#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 -4.34 0.99 4.77 -1.26 -4.82 117.00 112.34 1mfn n LEU 2 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1mfn n LEU 2 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1mfn n LEU 2 CO 0.00 -0.08 1.87 0.47 -1.33 0.00 0.00 177.39 178.31 1mfn n ASP 3 N -0.26 3.62 -4.49 -1.43 8.00 -1.26 -4.65 116.55 116.08 1mfn n ASP 3 Ca 0.00 -2.78 -0.43 0.00 0.71 0.00 0.00 54.79 52.29 1mfn n ASP 3 Cb 0.00 -1.63 -0.08 0.00 -0.02 0.00 0.00 41.12 39.39 1mfn n ASP 3 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1mfn s SER 4 N 5.23 6.22 0.35 -2.24 0.01 -1.26 -4.54 113.70 117.48 1mfn s SER 4 Ca 0.60 -0.64 -0.25 0.00 1.31 0.00 0.00 55.95 56.98 1mfn s SER 4 Cb 0.05 -2.25 -0.10 0.00 0.21 0.00 0.00 66.02 63.93 1mfn s SER 4 CO 0.09 -0.65 0.95 -2.16 0.41 0.00 0.00 173.24 171.89 1mfn s PRO 5 N 2.31 4.49 0.07 12.44 0.04 -1.26 -4.43 135.00 148.66 1mfn s PRO 5 Ca 0.14 1.30 -0.03 0.00 0.04 0.00 0.00 61.00 62.46 1mfn s PRO 5 Cb -0.17 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.72 1mfn s PRO 5 CO 0.14 0.19 0.16 0.25 0.04 0.00 0.00 177.00 177.79 1mfn n THR 6 N 0.29 0.00 -2.12 1.26 -2.24 -1.26 -4.67 114.28 105.54 1mfn n THR 6 Ca 0.03 -0.17 -0.06 0.00 -2.27 0.00 0.00 64.05 61.58 1mfn n THR 6 Cb 0.51 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.91 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 -0.11 -0.22 0.00 3.38 0.00 -1.26 -4.16 105.19 102.82 1mfn n GLY 7 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1mfn n GLY 7 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1mfn n PHE 8 N -2.50 -0.87 -3.34 1.61 -1.74 -1.26 -4.64 117.46 104.72 1mfn n PHE 8 Ca -0.07 0.00 -0.00 0.00 -0.56 0.00 0.00 57.45 56.82 1mfn n PHE 8 Cb 0.45 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.46 1mfn n PHE 8 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1mfn n ASP 9 N -0.49 -0.19 -3.68 5.98 -0.08 0.18 -4.92 116.55 113.35 1mfn n ASP 9 Ca 0.00 -1.11 -0.11 0.00 -1.51 0.00 0.00 54.79 52.06 1mfn n ASP 9 Cb 0.00 0.31 -0.09 0.00 2.34 0.00 0.00 41.12 43.68 1mfn n ASP 9 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1mfn s SER 10 N -1.23 -0.62 0.00 1.67 1.04 -1.26 -1.36 113.70 111.93 1mfn s SER 10 Ca 0.02 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.53 1mfn s SER 10 Cb -0.00 1.00 0.00 0.00 0.10 0.00 0.00 66.02 67.12 1mfn s SER 10 CO 0.01 -0.20 0.00 -1.54 0.98 0.00 0.00 173.24 172.49 1mfn n SER 11 N 3.83 0.00 -3.14 7.02 3.41 -0.79 -4.89 113.62 119.05 1mfn n SER 11 Ca -0.20 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.24 1mfn n SER 11 Cb 0.56 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1mfn n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mfn n ASP 12 N 0.00 -2.60 -4.82 4.04 9.92 -1.26 -1.30 116.55 120.53 1mfn n ASP 12 Ca 0.00 -0.16 -0.30 0.00 -0.53 0.00 0.00 54.79 53.80 1mfn n ASP 12 Cb 0.00 -2.23 0.07 0.00 -0.64 0.00 0.00 41.12 38.32 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 -2.64 3.40 0.00 0.53 1.01 -1.26 -1.50 121.20 120.73 1mfn s ILE 13 Ca 0.28 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.39 1mfn s ILE 13 Cb -0.16 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1mfn s ILE 13 CO 0.35 -0.59 0.00 0.35 0.00 0.00 0.00 174.94 175.05 1mfn n THR 14 N -3.29 0.00 -0.07 2.92 -2.24 0.70 -4.83 114.28 107.48 1mfn n THR 14 Ca 0.07 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 1mfn n THR 14 Cb 0.56 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.66 1mfn n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mfn h ALA 15 N 1.49 0.24 -0.42 6.98 0.00 -1.09 0.13 119.26 126.59 1mfn h ALA 15 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1mfn h ALA 15 Cb 0.00 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1mfn h ALA 15 CO 0.00 0.73 0.00 0.27 0.00 0.00 0.00 179.25 180.25 1mfn n ASN 16 N -4.24 4.79 -3.59 0.00 2.04 -1.25 -2.67 115.26 110.34 1mfn n ASN 16 Ca -0.28 -2.95 -0.07 0.00 -0.44 0.00 0.00 54.58 50.83 1mfn n ASN 16 Cb 0.75 -0.61 -0.04 0.00 -2.53 0.00 0.00 39.78 37.35 1mfn n ASN 16 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1mfn s SER 17 N -1.36 -0.23 -0.27 0.53 1.04 -1.26 -0.20 113.70 111.96 1mfn s SER 17 Ca 0.48 0.18 -0.25 0.00 0.48 0.00 0.00 55.95 56.83 1mfn s SER 17 Cb 0.38 0.21 0.11 0.00 0.10 0.00 0.00 66.02 66.81 1mfn s SER 17 CO 0.13 -0.27 0.96 0.72 0.98 0.00 0.00 173.24 175.76 1mfn s PHE 18 N -1.59 -0.54 0.45 5.02 -0.12 -0.43 0.25 117.98 121.03 1mfn s PHE 18 Ca 0.04 1.29 -0.04 0.00 -0.05 0.00 0.00 56.93 58.18 1mfn s PHE 18 Cb -0.01 0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1mfn s PHE 18 CO -0.03 -0.27 0.73 0.99 -0.05 0.00 0.00 175.22 176.58 1mfn s THR 19 N 0.16 4.87 -0.05 -4.49 2.01 -0.42 -0.41 115.64 117.31 1mfn s THR 19 Ca 0.02 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 1mfn s THR 19 Cb -0.05 -3.84 0.03 0.00 0.01 0.00 0.00 72.50 68.66 1mfn s THR 19 CO -0.04 -0.75 0.02 -0.69 -0.69 0.00 0.00 174.62 172.47 1mfn s VAL 20 N -2.65 0.18 0.13 3.82 1.01 -0.71 -1.88 120.40 120.29 1mfn s VAL 20 Ca 0.46 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1mfn s VAL 20 Cb -0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1mfn s VAL 20 CO 0.43 0.21 0.28 -1.00 0.00 0.00 0.00 175.10 175.01 1mfn s HIS 21 N 1.80 3.50 -0.28 5.22 3.76 -0.47 -2.12 115.29 126.71 1mfn s HIS 21 Ca 0.01 0.21 -0.19 0.00 -0.15 0.00 0.00 55.06 54.95 1mfn s HIS 21 Cb -0.12 -1.74 0.09 0.00 1.11 0.00 0.00 32.58 31.91 1mfn s HIS 21 CO -0.04 0.51 0.75 1.67 -0.85 0.00 0.00 174.74 176.79 1mfn s TRP 22 N -1.68 -0.90 0.93 1.40 -2.14 0.22 0.48 118.94 117.25 1mfn s TRP 22 Ca 0.36 1.91 -0.13 0.00 2.66 0.00 0.00 56.10 60.90 1mfn s TRP 22 Cb -0.12 0.49 0.15 0.00 -3.10 0.00 0.00 33.47 30.89 1mfn s TRP 22 CO 0.28 -0.44 1.14 0.08 -2.66 0.00 0.00 176.95 175.35 1mfn s VAL 23 N 1.16 1.98 0.23 -0.66 1.01 -1.26 -4.70 120.40 118.17 1mfn s VAL 23 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 61.98 61.97 1mfn s VAL 23 Cb -0.05 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1mfn s VAL 23 CO -0.13 0.00 0.33 0.00 0.00 0.00 0.00 175.10 175.31 1mfn s ALA 24 N -3.26 3.89 1.00 5.51 0.00 -1.26 -4.41 121.76 123.23 1mfn s ALA 24 Ca 0.65 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1mfn s ALA 24 Cb -0.15 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1mfn s ALA 24 CO 0.54 0.27 0.00 -0.35 0.00 0.00 0.00 175.76 176.21 1mfn n PRO 25 N -1.31 1.17 -0.03 0.00 -0.04 -1.26 -4.92 135.00 128.61 1mfn n PRO 25 Ca -0.09 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.45 1mfn n PRO 25 Cb 0.57 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.11 1mfn n PRO 25 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mfn n ARG 26 N 0.00 1.35 -3.78 0.54 1.74 -1.26 -4.98 116.66 110.27 1mfn n ARG 26 Ca 0.00 -1.52 -0.21 0.00 -0.77 0.00 0.00 57.85 55.35 1mfn n ARG 26 Cb 0.00 -1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 1mfn n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mfn s ALA 27 N -1.26 3.91 0.29 7.54 0.00 -1.26 -5.07 121.76 125.90 1mfn s ALA 27 Ca 0.20 -1.55 -0.28 0.00 0.00 0.00 0.00 51.96 50.32 1mfn s ALA 27 Cb 0.13 -1.35 -0.09 0.00 0.00 0.00 0.00 23.12 21.81 1mfn s ALA 27 CO 0.20 0.04 1.01 -1.25 0.00 0.00 0.00 175.76 175.76 1mfn s PRO 28 N -4.02 4.66 0.17 0.00 0.04 -1.26 -4.82 135.00 129.77 1mfn s PRO 28 Ca 0.40 1.57 0.03 0.00 0.04 0.00 0.00 61.00 63.04 1mfn s PRO 28 Cb -0.07 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 1mfn s PRO 28 CO 0.28 0.30 -0.03 0.96 0.04 0.00 0.00 177.00 178.55 1mfn s ILE 29 N -1.30 0.83 -0.32 0.56 -4.36 -1.26 -4.76 121.20 110.59 1mfn s ILE 29 Ca 0.46 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.87 1mfn s ILE 29 Cb -0.26 -2.06 0.03 0.00 1.25 0.00 0.00 42.46 41.41 1mfn s ILE 29 CO 0.33 -0.54 0.67 0.35 0.24 0.00 0.00 174.94 175.99 1mfn n THR 30 N -0.24 0.18 0.00 8.37 -2.24 0.04 -4.88 114.28 115.51 1mfn n THR 30 Ca -0.08 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1mfn n THR 30 Cb 0.63 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.08 2.52 3.03 3.38 0.00 -1.18 -4.19 105.19 108.83 1mfn n GLY 31 Ca 0.02 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.00 1.92 -0.28 1.61 1.51 0.16 -1.77 117.35 118.50 1mfn s TYR 32 Ca 0.00 -0.93 -0.22 0.00 -1.01 0.00 0.00 57.07 54.90 1mfn s TYR 32 Cb 0.00 -1.41 -0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1mfn s TYR 32 CO 0.00 -0.50 0.73 0.42 -1.11 0.00 0.00 175.55 175.09 1mfn s ILE 33 N 1.13 4.88 -0.35 2.71 -1.09 0.88 0.12 121.20 129.47 1mfn s ILE 33 Ca -0.04 1.21 -0.08 0.00 -2.23 0.00 0.00 60.65 59.50 1mfn s ILE 33 Cb -0.14 -4.06 0.03 0.00 -1.58 0.00 0.00 42.46 36.71 1mfn s ILE 33 CO -0.04 -0.12 0.15 -0.63 -1.23 0.00 0.00 174.94 173.08 1mfn s ILE 34 N 2.75 4.15 -0.03 2.92 -1.09 0.50 0.89 121.20 131.30 1mfn s ILE 34 Ca 0.30 -1.00 0.01 0.00 -2.23 0.00 0.00 60.65 57.74 1mfn s ILE 34 Cb -0.15 -3.33 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 1mfn s ILE 34 CO 0.10 -0.20 -0.03 -0.60 -1.23 0.00 0.00 174.94 172.98 1mfn s ARG 35 N 1.47 2.75 0.08 2.79 3.52 -0.49 0.21 118.95 129.27 1mfn s ARG 35 Ca 0.00 -0.59 0.04 0.00 -0.13 0.00 0.00 55.73 55.05 1mfn s ARG 35 Cb -0.19 -2.63 -0.03 0.00 -1.56 0.00 0.00 34.95 30.54 1mfn s ARG 35 CO 0.05 0.64 -0.12 -3.38 -0.81 0.00 0.00 175.30 171.68 1mfn s HIS 36 N -0.97 1.10 -0.29 5.12 -3.43 -1.05 0.18 115.29 115.95 1mfn s HIS 36 Ca 0.16 -0.52 -0.15 0.00 -0.80 0.00 0.00 55.06 53.75 1mfn s HIS 36 Cb -0.11 -0.61 0.15 0.00 -1.43 0.00 0.00 32.58 30.57 1mfn s HIS 36 CO 0.06 0.03 0.95 -3.38 -2.00 0.00 0.00 174.74 170.40 1mfn s HIS 37 N -1.66 -0.67 0.99 0.38 -3.43 0.89 -2.74 115.29 109.06 1mfn s HIS 37 Ca -0.01 1.26 -0.17 0.00 -0.80 0.00 0.00 55.06 55.35 1mfn s HIS 37 Cb -0.08 0.40 0.06 0.00 -1.43 0.00 0.00 32.58 31.53 1mfn s HIS 37 CO 0.01 -0.33 -0.18 0.00 -2.00 0.00 0.00 174.74 172.24 1mfn n ALA 38 N 4.19 -2.17 0.06 -1.38 0.00 -1.26 -1.32 120.51 118.62 1mfn n ALA 38 Ca -0.16 -1.08 0.03 0.00 0.00 0.00 0.00 53.44 52.23 1mfn n ALA 38 Cb 0.56 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 1mfn n ALA 38 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1mfn h GLU 39 N -2.11 0.00 0.00 0.00 5.08 -1.87 -3.40 114.58 112.28 1mfn h GLU 39 Ca -0.33 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 1mfn h GLU 39 Cb 0.99 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 1mfn h GLU 39 CO 0.22 0.24 -0.08 -2.39 -1.00 0.00 0.00 179.01 176.00 1mfn n HIS 40 N -2.88 0.00 -2.14 4.33 1.44 -1.26 -5.10 115.22 109.61 1mfn n HIS 40 Ca -0.06 -0.13 -0.28 0.00 -2.01 0.00 0.00 57.72 55.23 1mfn n HIS 40 Cb 0.77 0.30 0.04 0.00 0.12 0.00 0.00 29.99 31.22 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 -0.27 5.45 0.00 4.39 1.04 -1.26 -4.96 113.70 118.09 1mfn s SER 41 Ca 0.00 0.89 0.29 0.00 0.48 0.00 0.00 55.95 57.61 1mfn s SER 41 Cb 0.00 -1.76 1.25 0.00 0.10 0.00 0.00 66.02 65.61 1mfn s SER 41 CO 0.00 -1.24 1.86 0.52 0.98 0.00 0.00 173.24 175.36 1mfn n VAL 42 N -2.81 0.00 -0.22 5.02 0.31 -1.26 -4.89 118.33 114.48 1mfn n VAL 42 Ca 0.06 -0.17 -0.16 0.00 -0.01 0.00 0.00 64.34 64.05 1mfn n VAL 42 Cb 0.58 0.22 0.15 0.00 -0.91 0.00 0.00 33.84 33.88 1mfn n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mfn n GLY 43 N 1.15 -3.68 3.41 2.92 0.00 -1.26 -5.02 105.19 102.71 1mfn n GLY 43 Ca 0.20 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 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 -4.14 2.30 -0.21 1.61 3.00 -1.26 -4.97 118.95 115.27 1mfn s ARG 44 Ca 0.36 -0.82 -0.29 0.00 0.00 0.00 0.00 55.73 54.98 1mfn s ARG 44 Cb -0.06 -2.23 0.00 0.00 0.00 0.00 0.00 34.95 32.67 1mfn s ARG 44 CO 0.30 0.59 1.10 -1.25 0.00 0.00 0.00 175.30 176.03 1mfn s PRO 45 N -0.77 4.26 0.49 3.54 0.04 -1.26 -4.91 135.00 136.38 1mfn s PRO 45 Ca 0.11 1.44 0.07 0.00 0.04 0.00 0.00 61.00 62.66 1mfn s PRO 45 Cb -0.10 -3.67 0.02 0.00 0.04 0.00 0.00 34.50 30.79 1mfn s PRO 45 CO 0.00 -0.64 0.46 1.03 0.04 0.00 0.00 177.00 177.89 1mfn s ARG 46 N 3.26 2.40 -0.30 4.56 0.52 -1.11 -4.97 118.95 123.31 1mfn s ARG 46 Ca 0.47 -1.73 0.02 0.00 -0.52 0.00 0.00 55.73 53.97 1mfn s ARG 46 Cb -0.17 -2.33 0.08 0.00 0.52 0.00 0.00 34.95 33.06 1mfn s ARG 46 CO 0.08 -0.47 0.01 -0.65 0.02 0.00 0.00 175.30 174.29 1mfn s GLN 47 N -4.28 1.51 -0.38 3.54 -0.21 -1.26 -2.52 119.66 116.06 1mfn s GLN 47 Ca 0.46 -1.46 -0.15 0.00 0.02 0.00 0.00 55.36 54.23 1mfn s GLN 47 Cb -0.03 -2.81 0.00 0.00 1.00 0.00 0.00 33.01 31.17 1mfn s GLN 47 CO 0.27 -0.81 0.34 -0.51 -2.12 0.00 0.00 175.29 172.46 1mfn s ASP 48 N 1.16 6.14 0.17 5.90 1.11 0.55 -4.92 116.67 126.79 1mfn s ASP 48 Ca 0.04 -0.54 -0.02 0.00 0.18 0.00 0.00 52.55 52.21 1mfn s ASP 48 Cb -0.19 -2.18 -0.05 0.00 1.07 0.00 0.00 42.92 41.58 1mfn s ASP 48 CO -0.10 -0.39 0.37 -0.13 1.18 0.00 0.00 175.17 176.10 1mfn s ARG 49 N 1.89 3.54 0.14 8.23 3.00 -1.26 0.19 118.95 134.69 1mfn s ARG 49 Ca 0.09 -0.28 0.02 0.00 0.00 0.00 0.00 55.73 55.56 1mfn s ARG 49 Cb -0.17 -2.86 -0.04 0.00 0.00 0.00 0.00 34.95 31.87 1mfn s ARG 49 CO 0.11 0.43 -0.04 0.14 0.00 0.00 0.00 175.30 175.95 1mfn s VAL 50 N -1.78 0.78 0.96 3.52 -7.23 0.32 -4.80 120.40 112.17 1mfn s VAL 50 Ca 0.39 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.43 1mfn s VAL 50 Cb -0.11 -1.93 0.17 0.00 0.56 0.00 0.00 36.38 35.07 1mfn s VAL 50 CO 0.28 -0.66 1.21 -2.16 -0.31 0.00 0.00 175.10 173.46 1mfn s PRO 51 N -3.85 0.75 0.25 4.82 0.04 -1.26 0.40 135.00 136.14 1mfn s PRO 51 Ca 0.19 -0.06 0.26 0.00 0.04 0.00 0.00 61.00 61.42 1mfn s PRO 51 Cb 0.05 -1.83 0.83 0.00 0.04 0.00 0.00 34.50 33.59 1mfn s PRO 51 CO 0.00 -2.40 1.76 -1.00 0.04 0.00 0.00 177.00 175.41 1mfn h PRO 52 N -1.63 0.00 -0.99 0.56 0.13 -1.87 -3.16 132.00 125.03 1mfn h PRO 52 Ca -0.46 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.17 1mfn h PRO 52 Cb 1.29 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.13 1mfn h PRO 52 CO 0.50 0.00 0.62 0.45 -0.23 0.00 0.00 178.00 179.34 1mfn n SER 53 N -2.34 3.78 -3.82 1.44 2.88 -1.26 -4.88 113.62 109.42 1mfn n SER 53 Ca 0.05 -3.54 -0.15 0.00 -1.33 0.00 0.00 58.87 53.89 1mfn n SER 53 Cb 0.39 -0.83 -0.15 0.00 -0.75 0.00 0.00 64.21 62.87 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 -3.19 0.09 0.00 -1.46 1.81 -1.19 -5.01 118.95 110.00 1mfn s ARG 54 Ca 0.55 0.09 0.09 0.00 -1.72 0.00 0.00 55.73 54.74 1mfn s ARG 54 Cb 0.46 -0.26 0.02 0.00 -0.45 0.00 0.00 34.95 34.72 1mfn s ARG 54 CO 0.11 -0.10 0.65 0.27 -0.68 0.00 0.00 175.30 175.54 1mfn n ASN 55 N 3.84 1.33 -4.12 0.23 6.94 -1.26 -4.83 115.26 117.38 1mfn n ASN 55 Ca -0.23 -1.16 -0.17 0.00 -0.02 0.00 0.00 54.58 52.99 1mfn n ASN 55 Cb 0.53 0.30 -0.12 0.00 -2.36 0.00 0.00 39.78 38.13 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 -1.04 1.40 -0.03 0.53 1.04 -1.26 -0.61 113.70 113.73 1mfn s SER 56 Ca 0.08 -0.53 -0.00 0.00 0.48 0.00 0.00 55.95 55.98 1mfn s SER 56 Cb 0.07 -0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.18 1mfn s SER 56 CO 0.17 -0.07 0.03 -0.51 0.98 0.00 0.00 173.24 173.84 1mfn s ILE 57 N -1.13 -0.00 -0.34 -1.02 2.07 -0.90 -4.91 121.20 114.96 1mfn s ILE 57 Ca -0.03 0.24 -0.24 0.00 -1.41 0.00 0.00 60.65 59.21 1mfn s ILE 57 Cb -0.09 -0.15 0.01 0.00 0.13 0.00 0.00 42.46 42.35 1mfn s ILE 57 CO 0.01 0.13 0.80 -0.89 -1.91 0.00 0.00 174.94 173.08 1mfn s THR 58 N 1.36 4.74 0.47 4.00 2.01 -1.26 -1.73 115.64 125.23 1mfn s THR 58 Ca -0.05 1.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.94 1mfn s THR 58 Cb -0.13 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 1mfn s THR 58 CO -0.03 -0.37 0.76 -0.76 -0.69 0.00 0.00 174.62 173.53 1mfn s LEU 59 N 3.08 3.65 0.27 4.42 1.43 0.45 -4.84 118.68 127.14 1mfn s LEU 59 Ca 0.32 0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 54.20 1mfn s LEU 59 Cb -0.13 -3.76 -0.01 0.00 0.03 0.00 0.00 46.19 42.31 1mfn s LEU 59 CO 0.15 -0.58 0.39 0.42 0.23 0.00 0.00 176.35 176.96 1mfn s THR 60 N -2.70 0.00 -1.03 5.49 -4.23 -1.26 -1.31 115.64 110.60 1mfn s THR 60 Ca 0.47 -1.64 -0.02 0.00 -1.18 0.00 0.00 61.69 59.32 1mfn s THR 60 Cb -0.10 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.28 1mfn s THR 60 CO 0.44 0.00 0.87 0.59 -0.54 0.00 0.00 174.62 175.98 1mfn n ASN 61 N -0.76 -3.36 -3.99 3.99 3.02 0.72 -4.84 115.26 110.04 1mfn n ASN 61 Ca 0.01 -0.58 -0.20 0.00 -0.03 0.00 0.00 54.58 53.77 1mfn n ASN 61 Cb 0.63 -4.68 -0.15 0.00 -0.61 0.00 0.00 39.78 34.97 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 -5.66 1.77 0.11 3.41 1.43 -1.18 -4.95 118.68 113.60 1mfn s LEU 62 Ca 0.13 -0.18 -0.36 0.00 -1.03 0.00 0.00 54.13 52.70 1mfn s LEU 62 Cb -0.02 -0.52 -0.17 0.00 0.03 0.00 0.00 46.19 45.51 1mfn s LEU 62 CO 0.66 0.06 1.24 -3.20 0.23 0.00 0.00 176.35 175.33 1mfn n ASN 63 N 3.33 1.32 -4.73 2.29 5.15 -1.26 -3.92 115.26 117.44 1mfn n ASN 63 Ca -0.18 1.13 -0.41 0.00 -0.60 0.00 0.00 54.58 54.51 1mfn n ASN 63 Cb 0.54 -1.16 -0.04 0.00 -0.53 0.00 0.00 39.78 38.59 1mfn n ASN 63 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1mfn s PRO 64 N 0.15 4.65 -0.05 1.20 0.04 -1.09 -4.20 135.00 135.69 1mfn s PRO 64 Ca 0.81 1.53 -0.00 0.00 0.04 0.00 0.00 61.00 63.38 1mfn s PRO 64 Cb -0.96 -3.36 -0.00 0.00 0.04 0.00 0.00 34.50 30.22 1mfn s PRO 64 CO 0.50 0.13 0.05 0.41 0.04 0.00 0.00 177.00 178.12 1mfn n GLY 65 N 2.32 0.58 3.59 0.56 0.00 0.73 -4.69 105.19 108.27 1mfn n GLY 65 Ca 0.03 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.02 0.00 0.09 2.61 2.01 -0.98 -4.90 115.64 111.46 1mfn s THR 66 Ca 0.02 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 1mfn s THR 66 Cb -0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1mfn s THR 66 CO 0.04 0.00 0.99 -1.83 -0.69 0.00 0.00 174.62 173.13 1mfn s GLU 67 N -0.27 4.64 0.38 4.92 1.03 -1.26 0.13 118.70 128.26 1mfn s GLU 67 Ca -0.03 1.49 0.05 0.00 0.03 0.00 0.00 54.97 56.51 1mfn s GLU 67 Cb -0.03 -3.38 -0.06 0.00 -0.80 0.00 0.00 34.13 29.85 1mfn s GLU 67 CO 0.03 0.11 0.04 0.71 -1.33 0.00 0.00 175.26 174.82 1mfn s TYR 68 N 0.28 2.12 -0.03 4.83 1.51 -0.00 -3.51 117.35 122.55 1mfn s TYR 68 Ca 0.49 -0.89 0.05 0.00 -1.01 0.00 0.00 57.07 55.71 1mfn s TYR 68 Cb -0.24 -1.47 -0.01 0.00 -0.11 0.00 0.00 41.96 40.14 1mfn s TYR 68 CO 0.30 0.14 -0.20 0.08 -1.11 0.00 0.00 175.55 174.77 1mfn s VAL 69 N -3.06 1.60 -0.08 0.71 1.01 -0.44 -0.04 120.40 120.11 1mfn s VAL 69 Ca 0.32 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1mfn s VAL 69 Cb 0.08 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1mfn s VAL 69 CO 0.15 0.45 -0.15 -0.69 0.00 0.00 0.00 175.10 174.87 1mfn s VAL 70 N -0.24 1.34 -0.52 2.92 1.01 -0.96 -0.07 120.40 123.88 1mfn s VAL 70 Ca 0.02 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 1mfn s VAL 70 Cb -0.10 -1.21 0.11 0.00 0.00 0.00 0.00 36.38 35.19 1mfn s VAL 70 CO 0.01 0.40 0.46 -0.94 0.00 0.00 0.00 175.10 175.03 1mfn s SER 71 N 0.65 6.15 -1.17 3.32 1.04 0.49 -0.75 113.70 123.43 1mfn s SER 71 Ca -0.14 -1.67 -0.20 0.00 0.48 0.00 0.00 55.95 54.42 1mfn s SER 71 Cb -0.16 -2.19 0.07 0.00 0.10 0.00 0.00 66.02 63.84 1mfn s SER 71 CO 0.04 -0.79 1.59 -0.63 0.98 0.00 0.00 173.24 174.43 1mfn s ILE 72 N 1.60 4.12 0.57 -1.02 -1.09 0.41 -1.40 121.20 124.39 1mfn s ILE 72 Ca 0.03 -1.51 -0.10 0.00 -2.23 0.00 0.00 60.65 56.85 1mfn s ILE 72 Cb -0.28 -5.11 -0.04 0.00 -1.58 0.00 0.00 42.46 35.44 1mfn s ILE 72 CO 0.04 -1.95 0.96 -0.63 -1.23 0.00 0.00 174.94 172.13 1mfn s ILE 73 N 4.31 4.74 0.40 2.92 1.01 0.26 -2.87 121.20 131.96 1mfn s ILE 73 Ca 0.49 0.75 0.07 0.00 0.00 0.00 0.00 60.65 61.96 1mfn s ILE 73 Cb 0.02 -3.85 -0.08 0.00 0.01 0.00 0.00 42.46 38.56 1mfn s ILE 73 CO 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 174.94 173.94 1mfn s ALA 74 N -2.99 3.06 -0.19 9.38 0.00 -1.26 -0.08 121.76 129.67 1mfn s ALA 74 Ca 0.54 -2.27 -0.19 0.00 0.00 0.00 0.00 51.96 50.03 1mfn s ALA 74 Cb -0.11 0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.29 1mfn s ALA 74 CO 0.49 -0.14 0.54 0.14 0.00 0.00 0.00 175.76 176.78 1mfn s VAL 75 N -2.78 0.00 -0.33 0.00 -7.23 -0.73 -3.58 120.40 105.74 1mfn s VAL 75 Ca 0.35 -0.01 0.16 0.00 -1.81 0.00 0.00 61.98 60.67 1mfn s VAL 75 Cb 0.10 -0.75 0.46 0.00 0.56 0.00 0.00 36.38 36.74 1mfn s VAL 75 CO 0.18 -0.01 0.98 -3.20 -0.31 0.00 0.00 175.10 172.74 1mfn n ASN 76 N 2.70 1.90 0.00 4.85 2.85 -1.22 -0.78 115.26 125.56 1mfn n ASN 76 Ca -0.14 -2.82 0.00 0.00 -0.11 0.00 0.00 54.58 51.52 1mfn n ASN 76 Cb 0.56 -0.52 0.00 0.00 1.24 0.00 0.00 39.78 41.07 1mfn n ASN 76 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mfn n GLY 77 N -0.15 0.82 0.39 8.20 0.00 -1.26 -4.14 105.19 109.06 1mfn n GLY 77 Ca 0.13 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.45 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 0.72 -2.92 1.61 0.00 -1.26 -5.01 116.66 109.80 1mfn n ARG 78 Ca 0.00 -1.20 -0.18 0.00 -0.00 0.00 0.00 57.85 56.47 1mfn n ARG 78 Cb 0.00 -1.18 0.02 0.00 -0.00 0.00 0.00 32.46 31.29 1mfn n ARG 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1mfn s GLU 79 N -0.80 2.75 -0.24 2.89 2.12 -1.26 -5.11 118.70 119.05 1mfn s GLU 79 Ca 0.12 -1.13 -0.03 0.00 0.36 0.00 0.00 54.97 54.30 1mfn s GLU 79 Cb 0.08 -2.69 0.12 0.00 0.26 0.00 0.00 34.13 31.90 1mfn s GLU 79 CO 0.12 -0.39 0.32 -1.21 -0.54 0.00 0.00 175.26 173.56 1mfn s GLU 80 N -4.46 0.30 1.25 4.30 8.01 -1.26 -3.43 118.70 123.40 1mfn s GLU 80 Ca 0.56 0.33 -0.21 0.00 0.01 0.00 0.00 54.97 55.66 1mfn s GLU 80 Cb -0.10 -0.73 0.32 0.00 -4.31 0.00 0.00 34.13 29.31 1mfn s GLU 80 CO 0.34 -0.71 0.73 -1.13 0.01 0.00 0.00 175.26 174.50 1mfn n SER 81 N 5.34 -3.87 -4.82 -0.19 3.41 -1.23 -4.96 113.62 107.30 1mfn n SER 81 Ca -0.04 -0.74 -0.32 0.00 -0.26 0.00 0.00 58.87 57.51 1mfn n SER 81 Cb 0.49 -0.84 -0.01 0.00 -0.26 0.00 0.00 64.21 63.59 1mfn n SER 81 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1mfn s PRO 82 N -4.75 3.63 -0.61 4.33 0.04 -1.26 -4.59 135.00 131.79 1mfn s PRO 82 Ca 0.56 1.10 -0.28 0.00 0.04 0.00 0.00 61.00 62.43 1mfn s PRO 82 Cb -0.10 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1mfn s PRO 82 CO 0.47 -0.55 1.38 -1.25 0.04 0.00 0.00 177.00 177.10 1mfn s PRO 83 N -4.03 3.26 -0.90 0.56 0.04 -1.26 -4.40 135.00 128.27 1mfn s PRO 83 Ca 0.62 0.29 -0.24 0.00 0.04 0.00 0.00 61.00 61.70 1mfn s PRO 83 Cb -0.13 -4.14 0.05 0.00 0.04 0.00 0.00 34.50 30.32 1mfn s PRO 83 CO 0.33 -2.00 1.34 -1.17 0.04 0.00 0.00 177.00 175.54 1mfn s LEU 84 N 6.04 3.61 -0.23 -3.56 2.96 -1.14 -4.84 118.68 121.52 1mfn s LEU 84 Ca 0.48 -1.18 -0.10 0.00 -0.22 0.00 0.00 54.13 53.11 1mfn s LEU 84 Cb -0.10 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.00 1mfn s LEU 84 CO 0.23 -1.56 0.15 -0.63 -1.32 0.00 0.00 176.35 173.21 1mfn s ILE 85 N 4.92 5.36 0.00 6.68 1.01 -1.26 0.16 121.20 138.07 1mfn s ILE 85 Ca 0.40 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.23 1mfn s ILE 85 Cb -0.04 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.95 1mfn s ILE 85 CO -0.01 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1mfn n GLY 86 N 4.03 6.03 2.90 6.18 0.00 0.08 -4.92 105.19 119.48 1mfn n GLY 86 Ca -0.15 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.64 1mfn n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mfn s GLN 87 N -0.41 0.07 0.00 1.61 -0.21 -1.26 -2.28 119.66 117.18 1mfn s GLN 87 Ca 0.00 0.52 0.00 0.00 0.02 0.00 0.00 55.36 55.90 1mfn s GLN 87 Cb 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 33.01 33.80 1mfn s GLN 87 CO 0.00 -0.25 0.00 1.04 -2.12 0.00 0.00 175.29 173.96 1mfn n GLN 88 N 4.90 3.70 -3.61 2.91 1.13 0.94 -4.93 117.38 122.43 1mfn n GLN 88 Ca -0.13 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.81 1mfn n GLN 88 Cb 0.51 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.79 1mfn n GLN 88 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1mfn s ALA 89 N -2.00 -1.90 0.07 -1.58 0.00 -1.26 -0.82 121.76 114.27 1mfn s ALA 89 Ca 0.00 1.78 -0.21 0.00 0.00 0.00 0.00 51.96 53.53 1mfn s ALA 89 Cb 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 1mfn s ALA 89 CO 0.00 -0.29 0.63 0.95 0.00 0.00 0.00 175.76 177.05 1mfn s THR 90 N -0.20 4.72 1.19 0.00 -4.23 0.34 -4.78 115.64 112.68 1mfn s THR 90 Ca -0.00 1.35 -0.17 0.00 -1.18 0.00 0.00 61.69 61.68 1mfn s THR 90 Cb -0.03 -3.97 0.22 0.00 1.34 0.00 0.00 72.50 70.05 1mfn s THR 90 CO -0.01 0.49 0.47 0.52 -0.54 0.00 0.00 174.62 175.56 1mfn n VAL 91 N 2.07 0.00 -2.73 2.29 0.31 0.45 -2.09 118.33 118.63 1mfn n VAL 91 Ca -0.08 -0.26 -0.28 0.00 -0.01 0.00 0.00 64.34 63.71 1mfn n VAL 91 Cb 0.50 -0.76 -0.01 0.00 -0.91 0.00 0.00 33.84 32.67 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 -2.22 6.34 -0.11 4.52 0.15 -1.26 0.26 113.70 121.38 1mfn s SER 92 Ca 0.58 0.97 -0.16 0.00 0.70 0.00 0.00 55.95 58.04 1mfn s SER 92 Cb -0.14 -2.26 -0.27 0.00 -1.71 0.00 0.00 66.02 61.64 1mfn s SER 92 CO 0.59 -0.51 0.55 0.44 1.20 0.00 0.00 173.24 175.50 1mfn h ASP 93 N 0.56 0.36 -3.30 5.45 5.19 -1.94 -2.75 116.42 119.99 1mfn h ASP 93 Ca -0.47 -0.85 -0.56 0.00 -0.62 0.00 0.00 57.03 54.53 1mfn h ASP 93 Cb 1.20 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.55 1mfn h ASP 93 CO 0.62 1.60 -0.09 -0.63 -3.12 0.00 0.00 179.24 177.63 1mfn s ILE 94 N -2.47 4.85 -1.29 0.35 1.01 -1.26 -4.69 121.20 117.71 1mfn s ILE 94 Ca -0.20 0.87 -0.18 0.00 0.00 0.00 0.00 60.65 61.13 1mfn s ILE 94 Cb 0.04 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.82 1mfn s ILE 94 CO 0.76 0.29 1.74 -2.16 0.00 0.00 0.00 174.94 175.57 1mfn s PRO 95 N -1.83 3.91 0.75 2.79 0.04 -1.26 -4.72 135.00 134.68 1mfn s PRO 95 Ca 0.36 -1.93 -0.11 0.00 0.04 0.00 0.00 61.00 59.35 1mfn s PRO 95 Cb -0.16 -5.52 0.04 0.00 0.04 0.00 0.00 34.50 28.90 1mfn s PRO 95 CO 0.19 -2.33 1.10 0.50 0.04 0.00 0.00 177.00 176.49 1mfn s ARG 96 N 4.35 2.49 -0.19 4.56 3.52 -1.26 -4.17 118.95 128.25 1mfn s ARG 96 Ca 0.54 0.55 -0.00 0.00 -0.13 0.00 0.00 55.73 56.69 1mfn s ARG 96 Cb 0.04 -1.97 0.00 0.00 -1.56 0.00 0.00 34.95 31.46 1mfn s ARG 96 CO 0.08 -1.32 0.05 -3.47 -0.81 0.00 0.00 175.30 169.83 1mfn n ASP 97 N -3.21 -1.92 -4.56 -2.12 -0.08 -1.26 0.21 116.55 103.59 1mfn n ASP 97 Ca 0.07 -0.02 -0.41 0.00 -1.51 0.00 0.00 54.79 52.92 1mfn n ASP 97 Cb 0.57 -1.03 -0.03 0.00 2.34 0.00 0.00 41.12 42.97 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 -1.09 3.30 0.20 -2.67 2.96 -1.26 -3.66 118.68 116.46 1mfn s LEU 98 Ca 0.03 -0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1mfn s LEU 98 Cb -0.01 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 1mfn s LEU 98 CO 0.03 -1.83 0.14 -1.83 -1.32 0.00 0.00 176.35 171.53 1mfn s GLU 99 N 5.76 1.20 -0.03 1.98 -1.05 -0.93 -4.90 118.70 120.74 1mfn s GLU 99 Ca 0.47 -1.62 -0.14 0.00 -0.15 0.00 0.00 54.97 53.53 1mfn s GLU 99 Cb -0.10 0.27 -0.05 0.00 -0.44 0.00 0.00 34.13 33.81 1mfn s GLU 99 CO 0.21 -0.39 0.37 0.54 0.95 0.00 0.00 175.26 176.94 1mfn s VAL 100 N -4.15 5.11 0.00 1.83 0.11 -1.26 -1.23 120.40 120.80 1mfn s VAL 100 Ca 0.38 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 60.19 1mfn s VAL 100 Cb 0.07 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 1mfn s VAL 100 CO 0.12 0.56 0.08 2.30 -3.33 0.00 0.00 175.10 174.83 1mfn n ILE 101 N 2.04 0.00 -3.18 7.04 -6.64 -0.88 -4.95 119.36 112.79 1mfn n ILE 101 Ca -0.14 -0.40 0.01 0.00 -1.77 0.00 0.00 62.75 60.45 1mfn n ILE 101 Cb 0.53 1.04 -0.01 0.00 -1.44 0.00 0.00 39.64 39.75 1mfn n ILE 101 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1mfn s ALA 102 N -0.64 -2.18 -0.38 -1.28 0.00 -1.26 -4.99 121.76 111.03 1mfn s ALA 102 Ca 0.00 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.67 1mfn s ALA 102 Cb 0.00 -2.47 0.03 0.00 0.00 0.00 0.00 23.12 20.67 1mfn s ALA 102 CO 0.00 -1.85 0.23 -1.54 0.00 0.00 0.00 175.76 172.60 1mfn s SER 103 N 2.69 5.81 0.52 0.00 1.04 -1.26 0.31 113.70 122.82 1mfn s SER 103 Ca 0.10 -1.00 -0.01 0.00 0.48 0.00 0.00 55.95 55.52 1mfn s SER 103 Cb -0.10 -2.05 0.01 0.00 0.10 0.00 0.00 66.02 63.98 1mfn s SER 103 CO -0.25 -0.41 0.77 0.42 0.98 0.00 0.00 173.24 174.75 1mfn s THR 104 N 1.57 3.45 -1.80 2.02 -4.23 0.40 -4.94 115.64 112.12 1mfn s THR 104 Ca 0.03 -0.42 0.15 0.00 -1.18 0.00 0.00 61.69 60.26 1mfn s THR 104 Cb -0.19 -3.31 0.37 0.00 1.34 0.00 0.00 72.50 70.70 1mfn s THR 104 CO 0.07 -0.25 1.35 -0.81 -0.54 0.00 0.00 174.62 174.44 1mfn n PRO 105 N -2.31 0.38 -0.02 3.99 -0.04 -1.26 -2.72 135.00 133.02 1mfn n PRO 105 Ca 0.04 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 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 -1.10 0.00 -3.54 0.52 -2.24 -1.26 -4.34 114.28 102.31 1mfn n THR 106 Ca 0.10 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.77 1mfn n THR 106 Cb 0.08 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.03 -0.40 0.14 3.42 1.04 -1.10 -2.06 113.70 114.71 1mfn s SER 107 Ca 0.00 0.29 0.11 0.00 0.48 0.00 0.00 55.95 56.82 1mfn s SER 107 Cb 0.00 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1mfn s SER 107 CO 0.00 -0.47 -0.25 -0.76 0.98 0.00 0.00 173.24 172.74 1mfn s LEU 108 N -1.62 2.35 -0.24 2.42 1.43 -0.88 0.15 118.68 122.29 1mfn s LEU 108 Ca -0.00 -0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 52.25 1mfn s LEU 108 Cb -0.01 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 1mfn s LEU 108 CO -0.01 0.14 0.07 -0.22 0.23 0.00 0.00 176.35 176.55 1mfn s LEU 109 N -2.23 3.46 -0.15 1.79 0.20 0.15 -1.64 118.68 120.26 1mfn s LEU 109 Ca 0.15 -0.19 -0.05 0.00 0.69 0.00 0.00 54.13 54.73 1mfn s LEU 109 Cb -0.09 -1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 43.71 1mfn s LEU 109 CO 0.07 -0.02 0.03 0.27 -0.29 0.00 0.00 176.35 176.41 1mfn s ILE 110 N 1.50 4.52 -0.10 6.68 -0.00 -0.79 -2.07 121.20 130.94 1mfn s ILE 110 Ca 0.06 -0.14 -0.00 0.00 -0.00 0.00 0.00 60.65 60.56 1mfn s ILE 110 Cb -0.15 -2.99 0.02 0.00 -0.00 0.00 0.00 42.46 39.35 1mfn s ILE 110 CO 0.04 0.52 -0.06 -0.55 -0.00 0.00 0.00 174.94 174.88 1mfn s SER 111 N -0.05 1.96 0.13 4.36 0.15 -0.37 -2.08 113.70 117.80 1mfn s SER 111 Ca 0.05 -0.25 -0.00 0.00 0.70 0.00 0.00 55.95 56.45 1mfn s SER 111 Cb -0.12 -0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 63.40 1mfn s SER 111 CO 0.02 -0.11 0.02 -1.66 1.20 0.00 0.00 173.24 172.70 1mfn s TRP 112 N 1.61 0.91 0.27 3.44 -2.14 -1.01 -2.19 118.94 119.83 1mfn s TRP 112 Ca 0.02 -1.13 -0.30 0.00 2.66 0.00 0.00 56.10 57.35 1mfn s TRP 112 Cb -0.13 -0.53 -0.13 0.00 -3.10 0.00 0.00 33.47 29.58 1mfn s TRP 112 CO -0.06 -0.39 1.41 0.39 -2.66 0.00 0.00 176.95 175.64 1mfn n GLU 113 N -0.10 2.14 -2.54 3.25 1.02 0.55 -4.72 120.64 120.23 1mfn n GLU 113 Ca -0.07 0.76 -0.43 0.00 -0.02 0.00 0.00 57.16 57.39 1mfn n GLU 113 Cb 0.63 -2.42 -0.02 0.00 -0.02 0.00 0.00 31.44 29.61 1mfn n GLU 113 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1mfn s PRO 114 N -0.69 3.76 0.00 3.49 0.04 -1.26 -4.17 135.00 136.17 1mfn s PRO 114 Ca 0.65 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1mfn s PRO 114 Cb -0.61 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.02 1mfn s PRO 114 CO 0.52 -1.33 0.00 -0.35 0.04 0.00 0.00 177.00 175.88 1mfn n PRO 115 N 7.71 0.22 -0.37 0.56 -0.04 -1.26 -4.55 135.00 137.27 1mfn n PRO 115 Ca 0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.58 1mfn n PRO 115 Cb 0.48 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.93 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 -3.00 0.99 -1.13 0.55 0.00 -1.04 -4.84 120.51 112.04 1mfn n ALA 116 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 1mfn n ALA 116 Cb 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 0.00 -0.62 0.00 0.24 -1.26 -0.62 118.33 116.07 1mfn n VAL 117 Ca -0.04 -0.09 -0.18 0.00 -2.04 0.00 0.00 64.34 62.00 1mfn n VAL 117 Cb 0.30 -1.93 -0.02 0.00 -1.47 0.00 0.00 33.84 30.71 1mfn n VAL 117 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1mfn n SER 118 N -3.07 4.08 -4.56 -1.34 7.64 -1.26 -4.83 113.62 110.29 1mfn n SER 118 Ca 0.01 -2.24 -0.43 0.00 1.01 0.00 0.00 58.87 57.22 1mfn n SER 118 Cb 0.05 -0.98 -0.05 0.00 -1.01 0.00 0.00 64.21 62.22 1mfn n SER 118 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mfn s VAL 119 N 3.44 4.64 0.07 0.44 1.01 -1.26 -3.97 120.40 124.77 1mfn s VAL 119 Ca 0.34 0.61 -0.15 0.00 0.00 0.00 0.00 61.98 62.77 1mfn s VAL 119 Cb 0.10 -4.31 -0.19 0.00 0.00 0.00 0.00 36.38 31.97 1mfn s VAL 119 CO -0.03 -0.66 1.23 0.08 0.00 0.00 0.00 175.10 175.72 1mfn h ARG 120 N 8.86 0.66 -2.21 2.72 0.11 -0.93 -3.43 114.38 120.16 1mfn h ARG 120 Ca -0.25 -0.61 0.09 0.00 0.10 0.00 0.00 59.98 59.32 1mfn h ARG 120 Cb 1.09 0.15 -0.16 0.00 1.11 0.00 0.00 29.97 32.15 1mfn h ARG 120 CO 0.96 1.21 0.48 1.52 0.10 0.00 0.00 179.97 184.24 1mfn s TYR 121 N -3.54 -0.37 -0.14 4.08 -0.85 -1.07 -4.14 117.35 111.32 1mfn s TYR 121 Ca -0.11 0.31 -0.06 0.00 -0.52 0.00 0.00 57.07 56.68 1mfn s TYR 121 Cb 0.07 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.89 1mfn s TYR 121 CO 0.88 -0.53 0.07 0.71 -1.52 0.00 0.00 175.55 175.16 1mfn s TYR 122 N -2.82 3.35 -1.12 -3.49 1.51 -0.42 0.00 117.35 114.37 1mfn s TYR 122 Ca 0.03 0.27 -0.14 0.00 -1.01 0.00 0.00 57.07 56.21 1mfn s TYR 122 Cb -0.01 -1.96 0.17 0.00 -0.11 0.00 0.00 41.96 40.05 1mfn s TYR 122 CO -0.07 0.43 1.31 0.50 -1.11 0.00 0.00 175.55 176.61 1mfn s ARG 123 N -0.42 3.97 0.24 -0.62 3.52 0.52 -0.32 118.95 125.85 1mfn s ARG 123 Ca 0.10 -2.45 -0.23 0.00 -0.13 0.00 0.00 55.73 53.02 1mfn s ARG 123 Cb -0.12 -4.96 -0.09 0.00 -1.56 0.00 0.00 34.95 28.23 1mfn s ARG 123 CO 0.02 -1.70 0.80 0.42 -0.81 0.00 0.00 175.30 174.03 1mfn s ILE 124 N 1.52 4.42 0.05 4.11 1.01 -0.33 -0.56 121.20 131.42 1mfn s ILE 124 Ca 0.38 1.53 0.02 0.00 0.00 0.00 0.00 60.65 62.58 1mfn s ILE 124 Cb -0.04 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1mfn s ILE 124 CO -0.03 0.25 -0.07 0.42 0.00 0.00 0.00 174.94 175.51 1mfn s THR 125 N -1.48 0.49 0.03 2.92 -4.23 0.68 0.22 115.64 114.27 1mfn s THR 125 Ca 0.44 -1.28 -0.23 0.00 -1.18 0.00 0.00 61.69 59.44 1mfn s THR 125 Cb -0.18 -0.84 -0.05 0.00 1.34 0.00 0.00 72.50 72.76 1mfn s THR 125 CO 0.23 -0.54 0.70 -0.31 -0.54 0.00 0.00 174.62 174.16 1mfn s TYR 126 N -2.01 3.72 -0.25 3.99 1.51 0.53 -2.59 117.35 122.24 1mfn s TYR 126 Ca -0.05 1.38 -0.07 0.00 -1.01 0.00 0.00 57.07 57.31 1mfn s TYR 126 Cb -0.06 -2.74 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 1mfn s TYR 126 CO -0.01 0.31 0.07 0.20 -1.11 0.00 0.00 175.55 175.01 1mfn s GLY 127 N -0.13 1.77 0.14 0.71 0.00 0.56 -2.71 107.32 107.65 1mfn s GLY 127 Ca 0.36 -1.16 0.03 0.00 0.00 0.00 0.00 44.72 43.94 1mfn s GLY 127 CO 0.21 0.55 0.24 -0.54 0.00 0.00 0.00 173.10 173.56 1mfn s GLU 128 N 1.61 3.34 0.20 2.90 2.02 -1.26 0.30 118.70 127.81 1mfn s GLU 128 Ca 0.06 -0.62 -0.01 0.00 0.02 0.00 0.00 54.97 54.42 1mfn s GLU 128 Cb -0.15 -2.92 0.44 0.00 0.10 0.00 0.00 34.13 31.60 1mfn s GLU 128 CO 0.04 0.53 1.07 0.25 0.02 0.00 0.00 175.26 177.16 1mfn n THR 129 N -0.36 -0.29 0.00 3.63 -2.24 0.17 -3.71 114.28 111.48 1mfn n THR 129 Ca -0.07 1.52 0.00 0.00 -2.27 0.00 0.00 64.05 63.23 1mfn n THR 129 Cb 0.54 -2.18 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 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 -1.38 0.40 3.43 3.38 0.00 -1.26 -4.95 105.19 104.81 1mfn n GLY 130 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 3.64 -0.59 0.58 -0.02 0.00 -1.24 -4.79 105.19 102.77 1mfn n GLY 131 Ca 0.00 0.98 0.02 0.00 0.00 0.00 0.00 46.02 47.02 1mfn n GLY 131 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mfn n ASN 132 N -0.97 1.51 0.00 1.61 2.85 -1.26 -4.68 115.26 114.32 1mfn n ASN 132 Ca -0.10 -2.11 0.00 0.00 -0.11 0.00 0.00 54.58 52.25 1mfn n ASN 132 Cb 0.63 -0.35 0.00 0.00 1.24 0.00 0.00 39.78 41.31 1mfn n ASN 132 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1mfn n SER 133 N 0.06 0.00 -4.57 1.20 2.88 -1.26 -5.06 113.62 106.88 1mfn n SER 133 Ca 0.06 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.20 1mfn n SER 133 Cb 0.31 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.75 1mfn n SER 133 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1mfn s PRO 134 N 0.00 3.61 0.00 -1.46 0.04 -1.26 -4.95 135.00 130.98 1mfn s PRO 134 Ca 0.00 -1.41 0.00 0.00 0.04 0.00 0.00 61.00 59.63 1mfn s PRO 134 Cb 0.00 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1mfn s PRO 134 CO 0.00 -2.42 0.00 1.33 0.04 0.00 0.00 177.00 175.95 1mfn n VAL 135 N 6.82 0.00 -3.46 -0.36 0.24 -1.26 -4.78 118.33 115.52 1mfn n VAL 135 Ca 0.41 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.27 1mfn n VAL 135 Cb 0.48 -0.60 -0.05 0.00 -1.47 0.00 0.00 33.84 32.21 1mfn n VAL 135 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1mfn s GLN 136 N 0.44 3.15 -0.30 7.34 -0.44 -1.10 -4.88 119.66 123.87 1mfn s GLN 136 Ca 0.00 -2.36 -0.21 0.00 -2.50 0.00 0.00 55.36 50.28 1mfn s GLN 136 Cb 0.00 -4.17 -0.01 0.00 -1.64 0.00 0.00 33.01 27.19 1mfn s GLN 136 CO 0.00 -1.25 0.68 -2.00 0.50 0.00 0.00 175.29 173.22 1mfn s GLU 137 N 0.31 3.93 -0.05 1.67 -6.30 -1.26 0.20 118.70 117.19 1mfn s GLU 137 Ca 0.15 0.41 0.05 0.00 -2.50 0.00 0.00 54.97 53.08 1mfn s GLU 137 Cb -0.16 -3.72 -0.02 0.00 0.00 0.00 0.00 34.13 30.23 1mfn s GLU 137 CO -0.06 -0.60 -0.22 -0.59 0.02 0.00 0.00 175.26 173.81 1mfn s PHE 138 N 2.72 2.50 0.98 5.30 -0.12 0.58 -4.92 117.98 125.01 1mfn s PHE 138 Ca 0.28 -0.54 -0.14 0.00 -0.05 0.00 0.00 56.93 56.47 1mfn s PHE 138 Cb -0.15 -1.61 0.18 0.00 -0.63 0.00 0.00 43.02 40.81 1mfn s PHE 138 CO 0.12 -0.10 1.15 0.95 -0.05 0.00 0.00 175.22 177.29 1mfn s THR 139 N -0.32 1.94 -0.04 -4.49 -4.23 -1.26 -1.18 115.64 106.05 1mfn s THR 139 Ca 0.02 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 1mfn s THR 139 Cb -0.13 -2.70 0.01 0.00 1.34 0.00 0.00 72.50 71.03 1mfn s THR 139 CO 0.02 0.00 0.10 -0.69 -0.54 0.00 0.00 174.62 173.52 1mfn s VAL 140 N -3.26 -0.00 0.34 2.29 1.01 0.56 -4.73 120.40 116.61 1mfn s VAL 140 Ca 0.66 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 62.40 1mfn s VAL 140 Cb -0.13 -0.16 -0.10 0.00 0.00 0.00 0.00 36.38 36.00 1mfn s VAL 140 CO 0.54 0.01 0.98 -2.16 0.00 0.00 0.00 175.10 174.47 1mfn s PRO 141 N 0.15 4.49 -0.21 2.72 0.04 -1.26 -1.30 135.00 139.63 1mfn s PRO 141 Ca -0.01 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 1mfn s PRO 141 Cb -0.02 -2.78 0.12 0.00 0.04 0.00 0.00 34.50 31.87 1mfn s PRO 141 CO -0.00 0.18 2.11 0.41 0.04 0.00 0.00 177.00 179.73 1mfn n GLY 142 N 0.58 3.58 0.61 0.56 0.00 -1.26 -3.98 105.19 105.28 1mfn n GLY 142 Ca 0.02 -0.80 0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 0.81 2.24 -3.58 1.61 7.64 -1.26 -4.99 113.62 116.09 1mfn n SER 143 Ca 0.22 -1.62 -0.12 0.00 1.01 0.00 0.00 58.87 58.36 1mfn n SER 143 Cb 0.56 0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.84 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 -1.58 1.09 0.00 1.43 1.02 -1.26 -5.03 119.74 115.42 1mfn s LYS 144 Ca 0.19 -0.55 0.19 0.00 0.02 0.00 0.00 55.97 55.82 1mfn s LYS 144 Cb 0.14 0.49 0.52 0.00 -0.52 0.00 0.00 37.83 38.46 1mfn s LYS 144 CO 0.27 -0.43 1.43 -1.13 -0.92 0.00 0.00 175.35 174.58 1mfn n SER 145 N -0.08 2.94 -4.09 2.83 3.41 -1.26 -4.89 113.62 112.48 1mfn n SER 145 Ca -0.17 -1.96 -0.16 0.00 -0.26 0.00 0.00 58.87 56.32 1mfn n SER 145 Cb 0.63 -0.32 -0.12 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.37 0.79 0.32 6.66 -4.23 -1.26 -2.40 115.64 114.15 1mfn s THR 146 Ca 0.37 -0.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.92 1mfn s THR 146 Cb 0.20 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 73.23 1mfn s THR 146 CO 0.27 -0.18 0.12 0.00 -0.54 0.00 0.00 174.62 174.29 1mfn s ALA 147 N -1.05 2.19 -0.02 3.99 0.00 -0.88 -4.98 121.76 121.00 1mfn s ALA 147 Ca -0.04 -1.74 0.05 0.00 0.00 0.00 0.00 51.96 50.24 1mfn s ALA 147 Cb -0.08 0.94 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 1mfn s ALA 147 CO 0.01 -0.42 -0.18 -0.08 0.00 0.00 0.00 175.76 175.09 1mfn s THR 148 N -3.50 1.46 -0.77 0.00 -1.32 -1.26 -1.89 115.64 108.36 1mfn s THR 148 Ca 0.34 -0.78 -0.01 0.00 -1.21 0.00 0.00 61.69 60.04 1mfn s THR 148 Cb 0.06 -1.22 0.19 0.00 -1.51 0.00 0.00 72.50 70.02 1mfn s THR 148 CO 0.16 0.41 0.61 -0.63 -2.21 0.00 0.00 174.62 172.96 1mfn s ILE 149 N -0.32 3.86 0.65 5.08 1.09 -0.65 -4.95 121.20 125.96 1mfn s ILE 149 Ca 0.05 -3.65 0.01 0.00 -1.10 0.00 0.00 60.65 55.95 1mfn s ILE 149 Cb -0.08 -3.45 0.09 0.00 -1.06 0.00 0.00 42.46 37.96 1mfn s ILE 149 CO -0.00 -1.00 0.91 0.20 -0.10 0.00 0.00 174.94 174.94 1mfn s ASN 150 N -0.13 4.71 -0.87 3.58 0.01 -1.26 -2.08 114.94 118.90 1mfn s ASN 150 Ca 0.23 -0.29 -0.00 0.00 -0.71 0.00 0.00 52.86 52.10 1mfn s ASN 150 Cb -0.11 -0.27 0.00 0.00 0.41 0.00 0.00 41.25 41.27 1mfn s ASN 150 CO -0.10 -1.58 0.03 0.59 -1.51 0.00 0.00 177.10 174.52 1mfn n ASN 151 N -2.63 -3.46 -4.93 -1.22 4.13 -1.04 -4.94 115.26 101.17 1mfn n ASN 151 Ca 0.13 -0.02 -0.25 0.00 1.68 0.00 0.00 54.58 56.11 1mfn n ASN 151 Cb 0.60 -2.69 0.02 0.00 -1.54 0.00 0.00 39.78 36.18 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 -2.54 3.99 -0.23 2.41 2.07 -0.87 -5.06 121.20 120.96 1mfn s ILE 152 Ca 0.01 -0.18 -0.06 0.00 -1.41 0.00 0.00 60.65 59.01 1mfn s ILE 152 Cb -0.01 -3.53 -0.03 0.00 0.13 0.00 0.00 42.46 39.03 1mfn s ILE 152 CO 0.02 -0.47 0.04 -0.54 -1.91 0.00 0.00 174.94 172.08 1mfn s LYS 153 N -4.77 3.62 0.39 3.50 1.02 -1.26 -4.79 119.74 117.45 1mfn s LYS 153 Ca 0.51 -0.50 -0.24 0.00 0.02 0.00 0.00 55.97 55.76 1mfn s LYS 153 Cb -0.10 -3.22 -0.10 0.00 -0.52 0.00 0.00 37.83 33.89 1mfn s LYS 153 CO 0.42 -0.12 0.99 -1.25 -0.92 0.00 0.00 175.35 174.46 1mfn s PRO 154 N 1.40 4.31 0.00 -1.68 0.04 -1.26 -4.51 135.00 133.30 1mfn s PRO 154 Ca 0.05 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1mfn s PRO 154 Cb -0.15 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1mfn s PRO 154 CO 0.02 0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1mfn n GLY 155 N 0.13 0.47 0.00 0.56 0.00 -1.23 -5.05 105.19 100.07 1mfn n GLY 155 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.77 0.00 -0.82 4.61 0.00 -1.26 -5.01 120.51 117.26 1mfn n ALA 156 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1mfn n ALA 156 Cb 0.32 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.88 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 -3.03 -2.29 0.00 2.03 -1.26 -2.26 116.55 109.73 1mfn n ASP 157 Ca 0.00 0.15 -0.10 0.00 0.52 0.00 0.00 54.79 55.36 1mfn n ASP 157 Cb 0.00 -0.98 -0.03 0.00 -0.72 0.00 0.00 41.12 39.39 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 -3.60 -0.98 -3.38 -0.67 4.02 0.58 -0.65 117.16 112.49 1mfn n TYR 158 Ca 0.03 -1.54 0.02 0.00 -0.01 0.00 0.00 57.90 56.39 1mfn n TYR 158 Cb 0.59 0.32 -0.03 0.00 -0.02 0.00 0.00 39.34 40.20 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 -2.71 -0.82 -0.20 -0.72 2.01 0.15 -2.45 115.64 110.90 1mfn s THR 159 Ca 0.20 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.10 1mfn s THR 159 Cb -0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1mfn s THR 159 CO 0.14 0.00 0.13 -0.63 -0.69 0.00 0.00 174.62 173.57 1mfn s ILE 160 N 2.80 5.39 0.21 1.82 -1.09 0.66 0.21 121.20 131.20 1mfn s ILE 160 Ca 0.04 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 1mfn s ILE 160 Cb -0.12 -3.47 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 1mfn s ILE 160 CO -0.18 0.43 0.08 -0.89 -1.23 0.00 0.00 174.94 173.15 1mfn s THR 161 N 0.45 0.37 -0.10 2.92 2.01 -1.07 0.57 115.64 120.79 1mfn s THR 161 Ca 0.08 -1.98 -0.27 0.00 0.31 0.00 0.00 61.69 59.82 1mfn s THR 161 Cb -0.11 -2.42 0.06 0.00 0.01 0.00 0.00 72.50 70.04 1mfn s THR 161 CO -0.01 -0.15 0.64 -1.48 -0.69 0.00 0.00 174.62 172.93 1mfn s LEU 162 N -3.21 -0.49 -0.29 4.42 2.34 -0.73 -0.23 118.68 120.50 1mfn s LEU 162 Ca 0.34 0.83 0.03 0.00 0.06 0.00 0.00 54.13 55.39 1mfn s LEU 162 Cb 0.07 2.35 0.08 0.00 -0.56 0.00 0.00 46.19 48.13 1mfn s LEU 162 CO 0.10 -0.49 -0.04 -0.31 -1.06 0.00 0.00 176.35 174.55 1mfn s TYR 163 N -0.79 3.29 -0.81 3.48 1.51 0.27 -2.60 117.35 121.71 1mfn s TYR 163 Ca -0.08 -2.49 -0.25 0.00 -1.01 0.00 0.00 57.07 53.23 1mfn s TYR 163 Cb -0.02 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 1mfn s TYR 163 CO 0.07 -0.89 1.87 0.00 -1.11 0.00 0.00 175.55 175.49 1mfn s ALA 164 N 1.08 1.92 0.03 3.71 0.00 -1.19 0.19 121.76 127.51 1mfn s ALA 164 Ca -0.00 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 1mfn s ALA 164 Cb -0.19 -4.46 -0.04 0.00 0.00 0.00 0.00 23.12 18.43 1mfn s ALA 164 CO -0.07 -4.40 1.03 0.08 0.00 0.00 0.00 175.76 172.40 1mfn s VAL 165 N 9.33 4.61 0.12 0.00 1.01 0.10 -2.96 120.40 132.62 1mfn s VAL 165 Ca 0.67 1.91 0.00 0.00 0.00 0.00 0.00 61.98 64.56 1mfn s VAL 165 Cb -0.08 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1mfn s VAL 165 CO 0.06 0.17 0.00 0.35 0.00 0.00 0.00 175.10 175.69 1mfn n THR 166 N 3.73 1.02 -0.42 3.92 -2.24 -1.09 -0.46 114.28 118.73 1mfn n THR 166 Ca 0.06 0.34 -0.23 0.00 -2.27 0.00 0.00 64.05 61.95 1mfn n THR 166 Cb 0.50 -1.43 0.21 0.00 -2.10 0.00 0.00 70.33 67.50 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 3.20 -2.96 3.23 3.38 0.00 -1.23 -4.19 105.19 106.62 1mfn n GLY 167 Ca 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 46.02 44.90 1mfn n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mfn s ARG 168 N -4.06 0.56 0.00 1.61 0.52 -1.26 -4.70 118.95 111.61 1mfn s ARG 168 Ca 0.49 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.76 1mfn s ARG 168 Cb -0.09 0.56 0.00 0.00 0.52 0.00 0.00 34.95 35.94 1mfn s ARG 168 CO 0.44 -0.54 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1mfn n GLY 169 N 5.43 -0.51 0.00 -3.53 0.00 -1.26 -4.89 105.19 100.43 1mfn n GLY 169 Ca -0.03 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.96 1.61 5.68 -1.26 -3.94 116.55 115.68 1mfn n ASP 170 Ca 0.00 -1.06 -0.15 0.00 -0.50 0.00 0.00 54.79 53.09 1mfn n ASP 170 Cb 0.00 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 39.99 1mfn n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1mfn n SER 171 N -0.93 -1.12 -4.57 -1.12 7.64 -1.26 -5.09 113.62 107.18 1mfn n SER 171 Ca 0.19 -3.18 -0.41 0.00 1.01 0.00 0.00 58.87 56.47 1mfn n SER 171 Cb 0.09 0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 63.92 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 -0.61 3.30 -0.04 1.43 0.04 -1.25 -4.74 135.00 133.12 1mfn s PRO 172 Ca 0.32 0.24 -0.22 0.00 0.04 0.00 0.00 61.00 61.38 1mfn s PRO 172 Cb 0.26 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 1mfn s PRO 172 CO -0.13 -1.96 0.65 0.00 0.04 0.00 0.00 177.00 175.60 1mfn s ALA 173 N 5.83 3.40 -0.76 8.56 0.00 -1.26 -4.89 121.76 132.65 1mfn s ALA 173 Ca 0.46 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.53 1mfn s ALA 173 Cb -0.09 -2.85 0.32 0.00 0.00 0.00 0.00 23.12 20.49 1mfn s ALA 173 CO 0.22 0.02 1.22 -1.13 0.00 0.00 0.00 175.76 176.09 1mfn n SER 174 N 3.30 5.38 -0.04 0.00 3.41 -1.26 -2.69 113.62 121.73 1mfn n SER 174 Ca -0.04 -3.63 0.00 0.00 -0.26 0.00 0.00 58.87 54.94 1mfn n SER 174 Cb 0.51 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1mfn n SER 174 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1mfn n SER 175 N 0.11 -0.43 -4.84 4.04 3.41 -1.16 -3.20 113.62 111.55 1mfn n SER 175 Ca 0.35 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.63 1mfn n SER 175 Cb 0.35 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 1mfn n SER 175 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1mfn s LYS 176 N 0.00 4.03 -0.16 4.33 0.00 -1.26 -4.83 119.74 121.85 1mfn s LYS 176 Ca 0.00 0.66 -0.29 0.00 0.00 0.00 0.00 55.97 56.34 1mfn s LYS 176 Cb 0.00 -2.58 -0.02 0.00 0.00 0.00 0.00 37.83 35.23 1mfn s LYS 176 CO 0.00 0.24 1.35 -1.25 0.00 0.00 0.00 175.35 175.70 1mfn s PRO 177 N -2.69 4.17 -0.21 1.78 0.04 -1.26 -4.67 135.00 132.17 1mfn s PRO 177 Ca 0.50 1.72 -0.06 0.00 0.04 0.00 0.00 61.00 63.20 1mfn s PRO 177 Cb -0.12 -3.83 -0.03 0.00 0.04 0.00 0.00 34.50 30.57 1mfn s PRO 177 CO 0.19 -0.80 0.01 0.08 0.04 0.00 0.00 177.00 176.52 1mfn s VAL 178 N 3.76 4.06 0.42 -0.36 1.01 -1.07 -4.95 120.40 123.27 1mfn s VAL 178 Ca 0.59 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1mfn s VAL 178 Cb -0.23 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1mfn s VAL 178 CO 0.19 0.42 0.10 -0.94 0.00 0.00 0.00 175.10 174.86 1mfn s SER 179 N 1.05 2.98 -0.00 3.32 1.04 -1.26 -1.77 113.70 119.05 1mfn s SER 179 Ca 0.02 -1.63 -0.25 0.00 0.48 0.00 0.00 55.95 54.57 1mfn s SER 179 Cb -0.14 0.42 0.06 0.00 0.10 0.00 0.00 66.02 66.45 1mfn s SER 179 CO 0.02 -0.87 0.57 0.27 0.98 0.00 0.00 173.24 174.21 1mfn s ILE 180 N -3.16 0.02 0.48 -1.02 -4.36 0.19 -4.95 121.20 108.41 1mfn s ILE 180 Ca 0.23 -0.15 -0.08 0.00 -0.26 0.00 0.00 60.65 60.39 1mfn s ILE 180 Cb 0.03 -0.93 -0.04 0.00 1.25 0.00 0.00 42.46 42.76 1mfn s ILE 180 CO 0.13 -0.08 0.82 0.20 0.24 0.00 0.00 174.94 176.25 1mfn s ASN 181 N -1.54 6.33 -0.26 4.36 0.01 -1.26 -0.24 114.94 122.33 1mfn s ASN 181 Ca -0.09 1.07 -0.13 0.00 -0.71 0.00 0.00 52.86 52.99 1mfn s ASN 181 Cb -0.01 -2.30 0.09 0.00 0.41 0.00 0.00 41.25 39.43 1mfn s ASN 181 CO 0.04 -0.58 0.62 -0.47 -1.51 0.00 0.00 177.10 175.21 1mfn s TYR 182 N -2.71 -1.03 -0.20 2.20 6.14 -1.03 -4.72 117.35 116.00 1mfn s TYR 182 Ca 0.50 2.01 -0.09 0.00 0.64 0.00 0.00 57.07 60.13 1mfn s TYR 182 Cb -0.10 0.59 -0.05 0.00 0.42 0.00 0.00 41.96 42.82 1mfn s TYR 182 CO 0.43 -0.52 0.10 0.21 0.64 0.00 0.00 175.55 176.41 1mfn s LYS 183 N 1.88 4.05 0.00 4.97 2.20 -1.26 0.21 119.74 131.79 1mfn s LYS 183 Ca -0.09 -0.29 0.21 0.00 -0.36 0.00 0.00 55.97 55.43 1mfn s LYS 183 Cb -0.07 -3.35 0.16 0.00 -1.51 0.00 0.00 37.83 33.06 1mfn s LYS 183 CO -0.18 0.22 1.15 0.25 -0.36 0.00 0.00 175.35 176.43