00 -0.04 0.00 0.00 33.50 34.24 2mfn n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2mfn n ALA 116 N -3.50 2.48 -2.28 0.55 0.00 -1.25 -4.77 120.51 111.72 2mfn n ALA 116 Ca -0.04 -0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.09 2mfn n ALA 116 Cb 0.12 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.14 1.35 0.59 0.00 -7.23 -1.26 -4.29 120.40 107.42 2mfn s VAL 117 Ca 0.37 -2.11 -0.17 0.00 -1.81 0.00 0.00 61.98 58.26 2mfn s VAL 117 Cb 0.19 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 2mfn s VAL 117 CO 0.34 -0.70 1.12 -0.94 -0.31 0.00 0.00 175.10 174.61 2mfn s SER 118 N -3.22 5.49 -0.04 4.85 1.04 -1.26 -5.04 113.70 115.52 2mfn s SER 118 Ca 0.19 2.08 0.03 0.00 0.48 0.00 0.00 55.95 58.72 2mfn s SER 118 Cb 0.01 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.57 2mfn s SER 118 CO 0.03 -1.37 -0.11 -0.69 0.98 0.00 0.00 173.24 172.07 2mfn s VAL 119 N -2.04 1.00 -0.02 5.02 1.01 -1.26 -4.84 120.40 119.27 2mfn s VAL 119 Ca 0.70 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.98 2mfn s VAL 119 Cb -0.22 -0.90 -0.20 0.00 0.00 0.00 0.00 36.38 35.06 2mfn s VAL 119 CO 0.33 0.31 1.18 0.08 0.00 0.00 0.00 175.10 177.00 2mfn h ARG 120 N 6.56 0.17 -2.30 2.72 0.11 -1.70 -3.43 114.38 116.50 2mfn h ARG 120 Ca -0.33 -0.12 0.13 0.00 0.10 0.00 0.00 59.98 59.76 2mfn h ARG 120 Cb 1.17 0.02 -0.13 0.00 1.11 0.00 0.00 29.97 32.14 2mfn h ARG 120 CO 0.48 0.74 0.49 1.52 0.10 0.00 0.00 179.97 183.30 2mfn s TYR 121 N -3.75 -0.29 0.13 4.08 -0.85 -1.12 -2.76 117.35 112.79 2mfn s TYR 121 Ca -0.16 0.12 0.10 0.00 -0.52 0.00 0.00 57.07 56.61 2mfn s TYR 121 Cb 0.02 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.89 2mfn s TYR 121 CO 0.72 -0.62 -0.23 0.71 -1.52 0.00 0.00 175.55 174.61 2mfn s TYR 122 N -3.17 2.05 -0.15 -3.49 1.51 -1.02 -0.25 117.35 112.84 2mfn s TYR 122 Ca 0.07 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 2mfn s TYR 122 Cb -0.01 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.72 2mfn s TYR 122 CO -0.06 0.31 -0.05 -0.98 -1.11 0.00 0.00 175.55 173.65 2mfn s ARG 123 N -2.16 3.62 0.03 -0.62 1.70 0.10 0.17 118.95 121.79 2mfn s ARG 123 Ca 0.12 -0.55 0.05 0.00 -0.47 0.00 0.00 55.73 54.88 2mfn s ARG 123 Cb -0.09 -2.88 -0.03 0.00 -0.57 0.00 0.00 34.95 31.38 2mfn s ARG 123 CO 0.06 0.23 -0.10 0.42 -1.08 0.00 0.00 175.30 174.83 2mfn s ILE 124 N 0.39 3.41 0.02 4.99 1.01 -0.00 -0.25 121.20 130.77 2mfn s ILE 124 Ca -0.05 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 59.72 2mfn s ILE 124 Cb -0.14 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 2mfn s ILE 124 CO 0.03 0.32 -0.24 0.42 0.00 0.00 0.00 174.94 175.48 2mfn s THR 125 N -1.03 1.89 -0.05 2.92 -4.23 0.29 -1.13 115.64 114.31 2mfn s THR 125 Ca 0.18 -1.18 -0.25 0.00 -1.18 0.00 0.00 61.69 59.25 2mfn s THR 125 Cb -0.11 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.09 2mfn s THR 125 CO 0.08 0.39 0.79 -0.31 -0.54 0.00 0.00 174.62 175.03 2mfn s TYR 126 N -0.70 3.60 -0.12 3.99 1.51 0.27 -2.51 117.35 123.39 2mfn s TYR 126 Ca 0.09 1.39 -0.02 0.00 -1.01 0.00 0.00 57.07 57.52 2mfn s TYR 126 Cb -0.09 -2.90 -0.03 0.00 -0.11 0.00 0.00 41.96 38.83 2mfn s TYR 126 CO 0.01 0.06 -0.02 0.20 -1.11 0.00 0.00 175.55 174.68 2mfn s GLY 127 N 0.86 1.77 0.11 0.71 0.00 0.25 -2.89 107.32 108.13 2mfn s GLY 127 Ca 0.42 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 44.36 2mfn s GLY 127 CO 0.21 -0.35 0.09 -0.54 0.00 0.00 0.00 173.10 172.52 2mfn s GLU 128 N -0.29 2.86 0.00 2.90 2.02 -1.26 -1.02 118.70 123.91 2mfn s GLU 128 Ca 0.05 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.28 2mfn s GLU 128 Cb -0.12 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.42 2mfn s GLU 128 CO 0.02 0.53 0.05 0.25 0.02 0.00 0.00 175.26 176.13 2mfn n THR 129 N 0.17 0.00 0.00 3.63 -2.24 0.53 -3.98 114.28 112.38 2mfn n THR 129 Ca -0.09 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2mfn n THR 129 Cb 0.53 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.23 1.40 0.00 3.38 0.00 -1.26 -4.91 105.19 103.57 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 2.50 -1.33 1.02 -0.02 0.00 -1.26 -4.97 105.19 101.14 2mfn n GLY 131 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2mfn n GLY 131 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2mfn n ASN 132 N 0.00 0.00 -3.58 1.61 5.03 -1.26 -4.71 115.26 112.35 2mfn n ASN 132 Ca 0.00 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.34 2mfn n ASN 132 Cb 0.00 -0.50 -0.05 0.00 -1.02 0.00 0.00 39.78 38.21 2mfn n ASN 132 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2mfn s SER 133 N -0.98 -0.40 0.79 6.41 0.01 -1.26 -5.16 113.70 113.12 2mfn s SER 133 Ca 0.00 0.47 -0.14 0.00 1.31 0.00 0.00 55.95 57.59 2mfn s SER 133 Cb 0.00 0.38 0.06 0.00 0.21 0.00 0.00 66.02 66.67 2mfn s SER 133 CO 0.00 -0.34 1.15 -0.81 0.41 0.00 0.00 173.24 173.65 2mfn n PRO 134 N 0.90 0.27 -2.41 12.44 -0.04 -1.26 -4.99 135.00 139.91 2mfn n PRO 134 Ca -0.11 0.16 -0.26 0.00 -0.04 0.00 0.00 63.50 63.25 2mfn n PRO 134 Cb 0.58 -2.39 0.04 0.00 -0.04 0.00 0.00 33.50 31.68 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 -2.04 3.35 -0.34 0.52 -7.23 -1.26 -4.99 120.40 108.40 2mfn s VAL 135 Ca 0.73 -0.12 -0.13 0.00 -1.81 0.00 0.00 61.98 60.65 2mfn s VAL 135 Cb -0.30 -3.34 -0.02 0.00 0.56 0.00 0.00 36.38 33.28 2mfn s VAL 135 CO 0.51 -0.34 0.26 -1.10 -0.31 0.00 0.00 175.10 174.12 2mfn s GLN 136 N -5.00 3.50 -0.10 4.82 -0.21 -1.14 -4.75 119.66 116.78 2mfn s GLN 136 Ca 0.55 -0.62 -0.03 0.00 0.02 0.00 0.00 55.36 55.28 2mfn s GLN 136 Cb -0.11 -3.81 -0.04 0.00 1.00 0.00 0.00 33.01 30.06 2mfn s GLN 136 CO 0.44 -0.46 0.04 -1.21 -2.12 0.00 0.00 175.29 171.98 2mfn s GLU 137 N 1.76 3.12 0.02 2.91 2.02 -1.26 0.93 118.70 128.20 2mfn s GLU 137 Ca 0.07 -0.32 -0.09 0.00 0.02 0.00 0.00 54.97 54.65 2mfn s GLU 137 Cb -0.17 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.15 2mfn s GLU 137 CO 0.11 0.73 0.18 -0.59 0.02 0.00 0.00 175.26 175.70 2mfn s PHE 138 N -0.93 0.03 0.54 1.61 -0.12 -0.28 -4.97 117.98 113.86 2mfn s PHE 138 Ca 0.14 -0.16 -0.08 0.00 -0.05 0.00 0.00 56.93 56.78 2mfn s PHE 138 Cb -0.12 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 2mfn s PHE 138 CO 0.03 -0.35 0.89 0.95 -0.05 0.00 0.00 175.22 176.68 2mfn s THR 139 N -1.87 4.79 -0.19 -4.49 -4.23 -1.26 -0.82 115.64 107.57 2mfn s THR 139 Ca -0.11 0.46 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 2mfn s THR 139 Cb -0.05 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 69.96 2mfn s THR 139 CO -0.00 -0.96 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.24 2mfn s VAL 140 N -2.93 2.05 -0.27 2.29 1.01 0.44 -4.84 120.40 118.15 2mfn s VAL 140 Ca 0.51 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 2mfn s VAL 140 Cb -0.11 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2mfn s VAL 140 CO 0.49 0.48 2.09 -2.16 0.00 0.00 0.00 175.10 176.00 2mfn s PRO 141 N 1.28 3.14 0.02 2.72 0.05 -1.26 -2.42 135.00 138.53 2mfn s PRO 141 Ca 0.04 1.80 0.01 0.00 0.05 0.00 0.00 61.00 62.90 2mfn s PRO 141 Cb -0.14 -4.33 0.03 0.00 0.05 0.00 0.00 34.50 30.12 2mfn s PRO 141 CO -0.12 -2.09 0.78 0.41 0.05 0.00 0.00 177.00 176.03 2mfn n GLY 142 N 5.67 -0.27 0.26 0.56 0.00 -1.11 -0.01 105.19 110.28 2mfn n GLY 142 Ca 0.28 0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.47 2mfn n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2mfn h SER 143 N 0.00 0.00 -4.48 1.61 4.64 -1.86 -3.43 113.55 110.03 2mfn h SER 143 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 2mfn h SER 143 Cb 0.51 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.31 2mfn h SER 143 CO 0.00 0.00 -0.87 -0.54 -0.87 0.00 0.00 176.83 174.55 2mfn s LYS 144 N -3.63 1.85 0.00 4.77 -0.14 0.98 -5.00 119.74 118.57 2mfn s LYS 144 Ca 0.01 -0.87 0.28 0.00 -1.36 0.00 0.00 55.97 54.03 2mfn s LYS 144 Cb 0.09 -1.82 0.99 0.00 -1.68 0.00 0.00 37.83 35.40 2mfn s LYS 144 CO 0.52 0.50 1.71 0.43 -0.76 0.00 0.00 175.35 177.74 2mfn n SER 145 N 2.39 1.39 -4.22 2.83 7.64 -1.26 -4.83 113.62 117.56 2mfn n SER 145 Ca -0.16 -1.36 -0.13 0.00 1.01 0.00 0.00 58.87 58.23 2mfn n SER 145 Cb 0.52 0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.65 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 -2.11 1.02 0.16 0.44 -4.23 -1.26 -2.32 115.64 107.34 2mfn s THR 146 Ca 0.35 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 58.86 2mfn s THR 146 Cb 0.21 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 72.30 2mfn s THR 146 CO 0.38 -0.74 0.17 0.00 -0.54 0.00 0.00 174.62 173.89 2mfn s ALA 147 N -3.23 0.54 0.09 3.99 0.00 -0.01 -4.97 121.76 118.17 2mfn s ALA 147 Ca 0.13 -1.27 0.06 0.00 0.00 0.00 0.00 51.96 50.89 2mfn s ALA 147 Cb 0.02 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 24.07 2mfn s ALA 147 CO -0.01 -0.58 -0.08 0.99 0.00 0.00 0.00 175.76 176.08 2mfn s THR 148 N -4.04 3.48 -0.17 0.00 2.01 -1.26 -0.37 115.64 115.30 2mfn s THR 148 Ca 0.24 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 61.08 2mfn s THR 148 Cb 0.05 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 69.95 2mfn s THR 148 CO 0.03 0.15 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.32 2mfn s ILE 149 N -1.20 2.45 0.35 1.82 -1.09 0.05 -4.94 121.20 118.66 2mfn s ILE 149 Ca 0.21 -0.83 0.05 0.00 -2.23 0.00 0.00 60.65 57.85 2mfn s ILE 149 Cb -0.11 -2.03 -0.07 0.00 -1.58 0.00 0.00 42.46 38.67 2mfn s ILE 149 CO 0.13 0.52 0.04 0.20 -1.23 0.00 0.00 174.94 174.61 2mfn s ASN 150 N 1.01 2.86 -0.90 3.58 -0.87 -1.26 -1.95 114.94 117.42 2mfn s ASN 150 Ca -0.02 -1.38 -0.02 0.00 -1.57 0.00 0.00 52.86 49.87 2mfn s ASN 150 Cb -0.15 -0.18 0.00 0.00 -0.02 0.00 0.00 41.25 40.91 2mfn s ASN 150 CO -0.04 -0.56 0.76 0.59 -2.57 0.00 0.00 177.10 175.28 2mfn n ASN 151 N -0.78 -3.07 -4.70 -1.22 3.02 -1.24 -5.00 115.26 102.28 2mfn n ASN 151 Ca -0.03 -0.43 -0.30 0.00 -0.03 0.00 0.00 54.58 53.79 2mfn n ASN 151 Cb 0.67 -3.80 -0.08 0.00 -0.61 0.00 0.00 39.78 35.96 2mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2mfn s ILE 152 N -3.25 4.09 -0.42 2.41 2.07 -1.14 -5.08 121.20 119.88 2mfn s ILE 152 Ca 0.14 -0.95 -0.16 0.00 -1.41 0.00 0.00 60.65 58.27 2mfn s ILE 152 Cb -0.06 -2.95 0.02 0.00 0.13 0.00 0.00 42.46 39.60 2mfn s ILE 152 CO 0.52 0.13 0.38 -0.54 -1.91 0.00 0.00 174.94 173.53 2mfn s LYS 153 N -2.29 3.05 1.18 3.50 1.02 -1.26 -4.80 119.74 120.14 2mfn s LYS 153 Ca 0.26 -0.86 -0.17 0.00 0.02 0.00 0.00 55.97 55.22 2mfn s LYS 153 Cb -0.12 -3.97 0.28 0.00 -0.52 0.00 0.00 37.83 33.50 2mfn s LYS 153 CO 0.18 -0.81 1.06 -1.25 -0.92 0.00 0.00 175.35 173.62 2mfn s PRO 154 N 1.96 -1.07 -0.98 -1.68 0.05 -1.26 -4.09 135.00 127.93 2mfn s PRO 154 Ca 0.09 0.23 0.00 0.00 0.05 0.00 0.00 61.00 61.38 2mfn s PRO 154 Cb -0.18 -1.59 0.00 0.00 0.05 0.00 0.00 34.50 32.78 2mfn s PRO 154 CO 0.12 -3.67 0.00 0.41 0.05 0.00 0.00 177.00 173.91 2mfn n GLY 155 N -0.36 0.38 3.38 0.56 0.00 -1.26 -4.99 105.19 102.90 2mfn n GLY 155 Ca 0.09 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.48 -1.32 0.34 4.61 0.00 -1.26 -4.99 121.76 116.66 2mfn s ALA 156 Ca 0.00 0.33 -0.26 0.00 0.00 0.00 0.00 51.96 52.03 2mfn s ALA 156 Cb 0.00 0.73 -0.10 0.00 0.00 0.00 0.00 23.12 23.76 2mfn s ALA 156 CO 0.00 -0.68 0.99 0.34 0.00 0.00 0.00 175.76 176.41 2mfn s ASP 157 N -2.63 7.15 0.14 0.00 -1.08 -1.26 -1.30 116.67 117.69 2mfn s ASP 157 Ca 0.01 1.94 0.05 0.00 -0.52 0.00 0.00 52.55 54.03 2mfn s ASP 157 Cb 0.00 -2.59 -0.04 0.00 -1.46 0.00 0.00 42.92 38.83 2mfn s ASP 157 CO -0.11 -0.20 -0.11 -0.31 0.52 0.00 0.00 175.17 174.95 2mfn s TYR 158 N -1.58 1.31 -0.12 -5.34 1.51 0.35 0.20 117.35 113.68 2mfn s TYR 158 Ca 0.52 -0.68 -0.01 0.00 -1.01 0.00 0.00 57.07 55.89 2mfn s TYR 158 Cb -0.21 -0.67 0.03 0.00 -0.11 0.00 0.00 41.96 41.00 2mfn s TYR 158 CO 0.27 0.11 -0.06 0.99 -1.11 0.00 0.00 175.55 175.75 2mfn s THR 159 N -2.90 0.96 -0.28 -0.71 2.01 -0.19 0.13 115.64 114.65 2mfn s THR 159 Ca 0.14 -0.31 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 2mfn s THR 159 Cb -0.00 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 2mfn s THR 159 CO 0.02 0.30 0.17 -0.63 -0.69 0.00 0.00 174.62 173.79 2mfn s ILE 160 N 1.73 5.16 -0.00 1.82 1.01 -0.55 0.84 121.20 131.21 2mfn s ILE 160 Ca 0.04 0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.85 2mfn s ILE 160 Cb -0.13 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 2mfn s ILE 160 CO -0.08 0.25 -0.17 -0.89 0.00 0.00 0.00 174.94 174.05 2mfn s THR 161 N 1.74 1.34 0.03 2.92 2.01 -1.04 -1.30 115.64 121.34 2mfn s THR 161 Ca 0.07 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.29 2mfn s THR 161 Cb -0.16 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 2mfn s THR 161 CO 0.10 0.33 -0.04 -1.48 -0.69 0.00 0.00 174.62 172.84 2mfn s LEU 162 N -0.52 2.30 0.01 4.42 0.05 -0.92 0.11 118.68 124.12 2mfn s LEU 162 Ca 0.06 -0.63 0.09 0.00 0.05 0.00 0.00 54.13 53.70 2mfn s LEU 162 Cb -0.07 0.06 -0.02 0.00 -2.05 0.00 0.00 46.19 44.11 2mfn s LEU 162 CO -0.00 -0.35 -0.26 -0.31 -0.55 0.00 0.00 176.35 174.88 2mfn s TYR 163 N -2.03 2.33 -0.13 3.48 1.51 0.65 -2.64 117.35 120.52 2mfn s TYR 163 Ca -0.09 -0.43 -0.08 0.00 -1.01 0.00 0.00 57.07 55.46 2mfn s TYR 163 Cb -0.06 -1.46 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 2mfn s TYR 163 CO -0.03 0.03 0.16 0.00 -1.11 0.00 0.00 175.55 174.60 2mfn s ALA 164 N -0.69 3.81 -0.23 3.71 0.00 -1.26 0.00 121.76 127.10 2mfn s ALA 164 Ca 0.11 -0.62 -0.05 0.00 0.00 0.00 0.00 51.96 51.40 2mfn s ALA 164 Cb -0.10 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 2mfn s ALA 164 CO 0.00 0.48 -0.01 0.08 0.00 0.00 0.00 175.76 176.32 2mfn s VAL 165 N -0.63 3.68 -0.07 0.00 1.01 0.65 -2.83 120.40 122.21 2mfn s VAL 165 Ca 0.14 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 2mfn s VAL 165 Cb -0.12 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2mfn s VAL 165 CO 0.03 0.40 -0.08 0.35 0.00 0.00 0.00 175.10 175.79 2mfn n THR 166 N 4.82 0.37 -0.98 3.92 -2.24 -1.14 -2.30 114.28 116.73 2mfn n THR 166 Ca -0.18 -0.10 -0.34 0.00 -2.27 0.00 0.00 64.05 61.16 2mfn n THR 166 Cb 0.51 -1.49 0.09 0.00 -2.10 0.00 0.00 70.33 67.34 2mfn n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2mfn n GLY 167 N 2.65 -2.29 3.00 3.38 0.00 -1.25 -4.54 105.19 106.14 2mfn n GLY 167 Ca -0.13 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 2mfn n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2mfn s ARG 168 N -3.07 1.48 0.00 1.61 0.52 -1.26 -4.45 118.95 113.79 2mfn s ARG 168 Ca 0.57 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 2mfn s ARG 168 Cb -0.26 -1.26 0.00 0.00 0.52 0.00 0.00 34.95 33.95 2mfn s ARG 168 CO 0.67 0.02 0.00 0.41 0.02 0.00 0.00 175.30 176.42 2mfn n GLY 169 N 3.81 0.22 0.14 -3.53 0.00 -1.26 -4.80 105.19 99.77 2mfn n GLY 169 Ca -0.23 -1.62 -0.03 0.00 0.00 0.00 0.00 46.02 44.14 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 0.07 -2.47 1.61 3.32 -2.07 -3.35 116.42 113.53 2mfn h ASP 170 Ca 0.00 -0.05 -0.60 0.00 0.02 0.00 0.00 57.03 56.41 2mfn h ASP 170 Cb 0.00 -0.02 -0.40 0.00 0.22 0.00 0.00 39.33 39.13 2mfn h ASP 170 CO 0.00 0.72 -0.80 -1.20 -1.72 0.00 0.00 179.24 176.23 2mfn n SER 171 N -3.77 1.55 -3.79 6.45 7.64 -1.26 -5.11 113.62 115.34 2mfn n SER 171 Ca -0.01 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 56.96 2mfn n SER 171 Cb 0.65 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2mfn n SER 171 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2mfn n PRO 172 N 1.89 0.96 -4.15 1.43 -0.02 -1.26 -4.93 135.00 128.92 2mfn n PRO 172 Ca 0.25 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.63 2mfn n PRO 172 Cb 0.44 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.82 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 -2.39 0.90 0.05 3.55 0.00 -1.26 -4.90 121.76 117.71 2mfn s ALA 173 Ca 0.00 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.72 2mfn s ALA 173 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 2mfn s ALA 173 CO 0.00 -0.22 -0.11 -1.54 0.00 0.00 0.00 175.76 173.89 2mfn s SER 174 N -2.88 1.25 0.80 0.00 1.04 -1.26 -2.88 113.70 109.77 2mfn s SER 174 Ca 0.09 -0.57 -0.10 0.00 0.48 0.00 0.00 55.95 55.85 2mfn s SER 174 Cb 0.04 -0.01 0.11 0.00 0.10 0.00 0.00 66.02 66.26 2mfn s SER 174 CO -0.05 -0.13 1.14 -0.94 0.98 0.00 0.00 173.24 174.24 2mfn s SER 175 N -1.61 4.24 0.26 7.02 1.04 -1.13 -4.97 113.70 118.55 2mfn s SER 175 Ca -0.06 0.43 -0.31 0.00 0.48 0.00 0.00 55.95 56.49 2mfn s SER 175 Cb -0.10 -0.85 -0.12 0.00 0.10 0.00 0.00 66.02 65.05 2mfn s SER 175 CO 0.01 -2.01 1.63 0.29 0.98 0.00 0.00 173.24 174.14 2mfn n LYS 176 N -3.25 2.67 -1.75 4.02 5.02 -1.26 -4.61 118.16 118.99 2mfn n LYS 176 Ca 0.10 0.95 -0.39 0.00 -2.02 0.00 0.00 58.31 56.96 2mfn n LYS 176 Cb 0.60 -2.75 0.04 0.00 -0.02 0.00 0.00 35.03 32.90 2mfn n LYS 176 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2mfn s PRO 177 N 0.07 3.19 -0.11 1.97 0.04 -1.26 -4.82 135.00 134.08 2mfn s PRO 177 Ca 0.68 2.30 0.04 0.00 0.04 0.00 0.00 61.00 64.06 2mfn s PRO 177 Cb -0.51 -2.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.71 2mfn s PRO 177 CO 0.43 -1.17 -0.23 0.08 0.04 0.00 0.00 177.00 176.15 2mfn s VAL 178 N -1.27 2.14 0.16 -0.36 1.01 -1.08 -5.01 120.40 115.99 2mfn s VAL 178 Ca 0.70 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.77 2mfn s VAL 178 Cb -0.42 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2mfn s VAL 178 CO 0.50 0.56 -0.17 -0.94 0.00 0.00 0.00 175.10 175.05 2mfn s SER 179 N 0.37 2.50 0.12 3.32 1.04 -1.26 -2.18 113.70 117.61 2mfn s SER 179 Ca -0.18 -0.87 -0.01 0.00 0.48 0.00 0.00 55.95 55.37 2mfn s SER 179 Cb -0.18 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 65.77 2mfn s SER 179 CO 0.08 -0.08 0.03 0.27 0.98 0.00 0.00 173.24 174.52 2mfn s ILE 180 N -2.22 0.22 -0.14 -1.02 -4.36 -0.42 -4.99 121.20 108.27 2mfn s ILE 180 Ca 0.15 -1.90 -0.01 0.00 -0.26 0.00 0.00 60.65 58.63 2mfn s ILE 180 Cb -0.05 -1.96 -0.02 0.00 1.25 0.00 0.00 42.46 41.69 2mfn s ILE 180 CO 0.06 -0.57 -0.11 0.20 0.24 0.00 0.00 174.94 174.76 2mfn s ASN 181 N -3.04 4.17 -0.13 4.36 0.02 -1.26 -1.48 114.94 117.57 2mfn s ASN 181 Ca 0.21 -0.29 0.01 0.00 -1.02 0.00 0.00 52.86 51.77 2mfn s ASN 181 Cb 0.07 -1.65 0.02 0.00 0.02 0.00 0.00 41.25 39.72 2mfn s ASN 181 CO -0.00 0.17 -0.15 -0.47 0.02 0.00 0.00 177.10 176.67 2mfn s TYR 182 N 0.36 2.12 0.34 2.20 6.14 0.35 -4.93 117.35 123.92 2mfn s TYR 182 Ca -0.10 -1.12 -0.17 0.00 0.64 0.00 0.00 57.07 56.32 2mfn s TYR 182 Cb -0.16 -1.55 -0.09 0.00 0.42 0.00 0.00 41.96 40.59 2mfn s TYR 182 CO 0.05 -0.60 0.78 0.15 0.64 0.00 0.00 175.55 176.57 2mfn s LYS 183 N 1.29 4.07 0.00 4.97 -0.14 -1.26 0.13 119.74 128.80 2mfn s LYS 183 Ca 0.01 0.78 0.00 0.00 -1.36 0.00 0.00 55.97 55.39 2mfn s LYS 183 Cb -0.14 -2.42 0.00 0.00 -1.68 0.00 0.00 37.83 33.60 2mfn s LYS 183 CO -0.07 0.14 0.35 0.25 -0.76 0.00 0.00 175.35 175.25