#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfn n LEU 2 N 0.00 0.00 -4.77 0.99 4.77 -1.26 -5.11 117.00 111.62 1mfn n LEU 2 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1mfn n LEU 2 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1mfn n LEU 2 CO 0.00 0.00 -0.25 -1.81 -1.33 0.00 0.00 177.39 174.00 1mfn s ASP 3 N 0.44 5.42 -0.13 -1.43 1.11 -1.26 -4.91 116.67 115.91 1mfn s ASP 3 Ca 0.00 -0.13 -0.14 0.00 0.18 0.00 0.00 52.55 52.46 1mfn s ASP 3 Cb 0.00 -1.40 -0.05 0.00 1.07 0.00 0.00 42.92 42.55 1mfn s ASP 3 CO 0.00 0.11 0.33 -0.55 1.18 0.00 0.00 175.17 176.23 1mfn s SER 4 N -2.84 6.53 -0.68 0.27 0.15 -1.26 -4.63 113.70 111.24 1mfn s SER 4 Ca 0.30 0.62 -0.27 0.00 0.70 0.00 0.00 55.95 57.30 1mfn s SER 4 Cb -0.11 -2.20 0.03 0.00 -1.71 0.00 0.00 66.02 62.03 1mfn s SER 4 CO 0.22 0.14 1.28 -2.16 1.20 0.00 0.00 173.24 173.92 1mfn s PRO 5 N 0.15 3.28 0.00 5.44 0.04 -1.26 -4.58 135.00 138.07 1mfn s PRO 5 Ca 0.19 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1mfn s PRO 5 Cb -0.14 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1mfn s PRO 5 CO 0.06 -2.01 0.00 0.25 0.04 0.00 0.00 177.00 175.34 1mfn n THR 6 N 6.52 0.00 -2.13 1.26 -2.24 -1.22 -4.53 114.28 111.95 1mfn n THR 6 Ca 0.06 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.79 1mfn n THR 6 Cb 0.49 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 1mfn n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 7 N 5.00 -0.26 3.67 3.38 0.00 -1.26 0.32 105.19 116.03 1mfn n GLY 7 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 1mfn n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1mfn n PHE 8 N -2.43 2.05 -3.22 1.61 -0.00 -1.26 -3.33 117.46 110.87 1mfn n PHE 8 Ca -0.05 0.35 -0.10 0.00 -0.00 0.00 0.00 57.45 57.65 1mfn n PHE 8 Cb 0.44 -2.50 -0.04 0.00 -0.00 0.00 0.00 39.48 37.37 1mfn n PHE 8 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1mfn s ASP 9 N 2.43 -0.12 -0.15 -2.13 2.15 -0.76 -4.89 116.67 113.20 1mfn s ASP 9 Ca 0.89 -1.46 -0.25 0.00 0.43 0.00 0.00 52.55 52.16 1mfn s ASP 9 Cb -0.86 1.16 -0.02 0.00 -0.30 0.00 0.00 42.92 42.90 1mfn s ASP 9 CO 0.52 -0.19 0.83 -0.94 -0.17 0.00 0.00 175.17 175.22 1mfn s SER 10 N 1.37 6.98 0.00 -0.34 1.04 -1.26 -0.46 113.70 121.03 1mfn s SER 10 Ca 0.20 1.21 0.00 0.00 0.48 0.00 0.00 55.95 57.84 1mfn s SER 10 Cb -0.08 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1mfn s SER 10 CO -0.06 -0.37 0.00 -1.54 0.98 0.00 0.00 173.24 172.26 1mfn n SER 11 N 5.03 0.00 -4.27 7.02 3.41 -0.52 -4.89 113.62 119.39 1mfn n SER 11 Ca 0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.28 1mfn n SER 11 Cb 0.49 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1mfn n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mfn n ASP 12 N 0.00 -3.14 -4.73 4.04 9.92 -1.26 -1.26 116.55 120.12 1mfn n ASP 12 Ca 0.00 -1.04 -0.40 0.00 -0.53 0.00 0.00 54.79 52.82 1mfn n ASP 12 Cb 0.00 -2.61 -0.05 0.00 -0.64 0.00 0.00 41.12 37.82 1mfn n ASP 12 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1mfn s ILE 13 N -3.28 4.91 0.00 0.53 1.01 -1.26 -1.09 121.20 122.02 1mfn s ILE 13 Ca 0.76 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.99 1mfn s ILE 13 Cb -0.42 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 37.95 1mfn s ILE 13 CO 0.94 0.28 0.00 0.41 0.00 0.00 0.00 174.94 176.58 1mfn n THR 14 N 3.42 0.00 0.00 2.92 -1.04 0.79 -4.61 114.28 115.75 1mfn n THR 14 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1mfn n THR 14 Cb 0.51 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1mfn n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mfn n ALA 15 N -3.00 -0.04 1.25 2.41 0.00 -1.14 -0.03 120.51 119.96 1mfn n ALA 15 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1mfn n ALA 15 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1mfn n ALA 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mfn n ASN 16 N -1.91 1.08 -3.51 0.00 3.02 -1.26 -3.53 115.26 109.16 1mfn n ASN 16 Ca 0.00 -2.06 -0.11 0.00 -0.03 0.00 0.00 54.58 52.38 1mfn n ASN 16 Cb 0.00 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 1mfn n ASN 16 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1mfn s SER 17 N -0.63 -0.44 -0.18 6.41 0.15 -1.25 -1.19 113.70 116.56 1mfn s SER 17 Ca 0.08 0.19 -0.28 0.00 0.70 0.00 0.00 55.95 56.64 1mfn s SER 17 Cb 0.05 0.42 0.10 0.00 -1.71 0.00 0.00 66.02 64.88 1mfn s SER 17 CO 0.04 -0.62 0.86 0.72 1.20 0.00 0.00 173.24 175.44 1mfn s PHE 18 N -2.52 -0.57 0.25 3.44 -0.12 -0.70 0.28 117.98 118.04 1mfn s PHE 18 Ca 0.01 1.18 -0.12 0.00 -0.05 0.00 0.00 56.93 57.95 1mfn s PHE 18 Cb -0.01 0.38 -0.08 0.00 -0.63 0.00 0.00 43.02 42.68 1mfn s PHE 18 CO -0.05 -0.39 0.61 0.99 -0.05 0.00 0.00 175.22 176.33 1mfn s THR 19 N -0.47 4.85 -0.17 -4.49 2.01 -0.25 -1.66 115.64 115.46 1mfn s THR 19 Ca -0.03 0.64 -0.01 0.00 0.31 0.00 0.00 61.69 62.60 1mfn s THR 19 Cb -0.02 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 68.91 1mfn s THR 19 CO 0.02 -0.09 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.14 1mfn s VAL 20 N -1.85 0.97 0.51 3.82 1.01 -0.83 -1.44 120.40 122.59 1mfn s VAL 20 Ca 0.49 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1mfn s VAL 20 Cb -0.11 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.08 1mfn s VAL 20 CO 0.20 0.05 0.70 -1.00 0.00 0.00 0.00 175.10 175.05 1mfn s HIS 21 N 1.68 2.69 0.00 5.22 3.76 0.39 -1.89 115.29 127.14 1mfn s HIS 21 Ca 0.00 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 1mfn s HIS 21 Cb -0.16 -2.58 0.00 0.00 1.11 0.00 0.00 32.58 30.96 1mfn s HIS 21 CO -0.07 -0.75 0.00 -2.67 -0.85 0.00 0.00 174.74 170.40 1mfn n TRP 22 N -2.16 0.00 -1.52 1.40 2.14 0.01 -1.83 117.44 115.48 1mfn n TRP 22 Ca 0.09 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.36 1mfn n TRP 22 Cb 0.60 0.00 0.10 0.00 -0.81 0.00 0.00 31.31 31.19 1mfn n TRP 22 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1mfn s VAL 23 N -0.64 3.01 0.42 -1.67 1.01 0.15 -4.69 120.40 117.99 1mfn s VAL 23 Ca 0.00 0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.36 1mfn s VAL 23 Cb 0.00 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.34 1mfn s VAL 23 CO 0.00 -0.43 0.59 0.00 0.00 0.00 0.00 175.10 175.26 1mfn s ALA 24 N -3.14 4.17 1.00 5.51 0.00 -1.26 -3.38 121.76 124.66 1mfn s ALA 24 Ca 0.61 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1mfn s ALA 24 Cb -0.15 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1mfn s ALA 24 CO 0.54 -0.30 0.00 -0.35 0.00 0.00 0.00 175.76 175.66 1mfn n PRO 25 N -1.91 1.14 -0.14 0.00 -0.04 -1.26 -4.67 135.00 128.12 1mfn n PRO 25 Ca 0.04 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.55 1mfn n PRO 25 Cb 0.59 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.11 1mfn n PRO 25 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mfn n ARG 26 N 0.00 1.27 -4.53 0.54 1.74 -1.26 -5.02 116.66 109.40 1mfn n ARG 26 Ca 0.00 -1.79 -0.30 0.00 -0.77 0.00 0.00 57.85 54.99 1mfn n ARG 26 Cb 0.00 -1.07 -0.07 0.00 -1.02 0.00 0.00 32.46 30.30 1mfn n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mfn s ALA 27 N -1.55 3.95 0.17 7.54 0.00 -1.26 -5.01 121.76 125.60 1mfn s ALA 27 Ca 0.15 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 1mfn s ALA 27 Cb 0.13 -0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.06 1mfn s ALA 27 CO 0.01 -0.12 1.01 -1.25 0.00 0.00 0.00 175.76 175.42 1mfn s PRO 28 N -3.92 4.70 0.36 0.00 0.04 -1.26 -5.01 135.00 129.92 1mfn s PRO 28 Ca 0.19 1.57 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 1mfn s PRO 28 Cb 0.03 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 31.27 1mfn s PRO 28 CO 0.10 0.24 0.54 0.44 0.04 0.00 0.00 177.00 178.36 1mfn n ILE 29 N 2.26 0.00 -0.04 0.56 -5.35 -1.26 -4.75 119.36 110.78 1mfn n ILE 29 Ca 0.01 -1.72 0.00 0.00 -0.27 0.00 0.00 62.75 60.77 1mfn n ILE 29 Cb 0.47 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 1mfn n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1mfn n THR 30 N -0.59 0.43 0.00 7.28 -2.24 -1.15 -4.93 114.28 113.08 1mfn n THR 30 Ca -0.01 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1mfn n THR 30 Cb 0.60 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1mfn n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 31 N -0.22 2.05 3.19 3.38 0.00 -1.26 -4.32 105.19 108.02 1mfn n GLY 31 Ca 0.00 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 1mfn n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mfn s TYR 32 N -1.76 2.74 0.13 1.61 1.51 -0.39 -3.57 117.35 117.61 1mfn s TYR 32 Ca 0.00 -1.33 -0.30 0.00 -1.01 0.00 0.00 57.07 54.43 1mfn s TYR 32 Cb 0.00 -1.87 -0.06 0.00 -0.11 0.00 0.00 41.96 39.92 1mfn s TYR 32 CO 0.00 -0.62 0.97 0.42 -1.11 0.00 0.00 175.55 175.21 1mfn s ILE 33 N 0.96 4.42 -0.32 2.71 1.09 0.52 -0.37 121.20 130.21 1mfn s ILE 33 Ca -0.03 2.04 -0.01 0.00 -1.10 0.00 0.00 60.65 61.55 1mfn s ILE 33 Cb -0.15 -4.30 0.07 0.00 -1.06 0.00 0.00 42.46 37.02 1mfn s ILE 33 CO -0.04 0.33 0.03 -0.63 -0.10 0.00 0.00 174.94 174.53 1mfn s ILE 34 N -0.12 2.89 -0.27 2.92 -1.09 0.67 0.21 121.20 126.41 1mfn s ILE 34 Ca 0.47 -1.64 -0.06 0.00 -2.23 0.00 0.00 60.65 57.19 1mfn s ILE 34 Cb -0.24 -2.78 -0.00 0.00 -1.58 0.00 0.00 42.46 37.86 1mfn s ILE 34 CO 0.30 -0.26 0.04 -0.13 -1.23 0.00 0.00 174.94 173.66 1mfn s ARG 35 N 1.18 3.25 0.42 2.79 0.52 0.13 0.62 118.95 127.85 1mfn s ARG 35 Ca -0.01 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.49 1mfn s ARG 35 Cb -0.20 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 31.98 1mfn s ARG 35 CO -0.03 -0.34 0.08 -3.38 0.02 0.00 0.00 175.30 171.66 1mfn s HIS 36 N 1.51 1.88 0.00 -0.53 -3.43 -0.73 0.21 115.29 114.18 1mfn s HIS 36 Ca 0.04 -1.12 0.00 0.00 -0.80 0.00 0.00 55.06 53.18 1mfn s HIS 36 Cb -0.16 -1.32 0.00 0.00 -1.43 0.00 0.00 32.58 29.67 1mfn s HIS 36 CO 0.01 -0.08 0.00 -2.39 -2.00 0.00 0.00 174.74 170.28 1mfn n HIS 37 N -0.95 0.00 -0.97 0.38 1.44 -0.27 0.12 115.22 114.97 1mfn n HIS 37 Ca -0.08 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.26 1mfn n HIS 37 Cb 0.66 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.82 1mfn n HIS 37 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1mfn n ALA 38 N -0.24 -5.31 1.15 1.59 0.00 -1.26 0.21 120.51 116.66 1mfn n ALA 38 Ca 0.00 -0.91 0.14 0.00 0.00 0.00 0.00 53.44 52.67 1mfn n ALA 38 Cb 0.00 -1.11 0.58 0.00 0.00 0.00 0.00 19.45 18.92 1mfn n ALA 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mfn n GLU 39 N 1.95 0.21 -1.43 0.00 1.02 -0.59 -3.49 120.64 118.31 1mfn n GLU 39 Ca -0.01 -0.04 -0.18 0.00 -0.02 0.00 0.00 57.16 56.91 1mfn n GLU 39 Cb 0.62 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.64 1mfn n GLU 39 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1mfn n HIS 40 N -1.36 2.11 -3.27 -0.32 -0.00 -1.26 -4.85 115.22 106.27 1mfn n HIS 40 Ca 0.09 -2.12 -0.06 0.00 0.46 0.00 0.00 57.72 56.09 1mfn n HIS 40 Cb 0.31 -0.57 -0.04 0.00 -0.12 0.00 0.00 29.99 29.57 1mfn n HIS 40 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1mfn s SER 41 N -2.95 -0.39 0.00 0.26 1.04 -1.23 -4.98 113.70 105.45 1mfn s SER 41 Ca 0.50 -0.92 0.16 0.00 0.48 0.00 0.00 55.95 56.18 1mfn s SER 41 Cb 0.42 1.39 0.60 0.00 0.10 0.00 0.00 66.02 68.54 1mfn s SER 41 CO 0.01 -0.23 1.44 0.52 0.98 0.00 0.00 173.24 175.95 1mfn n VAL 42 N 4.57 0.25 -0.05 5.02 0.31 -1.26 -4.61 118.33 122.56 1mfn n VAL 42 Ca 0.09 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1mfn n VAL 42 Cb 0.52 0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.67 1mfn n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mfn n GLY 43 N 1.03 -1.27 3.45 2.92 0.00 -1.26 -4.72 105.19 105.34 1mfn n GLY 43 Ca 0.13 -1.55 -0.45 0.00 0.00 0.00 0.00 46.02 44.16 1mfn n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfn n ARG 44 N -0.07 0.15 -1.76 1.61 1.74 -1.26 -4.86 116.66 112.21 1mfn n ARG 44 Ca 0.00 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.79 1mfn n ARG 44 Cb 0.00 -1.72 0.04 0.00 -1.02 0.00 0.00 32.46 29.76 1mfn n ARG 44 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1mfn s PRO 45 N 8.24 3.11 0.49 5.56 0.04 -1.26 -5.03 135.00 146.14 1mfn s PRO 45 Ca 1.28 0.74 -0.21 0.00 0.04 0.00 0.00 61.00 62.85 1mfn s PRO 45 Cb -1.19 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 31.24 1mfn s PRO 45 CO 0.50 -0.92 1.06 1.03 0.04 0.00 0.00 177.00 178.71 1mfn s ARG 46 N -5.18 3.76 -0.15 4.56 0.52 0.33 -4.89 118.95 117.90 1mfn s ARG 46 Ca 0.57 1.43 0.02 0.00 -0.52 0.00 0.00 55.73 57.23 1mfn s ARG 46 Cb -0.12 -2.13 0.02 0.00 0.52 0.00 0.00 34.95 33.23 1mfn s ARG 46 CO 0.54 -0.48 -0.20 -0.65 0.02 0.00 0.00 175.30 174.53 1mfn s GLN 47 N -3.15 2.86 -0.10 3.54 1.11 -1.26 -1.78 119.66 120.88 1mfn s GLN 47 Ca 0.67 -0.79 -0.04 0.00 0.01 0.00 0.00 55.36 55.22 1mfn s GLN 47 Cb -0.18 -2.40 0.05 0.00 -1.01 0.00 0.00 33.01 29.47 1mfn s GLN 47 CO 0.22 -0.12 0.19 -0.51 0.01 0.00 0.00 175.29 175.09 1mfn s ASP 48 N 1.08 0.62 0.11 5.90 1.01 0.20 -5.00 116.67 120.60 1mfn s ASP 48 Ca -0.01 0.42 0.03 0.00 0.71 0.00 0.00 52.55 53.70 1mfn s ASP 48 Cb -0.14 0.42 -0.04 0.00 1.01 0.00 0.00 42.92 44.16 1mfn s ASP 48 CO -0.07 -0.24 0.14 -0.13 0.21 0.00 0.00 175.17 175.08 1mfn s ARG 49 N 2.33 3.04 0.21 8.23 1.81 -1.26 0.24 118.95 133.54 1mfn s ARG 49 Ca 0.02 -0.70 0.06 0.00 -1.72 0.00 0.00 55.73 53.40 1mfn s ARG 49 Cb -0.12 -2.77 -0.05 0.00 -0.45 0.00 0.00 34.95 31.56 1mfn s ARG 49 CO -0.07 0.54 -0.11 0.14 -0.68 0.00 0.00 175.30 175.13 1mfn s VAL 50 N -1.57 1.53 0.97 3.52 -7.23 0.50 -4.81 120.40 113.31 1mfn s VAL 50 Ca 0.31 -2.15 -0.15 0.00 -1.81 0.00 0.00 61.98 58.19 1mfn s VAL 50 Cb -0.11 -2.09 0.18 0.00 0.56 0.00 0.00 36.38 34.91 1mfn s VAL 50 CO 0.24 -0.56 1.20 -2.16 -0.31 0.00 0.00 175.10 173.51 1mfn s PRO 51 N -3.70 0.64 0.26 4.82 0.04 -1.26 -1.26 135.00 134.53 1mfn s PRO 51 Ca 0.23 -0.03 0.26 0.00 0.04 0.00 0.00 61.00 61.49 1mfn s PRO 51 Cb 0.01 -1.81 0.83 0.00 0.04 0.00 0.00 34.50 33.58 1mfn s PRO 51 CO 0.06 -2.47 1.76 -1.00 0.04 0.00 0.00 177.00 175.39 1mfn h PRO 52 N -1.69 0.00 -0.56 0.56 0.13 -1.89 -3.06 132.00 125.49 1mfn h PRO 52 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1mfn h PRO 52 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1mfn h PRO 52 CO 0.49 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.71 1mfn n SER 53 N -2.37 5.09 -3.96 1.44 2.88 -1.26 -4.80 113.62 110.64 1mfn n SER 53 Ca 0.04 -2.75 -0.31 0.00 -1.33 0.00 0.00 58.87 54.53 1mfn n SER 53 Cb 0.38 -0.62 -0.15 0.00 -0.75 0.00 0.00 64.21 63.08 1mfn n SER 53 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1mfn s ARG 54 N -2.40 1.35 0.00 -1.46 1.81 -1.16 -4.93 118.95 112.16 1mfn s ARG 54 Ca 0.51 -1.65 0.29 0.00 -1.72 0.00 0.00 55.73 53.16 1mfn s ARG 54 Cb 0.37 -2.91 1.31 0.00 -0.45 0.00 0.00 34.95 33.27 1mfn s ARG 54 CO 0.18 -0.92 1.90 0.27 -0.68 0.00 0.00 175.30 176.05 1mfn n ASN 55 N 4.40 0.58 -4.02 0.23 0.23 -1.26 -4.76 115.26 110.66 1mfn n ASN 55 Ca 0.01 -0.83 -0.12 0.00 -0.53 0.00 0.00 54.58 53.12 1mfn n ASN 55 Cb 0.42 -0.04 -0.12 0.00 -2.08 0.00 0.00 39.78 37.96 1mfn n ASN 55 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1mfn s SER 56 N -2.30 0.60 -0.05 0.53 1.04 -1.26 -0.81 113.70 111.45 1mfn s SER 56 Ca 0.34 -0.48 -0.00 0.00 0.48 0.00 0.00 55.95 56.28 1mfn s SER 56 Cb 0.21 0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.40 1mfn s SER 56 CO 0.43 -0.21 -0.01 -0.51 0.98 0.00 0.00 173.24 173.92 1mfn s ILE 57 N -1.28 0.30 -0.50 -1.02 2.07 -0.79 -4.90 121.20 115.08 1mfn s ILE 57 Ca -0.11 0.08 -0.22 0.00 -1.41 0.00 0.00 60.65 58.98 1mfn s ILE 57 Cb -0.09 -0.41 0.04 0.00 0.13 0.00 0.00 42.46 42.13 1mfn s ILE 57 CO -0.00 0.20 0.79 -0.89 -1.91 0.00 0.00 174.94 173.13 1mfn s THR 58 N 1.38 4.62 0.38 4.00 2.01 -1.26 -1.96 115.64 124.80 1mfn s THR 58 Ca -0.04 0.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.95 1mfn s THR 58 Cb -0.13 -4.39 -0.08 0.00 0.01 0.00 0.00 72.50 67.91 1mfn s THR 58 CO -0.02 -0.88 0.79 -0.76 -0.69 0.00 0.00 174.62 173.06 1mfn s LEU 59 N 3.34 3.93 0.00 4.42 1.43 -0.66 -4.85 118.68 126.29 1mfn s LEU 59 Ca 0.26 1.29 0.05 0.00 -1.03 0.00 0.00 54.13 54.70 1mfn s LEU 59 Cb -0.14 -4.14 -0.02 0.00 0.03 0.00 0.00 46.19 41.92 1mfn s LEU 59 CO 0.19 -0.32 0.20 0.35 0.23 0.00 0.00 176.35 176.99 1mfn n THR 60 N -0.82 0.00 -2.39 5.49 -2.24 -1.26 -1.72 114.28 111.34 1mfn n THR 60 Ca 0.04 -1.87 -0.16 0.00 -2.27 0.00 0.00 64.05 59.78 1mfn n THR 60 Cb 0.54 0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 69.63 1mfn n THR 60 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1mfn n ASN 61 N -1.91 -4.87 -4.62 3.42 5.03 -0.33 -4.86 115.26 107.11 1mfn n ASN 61 Ca 0.04 0.10 -0.34 0.00 0.87 0.00 0.00 54.58 55.25 1mfn n ASN 61 Cb 0.47 -4.10 -0.10 0.00 -1.02 0.00 0.00 39.78 35.02 1mfn n ASN 61 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1mfn s LEU 62 N -5.77 3.47 -0.09 3.41 1.43 -0.97 -5.03 118.68 115.12 1mfn s LEU 62 Ca 0.00 0.05 -0.40 0.00 -1.03 0.00 0.00 54.13 52.75 1mfn s LEU 62 Cb 0.00 -1.81 -0.18 0.00 0.03 0.00 0.00 46.19 44.23 1mfn s LEU 62 CO 0.00 0.30 1.38 0.59 0.23 0.00 0.00 176.35 178.85 1mfn n ASN 63 N 2.66 1.28 -4.72 2.29 5.03 -1.26 -4.05 115.26 116.49 1mfn n ASN 63 Ca -0.18 1.13 -0.42 0.00 0.87 0.00 0.00 54.58 55.98 1mfn n ASN 63 Cb 0.53 -1.06 -0.03 0.00 -1.02 0.00 0.00 39.78 38.19 1mfn n ASN 63 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1mfn s PRO 64 N 1.32 4.54 -0.09 3.52 0.04 -1.23 -4.07 135.00 139.03 1mfn s PRO 64 Ca 0.92 1.58 -0.00 0.00 0.04 0.00 0.00 61.00 63.54 1mfn s PRO 64 Cb -1.14 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 30.01 1mfn s PRO 64 CO 0.58 -0.07 0.08 0.41 0.04 0.00 0.00 177.00 178.04 1mfn n GLY 65 N 2.80 0.59 3.60 0.56 0.00 0.73 -4.51 105.19 108.95 1mfn n GLY 65 Ca 0.06 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 1mfn n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mfn s THR 66 N -3.03 0.01 -0.10 2.61 2.01 -0.92 -4.89 115.64 111.33 1mfn s THR 66 Ca 0.03 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1mfn s THR 66 Cb -0.00 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1mfn s THR 66 CO 0.07 -0.06 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.17 1mfn s GLU 67 N -3.88 3.08 0.35 4.92 8.01 -1.26 0.16 118.70 130.08 1mfn s GLU 67 Ca 0.09 -0.73 0.03 0.00 0.01 0.00 0.00 54.97 54.38 1mfn s GLU 67 Cb -0.02 -2.49 -0.04 0.00 -4.31 0.00 0.00 34.13 27.26 1mfn s GLU 67 CO -0.01 0.31 0.10 0.71 0.01 0.00 0.00 175.26 176.39 1mfn s TYR 68 N 0.07 1.79 -0.27 1.61 1.51 -0.90 -1.55 117.35 119.61 1mfn s TYR 68 Ca -0.06 -1.17 -0.03 0.00 -1.01 0.00 0.00 57.07 54.79 1mfn s TYR 68 Cb -0.15 -1.13 0.02 0.00 -0.11 0.00 0.00 41.96 40.59 1mfn s TYR 68 CO 0.05 -0.22 -0.01 0.08 -1.11 0.00 0.00 175.55 174.33 1mfn s VAL 69 N -3.36 3.25 -0.08 0.71 1.01 0.57 -2.38 120.40 120.13 1mfn s VAL 69 Ca 0.31 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1mfn s VAL 69 Cb 0.06 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1mfn s VAL 69 CO 0.15 0.15 0.26 -0.69 0.00 0.00 0.00 175.10 174.97 1mfn s VAL 70 N 1.38 5.30 -0.03 2.92 1.01 -0.06 -1.11 120.40 129.81 1mfn s VAL 70 Ca 0.01 0.49 0.07 0.00 0.00 0.00 0.00 61.98 62.55 1mfn s VAL 70 Cb -0.17 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1mfn s VAL 70 CO -0.02 0.57 -0.25 -0.94 0.00 0.00 0.00 175.10 174.46 1mfn s SER 71 N -0.82 3.13 -0.53 3.32 1.04 0.55 -0.01 113.70 120.37 1mfn s SER 71 Ca 0.18 -0.46 -0.04 0.00 0.48 0.00 0.00 55.95 56.11 1mfn s SER 71 Cb -0.14 -0.51 0.14 0.00 0.10 0.00 0.00 66.02 65.61 1mfn s SER 71 CO 0.07 0.30 0.35 -0.63 0.98 0.00 0.00 173.24 174.31 1mfn s ILE 72 N -0.50 3.66 -0.19 -1.02 -1.09 0.37 0.19 121.20 122.62 1mfn s ILE 72 Ca 0.07 -2.48 -0.24 0.00 -2.23 0.00 0.00 60.65 55.76 1mfn s ILE 72 Cb -0.11 -3.43 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 1mfn s ILE 72 CO 0.00 -0.80 0.80 -0.63 -1.23 0.00 0.00 174.94 173.08 1mfn s ILE 73 N 0.55 4.89 -0.10 2.92 1.09 0.55 -0.97 121.20 130.13 1mfn s ILE 73 Ca 0.12 1.55 -0.11 0.00 -1.10 0.00 0.00 60.65 61.12 1mfn s ILE 73 Cb -0.22 -4.10 -0.05 0.00 -1.06 0.00 0.00 42.46 37.03 1mfn s ILE 73 CO -0.04 0.02 0.25 0.00 -0.10 0.00 0.00 174.94 175.07 1mfn s ALA 74 N 2.26 3.76 0.23 9.38 0.00 -1.26 0.20 121.76 136.33 1mfn s ALA 74 Ca 0.36 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 1mfn s ALA 74 Cb -0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1mfn s ALA 74 CO 0.11 0.46 0.18 0.14 0.00 0.00 0.00 175.76 176.65 1mfn s VAL 75 N -0.69 0.00 -0.30 0.00 -7.23 -1.23 0.21 120.40 111.14 1mfn s VAL 75 Ca 0.17 -1.96 0.18 0.00 -1.81 0.00 0.00 61.98 58.57 1mfn s VAL 75 Cb -0.13 -2.49 0.47 0.00 0.56 0.00 0.00 36.38 34.78 1mfn s VAL 75 CO 0.06 0.00 1.20 -3.20 -0.31 0.00 0.00 175.10 172.85 1mfn n ASN 76 N -0.53 0.52 0.00 4.85 5.15 -1.26 -2.94 115.26 121.06 1mfn n ASN 76 Ca 0.03 -2.26 0.00 0.00 -0.60 0.00 0.00 54.58 51.75 1mfn n ASN 76 Cb 0.65 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 1mfn n ASN 76 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mfn n GLY 77 N -0.69 1.70 0.02 8.20 0.00 -1.26 -4.45 105.19 108.71 1mfn n GLY 77 Ca 0.01 -0.73 0.01 0.00 0.00 0.00 0.00 46.02 45.31 1mfn n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mfn n ARG 78 N 0.00 5.09 -0.17 1.61 0.00 -1.26 -5.03 116.66 116.90 1mfn n ARG 78 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.74 1mfn n ARG 78 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 32.46 31.78 1mfn n ARG 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1mfn n GLU 79 N -0.84 0.59 -3.64 -0.14 -0.58 -1.26 -5.11 120.64 109.65 1mfn n GLU 79 Ca 0.01 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.67 1mfn n GLU 79 Cb 0.04 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.83 1mfn n GLU 79 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1mfn s GLU 80 N -1.79 0.70 0.52 3.49 2.02 -1.26 -4.22 118.70 118.17 1mfn s GLU 80 Ca 0.00 1.17 0.07 0.00 0.02 0.00 0.00 54.97 56.23 1mfn s GLU 80 Cb 0.00 0.16 0.09 0.00 0.10 0.00 0.00 34.13 34.48 1mfn s GLU 80 CO 0.00 -0.14 0.72 0.45 0.02 0.00 0.00 175.26 176.31 1mfn n SER 81 N 4.13 1.70 -4.72 -0.19 2.88 0.55 -4.80 113.62 113.18 1mfn n SER 81 Ca -0.20 -2.26 -0.42 0.00 -1.33 0.00 0.00 58.87 54.67 1mfn n SER 81 Cb 0.58 -0.40 -0.03 0.00 -0.75 0.00 0.00 64.21 63.61 1mfn n SER 81 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1mfn s PRO 82 N -4.35 4.53 -0.31 -1.46 0.04 -1.26 -4.33 135.00 127.86 1mfn s PRO 82 Ca 0.53 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1mfn s PRO 82 Cb -0.04 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 31.12 1mfn s PRO 82 CO 0.34 -0.08 1.20 -1.25 0.04 0.00 0.00 177.00 177.25 1mfn s PRO 83 N 0.75 3.98 -0.52 0.56 0.04 -1.26 -4.18 135.00 134.37 1mfn s PRO 83 Ca 0.54 1.15 -0.23 0.00 0.04 0.00 0.00 61.00 62.50 1mfn s PRO 83 Cb -0.25 -3.82 0.04 0.00 0.04 0.00 0.00 34.50 30.51 1mfn s PRO 83 CO 0.29 -1.03 0.84 -1.17 0.04 0.00 0.00 177.00 175.97 1mfn s LEU 84 N 4.05 4.33 0.08 -3.56 2.96 -0.15 -4.73 118.68 121.66 1mfn s LEU 84 Ca 0.51 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.91 1mfn s LEU 84 Cb -0.14 -2.77 -0.05 0.00 0.50 0.00 0.00 46.19 43.73 1mfn s LEU 84 CO 0.20 -1.09 0.36 -0.63 -1.32 0.00 0.00 176.35 173.87 1mfn s ILE 85 N 3.52 5.17 0.09 6.68 1.01 -1.26 -0.47 121.20 135.93 1mfn s ILE 85 Ca 0.27 0.25 -0.04 0.00 0.00 0.00 0.00 60.65 61.13 1mfn s ILE 85 Cb -0.14 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1mfn s ILE 85 CO 0.18 0.24 0.08 -0.83 0.00 0.00 0.00 174.94 174.61 1mfn s GLY 86 N -1.94 0.44 0.04 6.18 0.00 0.99 -4.97 107.32 108.05 1mfn s GLY 86 Ca 0.34 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1mfn s GLY 86 CO 0.19 -1.13 0.15 1.62 0.00 0.00 0.00 173.10 173.94 1mfn s GLN 87 N -3.93 3.24 0.23 2.90 0.74 -1.26 -0.89 119.66 120.70 1mfn s GLN 87 Ca 0.10 -0.48 -0.02 0.00 0.05 0.00 0.00 55.36 55.01 1mfn s GLN 87 Cb 0.07 -2.95 0.01 0.00 1.10 0.00 0.00 33.01 31.24 1mfn s GLN 87 CO -0.07 0.62 0.34 0.00 -0.55 0.00 0.00 175.29 175.63 1mfn n GLN 88 N 0.62 0.49 -3.64 1.67 -0.00 -1.00 -4.91 117.38 110.62 1mfn n GLN 88 Ca -0.08 -1.81 -0.10 0.00 -0.00 0.00 0.00 57.00 55.01 1mfn n GLN 88 Cb 0.52 1.78 -0.07 0.00 -0.00 0.00 0.00 30.24 32.47 1mfn n GLN 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1mfn s ALA 89 N -2.30 -1.84 0.32 2.61 0.00 -1.26 -2.13 121.76 117.16 1mfn s ALA 89 Ca 0.18 2.24 -0.27 0.00 0.00 0.00 0.00 51.96 54.12 1mfn s ALA 89 Cb -0.01 -1.32 -0.10 0.00 0.00 0.00 0.00 23.12 21.69 1mfn s ALA 89 CO 0.13 -0.36 0.98 0.95 0.00 0.00 0.00 175.76 177.46 1mfn s THR 90 N 1.05 4.01 0.94 0.00 -4.23 0.43 -4.85 115.64 113.00 1mfn s THR 90 Ca -0.05 1.75 -0.11 0.00 -1.18 0.00 0.00 61.69 62.09 1mfn s THR 90 Cb -0.05 -4.00 0.16 0.00 1.34 0.00 0.00 72.50 69.95 1mfn s THR 90 CO -0.10 0.21 1.10 -0.69 -0.54 0.00 0.00 174.62 174.59 1mfn s VAL 91 N -1.49 2.38 1.00 2.29 1.01 0.96 -2.16 120.40 124.39 1mfn s VAL 91 Ca 0.49 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.47 1mfn s VAL 91 Cb -0.22 -2.33 0.19 0.00 0.00 0.00 0.00 36.38 34.02 1mfn s VAL 91 CO 0.28 -0.16 1.09 -0.55 0.00 0.00 0.00 175.10 175.76 1mfn s SER 92 N -2.92 2.59 -0.06 3.32 0.15 -1.26 0.26 113.70 115.78 1mfn s SER 92 Ca 0.65 1.23 0.02 0.00 0.70 0.00 0.00 55.95 58.56 1mfn s SER 92 Cb -0.21 -1.91 -0.05 0.00 -1.71 0.00 0.00 66.02 62.14 1mfn s SER 92 CO 0.59 -3.16 -0.02 -0.90 1.20 0.00 0.00 173.24 170.95 1mfn n ASP 93 N -4.20 3.64 -4.80 5.45 5.68 -1.26 -4.21 116.55 116.85 1mfn n ASP 93 Ca 0.05 -0.02 -0.37 0.00 -0.50 0.00 0.00 54.79 53.95 1mfn n ASP 93 Cb 0.57 0.26 -0.06 0.00 -1.14 0.00 0.00 41.12 40.75 1mfn n ASP 93 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1mfn s ILE 94 N -2.12 4.43 -1.24 2.12 1.01 -1.26 -4.88 121.20 119.25 1mfn s ILE 94 Ca -0.06 1.53 -0.19 0.00 0.00 0.00 0.00 60.65 61.94 1mfn s ILE 94 Cb 0.02 -3.98 0.06 0.00 0.01 0.00 0.00 42.46 38.57 1mfn s ILE 94 CO 0.18 0.29 1.69 -2.16 0.00 0.00 0.00 174.94 174.94 1mfn s PRO 95 N -1.74 3.85 1.10 2.79 0.04 -1.26 -4.82 135.00 134.95 1mfn s PRO 95 Ca 0.42 -1.79 -0.13 0.00 0.04 0.00 0.00 61.00 59.54 1mfn s PRO 95 Cb -0.19 -5.49 0.24 0.00 0.04 0.00 0.00 34.50 29.10 1mfn s PRO 95 CO 0.23 -2.32 1.06 0.50 0.04 0.00 0.00 177.00 176.51 1mfn s ARG 96 N 4.48 -0.36 0.00 4.56 3.52 -1.26 -4.27 118.95 125.62 1mfn s ARG 96 Ca 0.53 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 1mfn s ARG 96 Cb 0.03 -1.64 0.00 0.00 -1.56 0.00 0.00 34.95 31.78 1mfn s ARG 96 CO 0.05 -3.27 0.00 -3.47 -0.81 0.00 0.00 175.30 167.80 1mfn n ASP 97 N -4.56 -1.29 -4.56 -2.12 -0.08 -1.26 0.21 116.55 102.90 1mfn n ASP 97 Ca 0.05 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.92 1mfn n ASP 97 Cb 0.57 -0.45 -0.03 0.00 2.34 0.00 0.00 41.12 43.54 1mfn n ASP 97 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1mfn s LEU 98 N -0.38 3.26 0.00 -2.67 2.96 -1.25 -3.53 118.68 117.08 1mfn s LEU 98 Ca 0.00 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1mfn s LEU 98 Cb 0.00 -2.70 0.01 0.00 0.50 0.00 0.00 46.19 44.00 1mfn s LEU 98 CO 0.00 -1.93 0.31 -0.62 -1.32 0.00 0.00 176.35 172.79 1mfn n GLU 99 N 9.11 0.45 -4.43 1.98 1.02 -0.71 -4.87 120.64 123.19 1mfn n GLU 99 Ca 0.10 -1.43 -0.29 0.00 -0.02 0.00 0.00 57.16 55.52 1mfn n GLU 99 Cb 0.50 1.47 -0.13 0.00 -0.02 0.00 0.00 31.44 33.26 1mfn n GLU 99 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1mfn s VAL 100 N -2.61 2.37 -0.01 2.62 1.01 -1.26 0.08 120.40 122.61 1mfn s VAL 100 Ca 0.14 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.46 1mfn s VAL 100 Cb -0.01 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1mfn s VAL 100 CO 0.10 0.12 0.01 2.30 0.00 0.00 0.00 175.10 177.63 1mfn n ILE 101 N 0.98 0.00 -3.74 2.22 -5.35 -0.92 -4.96 119.36 107.60 1mfn n ILE 101 Ca -0.17 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.03 1mfn n ILE 101 Cb 0.53 0.64 -0.10 0.00 -1.74 0.00 0.00 39.64 38.97 1mfn n ILE 101 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mfn s ALA 102 N -1.75 -0.95 -0.15 -1.28 0.00 -1.26 -5.03 121.76 111.34 1mfn s ALA 102 Ca -0.00 0.96 -0.09 0.00 0.00 0.00 0.00 51.96 52.83 1mfn s ALA 102 Cb 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.69 1mfn s ALA 102 CO 0.02 -0.20 0.38 -1.54 0.00 0.00 0.00 175.76 174.41 1mfn s SER 103 N -0.12 -0.45 0.48 0.00 1.04 -1.26 0.12 113.70 113.52 1mfn s SER 103 Ca -0.03 0.80 0.06 0.00 0.48 0.00 0.00 55.95 57.27 1mfn s SER 103 Cb -0.03 0.71 0.03 0.00 0.10 0.00 0.00 66.02 66.83 1mfn s SER 103 CO 0.01 -0.18 0.67 0.42 0.98 0.00 0.00 173.24 175.14 1mfn s THR 104 N 1.13 2.78 -1.89 2.02 -4.23 0.67 -4.95 115.64 111.16 1mfn s THR 104 Ca -0.08 -0.90 0.15 0.00 -1.18 0.00 0.00 61.69 59.69 1mfn s THR 104 Cb -0.08 -2.88 0.41 0.00 1.34 0.00 0.00 72.50 71.29 1mfn s THR 104 CO -0.09 0.00 1.35 -0.81 -0.54 0.00 0.00 174.62 174.52 1mfn n PRO 105 N -2.06 0.43 0.00 3.99 -0.04 -1.26 -2.64 135.00 133.42 1mfn n PRO 105 Ca 0.09 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1mfn n PRO 105 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1mfn n PRO 105 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1mfn n THR 106 N -1.05 0.00 -3.55 0.52 -2.24 -1.26 -4.04 114.28 102.66 1mfn n THR 106 Ca 0.11 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.75 1mfn n THR 106 Cb 0.06 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 1mfn n THR 106 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1mfn s SER 107 N 0.00 -0.52 0.19 3.42 1.04 -1.08 -2.32 113.70 114.43 1mfn s SER 107 Ca 0.00 0.58 0.09 0.00 0.48 0.00 0.00 55.95 57.11 1mfn s SER 107 Cb 0.00 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1mfn s SER 107 CO 0.00 -0.47 -0.19 -0.76 0.98 0.00 0.00 173.24 172.80 1mfn s LEU 108 N -1.10 2.47 -0.38 2.42 1.43 -0.96 0.24 118.68 122.80 1mfn s LEU 108 Ca -0.06 -0.91 -0.10 0.00 -1.03 0.00 0.00 54.13 52.03 1mfn s LEU 108 Cb -0.00 -0.90 0.04 0.00 0.03 0.00 0.00 46.19 45.36 1mfn s LEU 108 CO 0.06 -0.02 0.21 -0.22 0.23 0.00 0.00 176.35 176.61 1mfn s LEU 109 N -2.87 4.81 0.20 1.79 2.96 0.33 -0.96 118.68 124.95 1mfn s LEU 109 Ca 0.19 -1.13 -0.08 0.00 -0.22 0.00 0.00 54.13 52.89 1mfn s LEU 109 Cb -0.05 -2.01 -0.07 0.00 0.50 0.00 0.00 46.19 44.56 1mfn s LEU 109 CO 0.08 -0.42 0.50 0.27 -1.32 0.00 0.00 176.35 175.46 1mfn s ILE 110 N 1.51 5.00 -0.12 6.68 -4.36 0.58 -2.17 121.20 128.33 1mfn s ILE 110 Ca 0.02 0.34 -0.09 0.00 -0.26 0.00 0.00 60.65 60.65 1mfn s ILE 110 Cb -0.20 -3.62 0.04 0.00 1.25 0.00 0.00 42.46 39.93 1mfn s ILE 110 CO 0.05 -0.04 0.30 -0.44 0.24 0.00 0.00 174.94 175.06 1mfn s SER 111 N -2.39 -0.33 0.09 4.36 0.01 0.11 -0.08 113.70 115.48 1mfn s SER 111 Ca 0.45 0.63 0.02 0.00 1.31 0.00 0.00 55.95 58.36 1mfn s SER 111 Cb -0.11 0.58 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 1mfn s SER 111 CO 0.22 -0.13 -0.07 -1.66 0.41 0.00 0.00 173.24 172.01 1mfn s TRP 112 N 0.64 0.88 0.40 2.43 -2.14 0.12 -1.74 118.94 119.53 1mfn s TRP 112 Ca -0.04 -0.87 -0.26 0.00 2.66 0.00 0.00 56.10 57.59 1mfn s TRP 112 Cb -0.05 -0.51 -0.09 0.00 -3.10 0.00 0.00 33.47 29.72 1mfn s TRP 112 CO -0.04 -0.14 1.32 -1.83 -2.66 0.00 0.00 176.95 173.60 1mfn s GLU 113 N -3.62 4.01 -0.23 3.25 4.04 0.56 -4.70 118.70 122.01 1mfn s GLU 113 Ca 0.10 2.20 -0.29 0.00 0.04 0.00 0.00 54.97 57.02 1mfn s GLU 113 Cb 0.04 -2.80 0.01 0.00 0.02 0.00 0.00 34.13 31.39 1mfn s GLU 113 CO -0.04 -0.47 1.11 -1.25 -1.84 0.00 0.00 175.26 172.77 1mfn s PRO 114 N -2.19 4.20 0.43 -4.83 0.04 -1.26 -4.23 135.00 127.16 1mfn s PRO 114 Ca 0.56 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.76 1mfn s PRO 114 Cb -0.39 -3.70 -0.10 0.00 0.04 0.00 0.00 34.50 30.35 1mfn s PRO 114 CO 0.51 -0.72 0.98 -1.25 0.04 0.00 0.00 177.00 176.56 1mfn s PRO 115 N 3.40 4.15 -1.16 0.56 0.04 -1.26 -4.93 135.00 135.79 1mfn s PRO 115 Ca 0.47 1.25 -0.09 0.00 0.04 0.00 0.00 61.00 62.68 1mfn s PRO 115 Cb -0.16 -2.27 -0.13 0.00 0.04 0.00 0.00 34.50 31.98 1mfn s PRO 115 CO 0.10 -0.12 3.13 0.00 0.04 0.00 0.00 177.00 180.15 1mfn n ALA 116 N -0.53 7.22 -2.34 8.56 0.00 -1.26 -4.83 120.51 127.33 1mfn n ALA 116 Ca 0.07 -3.08 -0.09 0.00 0.00 0.00 0.00 53.44 50.33 1mfn n ALA 116 Cb 0.53 -3.06 -0.09 0.00 0.00 0.00 0.00 19.45 16.83 1mfn n ALA 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1mfn s VAL 117 N 1.68 0.10 -0.79 0.00 -7.23 -1.26 -2.87 120.40 110.03 1mfn s VAL 117 Ca 0.69 -1.70 -0.19 0.00 -1.81 0.00 0.00 61.98 58.97 1mfn s VAL 117 Cb 0.22 -1.89 0.13 0.00 0.56 0.00 0.00 36.38 35.40 1mfn s VAL 117 CO -0.05 -0.48 0.95 -0.44 -0.31 0.00 0.00 175.10 174.77 1mfn s SER 118 N -3.00 6.48 0.08 4.85 0.01 -1.26 -5.02 113.70 115.83 1mfn s SER 118 Ca 0.19 -1.85 -0.11 0.00 1.31 0.00 0.00 55.95 55.50 1mfn s SER 118 Cb 0.06 -2.35 -0.06 0.00 0.21 0.00 0.00 66.02 63.88 1mfn s SER 118 CO -0.01 -1.06 0.42 -0.69 0.41 0.00 0.00 173.24 172.31 1mfn s VAL 119 N 2.49 5.06 -0.18 3.43 1.01 -1.26 -4.84 120.40 126.12 1mfn s VAL 119 Ca 0.24 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.75 1mfn s VAL 119 Cb -0.12 -3.66 -0.22 0.00 0.00 0.00 0.00 36.38 32.38 1mfn s VAL 119 CO -0.03 0.31 0.11 0.54 0.00 0.00 0.00 175.10 176.03 1mfn n ARG 120 N 0.96 0.69 -3.83 2.72 5.12 -1.11 -4.83 116.66 116.40 1mfn n ARG 120 Ca -0.08 0.19 -0.06 0.00 -1.93 0.00 0.00 57.85 55.97 1mfn n ARG 120 Cb 0.52 -1.62 0.01 0.00 -1.16 0.00 0.00 32.46 30.21 1mfn n ARG 120 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1mfn s TYR 121 N -2.54 -0.00 -0.03 -1.55 -0.85 -1.08 -3.07 117.35 108.23 1mfn s TYR 121 Ca -0.25 -0.47 0.01 0.00 -0.52 0.00 0.00 57.07 55.84 1mfn s TYR 121 Cb 0.08 0.73 0.02 0.00 0.38 0.00 0.00 41.96 43.17 1mfn s TYR 121 CO 0.71 -1.16 -0.02 0.71 -1.52 0.00 0.00 175.55 174.28 1mfn s TYR 122 N -2.76 0.45 0.43 -3.49 1.51 -0.98 0.13 117.35 112.63 1mfn s TYR 122 Ca 0.16 -0.07 -0.12 0.00 -1.01 0.00 0.00 57.07 56.03 1mfn s TYR 122 Cb -0.04 -0.45 -0.07 0.00 -0.11 0.00 0.00 41.96 41.29 1mfn s TYR 122 CO 0.07 -0.12 0.82 0.50 -1.11 0.00 0.00 175.55 175.70 1mfn s ARG 123 N 0.79 3.83 -0.15 -0.62 3.52 -0.94 0.42 118.95 125.80 1mfn s ARG 123 Ca -0.09 0.60 -0.13 0.00 -0.13 0.00 0.00 55.73 55.98 1mfn s ARG 123 Cb -0.12 -2.33 0.04 0.00 -1.56 0.00 0.00 34.95 30.98 1mfn s ARG 123 CO -0.01 -0.08 0.40 0.42 -0.81 0.00 0.00 175.30 175.22 1mfn s ILE 124 N -2.41 -0.00 -0.06 4.11 1.01 -0.45 0.90 121.20 124.30 1mfn s ILE 124 Ca 0.53 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 61.18 1mfn s ILE 124 Cb -0.10 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 1mfn s ILE 124 CO 0.30 0.00 0.02 0.42 0.00 0.00 0.00 174.94 175.69 1mfn s THR 125 N 0.35 4.42 -0.27 2.92 -4.23 0.31 0.08 115.64 119.22 1mfn s THR 125 Ca -0.01 -0.31 -0.22 0.00 -1.18 0.00 0.00 61.69 59.97 1mfn s THR 125 Cb -0.03 -2.91 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 1mfn s THR 125 CO -0.01 0.52 0.70 -0.31 -0.54 0.00 0.00 174.62 174.98 1mfn s TYR 126 N -0.98 3.25 -0.32 3.99 1.51 -0.93 -2.42 117.35 121.44 1mfn s TYR 126 Ca 0.16 0.83 -0.09 0.00 -1.01 0.00 0.00 57.07 56.96 1mfn s TYR 126 Cb -0.11 -2.99 0.01 0.00 -0.11 0.00 0.00 41.96 38.75 1mfn s TYR 126 CO 0.06 -0.42 0.14 0.20 -1.11 0.00 0.00 175.55 174.42 1mfn s GLY 127 N 1.52 1.86 0.71 0.71 0.00 0.15 -1.53 107.32 110.74 1mfn s GLY 127 Ca 0.29 -1.51 -0.03 0.00 0.00 0.00 0.00 44.72 43.48 1mfn s GLY 127 CO 0.10 0.72 0.99 -0.54 0.00 0.00 0.00 173.10 174.37 1mfn s GLU 128 N 1.55 1.81 0.00 2.90 2.02 -1.26 0.26 118.70 125.98 1mfn s GLU 128 Ca 0.03 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.14 1mfn s GLU 128 Cb -0.18 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1mfn s GLU 128 CO 0.05 -1.38 0.00 0.25 0.02 0.00 0.00 175.26 174.20 1mfn n THR 129 N -2.84 0.00 0.00 3.63 -2.24 0.13 -4.46 114.28 108.50 1mfn n THR 129 Ca 0.13 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 1mfn n THR 129 Cb 0.60 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1mfn n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 130 N 0.00 0.61 0.00 3.38 0.00 -1.26 -4.76 105.19 103.17 1mfn n GLY 130 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1mfn n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mfn n GLY 131 N 0.00 0.12 2.68 -0.02 0.00 -1.26 -5.02 105.19 101.70 1mfn n GLY 131 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 1mfn n GLY 131 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mfn n ASN 132 N -1.41 -1.57 -3.63 1.61 6.94 -1.26 -5.15 115.26 110.79 1mfn n ASN 132 Ca 0.00 -2.38 -0.06 0.00 -0.02 0.00 0.00 54.58 52.12 1mfn n ASN 132 Cb 0.00 1.34 -0.06 0.00 -2.36 0.00 0.00 39.78 38.69 1mfn n ASN 132 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1mfn s SER 133 N -0.56 -0.23 0.16 0.53 1.04 -1.26 -5.17 113.70 108.21 1mfn s SER 133 Ca 0.19 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.01 1mfn s SER 133 Cb 0.27 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1mfn s SER 133 CO -0.13 -0.11 0.00 -0.81 0.98 0.00 0.00 173.24 173.17 1mfn n PRO 134 N 1.51 0.82 -0.33 4.02 -0.04 -1.26 -4.92 135.00 134.80 1mfn n PRO 134 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1mfn n PRO 134 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1mfn n PRO 134 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1mfn n VAL 135 N -0.39 0.00 -3.70 0.52 3.14 -1.26 -4.72 118.33 111.92 1mfn n VAL 135 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1mfn n VAL 135 Cb 0.00 -1.48 0.00 0.00 -1.06 0.00 0.00 33.84 31.30 1mfn n VAL 135 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1mfn n GLN 136 N -0.63 0.55 -3.58 1.45 6.02 -0.58 -4.83 117.38 115.78 1mfn n GLN 136 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 1mfn n GLN 136 Cb 0.00 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 1mfn n GLN 136 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1mfn s GLU 137 N -1.09 0.99 -0.28 -1.09 8.01 -1.26 -2.20 118.70 121.79 1mfn s GLU 137 Ca 0.00 -0.04 -0.20 0.00 0.01 0.00 0.00 54.97 54.74 1mfn s GLU 137 Cb 0.00 0.46 0.11 0.00 -4.31 0.00 0.00 34.13 30.39 1mfn s GLU 137 CO 0.00 -0.33 0.88 -0.59 0.01 0.00 0.00 175.26 175.23 1mfn s PHE 138 N -1.78 -0.70 0.96 1.61 -0.12 0.11 -4.88 117.98 113.18 1mfn s PHE 138 Ca -0.09 1.52 -0.14 0.00 -0.05 0.00 0.00 56.93 58.18 1mfn s PHE 138 Cb -0.01 0.41 0.17 0.00 -0.63 0.00 0.00 43.02 42.95 1mfn s PHE 138 CO 0.04 -0.34 1.15 0.95 -0.05 0.00 0.00 175.22 176.97 1mfn s THR 139 N 0.91 1.95 -0.00 -4.49 -4.23 -1.26 -1.34 115.64 107.17 1mfn s THR 139 Ca -0.04 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.50 1mfn s THR 139 Cb -0.05 -2.73 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 1mfn s THR 139 CO -0.11 0.00 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.18 1mfn s VAL 140 N -3.29 0.85 -0.08 2.29 1.01 0.17 -4.83 120.40 116.51 1mfn s VAL 140 Ca 0.66 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 1mfn s VAL 140 Cb -0.13 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1mfn s VAL 140 CO 0.54 0.21 1.09 -2.16 0.00 0.00 0.00 175.10 174.78 1mfn s PRO 141 N -0.33 4.39 -0.23 2.72 0.04 -1.26 -2.32 135.00 138.02 1mfn s PRO 141 Ca 0.04 1.52 -0.06 0.00 0.04 0.00 0.00 61.00 62.54 1mfn s PRO 141 Cb -0.04 -3.54 -0.21 0.00 0.04 0.00 0.00 34.50 30.74 1mfn s PRO 141 CO -0.00 -0.37 3.13 0.41 0.04 0.00 0.00 177.00 180.21 1mfn n GLY 142 N 3.21 2.93 0.37 0.56 0.00 -1.17 -3.99 105.19 107.09 1mfn n GLY 142 Ca 0.10 -1.09 0.08 0.00 0.00 0.00 0.00 46.02 45.11 1mfn n GLY 142 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mfn n SER 143 N 2.77 1.64 -3.65 1.61 3.41 -1.26 -4.98 113.62 113.16 1mfn n SER 143 Ca 0.42 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1mfn n SER 143 Cb 0.70 0.47 0.01 0.00 -0.26 0.00 0.00 64.21 65.13 1mfn n SER 143 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1mfn s LYS 144 N -1.92 0.71 -0.10 4.33 -0.14 -1.26 -5.00 119.74 116.37 1mfn s LYS 144 Ca 0.13 -0.45 0.14 0.00 -1.36 0.00 0.00 55.97 54.43 1mfn s LYS 144 Cb 0.13 0.20 0.57 0.00 -1.68 0.00 0.00 37.83 37.05 1mfn s LYS 144 CO 0.41 -0.33 1.44 0.43 -0.76 0.00 0.00 175.35 176.53 1mfn n SER 145 N -1.05 3.88 -4.28 2.83 7.64 -1.26 -4.88 113.62 116.48 1mfn n SER 145 Ca 0.00 -2.38 -0.26 0.00 1.01 0.00 0.00 58.87 57.24 1mfn n SER 145 Cb 0.59 -0.52 -0.14 0.00 -1.01 0.00 0.00 64.21 63.14 1mfn n SER 145 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1mfn s THR 146 N -1.83 1.81 0.23 0.44 -4.23 -1.26 0.11 115.64 110.91 1mfn s THR 146 Ca 0.40 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 1mfn s THR 146 Cb 0.26 -1.58 -0.05 0.00 1.34 0.00 0.00 72.50 72.47 1mfn s THR 146 CO 0.18 0.18 0.04 0.00 -0.54 0.00 0.00 174.62 174.48 1mfn s ALA 147 N -0.89 1.70 0.32 3.99 0.00 0.88 -4.95 121.76 122.81 1mfn s ALA 147 Ca 0.09 -1.78 0.08 0.00 0.00 0.00 0.00 51.96 50.35 1mfn s ALA 147 Cb -0.09 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1mfn s ALA 147 CO 0.03 -0.35 0.21 0.99 0.00 0.00 0.00 175.76 176.63 1mfn s THR 148 N -3.60 3.47 -0.40 0.00 2.01 -1.26 -0.30 115.64 115.56 1mfn s THR 148 Ca 0.31 -1.52 0.09 0.00 0.31 0.00 0.00 61.69 60.88 1mfn s THR 148 Cb 0.07 -3.12 0.28 0.00 0.01 0.00 0.00 72.50 69.74 1mfn s THR 148 CO 0.10 -0.21 0.65 -0.38 -0.69 0.00 0.00 174.62 174.09 1mfn n ILE 149 N -1.24 -0.44 -0.69 1.82 2.08 -0.13 -4.86 119.36 115.91 1mfn n ILE 149 Ca -0.03 -3.77 0.00 0.00 0.56 0.00 0.00 62.75 59.51 1mfn n ILE 149 Cb 0.60 -0.92 0.00 0.00 -0.75 0.00 0.00 39.64 38.57 1mfn n ILE 149 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1mfn n ASN 150 N 1.06 -0.13 -3.99 4.38 4.13 -1.26 -2.26 115.26 117.19 1mfn n ASN 150 Ca 0.20 -0.69 -0.31 0.00 1.68 0.00 0.00 54.58 55.47 1mfn n ASN 150 Cb 0.59 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.83 1mfn n ASN 150 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1mfn n ASN 151 N -2.25 -3.60 -4.82 6.41 2.85 -1.10 -4.85 115.26 107.91 1mfn n ASN 151 Ca 0.00 -0.87 -0.22 0.00 -0.11 0.00 0.00 54.58 53.38 1mfn n ASN 151 Cb 0.00 -3.49 -0.04 0.00 1.24 0.00 0.00 39.78 37.49 1mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1mfn s ILE 152 N -3.40 4.40 -0.20 -1.44 2.07 -0.98 -5.06 121.20 116.60 1mfn s ILE 152 Ca 0.56 -1.43 -0.17 0.00 -1.41 0.00 0.00 60.65 58.21 1mfn s ILE 152 Cb -0.29 -3.38 -0.04 0.00 0.13 0.00 0.00 42.46 38.88 1mfn s ILE 152 CO 0.86 -0.35 0.43 -0.54 -1.91 0.00 0.00 174.94 173.43 1mfn s LYS 153 N -3.84 4.18 0.25 3.50 1.02 -1.26 -4.74 119.74 118.87 1mfn s LYS 153 Ca 0.33 0.27 -0.30 0.00 0.02 0.00 0.00 55.97 56.29 1mfn s LYS 153 Cb -0.08 -3.54 -0.09 0.00 -0.52 0.00 0.00 37.83 33.60 1mfn s LYS 153 CO 0.25 -0.06 0.98 -1.25 -0.92 0.00 0.00 175.35 174.34 1mfn s PRO 154 N 1.36 4.79 -0.23 -1.68 0.04 -1.26 -4.29 135.00 133.73 1mfn s PRO 154 Ca 0.21 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1mfn s PRO 154 Cb -0.15 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 1mfn s PRO 154 CO 0.08 0.44 0.21 0.41 0.04 0.00 0.00 177.00 178.18 1mfn n GLY 155 N 1.37 0.10 0.00 0.56 0.00 -0.71 -5.06 105.19 101.45 1mfn n GLY 155 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1mfn n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfn n ALA 156 N -1.69 0.00 -0.78 4.61 0.00 0.14 -4.98 120.51 117.82 1mfn n ALA 156 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 1mfn n ALA 156 Cb 0.52 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.10 1mfn n ALA 156 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mfn n ASP 157 N 0.00 -2.71 -0.79 0.00 -0.08 -1.26 -2.31 116.55 109.40 1mfn n ASP 157 Ca 0.00 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1mfn n ASP 157 Cb 0.00 -0.87 0.00 0.00 2.34 0.00 0.00 41.12 42.59 1mfn n ASP 157 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1mfn n TYR 158 N -3.99 -0.26 -3.09 -0.67 4.02 0.61 0.23 117.16 114.01 1mfn n TYR 158 Ca 0.01 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.93 1mfn n TYR 158 Cb 0.64 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.96 1mfn n TYR 158 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1mfn s THR 159 N -2.19 -0.58 -0.07 -0.72 2.01 0.72 -2.49 115.64 112.32 1mfn s THR 159 Ca 0.00 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 1mfn s THR 159 Cb 0.00 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.09 1mfn s THR 159 CO 0.00 0.00 0.47 -0.63 -0.69 0.00 0.00 174.62 173.77 1mfn s ILE 160 N 2.54 5.11 0.15 1.82 1.01 0.18 0.34 121.20 132.35 1mfn s ILE 160 Ca 0.18 0.96 0.05 0.00 0.00 0.00 0.00 60.65 61.84 1mfn s ILE 160 Cb -0.04 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1mfn s ILE 160 CO -0.20 0.40 -0.10 -0.89 0.00 0.00 0.00 174.94 174.15 1mfn s THR 161 N 0.11 1.21 -0.02 2.92 2.01 -1.02 0.28 115.64 121.13 1mfn s THR 161 Ca 0.26 -2.07 -0.17 0.00 0.31 0.00 0.00 61.69 60.03 1mfn s THR 161 Cb -0.16 -1.85 0.03 0.00 0.01 0.00 0.00 72.50 70.53 1mfn s THR 161 CO 0.12 -0.73 0.35 -1.48 -0.69 0.00 0.00 174.62 172.19 1mfn s LEU 162 N -3.16 0.67 -0.62 4.42 0.05 -0.75 -0.53 118.68 118.76 1mfn s LEU 162 Ca 0.17 0.16 0.05 0.00 0.05 0.00 0.00 54.13 54.55 1mfn s LEU 162 Cb 0.02 1.42 0.17 0.00 -2.05 0.00 0.00 46.19 45.76 1mfn s LEU 162 CO 0.01 -0.47 0.46 -1.22 -0.55 0.00 0.00 176.35 174.58 1mfn n TYR 163 N 1.22 2.03 -1.62 3.48 4.02 0.26 -2.51 117.16 124.03 1mfn n TYR 163 Ca -0.21 -4.01 -0.59 0.00 -0.01 0.00 0.00 57.90 53.08 1mfn n TYR 163 Cb 0.56 -0.37 -0.08 0.00 -0.02 0.00 0.00 39.34 39.44 1mfn n TYR 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1mfn n ALA 164 N 2.16 -1.69 -2.74 -0.72 0.00 -1.26 -2.21 120.51 114.05 1mfn n ALA 164 Ca 0.23 0.51 -0.33 0.00 0.00 0.00 0.00 53.44 53.85 1mfn n ALA 164 Cb 0.39 -1.98 -0.13 0.00 0.00 0.00 0.00 19.45 17.73 1mfn n ALA 164 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mfn s VAL 165 N 1.55 3.22 -0.18 0.00 1.01 0.12 -3.26 120.40 122.86 1mfn s VAL 165 Ca 0.94 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1mfn s VAL 165 Cb -1.19 -2.31 -0.13 0.00 0.00 0.00 0.00 36.38 32.75 1mfn s VAL 165 CO 0.62 0.56 -0.13 0.35 0.00 0.00 0.00 175.10 176.49 1mfn n THR 166 N 2.82 1.04 -2.91 3.92 -2.24 -1.23 -2.63 114.28 113.05 1mfn n THR 166 Ca -0.18 -0.43 -0.33 0.00 -2.27 0.00 0.00 64.05 60.85 1mfn n THR 166 Cb 0.52 -1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 67.62 1mfn n THR 166 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1mfn s GLY 167 N -5.63 2.33 -0.14 3.38 0.00 -1.26 -4.25 107.32 101.75 1mfn s GLY 167 Ca -0.22 0.23 -0.14 0.00 0.00 0.00 0.00 44.72 44.59 1mfn s GLY 167 CO 0.44 0.48 0.39 0.50 0.00 0.00 0.00 173.10 174.92 1mfn s ARG 168 N -3.20 0.48 0.00 2.90 0.52 -1.26 -4.23 118.95 114.15 1mfn s ARG 168 Ca 0.59 0.50 0.00 0.00 -0.52 0.00 0.00 55.73 56.29 1mfn s ARG 168 Cb -0.10 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.60 1mfn s ARG 168 CO 0.17 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.83 1mfn n GLY 169 N 2.75 2.00 2.76 -3.53 0.00 -1.26 -4.83 105.19 103.08 1mfn n GLY 169 Ca -0.14 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 1mfn n GLY 169 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mfn n ASP 170 N 0.00 0.46 0.00 1.61 2.03 -1.26 -4.97 116.55 114.43 1mfn n ASP 170 Ca 0.00 -2.20 0.00 0.00 0.52 0.00 0.00 54.79 53.11 1mfn n ASP 170 Cb 0.00 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 1mfn n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1mfn n SER 171 N -0.79 0.00 -4.56 1.67 7.64 -1.26 -5.11 113.62 111.21 1mfn n SER 171 Ca -0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1mfn n SER 171 Cb 0.83 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.00 1mfn n SER 171 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mfn s PRO 172 N 0.00 3.22 0.83 1.43 0.04 -1.26 -4.54 135.00 134.71 1mfn s PRO 172 Ca 0.00 0.13 -0.09 0.00 0.04 0.00 0.00 61.00 61.08 1mfn s PRO 172 Cb 0.00 -4.16 0.14 0.00 0.04 0.00 0.00 34.50 30.52 1mfn s PRO 172 CO 0.00 -2.07 1.15 0.00 0.04 0.00 0.00 177.00 176.12 1mfn s ALA 173 N 6.05 2.90 -0.29 8.56 0.00 -1.26 -4.94 121.76 132.78 1mfn s ALA 173 Ca 0.45 -1.28 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 1mfn s ALA 173 Cb -0.09 -2.51 0.12 0.00 0.00 0.00 0.00 23.12 20.64 1mfn s ALA 173 CO 0.20 -1.86 0.83 -1.54 0.00 0.00 0.00 175.76 173.39 1mfn s SER 174 N -4.75 -0.76 1.18 0.00 1.04 -1.26 -3.48 113.70 105.66 1mfn s SER 174 Ca 0.68 1.18 -0.18 0.00 0.48 0.00 0.00 55.95 58.12 1mfn s SER 174 Cb -0.06 1.45 0.22 0.00 0.10 0.00 0.00 66.02 67.73 1mfn s SER 174 CO 0.48 -0.18 0.43 -1.54 0.98 0.00 0.00 173.24 173.41 1mfn n SER 175 N 4.28 -2.91 -4.53 7.02 3.41 -1.20 -4.74 113.62 114.96 1mfn n SER 175 Ca -0.17 -0.39 -0.49 0.00 -0.26 0.00 0.00 58.87 57.56 1mfn n SER 175 Cb 0.57 -0.94 -0.04 0.00 -0.26 0.00 0.00 64.21 63.54 1mfn n SER 175 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1mfn n LYS 176 N -3.21 0.79 -2.65 4.33 4.76 -1.26 -4.69 118.16 116.23 1mfn n LYS 176 Ca 0.05 0.28 -0.37 0.00 -2.87 0.00 0.00 58.31 55.40 1mfn n LYS 176 Cb 0.52 -1.62 -0.05 0.00 -1.84 0.00 0.00 35.03 32.04 1mfn n LYS 176 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1mfn s PRO 177 N -0.80 4.39 -0.09 1.97 0.04 -1.26 -4.86 135.00 134.38 1mfn s PRO 177 Ca 0.69 1.44 0.04 0.00 0.04 0.00 0.00 61.00 63.21 1mfn s PRO 177 Cb -0.87 -2.69 -0.00 0.00 0.04 0.00 0.00 34.50 30.97 1mfn s PRO 177 CO 0.56 0.07 -0.23 0.08 0.04 0.00 0.00 177.00 177.52 1mfn s VAL 178 N -1.62 1.99 0.22 -0.36 1.01 -1.04 -4.93 120.40 115.67 1mfn s VAL 178 Ca 0.54 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.63 1mfn s VAL 178 Cb -0.21 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1mfn s VAL 178 CO 0.26 0.55 -0.19 -0.94 0.00 0.00 0.00 175.10 174.79 1mfn s SER 179 N 0.29 3.10 0.02 3.32 1.04 -1.26 -1.81 113.70 118.41 1mfn s SER 179 Ca -0.16 -0.97 -0.10 0.00 0.48 0.00 0.00 55.95 55.19 1mfn s SER 179 Cb -0.17 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.73 1mfn s SER 179 CO 0.08 -0.02 0.20 0.27 0.98 0.00 0.00 173.24 174.74 1mfn s ILE 180 N -2.44 0.10 0.26 -1.02 -4.36 0.14 -4.96 121.20 108.92 1mfn s ILE 180 Ca 0.24 -0.79 -0.05 0.00 -0.26 0.00 0.00 60.65 59.79 1mfn s ILE 180 Cb -0.04 -0.77 -0.05 0.00 1.25 0.00 0.00 42.46 42.85 1mfn s ILE 180 CO 0.10 -0.44 0.51 0.20 0.24 0.00 0.00 174.94 175.56 1mfn s ASN 181 N -1.83 6.45 -0.06 4.36 0.01 -1.26 0.48 114.94 123.09 1mfn s ASN 181 Ca -0.08 0.67 -0.02 0.00 -0.71 0.00 0.00 52.86 52.71 1mfn s ASN 181 Cb -0.03 -2.12 0.04 0.00 0.41 0.00 0.00 41.25 39.54 1mfn s ASN 181 CO -0.02 -0.14 0.10 -0.47 -1.51 0.00 0.00 177.10 175.06 1mfn s TYR 182 N -2.00 -0.07 -0.42 2.20 5.04 -1.04 -4.84 117.35 116.22 1mfn s TYR 182 Ca 0.43 0.39 -0.23 0.00 -2.44 0.00 0.00 57.07 55.22 1mfn s TYR 182 Cb -0.11 -0.28 0.02 0.00 0.35 0.00 0.00 41.96 41.94 1mfn s TYR 182 CO 0.29 -0.19 0.80 0.15 -1.34 0.00 0.00 175.55 175.26 1mfn s LYS 183 N 1.80 3.53 0.00 4.97 3.01 -1.26 0.22 119.74 132.02 1mfn s LYS 183 Ca -0.01 0.06 0.28 0.00 -1.01 0.00 0.00 55.97 55.29 1mfn s LYS 183 Cb -0.12 -3.89 1.04 0.00 -1.01 0.00 0.00 37.83 33.84 1mfn s LYS 183 CO -0.04 -1.04 1.74 0.25 0.51 0.00 0.00 175.35 176.76