#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 -4.86 0.99 4.32 -1.26 -5.12 117.00 111.07 1mfn n LEU 2 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.64 1mfn n LEU 2 Cb 0.00 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 1mfn n LEU 2 CO 0.00 0.00 0.07 -1.81 -1.22 0.00 0.00 177.39 174.43 1mfn s ASP 3 N 0.19 6.66 0.36 -1.43 1.11 -1.26 -4.99 116.67 117.32 1mfn s ASP 3 Ca 0.00 0.81 -0.25 0.00 0.18 0.00 0.00 52.55 53.29 1mfn s ASP 3 Cb 0.00 -2.19 -0.10 0.00 1.07 0.00 0.00 42.92 41.71 1mfn s ASP 3 CO 0.00 0.21 0.99 -0.44 1.18 0.00 0.00 175.17 177.10 1mfn s SER 4 N -1.62 7.10 -0.08 0.27 0.01 -1.26 -4.66 113.70 113.46 1mfn s SER 4 Ca 0.31 1.91 -0.30 0.00 1.31 0.00 0.00 55.95 59.18 1mfn s SER 4 Cb -0.14 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 1mfn s SER 4 CO 0.17 -0.25 1.07 -2.16 0.41 0.00 0.00 173.24 172.48 1mfn s PRO 5 N -2.30 4.41 0.00 12.44 0.04 -1.26 -4.55 135.00 143.78 1mfn s PRO 5 Ca 0.54 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1mfn s PRO 5 Cb -0.19 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1mfn s PRO 5 CO 0.25 -0.34 0.00 0.25 0.04 0.00 0.00 177.00 177.20 1mfn n THR 6 N 4.51 0.00 -0.84 1.26 -2.24 -1.22 -4.57 114.28 111.18 1mfn n THR 6 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1mfn n THR 6 Cb 0.48 0.00 0.00 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 0.00 0.51 3.40 3.38 0.00 -1.26 0.12 105.19 111.34 1mfn n GLY 7 Ca 0.00 -0.64 -0.48 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.84 -0.48 -3.13 1.61 -0.00 -1.26 -3.71 117.46 107.65 1mfn n PHE 8 Ca 0.00 0.94 0.04 0.00 -0.00 0.00 0.00 57.45 58.43 1mfn n PHE 8 Cb 0.00 -1.97 -0.00 0.00 -0.00 0.00 0.00 39.48 37.51 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 -0.98 -1.19 -0.08 -2.13 2.15 0.11 -4.87 116.67 109.69 1mfn s ASP 9 Ca 0.64 -0.03 -0.25 0.00 0.43 0.00 0.00 52.55 53.34 1mfn s ASP 9 Cb -0.91 1.69 -0.03 0.00 -0.30 0.00 0.00 42.92 43.38 1mfn s ASP 9 CO 0.56 -0.20 0.79 -0.44 -0.17 0.00 0.00 175.17 175.72 1mfn s SER 10 N 2.65 7.06 0.00 -0.34 0.01 -1.26 0.80 113.70 122.62 1mfn s SER 10 Ca 0.16 1.29 0.00 0.00 1.31 0.00 0.00 55.95 58.71 1mfn s SER 10 Cb -0.06 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1mfn s SER 10 CO -0.21 -0.22 0.00 -1.54 0.41 0.00 0.00 173.24 171.68 1mfn n SER 11 N 4.16 0.00 -3.66 2.44 3.41 -0.66 -4.86 113.62 114.44 1mfn n SER 11 Ca 0.02 -0.47 -0.25 0.00 -0.26 0.00 0.00 58.87 57.90 1mfn n SER 11 Cb 0.51 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.10 -1.87 -4.78 4.04 9.92 -1.26 -0.99 116.55 120.51 1mfn n ASP 12 Ca 0.00 -0.52 -0.37 0.00 -0.53 0.00 0.00 54.79 53.37 1mfn n ASP 12 Cb 0.00 -1.65 -0.06 0.00 -0.64 0.00 0.00 41.12 38.77 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 -2.78 4.07 0.00 0.53 1.01 -1.26 -1.33 121.20 121.44 1mfn s ILE 13 Ca 0.49 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.84 1mfn s ILE 13 Cb -0.28 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1mfn s ILE 13 CO 0.60 0.12 0.00 0.35 0.00 0.00 0.00 174.94 176.01 1mfn n THR 14 N 0.45 0.00 -0.11 2.92 -2.24 0.75 -4.61 114.28 111.45 1mfn n THR 14 Ca 0.02 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.56 1mfn n THR 14 Cb 0.50 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.61 1mfn n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mfn n ALA 15 N -3.00 0.94 1.00 6.98 0.00 -0.47 0.17 120.51 126.13 1mfn n ALA 15 Ca 0.00 -0.70 0.10 0.00 0.00 0.00 0.00 53.44 52.84 1mfn n ALA 15 Cb 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 1mfn n ALA 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1mfn n ASN 16 N -4.24 1.15 -4.00 0.00 0.23 -1.24 -1.73 115.26 105.43 1mfn n ASN 16 Ca -0.39 -1.06 -0.08 0.00 -0.53 0.00 0.00 54.58 52.52 1mfn n ASN 16 Cb 0.79 0.89 -0.09 0.00 -2.08 0.00 0.00 39.78 39.28 1mfn n ASN 16 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1mfn s SER 17 N -2.91 0.34 -0.25 0.53 1.04 -1.26 0.43 113.70 111.62 1mfn s SER 17 Ca 0.10 -0.84 -0.26 0.00 0.48 0.00 0.00 55.95 55.42 1mfn s SER 17 Cb 0.16 0.25 0.11 0.00 0.10 0.00 0.00 66.02 66.64 1mfn s SER 17 CO 0.81 -0.63 0.95 0.72 0.98 0.00 0.00 173.24 176.07 1mfn s PHE 18 N -3.78 -0.53 0.48 5.02 -0.12 -0.84 0.27 117.98 118.47 1mfn s PHE 18 Ca 0.05 1.22 -0.16 0.00 -0.05 0.00 0.00 56.93 57.99 1mfn s PHE 18 Cb 0.06 0.36 -0.08 0.00 -0.63 0.00 0.00 43.02 42.73 1mfn s PHE 18 CO -0.10 -0.30 0.93 0.99 -0.05 0.00 0.00 175.22 176.70 1mfn s THR 19 N -0.04 4.57 -0.13 -4.49 2.01 -0.16 -1.78 115.64 115.62 1mfn s THR 19 Ca 0.01 1.14 -0.01 0.00 0.31 0.00 0.00 61.69 63.13 1mfn s THR 19 Cb -0.04 -3.70 0.04 0.00 0.01 0.00 0.00 72.50 68.80 1mfn s THR 19 CO -0.03 -0.59 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.60 1mfn s VAL 20 N -2.50 0.75 0.28 3.82 1.01 0.30 -1.66 120.40 122.41 1mfn s VAL 20 Ca 0.58 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.32 1mfn s VAL 20 Cb -0.10 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1mfn s VAL 20 CO 0.28 0.17 0.32 -1.00 0.00 0.00 0.00 175.10 174.87 1mfn s HIS 21 N 1.80 3.17 -0.29 5.22 3.76 0.24 0.32 115.29 129.51 1mfn s HIS 21 Ca 0.03 -0.14 -0.23 0.00 -0.15 0.00 0.00 55.06 54.57 1mfn s HIS 21 Cb -0.14 -1.64 0.15 0.00 1.11 0.00 0.00 32.58 32.06 1mfn s HIS 21 CO -0.07 0.33 1.13 1.67 -0.85 0.00 0.00 174.74 176.96 1mfn s TRP 22 N -2.13 -0.37 0.77 1.40 -2.14 0.23 0.09 118.94 116.79 1mfn s TRP 22 Ca 0.37 0.85 -0.11 0.00 2.66 0.00 0.00 56.10 59.87 1mfn s TRP 22 Cb -0.08 0.37 0.05 0.00 -3.10 0.00 0.00 33.47 30.71 1mfn s TRP 22 CO 0.28 -0.18 1.09 0.08 -2.66 0.00 0.00 176.95 175.55 1mfn s VAL 23 N 0.44 3.33 0.51 -0.66 1.01 0.32 -4.59 120.40 120.77 1mfn s VAL 23 Ca 0.01 0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.50 1mfn s VAL 23 Cb -0.05 -3.15 0.05 0.00 0.00 0.00 0.00 36.38 33.24 1mfn s VAL 23 CO -0.10 -0.57 0.70 0.00 0.00 0.00 0.00 175.10 175.13 1mfn s ALA 24 N -3.09 4.46 1.00 5.51 0.00 -1.26 -3.41 121.76 124.96 1mfn s ALA 24 Ca 0.60 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1mfn s ALA 24 Cb -0.15 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1mfn s ALA 24 CO 0.55 -0.62 0.00 -0.35 0.00 0.00 0.00 175.76 175.34 1mfn n PRO 25 N -2.11 0.75 -0.08 0.00 -0.04 -1.26 -4.67 135.00 127.59 1mfn n PRO 25 Ca 0.11 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 1mfn n PRO 25 Cb 0.60 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.19 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 -0.23 1.60 -4.63 0.54 1.74 -1.26 -5.03 116.66 109.39 1mfn n ARG 26 Ca 0.00 -2.44 -0.28 0.00 -0.77 0.00 0.00 57.85 54.36 1mfn n ARG 26 Cb 0.00 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 29.90 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 -2.60 3.28 -1.05 7.54 0.00 -1.26 -4.99 121.76 122.68 1mfn s ALA 27 Ca 0.28 -1.70 -0.23 0.00 0.00 0.00 0.00 51.96 50.32 1mfn s ALA 27 Cb 0.24 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.64 1mfn s ALA 27 CO 0.03 -0.14 1.59 -1.25 0.00 0.00 0.00 175.76 175.99 1mfn s PRO 28 N -3.78 3.44 0.69 0.00 0.04 -1.26 -4.99 135.00 129.14 1mfn s PRO 28 Ca 0.27 -1.11 -0.12 0.00 0.04 0.00 0.00 61.00 60.08 1mfn s PRO 28 Cb 0.07 -5.33 0.16 0.00 0.04 0.00 0.00 34.50 29.44 1mfn s PRO 28 CO 0.13 -2.47 0.93 0.44 0.04 0.00 0.00 177.00 176.08 1mfn n ILE 29 N 7.01 0.00 -0.46 0.56 -5.35 -1.26 -4.88 119.36 114.98 1mfn n ILE 29 Ca 0.37 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 1mfn n ILE 29 Cb 0.49 -1.65 0.00 0.00 -1.74 0.00 0.00 39.64 36.75 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 -3.29 0.00 -0.56 7.28 -2.24 1.00 -4.89 114.28 111.58 1mfn n THR 30 Ca 0.12 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1mfn n THR 30 Cb 0.41 1.46 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 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 0.09 -2.53 3.19 3.38 0.00 -1.10 -4.50 105.19 103.72 1mfn n GLY 31 Ca 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 1mfn n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mfn s TYR 32 N -2.14 -0.47 -0.19 1.61 1.51 0.08 -2.40 117.35 115.34 1mfn s TYR 32 Ca 0.00 1.06 -0.11 0.00 -1.01 0.00 0.00 57.07 57.01 1mfn s TYR 32 Cb 0.00 0.17 -0.05 0.00 -0.11 0.00 0.00 41.96 41.97 1mfn s TYR 32 CO 0.00 -0.28 0.16 0.42 -1.11 0.00 0.00 175.55 174.74 1mfn s ILE 33 N 1.15 5.40 -0.20 2.71 1.09 -0.59 0.43 121.20 131.19 1mfn s ILE 33 Ca -0.08 0.25 -0.00 0.00 -1.10 0.00 0.00 60.65 59.72 1mfn s ILE 33 Cb -0.08 -3.49 0.01 0.00 -1.06 0.00 0.00 42.46 37.84 1mfn s ILE 33 CO -0.09 0.44 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.41 1mfn s ILE 34 N 0.32 2.46 -0.03 2.92 -1.09 0.37 0.20 121.20 126.35 1mfn s ILE 34 Ca 0.10 -0.85 0.07 0.00 -2.23 0.00 0.00 60.65 57.73 1mfn s ILE 34 Cb -0.11 -2.09 -0.02 0.00 -1.58 0.00 0.00 42.46 38.66 1mfn s ILE 34 CO -0.01 0.47 -0.24 -0.13 -1.23 0.00 0.00 174.94 173.79 1mfn s ARG 35 N 1.34 2.26 0.17 2.79 0.52 -0.90 0.24 118.95 125.36 1mfn s ARG 35 Ca 0.04 -0.90 0.06 0.00 -0.52 0.00 0.00 55.73 54.41 1mfn s ARG 35 Cb -0.14 -2.11 -0.05 0.00 0.52 0.00 0.00 34.95 33.18 1mfn s ARG 35 CO -0.10 0.53 -0.11 -3.38 0.02 0.00 0.00 175.30 172.26 1mfn s HIS 36 N -0.52 1.43 -0.30 -0.53 -3.43 -1.08 0.16 115.29 111.02 1mfn s HIS 36 Ca 0.07 -0.70 -0.16 0.00 -0.80 0.00 0.00 55.06 53.47 1mfn s HIS 36 Cb -0.11 -0.71 0.17 0.00 -1.43 0.00 0.00 32.58 30.50 1mfn s HIS 36 CO 0.00 0.17 1.05 -3.38 -2.00 0.00 0.00 174.74 170.58 1mfn s HIS 37 N -3.21 -0.53 0.89 0.38 -3.43 0.11 -3.48 115.29 106.02 1mfn s HIS 37 Ca 0.19 0.94 -0.11 0.00 -0.80 0.00 0.00 55.06 55.27 1mfn s HIS 37 Cb 0.02 0.32 0.18 0.00 -1.43 0.00 0.00 32.58 31.66 1mfn s HIS 37 CO 0.03 -0.26 0.40 0.00 -2.00 0.00 0.00 174.74 172.91 1mfn n ALA 38 N 4.63 -2.44 -1.00 -1.38 0.00 -1.26 -2.29 120.51 116.77 1mfn n ALA 38 Ca -0.10 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1mfn n ALA 38 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.62 0.00 -1.19 0.00 -0.58 -1.22 -4.56 120.64 111.47 1mfn n GLU 39 Ca 0.06 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.60 1mfn n GLU 39 Cb 0.28 -0.01 0.20 0.00 -0.57 0.00 0.00 31.44 31.34 1mfn n GLU 39 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1mfn n HIS 40 N 0.00 2.93 -0.15 -0.32 8.25 -1.26 -4.96 115.22 119.72 1mfn n HIS 40 Ca 0.00 -1.73 0.00 0.00 -0.26 0.00 0.00 57.72 55.73 1mfn n HIS 40 Cb 0.00 -0.89 0.00 0.00 1.12 0.00 0.00 29.99 30.22 1mfn n HIS 40 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1mfn n SER 41 N -0.97 -0.08 0.00 0.41 3.41 -1.26 -5.01 113.62 110.12 1mfn n SER 41 Ca 0.56 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1mfn n SER 41 Cb 1.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.57 1mfn n SER 41 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1mfn n VAL 42 N -0.59 0.00 -2.09 -3.33 3.14 -1.26 -5.04 118.33 109.16 1mfn n VAL 42 Ca 0.00 -0.32 -0.40 0.00 -2.96 0.00 0.00 64.34 60.66 1mfn n VAL 42 Cb 0.00 1.32 -0.01 0.00 -1.06 0.00 0.00 33.84 34.09 1mfn n VAL 42 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1mfn s GLY 43 N -0.08 2.95 0.31 7.55 0.00 -1.26 -4.96 107.32 111.84 1mfn s GLY 43 Ca 0.00 1.23 -0.28 0.00 0.00 0.00 0.00 44.72 45.67 1mfn s GLY 43 CO 0.00 1.84 1.14 0.50 0.00 0.00 0.00 173.10 176.58 1mfn s ARG 44 N -2.06 4.49 -0.41 2.90 0.52 -1.26 -4.76 118.95 118.37 1mfn s ARG 44 Ca 0.54 1.86 -0.29 0.00 -0.52 0.00 0.00 55.73 57.32 1mfn s ARG 44 Cb -0.38 -3.06 0.02 0.00 0.52 0.00 0.00 34.95 32.05 1mfn s ARG 44 CO 0.50 0.05 1.17 -1.25 0.02 0.00 0.00 175.30 175.80 1mfn s PRO 45 N -1.69 3.82 0.35 3.54 0.04 -1.26 -4.96 135.00 134.84 1mfn s PRO 45 Ca 0.48 0.82 0.01 0.00 0.04 0.00 0.00 61.00 62.35 1mfn s PRO 45 Cb -0.32 -3.87 -0.03 0.00 0.04 0.00 0.00 34.50 30.32 1mfn s PRO 45 CO 0.42 -1.25 0.54 -0.98 0.04 0.00 0.00 177.00 175.78 1mfn s ARG 46 N 4.27 3.40 -0.40 4.56 1.70 -1.23 -4.93 118.95 126.32 1mfn s ARG 46 Ca 0.50 -0.44 -0.06 0.00 -0.47 0.00 0.00 55.73 55.26 1mfn s ARG 46 Cb -0.10 -2.68 0.09 0.00 -0.57 0.00 0.00 34.95 31.69 1mfn s ARG 46 CO 0.26 0.11 0.21 -0.65 -1.08 0.00 0.00 175.30 174.16 1mfn s GLN 47 N -4.31 2.37 -0.33 3.89 -0.21 -1.26 -2.63 119.66 117.17 1mfn s GLN 47 Ca 0.41 -1.58 -0.18 0.00 0.02 0.00 0.00 55.36 54.03 1mfn s GLN 47 Cb -0.10 -3.65 -0.01 0.00 1.00 0.00 0.00 33.01 30.26 1mfn s GLN 47 CO 0.35 -0.97 0.49 -0.51 -2.12 0.00 0.00 175.29 172.54 1mfn s ASP 48 N 1.95 6.32 0.23 5.90 1.11 0.65 -4.90 116.67 127.92 1mfn s ASP 48 Ca 0.04 0.05 0.01 0.00 0.18 0.00 0.00 52.55 52.82 1mfn s ASP 48 Cb -0.23 -2.26 -0.04 0.00 1.07 0.00 0.00 42.92 41.47 1mfn s ASP 48 CO -0.01 -0.42 0.41 -0.13 1.18 0.00 0.00 175.17 176.19 1mfn s ARG 49 N 2.33 3.49 0.07 8.23 3.00 -1.26 0.14 118.95 134.95 1mfn s ARG 49 Ca 0.18 -0.45 -0.03 0.00 0.00 0.00 0.00 55.73 55.43 1mfn s ARG 49 Cb -0.16 -2.83 -0.03 0.00 0.00 0.00 0.00 34.95 31.94 1mfn s ARG 49 CO 0.12 0.37 0.04 0.14 0.00 0.00 0.00 175.30 175.97 1mfn s VAL 50 N -1.97 0.19 0.95 3.52 -7.23 0.17 -4.80 120.40 111.24 1mfn s VAL 50 Ca 0.37 -1.65 -0.15 0.00 -1.81 0.00 0.00 61.98 58.75 1mfn s VAL 50 Cb -0.10 -1.52 0.17 0.00 0.56 0.00 0.00 36.38 35.49 1mfn s VAL 50 CO 0.30 -0.86 1.21 -2.16 -0.31 0.00 0.00 175.10 173.29 1mfn s PRO 51 N -3.92 0.77 0.25 4.82 0.04 -1.26 -0.74 135.00 134.96 1mfn s PRO 51 Ca 0.08 -0.06 0.26 0.00 0.04 0.00 0.00 61.00 61.31 1mfn s PRO 51 Cb 0.07 -1.83 0.82 0.00 0.04 0.00 0.00 34.50 33.61 1mfn s PRO 51 CO -0.09 -2.38 1.76 -1.00 0.04 0.00 0.00 177.00 175.32 1mfn h PRO 52 N -1.63 0.00 -0.62 0.56 0.13 -1.83 -3.08 132.00 125.54 1mfn h PRO 52 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.50 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.72 1mfn n SER 53 N -2.37 5.33 -3.98 1.44 2.88 -1.26 -4.85 113.62 110.82 1mfn n SER 53 Ca 0.05 -2.76 -0.29 0.00 -1.33 0.00 0.00 58.87 54.53 1mfn n SER 53 Cb 0.39 -0.65 -0.16 0.00 -0.75 0.00 0.00 64.21 63.04 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 -2.45 2.05 0.00 -1.46 1.81 -1.16 -4.97 118.95 112.76 1mfn s ARG 54 Ca 0.52 -0.52 0.20 0.00 -1.72 0.00 0.00 55.73 54.21 1mfn s ARG 54 Cb 0.38 -2.02 0.14 0.00 -0.45 0.00 0.00 34.95 33.00 1mfn s ARG 54 CO 0.18 -0.28 1.11 0.27 -0.68 0.00 0.00 175.30 175.91 1mfn n ASN 55 N 4.81 2.58 -3.97 0.23 6.94 -1.26 -4.77 115.26 119.81 1mfn n ASN 55 Ca -0.15 -1.79 -0.23 0.00 -0.02 0.00 0.00 54.58 52.39 1mfn n ASN 55 Cb 0.49 0.04 -0.16 0.00 -2.36 0.00 0.00 39.78 37.79 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 -1.69 1.42 -0.01 0.53 1.04 -1.26 0.75 113.70 114.48 1mfn s SER 56 Ca 0.22 -0.23 0.06 0.00 0.48 0.00 0.00 55.95 56.49 1mfn s SER 56 Cb 0.16 -0.67 -0.02 0.00 0.10 0.00 0.00 66.02 65.60 1mfn s SER 56 CO 0.27 -0.00 -0.19 -0.51 0.98 0.00 0.00 173.24 173.78 1mfn s ILE 57 N 0.76 1.53 -0.13 -1.02 2.07 0.15 -4.88 121.20 119.68 1mfn s ILE 57 Ca -0.13 -0.84 -0.06 0.00 -1.41 0.00 0.00 60.65 58.21 1mfn s ILE 57 Cb -0.15 -1.28 -0.04 0.00 0.13 0.00 0.00 42.46 41.12 1mfn s ILE 57 CO 0.02 0.43 0.08 -0.89 -1.91 0.00 0.00 174.94 172.67 1mfn s THR 58 N -0.46 5.01 0.28 4.00 2.01 -1.26 0.11 115.64 125.33 1mfn s THR 58 Ca 0.07 0.03 0.10 0.00 0.31 0.00 0.00 61.69 62.20 1mfn s THR 58 Cb -0.08 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 1mfn s THR 58 CO -0.01 0.56 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.68 1mfn s LEU 59 N -0.53 3.01 0.00 4.42 1.02 -0.73 -4.94 118.68 120.93 1mfn s LEU 59 Ca 0.11 -0.80 0.00 0.00 0.02 0.00 0.00 54.13 53.46 1mfn s LEU 59 Cb -0.12 -1.51 -0.00 0.00 0.02 0.00 0.00 46.19 44.59 1mfn s LEU 59 CO 0.02 -0.04 0.01 0.35 0.02 0.00 0.00 176.35 176.71 1mfn n THR 60 N -0.85 0.00 -3.70 5.49 -2.24 -1.26 -1.98 114.28 109.74 1mfn n THR 60 Ca -0.06 -0.08 -0.25 0.00 -2.27 0.00 0.00 64.05 61.39 1mfn n THR 60 Cb 0.60 0.04 0.03 0.00 -2.10 0.00 0.00 70.33 68.90 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 -2.87 -3.04 -4.42 3.42 3.02 -0.96 -4.82 115.26 105.58 1mfn n ASN 61 Ca 0.00 -0.92 -0.21 0.00 -0.03 0.00 0.00 54.58 53.43 1mfn n ASN 61 Cb 0.02 -3.72 -0.11 0.00 -0.61 0.00 0.00 39.78 35.36 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 -6.53 2.08 0.21 3.41 1.43 0.17 -4.95 118.68 114.49 1mfn s LEU 62 Ca 0.22 -1.38 -0.22 0.00 -1.03 0.00 0.00 54.13 51.72 1mfn s LEU 62 Cb -0.07 -0.31 -0.08 0.00 0.03 0.00 0.00 46.19 45.76 1mfn s LEU 62 CO 0.84 -0.63 0.76 0.20 0.23 0.00 0.00 176.35 177.75 1mfn s ASN 63 N -3.45 7.20 -0.16 2.29 -0.87 -1.26 -4.07 114.94 114.62 1mfn s ASN 63 Ca 0.37 1.54 -0.29 0.00 -1.57 0.00 0.00 52.86 52.90 1mfn s ASN 63 Cb 0.09 -2.46 -0.01 0.00 -0.02 0.00 0.00 41.25 38.85 1mfn s ASN 63 CO 0.15 0.09 1.08 -2.16 -2.57 0.00 0.00 177.10 173.69 1mfn s PRO 64 N -1.68 4.32 -0.24 -0.60 0.04 -0.70 -3.91 135.00 132.23 1mfn s PRO 64 Ca 0.41 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.89 1mfn s PRO 64 Cb -0.19 -3.62 -0.01 0.00 0.04 0.00 0.00 34.50 30.72 1mfn s PRO 64 CO 0.23 -0.52 0.21 0.41 0.04 0.00 0.00 177.00 177.37 1mfn n GLY 65 N 3.30 0.18 3.22 0.56 0.00 0.81 -4.73 105.19 108.52 1mfn n GLY 65 Ca 0.11 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.07 0.03 -0.58 2.61 2.01 -1.04 -4.85 115.64 110.74 1mfn s THR 66 Ca 0.08 -0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.58 1mfn s THR 66 Cb -0.01 -0.53 0.03 0.00 0.01 0.00 0.00 72.50 72.00 1mfn s THR 66 CO 0.18 -0.13 1.15 -0.70 -0.69 0.00 0.00 174.62 174.43 1mfn s GLU 67 N -0.55 3.45 0.08 4.92 2.56 -1.26 0.23 118.70 128.13 1mfn s GLU 67 Ca -0.07 0.10 0.02 0.00 0.00 0.00 0.00 54.97 55.03 1mfn s GLU 67 Cb -0.04 -4.03 -0.04 0.00 2.00 0.00 0.00 34.13 32.02 1mfn s GLU 67 CO 0.02 -1.67 0.12 0.71 -0.56 0.00 0.00 175.26 173.88 1mfn s TYR 68 N 4.79 3.28 0.18 5.30 2.02 0.11 -3.46 117.35 129.57 1mfn s TYR 68 Ca 0.40 0.12 0.07 0.00 -0.37 0.00 0.00 57.07 57.28 1mfn s TYR 68 Cb -0.09 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 1mfn s TYR 68 CO 0.23 0.54 0.03 0.08 -1.57 0.00 0.00 175.55 174.86 1mfn s VAL 69 N -1.46 3.88 -0.02 0.71 1.01 -0.97 0.34 120.40 123.89 1mfn s VAL 69 Ca 0.31 -1.37 -0.00 0.00 0.00 0.00 0.00 61.98 60.92 1mfn s VAL 69 Cb -0.12 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.32 1mfn s VAL 69 CO 0.24 -0.12 0.03 -0.69 0.00 0.00 0.00 175.10 174.55 1mfn s VAL 70 N -1.76 -0.01 -0.49 2.92 1.01 0.20 -0.71 120.40 121.54 1mfn s VAL 70 Ca 0.28 0.21 -0.13 0.00 0.00 0.00 0.00 61.98 62.35 1mfn s VAL 70 Cb -0.09 -0.13 0.11 0.00 0.00 0.00 0.00 36.38 36.27 1mfn s VAL 70 CO 0.20 0.11 0.41 -0.94 0.00 0.00 0.00 175.10 174.87 1mfn s SER 71 N 1.17 5.95 0.55 3.32 1.04 0.43 0.11 113.70 126.26 1mfn s SER 71 Ca -0.08 -1.75 -0.17 0.00 0.48 0.00 0.00 55.95 54.43 1mfn s SER 71 Cb -0.13 -2.11 -0.06 0.00 0.10 0.00 0.00 66.02 63.82 1mfn s SER 71 CO -0.03 -0.74 1.04 -0.63 0.98 0.00 0.00 173.24 173.87 1mfn s ILE 72 N 1.50 3.86 0.06 -1.02 -1.09 0.20 -2.12 121.20 122.60 1mfn s ILE 72 Ca 0.04 0.97 -0.05 0.00 -2.23 0.00 0.00 60.65 59.39 1mfn s ILE 72 Cb -0.27 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1mfn s ILE 72 CO 0.02 -0.43 0.08 -0.63 -1.23 0.00 0.00 174.94 172.74 1mfn s ILE 73 N -2.31 0.17 0.09 2.92 1.01 0.13 -0.75 121.20 122.46 1mfn s ILE 73 Ca 0.64 -1.41 0.05 0.00 0.00 0.00 0.00 60.65 59.93 1mfn s ILE 73 Cb -0.16 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 1mfn s ILE 73 CO 0.31 -0.78 -0.13 0.00 0.00 0.00 0.00 174.94 174.34 1mfn s ALA 74 N -3.56 1.23 -0.02 9.38 0.00 -1.26 -1.54 121.76 125.98 1mfn s ALA 74 Ca 0.03 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 1mfn s ALA 74 Cb 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1mfn s ALA 74 CO -0.09 0.08 0.05 0.14 0.00 0.00 0.00 175.76 175.94 1mfn s VAL 75 N -1.89 -0.02 -0.53 0.00 -7.23 -1.01 -2.76 120.40 106.96 1mfn s VAL 75 Ca 0.03 0.09 0.02 0.00 -1.81 0.00 0.00 61.98 60.32 1mfn s VAL 75 Cb -0.06 -0.09 0.43 0.00 0.56 0.00 0.00 36.38 37.21 1mfn s VAL 75 CO 0.02 0.04 1.57 -3.20 -0.31 0.00 0.00 175.10 173.21 1mfn n ASN 76 N 3.56 6.15 0.00 4.85 5.15 -1.04 -0.00 115.26 133.93 1mfn n ASN 76 Ca -0.19 -3.77 0.00 0.00 -0.60 0.00 0.00 54.58 50.02 1mfn n ASN 76 Cb 0.56 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 39.13 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 -0.70 1.31 0.00 8.20 0.00 -1.26 -3.47 105.19 109.27 1mfn n GLY 77 Ca 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1mfn n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mfn n ARG 78 N 0.00 0.95 -3.89 1.61 3.00 -1.26 -5.06 116.66 112.00 1mfn n ARG 78 Ca 0.00 -0.24 -0.26 0.00 -0.00 0.00 0.00 57.85 57.35 1mfn n ARG 78 Cb 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 32.46 31.75 1mfn n ARG 78 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1mfn s GLU 79 N -0.20 2.28 -0.33 -0.14 2.02 -1.23 -5.12 118.70 115.98 1mfn s GLU 79 Ca 0.00 -1.97 0.01 0.00 0.02 0.00 0.00 54.97 53.04 1mfn s GLU 79 Cb 0.00 -2.10 0.15 0.00 0.10 0.00 0.00 34.13 32.27 1mfn s GLU 79 CO 0.00 -0.53 0.34 -1.21 0.02 0.00 0.00 175.26 173.88 1mfn s GLU 80 N -4.23 0.48 1.34 1.61 2.02 -1.26 -2.49 118.70 116.17 1mfn s GLU 80 Ca 0.35 -0.47 -0.22 0.00 0.02 0.00 0.00 54.97 54.65 1mfn s GLU 80 Cb -0.02 -0.67 0.35 0.00 0.10 0.00 0.00 34.13 33.89 1mfn s GLU 80 CO 0.22 -1.11 0.78 0.43 0.02 0.00 0.00 175.26 175.60 1mfn n SER 81 N 4.80 -4.00 -4.79 -0.19 7.64 -1.11 -4.94 113.62 111.03 1mfn n SER 81 Ca 0.04 -0.79 -0.36 0.00 1.01 0.00 0.00 58.87 58.77 1mfn n SER 81 Cb 0.46 -0.91 -0.05 0.00 -1.01 0.00 0.00 64.21 62.70 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 -4.85 4.31 -0.69 1.43 0.04 -1.26 -4.52 135.00 129.45 1mfn s PRO 82 Ca 0.60 1.37 -0.27 0.00 0.04 0.00 0.00 61.00 62.75 1mfn s PRO 82 Cb -0.11 -2.55 0.02 0.00 0.04 0.00 0.00 34.50 31.90 1mfn s PRO 82 CO 0.51 0.01 1.38 -1.25 0.04 0.00 0.00 177.00 177.69 1mfn s PRO 83 N -2.49 3.13 -0.58 0.56 0.04 -1.26 -4.36 135.00 130.05 1mfn s PRO 83 Ca 0.56 0.01 -0.28 0.00 0.04 0.00 0.00 61.00 61.34 1mfn s PRO 83 Cb -0.18 -4.20 0.01 0.00 0.04 0.00 0.00 34.50 30.17 1mfn s PRO 83 CO 0.23 -2.19 1.51 -1.17 0.04 0.00 0.00 177.00 175.42 1mfn s LEU 84 N 6.26 3.36 0.05 -3.56 2.96 0.07 -4.73 118.68 123.09 1mfn s LEU 84 Ca 0.43 0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 54.50 1mfn s LEU 84 Cb -0.09 -2.93 -0.06 0.00 0.50 0.00 0.00 46.19 43.62 1mfn s LEU 84 CO 0.18 -1.85 0.40 -0.63 -1.32 0.00 0.00 176.35 173.13 1mfn s ILE 85 N 6.64 5.08 0.00 6.68 1.01 -1.26 0.60 121.20 139.95 1mfn s ILE 85 Ca 0.55 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.76 1mfn s ILE 85 Cb -0.11 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1mfn s ILE 85 CO 0.23 0.38 0.00 0.61 0.00 0.00 0.00 174.94 176.16 1mfn n GLY 86 N 1.19 3.95 3.63 6.18 0.00 0.30 -4.90 105.19 115.53 1mfn n GLY 86 Ca -0.10 -1.23 -0.06 0.00 0.00 0.00 0.00 46.02 44.63 1mfn n GLY 86 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mfn s GLN 87 N 0.03 1.01 -0.02 1.61 -2.07 -1.26 0.58 119.66 119.55 1mfn s GLN 87 Ca 0.00 -0.48 -0.29 0.00 -1.82 0.00 0.00 55.36 52.76 1mfn s GLN 87 Cb 0.00 0.40 0.07 0.00 -1.09 0.00 0.00 33.01 32.39 1mfn s GLN 87 CO 0.00 -0.46 0.66 1.14 -1.32 0.00 0.00 175.29 175.31 1mfn s GLN 88 N -3.21 1.08 -0.01 9.60 0.00 0.15 -4.81 119.66 122.46 1mfn s GLN 88 Ca 0.09 0.14 -0.18 0.00 -0.00 0.00 0.00 55.36 55.41 1mfn s GLN 88 Cb -0.01 0.51 -0.06 0.00 0.00 0.00 0.00 33.01 33.45 1mfn s GLN 88 CO -0.04 -0.36 0.51 0.00 0.00 0.00 0.00 175.29 175.40 1mfn s ALA 89 N -1.56 3.57 0.15 2.60 0.00 -1.26 0.05 121.76 125.31 1mfn s ALA 89 Ca -0.09 -0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.48 1mfn s ALA 89 Cb -0.00 -2.59 -0.07 0.00 0.00 0.00 0.00 23.12 20.46 1mfn s ALA 89 CO 0.07 0.28 1.15 0.95 0.00 0.00 0.00 175.76 178.21 1mfn s THR 90 N -0.51 3.83 1.02 0.00 -4.23 0.61 -4.82 115.64 111.53 1mfn s THR 90 Ca 0.27 1.50 -0.26 0.00 -1.18 0.00 0.00 61.69 62.02 1mfn s THR 90 Cb -0.17 -3.96 -0.15 0.00 1.34 0.00 0.00 72.50 69.56 1mfn s THR 90 CO 0.15 0.22 -1.26 0.52 -0.54 0.00 0.00 174.62 173.71 1mfn n VAL 91 N 2.76 0.00 -4.03 2.29 0.31 0.45 -1.96 118.33 118.14 1mfn n VAL 91 Ca 0.05 -0.08 -0.23 0.00 -0.01 0.00 0.00 64.34 64.06 1mfn n VAL 91 Cb 0.46 -0.10 -0.04 0.00 -0.91 0.00 0.00 33.84 33.25 1mfn n VAL 91 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1mfn s SER 92 N -1.14 5.91 -0.01 4.52 0.15 -1.26 0.28 113.70 122.15 1mfn s SER 92 Ca 0.40 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 57.03 1mfn s SER 92 Cb 0.05 -1.64 -0.25 0.00 -1.71 0.00 0.00 66.02 62.47 1mfn s SER 92 CO 0.67 -0.01 0.78 -0.78 1.20 0.00 0.00 173.24 175.10 1mfn h ASP 93 N 1.68 0.20 -3.28 5.45 1.82 -1.93 -3.31 116.42 117.04 1mfn h ASP 93 Ca -0.49 -0.32 -0.57 0.00 -0.39 0.00 0.00 57.03 55.26 1mfn h ASP 93 Cb 1.22 -0.06 0.11 0.00 0.68 0.00 0.00 39.33 41.28 1mfn h ASP 93 CO 0.63 1.28 0.51 -0.38 -1.61 0.00 0.00 179.24 179.66 1mfn n ILE 94 N -3.29 1.95 -2.45 2.25 5.41 -1.26 -4.59 119.36 117.38 1mfn n ILE 94 Ca -0.16 -0.49 -0.43 0.00 1.00 0.00 0.00 62.75 62.67 1mfn n ILE 94 Cb 1.03 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 1mfn n ILE 94 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1mfn n PRO 95 N 0.62 3.16 -1.61 0.38 -0.04 -1.26 -4.79 135.00 131.46 1mfn n PRO 95 Ca 0.05 -3.21 -0.30 0.00 -0.04 0.00 0.00 63.50 60.01 1mfn n PRO 95 Cb 0.36 -3.42 0.20 0.00 -0.04 0.00 0.00 33.50 30.60 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 3.78 0.05 -0.40 0.54 1.70 -1.26 -4.17 118.95 119.20 1mfn s ARG 96 Ca 0.52 -0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.55 1mfn s ARG 96 Cb 0.05 -1.76 0.00 0.00 -0.57 0.00 0.00 34.95 32.67 1mfn s ARG 96 CO 0.04 -2.84 0.00 -3.47 -1.08 0.00 0.00 175.30 167.96 1mfn n ASP 97 N -4.11 -3.47 -4.55 -2.89 -0.08 -1.26 0.27 116.55 100.46 1mfn n ASP 97 Ca 0.14 0.09 -0.36 0.00 -1.51 0.00 0.00 54.79 53.15 1mfn n ASP 97 Cb 0.59 -1.30 -0.03 0.00 2.34 0.00 0.00 41.12 42.72 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 -0.85 3.38 0.13 -2.67 0.20 -1.25 -3.82 118.68 113.79 1mfn s LEU 98 Ca 0.00 0.91 -0.06 0.00 0.69 0.00 0.00 54.13 55.67 1mfn s LEU 98 Cb 0.00 -2.51 -0.02 0.00 -0.43 0.00 0.00 46.19 43.23 1mfn s LEU 98 CO 0.00 -2.79 0.17 -1.83 -0.29 0.00 0.00 176.35 171.62 1mfn s GLU 99 N 8.02 0.98 0.05 1.98 -1.05 -1.00 -4.88 118.70 122.81 1mfn s GLU 99 Ca 0.91 -1.21 0.01 0.00 -0.15 0.00 0.00 54.97 54.54 1mfn s GLU 99 Cb -0.16 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 33.81 1mfn s GLU 99 CO 0.25 -0.32 0.11 0.54 0.95 0.00 0.00 175.26 176.79 1mfn s VAL 100 N -3.96 4.76 0.00 1.83 0.11 -1.26 0.52 120.40 122.39 1mfn s VAL 100 Ca 0.16 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 1mfn s VAL 100 Cb 0.05 -3.27 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 1mfn s VAL 100 CO -0.03 0.19 0.17 2.30 -3.33 0.00 0.00 175.10 174.40 1mfn n ILE 101 N 0.62 0.00 -3.36 7.04 -5.35 0.12 -4.95 119.36 113.48 1mfn n ILE 101 Ca -0.09 -0.36 -0.10 0.00 -0.27 0.00 0.00 62.75 61.92 1mfn n ILE 101 Cb 0.52 1.12 -0.08 0.00 -1.74 0.00 0.00 39.64 39.46 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 -0.40 -0.98 -0.69 -1.28 0.00 -1.25 -4.92 121.76 112.24 1mfn s ALA 102 Ca 0.00 0.71 -0.13 0.00 0.00 0.00 0.00 51.96 52.53 1mfn s ALA 102 Cb 0.00 -1.68 0.18 0.00 0.00 0.00 0.00 23.12 21.61 1mfn s ALA 102 CO 0.00 -1.33 0.62 0.45 0.00 0.00 0.00 175.76 175.50 1mfn s SER 103 N 2.51 6.37 0.70 0.00 0.15 -1.26 0.89 113.70 123.06 1mfn s SER 103 Ca 0.12 -2.37 -0.11 0.00 0.70 0.00 0.00 55.95 54.28 1mfn s SER 103 Cb -0.15 -2.16 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 1mfn s SER 103 CO -0.18 -0.65 1.09 0.42 1.20 0.00 0.00 173.24 175.13 1mfn s THR 104 N 0.68 3.55 -1.70 6.45 -4.23 0.59 -4.91 115.64 116.06 1mfn s THR 104 Ca 0.12 0.50 0.14 0.00 -1.18 0.00 0.00 61.69 61.28 1mfn s THR 104 Cb -0.18 -3.50 0.33 0.00 1.34 0.00 0.00 72.50 70.49 1mfn s THR 104 CO -0.04 -0.66 1.33 -0.81 -0.54 0.00 0.00 174.62 173.90 1mfn n PRO 105 N -2.99 0.32 -0.46 3.99 -0.04 -1.26 -2.77 135.00 131.78 1mfn n PRO 105 Ca 0.07 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1mfn n PRO 105 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.15 0.00 -3.57 0.52 -2.24 -1.26 -4.30 114.28 102.28 1mfn n THR 106 Ca 0.09 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.81 1mfn n THR 106 Cb 0.08 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.35 -0.20 0.07 3.42 1.04 -1.12 -3.06 113.70 113.52 1mfn s SER 107 Ca 0.00 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.44 1mfn s SER 107 Cb 0.00 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 1mfn s SER 107 CO 0.00 -0.35 -0.08 -0.76 0.98 0.00 0.00 173.24 173.03 1mfn s LEU 108 N -2.29 2.39 -0.61 2.42 1.43 -0.65 0.22 118.68 121.58 1mfn s LEU 108 Ca 0.08 -0.80 -0.10 0.00 -1.03 0.00 0.00 54.13 52.28 1mfn s LEU 108 Cb -0.01 -0.14 0.16 0.00 0.03 0.00 0.00 46.19 46.23 1mfn s LEU 108 CO -0.06 -0.33 0.50 -0.22 0.23 0.00 0.00 176.35 176.47 1mfn s LEU 109 N -2.37 5.98 0.87 1.79 0.20 0.26 0.06 118.68 125.46 1mfn s LEU 109 Ca 0.02 -2.29 -0.12 0.00 0.69 0.00 0.00 54.13 52.43 1mfn s LEU 109 Cb -0.02 -2.07 0.11 0.00 -0.43 0.00 0.00 46.19 43.79 1mfn s LEU 109 CO -0.02 -0.62 1.12 0.27 -0.29 0.00 0.00 176.35 176.81 1mfn s ILE 110 N 0.79 2.44 -0.29 6.68 -4.36 -0.34 0.15 121.20 126.26 1mfn s ILE 110 Ca 0.11 0.14 -0.00 0.00 -0.26 0.00 0.00 60.65 60.64 1mfn s ILE 110 Cb -0.21 -2.88 0.19 0.00 1.25 0.00 0.00 42.46 40.81 1mfn s ILE 110 CO -0.03 -0.19 0.75 -0.44 0.24 0.00 0.00 174.94 175.28 1mfn s SER 111 N -3.97 -1.19 -0.03 4.36 0.01 0.18 -2.41 113.70 110.65 1mfn s SER 111 Ca 0.63 0.16 0.02 0.00 1.31 0.00 0.00 55.95 58.07 1mfn s SER 111 Cb -0.15 1.77 -0.03 0.00 0.21 0.00 0.00 66.02 67.82 1mfn s SER 111 CO 0.54 -0.22 -0.08 -1.66 0.41 0.00 0.00 173.24 172.22 1mfn s TRP 112 N 2.88 2.87 0.44 2.43 -2.14 -1.01 -2.37 118.94 122.03 1mfn s TRP 112 Ca 0.16 -0.04 -0.22 0.00 2.66 0.00 0.00 56.10 58.66 1mfn s TRP 112 Cb -0.07 -1.65 -0.11 0.00 -3.10 0.00 0.00 33.47 28.53 1mfn s TRP 112 CO -0.25 0.32 0.71 0.39 -2.66 0.00 0.00 176.95 175.46 1mfn n GLU 113 N 1.96 0.81 -2.63 3.25 -0.58 0.76 -4.49 120.64 119.72 1mfn n GLU 113 Ca -0.17 0.30 -0.40 0.00 -0.42 0.00 0.00 57.16 56.46 1mfn n GLU 113 Cb 0.53 -1.71 -0.05 0.00 -0.57 0.00 0.00 31.44 29.64 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 -1.80 4.74 0.29 3.49 0.04 -1.26 -4.19 135.00 136.30 1mfn s PRO 114 Ca 0.64 1.61 -0.28 0.00 0.04 0.00 0.00 61.00 63.01 1mfn s PRO 114 Cb -0.57 -3.26 -0.09 0.00 0.04 0.00 0.00 34.50 30.61 1mfn s PRO 114 CO 0.57 0.33 1.00 -1.25 0.04 0.00 0.00 177.00 177.69 1mfn s PRO 115 N -1.01 4.66 -0.25 0.56 0.04 -1.26 -4.94 135.00 132.80 1mfn s PRO 115 Ca 0.44 1.55 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 1mfn s PRO 115 Cb -0.28 -3.07 0.10 0.00 0.04 0.00 0.00 34.50 31.29 1mfn s PRO 115 CO 0.35 0.30 2.28 0.00 0.04 0.00 0.00 177.00 179.97 1mfn n ALA 116 N 1.03 5.23 -2.40 8.56 0.00 -1.25 -4.85 120.51 126.84 1mfn n ALA 116 Ca -0.00 -1.58 -0.18 0.00 0.00 0.00 0.00 53.44 51.68 1mfn n ALA 116 Cb 0.47 -1.51 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.55 0.00 -0.73 0.00 -7.23 -1.26 -1.37 120.40 108.25 1mfn s VAL 117 Ca 0.33 -1.92 -0.20 0.00 -1.81 0.00 0.00 61.98 58.37 1mfn s VAL 117 Cb 0.23 -2.53 0.10 0.00 0.56 0.00 0.00 36.38 34.74 1mfn s VAL 117 CO -0.04 0.00 0.95 -0.44 -0.31 0.00 0.00 175.10 175.27 1mfn s SER 118 N -3.33 6.33 -0.17 4.85 0.01 -1.26 -5.01 113.70 115.12 1mfn s SER 118 Ca 0.39 -1.46 -0.09 0.00 1.31 0.00 0.00 55.95 56.10 1mfn s SER 118 Cb 0.02 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 1mfn s SER 118 CO 0.25 -1.23 0.13 -0.69 0.41 0.00 0.00 173.24 172.11 1mfn s VAL 119 N 3.24 5.43 -0.02 3.43 1.01 -1.26 -4.89 120.40 127.34 1mfn s VAL 119 Ca 0.23 0.19 -0.22 0.00 0.00 0.00 0.00 61.98 62.18 1mfn s VAL 119 Cb -0.14 -3.44 -0.23 0.00 0.00 0.00 0.00 36.38 32.57 1mfn s VAL 119 CO 0.03 0.50 1.09 0.08 0.00 0.00 0.00 175.10 176.80 1mfn h ARG 120 N 6.08 0.29 -2.63 2.72 0.11 -1.73 -3.45 114.38 115.77 1mfn h ARG 120 Ca -0.46 -0.29 0.12 0.00 0.10 0.00 0.00 59.98 59.45 1mfn h ARG 120 Cb 1.18 0.08 -0.03 0.00 1.11 0.00 0.00 29.97 32.30 1mfn h ARG 120 CO 0.70 0.98 0.48 1.52 0.10 0.00 0.00 179.97 183.75 1mfn s TYR 121 N -3.28 0.04 -0.03 4.08 -0.85 -1.08 -3.95 117.35 112.29 1mfn s TYR 121 Ca -0.15 -0.50 0.01 0.00 -0.52 0.00 0.00 57.07 55.92 1mfn s TYR 121 Cb 0.02 0.73 0.01 0.00 0.38 0.00 0.00 41.96 43.10 1mfn s TYR 121 CO 0.77 -1.07 -0.05 0.71 -1.52 0.00 0.00 175.55 174.39 1mfn s TYR 122 N -2.43 0.66 0.51 -3.49 1.51 -1.03 -0.12 117.35 112.96 1mfn s TYR 122 Ca 0.18 -0.16 -0.07 0.00 -1.01 0.00 0.00 57.07 56.01 1mfn s TYR 122 Cb -0.03 -0.55 -0.04 0.00 -0.11 0.00 0.00 41.96 41.22 1mfn s TYR 122 CO 0.06 -0.13 0.85 0.50 -1.11 0.00 0.00 175.55 175.72 1mfn s ARG 123 N 0.58 3.59 -0.16 -0.62 3.52 0.58 0.21 118.95 126.65 1mfn s ARG 123 Ca -0.07 0.38 -0.05 0.00 -0.13 0.00 0.00 55.73 55.85 1mfn s ARG 123 Cb -0.11 -2.30 0.08 0.00 -1.56 0.00 0.00 34.95 31.05 1mfn s ARG 123 CO 0.00 -0.28 0.32 0.42 -0.81 0.00 0.00 175.30 174.96 1mfn s ILE 124 N -2.81 -0.50 -0.13 4.11 1.01 0.13 -0.06 121.20 122.96 1mfn s ILE 124 Ca 0.50 0.23 -0.19 0.00 0.00 0.00 0.00 60.65 61.19 1mfn s ILE 124 Cb -0.10 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 1mfn s ILE 124 CO 0.45 0.09 0.50 0.42 0.00 0.00 0.00 174.94 176.41 1mfn s THR 125 N 2.49 5.16 0.25 2.92 -4.23 0.37 -0.49 115.64 122.11 1mfn s THR 125 Ca 0.00 0.99 -0.30 0.00 -1.18 0.00 0.00 61.69 61.21 1mfn s THR 125 Cb -0.12 -3.84 -0.09 0.00 1.34 0.00 0.00 72.50 69.79 1mfn s THR 125 CO -0.10 0.29 1.11 -0.31 -0.54 0.00 0.00 174.62 175.07 1mfn s TYR 126 N 0.82 3.58 -0.76 3.99 1.51 0.16 -2.01 117.35 124.64 1mfn s TYR 126 Ca 0.27 1.66 -0.08 0.00 -1.01 0.00 0.00 57.07 57.90 1mfn s TYR 126 Cb -0.15 -3.29 0.20 0.00 -0.11 0.00 0.00 41.96 38.60 1mfn s TYR 126 CO 0.11 -0.61 0.64 0.20 -1.11 0.00 0.00 175.55 174.78 1mfn s GLY 127 N -0.62 2.65 -0.10 0.71 0.00 0.61 -2.51 107.32 108.07 1mfn s GLY 127 Ca 0.46 -3.36 -0.02 0.00 0.00 0.00 0.00 44.72 41.80 1mfn s GLY 127 CO 0.39 1.19 -0.01 -0.54 0.00 0.00 0.00 173.10 174.14 1mfn s GLU 128 N -0.09 3.08 0.12 2.90 2.02 -1.10 0.19 118.70 125.82 1mfn s GLU 128 Ca 0.19 -0.43 -0.08 0.00 0.02 0.00 0.00 54.97 54.67 1mfn s GLU 128 Cb -0.14 -2.81 -0.06 0.00 0.10 0.00 0.00 34.13 31.22 1mfn s GLU 128 CO -0.07 0.63 0.40 0.95 0.02 0.00 0.00 175.26 177.20 1mfn s THR 129 N -0.69 5.11 0.00 3.63 -4.23 -1.15 -3.72 115.64 114.59 1mfn s THR 129 Ca 0.11 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1mfn s THR 129 Cb -0.12 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1mfn s THR 129 CO 0.02 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 1mfn n GLY 130 N 0.49 2.53 0.00 3.99 0.00 -1.26 -4.90 105.19 106.04 1mfn n GLY 130 Ca -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 2.74 0.00 -0.02 0.00 -1.26 -4.55 105.19 102.09 1mfn n GLY 131 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.33 0.00 0.00 1.61 0.23 -1.26 -5.02 115.26 111.15 1mfn n ASN 132 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1mfn n ASN 132 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1mfn n ASN 132 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1mfn n SER 133 N 0.00 0.00 -4.59 0.53 7.64 -1.26 -5.11 113.62 110.83 1mfn n SER 133 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1mfn n SER 133 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1mfn n SER 133 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mfn s PRO 134 N 0.00 3.56 0.04 1.43 0.04 -1.24 -5.02 135.00 133.81 1mfn s PRO 134 Ca 0.00 0.37 0.05 0.00 0.04 0.00 0.00 61.00 61.47 1mfn s PRO 134 Cb 0.00 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 1mfn s PRO 134 CO 0.00 -1.62 -0.10 0.08 0.04 0.00 0.00 177.00 175.40 1mfn s VAL 135 N 4.92 3.37 -0.33 -0.36 1.01 -1.26 -2.70 120.40 125.05 1mfn s VAL 135 Ca 0.46 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1mfn s VAL 135 Cb -0.08 -2.49 0.10 0.00 0.00 0.00 0.00 36.38 33.91 1mfn s VAL 135 CO 0.27 0.29 0.07 -1.10 0.00 0.00 0.00 175.10 174.63 1mfn s GLN 136 N -1.68 1.19 0.60 2.72 -0.21 -1.04 -4.76 119.66 116.47 1mfn s GLN 136 Ca 0.18 -1.58 -0.15 0.00 0.02 0.00 0.00 55.36 53.83 1mfn s GLN 136 Cb -0.11 -2.74 -0.03 0.00 1.00 0.00 0.00 33.01 31.13 1mfn s GLN 136 CO 0.09 -0.96 1.05 -1.83 -2.12 0.00 0.00 175.29 171.52 1mfn s GLU 137 N 1.17 3.31 -0.27 2.91 -1.05 -1.25 0.38 118.70 123.89 1mfn s GLU 137 Ca 0.11 1.16 -0.24 0.00 -0.15 0.00 0.00 54.97 55.84 1mfn s GLU 137 Cb -0.18 -2.03 0.08 0.00 -0.44 0.00 0.00 34.13 31.55 1mfn s GLU 137 CO -0.15 -0.82 0.77 -0.59 0.95 0.00 0.00 175.26 175.43 1mfn s PHE 138 N -2.54 -0.76 0.48 4.83 -0.12 0.36 -4.89 117.98 115.34 1mfn s PHE 138 Ca 0.63 1.81 -0.20 0.00 -0.05 0.00 0.00 56.93 59.11 1mfn s PHE 138 Cb -0.15 0.31 -0.08 0.00 -0.63 0.00 0.00 43.02 42.46 1mfn s PHE 138 CO 0.39 -0.36 1.04 0.95 -0.05 0.00 0.00 175.22 177.19 1mfn s THR 139 N 0.45 3.76 0.03 -4.49 -4.23 -1.26 -0.69 115.64 109.21 1mfn s THR 139 Ca -0.00 1.11 0.04 0.00 -1.18 0.00 0.00 61.69 61.67 1mfn s THR 139 Cb -0.05 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.30 1mfn s THR 139 CO -0.02 -0.22 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.07 1mfn s VAL 140 N -1.95 3.52 0.08 2.29 1.01 0.56 -4.89 120.40 121.01 1mfn s VAL 140 Ca 0.67 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1mfn s VAL 140 Cb -0.17 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1mfn s VAL 140 CO 0.21 0.33 1.06 -2.16 0.00 0.00 0.00 175.10 174.53 1mfn s PRO 141 N -1.58 4.56 -0.18 2.72 0.04 -1.26 -2.46 135.00 136.84 1mfn s PRO 141 Ca 0.18 1.58 -0.00 0.00 0.04 0.00 0.00 61.00 62.80 1mfn s PRO 141 Cb -0.11 -3.37 0.15 0.00 0.04 0.00 0.00 34.50 31.20 1mfn s PRO 141 CO 0.09 -0.02 1.84 0.41 0.04 0.00 0.00 177.00 179.35 1mfn n GLY 142 N 2.66 3.31 0.60 0.56 0.00 -1.25 -3.90 105.19 107.18 1mfn n GLY 142 Ca 0.05 -0.59 0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 0.61 2.22 -3.62 1.61 7.64 -1.26 -5.01 113.62 115.80 1mfn n SER 143 Ca 0.18 -1.61 -0.06 0.00 1.01 0.00 0.00 58.87 58.40 1mfn n SER 143 Cb 0.62 0.15 -0.01 0.00 -1.01 0.00 0.00 64.21 63.96 1mfn n SER 143 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1mfn s LYS 144 N -1.62 1.62 0.00 1.43 1.02 -1.25 -5.05 119.74 115.89 1mfn s LYS 144 Ca 0.18 -0.94 0.20 0.00 0.02 0.00 0.00 55.97 55.43 1mfn s LYS 144 Cb 0.14 0.52 -0.20 0.00 -0.52 0.00 0.00 37.83 37.77 1mfn s LYS 144 CO 0.28 -0.75 0.60 -1.13 -0.92 0.00 0.00 175.35 173.43 1mfn n SER 145 N -0.69 0.41 -4.93 2.83 3.41 -1.26 -4.94 113.62 108.44 1mfn n SER 145 Ca -0.05 0.17 -0.20 0.00 -0.26 0.00 0.00 58.87 58.53 1mfn n SER 145 Cb 0.60 0.97 -0.02 0.00 -0.26 0.00 0.00 64.21 65.50 1mfn n SER 145 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1mfn s THR 146 N -3.10 4.17 0.30 6.66 -4.23 -1.26 -2.41 115.64 115.76 1mfn s THR 146 Ca -0.06 -1.13 -0.12 0.00 -1.18 0.00 0.00 61.69 59.20 1mfn s THR 146 Cb 0.10 -3.43 0.01 0.00 1.34 0.00 0.00 72.50 70.52 1mfn s THR 146 CO 0.84 -0.21 0.57 0.00 -0.54 0.00 0.00 174.62 175.28 1mfn s ALA 147 N -2.17 -0.26 0.12 3.99 0.00 -1.01 -4.95 121.76 117.47 1mfn s ALA 147 Ca 0.41 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.50 1mfn s ALA 147 Cb -0.08 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1mfn s ALA 147 CO 0.29 -0.89 0.13 -0.08 0.00 0.00 0.00 175.76 175.21 1mfn s THR 148 N -3.50 4.68 -0.51 0.00 -1.32 -1.26 -1.20 115.64 112.53 1mfn s THR 148 Ca 0.21 -0.84 0.06 0.00 -1.21 0.00 0.00 61.69 59.91 1mfn s THR 148 Cb -0.02 -3.33 0.22 0.00 -1.51 0.00 0.00 72.50 67.86 1mfn s THR 148 CO 0.12 0.02 0.55 -0.38 -2.21 0.00 0.00 174.62 172.71 1mfn n ILE 149 N 0.03 0.43 -0.02 5.08 2.08 0.11 -4.88 119.36 122.18 1mfn n ILE 149 Ca -0.08 -4.37 0.00 0.00 0.56 0.00 0.00 62.75 58.86 1mfn n ILE 149 Cb 0.53 -1.97 0.00 0.00 -0.75 0.00 0.00 39.64 37.45 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 1.61 0.00 -2.05 4.38 4.13 -1.26 -1.64 115.26 120.43 1mfn n ASN 150 Ca 0.25 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.48 1mfn n ASN 150 Cb 0.46 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.69 1mfn n ASN 150 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1mfn n ASN 151 N 0.00 -1.56 -4.93 6.41 4.13 -1.20 -4.76 115.26 113.36 1mfn n ASN 151 Ca 0.00 0.31 -0.26 0.00 1.68 0.00 0.00 54.58 56.32 1mfn n ASN 151 Cb 0.00 -1.54 -0.02 0.00 -1.54 0.00 0.00 39.78 36.69 1mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1mfn s ILE 152 N -1.90 5.07 -0.21 2.41 2.07 -1.17 -5.06 121.20 122.42 1mfn s ILE 152 Ca 0.00 -0.27 -0.02 0.00 -1.41 0.00 0.00 60.65 58.95 1mfn s ILE 152 Cb 0.00 -3.82 -0.00 0.00 0.13 0.00 0.00 42.46 38.77 1mfn s ILE 152 CO 0.00 -0.50 -0.09 -0.54 -1.91 0.00 0.00 174.94 171.90 1mfn s LYS 153 N -4.09 3.28 0.38 3.50 -0.14 -1.26 -4.74 119.74 116.66 1mfn s LYS 153 Ca 0.41 -0.68 -0.24 0.00 -1.36 0.00 0.00 55.97 54.10 1mfn s LYS 153 Cb -0.10 -2.87 -0.10 0.00 -1.68 0.00 0.00 37.83 33.08 1mfn s LYS 153 CO 0.35 -0.18 0.99 -1.25 -0.76 0.00 0.00 175.35 174.50 1mfn s PRO 154 N 1.37 4.33 0.00 -1.68 0.04 -1.26 -4.51 135.00 133.29 1mfn s PRO 154 Ca 0.05 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1mfn s PRO 154 Cb -0.14 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1mfn s PRO 154 CO -0.05 0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1mfn n GLY 155 N 0.20 0.91 0.00 0.56 0.00 -0.46 -5.04 105.19 101.36 1mfn n GLY 155 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.47 0.00 -0.84 4.61 0.00 -1.26 -5.02 120.51 117.53 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 0.16 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.71 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 -3.07 -2.78 0.00 2.03 -1.26 -2.43 116.55 109.04 1mfn n ASP 157 Ca 0.00 0.04 -0.14 0.00 0.52 0.00 0.00 54.79 55.21 1mfn n ASP 157 Cb 0.00 -0.84 -0.04 0.00 -0.72 0.00 0.00 41.12 39.52 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 -3.72 -1.04 -3.70 -0.67 4.02 0.51 -2.94 117.16 109.62 1mfn n TYR 158 Ca 0.01 -2.16 -0.09 0.00 -0.01 0.00 0.00 57.90 55.65 1mfn n TYR 158 Cb 0.64 0.38 -0.03 0.00 -0.02 0.00 0.00 39.34 40.31 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 -2.92 0.01 -0.22 -0.72 2.01 0.51 -1.48 115.64 112.84 1mfn s THR 159 Ca 0.28 -0.66 -0.14 0.00 0.31 0.00 0.00 61.69 61.48 1mfn s THR 159 Cb 0.00 -1.57 0.06 0.00 0.01 0.00 0.00 72.50 71.00 1mfn s THR 159 CO 0.20 -0.05 0.54 -0.63 -0.69 0.00 0.00 174.62 173.99 1mfn s ILE 160 N -3.86 -0.01 0.26 1.82 1.01 -1.04 0.23 121.20 119.61 1mfn s ILE 160 Ca 0.08 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1mfn s ILE 160 Cb -0.02 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 1mfn s ILE 160 CO -0.02 0.02 0.14 -0.89 0.00 0.00 0.00 174.94 174.18 1mfn s THR 161 N 1.20 0.28 -0.07 2.92 2.01 -0.85 0.53 115.64 121.66 1mfn s THR 161 Ca -0.07 -2.00 -0.30 0.00 0.31 0.00 0.00 61.69 59.63 1mfn s THR 161 Cb -0.06 -2.54 0.09 0.00 0.01 0.00 0.00 72.50 70.00 1mfn s THR 161 CO -0.12 0.00 0.79 -1.48 -0.69 0.00 0.00 174.62 173.13 1mfn s LEU 162 N -3.29 -0.54 -0.14 4.42 2.34 -0.71 -0.48 118.68 120.28 1mfn s LEU 162 Ca 0.38 0.50 0.00 0.00 0.06 0.00 0.00 54.13 55.07 1mfn s LEU 162 Cb 0.06 2.28 0.02 0.00 -0.56 0.00 0.00 46.19 48.00 1mfn s LEU 162 CO 0.15 -0.55 -0.14 -0.31 -1.06 0.00 0.00 176.35 174.44 1mfn s TYR 163 N -1.51 2.07 -0.73 3.48 1.51 0.92 -2.34 117.35 120.75 1mfn s TYR 163 Ca -0.06 -1.13 -0.26 0.00 -1.01 0.00 0.00 57.07 54.61 1mfn s TYR 163 Cb -0.00 -1.53 0.04 0.00 -0.11 0.00 0.00 41.96 40.35 1mfn s TYR 163 CO 0.04 -0.63 1.22 0.00 -1.11 0.00 0.00 175.55 175.08 1mfn s ALA 164 N 1.44 2.82 0.31 3.71 0.00 -1.26 0.21 121.76 128.99 1mfn s ALA 164 Ca 0.03 -1.48 -0.27 0.00 0.00 0.00 0.00 51.96 50.24 1mfn s ALA 164 Cb -0.13 -4.19 -0.09 0.00 0.00 0.00 0.00 23.12 18.71 1mfn s ALA 164 CO -0.09 -3.20 0.98 0.08 0.00 0.00 0.00 175.76 173.53 1mfn s VAL 165 N 5.39 4.00 0.00 0.00 1.01 0.83 -1.28 120.40 130.35 1mfn s VAL 165 Ca 0.33 1.76 0.00 0.00 0.00 0.00 0.00 61.98 64.07 1mfn s VAL 165 Cb -0.10 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1mfn s VAL 165 CO 0.13 0.24 0.00 0.35 0.00 0.00 0.00 175.10 175.82 1mfn n THR 166 N 0.77 0.00 -0.02 3.92 -2.24 0.97 -2.60 114.28 115.08 1mfn n THR 166 Ca 0.01 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1mfn n THR 166 Cb 0.49 -0.23 0.01 0.00 -2.10 0.00 0.00 70.33 68.49 1mfn n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 167 N 1.79 -2.49 0.00 3.38 0.00 -1.24 -4.51 105.19 102.12 1mfn n GLY 167 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1mfn n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfn n ARG 168 N -1.39 3.57 0.09 1.61 1.74 -1.06 -4.54 116.66 116.68 1mfn n ARG 168 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.92 1mfn n ARG 168 Cb 0.02 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.31 1mfn n ARG 168 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1mfn h GLY 169 N 0.00 0.32 1.11 -0.13 0.00 -1.97 0.25 103.07 102.66 1mfn h GLY 169 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.51 1mfn h GLY 169 CO 0.00 0.72 0.00 1.22 0.00 0.00 0.00 176.54 178.48 1mfn n ASP 170 N -3.51 0.00 0.00 0.19 9.92 -1.26 -4.40 116.55 117.48 1mfn n ASP 170 Ca -0.12 -0.60 0.00 0.00 -0.53 0.00 0.00 54.79 53.55 1mfn n ASP 170 Cb 1.04 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 41.46 1mfn n ASP 170 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1mfn n SER 171 N -1.06 0.00 -4.28 -2.24 7.64 -1.20 -5.17 113.62 107.32 1mfn n SER 171 Ca 0.16 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.75 1mfn n SER 171 Cb 0.10 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.62 -0.22 1.43 0.04 0.88 -2.56 135.00 135.18 1mfn s PRO 172 Ca 0.00 -0.20 -0.13 0.00 0.04 0.00 0.00 61.00 60.71 1mfn s PRO 172 Cb 0.00 -1.82 0.07 0.00 0.04 0.00 0.00 34.50 32.78 1mfn s PRO 172 CO 0.00 -2.46 0.55 0.00 0.04 0.00 0.00 177.00 175.13 1mfn s ALA 173 N -3.64 -1.45 -0.37 8.56 0.00 -1.26 -4.63 121.76 118.97 1mfn s ALA 173 Ca 0.70 1.94 -0.04 0.00 0.00 0.00 0.00 51.96 54.57 1mfn s ALA 173 Cb -0.07 -1.15 0.08 0.00 0.00 0.00 0.00 23.12 21.98 1mfn s ALA 173 CO 0.53 -0.32 0.14 -1.54 0.00 0.00 0.00 175.76 174.57 1mfn s SER 174 N 1.42 5.21 1.04 0.00 1.04 -1.26 -0.02 113.70 121.12 1mfn s SER 174 Ca -0.09 -1.64 -0.20 0.00 0.48 0.00 0.00 55.95 54.51 1mfn s SER 174 Cb -0.06 -1.82 -0.03 0.00 0.10 0.00 0.00 66.02 64.20 1mfn s SER 174 CO -0.15 -0.43 -0.47 -1.54 0.98 0.00 0.00 173.24 171.63 1mfn n SER 175 N 4.67 -3.09 -4.56 7.02 3.41 -0.40 -4.63 113.62 116.04 1mfn n SER 175 Ca -0.08 0.05 -0.60 0.00 -0.26 0.00 0.00 58.87 57.98 1mfn n SER 175 Cb 0.42 -0.85 -0.08 0.00 -0.26 0.00 0.00 64.21 63.44 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 -0.03 0.15 -2.59 4.33 4.01 -1.26 -4.22 118.16 118.54 1mfn n LYS 176 Ca 0.01 0.05 -0.42 0.00 -0.51 0.00 0.00 58.31 57.44 1mfn n LYS 176 Cb 0.63 -1.57 -0.03 0.00 -0.51 0.00 0.00 35.03 33.55 1mfn n LYS 176 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1mfn s PRO 177 N 0.70 4.54 -0.07 1.97 0.04 -1.26 -4.69 135.00 136.23 1mfn s PRO 177 Ca 0.93 1.58 0.03 0.00 0.04 0.00 0.00 61.00 63.58 1mfn s PRO 177 Cb -1.28 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 29.86 1mfn s PRO 177 CO 0.61 -0.07 -0.14 0.08 0.04 0.00 0.00 177.00 177.52 1mfn s VAL 178 N 0.72 3.02 0.25 -0.36 1.01 -0.99 -4.92 120.40 119.14 1mfn s VAL 178 Ca 0.53 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1mfn s VAL 178 Cb -0.25 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1mfn s VAL 178 CO 0.30 0.57 -0.01 -0.94 0.00 0.00 0.00 175.10 175.02 1mfn s SER 179 N -0.46 2.11 0.02 3.32 1.04 -1.26 -1.74 113.70 116.73 1mfn s SER 179 Ca 0.06 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.27 1mfn s SER 179 Cb -0.12 -0.04 -0.00 0.00 0.10 0.00 0.00 66.02 65.96 1mfn s SER 179 CO 0.02 -0.48 0.02 2.30 0.98 0.00 0.00 173.24 176.08 1mfn n ILE 180 N -0.48 0.00 -4.55 -1.02 -5.35 0.19 -4.96 119.36 103.19 1mfn n ILE 180 Ca -0.05 -0.12 -0.27 0.00 -0.27 0.00 0.00 62.75 62.04 1mfn n ILE 180 Cb 0.64 0.06 -0.10 0.00 -1.74 0.00 0.00 39.64 38.50 1mfn n ILE 180 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1mfn s ASN 181 N -1.12 3.95 0.14 7.28 0.02 -1.26 -2.50 114.94 121.45 1mfn s ASN 181 Ca 0.02 -1.32 -0.25 0.00 -1.02 0.00 0.00 52.86 50.30 1mfn s ASN 181 Cb 0.00 -0.41 0.06 0.00 0.02 0.00 0.00 41.25 40.92 1mfn s ASN 181 CO 0.01 -0.45 0.85 -0.47 0.02 0.00 0.00 177.10 177.07 1mfn s TYR 182 N -2.69 -0.24 -0.12 2.20 5.04 -0.55 -4.72 117.35 116.28 1mfn s TYR 182 Ca 0.36 -0.04 -0.06 0.00 -2.44 0.00 0.00 57.07 54.88 1mfn s TYR 182 Cb 0.09 0.62 0.05 0.00 0.35 0.00 0.00 41.96 43.07 1mfn s TYR 182 CO 0.19 -0.85 0.28 -1.59 -1.34 0.00 0.00 175.55 172.24 1mfn s LYS 183 N -3.43 0.24 0.00 4.97 -2.85 -1.26 0.19 119.74 117.60 1mfn s LYS 183 Ca 0.09 0.60 0.20 0.00 -1.00 0.00 0.00 55.97 55.86 1mfn s LYS 183 Cb -0.02 -0.09 0.16 0.00 -2.06 0.00 0.00 37.83 35.81 1mfn s LYS 183 CO -0.01 -0.17 1.12 0.25 0.10 0.00 0.00 175.35 176.64