#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 2.17 -0.12 0.99 1.43 -1.26 -5.07 118.68 116.82 2mfn s LEU 2 Ca 0.00 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 2mfn s LEU 2 Cb 0.00 -0.61 -0.01 0.00 0.03 0.00 0.00 46.19 45.60 2mfn s LEU 2 CO 0.00 0.03 1.01 -1.81 0.23 0.00 0.00 176.35 175.81 2mfn s ASP 3 N -1.14 7.23 0.38 2.29 1.01 -1.26 -4.38 116.67 120.81 2mfn s ASP 3 Ca 0.02 1.52 -0.24 0.00 0.71 0.00 0.00 52.55 54.56 2mfn s ASP 3 Cb -0.08 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 41.20 2mfn s ASP 3 CO 0.01 -0.47 0.97 -0.44 0.21 0.00 0.00 175.17 175.46 2mfn s SER 4 N 1.11 7.03 0.87 0.27 0.01 -1.26 -4.62 113.70 117.11 2mfn s SER 4 Ca 0.48 1.83 -0.12 0.00 1.31 0.00 0.00 55.95 59.45 2mfn s SER 4 Cb -0.18 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.57 2mfn s SER 4 CO 0.17 -0.29 0.96 -2.65 0.41 0.00 0.00 173.24 171.84 2mfn n PRO 5 N -0.06 -0.13 0.00 12.44 -0.01 -1.26 -4.72 135.00 141.26 2mfn n PRO 5 Ca 0.05 0.03 0.00 0.00 -0.01 0.00 0.00 63.50 63.57 2mfn n PRO 5 Cb 0.51 -2.24 0.00 0.00 -0.01 0.00 0.00 33.50 31.76 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 -3.62 0.00 -1.46 3.45 -2.24 -1.14 -4.88 114.28 104.40 2mfn n THR 6 Ca 0.11 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.73 2mfn n THR 6 Cb 0.52 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 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 1.53 3.66 3.38 0.00 -1.26 0.17 105.19 112.67 2mfn n GLY 7 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.09 2.23 -3.63 1.61 -0.00 -1.26 -4.18 117.46 110.13 2mfn n PHE 8 Ca -0.16 0.29 -0.14 0.00 -0.00 0.00 0.00 57.45 57.44 2mfn n PHE 8 Cb 0.55 -2.53 -0.07 0.00 -0.00 0.00 0.00 39.48 37.43 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 0.88 -0.69 -0.08 -2.13 -1.08 0.23 -4.98 116.67 108.83 2mfn s ASP 9 Ca 0.79 1.26 -0.02 0.00 -0.52 0.00 0.00 52.55 54.06 2mfn s ASP 9 Cb -0.70 1.26 -0.03 0.00 -1.46 0.00 0.00 42.92 41.99 2mfn s ASP 9 CO 0.38 -0.28 0.00 -0.44 0.52 0.00 0.00 175.17 175.36 2mfn s SER 10 N 0.15 5.25 0.24 -0.34 0.01 -1.26 -0.71 113.70 117.04 2mfn s SER 10 Ca -0.01 0.14 -0.04 0.00 1.31 0.00 0.00 55.95 57.34 2mfn s SER 10 Cb -0.04 -1.47 0.02 0.00 0.21 0.00 0.00 66.02 64.73 2mfn s SER 10 CO 0.02 0.37 0.40 -1.54 0.41 0.00 0.00 173.24 172.90 2mfn n SER 11 N 2.08 -1.14 -3.95 2.44 3.41 -0.97 -4.90 113.62 110.59 2mfn n SER 11 Ca -0.18 -2.18 -0.28 0.00 -0.26 0.00 0.00 58.87 55.97 2mfn n SER 11 Cb 0.54 2.01 -0.00 0.00 -0.26 0.00 0.00 64.21 66.49 2mfn n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2mfn n ASP 12 N -1.62 -1.89 -4.67 4.04 8.00 -1.26 -1.79 116.55 117.35 2mfn n ASP 12 Ca -0.02 -0.93 -0.42 0.00 0.71 0.00 0.00 54.79 54.13 2mfn n ASP 12 Cb 0.39 -3.35 -0.03 0.00 -0.02 0.00 0.00 41.12 38.11 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 -3.65 4.81 0.30 0.53 -1.09 -1.26 -1.24 121.20 119.60 2mfn s ILE 13 Ca 0.27 1.84 0.10 0.00 -2.23 0.00 0.00 60.65 60.62 2mfn s ILE 13 Cb -0.14 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.47 2mfn s ILE 13 CO 0.87 -0.02 -0.02 0.42 -1.23 0.00 0.00 174.94 174.95 2mfn s THR 14 N 2.33 2.97 0.07 2.92 -4.23 1.67 -4.74 115.64 116.62 2mfn s THR 14 Ca 0.42 -2.01 -0.34 0.00 -1.18 0.00 0.00 61.69 58.58 2mfn s THR 14 Cb -0.17 -2.74 -0.20 0.00 1.34 0.00 0.00 72.50 70.74 2mfn s THR 14 CO 0.13 -0.31 1.61 0.00 -0.54 0.00 0.00 174.62 175.51 2mfn h ALA 15 N 1.91 -1.04 -0.02 3.99 0.00 -1.81 -2.92 119.26 119.36 2mfn h ALA 15 Ca -0.43 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2mfn h ALA 15 Cb 1.25 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2mfn h ALA 15 CO 0.63 -1.08 -0.00 0.09 0.00 0.00 0.00 179.25 178.88 2mfn n ASN 16 N -5.54 1.66 -3.71 0.00 4.13 -1.26 -3.53 115.26 107.01 2mfn n ASN 16 Ca -0.15 -1.55 -0.12 0.00 1.68 0.00 0.00 54.58 54.44 2mfn n ASN 16 Cb 0.42 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.59 2mfn n ASN 16 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2mfn s SER 17 N -2.00 -0.18 -0.17 6.41 0.15 -1.10 -1.26 113.70 115.54 2mfn s SER 17 Ca 0.37 -0.16 -0.28 0.00 0.70 0.00 0.00 55.95 56.57 2mfn s SER 17 Cb 0.21 0.39 0.09 0.00 -1.71 0.00 0.00 66.02 65.00 2mfn s SER 17 CO 0.33 -0.67 0.81 0.72 1.20 0.00 0.00 173.24 175.63 2mfn s PHE 18 N -2.75 -0.61 0.18 3.44 -0.71 -0.88 0.47 117.98 117.11 2mfn s PHE 18 Ca -0.04 1.26 -0.05 0.00 -1.04 0.00 0.00 56.93 57.06 2mfn s PHE 18 Cb -0.00 0.37 -0.06 0.00 -1.21 0.00 0.00 43.02 42.12 2mfn s PHE 18 CO -0.04 -0.44 0.42 0.99 -1.34 0.00 0.00 175.22 174.80 2mfn s THR 19 N -0.53 5.13 -0.06 -4.49 2.01 -0.37 -2.24 115.64 115.08 2mfn s THR 19 Ca -0.04 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.05 2mfn s THR 19 Cb -0.02 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 2mfn s THR 19 CO 0.03 -0.04 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.98 2mfn s VAL 20 N -1.75 2.04 0.08 3.82 1.01 -0.15 -2.28 120.40 123.17 2mfn s VAL 20 Ca 0.42 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 61.40 2mfn s VAL 20 Cb -0.12 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2mfn s VAL 20 CO 0.25 0.57 -0.16 -1.00 0.00 0.00 0.00 175.10 174.76 2mfn s HIS 21 N -0.12 1.36 0.12 5.22 3.76 0.11 -1.65 115.29 124.10 2mfn s HIS 21 Ca -0.05 -0.44 -0.17 0.00 -0.15 0.00 0.00 55.06 54.25 2mfn s HIS 21 Cb -0.14 -0.76 0.04 0.00 1.11 0.00 0.00 32.58 32.82 2mfn s HIS 21 CO 0.04 0.09 0.42 1.67 -0.85 0.00 0.00 174.74 176.11 2mfn s TRP 22 N -1.21 -0.24 0.34 1.40 -2.14 -0.90 -0.60 118.94 115.60 2mfn s TRP 22 Ca 0.00 -0.04 -0.06 0.00 2.66 0.00 0.00 56.10 58.67 2mfn s TRP 22 Cb -0.10 0.28 -0.05 0.00 -3.10 0.00 0.00 33.47 30.50 2mfn s TRP 22 CO 0.03 -0.70 0.63 0.08 -2.66 0.00 0.00 176.95 174.33 2mfn s VAL 23 N -3.65 4.96 0.03 -0.66 1.01 0.45 -4.80 120.40 117.74 2mfn s VAL 23 Ca 0.02 0.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 2mfn s VAL 23 Cb 0.01 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 2mfn s VAL 23 CO -0.11 -0.45 0.66 0.00 0.00 0.00 0.00 175.10 175.21 2mfn s ALA 24 N -2.24 3.45 1.46 5.51 0.00 -1.26 -2.88 121.76 125.80 2mfn s ALA 24 Ca 0.46 0.14 -0.24 0.00 0.00 0.00 0.00 51.96 52.32 2mfn s ALA 24 Cb -0.10 -2.84 0.37 0.00 0.00 0.00 0.00 23.12 20.54 2mfn s ALA 24 CO 0.32 0.15 0.83 -0.35 0.00 0.00 0.00 175.76 176.71 2mfn n PRO 25 N 2.63 -4.76 -0.30 0.00 -0.04 -1.26 -4.91 135.00 126.36 2mfn n PRO 25 Ca -0.05 -1.39 0.07 0.00 -0.04 0.00 0.00 63.50 62.09 2mfn n PRO 25 Cb 0.51 -1.82 0.22 0.00 -0.04 0.00 0.00 33.50 32.36 2mfn n PRO 25 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2mfn n ARG 26 N -5.62 2.98 -4.29 0.54 1.74 -1.26 -4.98 116.66 105.77 2mfn n ARG 26 Ca 0.13 -2.36 -0.24 0.00 -0.77 0.00 0.00 57.85 54.61 2mfn n ARG 26 Cb 0.57 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.45 2mfn n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2mfn s ALA 27 N -1.45 3.12 0.18 7.54 0.00 -1.26 -5.06 121.76 124.82 2mfn s ALA 27 Ca 0.33 -1.59 -0.33 0.00 0.00 0.00 0.00 51.96 50.36 2mfn s ALA 27 Cb 0.20 -0.78 -0.13 0.00 0.00 0.00 0.00 23.12 22.41 2mfn s ALA 27 CO 0.17 0.33 1.61 -0.35 0.00 0.00 0.00 175.76 177.52 2mfn n PRO 28 N -0.62 2.31 -4.22 0.00 -0.04 -1.26 -4.94 135.00 126.23 2mfn n PRO 28 Ca -0.08 0.83 -0.13 0.00 -0.04 0.00 0.00 63.50 64.09 2mfn n PRO 28 Cb 0.58 -2.62 -0.10 0.00 -0.04 0.00 0.00 33.50 31.32 2mfn n PRO 28 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2mfn s ILE 29 N 0.91 0.11 -0.30 0.52 -4.36 -1.26 -4.72 121.20 112.10 2mfn s ILE 29 Ca 0.77 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.19 2mfn s ILE 29 Cb -0.63 -2.53 0.02 0.00 1.25 0.00 0.00 42.46 40.57 2mfn s ILE 29 CO 0.37 0.00 0.59 0.35 0.24 0.00 0.00 174.94 176.49 2mfn n THR 30 N -0.31 0.03 -0.23 8.37 -2.24 0.61 -4.86 114.28 115.64 2mfn n THR 30 Ca 0.02 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2mfn n THR 30 Cb 0.66 1.04 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 0.13 -0.16 3.19 3.38 0.00 -1.14 -4.60 105.19 105.99 2mfn n GLY 31 Ca 0.01 -1.74 -0.18 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 -1.50 1.29 -0.15 1.61 2.02 -1.11 -1.96 117.35 117.54 2mfn s TYR 32 Ca 0.00 -0.49 -0.03 0.00 -0.37 0.00 0.00 57.07 56.18 2mfn s TYR 32 Cb 0.00 -0.71 -0.02 0.00 -0.40 0.00 0.00 41.96 40.83 2mfn s TYR 32 CO 0.00 0.08 -0.06 0.42 -1.57 0.00 0.00 175.55 174.43 2mfn s ILE 33 N -1.52 3.73 -0.21 2.71 -1.09 0.82 -2.19 121.20 123.46 2mfn s ILE 33 Ca 0.01 -0.42 -0.03 0.00 -2.23 0.00 0.00 60.65 57.99 2mfn s ILE 33 Cb -0.09 -2.62 -0.00 0.00 -1.58 0.00 0.00 42.46 38.17 2mfn s ILE 33 CO 0.02 0.50 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.53 2mfn s ILE 34 N 0.35 3.11 -0.10 2.92 -1.09 0.60 -1.48 121.20 125.52 2mfn s ILE 34 Ca -0.05 -0.58 0.02 0.00 -2.23 0.00 0.00 60.65 57.80 2mfn s ILE 34 Cb -0.15 -2.39 -0.01 0.00 -1.58 0.00 0.00 42.46 38.33 2mfn s ILE 34 CO 0.03 0.45 -0.18 -0.13 -1.23 0.00 0.00 174.94 173.88 2mfn s ARG 35 N 1.38 3.10 -0.02 2.79 0.52 -0.66 0.22 118.95 126.28 2mfn s ARG 35 Ca 0.05 -0.77 0.07 0.00 -0.52 0.00 0.00 55.73 54.55 2mfn s ARG 35 Cb -0.14 -2.45 -0.02 0.00 0.52 0.00 0.00 34.95 32.87 2mfn s ARG 35 CO -0.05 0.26 -0.23 -1.58 0.02 0.00 0.00 175.30 173.72 2mfn s HIS 36 N 0.19 2.14 -0.19 -0.53 5.65 -1.05 -0.96 115.29 120.53 2mfn s HIS 36 Ca -0.11 -0.45 -0.29 0.00 0.25 0.00 0.00 55.06 54.47 2mfn s HIS 36 Cb -0.16 -1.38 0.13 0.00 -1.18 0.00 0.00 32.58 29.98 2mfn s HIS 36 CO 0.06 -0.07 1.01 -3.38 -0.65 0.00 0.00 174.74 171.71 2mfn s HIS 37 N -0.47 -0.40 0.72 3.88 -3.43 -0.73 -3.19 115.29 111.68 2mfn s HIS 37 Ca 0.07 0.77 -0.09 0.00 -0.80 0.00 0.00 55.06 55.00 2mfn s HIS 37 Cb -0.10 0.43 0.05 0.00 -1.43 0.00 0.00 32.58 31.53 2mfn s HIS 37 CO -0.00 -0.31 1.07 0.00 -2.00 0.00 0.00 174.74 173.50 2mfn s ALA 38 N -0.75 2.95 0.00 -1.38 0.00 -1.26 0.09 121.76 121.41 2mfn s ALA 38 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2mfn s ALA 38 Cb -0.02 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2mfn s ALA 38 CO -0.01 -1.30 0.00 0.39 0.00 0.00 0.00 175.76 174.85 2mfn n GLU 39 N -3.01 0.00 -0.02 0.00 1.02 -1.25 -4.59 120.64 112.78 2mfn n GLU 39 Ca 0.07 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.04 2mfn n GLU 39 Cb 0.59 -0.05 -0.07 0.00 -0.02 0.00 0.00 31.44 31.89 2mfn n GLU 39 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2mfn h HIS 40 N 0.00 1.08 -3.34 -0.32 3.86 -1.97 -3.39 115.15 111.07 2mfn h HIS 40 Ca 0.00 -0.48 -0.76 0.00 -1.16 0.00 0.00 60.37 57.97 2mfn h HIS 40 Cb 0.00 -0.17 -0.26 0.00 1.06 0.00 0.00 27.41 28.05 2mfn h HIS 40 CO 0.00 1.32 -0.16 -1.54 0.86 0.00 0.00 177.93 178.40 2mfn s SER 41 N -7.12 6.24 -0.05 2.45 1.04 -1.26 -5.02 113.70 109.99 2mfn s SER 41 Ca -0.10 -2.10 -0.04 0.00 0.48 0.00 0.00 55.95 54.18 2mfn s SER 41 Cb 0.09 -2.17 0.01 0.00 0.10 0.00 0.00 66.02 64.05 2mfn s SER 41 CO 0.91 -0.74 0.12 0.54 0.98 0.00 0.00 173.24 175.05 2mfn s VAL 42 N 1.10 0.00 0.00 5.02 0.11 -1.26 -4.49 120.40 120.88 2mfn s VAL 42 Ca 0.08 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 2mfn s VAL 42 Cb -0.24 -0.18 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 2mfn s VAL 42 CO -0.01 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.36 2mfn n GLY 43 N 2.98 1.62 3.09 6.54 0.00 -1.26 -4.91 105.19 113.24 2mfn n GLY 43 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 2.58 -0.65 1.61 0.52 -1.26 -5.05 118.95 116.70 2mfn s ARG 44 Ca 0.00 -1.11 -0.26 0.00 -0.52 0.00 0.00 55.73 53.84 2mfn s ARG 44 Cb 0.00 -2.74 -0.09 0.00 0.52 0.00 0.00 34.95 32.64 2mfn s ARG 44 CO 0.00 -0.40 2.33 -2.14 0.02 0.00 0.00 175.30 175.10 2mfn s PRO 45 N 1.19 1.98 0.59 3.54 0.02 -1.26 -4.93 135.00 136.12 2mfn s PRO 45 Ca -0.03 0.86 -0.16 0.00 0.02 0.00 0.00 61.00 61.70 2mfn s PRO 45 Cb -0.17 -4.68 -0.04 0.00 0.02 0.00 0.00 34.50 29.63 2mfn s PRO 45 CO -0.09 -3.69 1.04 1.03 -0.33 0.00 0.00 177.00 174.96 2mfn s ARG 46 N 8.31 3.41 -0.28 5.54 0.52 -1.19 -4.92 118.95 130.34 2mfn s ARG 46 Ca 0.91 1.14 -0.03 0.00 -0.52 0.00 0.00 55.73 57.23 2mfn s ARG 46 Cb -0.14 -2.05 0.03 0.00 0.52 0.00 0.00 34.95 33.31 2mfn s ARG 46 CO 0.17 -0.73 0.00 -0.65 0.02 0.00 0.00 175.30 174.11 2mfn s GLN 47 N -4.14 2.79 -0.19 3.54 -0.21 -1.26 -2.54 119.66 117.65 2mfn s GLN 47 Ca 0.62 -1.03 -0.02 0.00 0.02 0.00 0.00 55.36 54.96 2mfn s GLN 47 Cb -0.15 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.69 2mfn s GLN 47 CO 0.37 -0.48 -0.09 -0.51 -2.12 0.00 0.00 175.29 172.46 2mfn s ASP 48 N 1.36 4.05 -0.00 5.90 1.01 0.59 -4.98 116.67 124.60 2mfn s ASP 48 Ca -0.01 -0.40 0.02 0.00 0.71 0.00 0.00 52.55 52.87 2mfn s ASP 48 Cb -0.18 -1.66 -0.04 0.00 1.01 0.00 0.00 42.92 42.06 2mfn s ASP 48 CO -0.01 0.04 -0.02 -0.13 0.21 0.00 0.00 175.17 175.26 2mfn s ARG 49 N 1.08 2.72 0.09 8.23 1.81 -1.26 0.22 118.95 131.85 2mfn s ARG 49 Ca 0.00 -0.64 0.07 0.00 -1.72 0.00 0.00 55.73 53.44 2mfn s ARG 49 Cb -0.15 -2.63 -0.03 0.00 -0.45 0.00 0.00 34.95 31.70 2mfn s ARG 49 CO -0.02 0.62 -0.17 0.14 -0.68 0.00 0.00 175.30 175.19 2mfn s VAL 50 N -1.06 1.39 0.85 3.52 -7.23 -0.93 -4.85 120.40 112.09 2mfn s VAL 50 Ca 0.19 -1.41 -0.10 0.00 -1.81 0.00 0.00 61.98 58.84 2mfn s VAL 50 Cb -0.11 -1.29 0.11 0.00 0.56 0.00 0.00 36.38 35.64 2mfn s VAL 50 CO 0.09 -0.15 1.12 -2.16 -0.31 0.00 0.00 175.10 173.70 2mfn s PRO 51 N -1.81 1.54 0.36 4.82 0.05 -1.26 -2.74 135.00 135.96 2mfn s PRO 51 Ca 0.02 1.38 0.04 0.00 0.05 0.00 0.00 61.00 62.49 2mfn s PRO 51 Cb -0.10 -1.80 0.71 0.00 0.05 0.00 0.00 34.50 33.36 2mfn s PRO 51 CO 0.03 -2.21 1.99 -1.00 0.05 0.00 0.00 177.00 175.86 2mfn h PRO 52 N -1.56 0.75 0.00 0.56 0.13 -1.89 -1.37 132.00 128.62 2mfn h PRO 52 Ca -0.43 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2mfn h PRO 52 Cb 1.25 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2mfn h PRO 52 CO 0.46 0.50 0.00 -1.13 -0.23 0.00 0.00 178.00 177.60 2mfn n SER 53 N -4.46 0.29 -4.56 1.44 3.41 -1.26 -4.58 113.62 103.90 2mfn n SER 53 Ca 0.08 0.57 -0.37 0.00 -0.26 0.00 0.00 58.87 58.89 2mfn n SER 53 Cb 0.13 -0.63 -0.11 0.00 -0.26 0.00 0.00 64.21 63.33 2mfn n SER 53 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2mfn s ARG 54 N -3.14 3.89 0.00 4.33 1.81 -0.52 -4.92 118.95 120.40 2mfn s ARG 54 Ca 0.06 -0.36 0.14 0.00 -1.72 0.00 0.00 55.73 53.85 2mfn s ARG 54 Cb 0.10 -3.53 0.11 0.00 -0.45 0.00 0.00 34.95 31.17 2mfn s ARG 54 CO 0.33 -0.13 0.93 0.27 -0.68 0.00 0.00 175.30 176.02 2mfn n ASN 55 N 4.84 2.13 -4.08 0.23 6.94 -1.26 -4.72 115.26 119.33 2mfn n ASN 55 Ca -0.15 -1.56 -0.21 0.00 -0.02 0.00 0.00 54.58 52.64 2mfn n ASN 55 Cb 0.52 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.79 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 -1.13 1.47 -0.01 0.53 1.04 -1.26 -2.13 113.70 112.22 2mfn s SER 56 Ca 0.16 -0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.40 2mfn s SER 56 Cb 0.11 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 2mfn s SER 56 CO 0.17 0.15 -0.12 -0.51 0.98 0.00 0.00 173.24 173.91 2mfn s ILE 57 N -0.29 0.95 -0.15 -1.02 2.07 -0.66 -4.95 121.20 117.15 2mfn s ILE 57 Ca 0.05 -0.51 -0.05 0.00 -1.41 0.00 0.00 60.65 58.73 2mfn s ILE 57 Cb -0.05 -0.79 -0.03 0.00 0.13 0.00 0.00 42.46 41.72 2mfn s ILE 57 CO -0.00 0.27 0.00 -0.89 -1.91 0.00 0.00 174.94 172.41 2mfn s THR 58 N -0.27 4.26 0.07 4.00 2.01 -1.26 -0.97 115.64 123.47 2mfn s THR 58 Ca 0.04 -0.23 0.06 0.00 0.31 0.00 0.00 61.69 61.87 2mfn s THR 58 Cb -0.05 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 2mfn s THR 58 CO -0.00 0.50 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.58 2mfn s LEU 59 N 0.17 3.10 0.38 4.42 1.43 -0.95 -4.96 118.68 122.27 2mfn s LEU 59 Ca 0.01 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 2mfn s LEU 59 Cb -0.13 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 2mfn s LEU 59 CO 0.02 0.21 0.21 0.42 0.23 0.00 0.00 176.35 177.44 2mfn s THR 60 N -1.15 0.26 -1.41 5.49 -4.23 -1.26 -2.08 115.64 111.25 2mfn s THR 60 Ca 0.20 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.61 2mfn s THR 60 Cb -0.11 -2.38 0.04 0.00 1.34 0.00 0.00 72.50 71.38 2mfn s THR 60 CO 0.12 0.00 1.10 0.59 -0.54 0.00 0.00 174.62 175.89 2mfn n ASN 61 N -1.53 -5.53 -4.77 3.99 3.02 -0.81 -4.90 115.26 104.73 2mfn n ASN 61 Ca 0.01 -0.64 -0.25 0.00 -0.03 0.00 0.00 54.58 53.67 2mfn n ASN 61 Cb 0.63 -4.61 -0.06 0.00 -0.61 0.00 0.00 39.78 35.14 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 -7.25 3.66 -0.09 3.41 1.43 -0.39 -5.05 118.68 114.40 2mfn s LEU 62 Ca 0.58 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 53.12 2mfn s LEU 62 Cb -0.27 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 2mfn s LEU 62 CO 0.77 0.03 1.51 0.20 0.23 0.00 0.00 176.35 179.09 2mfn s ASN 63 N -3.34 6.77 0.18 2.29 0.02 -1.26 -4.38 114.94 115.22 2mfn s ASN 63 Ca 0.31 2.04 -0.32 0.00 -1.02 0.00 0.00 52.86 53.87 2mfn s ASN 63 Cb -0.09 -2.54 -0.11 0.00 0.02 0.00 0.00 41.25 38.53 2mfn s ASN 63 CO 0.23 -0.86 1.68 -2.16 0.02 0.00 0.00 177.10 176.01 2mfn s PRO 64 N 3.78 4.15 -0.20 -0.60 0.05 -1.23 -3.49 135.00 137.47 2mfn s PRO 64 Ca 0.66 2.52 -0.01 0.00 0.05 0.00 0.00 61.00 64.23 2mfn s PRO 64 Cb -0.29 -3.16 -0.01 0.00 0.05 0.00 0.00 34.50 31.08 2mfn s PRO 64 CO 0.24 -0.72 0.17 0.41 0.05 0.00 0.00 177.00 177.16 2mfn n GLY 65 N 3.94 0.44 3.14 0.56 0.00 1.58 -4.67 105.19 110.18 2mfn n GLY 65 Ca 0.15 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.07 0.10 -0.25 2.61 2.01 -1.01 -4.90 115.64 111.13 2mfn s THR 66 Ca 0.08 -0.79 -0.21 0.00 0.31 0.00 0.00 61.69 61.08 2mfn s THR 66 Cb -0.01 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 2mfn s THR 66 CO 0.14 -0.44 0.67 -1.83 -0.69 0.00 0.00 174.62 172.47 2mfn s GLU 67 N -1.89 4.12 -0.06 4.92 -1.05 -1.26 0.81 118.70 124.30 2mfn s GLU 67 Ca -0.11 0.62 0.03 0.00 -0.15 0.00 0.00 54.97 55.36 2mfn s GLU 67 Cb -0.05 -3.65 -0.03 0.00 -0.44 0.00 0.00 34.13 29.97 2mfn s GLU 67 CO -0.01 -0.43 -0.11 0.71 0.95 0.00 0.00 175.26 176.37 2mfn s TYR 68 N 2.57 2.79 -0.26 4.83 2.02 0.18 -3.87 117.35 125.60 2mfn s TYR 68 Ca 0.28 -0.09 -0.10 0.00 -0.37 0.00 0.00 57.07 56.79 2mfn s TYR 68 Cb -0.15 -1.66 -0.05 0.00 -0.40 0.00 0.00 41.96 39.70 2mfn s TYR 68 CO 0.08 0.24 0.16 0.08 -1.57 0.00 0.00 175.55 174.55 2mfn s VAL 69 N -0.76 5.16 -0.17 0.71 1.01 0.11 -0.06 120.40 126.40 2mfn s VAL 69 Ca 0.12 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2mfn s VAL 69 Cb -0.11 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2mfn s VAL 69 CO 0.01 0.29 -0.19 -0.69 0.00 0.00 0.00 175.10 174.52 2mfn s VAL 70 N 1.55 2.22 -0.10 2.92 1.01 -0.67 -1.77 120.40 125.56 2mfn s VAL 70 Ca 0.07 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 2mfn s VAL 70 Cb -0.15 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2mfn s VAL 70 CO 0.08 0.53 0.13 -0.94 0.00 0.00 0.00 175.10 174.90 2mfn s SER 71 N 1.16 6.24 -0.18 3.32 1.04 -0.14 -2.36 113.70 122.78 2mfn s SER 71 Ca 0.01 0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.86 2mfn s SER 71 Cb -0.14 -1.98 0.02 0.00 0.10 0.00 0.00 66.02 64.02 2mfn s SER 71 CO -0.09 0.38 -0.20 -0.63 0.98 0.00 0.00 173.24 173.69 2mfn s ILE 72 N -1.06 2.10 -0.12 -1.02 -1.09 0.40 -1.65 121.20 118.77 2mfn s ILE 72 Ca 0.17 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.68 2mfn s ILE 72 Cb -0.12 -1.88 -0.01 0.00 -1.58 0.00 0.00 42.46 38.87 2mfn s ILE 72 CO 0.06 0.54 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.49 2mfn s ILE 73 N 1.30 2.58 -0.01 2.92 -1.09 -0.55 -0.66 121.20 125.69 2mfn s ILE 73 Ca 0.05 -0.83 -0.15 0.00 -2.23 0.00 0.00 60.65 57.49 2mfn s ILE 73 Cb -0.13 -2.04 -0.06 0.00 -1.58 0.00 0.00 42.46 38.65 2mfn s ILE 73 CO -0.13 0.54 0.40 0.00 -1.23 0.00 0.00 174.94 174.53 2mfn s ALA 74 N 0.34 3.69 -0.01 9.38 0.00 -1.26 -0.13 121.76 133.77 2mfn s ALA 74 Ca -0.15 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 51.62 2mfn s ALA 74 Cb -0.17 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.55 2mfn s ALA 74 CO 0.07 0.46 -0.13 0.14 0.00 0.00 0.00 175.76 176.30 2mfn s VAL 75 N -0.98 1.02 -0.27 0.00 -7.23 -0.83 -0.30 120.40 111.81 2mfn s VAL 75 Ca 0.24 -0.55 0.09 0.00 -1.81 0.00 0.00 61.98 59.95 2mfn s VAL 75 Cb -0.16 -0.86 0.45 0.00 0.56 0.00 0.00 36.38 36.37 2mfn s VAL 75 CO 0.13 0.29 1.19 -3.20 -0.31 0.00 0.00 175.10 173.20 2mfn n ASN 76 N 2.82 3.97 0.00 4.85 5.15 0.65 0.22 115.26 132.93 2mfn n ASN 76 Ca -0.15 -3.65 0.00 0.00 -0.60 0.00 0.00 54.58 50.18 2mfn n ASN 76 Cb 0.55 -0.39 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 2mfn n ASN 76 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2mfn n GLY 77 N -0.77 1.19 0.55 8.20 0.00 -1.26 -4.04 105.19 109.05 2mfn n GLY 77 Ca 0.36 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.89 2mfn n GLY 77 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2mfn n ARG 78 N 0.00 1.74 -5.12 1.61 1.85 -1.26 -4.86 116.66 110.63 2mfn n ARG 78 Ca 0.00 -1.10 -0.31 0.00 -1.00 0.00 0.00 57.85 55.44 2mfn n ARG 78 Cb 0.00 -1.48 -0.15 0.00 -1.05 0.00 0.00 32.46 29.78 2mfn n ARG 78 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2mfn s GLU 79 N -2.02 2.05 -0.03 2.89 2.02 -1.26 -5.13 118.70 117.23 2mfn s GLU 79 Ca 0.36 -0.97 0.07 0.00 0.02 0.00 0.00 54.97 54.46 2mfn s GLU 79 Cb 0.21 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 32.36 2mfn s GLU 79 CO 0.34 0.55 -0.26 -1.21 0.02 0.00 0.00 175.26 174.70 2mfn s GLU 80 N -0.85 2.21 0.61 1.61 2.02 -1.26 -0.25 118.70 122.79 2mfn s GLU 80 Ca 0.11 -0.92 -0.08 0.00 0.02 0.00 0.00 54.97 54.10 2mfn s GLU 80 Cb -0.10 -2.06 -0.00 0.00 0.10 0.00 0.00 34.13 32.07 2mfn s GLU 80 CO 0.00 0.51 0.95 -1.54 0.02 0.00 0.00 175.26 175.21 2mfn s SER 81 N -0.49 5.74 0.27 -0.19 1.04 0.58 -4.74 113.70 115.91 2mfn s SER 81 Ca 0.06 0.96 -0.30 0.00 0.48 0.00 0.00 55.95 57.15 2mfn s SER 81 Cb -0.11 -1.95 -0.12 0.00 0.10 0.00 0.00 66.02 63.93 2mfn s SER 81 CO 0.00 -1.04 1.51 -2.65 0.98 0.00 0.00 173.24 172.04 2mfn n PRO 82 N -2.67 2.42 -1.70 4.02 -0.01 -1.26 -4.43 135.00 131.36 2mfn n PRO 82 Ca 0.05 0.86 -0.44 0.00 -0.01 0.00 0.00 63.50 63.96 2mfn n PRO 82 Cb 0.57 -2.59 -0.03 0.00 -0.01 0.00 0.00 33.50 31.44 2mfn n PRO 82 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 2mfn n PRO 83 N 2.07 2.50 -3.78 0.52 -0.04 -1.26 -4.65 135.00 130.35 2mfn n PRO 83 Ca 0.10 0.90 -0.36 0.00 -0.04 0.00 0.00 63.50 64.10 2mfn n PRO 83 Cb 0.35 -2.70 -0.13 0.00 -0.04 0.00 0.00 33.50 30.98 2mfn n PRO 83 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2mfn s LEU 84 N 0.81 3.33 -0.05 1.53 2.96 0.16 -4.96 118.68 122.47 2mfn s LEU 84 Ca 0.75 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.45 2mfn s LEU 84 Cb -0.57 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.23 2mfn s LEU 84 CO 0.37 -0.03 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.56 2mfn s ILE 85 N 1.59 1.50 0.17 6.68 1.01 -1.26 0.15 121.20 131.04 2mfn s ILE 85 Ca 0.06 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.98 2mfn s ILE 85 Cb -0.15 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 2mfn s ILE 85 CO 0.02 0.43 0.01 -0.83 0.00 0.00 0.00 174.94 174.58 2mfn s GLY 86 N 0.12 1.22 -0.12 6.18 0.00 -0.99 -5.01 107.32 108.72 2mfn s GLY 86 Ca -0.06 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.07 2mfn s GLY 86 CO 0.03 -1.51 -0.14 1.20 0.00 0.00 0.00 173.10 172.68 2mfn s GLN 87 N -3.94 3.25 -0.10 2.90 -0.21 -1.26 -1.68 119.66 118.63 2mfn s GLN 87 Ca 0.25 -0.71 0.03 0.00 0.02 0.00 0.00 55.36 54.95 2mfn s GLN 87 Cb 0.06 -2.57 0.01 0.00 1.00 0.00 0.00 33.01 31.51 2mfn s GLN 87 CO 0.04 0.26 -0.18 -1.14 -2.12 0.00 0.00 175.29 172.15 2mfn s GLN 88 N 0.23 2.44 -0.18 2.91 -0.44 0.91 -4.94 119.66 120.59 2mfn s GLN 88 Ca -0.09 -0.66 -0.09 0.00 -2.50 0.00 0.00 55.36 52.02 2mfn s GLN 88 Cb -0.16 -1.95 -0.05 0.00 -1.64 0.00 0.00 33.01 29.22 2mfn s GLN 88 CO 0.05 0.05 0.10 0.00 0.50 0.00 0.00 175.29 176.00 2mfn s ALA 89 N 0.65 3.61 0.21 1.58 0.00 -1.26 0.48 121.76 127.02 2mfn s ALA 89 Ca -0.13 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 2mfn s ALA 89 Cb -0.16 -2.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.84 2mfn s ALA 89 CO 0.04 0.24 1.13 0.95 0.00 0.00 0.00 175.76 178.11 2mfn s THR 90 N 0.15 3.69 1.03 0.00 -4.23 0.24 -4.86 115.64 111.66 2mfn s THR 90 Ca 0.07 1.50 -0.21 0.00 -1.18 0.00 0.00 61.69 61.88 2mfn s THR 90 Cb -0.12 -3.96 -0.06 0.00 1.34 0.00 0.00 72.50 69.71 2mfn s THR 90 CO -0.00 0.28 -0.64 0.52 -0.54 0.00 0.00 174.62 174.24 2mfn n VAL 91 N 2.11 0.00 -4.88 2.29 0.31 -1.23 -2.27 118.33 114.66 2mfn n VAL 91 Ca 0.02 -0.22 -0.31 0.00 -0.01 0.00 0.00 64.34 63.83 2mfn n VAL 91 Cb 0.45 -0.29 -0.14 0.00 -0.91 0.00 0.00 33.84 32.96 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 -1.42 3.40 0.25 4.52 0.01 -1.26 0.45 113.70 119.65 2mfn s SER 92 Ca 0.46 -0.50 -0.06 0.00 1.31 0.00 0.00 55.95 57.16 2mfn s SER 92 Cb -0.06 -0.43 0.27 0.00 0.21 0.00 0.00 66.02 66.01 2mfn s SER 92 CO 0.69 0.27 1.93 0.44 0.41 0.00 0.00 173.24 176.98 2mfn h ASP 93 N 4.84 1.15 -3.78 2.44 3.32 -1.94 -3.40 116.42 119.06 2mfn h ASP 93 Ca -0.46 -0.03 -0.52 0.00 0.02 0.00 0.00 57.03 56.03 2mfn h ASP 93 Cb 1.14 -0.29 0.06 0.00 0.22 0.00 0.00 39.33 40.47 2mfn h ASP 93 CO 0.46 0.83 0.66 -0.63 -1.72 0.00 0.00 179.24 178.84 2mfn s ILE 94 N -6.10 2.72 0.91 0.35 1.01 -1.26 -4.81 121.20 114.02 2mfn s ILE 94 Ca -0.13 0.70 -0.11 0.00 0.00 0.00 0.00 60.65 61.11 2mfn s ILE 94 Cb 0.18 -3.44 0.13 0.00 0.01 0.00 0.00 42.46 39.34 2mfn s ILE 94 CO 0.82 0.15 1.08 -2.65 0.00 0.00 0.00 174.94 174.35 2mfn n PRO 95 N 1.12 -0.40 -4.65 2.79 -0.01 -1.26 -4.86 135.00 127.74 2mfn n PRO 95 Ca 0.01 -0.05 -0.29 0.00 -0.01 0.00 0.00 63.50 63.16 2mfn n PRO 95 Cb 0.42 -2.33 -0.10 0.00 -0.01 0.00 0.00 33.50 31.47 2mfn n PRO 95 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 175.50 176.52 2mfn s ARG 96 N -4.49 2.01 -1.45 -0.52 1.81 -1.21 -4.75 118.95 110.35 2mfn s ARG 96 Ca 0.67 -2.18 -0.12 0.00 -1.72 0.00 0.00 55.73 52.38 2mfn s ARG 96 Cb -0.23 -1.55 0.05 0.00 -0.45 0.00 0.00 34.95 32.76 2mfn s ARG 96 CO 0.58 -0.15 1.09 -0.25 -0.68 0.00 0.00 175.30 175.89 2mfn n ASP 97 N -1.04 -5.63 -4.56 0.23 8.00 -1.26 -0.21 116.55 112.08 2mfn n ASP 97 Ca -0.09 -0.66 -0.33 0.00 0.71 0.00 0.00 54.79 54.42 2mfn n ASP 97 Cb 0.67 -4.45 -0.04 0.00 -0.02 0.00 0.00 41.12 37.28 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 -7.31 3.25 0.24 0.64 2.96 -1.25 -3.93 118.68 113.28 2mfn s LEU 98 Ca 0.63 -0.56 -0.09 0.00 -0.22 0.00 0.00 54.13 53.89 2mfn s LEU 98 Cb -0.30 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.82 2mfn s LEU 98 CO 0.78 -2.40 0.39 -1.61 -1.32 0.00 0.00 176.35 172.19 2mfn s GLU 99 N 6.59 1.49 -0.10 1.98 2.02 -1.09 -4.84 118.70 124.75 2mfn s GLU 99 Ca 0.63 -1.39 -0.04 0.00 0.02 0.00 0.00 54.97 54.19 2mfn s GLU 99 Cb -0.07 0.42 -0.04 0.00 0.10 0.00 0.00 34.13 34.54 2mfn s GLU 99 CO 0.04 -0.59 0.05 0.08 0.02 0.00 0.00 175.26 174.85 2mfn s VAL 100 N -3.97 4.70 -0.29 2.63 1.01 -1.26 -1.80 120.40 121.41 2mfn s VAL 100 Ca 0.27 -0.10 0.13 0.00 0.00 0.00 0.00 61.98 62.29 2mfn s VAL 100 Cb 0.01 -3.01 -0.18 0.00 0.00 0.00 0.00 36.38 33.21 2mfn s VAL 100 CO 0.11 0.60 0.42 2.30 0.00 0.00 0.00 175.10 178.53 2mfn n ILE 101 N 2.16 0.00 -3.94 2.22 -5.35 -1.00 -4.95 119.36 108.50 2mfn n ILE 101 Ca -0.19 -0.25 -0.15 0.00 -0.27 0.00 0.00 62.75 61.88 2mfn n ILE 101 Cb 0.54 0.56 -0.15 0.00 -1.74 0.00 0.00 39.64 38.85 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 -2.62 0.22 -0.37 -1.28 0.00 -1.26 -5.02 121.76 111.43 2mfn s ALA 102 Ca -0.00 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.02 2mfn s ALA 102 Cb 0.09 -0.18 0.11 0.00 0.00 0.00 0.00 23.12 23.14 2mfn s ALA 102 CO 0.55 -0.02 0.12 -1.54 0.00 0.00 0.00 175.76 174.88 2mfn s SER 103 N 0.51 4.99 0.52 0.00 1.04 -1.26 -1.85 113.70 117.64 2mfn s SER 103 Ca -0.05 -2.11 -0.13 0.00 0.48 0.00 0.00 55.95 54.14 2mfn s SER 103 Cb -0.07 -1.72 -0.06 0.00 0.10 0.00 0.00 66.02 64.27 2mfn s SER 103 CO -0.01 -0.45 0.94 0.42 0.98 0.00 0.00 173.24 175.11 2mfn s THR 104 N 0.99 4.67 0.27 2.02 -4.23 0.12 -4.95 115.64 114.53 2mfn s THR 104 Ca 0.10 0.89 -0.00 0.00 -1.18 0.00 0.00 61.69 61.50 2mfn s THR 104 Cb -0.21 -3.78 0.26 0.00 1.34 0.00 0.00 72.50 70.11 2mfn s THR 104 CO -0.06 -0.82 1.70 -0.65 -0.54 0.00 0.00 174.62 174.25 2mfn h PRO 105 N 0.53 0.36 0.00 3.99 0.10 -2.01 -2.76 132.00 132.22 2mfn h PRO 105 Ca -0.46 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.62 2mfn h PRO 105 Cb 1.19 -0.08 0.00 0.00 0.10 0.00 0.00 31.00 32.21 2mfn h PRO 105 CO 0.62 0.24 -0.09 0.25 0.10 0.00 0.00 178.00 179.12 2mfn n THR 106 N -5.07 1.37 -3.82 -1.15 -2.24 -1.26 -4.43 114.28 97.68 2mfn n THR 106 Ca 0.18 -1.62 -0.09 0.00 -2.27 0.00 0.00 64.05 60.25 2mfn n THR 106 Cb 0.55 0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.20 -0.18 0.03 3.42 1.04 -1.04 -2.30 113.70 112.48 2mfn s SER 107 Ca 0.21 -0.62 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 2mfn s SER 107 Cb 0.18 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.84 2mfn s SER 107 CO 0.02 -1.05 -0.01 -0.76 0.98 0.00 0.00 173.24 172.42 2mfn s LEU 108 N -2.91 2.24 -0.26 2.42 1.43 0.35 0.13 118.68 122.09 2mfn s LEU 108 Ca 0.13 -0.67 -0.08 0.00 -1.03 0.00 0.00 54.13 52.47 2mfn s LEU 108 Cb -0.00 0.23 -0.03 0.00 0.03 0.00 0.00 46.19 46.41 2mfn s LEU 108 CO -0.00 -0.44 0.09 -0.22 0.23 0.00 0.00 176.35 176.01 2mfn s LEU 109 N -2.07 3.55 0.02 1.79 0.20 -0.77 0.33 118.68 121.72 2mfn s LEU 109 Ca -0.06 -0.17 0.01 0.00 0.69 0.00 0.00 54.13 54.60 2mfn s LEU 109 Cb -0.02 -1.96 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 2mfn s LEU 109 CO -0.05 -0.04 0.03 0.27 -0.29 0.00 0.00 176.35 176.28 2mfn s ILE 110 N 1.64 4.35 0.00 6.68 -4.36 0.10 -2.37 121.20 127.25 2mfn s ILE 110 Ca 0.07 -0.60 -0.07 0.00 -0.26 0.00 0.00 60.65 59.78 2mfn s ILE 110 Cb -0.15 -2.98 0.00 0.00 1.25 0.00 0.00 42.46 40.57 2mfn s ILE 110 CO 0.05 0.32 0.14 -0.94 0.24 0.00 0.00 174.94 174.75 2mfn s SER 111 N -1.77 0.02 0.04 4.36 1.04 -0.74 -0.61 113.70 116.05 2mfn s SER 111 Ca 0.22 -0.21 -0.14 0.00 0.48 0.00 0.00 55.95 56.31 2mfn s SER 111 Cb -0.12 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.23 2mfn s SER 111 CO 0.13 -0.37 0.30 -1.66 0.98 0.00 0.00 173.24 172.62 2mfn s TRP 112 N -1.39 -0.10 0.15 5.02 -2.14 -1.01 -2.67 118.94 116.79 2mfn s TRP 112 Ca -0.15 -0.04 -0.30 0.00 2.66 0.00 0.00 56.10 58.27 2mfn s TRP 112 Cb -0.08 0.09 -0.07 0.00 -3.10 0.00 0.00 33.47 30.32 2mfn s TRP 112 CO 0.02 -0.50 1.09 -1.21 -2.66 0.00 0.00 176.95 173.69 2mfn s GLU 113 N -2.55 4.58 0.16 3.25 0.41 0.71 -4.74 118.70 120.52 2mfn s GLU 113 Ca -0.05 1.68 -0.32 0.00 -0.41 0.00 0.00 54.97 55.87 2mfn s GLU 113 Cb -0.01 -3.30 -0.12 0.00 -1.78 0.00 0.00 34.13 28.92 2mfn s GLU 113 CO -0.03 0.04 1.75 -2.30 -0.49 0.00 0.00 175.26 174.22 2mfn n PRO 114 N 2.68 2.65 -0.20 0.39 -0.01 -1.26 -3.33 135.00 135.93 2mfn n PRO 114 Ca 0.04 0.96 -0.25 0.00 -0.01 0.00 0.00 63.50 64.23 2mfn n PRO 114 Cb 0.47 -2.81 0.25 0.00 -0.01 0.00 0.00 33.50 31.39 2mfn n PRO 114 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 2mfn n PRO 115 N 4.57 -4.41 -0.39 0.52 -0.04 -1.26 -4.92 135.00 129.07 2mfn n PRO 115 Ca 0.17 -1.22 0.12 0.00 -0.04 0.00 0.00 63.50 62.53 2mfn n PRO 115 Cb 0.34 -1.58 0.33 0.00 -0.04 0.00 0.00 33.50 32.55 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 -5.36 2.41 -2.28 0.55 0.00 -1.26 -4.94 120.51 109.63 2mfn n ALA 116 Ca -0.16 -1.32 -0.16 0.00 0.00 0.00 0.00 53.44 51.80 2mfn n ALA 116 Cb 0.50 -0.93 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 2mfn n ALA 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2mfn s VAL 117 N -1.05 1.35 0.27 0.00 -7.23 -1.26 -4.46 120.40 108.03 2mfn s VAL 117 Ca 0.49 -2.11 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 2mfn s VAL 117 Cb 0.26 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 35.19 2mfn s VAL 117 CO 0.33 -0.70 1.19 -0.94 -0.31 0.00 0.00 175.10 174.67 2mfn s SER 118 N -3.22 7.08 -0.03 4.85 1.04 -1.26 -5.03 113.70 117.13 2mfn s SER 118 Ca 0.19 2.39 0.03 0.00 0.48 0.00 0.00 55.95 59.03 2mfn s SER 118 Cb 0.01 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2mfn s SER 118 CO 0.03 -0.32 -0.12 -0.69 0.98 0.00 0.00 173.24 173.12 2mfn s VAL 119 N -0.87 1.01 -0.04 5.02 1.01 -1.26 -4.74 120.40 120.54 2mfn s VAL 119 Ca 0.48 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 2mfn s VAL 119 Cb -0.35 -0.89 -0.19 0.00 0.00 0.00 0.00 36.38 34.96 2mfn s VAL 119 CO 0.43 0.30 1.12 0.03 0.00 0.00 0.00 175.10 176.99 2mfn h ARG 120 N 6.31 -0.08 -2.42 2.72 2.47 -0.74 -3.43 114.38 119.20 2mfn h ARG 120 Ca -0.33 0.01 0.17 0.00 -1.26 0.00 0.00 59.98 58.56 2mfn h ARG 120 Cb 1.17 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 29.45 2mfn h ARG 120 CO 0.48 0.42 0.54 1.52 0.56 0.00 0.00 179.97 183.49 2mfn s TYR 121 N -3.90 -0.02 -0.02 3.04 1.13 -1.12 -2.45 117.35 114.00 2mfn s TYR 121 Ca -0.15 -0.34 0.08 0.00 -1.41 0.00 0.00 57.07 55.24 2mfn s TYR 121 Cb 0.01 0.67 -0.02 0.00 -1.10 0.00 0.00 41.96 41.52 2mfn s TYR 121 CO 0.62 -0.88 -0.26 0.71 -2.51 0.00 0.00 175.55 173.23 2mfn s TYR 122 N -2.68 2.32 -0.20 -3.49 1.51 -1.03 0.23 117.35 114.02 2mfn s TYR 122 Ca 0.17 -0.47 -0.10 0.00 -1.01 0.00 0.00 57.07 55.66 2mfn s TYR 122 Cb -0.02 -1.50 -0.05 0.00 -0.11 0.00 0.00 41.96 40.28 2mfn s TYR 122 CO 0.04 -0.06 0.12 0.50 -1.11 0.00 0.00 175.55 175.04 2mfn s ARG 123 N -0.55 4.16 0.13 -0.62 3.52 0.41 -1.14 118.95 124.87 2mfn s ARG 123 Ca 0.08 -0.24 0.09 0.00 -0.13 0.00 0.00 55.73 55.54 2mfn s ARG 123 Cb -0.10 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 2mfn s ARG 123 CO -0.00 0.30 -0.21 0.42 -0.81 0.00 0.00 175.30 174.99 2mfn s ILE 124 N 0.36 1.87 -0.00 4.11 1.01 -0.51 0.13 121.20 128.18 2mfn s ILE 124 Ca 0.07 -1.73 0.06 0.00 0.00 0.00 0.00 60.65 59.06 2mfn s ILE 124 Cb -0.11 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 2mfn s ILE 124 CO -0.02 -0.12 -0.18 0.42 0.00 0.00 0.00 174.94 175.04 2mfn s THR 125 N -1.46 1.44 -0.05 2.92 -4.23 0.10 -1.45 115.64 112.91 2mfn s THR 125 Ca 0.11 -0.85 -0.26 0.00 -1.18 0.00 0.00 61.69 59.51 2mfn s THR 125 Cb -0.09 -1.21 -0.03 0.00 1.34 0.00 0.00 72.50 72.51 2mfn s THR 125 CO 0.06 0.35 0.81 -0.31 -0.54 0.00 0.00 174.62 174.98 2mfn s TYR 126 N -0.51 3.60 -0.15 3.99 1.51 0.40 -2.67 117.35 123.52 2mfn s TYR 126 Ca 0.07 1.41 -0.03 0.00 -1.01 0.00 0.00 57.07 57.50 2mfn s TYR 126 Cb -0.07 -2.93 -0.03 0.00 -0.11 0.00 0.00 41.96 38.82 2mfn s TYR 126 CO -0.00 0.03 -0.04 0.20 -1.11 0.00 0.00 175.55 174.63 2mfn s GLY 127 N 0.90 1.72 0.22 0.71 0.00 0.30 -2.90 107.32 108.26 2mfn s GLY 127 Ca 0.43 -0.82 0.06 0.00 0.00 0.00 0.00 44.72 44.39 2mfn s GLY 127 CO 0.21 -0.13 0.17 -0.54 0.00 0.00 0.00 173.10 172.81 2mfn s GLU 128 N 0.23 2.92 0.05 2.90 2.02 -1.26 -0.59 118.70 124.97 2mfn s GLU 128 Ca -0.03 -0.99 -0.10 0.00 0.02 0.00 0.00 54.97 53.88 2mfn s GLU 128 Cb -0.14 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.47 2mfn s GLU 128 CO 0.03 0.43 0.75 0.25 0.02 0.00 0.00 175.26 176.74 2mfn n THR 129 N -0.87 -0.22 -0.38 3.63 -2.24 0.26 0.23 114.28 114.69 2mfn n THR 129 Ca -0.08 1.15 -0.02 0.00 -2.27 0.00 0.00 64.05 62.83 2mfn n THR 129 Cb 0.57 -1.46 0.11 0.00 -2.10 0.00 0.00 70.33 67.44 2mfn n THR 129 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2mfn h GLY 130 N 0.00 1.42 0.00 3.38 0.00 -1.95 -3.45 103.07 102.47 2mfn h GLY 130 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2mfn h GLY 130 CO -0.31 0.52 0.00 0.61 0.00 0.00 0.00 176.54 177.36 2mfn n GLY 131 N -1.38 1.78 0.27 4.60 0.00 0.62 -4.60 105.19 106.48 2mfn n GLY 131 Ca 0.12 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.31 2mfn n GLY 131 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2mfn h ASN 132 N 0.00 0.00 -3.60 1.61 -0.73 -1.87 -3.43 115.58 107.56 2mfn h ASN 132 Ca 0.00 0.00 -0.46 0.00 1.87 0.00 0.00 56.30 57.71 2mfn h ASN 132 Cb 0.00 0.00 0.20 0.00 0.27 0.00 0.00 38.32 38.79 2mfn h ASN 132 CO 0.00 0.00 0.09 -0.94 -0.37 0.00 0.00 177.43 176.21 2mfn s SER 133 N -5.72 1.72 -0.85 1.15 1.04 -1.26 -4.74 113.70 105.03 2mfn s SER 133 Ca 0.02 1.65 -0.24 0.00 0.48 0.00 0.00 55.95 57.86 2mfn s SER 133 Cb 0.09 -2.32 -0.18 0.00 0.10 0.00 0.00 66.02 63.70 2mfn s SER 133 CO 0.55 -3.76 2.26 -2.65 0.98 0.00 0.00 173.24 170.63 2mfn n PRO 134 N -4.63 0.37 -0.74 4.02 -0.01 -1.26 -4.91 135.00 127.83 2mfn n PRO 134 Ca 0.05 -0.95 -0.32 0.00 -0.01 0.00 0.00 63.50 62.28 2mfn n PRO 134 Cb 0.54 -3.39 0.14 0.00 -0.01 0.00 0.00 33.50 30.78 2mfn n PRO 134 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 175.50 176.82 2mfn n VAL 135 N 8.40 0.00 -4.61 -1.45 0.24 -1.26 -4.98 118.33 114.67 2mfn n VAL 135 Ca 0.46 -0.12 -0.33 0.00 -2.04 0.00 0.00 64.34 62.31 2mfn n VAL 135 Cb 0.41 -0.78 -0.13 0.00 -1.47 0.00 0.00 33.84 31.87 2mfn n VAL 135 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2mfn s GLN 136 N -4.06 3.51 -0.13 7.34 -1.52 -1.14 -4.80 119.66 118.86 2mfn s GLN 136 Ca 0.61 -0.61 -0.03 0.00 -1.95 0.00 0.00 55.36 53.38 2mfn s GLN 136 Cb -0.22 -2.76 -0.03 0.00 -0.22 0.00 0.00 33.01 29.78 2mfn s GLN 136 CO 0.64 0.22 -0.02 -2.00 -0.25 0.00 0.00 175.29 173.88 2mfn s GLU 137 N 0.36 3.42 0.05 2.91 2.12 -1.26 0.15 118.70 126.46 2mfn s GLU 137 Ca -0.08 -0.47 -0.03 0.00 0.36 0.00 0.00 54.97 54.76 2mfn s GLU 137 Cb -0.15 -2.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 2mfn s GLU 137 CO 0.04 0.42 0.02 -0.59 -0.54 0.00 0.00 175.26 174.62 2mfn s PHE 138 N -0.12 0.37 0.41 5.30 -0.12 -0.53 -4.98 117.98 118.32 2mfn s PHE 138 Ca 0.03 -0.82 0.06 0.00 -0.05 0.00 0.00 56.93 56.15 2mfn s PHE 138 Cb -0.13 -0.27 0.00 0.00 -0.63 0.00 0.00 43.02 42.00 2mfn s PHE 138 CO 0.02 -0.37 0.57 0.95 -0.05 0.00 0.00 175.22 176.34 2mfn s THR 139 N -3.29 3.50 -0.11 -4.49 -4.23 -1.26 -1.42 115.64 104.33 2mfn s THR 139 Ca 0.01 -0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 59.62 2mfn s THR 139 Cb 0.03 -3.22 0.03 0.00 1.34 0.00 0.00 72.50 70.68 2mfn s THR 139 CO -0.08 -0.10 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.17 2mfn s VAL 140 N -2.37 0.75 0.14 2.29 1.01 -0.29 -4.91 120.40 117.02 2mfn s VAL 140 Ca 0.51 -0.19 -0.33 0.00 0.00 0.00 0.00 61.98 61.97 2mfn s VAL 140 Cb -0.10 -0.87 -0.12 0.00 0.00 0.00 0.00 36.38 35.28 2mfn s VAL 140 CO 0.34 0.25 1.71 -2.65 0.00 0.00 0.00 175.10 174.75 2mfn n PRO 141 N 5.02 2.48 0.00 2.72 -0.01 -1.26 -2.46 135.00 141.50 2mfn n PRO 141 Ca -0.10 0.90 0.00 0.00 -0.01 0.00 0.00 63.50 64.29 2mfn n PRO 141 Cb 0.50 -2.72 0.00 0.00 -0.01 0.00 0.00 33.50 31.26 2mfn n PRO 141 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2mfn n GLY 142 N 3.85 -0.19 0.46 -1.23 0.00 -1.03 -0.20 105.19 106.86 2mfn n GLY 142 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 2mfn n GLY 142 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2mfn n SER 143 N -1.13 1.45 -4.14 1.61 3.41 -1.26 -4.82 113.62 108.74 2mfn n SER 143 Ca 0.00 -1.48 -0.27 0.00 -0.26 0.00 0.00 58.87 56.86 2mfn n SER 143 Cb 0.04 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.83 2mfn n SER 143 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2mfn s LYS 144 N -2.01 2.09 0.00 4.33 -0.14 0.72 -4.99 119.74 119.74 2mfn s LYS 144 Ca 0.38 -0.64 0.27 0.00 -1.36 0.00 0.00 55.97 54.61 2mfn s LYS 144 Cb 0.21 -1.72 0.78 0.00 -1.68 0.00 0.00 37.83 35.42 2mfn s LYS 144 CO 0.34 0.19 1.59 -1.13 -0.76 0.00 0.00 175.35 175.58 2mfn n SER 145 N 3.36 1.97 -4.09 2.83 3.41 -1.26 -4.84 113.62 115.01 2mfn n SER 145 Ca -0.19 -1.66 -0.08 0.00 -0.26 0.00 0.00 58.87 56.68 2mfn n SER 145 Cb 0.53 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 2mfn n SER 145 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2mfn s THR 146 N -2.00 0.30 0.20 6.66 -4.23 -1.26 -2.40 115.64 112.91 2mfn s THR 146 Ca 0.35 -1.67 -0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2mfn s THR 146 Cb 0.21 -1.33 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 2mfn s THR 146 CO 0.32 -0.88 0.13 0.00 -0.54 0.00 0.00 174.62 173.65 2mfn s ALA 147 N -3.40 1.17 0.01 3.99 0.00 0.22 -4.97 121.76 118.78 2mfn s ALA 147 Ca 0.04 -1.70 0.08 0.00 0.00 0.00 0.00 51.96 50.38 2mfn s ALA 147 Cb 0.04 1.38 -0.03 0.00 0.00 0.00 0.00 23.12 24.52 2mfn s ALA 147 CO -0.07 -0.59 -0.24 0.99 0.00 0.00 0.00 175.76 175.85 2mfn s THR 148 N -4.16 2.29 -0.23 0.00 2.01 -1.26 0.02 115.64 114.31 2mfn s THR 148 Ca 0.39 -1.21 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 2mfn s THR 148 Cb 0.07 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 2mfn s THR 148 CO 0.12 0.46 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.86 2mfn s ILE 149 N -0.75 3.65 0.41 1.82 -1.09 0.15 -4.94 121.20 120.46 2mfn s ILE 149 Ca 0.12 -0.40 0.04 0.00 -2.23 0.00 0.00 60.65 58.18 2mfn s ILE 149 Cb -0.10 -2.67 -0.05 0.00 -1.58 0.00 0.00 42.46 38.05 2mfn s ILE 149 CO 0.01 0.40 0.03 0.20 -1.23 0.00 0.00 174.94 174.36 2mfn s ASN 150 N 1.47 3.46 -1.14 3.58 0.02 -1.26 -0.49 114.94 120.58 2mfn s ASN 150 Ca 0.05 -1.48 -0.00 0.00 -1.02 0.00 0.00 52.86 50.42 2mfn s ASN 150 Cb -0.14 0.00 0.00 0.00 0.02 0.00 0.00 41.25 41.13 2mfn s ASN 150 CO -0.01 -0.64 0.95 0.59 0.02 0.00 0.00 177.10 178.01 2mfn n ASN 151 N -1.01 -2.11 -4.71 -1.22 5.03 -1.20 -4.97 115.26 105.07 2mfn n ASN 151 Ca -0.08 -0.58 -0.27 0.00 0.87 0.00 0.00 54.58 54.51 2mfn n ASN 151 Cb 0.67 -4.87 -0.07 0.00 -1.02 0.00 0.00 39.78 34.48 2mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2mfn s ILE 152 N -3.34 3.99 -0.41 2.41 2.07 -0.97 -5.08 121.20 119.87 2mfn s ILE 152 Ca 0.01 -1.24 -0.16 0.00 -1.41 0.00 0.00 60.65 57.85 2mfn s ILE 152 Cb -0.00 -3.00 0.02 0.00 0.13 0.00 0.00 42.46 39.61 2mfn s ILE 152 CO 0.69 -0.06 0.35 -0.54 -1.91 0.00 0.00 174.94 173.47 2mfn s LYS 153 N -2.86 3.02 1.04 3.50 1.02 -1.26 -4.77 119.74 119.43 2mfn s LYS 153 Ca 0.28 -0.92 -0.13 0.00 0.02 0.00 0.00 55.97 55.22 2mfn s LYS 153 Cb -0.10 -3.98 0.21 0.00 -0.52 0.00 0.00 37.83 33.45 2mfn s LYS 153 CO 0.20 -0.79 1.08 -1.25 -0.92 0.00 0.00 175.35 173.67 2mfn s PRO 154 N 1.85 0.07 -1.12 -1.68 0.05 -1.26 -3.84 135.00 129.08 2mfn s PRO 154 Ca 0.08 0.52 0.00 0.00 0.05 0.00 0.00 61.00 61.65 2mfn s PRO 154 Cb -0.18 -1.69 0.00 0.00 0.05 0.00 0.00 34.50 32.67 2mfn s PRO 154 CO 0.11 -2.98 0.00 0.41 0.05 0.00 0.00 177.00 174.60 2mfn n GLY 155 N -0.77 1.19 3.16 0.56 0.00 -1.21 -4.99 105.19 103.13 2mfn n GLY 155 Ca 0.05 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.39 -0.47 0.61 4.61 0.00 -1.21 -4.98 121.76 117.93 2mfn s ALA 156 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.77 2mfn s ALA 156 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 2mfn s ALA 156 CO 0.00 -0.25 1.11 0.34 0.00 0.00 0.00 175.76 176.96 2mfn s ASP 157 N -1.49 5.38 0.05 0.00 -1.08 -1.26 -2.01 116.67 116.26 2mfn s ASP 157 Ca -0.13 2.06 -0.02 0.00 -0.52 0.00 0.00 52.55 53.94 2mfn s ASP 157 Cb -0.06 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.81 2mfn s ASP 157 CO 0.01 -1.45 -0.00 -0.31 0.52 0.00 0.00 175.17 173.94 2mfn s TYR 158 N -2.13 0.47 -0.09 -5.34 1.51 0.27 0.91 117.35 112.94 2mfn s TYR 158 Ca 0.69 -1.00 -0.01 0.00 -1.01 0.00 0.00 57.07 55.74 2mfn s TYR 158 Cb -0.21 -0.35 0.03 0.00 -0.11 0.00 0.00 41.96 41.32 2mfn s TYR 158 CO 0.36 -0.40 -0.03 0.99 -1.11 0.00 0.00 175.55 175.36 2mfn s THR 159 N -3.88 0.66 -0.24 -0.71 2.01 0.24 0.11 115.64 113.83 2mfn s THR 159 Ca 0.06 -0.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 2mfn s THR 159 Cb 0.07 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 2mfn s THR 159 CO -0.10 0.31 0.05 -0.63 -0.69 0.00 0.00 174.62 173.56 2mfn s ILE 160 N 1.86 4.22 -0.10 1.82 1.01 -0.60 0.11 121.20 129.52 2mfn s ILE 160 Ca 0.05 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.54 2mfn s ILE 160 Cb -0.12 -2.96 -0.00 0.00 0.01 0.00 0.00 42.46 39.38 2mfn s ILE 160 CO -0.07 0.36 -0.24 -0.89 0.00 0.00 0.00 174.94 174.10 2mfn s THR 161 N 1.51 2.06 -0.05 2.92 2.01 -1.09 -1.36 115.64 121.63 2mfn s THR 161 Ca 0.06 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 61.08 2mfn s THR 161 Cb -0.15 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 2mfn s THR 161 CO 0.03 0.56 -0.17 -1.48 -0.69 0.00 0.00 174.62 172.86 2mfn s LEU 162 N 0.32 2.53 0.23 4.42 0.05 -0.84 -0.72 118.68 124.68 2mfn s LEU 162 Ca -0.18 -0.30 0.11 0.00 0.05 0.00 0.00 54.13 53.81 2mfn s LEU 162 Cb -0.18 -1.50 -0.05 0.00 -2.05 0.00 0.00 46.19 42.41 2mfn s LEU 162 CO 0.09 0.31 -0.15 -0.31 -0.55 0.00 0.00 176.35 175.74 2mfn s TYR 163 N -0.51 2.44 -0.05 3.48 1.51 0.36 -2.63 117.35 121.95 2mfn s TYR 163 Ca 0.07 -0.29 0.06 0.00 -1.01 0.00 0.00 57.07 55.89 2mfn s TYR 163 Cb -0.12 -1.13 -0.01 0.00 -0.11 0.00 0.00 41.96 40.59 2mfn s TYR 163 CO 0.01 0.60 -0.24 0.00 -1.11 0.00 0.00 175.55 174.81 2mfn s ALA 164 N -2.10 2.10 -0.23 3.71 0.00 -1.26 -0.44 121.76 123.55 2mfn s ALA 164 Ca 0.27 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 2mfn s ALA 164 Cb -0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 2mfn s ALA 164 CO 0.15 0.42 -0.01 0.08 0.00 0.00 0.00 175.76 176.40 2mfn s VAL 165 N -0.19 3.68 -0.12 0.00 1.01 0.13 -3.17 120.40 121.74 2mfn s VAL 165 Ca -0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 2mfn s VAL 165 Cb -0.13 -2.69 -0.07 0.00 0.00 0.00 0.00 36.38 33.48 2mfn s VAL 165 CO 0.03 0.40 -0.12 0.35 0.00 0.00 0.00 175.10 175.75 2mfn n THR 166 N 4.84 0.70 0.00 3.92 -2.24 -1.03 -0.14 114.28 120.33 2mfn n THR 166 Ca -0.18 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2mfn n THR 166 Cb 0.51 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 2.73 -2.27 3.21 3.38 0.00 -1.22 -4.39 105.19 106.63 2mfn n GLY 167 Ca -0.23 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 2mfn n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2mfn s ARG 168 N 0.00 1.22 0.50 1.61 0.52 -0.83 -4.74 118.95 117.24 2mfn s ARG 168 Ca 0.00 -1.64 0.33 0.00 -0.52 0.00 0.00 55.73 53.89 2mfn s ARG 168 Cb 0.00 0.22 1.45 0.00 0.52 0.00 0.00 34.95 37.14 2mfn s ARG 168 CO 0.00 -0.38 1.77 0.78 0.02 0.00 0.00 175.30 177.49 2mfn h GLY 169 N 2.60 0.40 1.17 -3.53 0.00 -1.98 0.91 103.07 102.63 2mfn h GLY 169 Ca -0.36 -0.06 -0.21 0.00 0.00 0.00 0.00 47.33 46.70 2mfn h GLY 169 CO 0.54 -0.06 -0.66 -0.55 0.00 0.00 0.00 176.54 175.80 2mfn h ASP 170 N 0.10 0.97 -2.07 0.19 3.32 -2.03 -3.37 116.42 113.54 2mfn h ASP 170 Ca 0.62 -0.58 -0.57 0.00 0.02 0.00 0.00 57.03 56.51 2mfn h ASP 170 Cb 2.20 -0.28 -0.40 0.00 0.22 0.00 0.00 39.33 41.07 2mfn h ASP 170 CO -0.11 1.38 -0.93 -1.20 -1.72 0.00 0.00 179.24 176.66 2mfn n SER 171 N -3.97 1.41 -4.55 6.45 7.64 0.27 -5.07 113.62 115.80 2mfn n SER 171 Ca -0.06 -2.95 -0.34 0.00 1.01 0.00 0.00 58.87 56.54 2mfn n SER 171 Cb 0.69 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 2mfn n SER 171 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2mfn s PRO 172 N -1.63 2.13 0.08 1.43 0.05 0.11 -1.97 135.00 135.22 2mfn s PRO 172 Ca 0.37 1.12 0.07 0.00 0.05 0.00 0.00 61.00 62.61 2mfn s PRO 172 Cb 0.16 -4.59 -0.04 0.00 0.05 0.00 0.00 34.50 30.09 2mfn s PRO 172 CO -0.08 -3.34 -0.13 0.00 0.05 0.00 0.00 177.00 173.51 2mfn s ALA 173 N 11.95 2.82 0.03 8.56 0.00 -1.26 -4.93 121.76 138.93 2mfn s ALA 173 Ca 0.91 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 51.66 2mfn s ALA 173 Cb -0.15 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 2mfn s ALA 173 CO 0.22 0.61 -0.10 -1.54 0.00 0.00 0.00 175.76 174.96 2mfn s SER 174 N -1.95 1.11 0.78 0.00 1.04 -1.26 -2.48 113.70 110.94 2mfn s SER 174 Ca 0.19 -0.42 -0.11 0.00 0.48 0.00 0.00 55.95 56.09 2mfn s SER 174 Cb -0.11 -0.04 0.07 0.00 0.10 0.00 0.00 66.02 66.04 2mfn s SER 174 CO 0.10 -0.06 1.15 -0.94 0.98 0.00 0.00 173.24 174.47 2mfn s SER 175 N -1.11 4.68 -0.03 7.02 1.04 -1.19 -4.92 113.70 119.19 2mfn s SER 175 Ca -0.03 0.80 -0.33 0.00 0.48 0.00 0.00 55.95 56.86 2mfn s SER 175 Cb -0.07 -1.35 -0.11 0.00 0.10 0.00 0.00 66.02 64.58 2mfn s SER 175 CO 0.01 -1.79 1.87 0.29 0.98 0.00 0.00 173.24 174.60 2mfn n LYS 176 N -3.23 2.34 -1.38 4.02 4.76 -1.26 -4.65 118.16 118.76 2mfn n LYS 176 Ca 0.08 0.86 -0.34 0.00 -2.87 0.00 0.00 58.31 56.03 2mfn n LYS 176 Cb 0.60 -2.72 0.10 0.00 -1.84 0.00 0.00 35.03 31.17 2mfn n LYS 176 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 2mfn s PRO 177 N 3.78 2.04 -0.11 1.97 0.02 -1.26 -4.80 135.00 136.64 2mfn s PRO 177 Ca 0.90 1.81 0.02 0.00 0.02 0.00 0.00 61.00 63.76 2mfn s PRO 177 Cb -0.63 -1.82 -0.01 0.00 0.02 0.00 0.00 34.50 32.07 2mfn s PRO 177 CO 0.48 -1.92 -0.20 0.08 -0.33 0.00 0.00 177.00 175.11 2mfn s VAL 178 N -1.93 2.46 0.22 3.83 1.01 -1.08 -5.02 120.40 119.88 2mfn s VAL 178 Ca 0.75 -0.88 0.11 0.00 0.00 0.00 0.00 61.98 61.97 2mfn s VAL 178 Cb -0.30 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 2mfn s VAL 178 CO 0.46 0.55 -0.21 -0.94 0.00 0.00 0.00 175.10 174.95 2mfn s SER 179 N 0.34 3.32 0.14 3.32 1.04 -1.26 -1.98 113.70 118.63 2mfn s SER 179 Ca -0.16 -0.93 -0.01 0.00 0.48 0.00 0.00 55.95 55.33 2mfn s SER 179 Cb -0.17 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.66 2mfn s SER 179 CO 0.08 0.05 0.06 0.27 0.98 0.00 0.00 173.24 174.68 2mfn s ILE 180 N -2.08 0.14 -0.14 -1.02 -4.36 -0.47 -4.99 121.20 108.28 2mfn s ILE 180 Ca 0.23 -1.92 -0.01 0.00 -0.26 0.00 0.00 60.65 58.69 2mfn s ILE 180 Cb -0.06 -2.10 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 2mfn s ILE 180 CO 0.11 -0.42 -0.10 0.20 0.24 0.00 0.00 174.94 174.97 2mfn s ASN 181 N -3.07 4.23 -0.16 4.36 0.01 -1.26 -1.56 114.94 117.49 2mfn s ASN 181 Ca 0.26 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 2mfn s ASN 181 Cb 0.07 -1.66 0.03 0.00 0.41 0.00 0.00 41.25 40.10 2mfn s ASN 181 CO 0.03 0.17 -0.12 -0.47 -1.51 0.00 0.00 177.10 175.19 2mfn s TYR 182 N 0.35 2.16 0.08 2.20 6.14 0.31 -4.92 117.35 123.68 2mfn s TYR 182 Ca -0.09 -1.27 -0.20 0.00 0.64 0.00 0.00 57.07 56.15 2mfn s TYR 182 Cb -0.15 -1.57 -0.07 0.00 0.42 0.00 0.00 41.96 40.59 2mfn s TYR 182 CO 0.05 -0.68 0.59 0.15 0.64 0.00 0.00 175.55 176.31 2mfn s LYS 183 N 1.49 4.25 0.00 4.97 1.02 -1.26 0.94 119.74 131.14 2mfn s LYS 183 Ca 0.03 0.79 0.10 0.00 0.02 0.00 0.00 55.97 56.91 2mfn s LYS 183 Cb -0.14 -3.24 0.08 0.00 -0.52 0.00 0.00 37.83 34.01 2mfn s LYS 183 CO -0.10 0.63 0.81 0.25 -0.92 0.00 0.00 175.35 176.02