#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 -4.80 0.99 4.32 -1.26 -5.07 117.00 111.18 1mfn n LEU 2 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.77 1mfn n LEU 2 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 1mfn n LEU 2 CO 0.00 0.00 -0.14 -1.81 -1.22 0.00 0.00 177.39 174.22 1mfn s ASP 3 N 0.48 5.06 -0.27 -1.43 1.11 -1.26 -4.86 116.67 115.51 1mfn s ASP 3 Ca 0.00 -0.58 -0.15 0.00 0.18 0.00 0.00 52.55 52.00 1mfn s ASP 3 Cb 0.00 -0.92 -0.04 0.00 1.07 0.00 0.00 42.92 43.04 1mfn s ASP 3 CO 0.00 -0.29 0.38 -0.44 1.18 0.00 0.00 175.17 176.00 1mfn s SER 4 N -3.92 6.27 -0.85 0.27 0.01 -1.26 -4.66 113.70 109.57 1mfn s SER 4 Ca 0.39 0.32 -0.25 0.00 1.31 0.00 0.00 55.95 57.71 1mfn s SER 4 Cb -0.05 -2.22 0.03 0.00 0.21 0.00 0.00 66.02 63.99 1mfn s SER 4 CO 0.25 -0.18 1.44 -2.16 0.41 0.00 0.00 173.24 172.99 1mfn s PRO 5 N 2.04 3.25 0.00 12.44 0.04 -1.26 -4.74 135.00 146.77 1mfn s PRO 5 Ca 0.16 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 60.70 1mfn s PRO 5 Cb -0.16 -4.70 0.00 0.00 0.04 0.00 0.00 34.50 29.68 1mfn s PRO 5 CO 0.10 -2.31 0.00 0.25 0.04 0.00 0.00 177.00 175.08 1mfn n THR 6 N 6.75 0.00 -2.38 1.26 -2.24 -1.25 -4.37 114.28 112.04 1mfn n THR 6 Ca 0.18 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.92 1mfn n THR 6 Cb 0.50 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 4.77 -0.43 3.64 3.38 0.00 -1.26 -1.00 105.19 114.29 1mfn n GLY 7 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.67 2.04 -3.64 1.61 -0.00 -1.26 -3.18 117.46 110.36 1mfn n PHE 8 Ca -0.05 0.38 -0.07 0.00 -0.00 0.00 0.00 57.45 57.72 1mfn n PHE 8 Cb 0.50 -2.48 -0.07 0.00 -0.00 0.00 0.00 39.48 37.44 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 0.80 -0.64 -0.03 -2.13 -1.08 -0.93 -4.90 116.67 107.76 1mfn s ASP 9 Ca 0.81 1.10 0.06 0.00 -0.52 0.00 0.00 52.55 54.00 1mfn s ASP 9 Cb -0.77 1.20 -0.02 0.00 -1.46 0.00 0.00 42.92 41.87 1mfn s ASP 9 CO 0.41 -0.18 -0.22 -0.44 0.52 0.00 0.00 175.17 175.26 1mfn s SER 10 N 0.97 3.35 0.00 -0.34 0.01 -1.26 0.22 113.70 116.65 1mfn s SER 10 Ca -0.05 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1mfn s SER 10 Cb -0.05 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.63 1mfn s SER 10 CO -0.11 0.32 0.00 -1.54 0.41 0.00 0.00 173.24 172.31 1mfn n SER 11 N 2.47 0.00 -4.33 2.44 3.41 -0.78 -4.93 113.62 111.91 1mfn n SER 11 Ca -0.17 -0.94 -0.34 0.00 -0.26 0.00 0.00 58.87 57.17 1mfn n SER 11 Cb 0.51 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.38 1mfn n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mfn n ASP 12 N -1.56 -0.14 -4.71 4.04 9.92 -1.26 -1.10 116.55 121.74 1mfn n ASP 12 Ca 0.00 -1.22 -0.42 0.00 -0.53 0.00 0.00 54.79 52.62 1mfn n ASP 12 Cb 0.00 -1.84 -0.03 0.00 -0.64 0.00 0.00 41.12 38.61 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 -3.99 4.48 0.49 0.53 -1.09 -1.26 -0.41 121.20 119.95 1mfn s ILE 13 Ca 0.25 1.82 0.02 0.00 -2.23 0.00 0.00 60.65 60.52 1mfn s ILE 13 Cb -0.15 -4.17 -0.02 0.00 -1.58 0.00 0.00 42.46 36.54 1mfn s ILE 13 CO 0.99 0.16 0.02 -0.89 -1.23 0.00 0.00 174.94 173.99 1mfn s THR 14 N 0.87 1.34 0.00 2.92 2.01 0.80 -4.69 115.64 118.88 1mfn s THR 14 Ca 0.54 -1.98 0.00 0.00 0.31 0.00 0.00 61.69 60.55 1mfn s THR 14 Cb -0.25 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 69.94 1mfn s THR 14 CO 0.29 0.00 0.45 0.00 -0.69 0.00 0.00 174.62 174.67 1mfn n ALA 15 N -1.22 -0.22 1.30 7.40 0.00 -1.26 -2.35 120.51 124.15 1mfn n ALA 15 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.42 1mfn n ALA 15 Cb 0.67 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.80 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 -2.00 0.10 -4.12 0.00 3.02 -1.26 -3.14 115.26 107.86 1mfn n ASN 16 Ca 0.00 -0.05 -0.10 0.00 -0.03 0.00 0.00 54.58 54.40 1mfn n ASN 16 Cb 0.00 -0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 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 -2.68 0.84 -0.28 6.41 0.15 -1.25 0.11 113.70 117.00 1mfn s SER 17 Ca 0.24 -0.91 -0.25 0.00 0.70 0.00 0.00 55.95 55.73 1mfn s SER 17 Cb 0.20 0.12 0.12 0.00 -1.71 0.00 0.00 66.02 64.75 1mfn s SER 17 CO 0.49 -0.46 1.02 0.72 1.20 0.00 0.00 173.24 176.21 1mfn s PHE 18 N -3.27 -0.49 0.44 3.44 -0.12 -0.56 0.28 117.98 117.70 1mfn s PHE 18 Ca 0.06 1.18 -0.12 0.00 -0.05 0.00 0.00 56.93 58.00 1mfn s PHE 18 Cb 0.03 0.36 -0.07 0.00 -0.63 0.00 0.00 43.02 42.71 1mfn s PHE 18 CO -0.05 -0.23 0.83 0.99 -0.05 0.00 0.00 175.22 176.70 1mfn s THR 19 N 0.25 4.72 0.42 -4.49 2.01 0.45 -1.61 115.64 117.38 1mfn s THR 19 Ca 0.03 0.77 0.03 0.00 0.31 0.00 0.00 61.69 62.84 1mfn s THR 19 Cb -0.05 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1mfn s THR 19 CO -0.06 -0.58 0.11 -0.69 -0.69 0.00 0.00 174.62 172.71 1mfn s VAL 20 N -2.46 0.70 0.18 3.82 1.01 0.79 -1.86 120.40 122.58 1mfn s VAL 20 Ca 0.53 -2.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.33 1mfn s VAL 20 Cb -0.10 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 33.97 1mfn s VAL 20 CO 0.32 0.00 0.53 -1.00 0.00 0.00 0.00 175.10 174.95 1mfn s HIS 21 N -3.17 -0.19 0.00 5.22 3.76 0.59 -2.08 115.29 119.43 1mfn s HIS 21 Ca 0.22 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 1mfn s HIS 21 Cb 0.03 0.41 0.00 0.00 1.11 0.00 0.00 32.58 34.13 1mfn s HIS 21 CO 0.13 -0.89 0.00 -2.67 -0.85 0.00 0.00 174.74 170.46 1mfn n TRP 22 N -0.34 0.00 -1.50 1.40 2.14 -0.16 -2.19 117.44 116.79 1mfn n TRP 22 Ca -0.11 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.17 1mfn n TRP 22 Cb 0.63 0.00 0.14 0.00 -0.81 0.00 0.00 31.31 31.27 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 -1.29 2.04 0.35 -1.67 1.01 -0.17 -4.71 120.40 115.96 1mfn s VAL 23 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.06 1mfn s VAL 23 Cb 0.00 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1mfn s VAL 23 CO 0.00 -0.02 0.42 0.00 0.00 0.00 0.00 175.10 175.50 1mfn s ALA 24 N -3.24 4.13 1.00 5.51 0.00 -1.26 -3.97 121.76 123.93 1mfn s ALA 24 Ca 0.64 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1mfn s ALA 24 Cb -0.15 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1mfn s ALA 24 CO 0.54 -0.05 0.00 -0.35 0.00 0.00 0.00 175.76 175.89 1mfn n PRO 25 N -1.57 0.45 -0.58 0.00 -0.04 -1.26 -4.70 135.00 127.30 1mfn n PRO 25 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1mfn n PRO 25 Cb 0.59 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.25 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 -0.51 1.88 -4.31 0.54 1.74 -1.26 -5.00 116.66 109.74 1mfn n ARG 26 Ca 0.00 -3.06 -0.16 0.00 -0.77 0.00 0.00 57.85 53.86 1mfn n ARG 26 Cb 0.00 -1.73 -0.10 0.00 -1.02 0.00 0.00 32.46 29.61 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 -3.11 1.71 0.18 7.54 0.00 -1.26 -5.01 121.76 121.81 1mfn s ALA 27 Ca 0.41 -1.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.21 1mfn s ALA 27 Cb 0.37 1.03 -0.07 0.00 0.00 0.00 0.00 23.12 24.44 1mfn s ALA 27 CO 0.00 -0.45 1.02 -1.25 0.00 0.00 0.00 175.76 175.08 1mfn s PRO 28 N -4.03 4.69 0.05 0.00 0.04 -1.26 -5.02 135.00 129.47 1mfn s PRO 28 Ca 0.37 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1mfn s PRO 28 Cb 0.08 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 1mfn s PRO 28 CO 0.13 0.22 0.07 0.44 0.04 0.00 0.00 177.00 177.90 1mfn n ILE 29 N 2.23 0.00 -0.33 0.56 -5.35 -1.26 -4.93 119.36 110.28 1mfn n ILE 29 Ca 0.01 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1mfn n ILE 29 Cb 0.47 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.55 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 -0.09 0.43 0.00 7.28 -2.24 -1.14 -4.88 114.28 113.63 1mfn n THR 30 Ca 0.01 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1mfn n THR 30 Cb 0.09 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.21 2.58 3.09 3.38 0.00 -1.19 -3.66 105.19 109.17 1mfn n GLY 31 Ca 0.00 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.71 2.17 -0.15 1.61 1.51 0.11 -2.33 117.35 118.56 1mfn s TYR 32 Ca 0.00 -1.05 -0.29 0.00 -1.01 0.00 0.00 57.07 54.72 1mfn s TYR 32 Cb 0.00 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 1mfn s TYR 32 CO 0.00 -0.52 1.28 0.42 -1.11 0.00 0.00 175.55 175.62 1mfn s ILE 33 N 0.94 4.24 -0.19 2.71 -1.09 0.50 -1.52 121.20 126.78 1mfn s ILE 33 Ca -0.07 1.50 -0.11 0.00 -2.23 0.00 0.00 60.65 59.75 1mfn s ILE 33 Cb -0.15 -3.97 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 1mfn s ILE 33 CO -0.02 -0.12 0.16 -0.63 -1.23 0.00 0.00 174.94 173.11 1mfn s ILE 34 N 3.41 5.39 -0.19 2.92 -1.09 0.55 0.20 121.20 132.39 1mfn s ILE 34 Ca 0.56 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1mfn s ILE 34 Cb -0.23 -3.50 0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1mfn s ILE 34 CO 0.16 0.42 -0.17 -0.60 -1.23 0.00 0.00 174.94 173.52 1mfn s ARG 35 N 0.42 3.01 0.17 2.79 3.52 0.77 1.00 118.95 130.62 1mfn s ARG 35 Ca 0.10 -0.82 -0.08 0.00 -0.13 0.00 0.00 55.73 54.80 1mfn s ARG 35 Cb -0.11 -2.64 -0.06 0.00 -1.56 0.00 0.00 34.95 30.57 1mfn s ARG 35 CO -0.01 -0.22 0.45 -1.58 -0.81 0.00 0.00 175.30 173.13 1mfn s HIS 36 N 1.31 3.48 0.00 5.12 5.65 -0.84 0.20 115.29 130.20 1mfn s HIS 36 Ca 0.05 0.72 0.00 0.00 0.25 0.00 0.00 55.06 56.08 1mfn s HIS 36 Cb -0.13 -2.13 0.00 0.00 -1.18 0.00 0.00 32.58 29.13 1mfn s HIS 36 CO -0.11 0.39 0.00 -2.39 -0.65 0.00 0.00 174.74 171.97 1mfn n HIS 37 N 0.14 0.00 0.00 3.88 -0.00 -0.20 -2.30 115.22 116.75 1mfn n HIS 37 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 1mfn n HIS 37 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 1mfn n HIS 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1mfn n ALA 38 N -0.03 0.00 -1.77 1.59 0.00 -1.26 0.20 120.51 119.24 1mfn n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mfn n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1mfn n ALA 38 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1mfn n GLU 39 N -0.98 0.00 0.00 0.00 0.28 -1.26 -3.86 120.64 114.82 1mfn n GLU 39 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 1mfn n GLU 39 Cb 0.00 0.00 0.66 0.00 1.43 0.00 0.00 31.44 33.53 1mfn n GLU 39 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 1mfn n HIS 40 N 0.00 0.00 -3.24 -1.84 1.44 -1.26 -4.40 115.22 105.91 1mfn n HIS 40 Ca 0.00 0.00 -0.46 0.00 -2.01 0.00 0.00 57.72 55.25 1mfn n HIS 40 Cb 0.00 -0.05 -0.03 0.00 0.12 0.00 0.00 29.99 30.03 1mfn n HIS 40 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1mfn s SER 41 N -2.11 6.66 -0.72 4.39 1.04 -1.26 -4.92 113.70 116.78 1mfn s SER 41 Ca 0.32 -2.42 -0.06 0.00 0.48 0.00 0.00 55.95 54.27 1mfn s SER 41 Cb 0.16 -2.25 -0.12 0.00 0.10 0.00 0.00 66.02 63.90 1mfn s SER 41 CO 0.28 -0.72 2.64 0.52 0.98 0.00 0.00 173.24 176.95 1mfn n VAL 42 N 4.44 2.85 0.00 5.02 0.31 -1.26 -4.22 118.33 125.47 1mfn n VAL 42 Ca 0.12 -1.61 0.00 0.00 -0.01 0.00 0.00 64.34 62.84 1mfn n VAL 42 Cb 0.46 -2.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 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 3.24 -0.75 3.01 2.92 0.00 -1.26 -4.89 105.19 107.47 1mfn n GLY 43 Ca 0.48 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 1mfn n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mfn s ARG 44 N 0.00 1.54 -0.08 1.61 0.52 -1.26 -5.08 118.95 116.20 1mfn s ARG 44 Ca 0.00 -1.98 -0.30 0.00 -0.52 0.00 0.00 55.73 52.94 1mfn s ARG 44 Cb 0.00 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.23 1mfn s ARG 44 CO 0.00 -0.96 1.11 -1.25 0.02 0.00 0.00 175.30 174.21 1mfn s PRO 45 N 0.74 4.39 0.75 3.54 0.04 -1.26 -4.91 135.00 138.28 1mfn s PRO 45 Ca 0.12 1.54 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 1mfn s PRO 45 Cb -0.20 -3.55 0.13 0.00 0.04 0.00 0.00 34.50 30.93 1mfn s PRO 45 CO -0.07 -0.38 1.04 1.03 0.04 0.00 0.00 177.00 178.65 1mfn s ARG 46 N 2.11 1.56 -0.19 4.56 0.52 -0.97 -4.90 118.95 121.64 1mfn s ARG 46 Ca 0.52 -0.98 -0.02 0.00 -0.52 0.00 0.00 55.73 54.73 1mfn s ARG 46 Cb -0.22 -2.26 0.06 0.00 0.52 0.00 0.00 34.95 33.05 1mfn s ARG 46 CO 0.20 -1.57 0.01 -0.65 0.02 0.00 0.00 175.30 173.31 1mfn s GLN 47 N -5.24 0.90 -0.16 3.54 -0.21 -1.26 -1.99 119.66 115.24 1mfn s GLN 47 Ca 0.67 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.55 1mfn s GLN 47 Cb -0.05 -2.12 -0.00 0.00 1.00 0.00 0.00 33.01 31.83 1mfn s GLN 47 CO 0.45 -0.59 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.37 1mfn s ASP 48 N 1.76 3.67 0.26 5.90 1.11 0.28 -4.98 116.67 124.66 1mfn s ASP 48 Ca -0.01 -0.47 0.07 0.00 0.18 0.00 0.00 52.55 52.31 1mfn s ASP 48 Cb -0.17 -1.57 -0.03 0.00 1.07 0.00 0.00 42.92 42.22 1mfn s ASP 48 CO -0.07 0.08 0.25 -0.13 1.18 0.00 0.00 175.17 176.48 1mfn s ARG 49 N 0.85 3.03 0.06 8.23 1.81 -1.26 0.21 118.95 131.89 1mfn s ARG 49 Ca -0.04 -1.01 -0.04 0.00 -1.72 0.00 0.00 55.73 52.92 1mfn s ARG 49 Cb -0.15 -2.64 -0.03 0.00 -0.45 0.00 0.00 34.95 31.68 1mfn s ARG 49 CO -0.01 0.37 0.05 0.14 -0.68 0.00 0.00 175.30 175.17 1mfn s VAL 50 N -2.12 0.19 0.97 3.52 -7.23 -0.58 -4.80 120.40 110.36 1mfn s VAL 50 Ca 0.34 -1.58 -0.15 0.00 -1.81 0.00 0.00 61.98 58.79 1mfn s VAL 50 Cb -0.08 -1.45 0.18 0.00 0.56 0.00 0.00 36.38 35.59 1mfn s VAL 50 CO 0.26 -0.87 1.20 -2.16 -0.31 0.00 0.00 175.10 173.22 1mfn s PRO 51 N -3.88 0.62 0.31 4.82 0.04 -1.26 -0.71 135.00 134.93 1mfn s PRO 51 Ca 0.06 -0.04 0.16 0.00 0.04 0.00 0.00 61.00 61.22 1mfn s PRO 51 Cb 0.07 -1.81 0.30 0.00 0.04 0.00 0.00 34.50 33.10 1mfn s PRO 51 CO -0.10 -2.49 1.55 -1.00 0.04 0.00 0.00 177.00 175.00 1mfn h PRO 52 N -1.70 0.00 -0.01 0.56 0.13 -1.86 -3.09 132.00 126.03 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 0.49 -0.14 -1.13 -0.23 0.00 0.00 178.00 177.48 1mfn n SER 53 N -3.35 1.12 -4.46 1.44 3.41 -1.26 -4.75 113.62 105.77 1mfn n SER 53 Ca 0.01 -1.09 -0.42 0.00 -0.26 0.00 0.00 58.87 57.12 1mfn n SER 53 Cb 0.66 0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.56 1mfn n SER 53 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1mfn s ARG 54 N -2.30 3.10 0.00 4.33 3.00 -1.17 -4.90 118.95 121.01 1mfn s ARG 54 Ca 0.30 -0.92 0.24 0.00 0.00 0.00 0.00 55.73 55.36 1mfn s ARG 54 Cb 0.20 -3.87 0.35 0.00 0.00 0.00 0.00 34.95 31.63 1mfn s ARG 54 CO 0.44 -0.65 1.30 0.27 0.00 0.00 0.00 175.30 176.67 1mfn n ASN 55 N 5.11 0.80 -4.31 0.23 6.94 -1.26 -4.70 115.26 118.07 1mfn n ASN 55 Ca -0.12 -0.61 -0.24 0.00 -0.02 0.00 0.00 54.58 53.59 1mfn n ASN 55 Cb 0.48 0.41 -0.12 0.00 -2.36 0.00 0.00 39.78 38.19 1mfn n ASN 55 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1mfn s SER 56 N -2.88 2.67 -0.03 0.53 1.04 -1.26 -0.99 113.70 112.78 1mfn s SER 56 Ca 0.13 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 55.86 1mfn s SER 56 Cb 0.17 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.16 1mfn s SER 56 CO 0.70 0.07 -0.05 -0.51 0.98 0.00 0.00 173.24 174.43 1mfn s ILE 57 N -1.23 0.49 -0.52 -1.02 2.07 -0.88 -4.86 121.20 115.25 1mfn s ILE 57 Ca 0.08 -0.15 -0.17 0.00 -1.41 0.00 0.00 60.65 59.00 1mfn s ILE 57 Cb -0.10 -0.49 0.09 0.00 0.13 0.00 0.00 42.46 42.10 1mfn s ILE 57 CO 0.05 0.19 0.53 -0.89 -1.91 0.00 0.00 174.94 172.90 1mfn s THR 58 N 0.56 5.08 0.48 4.00 2.01 -1.26 -0.15 115.64 126.36 1mfn s THR 58 Ca -0.07 -1.08 -0.10 0.00 0.31 0.00 0.00 61.69 60.75 1mfn s THR 58 Cb -0.11 -4.29 -0.06 0.00 0.01 0.00 0.00 72.50 68.06 1mfn s THR 58 CO -0.00 -0.81 0.85 -0.76 -0.69 0.00 0.00 174.62 173.21 1mfn s LEU 59 N 2.01 3.65 0.00 4.42 1.02 -0.64 -4.84 118.68 124.30 1mfn s LEU 59 Ca 0.07 1.20 0.04 0.00 0.02 0.00 0.00 54.13 55.46 1mfn s LEU 59 Cb -0.25 -4.13 -0.02 0.00 0.02 0.00 0.00 46.19 41.81 1mfn s LEU 59 CO 0.06 -0.55 0.36 0.35 0.02 0.00 0.00 176.35 176.59 1mfn n THR 60 N -1.82 0.00 -1.41 5.49 -2.24 -1.25 -1.50 114.28 111.54 1mfn n THR 60 Ca 0.03 -2.19 -0.15 0.00 -2.27 0.00 0.00 64.05 59.48 1mfn n THR 60 Cb 0.54 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.88 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 -1.67 -4.25 -4.96 3.42 3.02 -0.67 -4.82 115.26 105.33 1mfn n ASN 61 Ca 0.05 0.37 -0.23 0.00 -0.03 0.00 0.00 54.58 54.74 1mfn n ASN 61 Cb 0.60 -3.77 0.03 0.00 -0.61 0.00 0.00 39.78 36.03 1mfn n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1mfn s LEU 62 N -3.82 3.31 0.05 3.41 1.43 0.30 -5.02 118.68 118.34 1mfn s LEU 62 Ca 0.00 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 1mfn s LEU 62 Cb 0.00 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.14 1mfn s LEU 62 CO 0.00 -1.08 1.07 0.21 0.23 0.00 0.00 176.35 176.78 1mfn s ASN 63 N -4.37 7.26 0.10 2.29 3.84 -1.26 -4.12 114.94 118.68 1mfn s ASN 63 Ca 0.55 1.85 -0.30 0.00 0.21 0.00 0.00 52.86 55.17 1mfn s ASN 63 Cb -0.10 -2.58 -0.06 0.00 -0.55 0.00 0.00 41.25 37.96 1mfn s ASN 63 CO 0.40 -0.32 1.00 -2.16 -2.79 0.00 0.00 177.10 173.23 1mfn s PRO 64 N 0.80 4.64 -0.31 0.43 0.04 -1.19 -4.18 135.00 135.24 1mfn s PRO 64 Ca 0.54 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 1mfn s PRO 64 Cb -0.25 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 1mfn s PRO 64 CO 0.29 0.12 0.28 0.41 0.04 0.00 0.00 177.00 178.14 1mfn n GLY 65 N 2.37 0.01 3.54 0.56 0.00 0.87 -4.80 105.19 107.74 1mfn n GLY 65 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 1mfn n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mfn s THR 66 N -3.09 0.00 -0.68 2.61 2.01 -0.99 -4.84 115.64 110.65 1mfn s THR 66 Ca 0.11 -0.02 -0.23 0.00 0.31 0.00 0.00 61.69 61.86 1mfn s THR 66 Cb -0.01 -0.97 0.07 0.00 0.01 0.00 0.00 72.50 71.60 1mfn s THR 66 CO 0.24 -0.01 1.00 -1.61 -0.69 0.00 0.00 174.62 173.54 1mfn s GLU 67 N -0.53 3.15 -0.27 4.92 2.02 -1.26 0.75 118.70 127.48 1mfn s GLU 67 Ca -0.06 -0.87 -0.09 0.00 0.02 0.00 0.00 54.97 53.97 1mfn s GLU 67 Cb -0.02 -4.29 -0.04 0.00 0.10 0.00 0.00 34.13 29.89 1mfn s GLU 67 CO 0.06 -1.84 0.13 0.71 0.02 0.00 0.00 175.26 174.34 1mfn s TYR 68 N 4.08 3.15 -0.14 1.61 2.02 0.53 -4.13 117.35 124.47 1mfn s TYR 68 Ca 0.24 -0.21 -0.29 0.00 -0.37 0.00 0.00 57.07 56.44 1mfn s TYR 68 Cb -0.15 -2.31 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 1mfn s TYR 68 CO 0.09 -0.28 1.60 0.08 -1.57 0.00 0.00 175.55 175.46 1mfn s VAL 69 N 1.68 3.71 -0.42 0.71 1.01 0.54 -1.83 120.40 125.79 1mfn s VAL 69 Ca 0.07 0.83 -0.18 0.00 0.00 0.00 0.00 61.98 62.70 1mfn s VAL 69 Cb -0.16 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1mfn s VAL 69 CO 0.07 -0.16 0.46 -0.69 0.00 0.00 0.00 175.10 174.77 1mfn s VAL 70 N 4.50 5.06 -0.46 2.92 1.01 0.18 -1.03 120.40 132.58 1mfn s VAL 70 Ca 0.71 -0.31 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 1mfn s VAL 70 Cb -0.28 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.07 1mfn s VAL 70 CO 0.28 -0.44 0.95 -0.94 0.00 0.00 0.00 175.10 174.94 1mfn s SER 71 N 1.83 6.52 -0.22 3.32 1.04 0.54 -2.03 113.70 124.70 1mfn s SER 71 Ca 0.13 0.17 -0.29 0.00 0.48 0.00 0.00 55.95 56.44 1mfn s SER 71 Cb -0.17 -2.46 0.01 0.00 0.10 0.00 0.00 66.02 63.50 1mfn s SER 71 CO 0.14 -1.07 1.04 -0.63 0.98 0.00 0.00 173.24 173.70 1mfn s ILE 72 N 3.83 4.69 0.01 -1.02 -1.09 0.11 -0.17 121.20 127.56 1mfn s ILE 72 Ca 0.38 2.03 0.04 0.00 -2.23 0.00 0.00 60.65 60.88 1mfn s ILE 72 Cb -0.10 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.44 1mfn s ILE 72 CO 0.27 -0.16 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.08 1mfn s ILE 73 N 3.07 3.37 -0.19 2.92 1.09 0.55 0.20 121.20 132.21 1mfn s ILE 73 Ca 0.45 -0.88 -0.07 0.00 -1.10 0.00 0.00 60.65 59.04 1mfn s ILE 73 Cb -0.15 -2.44 -0.04 0.00 -1.06 0.00 0.00 42.46 38.77 1mfn s ILE 73 CO 0.07 0.39 0.06 0.00 -0.10 0.00 0.00 174.94 175.36 1mfn s ALA 74 N -0.96 3.34 -0.04 9.38 0.00 -1.26 0.19 121.76 132.41 1mfn s ALA 74 Ca 0.16 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1mfn s ALA 74 Cb -0.11 -1.91 0.02 0.00 0.00 0.00 0.00 23.12 21.12 1mfn s ALA 74 CO 0.06 0.10 -0.06 0.14 0.00 0.00 0.00 175.76 176.00 1mfn s VAL 75 N 0.53 0.63 -0.75 0.00 -7.23 -0.99 -2.30 120.40 110.29 1mfn s VAL 75 Ca 0.03 -0.19 -0.02 0.00 -1.81 0.00 0.00 61.98 59.99 1mfn s VAL 75 Cb -0.13 -0.62 0.40 0.00 0.56 0.00 0.00 36.38 36.59 1mfn s VAL 75 CO 0.01 0.24 2.04 -3.20 -0.31 0.00 0.00 175.10 173.88 1mfn n ASN 76 N 3.91 7.62 0.00 4.85 4.05 -1.25 -2.87 115.26 131.56 1mfn n ASN 76 Ca -0.24 -3.80 0.00 0.00 0.45 0.00 0.00 54.58 50.99 1mfn n ASN 76 Cb 0.51 -1.02 0.00 0.00 1.23 0.00 0.00 39.78 40.50 1mfn n ASN 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1mfn n GLY 77 N -0.72 2.25 0.00 8.20 0.00 -1.26 -4.12 105.19 109.54 1mfn n GLY 77 Ca 0.58 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1mfn n GLY 77 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1mfn n ARG 78 N 0.00 0.09 -0.51 1.61 1.85 -1.26 -5.08 116.66 113.36 1mfn n ARG 78 Ca 0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 57.85 56.49 1mfn n ARG 78 Cb 0.00 -0.65 0.00 0.00 -1.05 0.00 0.00 32.46 30.76 1mfn n ARG 78 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1mfn n GLU 79 N -0.05 2.28 -1.65 2.89 1.02 -1.26 -5.15 120.64 118.72 1mfn n GLU 79 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1mfn n GLU 79 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 1mfn n GLU 79 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1mfn n GLU 80 N -0.37 0.00 -3.75 3.49 1.02 -1.26 -3.88 120.64 115.89 1mfn n GLU 80 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1mfn n GLU 80 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 1mfn n GLU 80 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1mfn n SER 81 N -2.38 -1.08 -4.64 1.62 7.64 -0.97 -4.71 113.62 109.09 1mfn n SER 81 Ca 0.00 -1.24 -0.43 0.00 1.01 0.00 0.00 58.87 58.21 1mfn n SER 81 Cb 0.00 1.68 -0.02 0.00 -1.01 0.00 0.00 64.21 64.86 1mfn n SER 81 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mfn s PRO 82 N -2.01 4.01 0.39 1.43 0.04 -1.26 -4.47 135.00 133.12 1mfn s PRO 82 Ca 0.26 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 62.32 1mfn s PRO 82 Cb -0.01 -3.82 -0.10 0.00 0.04 0.00 0.00 34.50 30.62 1mfn s PRO 82 CO -0.00 -1.00 0.98 -1.25 0.04 0.00 0.00 177.00 175.77 1mfn s PRO 83 N 3.91 4.30 -0.37 0.56 0.04 -1.25 -4.50 135.00 137.69 1mfn s PRO 83 Ca 0.53 1.32 -0.07 0.00 0.04 0.00 0.00 61.00 62.82 1mfn s PRO 83 Cb -0.16 -2.49 0.06 0.00 0.04 0.00 0.00 34.50 31.95 1mfn s PRO 83 CO 0.19 0.02 0.16 -1.17 0.04 0.00 0.00 177.00 176.24 1mfn s LEU 84 N -2.66 4.63 0.25 -3.56 2.96 0.54 -4.85 118.68 115.99 1mfn s LEU 84 Ca 0.57 -1.31 -0.14 0.00 -0.22 0.00 0.00 54.13 53.03 1mfn s LEU 84 Cb -0.17 -1.90 -0.08 0.00 0.50 0.00 0.00 46.19 44.54 1mfn s LEU 84 CO 0.21 -0.40 0.65 -0.63 -1.32 0.00 0.00 176.35 174.86 1mfn s ILE 85 N 1.39 4.76 0.15 6.68 1.01 -1.26 0.06 121.20 133.98 1mfn s ILE 85 Ca 0.01 0.86 -0.18 0.00 0.00 0.00 0.00 60.65 61.34 1mfn s ILE 85 Cb -0.21 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.62 1mfn s ILE 85 CO 0.02 -0.00 0.47 -0.83 0.00 0.00 0.00 174.94 174.60 1mfn s GLY 86 N -2.08 -0.29 -0.03 6.18 0.00 -0.86 -4.91 107.32 105.33 1mfn s GLY 86 Ca 0.47 0.01 -0.06 0.00 0.00 0.00 0.00 44.72 45.14 1mfn s GLY 86 CO 0.19 -0.21 0.22 1.20 0.00 0.00 0.00 173.10 174.51 1mfn s GLN 87 N -3.81 3.52 -0.04 2.90 1.11 -1.26 0.48 119.66 122.56 1mfn s GLN 87 Ca 0.04 -0.13 -0.03 0.00 0.01 0.00 0.00 55.36 55.25 1mfn s GLN 87 Cb 0.01 -3.12 0.02 0.00 -1.01 0.00 0.00 33.01 28.90 1mfn s GLN 87 CO -0.10 0.69 0.09 -1.14 0.01 0.00 0.00 175.29 174.85 1mfn s GLN 88 N -1.58 0.09 -0.21 2.91 -0.44 -0.76 -4.85 119.66 114.82 1mfn s GLN 88 Ca 0.24 0.17 -0.06 0.00 -2.50 0.00 0.00 55.36 53.21 1mfn s GLN 88 Cb -0.13 -0.01 -0.03 0.00 -1.64 0.00 0.00 33.01 31.20 1mfn s GLN 88 CO 0.13 -0.05 0.02 0.00 0.50 0.00 0.00 175.29 175.89 1mfn s ALA 89 N 0.32 3.09 0.23 1.58 0.00 -1.26 0.20 121.76 125.93 1mfn s ALA 89 Ca -0.02 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 1mfn s ALA 89 Cb -0.03 -1.84 -0.09 0.00 0.00 0.00 0.00 23.12 21.15 1mfn s ALA 89 CO -0.01 -0.18 1.10 0.95 0.00 0.00 0.00 175.76 177.62 1mfn s THR 90 N 1.06 3.64 0.48 0.00 -4.23 0.23 -4.83 115.64 111.99 1mfn s THR 90 Ca 0.03 1.54 -0.20 0.00 -1.18 0.00 0.00 61.69 61.87 1mfn s THR 90 Cb -0.14 -3.98 -0.11 0.00 1.34 0.00 0.00 72.50 69.61 1mfn s THR 90 CO 0.02 0.32 0.52 0.52 -0.54 0.00 0.00 174.62 175.47 1mfn n VAL 91 N 1.72 1.89 -2.94 2.29 0.31 -0.99 -1.96 118.33 118.66 1mfn n VAL 91 Ca 0.01 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.48 1mfn n VAL 91 Cb 0.45 -0.60 -0.01 0.00 -0.91 0.00 0.00 33.84 32.77 1mfn n VAL 91 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1mfn n SER 92 N 0.99 5.87 -2.00 4.52 2.88 -1.26 0.30 113.62 124.92 1mfn n SER 92 Ca 0.11 -3.57 -0.15 0.00 -1.33 0.00 0.00 58.87 53.93 1mfn n SER 92 Cb 0.43 -0.98 -0.03 0.00 -0.75 0.00 0.00 64.21 62.88 1mfn n SER 92 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1mfn n ASP 93 N 0.43 -4.22 -4.77 -3.46 9.92 -1.26 -4.46 116.55 108.73 1mfn n ASP 93 Ca 0.35 0.23 -0.39 0.00 -0.53 0.00 0.00 54.79 54.45 1mfn n ASP 93 Cb 0.33 -3.69 -0.03 0.00 -0.64 0.00 0.00 41.12 37.09 1mfn n ASP 93 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1mfn s ILE 94 N -2.53 3.28 0.00 0.53 1.01 -1.26 -4.32 121.20 117.91 1mfn s ILE 94 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 60.65 61.85 1mfn s ILE 94 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1mfn s ILE 94 CO 0.00 0.22 0.00 -0.81 0.00 0.00 0.00 174.94 174.35 1mfn n PRO 95 N 0.69 0.67 -3.59 2.79 -0.04 -1.26 -2.88 135.00 131.37 1mfn n PRO 95 Ca 0.01 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.43 1mfn n PRO 95 Cb 0.45 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.89 1mfn n PRO 95 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1mfn s ARG 96 N -0.92 0.34 -0.44 0.54 1.70 -1.21 -4.82 118.95 114.14 1mfn s ARG 96 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 55.73 55.13 1mfn s ARG 96 Cb 0.00 0.16 0.00 0.00 -0.57 0.00 0.00 34.95 34.54 1mfn s ARG 96 CO 0.00 -0.15 0.00 -3.47 -1.08 0.00 0.00 175.30 170.60 1mfn n ASP 97 N -0.11 -3.66 -4.50 -2.89 2.03 -1.26 0.26 116.55 106.42 1mfn n ASP 97 Ca -0.00 0.10 -0.43 0.00 0.52 0.00 0.00 54.79 54.98 1mfn n ASP 97 Cb 0.58 -1.53 -0.08 0.00 -0.72 0.00 0.00 41.12 39.38 1mfn n ASP 97 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1mfn n LEU 98 N -0.47 1.74 -4.30 -2.67 7.94 -1.26 -4.34 117.00 113.64 1mfn n LEU 98 Ca -0.04 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.70 1mfn n LEU 98 Cb 0.16 -1.30 -0.10 0.00 0.53 0.00 0.00 43.42 42.71 1mfn n LEU 98 CO 0.06 -1.04 -0.39 -1.83 -1.11 0.00 0.00 177.39 173.08 1mfn s GLU 99 N 7.72 1.21 0.01 1.96 -1.05 -0.95 -4.91 118.70 122.70 1mfn s GLU 99 Ca 1.12 -1.56 -0.06 0.00 -0.15 0.00 0.00 54.97 54.32 1mfn s GLU 99 Cb -0.70 -0.74 -0.05 0.00 -0.44 0.00 0.00 34.13 32.20 1mfn s GLU 99 CO 0.40 0.04 0.27 0.54 0.95 0.00 0.00 175.26 177.46 1mfn s VAL 100 N -3.27 5.31 0.00 1.83 0.11 -1.26 -0.98 120.40 122.14 1mfn s VAL 100 Ca 0.22 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 1mfn s VAL 100 Cb 0.03 -3.57 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 1mfn s VAL 100 CO 0.05 0.36 0.19 2.30 -3.33 0.00 0.00 175.10 174.66 1mfn n ILE 101 N 1.09 0.00 -3.20 7.04 -5.35 -0.85 -4.93 119.36 113.16 1mfn n ILE 101 Ca -0.11 -0.31 0.01 0.00 -0.27 0.00 0.00 62.75 62.07 1mfn n ILE 101 Cb 0.53 1.24 -0.02 0.00 -1.74 0.00 0.00 39.64 39.64 1mfn n ILE 101 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mfn s ALA 102 N -0.24 -2.01 -0.42 -1.28 0.00 -1.26 -4.90 121.76 111.65 1mfn s ALA 102 Ca 0.00 1.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.16 1mfn s ALA 102 Cb 0.00 -2.19 0.06 0.00 0.00 0.00 0.00 23.12 20.99 1mfn s ALA 102 CO 0.00 -1.50 0.28 0.45 0.00 0.00 0.00 175.76 174.99 1mfn s SER 103 N 2.77 5.83 0.47 0.00 0.15 -1.26 0.13 113.70 121.78 1mfn s SER 103 Ca 0.15 -1.29 0.02 0.00 0.70 0.00 0.00 55.95 55.53 1mfn s SER 103 Cb -0.13 -2.06 0.01 0.00 -1.71 0.00 0.00 66.02 62.13 1mfn s SER 103 CO -0.23 -0.52 0.68 0.42 1.20 0.00 0.00 173.24 174.79 1mfn s THR 104 N 1.53 3.56 -1.74 6.45 -4.23 0.51 -4.95 115.64 116.76 1mfn s THR 104 Ca 0.03 -0.62 0.14 0.00 -1.18 0.00 0.00 61.69 60.06 1mfn s THR 104 Cb -0.22 -3.30 0.33 0.00 1.34 0.00 0.00 72.50 70.65 1mfn s THR 104 CO 0.05 -0.20 1.31 -0.81 -0.54 0.00 0.00 174.62 174.43 1mfn n PRO 105 N -2.10 0.33 -0.19 3.99 -0.04 -1.26 -2.75 135.00 132.98 1mfn n PRO 105 Ca 0.04 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1mfn n PRO 105 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1mfn n PRO 105 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1mfn n THR 106 N -1.13 0.00 -3.65 0.52 -2.24 -1.26 -4.12 114.28 102.39 1mfn n THR 106 Ca 0.09 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.86 1mfn n THR 106 Cb 0.08 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.22 -0.12 0.04 3.42 1.04 -1.11 -2.23 113.70 114.52 1mfn s SER 107 Ca 0.00 -0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.17 1mfn s SER 107 Cb 0.00 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 1mfn s SER 107 CO 0.00 -0.50 0.12 -0.76 0.98 0.00 0.00 173.24 173.08 1mfn s LEU 108 N -2.86 1.72 -0.07 2.42 1.43 -0.83 0.19 118.68 120.68 1mfn s LEU 108 Ca 0.13 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 1mfn s LEU 108 Cb 0.02 0.68 -0.05 0.00 0.03 0.00 0.00 46.19 46.87 1mfn s LEU 108 CO -0.02 -0.53 0.26 -0.76 0.23 0.00 0.00 176.35 175.52 1mfn s LEU 109 N -2.17 4.43 -0.07 1.79 1.43 0.35 -1.50 118.68 122.95 1mfn s LEU 109 Ca -0.04 0.68 0.04 0.00 -1.03 0.00 0.00 54.13 53.78 1mfn s LEU 109 Cb -0.01 -2.30 -0.00 0.00 0.03 0.00 0.00 46.19 43.91 1mfn s LEU 109 CO -0.05 0.37 -0.21 0.27 0.23 0.00 0.00 176.35 176.96 1mfn s ILE 110 N -1.06 1.79 -0.20 -0.59 -4.36 -0.39 -2.01 121.20 114.38 1mfn s ILE 110 Ca 0.19 -0.89 -0.01 0.00 -0.26 0.00 0.00 60.65 59.68 1mfn s ILE 110 Cb -0.14 -1.54 0.06 0.00 1.25 0.00 0.00 42.46 42.09 1mfn s ILE 110 CO 0.08 0.50 -0.01 -0.55 0.24 0.00 0.00 174.94 175.21 1mfn s SER 111 N 0.18 3.12 0.04 4.36 0.15 -0.15 -0.73 113.70 120.68 1mfn s SER 111 Ca -0.11 -0.87 0.08 0.00 0.70 0.00 0.00 55.95 55.75 1mfn s SER 111 Cb -0.15 -0.82 -0.03 0.00 -1.71 0.00 0.00 66.02 63.32 1mfn s SER 111 CO 0.05 -0.26 -0.22 -1.66 1.20 0.00 0.00 173.24 172.35 1mfn s TRP 112 N 1.69 1.92 1.12 3.44 -2.14 -0.33 -2.23 118.94 122.40 1mfn s TRP 112 Ca -0.02 -0.38 -0.16 0.00 2.66 0.00 0.00 56.10 58.20 1mfn s TRP 112 Cb -0.17 -1.15 0.17 0.00 -3.10 0.00 0.00 33.47 29.22 1mfn s TRP 112 CO -0.07 0.10 0.44 0.39 -2.66 0.00 0.00 176.95 175.14 1mfn n GLU 113 N 1.84 -1.79 -2.43 3.25 -0.58 0.72 -4.72 120.64 116.94 1mfn n GLU 113 Ca -0.17 -0.50 -0.37 0.00 -0.42 0.00 0.00 57.16 55.71 1mfn n GLU 113 Cb 0.53 -1.90 -0.03 0.00 -0.57 0.00 0.00 31.44 29.47 1mfn n GLU 113 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1mfn s PRO 114 N -3.84 3.98 0.29 3.49 0.04 -1.26 -3.31 135.00 134.38 1mfn s PRO 114 Ca 0.61 1.61 -0.05 0.00 0.04 0.00 0.00 61.00 63.21 1mfn s PRO 114 Cb -0.18 -2.46 0.07 0.00 0.04 0.00 0.00 34.50 31.97 1mfn s PRO 114 CO 0.66 -0.33 0.32 -0.35 0.04 0.00 0.00 177.00 177.34 1mfn n PRO 115 N -0.29 -0.92 0.06 0.56 -0.04 -1.26 -4.53 135.00 128.58 1mfn n PRO 115 Ca 0.06 -0.50 0.09 0.00 -0.04 0.00 0.00 63.50 63.11 1mfn n PRO 115 Cb 0.49 -0.39 0.39 0.00 -0.04 0.00 0.00 33.50 33.95 1mfn n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mfn n ALA 116 N -3.35 1.66 -3.00 0.55 0.00 -1.14 -4.86 120.51 110.37 1mfn n ALA 116 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1mfn n ALA 116 Cb 0.15 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1mfn n ALA 116 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1mfn n VAL 117 N -1.82 0.00 -1.53 0.00 0.24 -1.26 -4.35 118.33 109.60 1mfn n VAL 117 Ca 0.03 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.03 1mfn n VAL 117 Cb 0.20 0.00 0.23 0.00 -1.47 0.00 0.00 33.84 32.79 1mfn n VAL 117 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1mfn s SER 118 N 0.18 1.74 -0.23 -1.34 1.04 -1.26 -4.91 113.70 108.93 1mfn s SER 118 Ca 0.00 0.31 -0.17 0.00 0.48 0.00 0.00 55.95 56.57 1mfn s SER 118 Cb 0.00 -0.34 0.06 0.00 0.10 0.00 0.00 66.02 65.84 1mfn s SER 118 CO 0.00 -3.59 0.58 -0.69 0.98 0.00 0.00 173.24 170.52 1mfn s VAL 119 N -3.53 -0.01 0.04 5.02 1.01 -1.26 -4.82 120.40 116.85 1mfn s VAL 119 Ca 0.75 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.57 1mfn s VAL 119 Cb -0.05 -0.82 -0.21 0.00 0.00 0.00 0.00 36.38 35.31 1mfn s VAL 119 CO 0.55 0.01 1.18 0.03 0.00 0.00 0.00 175.10 176.87 1mfn h ARG 120 N 6.13 0.53 -2.61 2.72 2.47 -1.51 -3.44 114.38 118.67 1mfn h ARG 120 Ca -0.31 -0.50 0.12 0.00 -1.26 0.00 0.00 59.98 58.04 1mfn h ARG 120 Cb 1.19 0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 29.60 1mfn h ARG 120 CO 0.18 1.13 0.48 1.52 0.56 0.00 0.00 179.97 183.84 1mfn s TYR 121 N -3.46 0.02 0.11 3.04 1.13 -1.08 -3.58 117.35 113.54 1mfn s TYR 121 Ca -0.12 -0.47 0.01 0.00 -1.41 0.00 0.00 57.07 55.08 1mfn s TYR 121 Cb 0.05 0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 41.59 1mfn s TYR 121 CO 0.85 -1.06 -0.03 0.71 -2.51 0.00 0.00 175.55 173.51 1mfn s TYR 122 N -2.53 0.91 -0.36 -3.49 1.51 -0.98 0.74 117.35 113.15 1mfn s TYR 122 Ca 0.18 -1.00 0.04 0.00 -1.01 0.00 0.00 57.07 55.28 1mfn s TYR 122 Cb -0.03 -0.53 0.10 0.00 -0.11 0.00 0.00 41.96 41.39 1mfn s TYR 122 CO 0.06 -0.24 0.08 1.03 -1.11 0.00 0.00 175.55 175.37 1mfn s ARG 123 N -3.89 1.49 0.28 -0.62 0.52 0.16 0.19 118.95 117.09 1mfn s ARG 123 Ca 0.15 -1.92 -0.20 0.00 -0.52 0.00 0.00 55.73 53.25 1mfn s ARG 123 Cb 0.06 -3.15 -0.09 0.00 0.52 0.00 0.00 34.95 32.29 1mfn s ARG 123 CO -0.03 -0.96 0.78 0.42 0.02 0.00 0.00 175.30 175.53 1mfn s ILE 124 N 0.81 4.53 0.17 1.52 1.01 0.53 0.19 121.20 129.95 1mfn s ILE 124 Ca 0.12 1.30 0.11 0.00 0.00 0.00 0.00 60.65 62.17 1mfn s ILE 124 Cb -0.20 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1mfn s ILE 124 CO -0.08 0.04 -0.24 0.42 0.00 0.00 0.00 174.94 175.08 1mfn s THR 125 N -1.72 2.23 -0.26 2.92 -4.23 0.54 0.18 115.64 115.30 1mfn s THR 125 Ca 0.49 -1.92 -0.10 0.00 -1.18 0.00 0.00 61.69 58.98 1mfn s THR 125 Cb -0.14 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 1mfn s THR 125 CO 0.20 -0.09 0.14 -0.31 -0.54 0.00 0.00 174.62 174.02 1mfn s TYR 126 N -1.53 3.21 -0.29 3.99 1.51 0.62 -2.54 117.35 122.33 1mfn s TYR 126 Ca 0.18 -0.00 -0.09 0.00 -1.01 0.00 0.00 57.07 56.15 1mfn s TYR 126 Cb -0.08 -2.29 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 1mfn s TYR 126 CO 0.08 -0.14 0.12 0.20 -1.11 0.00 0.00 175.55 174.70 1mfn s GLY 127 N 1.46 1.83 0.65 0.71 0.00 0.17 -2.54 107.32 109.59 1mfn s GLY 127 Ca 0.07 -1.28 -0.04 0.00 0.00 0.00 0.00 44.72 43.46 1mfn s GLY 127 CO 0.07 0.63 0.93 -0.54 0.00 0.00 0.00 173.10 174.19 1mfn s GLU 128 N 1.61 2.36 0.00 2.90 2.02 -1.26 0.25 118.70 126.58 1mfn s GLU 128 Ca 0.05 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.64 1mfn s GLU 128 Cb -0.16 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.79 1mfn s GLU 128 CO 0.05 -1.03 0.44 0.25 0.02 0.00 0.00 175.26 174.99 1mfn n THR 129 N -2.71 0.00 0.00 3.63 -2.24 0.21 -2.40 114.28 110.76 1mfn n THR 129 Ca 0.08 0.86 0.00 0.00 -2.27 0.00 0.00 64.05 62.72 1mfn n THR 129 Cb 0.60 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 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 -0.92 -3.14 0.70 3.38 0.00 -1.26 -4.81 105.19 99.13 1mfn n GLY 130 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.99 3.33 0.00 -0.02 0.00 -1.01 -4.85 105.19 101.65 1mfn n GLY 131 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.03 0.00 -4.50 1.61 0.23 -1.26 -4.73 115.26 106.64 1mfn n ASN 132 Ca 0.00 0.02 -0.25 0.00 -0.53 0.00 0.00 54.58 53.82 1mfn n ASN 132 Cb 0.00 -0.27 0.14 0.00 -2.08 0.00 0.00 39.78 37.57 1mfn n ASN 132 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1mfn n SER 133 N -1.27 1.15 -4.56 0.53 3.41 -1.26 -4.98 113.62 106.65 1mfn n SER 133 Ca 0.08 -2.05 -0.38 0.00 -0.26 0.00 0.00 58.87 56.26 1mfn n SER 133 Cb 0.12 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.30 1mfn n SER 133 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1mfn s PRO 134 N -5.33 3.27 0.99 4.33 0.04 -1.26 -4.99 135.00 132.04 1mfn s PRO 134 Ca 0.70 -0.68 -0.16 0.00 0.04 0.00 0.00 61.00 60.90 1mfn s PRO 134 Cb -0.04 -5.00 -0.05 0.00 0.04 0.00 0.00 34.50 29.46 1mfn s PRO 134 CO 0.47 -2.43 -0.23 1.33 0.04 0.00 0.00 177.00 176.18 1mfn n VAL 135 N 6.97 0.00 -3.74 -0.36 0.24 -1.26 -4.93 118.33 115.24 1mfn n VAL 135 Ca 0.27 -0.31 -0.37 0.00 -2.04 0.00 0.00 64.34 61.88 1mfn n VAL 135 Cb 0.50 -0.33 -0.12 0.00 -1.47 0.00 0.00 33.84 32.41 1mfn n VAL 135 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1mfn s GLN 136 N -2.87 3.23 0.25 7.34 -1.52 -1.05 -4.79 119.66 120.25 1mfn s GLN 136 Ca 0.49 -0.77 0.12 0.00 -1.95 0.00 0.00 55.36 53.24 1mfn s GLN 136 Cb -0.17 -3.40 -0.05 0.00 -0.22 0.00 0.00 33.01 29.17 1mfn s GLN 136 CO 0.74 -0.40 -0.20 -1.83 -0.25 0.00 0.00 175.29 173.35 1mfn s GLU 137 N 1.54 1.67 0.10 2.91 -1.05 -1.26 0.23 118.70 122.83 1mfn s GLU 137 Ca 0.04 -1.67 -0.02 0.00 -0.15 0.00 0.00 54.97 53.17 1mfn s GLU 137 Cb -0.17 -1.82 -0.04 0.00 -0.44 0.00 0.00 34.13 31.67 1mfn s GLU 137 CO 0.03 0.36 0.04 -0.59 0.95 0.00 0.00 175.26 176.05 1mfn s PHE 138 N -2.22 0.66 0.13 4.83 -0.71 0.13 -4.94 117.98 115.85 1mfn s PHE 138 Ca 0.27 -1.11 -0.02 0.00 -1.04 0.00 0.00 56.93 55.03 1mfn s PHE 138 Cb -0.06 -0.40 0.03 0.00 -1.21 0.00 0.00 43.02 41.38 1mfn s PHE 138 CO 0.14 -0.47 0.14 0.25 -1.34 0.00 0.00 175.22 173.93 1mfn n THR 139 N -0.01 0.00 -3.72 -4.49 -2.24 -1.26 -0.35 114.28 102.21 1mfn n THR 139 Ca -0.10 -0.08 -0.12 0.00 -2.27 0.00 0.00 64.05 61.48 1mfn n THR 139 Cb 0.62 -1.44 -0.11 0.00 -2.10 0.00 0.00 70.33 67.30 1mfn n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1mfn s VAL 140 N -1.28 -0.02 -0.27 2.28 1.01 0.51 -4.44 120.40 118.18 1mfn s VAL 140 Ca 0.08 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 1mfn s VAL 140 Cb -0.01 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.86 1mfn s VAL 140 CO 0.06 0.03 1.15 -2.16 0.00 0.00 0.00 175.10 174.18 1mfn s PRO 141 N 0.89 4.10 -0.56 2.72 0.04 -1.26 -2.32 135.00 138.61 1mfn s PRO 141 Ca -0.06 1.26 -0.05 0.00 0.04 0.00 0.00 61.00 62.19 1mfn s PRO 141 Cb -0.06 -3.75 -0.10 0.00 0.04 0.00 0.00 34.50 30.62 1mfn s PRO 141 CO -0.07 -0.87 2.24 0.41 0.04 0.00 0.00 177.00 178.75 1mfn n GLY 142 N 3.83 2.76 0.59 0.56 0.00 -1.23 -4.02 105.19 107.66 1mfn n GLY 142 Ca 0.13 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.42 1mfn n GLY 142 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mfn n SER 143 N 3.55 2.18 -3.74 1.61 7.64 -1.26 -5.02 113.62 118.58 1mfn n SER 143 Ca 0.38 -1.59 0.02 0.00 1.01 0.00 0.00 58.87 58.69 1mfn n SER 143 Cb 0.31 0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1mfn n SER 143 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1mfn n LYS 144 N 0.60 0.22 -0.43 1.43 5.02 -1.26 -5.00 118.16 118.74 1mfn n LYS 144 Ca 0.09 -0.82 0.08 0.00 -2.02 0.00 0.00 58.31 55.64 1mfn n LYS 144 Cb 0.40 1.31 0.27 0.00 -0.02 0.00 0.00 35.03 37.00 1mfn n LYS 144 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1mfn n SER 145 N -1.08 3.59 -4.31 4.39 7.64 -1.26 -4.89 113.62 117.70 1mfn n SER 145 Ca 0.04 -2.26 -0.22 0.00 1.01 0.00 0.00 58.87 57.43 1mfn n SER 145 Cb 0.57 -0.48 -0.12 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.66 1.74 0.23 0.44 -4.23 -1.26 -1.19 115.64 109.71 1mfn s THR 146 Ca 0.39 -1.74 -0.02 0.00 -1.18 0.00 0.00 61.69 59.14 1mfn s THR 146 Cb 0.24 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 72.36 1mfn s THR 146 CO 0.20 -0.21 0.23 0.00 -0.54 0.00 0.00 174.62 174.30 1mfn s ALA 147 N -1.66 1.01 0.19 3.99 0.00 0.10 -4.96 121.76 120.43 1mfn s ALA 147 Ca 0.11 -1.61 0.08 0.00 0.00 0.00 0.00 51.96 50.54 1mfn s ALA 147 Cb -0.08 1.34 -0.04 0.00 0.00 0.00 0.00 23.12 24.34 1mfn s ALA 147 CO 0.05 -0.65 0.02 -0.08 0.00 0.00 0.00 175.76 175.09 1mfn s THR 148 N -3.98 3.75 -0.49 0.00 -1.32 -1.26 -1.26 115.64 111.08 1mfn s THR 148 Ca 0.36 -1.49 0.04 0.00 -1.21 0.00 0.00 61.69 59.39 1mfn s THR 148 Cb 0.05 -2.91 0.16 0.00 -1.51 0.00 0.00 72.50 68.29 1mfn s THR 148 CO 0.14 -0.17 0.36 -0.63 -2.21 0.00 0.00 174.62 172.12 1mfn s ILE 149 N -1.85 1.15 0.52 5.08 -1.09 -0.56 -4.94 121.20 119.51 1mfn s ILE 149 Ca 0.29 -3.03 0.00 0.00 -2.23 0.00 0.00 60.65 55.68 1mfn s ILE 149 Cb -0.09 -1.79 0.02 0.00 -1.58 0.00 0.00 42.46 39.03 1mfn s ILE 149 CO 0.19 -1.12 0.75 0.20 -1.23 0.00 0.00 174.94 173.73 1mfn s ASN 150 N -0.26 5.48 -0.30 3.58 -0.87 -1.26 -1.96 114.94 119.35 1mfn s ASN 150 Ca 0.28 0.15 -0.01 0.00 -1.57 0.00 0.00 52.86 51.71 1mfn s ASN 150 Cb -0.04 -1.17 0.00 0.00 -0.02 0.00 0.00 41.25 40.03 1mfn s ASN 150 CO -0.15 -0.99 0.25 -3.20 -2.57 0.00 0.00 177.10 170.44 1mfn n ASN 151 N -2.27 -2.29 -4.70 -1.22 2.85 -0.95 -4.95 115.26 101.74 1mfn n ASN 151 Ca 0.05 -0.15 -0.23 0.00 -0.11 0.00 0.00 54.58 54.14 1mfn n ASN 151 Cb 0.59 -1.62 -0.07 0.00 1.24 0.00 0.00 39.78 39.93 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 -3.08 3.77 -0.38 -1.44 2.07 -0.97 -5.03 121.20 116.13 1mfn s ILE 152 Ca 0.04 -1.68 -0.16 0.00 -1.41 0.00 0.00 60.65 57.44 1mfn s ILE 152 Cb -0.02 -3.00 0.01 0.00 0.13 0.00 0.00 42.46 39.58 1mfn s ILE 152 CO 0.18 -0.31 0.37 -0.75 -1.91 0.00 0.00 174.94 172.51 1mfn s LYS 153 N -3.56 3.28 0.22 3.50 2.20 -1.26 -4.70 119.74 119.41 1mfn s LYS 153 Ca 0.31 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 1mfn s LYS 153 Cb -0.07 -3.90 -0.08 0.00 -1.51 0.00 0.00 37.83 32.27 1mfn s LYS 153 CO 0.21 -0.68 1.03 -1.25 -0.36 0.00 0.00 175.35 174.30 1mfn s PRO 154 N 1.97 4.71 0.00 4.03 0.04 -1.26 -4.41 135.00 140.08 1mfn s PRO 154 Ca 0.10 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1mfn s PRO 154 Cb -0.17 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1mfn s PRO 154 CO 0.12 0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.84 1mfn n GLY 155 N 1.65 0.32 0.00 0.56 0.00 0.19 -5.06 105.19 102.87 1mfn n GLY 155 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1mfn n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfn n ALA 156 N -0.67 0.00 -0.95 4.61 0.00 -1.25 -4.98 120.51 117.27 1mfn n ALA 156 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1mfn n ALA 156 Cb 0.30 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.83 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 -3.79 -3.10 0.00 2.03 -1.26 -2.29 116.55 108.14 1mfn n ASP 157 Ca 0.00 0.31 -0.17 0.00 0.52 0.00 0.00 54.79 55.44 1mfn n ASP 157 Cb 0.00 -1.00 -0.06 0.00 -0.72 0.00 0.00 41.12 39.34 1mfn n ASP 157 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1mfn n TYR 158 N -2.91 -1.01 -3.33 -0.67 4.02 0.52 0.63 117.16 114.40 1mfn n TYR 158 Ca 0.03 -2.58 -0.11 0.00 -0.01 0.00 0.00 57.90 55.23 1mfn n TYR 158 Cb 0.54 0.38 -0.07 0.00 -0.02 0.00 0.00 39.34 40.17 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 -3.13 -0.58 0.08 -0.72 2.01 0.70 -2.56 115.64 111.43 1mfn s THR 159 Ca 0.35 -0.31 -0.25 0.00 0.31 0.00 0.00 61.69 61.80 1mfn s THR 159 Cb 0.01 -0.96 -0.06 0.00 0.01 0.00 0.00 72.50 71.49 1mfn s THR 159 CO 0.25 -0.30 0.76 -0.63 -0.69 0.00 0.00 174.62 174.00 1mfn s ILE 160 N 2.50 4.62 0.21 1.82 -1.09 0.64 0.45 121.20 130.35 1mfn s ILE 160 Ca 0.10 1.63 -0.09 0.00 -2.23 0.00 0.00 60.65 60.06 1mfn s ILE 160 Cb -0.13 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 1mfn s ILE 160 CO -0.29 0.43 0.33 -0.89 -1.23 0.00 0.00 174.94 173.29 1mfn s THR 161 N -0.45 0.02 -0.14 2.92 2.01 -1.05 0.13 115.64 119.07 1mfn s THR 161 Ca 0.37 -1.57 -0.29 0.00 0.31 0.00 0.00 61.69 60.50 1mfn s THR 161 Cb -0.21 -2.20 0.09 0.00 0.01 0.00 0.00 72.50 70.19 1mfn s THR 161 CO 0.24 -0.07 0.82 -1.48 -0.69 0.00 0.00 174.62 173.44 1mfn s LEU 162 N -3.05 -0.56 -0.35 4.42 0.05 -0.56 0.20 118.68 118.84 1mfn s LEU 162 Ca 0.26 0.73 -0.00 0.00 0.05 0.00 0.00 54.13 55.17 1mfn s LEU 162 Cb 0.02 2.25 0.09 0.00 -2.05 0.00 0.00 46.19 46.51 1mfn s LEU 162 CO 0.08 -0.43 0.08 -0.31 -0.55 0.00 0.00 176.35 175.22 1mfn s TYR 163 N -0.81 3.53 1.11 3.48 1.51 0.50 -2.04 117.35 124.63 1mfn s TYR 163 Ca -0.05 -2.44 -0.12 0.00 -1.01 0.00 0.00 57.07 53.45 1mfn s TYR 163 Cb -0.01 -2.74 0.25 0.00 -0.11 0.00 0.00 41.96 39.34 1mfn s TYR 163 CO 0.05 -0.92 1.05 0.00 -1.11 0.00 0.00 175.55 174.62 1mfn s ALA 164 N 1.10 -0.02 -0.14 3.71 0.00 -1.26 0.41 121.76 125.55 1mfn s ALA 164 Ca 0.04 0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 1mfn s ALA 164 Cb -0.21 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 19.69 1mfn s ALA 164 CO -0.05 -3.58 0.18 0.08 0.00 0.00 0.00 175.76 172.39 1mfn s VAL 165 N -2.52 -0.27 -0.14 0.00 1.01 0.23 -2.20 120.40 116.52 1mfn s VAL 165 Ca 0.68 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 1mfn s VAL 165 Cb -0.24 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1mfn s VAL 165 CO 0.63 -0.05 -0.05 0.42 0.00 0.00 0.00 175.10 176.04 1mfn s THR 166 N 2.29 3.75 1.12 3.92 -4.23 0.31 -1.18 115.64 121.61 1mfn s THR 166 Ca 0.04 -0.42 -0.13 0.00 -1.18 0.00 0.00 61.69 60.01 1mfn s THR 166 Cb -0.14 -2.62 0.23 0.00 1.34 0.00 0.00 72.50 71.31 1mfn s THR 166 CO -0.09 0.52 0.87 0.61 -0.54 0.00 0.00 174.62 176.00 1mfn n GLY 167 N 3.27 -1.80 0.27 3.99 0.00 -1.26 0.29 105.19 109.95 1mfn n GLY 167 Ca -0.18 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1mfn n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfn n ARG 168 N -4.32 0.00 0.00 1.61 1.74 -1.02 -4.54 116.66 110.13 1mfn n ARG 168 Ca 0.04 -0.40 0.00 0.00 -0.77 0.00 0.00 57.85 56.72 1mfn n ARG 168 Cb 0.55 -0.26 0.00 0.00 -1.02 0.00 0.00 32.46 31.72 1mfn n ARG 168 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mfn n GLY 169 N 0.00 0.66 0.00 -0.13 0.00 -1.26 -4.48 105.19 99.98 1mfn n GLY 169 Ca 0.00 -1.15 0.12 0.00 0.00 0.00 0.00 46.02 44.99 1mfn n GLY 169 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mfn n ASP 170 N 0.00 0.00 -3.63 1.61 5.75 -1.26 -4.65 116.55 114.37 1mfn n ASP 170 Ca 0.00 -0.80 -0.05 0.00 -0.01 0.00 0.00 54.79 53.93 1mfn n ASP 170 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 1mfn n ASP 170 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1mfn s SER 171 N -1.96 -0.82 1.01 -1.12 0.01 -1.26 -5.17 113.70 104.39 1mfn s SER 171 Ca 0.35 1.28 -0.01 0.00 1.31 0.00 0.00 55.95 58.88 1mfn s SER 171 Cb 0.16 1.42 0.02 0.00 0.21 0.00 0.00 66.02 67.83 1mfn s SER 171 CO 0.27 -0.20 0.07 -0.81 0.41 0.00 0.00 173.24 172.98 1mfn n PRO 172 N 4.25 -0.57 -3.62 12.44 -0.04 -1.26 -2.43 135.00 143.76 1mfn n PRO 172 Ca -0.19 -0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.01 1mfn n PRO 172 Cb 0.58 -0.09 -0.07 0.00 -0.04 0.00 0.00 33.50 33.88 1mfn n PRO 172 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mfn s ALA 173 N -3.53 -1.30 0.00 0.55 0.00 0.15 -4.61 121.76 113.01 1mfn s ALA 173 Ca 0.04 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1mfn s ALA 173 Cb -0.00 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1mfn s ALA 173 CO 0.03 -0.36 0.00 -1.13 0.00 0.00 0.00 175.76 174.31 1mfn n SER 174 N 0.94 0.33 -3.96 0.00 3.41 -1.26 0.11 113.62 113.19 1mfn n SER 174 Ca -0.20 -0.60 -0.09 0.00 -0.26 0.00 0.00 58.87 57.72 1mfn n SER 174 Cb 0.57 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.45 1mfn n SER 174 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1mfn s SER 175 N -0.87 0.11 0.26 4.04 1.04 -0.93 -4.75 113.70 112.61 1mfn s SER 175 Ca 0.00 -0.87 -0.28 0.00 0.48 0.00 0.00 55.95 55.28 1mfn s SER 175 Cb 0.00 0.38 -0.15 0.00 0.10 0.00 0.00 66.02 66.36 1mfn s SER 175 CO 0.00 -0.82 0.86 0.29 0.98 0.00 0.00 173.24 174.55 1mfn n LYS 176 N -0.15 0.95 -2.51 4.02 5.02 -1.26 -4.34 118.16 119.88 1mfn n LYS 176 Ca -0.09 0.33 -0.43 0.00 -2.02 0.00 0.00 58.31 56.10 1mfn n LYS 176 Cb 0.63 -1.59 -0.02 0.00 -0.02 0.00 0.00 35.03 34.03 1mfn n LYS 176 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1mfn s PRO 177 N -1.39 4.09 -0.01 1.97 0.04 -1.26 -4.65 135.00 133.79 1mfn s PRO 177 Ca 0.60 1.33 -0.25 0.00 0.04 0.00 0.00 61.00 62.72 1mfn s PRO 177 Cb -0.77 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 29.95 1mfn s PRO 177 CO 0.59 -0.88 0.78 0.08 0.04 0.00 0.00 177.00 177.61 1mfn s VAL 178 N 3.77 4.90 0.08 -0.36 1.01 -0.86 -4.75 120.40 124.19 1mfn s VAL 178 Ca 0.51 1.64 0.06 0.00 0.00 0.00 0.00 61.98 64.19 1mfn s VAL 178 Cb -0.17 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1mfn s VAL 178 CO 0.16 0.27 -0.17 -0.94 0.00 0.00 0.00 175.10 174.42 1mfn s SER 179 N 0.55 2.05 0.06 3.32 1.04 -1.26 -1.50 113.70 117.96 1mfn s SER 179 Ca 0.41 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 56.24 1mfn s SER 179 Cb -0.19 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 1mfn s SER 179 CO 0.22 -0.00 -0.09 0.27 0.98 0.00 0.00 173.24 174.62 1mfn s ILE 180 N -1.17 0.69 0.30 -1.02 -4.36 0.35 -4.95 121.20 111.04 1mfn s ILE 180 Ca 0.02 -1.35 -0.19 0.00 -0.26 0.00 0.00 60.65 58.87 1mfn s ILE 180 Cb -0.10 -0.97 -0.09 0.00 1.25 0.00 0.00 42.46 42.55 1mfn s ILE 180 CO 0.03 -0.48 0.79 0.20 0.24 0.00 0.00 174.94 175.72 1mfn s ASN 181 N -2.00 6.99 -0.13 4.36 -0.87 -1.26 -0.26 114.94 121.76 1mfn s ASN 181 Ca -0.03 1.47 -0.05 0.00 -1.57 0.00 0.00 52.86 52.68 1mfn s ASN 181 Cb -0.06 -2.44 0.06 0.00 -0.02 0.00 0.00 41.25 38.79 1mfn s ASN 181 CO -0.00 -0.11 0.28 -0.47 -2.57 0.00 0.00 177.10 174.22 1mfn s TYR 182 N -1.78 -0.45 -0.25 2.20 5.04 -1.06 -4.82 117.35 116.24 1mfn s TYR 182 Ca 0.50 1.01 -0.14 0.00 -2.44 0.00 0.00 57.07 55.99 1mfn s TYR 182 Cb -0.14 0.01 -0.04 0.00 0.35 0.00 0.00 41.96 42.15 1mfn s TYR 182 CO 0.19 -0.35 0.35 -1.59 -1.34 0.00 0.00 175.55 172.81 1mfn s LYS 183 N 2.25 4.06 0.00 4.97 -2.85 -1.26 0.19 119.74 127.10 1mfn s LYS 183 Ca -0.01 0.03 0.25 0.00 -1.00 0.00 0.00 55.97 55.24 1mfn s LYS 183 Cb -0.12 -3.61 0.35 0.00 -2.06 0.00 0.00 37.83 32.39 1mfn s LYS 183 CO -0.09 -0.18 1.35 0.25 0.10 0.00 0.00 175.35 176.79