#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 -4.98 0.99 4.77 -1.26 -5.10 117.00 111.42 1mfn n LEU 2 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1mfn n LEU 2 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1mfn n LEU 2 CO 0.00 0.00 0.01 -1.81 -1.33 0.00 0.00 177.39 174.26 1mfn s ASP 3 N 0.11 6.16 -0.07 -1.43 1.11 -1.26 -5.01 116.67 116.28 1mfn s ASP 3 Ca 0.00 -0.03 -0.13 0.00 0.18 0.00 0.00 52.55 52.56 1mfn s ASP 3 Cb 0.00 -1.58 -0.05 0.00 1.07 0.00 0.00 42.92 42.36 1mfn s ASP 3 CO 0.00 -0.24 0.33 -0.94 1.18 0.00 0.00 175.17 175.51 1mfn s SER 4 N -4.07 6.63 -0.24 0.27 1.04 -1.26 -4.74 113.70 111.32 1mfn s SER 4 Ca 0.39 0.74 -0.29 0.00 0.48 0.00 0.00 55.95 57.27 1mfn s SER 4 Cb -0.09 -2.20 0.01 0.00 0.10 0.00 0.00 66.02 63.83 1mfn s SER 4 CO 0.30 0.26 1.08 -2.16 0.98 0.00 0.00 173.24 173.70 1mfn s PRO 5 N -0.53 4.20 0.00 4.02 0.04 -1.26 -4.75 135.00 136.72 1mfn s PRO 5 Ca 0.20 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1mfn s PRO 5 Cb -0.15 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1mfn s PRO 5 CO 0.09 -0.71 0.00 0.25 0.04 0.00 0.00 177.00 176.66 1mfn n THR 6 N 5.48 0.00 -1.80 1.26 -2.24 -1.26 -4.53 114.28 111.19 1mfn n THR 6 Ca 0.12 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.70 1mfn n THR 6 Cb 0.46 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 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 1.37 3.91 3.38 0.00 -1.26 -3.29 105.19 109.30 1mfn n GLY 7 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1mfn n GLY 7 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mfn s PHE 8 N -2.83 3.07 0.00 1.61 2.19 -1.26 -4.39 117.98 116.36 1mfn s PHE 8 Ca 0.00 0.72 0.00 0.00 0.33 0.00 0.00 56.93 57.98 1mfn s PHE 8 Cb 0.00 -3.22 0.00 0.00 -1.31 0.00 0.00 43.02 38.49 1mfn s PHE 8 CO 0.00 -1.42 0.00 -3.47 1.83 0.00 0.00 175.22 172.16 1mfn n ASP 9 N -3.04 0.00 -3.91 6.13 2.03 -0.31 -4.95 116.55 112.50 1mfn n ASP 9 Ca 0.07 -0.39 -0.10 0.00 0.52 0.00 0.00 54.79 54.88 1mfn n ASP 9 Cb 0.60 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.89 1mfn n ASP 9 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1mfn s SER 10 N 0.82 0.09 0.00 1.67 0.15 -1.26 -1.91 113.70 113.26 1mfn s SER 10 Ca 0.00 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1mfn s SER 10 Cb 0.00 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1mfn s SER 10 CO 0.00 -0.32 0.00 -1.54 1.20 0.00 0.00 173.24 172.58 1mfn n SER 11 N 1.63 0.00 -3.75 5.45 3.41 -0.56 -4.93 113.62 114.86 1mfn n SER 11 Ca -0.22 -0.35 -0.28 0.00 -0.26 0.00 0.00 58.87 57.75 1mfn n SER 11 Cb 0.56 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.07 -2.95 -4.91 4.04 9.92 -1.26 -1.79 116.55 119.52 1mfn n ASP 12 Ca 0.00 -0.64 -0.27 0.00 -0.53 0.00 0.00 54.79 53.35 1mfn n ASP 12 Cb 0.00 -2.47 0.04 0.00 -0.64 0.00 0.00 41.12 38.05 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 -2.99 3.56 0.00 0.53 1.01 -1.26 -0.94 121.20 121.11 1mfn s ILE 13 Ca 0.55 0.04 0.00 0.00 0.00 0.00 0.00 60.65 61.24 1mfn s ILE 13 Cb -0.30 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1mfn s ILE 13 CO 0.67 -0.46 0.00 0.35 0.00 0.00 0.00 174.94 175.50 1mfn n THR 14 N -2.65 0.00 -0.02 2.92 -2.24 0.57 -4.83 114.28 108.03 1mfn n THR 14 Ca 0.05 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.62 1mfn n THR 14 Cb 0.58 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.67 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 1.72 0.20 -0.35 6.98 0.00 -1.78 0.24 119.26 126.27 1mfn h ALA 15 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1mfn h ALA 15 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1mfn h ALA 15 CO 0.00 0.79 0.00 0.27 0.00 0.00 0.00 179.25 180.31 1mfn n ASN 16 N -4.03 3.09 -3.52 0.00 6.94 -1.26 -2.21 115.26 114.27 1mfn n ASN 16 Ca -0.26 -2.12 -0.17 0.00 -0.02 0.00 0.00 54.58 52.01 1mfn n ASN 16 Cb 0.84 -0.28 -0.06 0.00 -2.36 0.00 0.00 39.78 37.93 1mfn n ASN 16 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1mfn s SER 17 N -1.10 -0.63 -0.22 0.53 0.01 -1.26 -0.97 113.70 110.06 1mfn s SER 17 Ca 0.26 0.68 -0.27 0.00 1.31 0.00 0.00 55.95 57.94 1mfn s SER 17 Cb 0.15 0.52 0.11 0.00 0.21 0.00 0.00 66.02 67.00 1mfn s SER 17 CO 0.16 -0.59 0.92 0.72 0.41 0.00 0.00 173.24 174.86 1mfn s PHE 18 N -1.21 -0.54 0.32 2.43 -0.12 0.26 0.21 117.98 119.33 1mfn s PHE 18 Ca -0.10 1.20 0.08 0.00 -0.05 0.00 0.00 56.93 58.06 1mfn s PHE 18 Cb -0.00 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 1mfn s PHE 18 CO 0.09 -0.33 0.22 0.99 -0.05 0.00 0.00 175.22 176.14 1mfn s THR 19 N -0.20 3.56 0.29 -4.49 2.01 -0.12 0.13 115.64 116.83 1mfn s THR 19 Ca -0.00 -1.49 0.02 0.00 0.31 0.00 0.00 61.69 60.53 1mfn s THR 19 Cb -0.03 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 1mfn s THR 19 CO -0.01 -0.22 0.09 -0.69 -0.69 0.00 0.00 174.62 173.10 1mfn s VAL 20 N -2.31 0.76 0.05 3.82 1.01 -0.82 -1.50 120.40 121.42 1mfn s VAL 20 Ca 0.38 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.33 1mfn s VAL 20 Cb -0.05 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1mfn s VAL 20 CO 0.25 0.00 0.04 -1.00 0.00 0.00 0.00 175.10 174.38 1mfn s HIS 21 N -3.55 0.37 -0.29 5.22 3.76 -0.80 -2.00 115.29 118.00 1mfn s HIS 21 Ca 0.36 -0.84 -0.21 0.00 -0.15 0.00 0.00 55.06 54.23 1mfn s HIS 21 Cb 0.08 -0.27 0.15 0.00 1.11 0.00 0.00 32.58 33.65 1mfn s HIS 21 CO 0.15 -0.40 1.08 1.67 -0.85 0.00 0.00 174.74 176.39 1mfn s TRP 22 N -3.52 -0.42 0.85 1.40 -2.14 0.21 -1.16 118.94 114.16 1mfn s TRP 22 Ca 0.03 0.93 -0.12 0.00 2.66 0.00 0.00 56.10 59.60 1mfn s TRP 22 Cb 0.05 0.35 0.10 0.00 -3.10 0.00 0.00 33.47 30.86 1mfn s TRP 22 CO -0.09 -0.21 1.11 0.08 -2.66 0.00 0.00 176.95 175.18 1mfn s VAL 23 N 0.71 2.68 0.53 -0.66 1.01 -1.21 -4.57 120.40 118.89 1mfn s VAL 23 Ca -0.02 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.24 1mfn s VAL 23 Cb -0.04 -2.94 0.06 0.00 0.00 0.00 0.00 36.38 33.46 1mfn s VAL 23 CO -0.11 -0.29 0.73 0.00 0.00 0.00 0.00 175.10 175.43 1mfn s ALA 24 N -3.17 4.41 0.98 5.51 0.00 -1.26 -4.36 121.76 123.87 1mfn s ALA 24 Ca 0.62 -1.80 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 1mfn s ALA 24 Cb -0.15 -1.68 0.20 0.00 0.00 0.00 0.00 23.12 21.50 1mfn s ALA 24 CO 0.54 -0.71 1.29 -1.25 0.00 0.00 0.00 175.76 175.63 1mfn s PRO 25 N -4.62 0.50 0.00 0.00 0.04 -1.26 -4.86 135.00 124.79 1mfn s PRO 25 Ca 0.59 -0.32 0.10 0.00 0.04 0.00 0.00 61.00 61.40 1mfn s PRO 25 Cb -0.08 -1.82 0.32 0.00 0.04 0.00 0.00 34.50 32.96 1mfn s PRO 25 CO 0.37 -2.52 1.25 0.54 0.04 0.00 0.00 177.00 176.68 1mfn n ARG 26 N -3.86 1.57 -4.47 4.56 1.74 -1.26 -4.86 116.66 110.08 1mfn n ARG 26 Ca 0.14 -0.88 -0.22 0.00 -0.77 0.00 0.00 57.85 56.12 1mfn n ARG 26 Cb 0.60 -1.22 -0.11 0.00 -1.02 0.00 0.00 32.46 30.71 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 -1.69 2.47 0.09 7.54 0.00 -1.26 -5.03 121.76 123.87 1mfn s ALA 27 Ca 0.19 -2.04 -0.30 0.00 0.00 0.00 0.00 51.96 49.81 1mfn s ALA 27 Cb 0.10 0.42 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 1mfn s ALA 27 CO 0.13 -0.20 1.03 -1.25 0.00 0.00 0.00 175.76 175.48 1mfn s PRO 28 N -3.81 4.60 0.15 0.00 0.04 -1.26 -4.98 135.00 129.74 1mfn s PRO 28 Ca 0.34 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1mfn s PRO 28 Cb 0.07 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1mfn s PRO 28 CO 0.14 0.05 0.02 0.44 0.04 0.00 0.00 177.00 177.69 1mfn n ILE 29 N 3.14 0.00 0.00 0.56 -5.35 -1.26 -4.91 119.36 111.54 1mfn n ILE 29 Ca 0.04 -0.68 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 1mfn n ILE 29 Cb 0.49 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1mfn n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1mfn n THR 30 N -0.46 0.00 0.00 7.28 -2.24 -1.04 -4.92 114.28 112.91 1mfn n THR 30 Ca -0.05 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1mfn n THR 30 Cb 0.19 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 0.87 3.67 3.47 3.38 0.00 -1.21 -4.22 105.19 111.15 1mfn n GLY 31 Ca 0.00 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 2.72 -0.14 1.61 1.51 0.11 -2.98 117.35 118.17 1mfn s TYR 32 Ca 0.00 -0.20 -0.17 0.00 -1.01 0.00 0.00 57.07 55.69 1mfn s TYR 32 Cb 0.00 -1.65 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1mfn s TYR 32 CO 0.00 0.15 0.43 0.42 -1.11 0.00 0.00 175.55 175.45 1mfn s ILE 33 N -0.64 5.21 -0.30 2.71 1.09 0.29 0.18 121.20 129.74 1mfn s ILE 33 Ca 0.09 0.84 -0.01 0.00 -1.10 0.00 0.00 60.65 60.48 1mfn s ILE 33 Cb -0.11 -3.77 0.06 0.00 -1.06 0.00 0.00 42.46 37.57 1mfn s ILE 33 CO 0.01 0.32 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.52 1mfn s ILE 34 N 0.76 2.82 -0.09 2.92 -1.09 0.54 0.46 121.20 127.51 1mfn s ILE 34 Ca 0.23 -1.49 -0.01 0.00 -2.23 0.00 0.00 60.65 57.15 1mfn s ILE 34 Cb -0.15 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.05 1mfn s ILE 34 CO 0.09 -0.13 -0.06 -0.60 -1.23 0.00 0.00 174.94 173.01 1mfn s ARG 35 N 1.21 3.03 0.05 2.79 3.52 -0.15 0.21 118.95 129.60 1mfn s ARG 35 Ca -0.05 -0.53 0.05 0.00 -0.13 0.00 0.00 55.73 55.07 1mfn s ARG 35 Cb -0.20 -2.69 -0.02 0.00 -1.56 0.00 0.00 34.95 30.47 1mfn s ARG 35 CO -0.02 0.55 -0.15 -3.38 -0.81 0.00 0.00 175.30 171.49 1mfn s HIS 36 N -0.48 1.26 -0.29 5.12 -3.43 -0.94 0.18 115.29 116.71 1mfn s HIS 36 Ca 0.07 -0.38 -0.19 0.00 -0.80 0.00 0.00 55.06 53.77 1mfn s HIS 36 Cb -0.12 -0.74 0.13 0.00 -1.43 0.00 0.00 32.58 30.42 1mfn s HIS 36 CO 0.02 0.05 0.97 -3.38 -2.00 0.00 0.00 174.74 170.40 1mfn s HIS 37 N -0.95 -0.57 0.29 0.38 -0.00 0.91 -2.38 115.29 112.97 1mfn s HIS 37 Ca 0.01 1.22 -0.29 0.00 -0.00 0.00 0.00 55.06 56.00 1mfn s HIS 37 Cb -0.08 0.37 -0.10 0.00 -0.00 0.00 0.00 32.58 32.77 1mfn s HIS 37 CO 0.02 -0.28 1.37 0.00 -0.00 0.00 0.00 174.74 175.85 1mfn s ALA 38 N 0.99 3.56 -1.76 -1.38 0.00 -1.26 -0.12 121.76 121.78 1mfn s ALA 38 Ca -0.05 1.30 0.20 0.00 0.00 0.00 0.00 51.96 53.41 1mfn s ALA 38 Cb -0.04 -3.52 1.14 0.00 0.00 0.00 0.00 23.12 20.70 1mfn s ALA 38 CO -0.12 -0.70 1.62 -0.85 0.00 0.00 0.00 175.76 175.71 1mfn n GLU 39 N 1.54 0.50 -1.20 0.00 0.28 -1.24 -2.80 120.64 117.71 1mfn n GLU 39 Ca 0.03 0.04 -0.22 0.00 -0.16 0.00 0.00 57.16 56.85 1mfn n GLU 39 Cb 0.41 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 31.97 1mfn n GLU 39 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1mfn n HIS 40 N -1.12 3.01 -3.74 -1.84 8.25 -1.26 -4.92 115.22 113.60 1mfn n HIS 40 Ca 0.13 -1.78 -0.12 0.00 -0.26 0.00 0.00 57.72 55.69 1mfn n HIS 40 Cb 0.11 -0.92 -0.07 0.00 1.12 0.00 0.00 29.99 30.22 1mfn n HIS 40 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1mfn s SER 41 N -1.26 -0.17 0.00 0.41 1.04 -1.12 -5.04 113.70 107.56 1mfn s SER 41 Ca 0.56 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.93 1mfn s SER 41 Cb 0.47 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.97 1mfn s SER 41 CO 0.11 -0.59 0.56 0.55 0.98 0.00 0.00 173.24 174.86 1mfn n VAL 42 N 0.72 0.00 -0.09 5.02 3.14 -1.26 -4.93 118.33 120.93 1mfn n VAL 42 Ca -0.19 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.69 1mfn n VAL 42 Cb 0.59 1.06 0.00 0.00 -1.06 0.00 0.00 33.84 34.43 1mfn n VAL 42 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1mfn n GLY 43 N 0.24 -3.38 3.73 7.55 0.00 -1.26 -4.91 105.19 107.16 1mfn n GLY 43 Ca 0.02 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.42 4.67 0.35 1.61 0.52 -1.26 -5.03 118.95 117.40 1mfn s ARG 44 Ca 0.00 1.41 -0.25 0.00 -0.52 0.00 0.00 55.73 56.37 1mfn s ARG 44 Cb 0.00 -3.38 -0.10 0.00 0.52 0.00 0.00 34.95 32.00 1mfn s ARG 44 CO 0.00 0.22 0.97 -1.25 0.02 0.00 0.00 175.30 175.26 1mfn s PRO 45 N 0.01 4.45 0.53 3.54 0.04 -1.26 -5.04 135.00 137.27 1mfn s PRO 45 Ca 0.46 1.35 -0.18 0.00 0.04 0.00 0.00 61.00 62.66 1mfn s PRO 45 Cb -0.23 -2.67 -0.07 0.00 0.04 0.00 0.00 34.50 31.58 1mfn s PRO 45 CO 0.29 0.15 1.05 1.03 0.04 0.00 0.00 177.00 179.56 1mfn s ARG 46 N -2.29 3.61 -0.18 4.56 0.52 -1.00 -4.92 118.95 119.24 1mfn s ARG 46 Ca 0.53 1.30 0.01 0.00 -0.52 0.00 0.00 55.73 57.05 1mfn s ARG 46 Cb -0.18 -2.07 0.03 0.00 0.52 0.00 0.00 34.95 33.25 1mfn s ARG 46 CO 0.23 -0.59 -0.14 1.14 0.02 0.00 0.00 175.30 175.97 1mfn s GLN 47 N -3.57 2.33 -0.28 3.54 -2.07 -1.26 -2.22 119.66 116.14 1mfn s GLN 47 Ca 0.66 -0.79 0.03 0.00 -1.82 0.00 0.00 55.36 53.45 1mfn s GLN 47 Cb -0.16 -2.38 0.07 0.00 -1.09 0.00 0.00 33.01 29.44 1mfn s GLN 47 CO 0.27 -0.33 -0.07 -0.51 -1.32 0.00 0.00 175.29 173.32 1mfn s ASP 48 N 1.38 4.52 0.08 12.60 1.11 0.57 -4.96 116.67 131.98 1mfn s ASP 48 Ca 0.02 -1.58 -0.15 0.00 0.18 0.00 0.00 52.55 51.02 1mfn s ASP 48 Cb -0.15 -1.57 -0.06 0.00 1.07 0.00 0.00 42.92 42.21 1mfn s ASP 48 CO -0.10 -0.23 0.50 -0.13 1.18 0.00 0.00 175.17 176.39 1mfn s ARG 49 N 1.06 4.00 0.30 8.23 1.81 -1.26 0.20 118.95 133.29 1mfn s ARG 49 Ca -0.04 0.50 0.11 0.00 -1.72 0.00 0.00 55.73 54.57 1mfn s ARG 49 Cb -0.20 -3.10 -0.05 0.00 -0.45 0.00 0.00 34.95 31.15 1mfn s ARG 49 CO -0.06 0.59 -0.14 0.14 -0.68 0.00 0.00 175.30 175.15 1mfn s VAL 50 N -1.26 2.47 0.95 3.52 -7.23 0.47 -4.80 120.40 114.53 1mfn s VAL 50 Ca 0.31 -2.28 -0.15 0.00 -1.81 0.00 0.00 61.98 58.05 1mfn s VAL 50 Cb -0.17 -2.48 0.17 0.00 0.56 0.00 0.00 36.38 34.46 1mfn s VAL 50 CO 0.17 -0.32 1.21 -2.16 -0.31 0.00 0.00 175.10 173.69 1mfn s PRO 51 N -3.57 0.77 0.25 4.82 0.04 -1.26 0.08 135.00 136.13 1mfn s PRO 51 Ca 0.31 -0.04 0.26 0.00 0.04 0.00 0.00 61.00 61.57 1mfn s PRO 51 Cb -0.02 -1.83 0.83 0.00 0.04 0.00 0.00 34.50 33.52 1mfn s PRO 51 CO 0.16 -2.39 1.76 -1.00 0.04 0.00 0.00 177.00 175.57 1mfn h PRO 52 N -1.63 0.00 -0.97 0.56 0.13 -1.89 -3.16 132.00 125.04 1mfn h PRO 52 Ca -0.47 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.20 1mfn h PRO 52 Cb 1.29 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.15 1mfn h PRO 52 CO 0.50 0.00 0.59 -1.13 -0.23 0.00 0.00 178.00 177.73 1mfn n SER 53 N -2.35 3.86 -3.69 1.44 3.41 -1.26 -4.85 113.62 110.18 1mfn n SER 53 Ca 0.04 -3.51 -0.21 0.00 -0.26 0.00 0.00 58.87 54.94 1mfn n SER 53 Cb 0.39 -0.82 -0.18 0.00 -0.26 0.00 0.00 64.21 63.34 1mfn n SER 53 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1mfn s ARG 54 N -3.15 0.08 0.00 4.33 1.81 -1.19 -4.99 118.95 115.83 1mfn s ARG 54 Ca 0.55 0.31 0.23 0.00 -1.72 0.00 0.00 55.73 55.10 1mfn s ARG 54 Cb 0.46 -0.64 0.10 0.00 -0.45 0.00 0.00 34.95 34.42 1mfn s ARG 54 CO 0.11 -0.33 1.17 0.27 -0.68 0.00 0.00 175.30 175.84 1mfn n ASN 55 N 5.26 2.18 -4.17 0.23 6.94 -1.26 -4.81 115.26 119.63 1mfn n ASN 55 Ca -0.04 -1.59 -0.12 0.00 -0.02 0.00 0.00 54.58 52.82 1mfn n ASN 55 Cb 0.50 0.35 -0.10 0.00 -2.36 0.00 0.00 39.78 38.16 1mfn n ASN 55 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1mfn s SER 56 N -2.37 1.21 -0.06 0.53 1.04 -1.26 0.68 113.70 113.47 1mfn s SER 56 Ca 0.21 -0.94 -0.02 0.00 0.48 0.00 0.00 55.95 55.67 1mfn s SER 56 Cb 0.19 0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.42 1mfn s SER 56 CO 0.51 -0.41 0.12 -0.51 0.98 0.00 0.00 173.24 173.93 1mfn s ILE 57 N -3.26 -0.14 -0.30 -1.02 2.07 -0.85 -4.91 121.20 112.78 1mfn s ILE 57 Ca 0.10 0.30 -0.27 0.00 -1.41 0.00 0.00 60.65 59.37 1mfn s ILE 57 Cb 0.03 -0.22 0.01 0.00 0.13 0.00 0.00 42.46 42.41 1mfn s ILE 57 CO -0.03 0.12 0.96 -0.89 -1.91 0.00 0.00 174.94 173.19 1mfn s THR 58 N 1.76 4.64 0.01 4.00 2.01 -1.26 -1.94 115.64 124.86 1mfn s THR 58 Ca -0.02 1.56 -0.09 0.00 0.31 0.00 0.00 61.69 63.45 1mfn s THR 58 Cb -0.12 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 1mfn s THR 58 CO -0.05 -0.36 0.32 -0.76 -0.69 0.00 0.00 174.62 173.08 1mfn s LEU 59 N 3.34 4.39 0.00 4.42 1.43 0.36 -4.88 118.68 127.73 1mfn s LEU 59 Ca 0.40 0.70 0.04 0.00 -1.03 0.00 0.00 54.13 54.25 1mfn s LEU 59 Cb -0.13 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 1mfn s LEU 59 CO 0.13 0.26 0.16 0.35 0.23 0.00 0.00 176.35 177.48 1mfn n THR 60 N 1.28 0.00 -3.62 5.49 -2.24 -1.26 0.91 114.28 114.84 1mfn n THR 60 Ca -0.12 -1.85 -0.25 0.00 -2.27 0.00 0.00 64.05 59.56 1mfn n THR 60 Cb 0.53 0.78 0.04 0.00 -2.10 0.00 0.00 70.33 69.58 1mfn n THR 60 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1mfn n ASN 61 N -1.80 -4.03 -3.95 3.42 3.02 -0.14 -4.86 115.26 106.92 1mfn n ASN 61 Ca -0.00 -0.90 -0.19 0.00 -0.03 0.00 0.00 54.58 53.46 1mfn n ASN 61 Cb 0.47 -3.93 -0.15 0.00 -0.61 0.00 0.00 39.78 35.55 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 -6.35 1.67 0.12 3.41 1.43 -1.15 -5.04 118.68 112.78 1mfn s LEU 62 Ca 0.30 -0.14 -0.35 0.00 -1.03 0.00 0.00 54.13 52.91 1mfn s LEU 62 Cb -0.09 -0.43 -0.16 0.00 0.03 0.00 0.00 46.19 45.55 1mfn s LEU 62 CO 0.82 0.02 1.44 -3.20 0.23 0.00 0.00 176.35 175.66 1mfn n ASN 63 N 3.48 2.24 -4.73 2.29 5.15 -1.26 -4.11 115.26 118.33 1mfn n ASN 63 Ca -0.20 1.10 -0.41 0.00 -0.60 0.00 0.00 54.58 54.48 1mfn n ASN 63 Cb 0.54 -1.29 -0.04 0.00 -0.53 0.00 0.00 39.78 38.46 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 0.65 4.64 0.00 1.20 0.04 -0.94 -4.19 135.00 136.40 1mfn s PRO 64 Ca 0.82 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1mfn s PRO 64 Cb -0.84 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1mfn s PRO 64 CO 0.43 0.11 0.00 0.41 0.04 0.00 0.00 177.00 178.00 1mfn n GLY 65 N 2.35 0.82 3.51 0.56 0.00 0.78 -4.63 105.19 108.58 1mfn n GLY 65 Ca 0.03 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.86 0.00 -0.14 2.61 2.01 -1.02 -4.91 115.64 111.34 1mfn s THR 66 Ca 0.00 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 1mfn s THR 66 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1mfn s THR 66 CO 0.00 0.00 0.62 -1.83 -0.69 0.00 0.00 174.62 172.72 1mfn s GLU 67 N -2.12 4.32 -0.16 4.92 -1.05 -1.26 0.19 118.70 123.53 1mfn s GLU 67 Ca -0.03 0.67 0.01 0.00 -0.15 0.00 0.00 54.97 55.47 1mfn s GLU 67 Cb -0.01 -3.50 0.01 0.00 -0.44 0.00 0.00 34.13 30.19 1mfn s GLU 67 CO -0.01 -0.05 -0.18 0.71 0.95 0.00 0.00 175.26 176.68 1mfn s TYR 68 N 1.25 2.74 -0.19 4.83 2.02 -0.81 -3.70 117.35 123.49 1mfn s TYR 68 Ca 0.31 -1.27 -0.26 0.00 -0.37 0.00 0.00 57.07 55.48 1mfn s TYR 68 Cb -0.16 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 1mfn s TYR 68 CO 0.13 -0.60 0.87 0.08 -1.57 0.00 0.00 175.55 174.46 1mfn s VAL 69 N 0.93 4.83 -0.21 0.71 1.01 0.83 -2.26 120.40 126.25 1mfn s VAL 69 Ca -0.04 1.70 -0.04 0.00 0.00 0.00 0.00 61.98 63.60 1mfn s VAL 69 Cb -0.15 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 1mfn s VAL 69 CO -0.03 -0.03 -0.03 -0.69 0.00 0.00 0.00 175.10 174.31 1mfn s VAL 70 N 2.47 3.55 -0.30 2.92 1.01 -0.88 -0.06 120.40 129.11 1mfn s VAL 70 Ca 0.39 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 1mfn s VAL 70 Cb -0.16 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1mfn s VAL 70 CO 0.10 0.43 0.15 -0.94 0.00 0.00 0.00 175.10 174.85 1mfn s SER 71 N 1.21 5.60 -0.26 3.32 1.04 0.47 0.15 113.70 125.22 1mfn s SER 71 Ca 0.03 -0.37 -0.16 0.00 0.48 0.00 0.00 55.95 55.92 1mfn s SER 71 Cb -0.14 -2.02 -0.03 0.00 0.10 0.00 0.00 66.02 63.92 1mfn s SER 71 CO -0.01 -0.15 0.44 -0.63 0.98 0.00 0.00 173.24 173.88 1mfn s ILE 72 N 1.65 5.13 -0.12 -1.02 -1.09 -0.60 -0.98 121.20 124.17 1mfn s ILE 72 Ca 0.05 0.72 -0.01 0.00 -2.23 0.00 0.00 60.65 59.19 1mfn s ILE 72 Cb -0.17 -3.76 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 1mfn s ILE 72 CO 0.07 0.13 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.18 1mfn s ILE 73 N 2.16 3.39 0.22 2.92 1.09 0.17 0.25 121.20 131.40 1mfn s ILE 73 Ca 0.18 -0.56 -0.02 0.00 -1.10 0.00 0.00 60.65 59.16 1mfn s ILE 73 Cb -0.16 -2.43 -0.04 0.00 -1.06 0.00 0.00 42.46 38.77 1mfn s ILE 73 CO 0.09 0.54 0.42 0.00 -0.10 0.00 0.00 174.94 175.89 1mfn s ALA 74 N 0.04 3.79 -0.21 9.38 0.00 -1.26 0.10 121.76 133.60 1mfn s ALA 74 Ca -0.03 -0.77 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 1mfn s ALA 74 Cb -0.14 -2.06 0.07 0.00 0.00 0.00 0.00 23.12 20.99 1mfn s ALA 74 CO 0.04 0.40 0.52 0.14 0.00 0.00 0.00 175.76 176.86 1mfn s VAL 75 N -1.90 -0.01 -0.71 0.00 -7.23 -1.16 -3.32 120.40 106.06 1mfn s VAL 75 Ca 0.39 0.05 -0.01 0.00 -1.81 0.00 0.00 61.98 60.61 1mfn s VAL 75 Cb -0.11 -0.77 0.40 0.00 0.56 0.00 0.00 36.38 36.46 1mfn s VAL 75 CO 0.29 0.02 1.90 -3.20 -0.31 0.00 0.00 175.10 173.80 1mfn n ASN 76 N 4.25 7.19 0.00 4.85 5.15 -1.25 -2.49 115.26 132.96 1mfn n ASN 76 Ca -0.22 -3.81 0.00 0.00 -0.60 0.00 0.00 54.58 49.96 1mfn n ASN 76 Cb 0.57 -0.94 0.00 0.00 -0.53 0.00 0.00 39.78 38.88 1mfn n ASN 76 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mfn n GLY 77 N -0.69 1.49 0.36 8.20 0.00 -1.26 -3.94 105.19 109.35 1mfn n GLY 77 Ca 0.55 -0.48 0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 0.81 -0.53 1.61 -4.01 -1.26 -5.00 116.66 108.28 1mfn n ARG 78 Ca 0.00 -0.97 0.00 0.00 -1.04 0.00 0.00 57.85 55.84 1mfn n ARG 78 Cb 0.00 -1.16 0.00 0.00 -3.04 0.00 0.00 32.46 28.26 1mfn n ARG 78 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1mfn n GLU 79 N 0.36 1.55 -1.19 2.89 -0.58 -1.25 -5.14 120.64 117.28 1mfn n GLU 79 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1mfn n GLU 79 Cb 0.24 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.11 1mfn n GLU 79 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1mfn n GLU 80 N -0.63 0.00 -3.69 3.49 1.02 -1.26 -3.87 120.64 115.70 1mfn n GLU 80 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1mfn n GLU 80 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.44 1mfn n GLU 80 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1mfn n SER 81 N -1.67 -1.33 -4.73 1.62 7.64 -1.21 -4.57 113.62 109.36 1mfn n SER 81 Ca 0.00 -1.54 -0.41 0.00 1.01 0.00 0.00 58.87 57.93 1mfn n SER 81 Cb 0.00 2.13 -0.04 0.00 -1.01 0.00 0.00 64.21 65.29 1mfn n SER 81 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mfn s PRO 82 N -2.03 4.59 -0.47 1.43 0.04 -1.26 -4.58 135.00 132.71 1mfn s PRO 82 Ca 0.24 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 62.64 1mfn s PRO 82 Cb -0.02 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.22 1mfn s PRO 82 CO 0.02 0.04 1.32 -1.25 0.04 0.00 0.00 177.00 177.17 1mfn s PRO 83 N 0.04 3.56 -1.25 0.56 0.04 -1.26 -4.19 135.00 132.51 1mfn s PRO 83 Ca 0.51 0.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.03 1mfn s PRO 83 Cb -0.27 -4.01 0.03 0.00 0.04 0.00 0.00 34.50 30.29 1mfn s PRO 83 CO 0.32 -1.59 1.77 -1.17 0.04 0.00 0.00 177.00 176.37 1mfn s LEU 84 N 5.23 3.62 0.35 -3.56 2.96 0.70 -4.69 118.68 123.29 1mfn s LEU 84 Ca 0.54 -2.16 -0.13 0.00 -0.22 0.00 0.00 54.13 52.16 1mfn s LEU 84 Cb -0.11 -2.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.92 1mfn s LEU 84 CO 0.31 -1.67 0.74 -0.63 -1.32 0.00 0.00 176.35 173.77 1mfn s ILE 85 N 5.99 4.72 0.00 6.68 1.01 -1.26 -1.56 121.20 136.78 1mfn s ILE 85 Ca 0.57 0.83 0.00 0.00 0.00 0.00 0.00 60.65 62.05 1mfn s ILE 85 Cb 0.02 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1mfn s ILE 85 CO 0.08 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.34 1mfn n GLY 86 N -0.65 3.57 3.22 6.18 0.00 0.12 -4.88 105.19 112.76 1mfn n GLY 86 Ca 0.03 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.74 0.34 0.00 1.61 -0.21 -1.26 -2.08 119.66 116.32 1mfn s GLN 87 Ca 0.00 0.81 0.00 0.00 0.02 0.00 0.00 55.36 56.19 1mfn s GLN 87 Cb 0.00 0.05 0.00 0.00 1.00 0.00 0.00 33.01 34.06 1mfn s GLN 87 CO 0.00 -0.19 0.00 0.00 -2.12 0.00 0.00 175.29 172.98 1mfn n GLN 88 N 4.61 2.14 -3.64 2.91 0.00 -0.96 -4.98 117.38 117.46 1mfn n GLN 88 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 57.00 56.70 1mfn n GLN 88 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.70 1mfn n GLN 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1mfn s ALA 89 N -2.00 -1.79 0.21 2.61 0.00 -1.26 -1.93 121.76 117.60 1mfn s ALA 89 Ca 0.00 2.16 -0.30 0.00 0.00 0.00 0.00 51.96 53.82 1mfn s ALA 89 Cb 0.00 -1.26 -0.08 0.00 0.00 0.00 0.00 23.12 21.78 1mfn s ALA 89 CO 0.00 -0.35 1.11 0.95 0.00 0.00 0.00 175.76 177.47 1mfn s THR 90 N 0.86 3.71 1.04 0.00 -4.23 0.50 -4.84 115.64 112.69 1mfn s THR 90 Ca -0.04 1.55 -0.15 0.00 -1.18 0.00 0.00 61.69 61.88 1mfn s THR 90 Cb -0.05 -3.99 0.11 0.00 1.34 0.00 0.00 72.50 69.91 1mfn s THR 90 CO -0.07 0.30 0.39 0.52 -0.54 0.00 0.00 174.62 175.22 1mfn n VAL 91 N 1.99 0.00 -3.25 2.29 0.31 0.07 -1.48 118.33 118.26 1mfn n VAL 91 Ca 0.02 -0.25 -0.29 0.00 -0.01 0.00 0.00 64.34 63.81 1mfn n VAL 91 Cb 0.46 -0.70 -0.03 0.00 -0.91 0.00 0.00 33.84 32.66 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 -2.05 6.48 -0.21 4.52 0.15 -1.26 0.28 113.70 121.60 1mfn s SER 92 Ca 0.59 0.81 0.03 0.00 0.70 0.00 0.00 55.95 58.08 1mfn s SER 92 Cb -0.18 -2.19 -0.21 0.00 -1.71 0.00 0.00 66.02 61.74 1mfn s SER 92 CO 0.66 -0.23 0.00 0.47 1.20 0.00 0.00 173.24 175.35 1mfn n ASP 93 N -0.94 1.63 -4.76 5.45 9.92 -1.26 -4.62 116.55 121.97 1mfn n ASP 93 Ca -0.01 -0.01 -0.40 0.00 -0.53 0.00 0.00 54.79 53.85 1mfn n ASP 93 Cb 0.54 -0.27 -0.05 0.00 -0.64 0.00 0.00 41.12 40.70 1mfn n ASP 93 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1mfn s ILE 94 N -2.53 3.71 0.00 0.53 1.01 -1.26 -4.90 121.20 117.76 1mfn s ILE 94 Ca -0.26 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.05 1mfn s ILE 94 Cb 0.08 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.52 1mfn s ILE 94 CO 0.69 0.35 0.00 -0.81 0.00 0.00 0.00 174.94 175.17 1mfn n PRO 95 N 1.11 1.22 -3.54 2.79 -0.04 -1.26 -4.93 135.00 130.34 1mfn n PRO 95 Ca -0.01 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.38 1mfn n PRO 95 Cb 0.46 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.90 1mfn n PRO 95 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1mfn s ARG 96 N 0.12 0.63 -0.18 0.54 1.04 -1.26 -4.93 118.95 114.91 1mfn s ARG 96 Ca 0.00 -0.18 0.00 0.00 -1.04 0.00 0.00 55.73 54.51 1mfn s ARG 96 Cb 0.00 0.29 0.00 0.00 -2.04 0.00 0.00 34.95 33.20 1mfn s ARG 96 CO 0.00 -0.27 0.00 -3.47 -0.04 0.00 0.00 175.30 171.52 1mfn n ASP 97 N -0.06 -2.03 -4.55 -2.89 2.03 -1.26 0.22 116.55 108.01 1mfn n ASP 97 Ca -0.06 0.01 -0.35 0.00 0.52 0.00 0.00 54.79 54.92 1mfn n ASP 97 Cb 0.60 -0.91 -0.03 0.00 -0.72 0.00 0.00 41.12 40.05 1mfn n ASP 97 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1mfn s LEU 98 N -0.53 3.37 0.15 -2.67 0.20 -1.25 -4.39 118.68 113.57 1mfn s LEU 98 Ca 0.00 1.01 0.00 0.00 0.69 0.00 0.00 54.13 55.83 1mfn s LEU 98 Cb 0.00 -2.50 -0.04 0.00 -0.43 0.00 0.00 46.19 43.21 1mfn s LEU 98 CO 0.00 -2.94 0.04 -1.83 -0.29 0.00 0.00 176.35 171.33 1mfn s GLU 99 N 8.30 1.02 0.08 1.98 -1.05 -1.03 -4.89 118.70 123.10 1mfn s GLU 99 Ca 0.97 -1.49 -0.06 0.00 -0.15 0.00 0.00 54.97 54.24 1mfn s GLU 99 Cb -0.17 0.05 -0.05 0.00 -0.44 0.00 0.00 34.13 33.52 1mfn s GLU 99 CO 0.25 -0.22 0.33 0.54 0.95 0.00 0.00 175.26 177.10 1mfn s VAL 100 N -3.91 5.22 0.00 1.83 0.11 -1.26 -1.49 120.40 120.90 1mfn s VAL 100 Ca 0.25 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 1mfn s VAL 100 Cb 0.07 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 1mfn s VAL 100 CO 0.03 0.20 0.17 2.30 -3.33 0.00 0.00 175.10 174.48 1mfn n ILE 101 N 0.61 0.00 -3.30 7.04 -5.35 -0.00 -4.97 119.36 113.39 1mfn n ILE 101 Ca -0.07 -0.30 -0.07 0.00 -0.27 0.00 0.00 62.75 62.04 1mfn n ILE 101 Cb 0.52 1.23 -0.06 0.00 -1.74 0.00 0.00 39.64 39.59 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 -0.26 -1.34 -0.79 -1.28 0.00 -1.26 -4.92 121.76 111.92 1mfn s ALA 102 Ca 0.00 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 52.55 1mfn s ALA 102 Cb 0.00 -1.95 0.21 0.00 0.00 0.00 0.00 23.12 21.38 1mfn s ALA 102 CO 0.00 -1.51 0.72 -1.12 0.00 0.00 0.00 175.76 173.85 1mfn s SER 103 N 2.59 6.61 0.62 0.00 0.01 -1.26 -0.42 113.70 121.86 1mfn s SER 103 Ca 0.12 -2.61 -0.08 0.00 1.31 0.00 0.00 55.95 54.68 1mfn s SER 103 Cb -0.14 -2.19 -0.00 0.00 0.21 0.00 0.00 66.02 63.90 1mfn s SER 103 CO -0.23 -0.59 0.97 0.42 0.41 0.00 0.00 173.24 174.22 1mfn s THR 104 N 0.29 3.94 -1.79 1.44 -4.23 0.23 -4.92 115.64 110.60 1mfn s THR 104 Ca 0.16 0.33 0.14 0.00 -1.18 0.00 0.00 61.69 61.14 1mfn s THR 104 Cb -0.13 -3.58 0.35 0.00 1.34 0.00 0.00 72.50 70.48 1mfn s THR 104 CO -0.07 -0.68 1.32 -0.81 -0.54 0.00 0.00 174.62 173.84 1mfn n PRO 105 N -2.71 0.36 -0.13 3.99 -0.04 -1.26 -2.74 135.00 132.47 1mfn n PRO 105 Ca 0.05 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 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 -1.11 0.00 -3.61 0.52 -2.24 -1.26 -4.35 114.28 102.23 1mfn n THR 106 Ca 0.09 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1mfn n THR 106 Cb 0.07 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.16 -0.22 0.04 3.42 1.04 -1.11 -2.87 113.70 113.85 1mfn s SER 107 Ca 0.00 -0.15 -0.00 0.00 0.48 0.00 0.00 55.95 56.28 1mfn s SER 107 Cb 0.00 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 1mfn s SER 107 CO 0.00 -0.58 -0.04 -0.76 0.98 0.00 0.00 173.24 172.84 1mfn s LEU 108 N -2.65 2.38 -0.30 2.42 1.43 -0.76 0.78 118.68 121.99 1mfn s LEU 108 Ca 0.09 -0.78 -0.09 0.00 -1.03 0.00 0.00 54.13 52.33 1mfn s LEU 108 Cb -0.00 0.10 -0.01 0.00 0.03 0.00 0.00 46.19 46.31 1mfn s LEU 108 CO -0.04 -0.44 0.12 -0.76 0.23 0.00 0.00 176.35 175.47 1mfn s LEU 109 N -2.27 3.94 -0.04 1.79 1.43 0.44 -0.63 118.68 123.34 1mfn s LEU 109 Ca -0.02 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.51 1mfn s LEU 109 Cb -0.01 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1mfn s LEU 109 CO -0.05 -0.17 0.20 0.27 0.23 0.00 0.00 176.35 176.84 1mfn s ILE 110 N 1.59 5.40 -0.02 -0.59 -4.36 0.00 -0.82 121.20 122.41 1mfn s ILE 110 Ca 0.04 0.09 -0.00 0.00 -0.26 0.00 0.00 60.65 60.52 1mfn s ILE 110 Cb -0.17 -3.51 0.03 0.00 1.25 0.00 0.00 42.46 40.06 1mfn s ILE 110 CO 0.05 0.44 0.03 -0.94 0.24 0.00 0.00 174.94 174.76 1mfn s SER 111 N -1.55 0.05 0.05 4.36 1.04 -0.55 -0.30 113.70 116.80 1mfn s SER 111 Ca 0.23 0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.74 1mfn s SER 111 Cb -0.13 -0.04 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 1mfn s SER 111 CO 0.13 -0.12 -0.08 -1.66 0.98 0.00 0.00 173.24 172.50 1mfn s TRP 112 N 0.96 0.72 0.39 5.02 -2.14 0.16 -2.46 118.94 121.59 1mfn s TRP 112 Ca -0.08 -0.57 -0.26 0.00 2.66 0.00 0.00 56.10 57.85 1mfn s TRP 112 Cb -0.11 -0.43 -0.11 0.00 -3.10 0.00 0.00 33.47 29.72 1mfn s TRP 112 CO -0.03 -0.09 1.28 0.39 -2.66 0.00 0.00 176.95 175.84 1mfn n GLU 113 N 1.20 2.02 -2.61 3.25 1.02 0.13 -4.64 120.64 121.01 1mfn n GLU 113 Ca -0.21 0.71 -0.43 0.00 -0.02 0.00 0.00 57.16 57.22 1mfn n GLU 113 Cb 0.56 -2.37 -0.02 0.00 -0.02 0.00 0.00 31.44 29.58 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 -2.09 4.15 0.21 3.49 0.04 -1.26 -4.22 135.00 135.32 1mfn s PRO 114 Ca 0.59 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 1mfn s PRO 114 Cb -0.53 -3.71 -0.08 0.00 0.04 0.00 0.00 34.50 30.22 1mfn s PRO 114 CO 0.60 -0.79 1.01 -1.25 0.04 0.00 0.00 177.00 176.60 1mfn s PRO 115 N 3.49 4.73 -0.77 0.56 0.04 -1.26 -4.90 135.00 136.89 1mfn s PRO 115 Ca 0.46 1.59 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 1mfn s PRO 115 Cb -0.14 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1mfn s PRO 115 CO 0.12 0.31 1.97 0.00 0.04 0.00 0.00 177.00 179.44 1mfn n ALA 116 N 1.88 4.22 -2.88 8.56 0.00 -1.26 -4.75 120.51 126.28 1mfn n ALA 116 Ca -0.00 -1.71 -0.10 0.00 0.00 0.00 0.00 53.44 51.63 1mfn n ALA 116 Cb 0.47 -2.91 -0.09 0.00 0.00 0.00 0.00 19.45 16.92 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 3.55 0.11 -1.09 0.00 -7.23 -1.26 -4.39 120.40 110.09 1mfn s VAL 117 Ca 0.34 -0.89 -0.19 0.00 -1.81 0.00 0.00 61.98 59.43 1mfn s VAL 117 Cb 0.09 -0.85 0.09 0.00 0.56 0.00 0.00 36.38 36.27 1mfn s VAL 117 CO -0.03 -0.49 1.44 -0.44 -0.31 0.00 0.00 175.10 175.27 1mfn s SER 118 N -2.00 6.70 -0.04 4.85 0.01 -1.26 -4.98 113.70 116.98 1mfn s SER 118 Ca -0.06 -2.06 -0.30 0.00 1.31 0.00 0.00 55.95 54.84 1mfn s SER 118 Cb -0.02 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1mfn s SER 118 CO -0.03 -1.21 1.22 -0.69 0.41 0.00 0.00 173.24 172.93 1mfn s VAL 119 N 3.75 4.19 -0.02 3.43 1.01 -1.26 -4.73 120.40 126.77 1mfn s VAL 119 Ca 0.44 1.53 -0.22 0.00 0.00 0.00 0.00 61.98 63.73 1mfn s VAL 119 Cb -0.01 -3.98 -0.22 0.00 0.00 0.00 0.00 36.38 32.17 1mfn s VAL 119 CO -0.04 0.01 1.10 0.08 0.00 0.00 0.00 175.10 176.25 1mfn h ARG 120 N 7.42 0.30 -2.28 2.72 0.11 -1.92 -3.46 114.38 117.27 1mfn h ARG 120 Ca -0.35 -0.29 0.15 0.00 0.10 0.00 0.00 59.98 59.59 1mfn h ARG 120 Cb 1.17 0.08 -0.11 0.00 1.11 0.00 0.00 29.97 32.21 1mfn h ARG 120 CO 0.87 0.98 0.50 1.52 0.10 0.00 0.00 179.97 183.94 1mfn s TYR 121 N -3.31 -0.22 -0.01 4.08 1.13 -1.07 -4.23 117.35 113.72 1mfn s TYR 121 Ca -0.14 -0.00 0.06 0.00 -1.41 0.00 0.00 57.07 55.57 1mfn s TYR 121 Cb 0.03 0.59 -0.01 0.00 -1.10 0.00 0.00 41.96 41.46 1mfn s TYR 121 CO 0.78 -0.68 -0.18 0.71 -2.51 0.00 0.00 175.55 173.66 1mfn s TYR 122 N -3.18 1.64 -0.43 -3.49 1.51 -0.97 0.12 117.35 112.55 1mfn s TYR 122 Ca 0.09 -0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 55.81 1mfn s TYR 122 Cb -0.01 -1.05 0.12 0.00 -0.11 0.00 0.00 41.96 40.91 1mfn s TYR 122 CO -0.03 -0.02 0.23 -0.98 -1.11 0.00 0.00 175.55 173.64 1mfn s ARG 123 N -0.49 2.06 0.33 -0.62 1.70 -1.06 0.23 118.95 121.10 1mfn s ARG 123 Ca 0.07 -1.90 -0.03 0.00 -0.47 0.00 0.00 55.73 53.39 1mfn s ARG 123 Cb -0.07 -3.60 -0.04 0.00 -0.57 0.00 0.00 34.95 30.67 1mfn s ARG 123 CO -0.01 -1.08 0.58 0.42 -1.08 0.00 0.00 175.30 174.13 1mfn s ILE 124 N 1.01 5.03 -0.07 4.99 1.01 -0.32 -1.82 121.20 131.03 1mfn s ILE 124 Ca 0.09 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.71 1mfn s ILE 124 Cb -0.23 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 1mfn s ILE 124 CO -0.04 -0.45 -0.17 0.42 0.00 0.00 0.00 174.94 174.70 1mfn s THR 125 N -2.22 2.74 0.36 2.92 -4.23 0.36 0.92 115.64 116.48 1mfn s THR 125 Ca 0.43 -0.82 -0.26 0.00 -1.18 0.00 0.00 61.69 59.86 1mfn s THR 125 Cb -0.10 -2.07 -0.09 0.00 1.34 0.00 0.00 72.50 71.57 1mfn s THR 125 CO 0.33 0.57 1.08 -0.31 -0.54 0.00 0.00 174.62 175.75 1mfn s TYR 126 N -0.26 3.34 -0.64 3.99 1.51 0.55 -2.17 117.35 123.68 1mfn s TYR 126 Ca 0.01 1.65 -0.09 0.00 -1.01 0.00 0.00 57.07 57.63 1mfn s TYR 126 Cb -0.13 -3.22 0.16 0.00 -0.11 0.00 0.00 41.96 38.66 1mfn s TYR 126 CO 0.03 -0.71 0.52 0.20 -1.11 0.00 0.00 175.55 174.48 1mfn s GLY 127 N -1.26 2.38 -0.09 0.71 0.00 0.54 -2.22 107.32 107.38 1mfn s GLY 127 Ca 0.53 -3.00 -0.02 0.00 0.00 0.00 0.00 44.72 42.22 1mfn s GLY 127 CO 0.34 1.16 0.01 -0.54 0.00 0.00 0.00 173.10 174.07 1mfn s GLU 128 N 0.57 3.07 0.00 2.90 2.02 -1.26 0.12 118.70 126.12 1mfn s GLU 128 Ca 0.13 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.72 1mfn s GLU 128 Cb -0.20 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.20 1mfn s GLU 128 CO -0.04 0.67 0.00 0.25 0.02 0.00 0.00 175.26 176.16 1mfn n THR 129 N 2.26 0.00 -2.57 3.63 -2.24 -1.11 -4.68 114.28 109.56 1mfn n THR 129 Ca -0.19 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.25 1mfn n THR 129 Cb 0.54 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 3.00 5.86 0.00 3.38 0.00 -1.26 -4.84 105.19 111.32 1mfn n GLY 130 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.26 1.35 1.11 -0.02 0.00 -1.26 -4.99 105.19 101.12 1mfn n GLY 131 Ca 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.50 -0.40 0.00 1.61 6.94 -1.26 -5.15 115.26 116.50 1mfn n ASN 132 Ca 0.00 -0.94 0.00 0.00 -0.02 0.00 0.00 54.58 53.62 1mfn n ASN 132 Cb 0.00 0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 1mfn n ASN 132 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1mfn n SER 133 N -0.19 0.00 -2.80 0.53 7.64 -1.26 -5.16 113.62 112.38 1mfn n SER 133 Ca -0.08 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.68 1mfn n SER 133 Cb 0.48 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.77 1mfn n SER 133 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1mfn n PRO 134 N -0.68 -0.82 -1.56 1.43 -0.04 -1.26 -4.87 135.00 127.20 1mfn n PRO 134 Ca 0.00 -0.80 -0.38 0.00 -0.04 0.00 0.00 63.50 62.28 1mfn n PRO 134 Cb 0.00 -0.57 0.05 0.00 -0.04 0.00 0.00 33.50 32.93 1mfn n PRO 134 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1mfn n VAL 135 N -2.90 3.18 -3.67 0.52 0.24 -1.26 -4.79 118.33 109.65 1mfn n VAL 135 Ca 0.07 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.48 1mfn n VAL 135 Cb 0.23 -0.97 -0.12 0.00 -1.47 0.00 0.00 33.84 31.52 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 -2.51 3.14 -0.10 7.34 0.74 -0.94 -4.68 119.66 122.65 1mfn s GLN 136 Ca 0.73 -0.85 -0.25 0.00 0.05 0.00 0.00 55.36 55.04 1mfn s GLN 136 Cb -0.43 -3.56 -0.02 0.00 1.10 0.00 0.00 33.01 30.09 1mfn s GLN 136 CO 0.50 -0.50 0.81 -1.83 -0.55 0.00 0.00 175.29 173.72 1mfn s GLU 137 N 1.57 4.39 -0.02 1.67 -1.05 -1.26 0.20 118.70 124.20 1mfn s GLU 137 Ca 0.03 1.04 0.03 0.00 -0.15 0.00 0.00 54.97 55.92 1mfn s GLU 137 Cb -0.18 -3.51 -0.00 0.00 -0.44 0.00 0.00 34.13 30.00 1mfn s GLU 137 CO 0.05 -0.15 -0.11 -0.59 0.95 0.00 0.00 175.26 175.42 1mfn s PHE 138 N 1.49 1.06 0.65 4.83 -0.12 0.26 -4.94 117.98 121.21 1mfn s PHE 138 Ca 0.40 -0.26 -0.13 0.00 -0.05 0.00 0.00 56.93 56.90 1mfn s PHE 138 Cb -0.18 -0.73 -0.01 0.00 -0.63 0.00 0.00 43.02 41.47 1mfn s PHE 138 CO 0.17 -0.09 1.06 0.95 -0.05 0.00 0.00 175.22 177.26 1mfn s THR 139 N 0.07 3.94 -0.12 -4.49 -4.23 -1.26 -1.17 115.64 108.39 1mfn s THR 139 Ca -0.01 0.76 0.03 0.00 -1.18 0.00 0.00 61.69 61.29 1mfn s THR 139 Cb -0.08 -3.40 0.01 0.00 1.34 0.00 0.00 72.50 70.37 1mfn s THR 139 CO 0.00 -0.70 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.49 1mfn s VAL 140 N -2.78 1.90 0.00 2.29 1.01 0.62 -4.86 120.40 118.58 1mfn s VAL 140 Ca 0.60 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1mfn s VAL 140 Cb -0.15 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1mfn s VAL 140 CO 0.46 0.52 2.23 -0.81 0.00 0.00 0.00 175.10 177.51 1mfn n PRO 141 N 3.89 1.15 -2.39 2.72 -0.04 -1.26 -2.30 135.00 136.77 1mfn n PRO 141 Ca -0.20 -0.20 -0.06 0.00 -0.04 0.00 0.00 63.50 63.00 1mfn n PRO 141 Cb 0.52 -1.23 -0.01 0.00 -0.04 0.00 0.00 33.50 32.74 1mfn n PRO 141 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mfn n GLY 142 N 1.74 -0.37 0.33 0.55 0.00 -1.26 -4.67 105.19 101.50 1mfn n GLY 142 Ca 0.09 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1mfn n GLY 142 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1mfn h SER 143 N -0.13 0.61 0.00 1.61 0.02 -1.88 -3.46 113.55 110.32 1mfn h SER 143 Ca -0.09 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1mfn h SER 143 Cb 0.83 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1mfn h SER 143 CO 0.13 0.18 0.00 2.29 -1.14 0.00 0.00 176.83 178.29 1mfn n LYS 144 N -4.87 -0.89 0.00 3.45 2.85 -1.26 -4.96 118.16 112.48 1mfn n LYS 144 Ca 0.22 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.57 1mfn n LYS 144 Cb 0.58 0.00 0.48 0.00 -0.65 0.00 0.00 35.03 35.44 1mfn n LYS 144 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1mfn n SER 145 N 0.07 0.00 -4.15 -5.58 7.64 -1.26 -4.61 113.62 105.73 1mfn n SER 145 Ca 0.00 -0.10 -0.28 0.00 1.01 0.00 0.00 58.87 59.50 1mfn n SER 145 Cb 0.00 -0.23 -0.16 0.00 -1.01 0.00 0.00 64.21 62.81 1mfn n SER 145 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1mfn s THR 146 N -2.45 1.60 0.41 0.44 -4.23 -1.26 0.39 115.64 110.54 1mfn s THR 146 Ca 0.19 -0.79 0.07 0.00 -1.18 0.00 0.00 61.69 59.99 1mfn s THR 146 Cb 0.12 -1.38 -0.07 0.00 1.34 0.00 0.00 72.50 72.51 1mfn s THR 146 CO 0.27 0.46 0.08 0.00 -0.54 0.00 0.00 174.62 174.88 1mfn s ALA 147 N 0.20 3.33 0.34 3.99 0.00 0.59 -4.85 121.76 125.36 1mfn s ALA 147 Ca -0.09 -2.23 0.06 0.00 0.00 0.00 0.00 51.96 49.70 1mfn s ALA 147 Cb -0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1mfn s ALA 147 CO 0.04 -0.13 0.48 -0.08 0.00 0.00 0.00 175.76 176.07 1mfn s THR 148 N -2.66 4.22 -0.40 0.00 -1.32 -1.26 -0.82 115.64 113.40 1mfn s THR 148 Ca 0.37 -0.94 0.09 0.00 -1.21 0.00 0.00 61.69 60.01 1mfn s THR 148 Cb 0.07 -3.48 0.29 0.00 -1.51 0.00 0.00 72.50 67.88 1mfn s THR 148 CO 0.20 -0.20 0.67 -0.38 -2.21 0.00 0.00 174.62 172.70 1mfn n ILE 149 N -1.66 -0.39 0.00 5.08 2.08 0.20 -4.84 119.36 119.82 1mfn n ILE 149 Ca -0.01 -3.76 0.00 0.00 0.56 0.00 0.00 62.75 59.54 1mfn n ILE 149 Cb 0.58 -0.76 0.00 0.00 -0.75 0.00 0.00 39.64 38.71 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 0.97 0.00 -2.02 4.38 3.02 -1.26 -1.82 115.26 118.53 1mfn n ASN 150 Ca 0.20 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.68 1mfn n ASN 150 Cb 0.60 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.75 1mfn n ASN 150 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1mfn n ASN 151 N 0.00 -2.48 -4.93 6.41 2.85 -1.18 -4.78 115.26 111.15 1mfn n ASN 151 Ca 0.00 0.27 -0.25 0.00 -0.11 0.00 0.00 54.58 54.49 1mfn n ASN 151 Cb 0.00 -2.28 -0.00 0.00 1.24 0.00 0.00 39.78 38.74 1mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1mfn s ILE 152 N -2.11 4.87 -0.11 -1.44 2.07 -1.14 -5.06 121.20 118.29 1mfn s ILE 152 Ca 0.00 -0.29 0.03 0.00 -1.41 0.00 0.00 60.65 58.98 1mfn s ILE 152 Cb 0.00 -3.80 0.01 0.00 0.13 0.00 0.00 42.46 38.80 1mfn s ILE 152 CO 0.00 -0.60 -0.20 -0.54 -1.91 0.00 0.00 174.94 171.69 1mfn s LYS 153 N -4.48 2.64 0.56 3.50 -0.14 -1.26 -4.73 119.74 115.84 1mfn s LYS 153 Ca 0.43 -0.73 -0.15 0.00 -1.36 0.00 0.00 55.97 54.17 1mfn s LYS 153 Cb -0.10 -2.10 -0.06 0.00 -1.68 0.00 0.00 37.83 33.90 1mfn s LYS 153 CO 0.39 0.05 1.01 -1.25 -0.76 0.00 0.00 175.35 174.79 1mfn s PRO 154 N 0.66 3.70 0.00 -1.68 0.04 -1.26 -4.56 135.00 131.90 1mfn s PRO 154 Ca -0.12 0.96 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1mfn s PRO 154 Cb -0.16 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1mfn s PRO 154 CO 0.03 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.00 1mfn n GLY 155 N -1.71 0.37 0.00 0.56 0.00 -1.24 -5.04 105.19 98.13 1mfn n GLY 155 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1mfn n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfn n ALA 156 N -1.15 0.00 -0.75 4.61 0.00 -1.24 -4.99 120.51 117.00 1mfn n ALA 156 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1mfn n ALA 156 Cb 0.46 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.05 1mfn n ALA 156 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mfn n ASP 157 N 0.00 -2.37 -2.27 0.00 -0.08 -1.26 -2.30 116.55 108.27 1mfn n ASP 157 Ca 0.00 0.10 -0.10 0.00 -1.51 0.00 0.00 54.79 53.28 1mfn n ASP 157 Cb 0.00 -1.06 -0.03 0.00 2.34 0.00 0.00 41.12 42.37 1mfn n ASP 157 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1mfn n TYR 158 N -3.96 -0.83 -3.75 -0.67 4.02 0.66 -2.74 117.16 109.90 1mfn n TYR 158 Ca 0.03 -1.54 -0.06 0.00 -0.01 0.00 0.00 57.90 56.32 1mfn n TYR 158 Cb 0.58 0.27 -0.02 0.00 -0.02 0.00 0.00 39.34 40.16 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 -2.72 0.00 -0.17 -0.72 2.01 0.32 -2.31 115.64 112.04 1mfn s THR 159 Ca 0.20 -0.70 -0.14 0.00 0.31 0.00 0.00 61.69 61.37 1mfn s THR 159 Cb 0.00 -1.82 0.05 0.00 0.01 0.00 0.00 72.50 70.75 1mfn s THR 159 CO 0.14 0.00 0.45 -0.63 -0.69 0.00 0.00 174.62 173.89 1mfn s ILE 160 N -3.61 -0.01 -0.02 1.82 1.01 -1.02 0.20 121.20 119.57 1mfn s ILE 160 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.78 1mfn s ILE 160 Cb -0.03 -0.64 0.02 0.00 0.01 0.00 0.00 42.46 41.82 1mfn s ILE 160 CO 0.02 0.01 0.01 -0.89 0.00 0.00 0.00 174.94 174.09 1mfn s THR 161 N 0.69 0.08 -0.03 2.92 2.01 -0.92 0.96 115.64 121.35 1mfn s THR 161 Ca -0.04 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.12 1mfn s THR 161 Cb -0.05 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 1mfn s THR 161 CO -0.05 0.11 -0.15 -1.48 -0.69 0.00 0.00 174.62 172.36 1mfn s LEU 162 N 0.90 2.70 -0.62 4.42 0.05 -0.40 0.14 118.68 125.86 1mfn s LEU 162 Ca -0.08 -0.25 0.06 0.00 0.05 0.00 0.00 54.13 53.90 1mfn s LEU 162 Cb -0.12 -1.55 0.23 0.00 -2.05 0.00 0.00 46.19 42.70 1mfn s LEU 162 CO -0.02 0.32 0.66 -1.22 -0.55 0.00 0.00 176.35 175.54 1mfn n TYR 163 N 2.12 3.05 -1.72 3.48 4.02 -0.76 -2.14 117.16 125.21 1mfn n TYR 163 Ca -0.17 -4.11 -0.61 0.00 -0.01 0.00 0.00 57.90 53.01 1mfn n TYR 163 Cb 0.52 -0.53 -0.08 0.00 -0.02 0.00 0.00 39.34 39.23 1mfn n TYR 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1mfn n ALA 164 N 1.20 -0.56 -2.65 -0.72 0.00 -1.26 -2.56 120.51 113.95 1mfn n ALA 164 Ca 0.27 0.42 -0.37 0.00 0.00 0.00 0.00 53.44 53.76 1mfn n ALA 164 Cb 0.41 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.64 1mfn n ALA 164 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mfn s VAL 165 N 3.37 5.32 -0.12 0.00 1.01 0.33 -3.53 120.40 126.78 1mfn s VAL 165 Ca 1.00 0.28 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1mfn s VAL 165 Cb -1.20 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 31.61 1mfn s VAL 165 CO 0.71 0.31 -0.14 0.42 0.00 0.00 0.00 175.10 176.40 1mfn s THR 166 N 1.21 2.98 0.72 3.92 -4.23 0.59 -2.60 115.64 118.22 1mfn s THR 166 Ca 0.10 -0.69 -0.13 0.00 -1.18 0.00 0.00 61.69 59.78 1mfn s THR 166 Cb -0.14 -2.24 0.03 0.00 1.34 0.00 0.00 72.50 71.49 1mfn s THR 166 CO 0.06 0.53 1.10 -0.83 -0.54 0.00 0.00 174.62 174.95 1mfn s GLY 167 N 0.26 1.93 0.00 3.99 0.00 -1.26 0.25 107.32 112.50 1mfn s GLY 167 Ca -0.10 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1mfn s GLY 167 CO 0.06 0.78 0.63 0.54 0.00 0.00 0.00 173.10 175.10 1mfn n ARG 168 N -2.95 0.00 0.00 2.90 5.12 -1.04 -4.67 116.66 116.02 1mfn n ARG 168 Ca 0.10 -0.62 0.00 0.00 -1.93 0.00 0.00 57.85 55.40 1mfn n ARG 168 Cb 0.52 -0.48 0.00 0.00 -1.16 0.00 0.00 32.46 31.35 1mfn n ARG 168 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mfn n GLY 169 N 0.00 0.60 0.00 -0.13 0.00 -1.26 -4.54 105.19 99.86 1mfn n GLY 169 Ca 0.00 -1.17 0.12 0.00 0.00 0.00 0.00 46.02 44.97 1mfn n GLY 169 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mfn n ASP 170 N 0.00 0.00 -3.64 1.61 9.92 -1.26 -4.62 116.55 118.56 1mfn n ASP 170 Ca 0.00 -0.61 -0.04 0.00 -0.53 0.00 0.00 54.79 53.61 1mfn n ASP 170 Cb 0.00 -0.05 -0.05 0.00 -0.64 0.00 0.00 41.12 40.37 1mfn n ASP 170 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1mfn s SER 171 N -2.10 -1.02 0.89 -2.24 0.01 -1.26 -5.17 113.70 102.82 1mfn s SER 171 Ca 0.33 1.50 0.00 0.00 1.31 0.00 0.00 55.95 59.09 1mfn s SER 171 Cb 0.16 1.82 0.00 0.00 0.21 0.00 0.00 66.02 68.21 1mfn s SER 171 CO 0.29 -0.22 0.00 -0.81 0.41 0.00 0.00 173.24 172.90 1mfn n PRO 172 N 4.85 -0.24 -3.73 12.44 -0.04 -1.26 -2.50 135.00 144.52 1mfn n PRO 172 Ca -0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 1mfn n PRO 172 Cb 0.54 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.96 1mfn n PRO 172 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mfn s ALA 173 N -3.62 -0.91 -0.22 0.55 0.00 0.71 -4.61 121.76 113.66 1mfn s ALA 173 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 1mfn s ALA 173 Cb 0.00 0.84 0.11 0.00 0.00 0.00 0.00 23.12 24.07 1mfn s ALA 173 CO 0.00 -0.79 0.26 -1.54 0.00 0.00 0.00 175.76 173.70 1mfn s SER 174 N -2.87 1.18 0.71 0.00 1.04 -1.26 0.22 113.70 112.72 1mfn s SER 174 Ca 0.09 -0.19 -0.02 0.00 0.48 0.00 0.00 55.95 56.30 1mfn s SER 174 Cb -0.01 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.70 1mfn s SER 174 CO -0.04 -0.33 0.08 -1.54 0.98 0.00 0.00 173.24 172.40 1mfn n SER 175 N 5.33 -1.59 -4.77 7.02 3.41 -1.23 -4.85 113.62 116.94 1mfn n SER 175 Ca -0.05 -0.08 -0.38 0.00 -0.26 0.00 0.00 58.87 58.10 1mfn n SER 175 Cb 0.49 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.31 1mfn n SER 175 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1mfn s LYS 176 N -2.22 3.89 -0.00 4.33 2.20 -1.26 -4.82 119.74 121.86 1mfn s LYS 176 Ca 0.06 1.87 -0.30 0.00 -0.36 0.00 0.00 55.97 57.25 1mfn s LYS 176 Cb -0.01 -2.57 -0.04 0.00 -1.51 0.00 0.00 37.83 33.71 1mfn s LYS 176 CO 0.05 -0.47 1.07 -1.25 -0.36 0.00 0.00 175.35 174.39 1mfn s PRO 177 N -2.47 4.48 -0.22 4.03 0.04 -1.26 -4.84 135.00 134.77 1mfn s PRO 177 Ca 0.60 1.54 -0.15 0.00 0.04 0.00 0.00 61.00 63.04 1mfn s PRO 177 Cb -0.31 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 1mfn s PRO 177 CO 0.39 -0.19 0.36 0.08 0.04 0.00 0.00 177.00 177.68 1mfn s VAL 178 N 1.29 5.22 0.06 -0.36 1.01 -0.91 -4.84 120.40 121.86 1mfn s VAL 178 Ca 0.54 0.60 0.07 0.00 0.00 0.00 0.00 61.98 63.19 1mfn s VAL 178 Cb -0.23 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1mfn s VAL 178 CO 0.26 0.25 -0.16 -0.94 0.00 0.00 0.00 175.10 174.51 1mfn s SER 179 N 1.16 3.99 0.00 3.32 1.04 -1.26 -1.27 113.70 120.68 1mfn s SER 179 Ca 0.16 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1mfn s SER 179 Cb -0.15 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.30 1mfn s SER 179 CO 0.08 0.23 0.00 2.30 0.98 0.00 0.00 173.24 176.83 1mfn n ILE 180 N 1.28 0.00 -4.42 -1.02 -5.35 0.27 -4.96 119.36 105.16 1mfn n ILE 180 Ca -0.16 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.12 1mfn n ILE 180 Cb 0.52 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.32 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 0.02 2.68 -0.28 7.28 -0.87 -1.26 -2.44 114.94 120.06 1mfn s ASN 181 Ca 0.00 -1.19 -0.19 0.00 -1.57 0.00 0.00 52.86 49.91 1mfn s ASN 181 Cb 0.00 -0.15 0.11 0.00 -0.02 0.00 0.00 41.25 41.19 1mfn s ASN 181 CO 0.00 -0.36 0.87 -0.47 -2.57 0.00 0.00 177.10 174.57 1mfn s TYR 182 N -3.05 -0.74 -0.19 2.20 5.04 -0.98 -4.76 117.35 114.88 1mfn s TYR 182 Ca 0.29 1.55 -0.08 0.00 -2.44 0.00 0.00 57.07 56.40 1mfn s TYR 182 Cb 0.04 0.43 -0.04 0.00 0.35 0.00 0.00 41.96 42.74 1mfn s TYR 182 CO 0.12 -0.36 0.07 0.15 -1.34 0.00 0.00 175.55 174.18 1mfn s LYS 183 N 1.14 4.00 0.00 4.97 -0.14 -1.26 0.24 119.74 128.69 1mfn s LYS 183 Ca -0.06 -0.33 0.21 0.00 -1.36 0.00 0.00 55.97 54.43 1mfn s LYS 183 Cb -0.04 -3.24 0.16 0.00 -1.68 0.00 0.00 37.83 33.03 1mfn s LYS 183 CO -0.13 0.27 1.16 0.25 -0.76 0.00 0.00 175.35 176.14